| 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 | 45.9 | Very low | 56.1 | Low | 244 Ų | 244 | 112.9 Ų | 112.9 | 100% | 1.202 | 60% | 0.596 | S | S | * | * | 0 | 40.8 | 0 | -69.3 | -178.1 | 170.4 | 0 | 0 | 112.8 | |||||
| 2 | G | 45.5 | Very low | 56.7 | Low | 51 Ų | 51 | 117.3 Ų | 117.3 | 53% | 0.526 | 60% | 0.599 | S | S | . | * | trans | -110.4 | -9.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 3 | G | 49.3 | Very low | 57.5 | Low | 51 Ų | 51 | 118.8 Ų | 118.8 | 53% | 0.526 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -73.3 | -33.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | N6 L7 | G3-N6 PolarHBondContact O-N 3.28Å; G3-L7 PolarHBondContact O-N 3.17Å; G3-L7 VanDerWaalsContact O-N 3.14Å |
| 4 | D | 54.9 | Low | 58.3 | Low | 96 Ų | 96 | 114.6 Ų | 114.6 | 51% | 0.513 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -75.4 | -34.2 | -175.6 | -167.4 | 33.2 | 0 | 0 | 0 | 112.4 | K8 | D4-K8 WeakPolarHBondContact O-CG 3.38Å; D4-K8 PolarHBondContact O-N 2.83Å; D4-K8 VanDerWaalsContact OD2-CE 3.32Å; D4-K8 WeakPolarHBondContact OD2-CE 3.47Å; D4-K8 IonicContact OD2-NZ 3.97Å; D4-K8 PolarHBondContact OD2-NZ 3.26Å |
| 5 | E | 53.8 | Low | 58.9 | Low | 138 Ų | 138 | 108.5 Ų | 108.5 | 65% | 0.645 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.4 | -40.3 | 172.6 | -72.6 | -168.1 | 155.3 | 0 | 0 | 111.7 | L7 K8 L9 | E5-L7 VanDerWaalsContact C-N 3.34Å; E5-L7 PolarHBondContact O-N 3.03Å; E5-K8 PolarHBondContact O-N 3.24Å; E5-L9 WeakPolarHBondContact O-CB 3.28Å; E5-L9 PolarHBondContact O-N 3.46Å |
| 6 | N | 66.3 | Low | 59.3 | Low | 102 Ų | 102 | 106.8 Ų | 106.8 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.7 | -36.1 | -179.7 | -138.9 | -6 | 0 | 0 | 0 | 111.7 | G3 K10 | G3-N6 PolarHBondContact O-N 3.28Å; N6-K10 WeakPolarHBondContact O-CG 3.41Å; N6-K10 PolarHBondContact O-N 2.89Å |
| 7 | L | 55.7 | Low | 59.7 | Low | 93 Ų | 93 | 104.9 Ų | 104.9 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.2 | -51.6 | 170.2 | -78.4 | 163.3 | 0 | 0 | 0 | 111.1 | G3 E5 L9 K10 F11 | G3-L7 PolarHBondContact O-N 3.17Å; G3-L7 VanDerWaalsContact O-N 3.14Å; E5-L7 VanDerWaalsContact C-N 3.34Å; E5-L7 PolarHBondContact O-N 3.03Å; L7-L9 VanDerWaalsContact C-N 3.26Å; L7-L9 PolarHBondContact O-N 3.14Å; L7-K10 PolarHBondContact O-N 2.99Å; L7-F11 HydrophobicContact CB-CD2 4.39Å; L7-F11 HydrophobicContact CB-CE2 4.3Å; L7-F11 HydrophobicContact CD2-CE2 4.23Å; L7-F11 WeakPolarHBondContact O-CD2 3.41Å; L7-F11 PolarHBondContact O-N 3.2Å |
| 8 | K | 57.9 | Low | 60 | Low | 119 Ų | 119 | 100.7 Ų | 100.7 | 52% | 0.517 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.2 | -40.2 | 177.2 | -73.9 | 169.6 | -171.2 | 157.2 | 0 | 112.1 | D4 E5 F11 R12 | D4-K8 WeakPolarHBondContact O-CG 3.38Å; D4-K8 PolarHBondContact O-N 2.83Å; D4-K8 VanDerWaalsContact OD2-CE 3.32Å; D4-K8 WeakPolarHBondContact OD2-CE 3.47Å; D4-K8 IonicContact OD2-NZ 3.97Å; D4-K8 PolarHBondContact OD2-NZ 3.26Å; E5-K8 PolarHBondContact O-N 3.24Å; K8-F11 PolarHBondContact O-N 3.2Å; K8-R12 WeakPolarHBondContact O-CB 3.02Å; K8-R12 PolarHBondContact O-N 3.22Å |
| 9 | L | 63 | Low | 60.2 | Low | 93 Ų | 93 | 95.4 Ų | 95.4 | 49% | 0.487 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.4 | -43.4 | 177.2 | -118.9 | 127.8 | 0 | 0 | 0 | 112.4 | E5 L7 R12 K13 | E5-L9 WeakPolarHBondContact O-CB 3.28Å; E5-L9 PolarHBondContact O-N 3.46Å; L7-L9 VanDerWaalsContact C-N 3.26Å; L7-L9 PolarHBondContact O-N 3.14Å; L9-R12 PolarHBondContact O-N 2.83Å; L9-K13 WeakPolarHBondContact O-CG 3.11Å; L9-K13 PolarHBondContact O-N 3.3Å |
| 10 | K | 65.1 | Low | 60.2 | Low | 148 Ų | 148 | 93.8 Ų | 93.8 | 64% | 0.643 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.2 | -43.5 | 174.2 | -77.1 | -176.1 | -179.7 | -175.2 | 0 | 111.8 | N6 L7 R12 K13 S14 | N6-K10 WeakPolarHBondContact O-CG 3.41Å; N6-K10 PolarHBondContact O-N 2.89Å; L7-K10 PolarHBondContact O-N 2.99Å; K10-R12 VanDerWaalsContact C-N 3.35Å; K10-R12 PolarHBondContact O-N 3.47Å; K10-K13 PolarHBondContact O-N 2.96Å; K10-S14 PolarHBondContact O-N 3.49Å; K10-S14 PolarHBondContact O-OG 2.8Å |
| 11 | F | 59.5 | Low | 59.9 | Low | 107 Ų | 107 | 92.9 Ų | 92.9 | 47% | 0.469 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 175.6 | -79.7 | -64.2 | 0 | 0 | 0 | 112.5 | L7 K8 S14 F15 | L7-F11 HydrophobicContact CB-CD2 4.39Å; L7-F11 HydrophobicContact CB-CE2 4.3Å; L7-F11 HydrophobicContact CD2-CE2 4.23Å; L7-F11 WeakPolarHBondContact O-CD2 3.41Å; L7-F11 PolarHBondContact O-N 3.2Å; K8-F11 PolarHBondContact O-N 3.2Å; F11-S14 PolarHBondContact O-OG 3.48Å; F11-F15 VanDerWaalsContact O-CB 3.28Å; F11-F15 WeakPolarHBondContact O-CB 3.4Å; F11-F15 PolarHBondContact O-N 3.45Å; F11-F15 VanDerWaalsContact O-N 3.07Å |
| 12 | R | 63.1 | Low | 60.4 | Low | 166 Ų | 166 | 87 Ų | 87 | 63% | 0.626 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -66.5 | -44.6 | 177 | -174.9 | 174.7 | 175.1 | 179.3 | -1.7 | 111.3 | K8 L9 K10 F15 E16 | K8-R12 WeakPolarHBondContact O-CB 3.02Å; K8-R12 PolarHBondContact O-N 3.22Å; L9-R12 PolarHBondContact O-N 2.83Å; K10-R12 VanDerWaalsContact C-N 3.35Å; K10-R12 PolarHBondContact O-N 3.47Å; R12-F15 PolarHBondContact O-N 3.28Å; R12-E16 HydrophobicContact CG-CG 4.35Å; R12-E16 WeakPolarHBondContact CG-OE1 3.42Å; R12-E16 IonicContact CZ-OE1 3.31Å; R12-E16 IonicContact NE-OE1 2.67Å; R12-E16 PolarHBondContact NE-OE1 3.23Å; R12-E16 IonicContact NH2-OE1 3.2Å; R12-E16 PolarHBondContact NH2-OE1 2.9Å; R12-E16 WeakPolarHBondContact O-CB 3.4Å; R12-E16 WeakPolarHBondContact O-CG 3.35Å; R12-E16 PolarHBondContact O-N 3.03Å |
| 13 | K | 67.4 | Low | 61 | Low | 137 Ų | 137 | 92.7 Ų | 92.7 | 60% | 0.596 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.5 | -41.7 | 177.2 | -75.7 | -176.5 | 175.7 | -176.2 | 0 | 112.5 | L9 K10 S17 | L9-K13 WeakPolarHBondContact O-CG 3.11Å; L9-K13 PolarHBondContact O-N 3.3Å; K10-K13 PolarHBondContact O-N 2.96Å; K13-S17 WeakPolarHBondContact O-CB 3.38Å; K13-S17 PolarHBondContact O-N 3.42Å |
| 14 | S | 69.2 | Low | 61.4 | Low | 60 Ų | 60 | 90.7 Ų | 90.7 | 42% | 0.42 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 177.2 | 65.7 | 0 | 0 | 0 | 0 | 111.7 | K10 F11 S17 L18 | K10-S14 PolarHBondContact O-N 3.49Å; K10-S14 PolarHBondContact O-OG 2.8Å; F11-S14 PolarHBondContact O-OG 3.48Å; S14-S17 PolarHBondContact O-N 3.07Å; S14-L18 WeakPolarHBondContact O-CB 3.49Å; S14-L18 PolarHBondContact O-N 3.16Å |
| 15 | F | 66.8 | Low | 61.3 | Low | 22 Ų | 22 | 91.1 Ų | 91.1 | 10% | 0.096 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.6 | -48.8 | 175.2 | 178.2 | -104.7 | 0 | 0 | 0 | 112.8 | F11 R12 S17 L18 L19 W25 V34 W38 | F11-F15 VanDerWaalsContact O-CB 3.28Å; F11-F15 WeakPolarHBondContact O-CB 3.4Å; F11-F15 PolarHBondContact O-N 3.45Å; F11-F15 VanDerWaalsContact O-N 3.07Å; R12-F15 PolarHBondContact O-N 3.28Å; F15-S17 VanDerWaalsContact C-N 3.34Å; F15-S17 PolarHBondContact O-N 3.18Å; F15-L18 PolarHBondContact O-N 2.97Å; F15-L19 HydrophobicContact CD1-CD1 3.87Å; F15-L19 HydrophobicContact CD2-CD1 4.1Å; F15-L19 HydrophobicContact CE1-CD1 3.38Å; F15-L19 HydrophobicContact CE2-CD1 3.64Å; F15-L19 HydrophobicContact CE2-CG 4.45Å; F15-L19 HydrophobicContact CG-CD1 4.23Å; F15-L19 HydrophobicContact CZ-CD1 3.27Å; F15-L19 HydrophobicContact CZ-CG 4.48Å; F15-L19 WeakPolarHBondContact O-CG 3.28Å; F15-L19 PolarHBondContact O-N 3.4Å; F15-W25 AromaticContact CE1-CH2 3.94Å; F15-W25 HydrophobicContact CE1-CH2 3.94Å; F15-W25 HydrophobicContact CE1-CZ2 4.07Å; F15-W25 HydrophobicContact CZ-CH2 4.39Å; F15-V34 HydrophobicContact CE2-CG1 3.98Å; F15-V34 HydrophobicContact CZ-CG1 3.72Å; F15-W38 HydrophobicContact CB-CH2 4.23Å; F15-W38 HydrophobicContact CB-CZ2 4.28Å; F15-W38 AromaticContact CD2-CD2 3.55Å; F15-W38 HydrophobicContact CD2-CD2 3.55Å; F15-W38 AromaticContact CD2-CE2 3.88Å; F15-W38 AromaticContact CD2-CE3 3.56Å; F15-W38 HydrophobicContact CD2-CE3 3.56Å; F15-W38 HydrophobicContact CD2-CG 4.05Å; F15-W38 HydrophobicContact CD2-CH2 4.16Å; F15-W38 HydrophobicContact CD2-CZ2 4.18Å; F15-W38 AromaticContact CD2-CZ3 3.87Å; F15-W38 HydrophobicContact CD2-CZ3 3.87Å; F15-W38 HydrophobicContact CE2-CB 4.05Å; F15-W38 AromaticContact CE2-CD2 3.87Å; F15-W38 HydrophobicContact CE2-CD2 3.87Å; F15-W38 AromaticContact CE2-CE3 4Å; F15-W38 HydrophobicContact CE2-CE3 4Å; F15-W38 AromaticContact CE2-CG 3.9Å; F15-W38 HydrophobicContact CE2-CG 3.9Å |
| 16 | E | 65.6 | Low | 61.4 | Low | 81 Ų | 81 | 91 Ų | 91 | 38% | 0.379 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 177.6 | -74.1 | 173 | 177.8 | 0 | 0 | 111 | R12 L19 A20 | R12-E16 HydrophobicContact CG-CG 4.35Å; R12-E16 WeakPolarHBondContact CG-OE1 3.42Å; R12-E16 IonicContact CZ-OE1 3.31Å; R12-E16 IonicContact NE-OE1 2.67Å; R12-E16 PolarHBondContact NE-OE1 3.23Å; R12-E16 IonicContact NH2-OE1 3.2Å; R12-E16 PolarHBondContact NH2-OE1 2.9Å; R12-E16 WeakPolarHBondContact O-CB 3.4Å; R12-E16 WeakPolarHBondContact O-CG 3.35Å; R12-E16 PolarHBondContact O-N 3.03Å; E16-L19 PolarHBondContact O-N 3.01Å; E16-A20 WeakPolarHBondContact O-CB 3.39Å; E16-A20 PolarHBondContact O-N 2.89Å |
| 17 | S | 66.3 | Low | 61.2 | Low | 76 Ų | 76 | 88.9 Ų | 88.9 | 53% | 0.531 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 174.6 | -174.4 | 0 | 0 | 0 | 0 | 112.3 | K13 S14 F15 L19 S21 | K13-S17 WeakPolarHBondContact O-CB 3.38Å; K13-S17 PolarHBondContact O-N 3.42Å; S14-S17 PolarHBondContact O-N 3.07Å; F15-S17 VanDerWaalsContact C-N 3.34Å; F15-S17 PolarHBondContact O-N 3.18Å; S17-L19 VanDerWaalsContact C-N 3.34Å; S17-L19 PolarHBondContact O-N 3.35Å; S17-S21 WeakPolarHBondContact O-CB 3.43Å; S17-S21 PolarHBondContact O-N 2.95Å; S17-S21 PolarHBondContact O-OG 3.03Å |
| 18 | L | 64.7 | Low | 62 | Low | 28 Ų | 28 | 84.4 Ų | 84.4 | 15% | 0.147 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 178.3 | -168.8 | 77.5 | 0 | 0 | 0 | 111.4 | S14 F15 S21 W38 F58 | S14-L18 WeakPolarHBondContact O-CB 3.49Å; S14-L18 PolarHBondContact O-N 3.16Å; F15-L18 PolarHBondContact O-N 2.97Å; L18-S21 PolarHBondContact O-OG 3.47Å; L18-W38 HydrophobicContact CD2-CE3 4.5Å; L18-W38 HydrophobicContact CD2-CZ3 3.88Å; L18-F58 HydrophobicContact CD2-CD1 3.61Å; L18-F58 HydrophobicContact CD2-CE1 3.32Å; L18-F58 HydrophobicContact CD2-CZ 4.14Å; L18-F58 HydrophobicContact CG-CE1 4.19Å |
| 19 | L | 64 | Low | 62.6 | Low | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -77.7 | -35.4 | -179.5 | -67.8 | 171 | 0 | 0 | 0 | 113.3 | F15 E16 S17 Y23 F24 W25 V34 F58 L62 | F15-L19 HydrophobicContact CD1-CD1 3.87Å; F15-L19 HydrophobicContact CD2-CD1 4.1Å; F15-L19 HydrophobicContact CE1-CD1 3.38Å; F15-L19 HydrophobicContact CE2-CD1 3.64Å; F15-L19 HydrophobicContact CE2-CG 4.45Å; F15-L19 HydrophobicContact CG-CD1 4.23Å; F15-L19 HydrophobicContact CZ-CD1 3.27Å; F15-L19 HydrophobicContact CZ-CG 4.48Å; F15-L19 WeakPolarHBondContact O-CG 3.28Å; F15-L19 PolarHBondContact O-N 3.4Å; E16-L19 PolarHBondContact O-N 3.01Å; S17-L19 VanDerWaalsContact C-N 3.34Å; S17-L19 PolarHBondContact O-N 3.35Å; L19-Y23 PolarHBondContact O-N 3.26Å; L19-F24 HydrophobicContact CD2-CB 3.83Å; L19-F24 HydrophobicContact CD2-CD2 4.49Å; L19-F24 PolarHBondContact O-N 3.27Å; L19-W25 HydrophobicContact CB-CD2 4.27Å; L19-W25 HydrophobicContact CB-CG 4.34Å; L19-W25 HydrophobicContact CB-CZ2 4.04Å; L19-W25 HydrophobicContact CD1-CD2 4.14Å; L19-W25 HydrophobicContact CD1-CH2 3.55Å; L19-W25 HydrophobicContact CD1-CZ2 3.07Å; L19-W25 HydrophobicContact CD1-CZ3 4.24Å; L19-W25 HydrophobicContact CG-CZ2 4.16Å; L19-V34 HydrophobicContact CD1-CG1 3.81Å; L19-V34 HydrophobicContact CD2-CG1 3.87Å; L19-F58 HydrophobicContact CD2-CE1 4.4Å; L19-F58 HydrophobicContact CD2-CZ 4.03Å; L19-L62 HydrophobicContact CD2-CD1 4.16Å |
| 20 | A | 59.8 | Low | 63.4 | Low | 63 Ų | 63 | 81.9 Ų | 81.9 | 52% | 0.521 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -71.1 | -44.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E16 R22 Y23 | E16-A20 WeakPolarHBondContact O-CB 3.39Å; E16-A20 PolarHBondContact O-N 2.89Å; A20-R22 PolarHBondContact O-N 3.33Å; A20-Y23 PolarHBondContact O-N 3.25Å |
| 21 | S | 53.3 | Low | 64.3 | Low | 76 Ų | 76 | 79.1 Ų | 79.1 | 53% | 0.531 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.2 | -18.9 | -179 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | S17 L18 | S17-S21 WeakPolarHBondContact O-CB 3.43Å; S17-S21 PolarHBondContact O-N 2.95Å; S17-S21 PolarHBondContact O-OG 3.03Å; L18-S21 PolarHBondContact O-OG 3.47Å |
| 22 | R | 57.8 | Low | 65.5 | Low | 121 Ų | 121 | 75.8 Ų | 75.8 | 46% | 0.457 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.1 | 16.8 | -172.8 | -62.2 | -172.4 | -175.3 | -145.4 | 11.5 | 114.4 | A20 F24 E59 | A20-R22 PolarHBondContact O-N 3.33Å; R22-F24 HydrophobicContact CB-CD2 3.46Å; R22-F24 VanDerWaalsContact CB-CD2 3.46Å; R22-F24 HydrophobicContact CB-CE2 3.24Å; R22-F24 HydrophobicContact CB-CG 4.37Å; R22-F24 HydrophobicContact CB-CZ 4Å; R22-F24 HydrophobicContact CG-CE2 4.06Å; R22-F24 PolarHBondContact O-N 3.25Å; R22-E59 WeakPolarHBondContact CD-OE1 3.42Å; R22-E59 IonicContact CZ-OE1 2.83Å; R22-E59 IonicContact CZ-OE2 2.83Å; R22-E59 IonicContact NE-OE1 3.66Å; R22-E59 PolarHBondContact NE-OE1 3.37Å; R22-E59 IonicContact NH1-OE1 2.88Å; R22-E59 PolarHBondContact NH1-OE1 3.03Å; R22-E59 IonicContact NH1-OE2 2.71Å; R22-E59 PolarHBondContact NH1-OE2 2.98Å; R22-E59 IonicContact NH2-OE1 2.74Å |
| 23 | Y | 58 | Low | 66.7 | Low | 170 Ų | 170 | 69.2 Ų | 69.2 | 67% | 0.667 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 20.7 | 175.5 | -62.7 | -83.5 | 0 | 0 | 0 | 115.4 | L19 A20 W25 L26 | L19-Y23 PolarHBondContact O-N 3.26Å; A20-Y23 PolarHBondContact O-N 3.25Å; Y23-W25 VanDerWaalsContact C-N 3.25Å; Y23-W25 PolarHBondContact O-N 2.95Å; Y23-L26 HydrophobicContact CD1-CD1 3.81Å; Y23-L26 HydrophobicContact CG-CD1 4.47Å; Y23-L26 WeakPolarHBondContact O-CB 3.17Å; Y23-L26 PolarHBondContact O-N 3.09Å |
| 24 | F | 56.9 | Low | 67.7 | Low | 9 Ų | 9 | 62.7 Ų | 62.7 | 4% | 0.039 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.7 | -26.3 | -170.6 | -77.3 | -58 | 0 | 0 | 0 | 113.6 | L19 R22 L26 V27 N28 E59 L62 K63 | L19-F24 HydrophobicContact CD2-CB 3.83Å; L19-F24 HydrophobicContact CD2-CD2 4.49Å; L19-F24 PolarHBondContact O-N 3.27Å; R22-F24 HydrophobicContact CB-CD2 3.46Å; R22-F24 VanDerWaalsContact CB-CD2 3.46Å; R22-F24 HydrophobicContact CB-CE2 3.24Å; R22-F24 HydrophobicContact CB-CG 4.37Å; R22-F24 HydrophobicContact CB-CZ 4Å; R22-F24 HydrophobicContact CG-CE2 4.06Å; R22-F24 PolarHBondContact O-N 3.25Å; F24-L26 VanDerWaalsContact C-N 3.27Å; F24-L26 PolarHBondContact O-N 3.23Å; F24-V27 PolarHBondContact O-N 2.86Å; F24-N28 PolarHBondContact O-N 3.27Å; F24-E59 HydrophobicContact CE2-CB 4.36Å; F24-E59 HydrophobicContact CE2-CG 3.64Å; F24-E59 HydrophobicContact CZ-CB 3.88Å; F24-E59 HydrophobicContact CZ-CG 3.64Å; F24-L62 HydrophobicContact CB-CD1 4.03Å; F24-L62 HydrophobicContact CD1-CB 4.06Å; F24-L62 HydrophobicContact CD1-CD1 4.19Å; F24-L62 HydrophobicContact CD2-CD1 4.28Å; F24-L62 HydrophobicContact CE1-CB 4.28Å; F24-L62 HydrophobicContact CG-CD1 3.93Å; F24-K63 HydrophobicContact CE1-CG 3.88Å; F24-K63 HydrophobicContact CZ-CG 4.49Å |
| 25 | W | 52.9 | Low | 68.7 | Low | 105 Ų | 105 | 62 Ų | 62 | 40% | 0.398 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.9 | -34.4 | 173.9 | -62.3 | 112.6 | 0 | 0 | 0 | 112.9 | F15 L19 Y23 V27 I31 | F15-W25 AromaticContact CE1-CH2 3.94Å; F15-W25 HydrophobicContact CE1-CH2 3.94Å; F15-W25 HydrophobicContact CE1-CZ2 4.07Å; F15-W25 HydrophobicContact CZ-CH2 4.39Å; L19-W25 HydrophobicContact CB-CD2 4.27Å; L19-W25 HydrophobicContact CB-CG 4.34Å; L19-W25 HydrophobicContact CB-CZ2 4.04Å; L19-W25 HydrophobicContact CD1-CD2 4.14Å; L19-W25 HydrophobicContact CD1-CH2 3.55Å; L19-W25 HydrophobicContact CD1-CZ2 3.07Å; L19-W25 HydrophobicContact CD1-CZ3 4.24Å; L19-W25 HydrophobicContact CG-CZ2 4.16Å; Y23-W25 VanDerWaalsContact C-N 3.25Å; Y23-W25 PolarHBondContact O-N 2.95Å; W25-V27 VanDerWaalsContact C-N 3.29Å; W25-V27 PolarHBondContact O-N 3.15Å; W25-I31 HydrophobicContact CZ3-CD1 4.5Å; W25-I31 HydrophobicContact CZ3-CG1 4.37Å |
| 26 | L | 55.7 | Low | 70 | Confident | 134 Ų | 134 | 62 Ų | 62 | 70% | 0.702 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -68.7 | -34 | 177.9 | -66.4 | 175.1 | 0 | 0 | 0 | 111.1 | Y23 F24 R69 | Y23-L26 HydrophobicContact CD1-CD1 3.81Å; Y23-L26 HydrophobicContact CG-CD1 4.47Å; Y23-L26 WeakPolarHBondContact O-CB 3.17Å; Y23-L26 PolarHBondContact O-N 3.09Å; F24-L26 VanDerWaalsContact C-N 3.27Å; F24-L26 PolarHBondContact O-N 3.23Å; L26-R69 PolarHBondContact O-NH1 3.47Å |
| 27 | V | 63.5 | Low | 71.3 | Confident | 58 Ų | 58 | 58.2 Ų | 58.2 | 35% | 0.352 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -82.4 | -38.5 | -176.3 | -174.8 | 0 | 0 | 0 | 0 | 111.2 | F24 W25 P29 R69 | F24-V27 PolarHBondContact O-N 2.86Å; W25-V27 VanDerWaalsContact C-N 3.29Å; W25-V27 PolarHBondContact O-N 3.15Å; V27-P29 WeakPolarHBondContact O-CD 3.36Å; V27-R69 PolarHBondContact O-NH1 3.19Å |
| 28 | N | 71.6 | Confident | 72.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -122.8 | 89.2 | -173.6 | -66.7 | -69.1 | 0 | 0 | 0 | 112.1 | F24 N30 L33 V34 L62 N65 | F24-N28 PolarHBondContact O-N 3.27Å; N28-N30 PolarHBondContact O-N 2.74Å; N28-L33 HydrophobicContact CB-CD2 4.46Å; N28-V34 HydrophobicContact CB-CG2 4.24Å; N28-L62 PolarHBondContact ND2-O 2.88Å; N28-L62 PolarHBondContact OD1-O 3.32Å; N28-N65 WeakPolarHBondContact OD1-CB 3.15Å; N28-N65 PolarHBondContact OD1-ND2 3.31Å | ||
| 29 | P | 69.7 | Low | 73.9 | Confident | 90 Ų | 90 | 54.9 Ų | 54.9 | 58% | 0.584 | 28% | 0.281 | S | S | * | . | trans | -74 | -15.7 | -178.4 | 29.8 | -35.9 | 0 | 0 | 0 | 112 | V27 I31 | V27-P29 WeakPolarHBondContact O-CD 3.36Å; P29-I31 PolarHBondContact O-N 2.89Å | ||
| 30 | N | 80.3 | Confident | 75.4 | Confident | 69 Ų | 69 | 56.2 Ų | 56.2 | 37% | 0.369 | 29% | 0.288 | S | S | . | . | trans | -82.5 | 98.9 | 179.2 | -169.5 | -20.6 | 0 | 0 | 0 | 110.5 | N28 Q32 L33 V34 L176 | N28-N30 PolarHBondContact O-N 2.74Å; N30-Q32 PolarHBondContact O-N 2.91Å; N30-Q32 VanDerWaalsContact O-N 3.16Å; N30-Q32 VanDerWaalsContact OD1-CB 3.28Å; N30-Q32 WeakPolarHBondContact OD1-CB 3.38Å; N30-Q32 PolarHBondContact OD1-N 3.48Å; N30-L33 HydrophobicContact CB-CB 4.26Å; N30-L33 WeakPolarHBondContact O-CB 3.32Å; N30-L33 PolarHBondContact O-N 2.87Å; N30-V34 PolarHBondContact O-N 3.07Å; N30-L176 VanDerWaalsContact ND2-CD1 3.33Å; N30-L176 WeakPolarHBondContact ND2-CD1 3.35Å | ||
| 31 | I | 83.3 | Confident | 77.1 | Confident | 89 Ų | 89 | 54.4 Ų | 54.4 | 46% | 0.456 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.3 | -30.1 | 177.4 | -163.8 | 164.1 | 0 | 0 | 0 | 113 | W25 P29 L33 V34 Q35 | W25-I31 HydrophobicContact CZ3-CD1 4.5Å; W25-I31 HydrophobicContact CZ3-CG1 4.37Å; P29-I31 PolarHBondContact O-N 2.89Å; I31-L33 VanDerWaalsContact C-N 3.34Å; I31-L33 PolarHBondContact O-N 3.49Å; I31-V34 PolarHBondContact O-N 2.94Å; I31-Q35 HydrophobicContact CG1-CG 4.44Å; I31-Q35 VanDerWaalsContact O-CG 3.24Å; I31-Q35 WeakPolarHBondContact O-CG 3.34Å; I31-Q35 PolarHBondContact O-N 2.85Å |
| 32 | Q | 86.6 | Confident | 79.1 | Confident | 37 Ų | 37 | 52.4 Ų | 52.4 | 17% | 0.173 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65 | -40.3 | 177.5 | -60.2 | -62.9 | -25 | 0 | 0 | 111.2 | N30 V34 Q35 V36 H172 R175 L176 | N30-Q32 PolarHBondContact O-N 2.91Å; N30-Q32 VanDerWaalsContact O-N 3.16Å; N30-Q32 VanDerWaalsContact OD1-CB 3.28Å; N30-Q32 WeakPolarHBondContact OD1-CB 3.38Å; N30-Q32 PolarHBondContact OD1-N 3.48Å; Q32-V34 VanDerWaalsContact C-N 3.34Å; Q32-V34 PolarHBondContact O-N 3.38Å; Q32-Q35 PolarHBondContact O-N 3.49Å; Q32-V36 WeakPolarHBondContact O-CG2 3.28Å; Q32-V36 PolarHBondContact O-N 3.03Å; Q32-H172 PolarHBondContact OE1-ND1 2.75Å; Q32-R175 HydrophobicContact CG-CB 4.17Å; Q32-L176 HydrophobicContact CB-CB 4.47Å; Q32-L176 HydrophobicContact CB-CD1 4.33Å |
| 33 | L | 87.7 | Confident | 80.9 | Confident | 29 Ų | 29 | 46.8 Ų | 46.8 | 15% | 0.152 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64 | -42 | 178.2 | -175.9 | 142.1 | 0 | 0 | 0 | 111.1 | N28 N30 I31 Q35 V36 A37 L62 N65 L176 | N28-L33 HydrophobicContact CB-CD2 4.46Å; N30-L33 HydrophobicContact CB-CB 4.26Å; N30-L33 WeakPolarHBondContact O-CB 3.32Å; N30-L33 PolarHBondContact O-N 2.87Å; I31-L33 VanDerWaalsContact C-N 3.34Å; I31-L33 PolarHBondContact O-N 3.49Å; L33-Q35 VanDerWaalsContact C-N 3.33Å; L33-Q35 PolarHBondContact O-N 3.34Å; L33-V36 PolarHBondContact O-N 3.49Å; L33-A37 PolarHBondContact O-N 3.37Å; L33-L62 HydrophobicContact CD2-CD2 3.5Å; L33-N65 HydrophobicContact CD1-CB 3.84Å; L33-N65 VanDerWaalsContact CD1-CG 3.44Å; L33-N65 HydrophobicContact CD2-CB 4.18Å; L33-L176 HydrophobicContact CB-CD1 4.29Å |
| 34 | V | 88.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 174.8 | -177 | 0 | 0 | 0 | 0 | 111 | F15 L19 N28 N30 I31 Q32 A37 W38 F58 L62 | F15-V34 HydrophobicContact CE2-CG1 3.98Å; F15-V34 HydrophobicContact CZ-CG1 3.72Å; L19-V34 HydrophobicContact CD1-CG1 3.81Å; L19-V34 HydrophobicContact CD2-CG1 3.87Å; N28-V34 HydrophobicContact CB-CG2 4.24Å; N30-V34 PolarHBondContact O-N 3.07Å; I31-V34 PolarHBondContact O-N 2.94Å; Q32-V34 VanDerWaalsContact C-N 3.34Å; Q32-V34 PolarHBondContact O-N 3.38Å; V34-A37 PolarHBondContact O-N 2.93Å; V34-W38 VanDerWaalsContact O-CB 3.28Å; V34-W38 WeakPolarHBondContact O-CB 2.92Å; V34-W38 PolarHBondContact O-N 3.38Å; V34-F58 HydrophobicContact CG1-CZ 4.47Å; V34-L62 HydrophobicContact CG2-CD2 4.26Å |
| 35 | Q | 90.5 | Very high | 84.6 | Confident | 46 Ų | 46 | 41 Ų | 41 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.7 | -36.9 | 176.9 | -68.1 | -64.5 | -30.7 | 0 | 0 | 112.6 | I31 Q32 L33 W38 N39 H172 | I31-Q35 HydrophobicContact CG1-CG 4.44Å; I31-Q35 VanDerWaalsContact O-CG 3.24Å; I31-Q35 WeakPolarHBondContact O-CG 3.34Å; I31-Q35 PolarHBondContact O-N 2.85Å; Q32-Q35 PolarHBondContact O-N 3.49Å; L33-Q35 VanDerWaalsContact C-N 3.33Å; L33-Q35 PolarHBondContact O-N 3.34Å; Q35-W38 PolarHBondContact O-N 3.01Å; Q35-N39 PolarHBondContact O-N 2.91Å; Q35-N39 PolarHBondContact O-ND2 2.63Å; Q35-H172 HydrophobicContact CB-CB 4.4Å |
| 36 | V | 93.1 | Very high | 86.7 | Confident | 20 Ų | 20 | 39.9 Ų | 39.9 | 12% | 0.121 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.9 | -52.3 | 173.5 | 169.7 | 0 | 0 | 0 | 0 | 110.3 | Q32 L33 W38 N39 I40 L169 H172 V173 L176 | Q32-V36 WeakPolarHBondContact O-CG2 3.28Å; Q32-V36 PolarHBondContact O-N 3.03Å; L33-V36 PolarHBondContact O-N 3.49Å; V36-W38 VanDerWaalsContact C-N 3.26Å; V36-W38 PolarHBondContact O-N 2.74Å; V36-N39 PolarHBondContact O-N 2.67Å; V36-I40 HydrophobicContact CG1-CD1 3.98Å; V36-I40 WeakPolarHBondContact O-CG1 3.32Å; V36-I40 PolarHBondContact O-N 3.26Å; V36-L169 HydrophobicContact CB-CD1 4.49Å; V36-L169 HydrophobicContact CG1-CD1 3.95Å; V36-H172 HydrophobicContact CG2-CB 3.66Å; V36-V173 HydrophobicContact CG1-CG2 4.15Å; V36-V173 HydrophobicContact CG2-CG2 3.89Å; V36-L176 HydrophobicContact CG2-CD2 4.37Å |
| 37 | A | 93 | Very high | 88.6 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 3% | 0.025 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.1 | -41.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | L33 V34 I40 R41 F58 L61 L62 | L33-A37 PolarHBondContact O-N 3.37Å; V34-A37 PolarHBondContact O-N 2.93Å; A37-I40 WeakPolarHBondContact O-CB 3.41Å; A37-I40 PolarHBondContact O-N 3.5Å; A37-R41 PolarHBondContact O-N 3.44Å; A37-F58 VanDerWaalsContact C-CD2 3.5Å; A37-F58 HydrophobicContact CB-CD2 3.68Å; A37-F58 HydrophobicContact CB-CE2 3.81Å; A37-L61 HydrophobicContact CB-CB 4.23Å; A37-L61 HydrophobicContact CB-CD1 4.35Å; A37-L62 HydrophobicContact CB-CD2 3.85Å; A37-L62 HydrophobicContact CB-CG 4.36Å |
| 38 | W | 92.3 | Very high | 90.1 | Very high | 29 Ų | 29 | 37.9 Ų | 37.9 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.9 | -44 | 178 | -179.8 | -104.4 | 0 | 0 | 0 | 112.7 | F15 L18 V34 Q35 V36 I40 R41 Q42 F58 | F15-W38 HydrophobicContact CB-CH2 4.23Å; F15-W38 HydrophobicContact CB-CZ2 4.28Å; F15-W38 AromaticContact CD2-CD2 3.55Å; F15-W38 HydrophobicContact CD2-CD2 3.55Å; F15-W38 AromaticContact CD2-CE2 3.88Å; F15-W38 AromaticContact CD2-CE3 3.56Å; F15-W38 HydrophobicContact CD2-CE3 3.56Å; F15-W38 HydrophobicContact CD2-CG 4.05Å; F15-W38 HydrophobicContact CD2-CH2 4.16Å; F15-W38 HydrophobicContact CD2-CZ2 4.18Å; F15-W38 AromaticContact CD2-CZ3 3.87Å; F15-W38 HydrophobicContact CD2-CZ3 3.87Å; F15-W38 HydrophobicContact CE2-CB 4.05Å; F15-W38 AromaticContact CE2-CD2 3.87Å; F15-W38 HydrophobicContact CE2-CD2 3.87Å; F15-W38 AromaticContact CE2-CE3 4Å; F15-W38 HydrophobicContact CE2-CE3 4Å; F15-W38 AromaticContact CE2-CG 3.9Å; F15-W38 HydrophobicContact CE2-CG 3.9Å; L18-W38 HydrophobicContact CD2-CE3 4.5Å; L18-W38 HydrophobicContact CD2-CZ3 3.88Å; V34-W38 VanDerWaalsContact O-CB 3.28Å; V34-W38 WeakPolarHBondContact O-CB 2.92Å; V34-W38 PolarHBondContact O-N 3.38Å; Q35-W38 PolarHBondContact O-N 3.01Å; V36-W38 VanDerWaalsContact C-N 3.26Å; V36-W38 PolarHBondContact O-N 2.74Å; W38-I40 VanDerWaalsContact C-N 3.29Å; W38-I40 PolarHBondContact O-N 2.97Å; W38-R41 VanDerWaalsContact O-CB 3.32Å; W38-R41 WeakPolarHBondContact O-CB 3.35Å; W38-R41 PolarHBondContact O-N 2.73Å; W38-Q42 WeakPolarHBondContact O-CG 3.38Å; W38-Q42 PolarHBondContact O-N 3.31Å; W38-F58 HydrophobicContact CB-CE2 4.07Å; W38-F58 HydrophobicContact CE3-CE2 4.19Å; W38-F58 HydrophobicContact CE3-CZ 4.36Å |
| 39 | N | 94.1 | Very high | 91.3 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.027 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.5 | -35.1 | 176.7 | -71.5 | -60.6 | 0 | 0 | 0 | 111.4 | Q35 V36 Q42 L43 T165 L169 H172 | Q35-N39 PolarHBondContact O-N 2.91Å; Q35-N39 PolarHBondContact O-ND2 2.63Å; V36-N39 PolarHBondContact O-N 2.67Å; N39-Q42 PolarHBondContact O-N 3.47Å; N39-L43 VanDerWaalsContact O-CG 3.24Å; N39-L43 WeakPolarHBondContact O-CG 3.34Å; N39-L43 PolarHBondContact O-N 3.23Å; N39-T165 HydrophobicContact CB-CG2 4.33Å; N39-L169 HydrophobicContact CB-CB 3.9Å; N39-L169 HydrophobicContact CB-CD1 4.02Å; N39-H172 PolarHBondContact ND2-CD2 2.93Å; N39-H172 VanDerWaalsContact ND2-CD2 3.33Å |
| 40 | I | 95.5 | Very high | 92.5 | Very high | 28 Ų | 28 | 41.7 Ų | 41.7 | 14% | 0.144 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -47.3 | 172.3 | -68.1 | 167.4 | 0 | 0 | 0 | 110.7 | V36 A37 W38 Q42 L43 L44 L61 L148 L169 | V36-I40 HydrophobicContact CG1-CD1 3.98Å; V36-I40 WeakPolarHBondContact O-CG1 3.32Å; V36-I40 PolarHBondContact O-N 3.26Å; A37-I40 WeakPolarHBondContact O-CB 3.41Å; A37-I40 PolarHBondContact O-N 3.5Å; W38-I40 VanDerWaalsContact C-N 3.29Å; W38-I40 PolarHBondContact O-N 2.97Å; I40-Q42 VanDerWaalsContact C-N 3.35Å; I40-Q42 PolarHBondContact O-N 2.97Å; I40-L43 PolarHBondContact O-N 3.4Å; I40-L43 VanDerWaalsContact O-N 3.12Å; I40-L44 HydrophobicContact CG2-CD1 4.19Å; I40-L44 HydrophobicContact CG2-CG 4.5Å; I40-L44 WeakPolarHBondContact O-CG 3.35Å; I40-L44 PolarHBondContact O-N 2.96Å; I40-L61 HydrophobicContact CB-CD1 4.44Å; I40-L61 HydrophobicContact CD1-CD1 4.01Å; I40-L61 HydrophobicContact CG2-CD1 4.13Å; I40-L148 HydrophobicContact CG2-CD1 4.33Å; I40-L148 HydrophobicContact CG2-CD2 3.47Å; I40-L148 VanDerWaalsContact CG2-CD2 3.47Å; I40-L169 HydrophobicContact CG1-CD1 4.17Å |
| 41 | R | 95 | Very high | 93.1 | Very high | 25 Ų | 25 | 41.1 Ų | 41.1 | 9% | 0.094 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -53.3 | -50.1 | 174.2 | -174.5 | -164.3 | 175.7 | -78.1 | -9 | 112.1 | A37 W38 L43 L44 I45 S51 A54 D55 F58 | A37-R41 PolarHBondContact O-N 3.44Å; W38-R41 VanDerWaalsContact O-CB 3.32Å; W38-R41 WeakPolarHBondContact O-CB 3.35Å; W38-R41 PolarHBondContact O-N 2.73Å; R41-L43 VanDerWaalsContact C-N 3.29Å; R41-L43 PolarHBondContact O-N 2.89Å; R41-L44 PolarHBondContact O-N 3.37Å; R41-I45 HydrophobicContact CG-CD1 4.39Å; R41-I45 WeakPolarHBondContact O-CG1 3.47Å; R41-I45 PolarHBondContact O-N 2.92Å; R41-S51 PolarHBondContact NH2-OG 2.87Å; R41-A54 HydrophobicContact CG-CB 4.12Å; R41-D55 IonicContact CZ-OD1 2.92Å; R41-D55 IonicContact CZ-OD2 2.62Å; R41-D55 IonicContact NE-OD1 3.85Å; R41-D55 PolarHBondContact NE-OD1 3.45Å; R41-D55 IonicContact NE-OD2 3.35Å; R41-D55 IonicContact NH2-OD1 3.81Å; R41-D55 PolarHBondContact NH2-OD1 2.94Å; R41-D55 IonicContact NH2-OD2 3.57Å; R41-D55 PolarHBondContact NH2-OD2 2.97Å; R41-F58 HydrophobicContact CB-CB 4.03Å; R41-F58 HydrophobicContact CB-CD2 4.39Å; R41-F58 HydrophobicContact CB-CG 4.5Å; R41-F58 HydrophobicContact CG-CB 4.12Å |
| 42 | Q | 95.5 | Very high | 93.6 | Very high | 34 Ų | 34 | 42.6 Ų | 42.6 | 16% | 0.159 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.1 | -38.7 | 179.1 | -65.5 | -62.3 | -37.7 | 0 | 0 | 111.4 | W38 N39 I40 I45 T46 T165 | W38-Q42 WeakPolarHBondContact O-CG 3.38Å; W38-Q42 PolarHBondContact O-N 3.31Å; N39-Q42 PolarHBondContact O-N 3.47Å; I40-Q42 VanDerWaalsContact C-N 3.35Å; I40-Q42 PolarHBondContact O-N 2.97Å; Q42-I45 PolarHBondContact O-N 3.12Å; Q42-T46 VanDerWaalsContact O-CG2 3.28Å; Q42-T46 WeakPolarHBondContact O-CG2 3.47Å; Q42-T46 PolarHBondContact O-N 3.36Å; Q42-T46 PolarHBondContact O-OG1 3.43Å; Q42-T165 HydrophobicContact CB-CG2 3.86Å |
| 43 | L | 96.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.3 | -38.6 | 176.4 | -70.3 | 168 | 0 | 0 | 0 | 112.3 | N39 I40 R41 T46 Y47 F153 V157 T165 V166 L169 | N39-L43 VanDerWaalsContact O-CG 3.24Å; N39-L43 WeakPolarHBondContact O-CG 3.34Å; N39-L43 PolarHBondContact O-N 3.23Å; I40-L43 PolarHBondContact O-N 3.4Å; I40-L43 VanDerWaalsContact O-N 3.12Å; R41-L43 VanDerWaalsContact C-N 3.29Å; R41-L43 PolarHBondContact O-N 2.89Å; L43-T46 WeakPolarHBondContact CA-OG1 3.24Å; L43-T46 PolarHBondContact O-N 3.39Å; L43-T46 PolarHBondContact O-OG1 3.26Å; L43-Y47 WeakPolarHBondContact O-CB 3.45Å; L43-Y47 PolarHBondContact O-N 3.2Å; L43-F153 HydrophobicContact CB-CE2 4.03Å; L43-F153 HydrophobicContact CB-CZ 4.08Å; L43-V157 HydrophobicContact CB-CG2 4.34Å; L43-V157 HydrophobicContact CD1-CG1 4.21Å; L43-V157 HydrophobicContact CD1-CG2 4.2Å; L43-V157 HydrophobicContact CD2-CG2 4.45Å; L43-T165 HydrophobicContact CD2-CG2 4Å; L43-T165 HydrophobicContact CG-CG2 3.92Å; L43-V166 HydrophobicContact CD1-CG2 4.35Å; L43-V166 HydrophobicContact CD2-CG2 3.62Å; L43-L169 HydrophobicContact CD1-CD2 3.65Å |
| 44 | L | 96.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.7 | -46.7 | 174.5 | -71.8 | 169.3 | 0 | 0 | 0 | 111.4 | I40 R41 T46 Y47 G48 I49 A54 A57 L147 L148 F153 | I40-L44 HydrophobicContact CG2-CD1 4.19Å; I40-L44 HydrophobicContact CG2-CG 4.5Å; I40-L44 WeakPolarHBondContact O-CG 3.35Å; I40-L44 PolarHBondContact O-N 2.96Å; R41-L44 PolarHBondContact O-N 3.37Å; L44-T46 PolarHBondContact O-N 2.71Å; L44-Y47 WeakPolarHBondContact O-CB 3.37Å; L44-Y47 PolarHBondContact O-N 3.16Å; L44-Y47 VanDerWaalsContact O-N 3.16Å; L44-G48 PolarHBondContact O-N 3.11Å; L44-I49 HydrophobicContact CB-CB 4.17Å; L44-I49 HydrophobicContact CB-CG1 4.31Å; L44-I49 HydrophobicContact CD2-CG1 4.09Å; L44-I49 WeakPolarHBondContact O-CB 3.38Å; L44-I49 PolarHBondContact O-N 3.2Å; L44-A54 HydrophobicContact CB-CB 3.97Å; L44-A54 HydrophobicContact CD1-CB 4.44Å; L44-A57 HydrophobicContact CD1-CB 3.84Å; L44-L147 HydrophobicContact CD1-CD2 4.1Å; L44-L147 HydrophobicContact CD2-CD1 4.41Å; L44-L147 HydrophobicContact CD2-CD2 3.84Å; L44-L147 HydrophobicContact CD2-CG 3.85Å; L44-L148 HydrophobicContact CD1-CD2 4.35Å; L44-L148 HydrophobicContact CD2-CD2 4.13Å; L44-L148 HydrophobicContact CG-CD2 4.41Å; L44-F153 HydrophobicContact CD2-CD2 3.99Å; L44-F153 HydrophobicContact CD2-CE2 3.67Å; L44-F153 HydrophobicContact CD2-CZ 3.99Å; L44-F153 HydrophobicContact CG-CE2 4.09Å; L44-F153 HydrophobicContact CG-CZ 4.29Å |
| 45 | I | 95.9 | Very high | 94.3 | Very high | 56 Ų | 56 | 44.3 Ų | 44.3 | 29% | 0.287 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 178.2 | -65.8 | 175 | 0 | 0 | 0 | 110.8 | R41 Q42 Y47 G48 A54 | R41-I45 HydrophobicContact CG-CD1 4.39Å; R41-I45 WeakPolarHBondContact O-CG1 3.47Å; R41-I45 PolarHBondContact O-N 2.92Å; Q42-I45 PolarHBondContact O-N 3.12Å; I45-Y47 PolarHBondContact O-N 2.95Å; I45-G48 PolarHBondContact O-N 3.4Å; I45-A54 HydrophobicContact CD1-CB 4.19Å; I45-A54 HydrophobicContact CG1-CB 3.63Å |
| 46 | T | 95.1 | Very high | 94.4 | Very high | 82 Ų | 82 | 46.8 Ų | 46.8 | 50% | 0.503 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.5 | -21.2 | 177.9 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | Q42 L43 L44 G48 H156 | Q42-T46 VanDerWaalsContact O-CG2 3.28Å; Q42-T46 WeakPolarHBondContact O-CG2 3.47Å; Q42-T46 PolarHBondContact O-N 3.36Å; Q42-T46 PolarHBondContact O-OG1 3.43Å; L43-T46 WeakPolarHBondContact CA-OG1 3.24Å; L43-T46 PolarHBondContact O-N 3.39Å; L43-T46 PolarHBondContact O-OG1 3.26Å; L44-T46 PolarHBondContact O-N 2.71Å; T46-G48 VanDerWaalsContact C-N 3.32Å; T46-H156 PolarHBondContact O-CE1 3.28Å; T46-H156 VanDerWaalsContact O-CE1 3.25Å; T46-H156 PolarHBondContact O-NE2 3.07Å; T46-H156 PolarHBondContact OG1-NE2 2.88Å |
| 47 | Y | 95.8 | Very high | 94.4 | Very high | 86 Ų | 86 | 46 Ų | 46 | 34% | 0.337 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -76.9 | -19.5 | 172.3 | 177.4 | -124.5 | 0 | 0 | 0 | 112.5 | L43 L44 I45 I49 G152 F153 H156 | L43-Y47 WeakPolarHBondContact O-CB 3.45Å; L43-Y47 PolarHBondContact O-N 3.2Å; L44-Y47 WeakPolarHBondContact O-CB 3.37Å; L44-Y47 PolarHBondContact O-N 3.16Å; L44-Y47 VanDerWaalsContact O-N 3.16Å; I45-Y47 PolarHBondContact O-N 2.95Å; Y47-I49 HydrophobicContact CD1-CD1 4.18Å; Y47-I49 HydrophobicContact CD1-CG1 3.98Å; Y47-I49 HydrophobicContact CE1-CD1 4.38Å; Y47-G152 WeakPolarHBondContact OH-CA 3.12Å; Y47-F153 HydrophobicContact CD1-CB 3.98Å; Y47-F153 AromaticContact CD1-CD2 3.75Å; Y47-F153 HydrophobicContact CD1-CD2 3.75Å; Y47-F153 HydrophobicContact CD1-CG 4.35Å; Y47-F153 HydrophobicContact CE1-CB 3.87Å; Y47-F153 HydrophobicContact CE1-CD2 4.49Å; Y47-F153 HydrophobicContact CG-CB 4.46Å; Y47-F153 AromaticContact CG-CD2 3.86Å; Y47-F153 HydrophobicContact CG-CD2 3.86Å; Y47-H156 HydrophobicContact CD2-CB 3.51Å; Y47-H156 AromaticContact CD2-CG 3.64Å; Y47-H156 HydrophobicContact CE2-CB 4.06Å; Y47-H156 HydrophobicContact CG-CB 4.37Å; Y47-H156 PolarHBondContact N-NE2 3.32Å |
| 48 | G | 96.3 | Very high | 94.4 | Very high | 64 Ų | 64 | 45.9 Ų | 45.9 | 66% | 0.66 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108.2 | 12.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L44 I45 T46 | L44-G48 PolarHBondContact O-N 3.11Å; I45-G48 PolarHBondContact O-N 3.4Å; T46-G48 VanDerWaalsContact C-N 3.32Å |
| 49 | I | 95.9 | Very high | 94.3 | Very high | 35 Ų | 35 | 44.7 Ų | 44.7 | 18% | 0.179 | 25% | 0.246 | C | C | . | . | trans | -75.3 | 137.1 | 170.5 | -57.2 | -60 | 0 | 0 | 0 | 109.2 | L44 Y47 I53 L147 | L44-I49 HydrophobicContact CB-CB 4.17Å; L44-I49 HydrophobicContact CB-CG1 4.31Å; L44-I49 HydrophobicContact CD2-CG1 4.09Å; L44-I49 WeakPolarHBondContact O-CB 3.38Å; L44-I49 PolarHBondContact O-N 3.2Å; Y47-I49 HydrophobicContact CD1-CD1 4.18Å; Y47-I49 HydrophobicContact CD1-CG1 3.98Å; Y47-I49 HydrophobicContact CE1-CD1 4.38Å; I49-I53 HydrophobicContact CG2-CB 3.75Å; I49-I53 HydrophobicContact CG2-CG2 3.67Å; I49-L147 HydrophobicContact CD1-CD1 3.85Å; I49-L147 HydrophobicContact CG1-CD1 4.26Å | ||
| 50 | E | 95.5 | Very high | 94.1 | Very high | 135 Ų | 135 | 47.2 Ų | 47.2 | 63% | 0.631 | 26% | 0.256 | S | S | * | . | trans | -54.8 | 143.8 | 176.7 | -64.6 | 177.3 | -178.9 | 0 | 0 | 111.5 | D52 I53 A54 | E50-D52 VanDerWaalsContact C-N 3.26Å; E50-D52 PolarHBondContact O-N 3.38Å; E50-I53 HydrophobicContact CB-CD1 4.18Å; E50-I53 HydrophobicContact CB-CG1 4.3Å; E50-I53 PolarHBondContact O-N 3.47Å; E50-A54 PolarHBondContact O-N 3.18Å | ||
| 51 | S | 93.2 | Very high | 94 | Very high | 56 Ų | 56 | 48.4 Ų | 48.4 | 39% | 0.392 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.7 | -41.3 | -174.8 | -170.4 | 0 | 0 | 0 | 0 | 111.9 | R41 I53 A54 D55 | R41-S51 PolarHBondContact NH2-OG 2.87Å; S51-I53 PolarHBondContact O-N 3.34Å; S51-A54 PolarHBondContact O-N 3.01Å; S51-D55 WeakPolarHBondContact O-CB 3.42Å; S51-D55 PolarHBondContact O-N 2.9Å; S51-D55 VanDerWaalsContact O-OD2 3.06Å; S51-D55 PolarHBondContact OG-OD2 3.44Å |
| 52 | D | 93.2 | Very high | 93.7 | Very high | 121 Ų | 121 | 47.2 Ų | 47.2 | 65% | 0.647 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -64 | -42.5 | -177.4 | -62.3 | -20.6 | 0 | 0 | 0 | 111.5 | E50 A54 D55 D56 | E50-D52 VanDerWaalsContact C-N 3.26Å; E50-D52 PolarHBondContact O-N 3.38Å; D52-A54 VanDerWaalsContact C-N 3.35Å; D52-A54 PolarHBondContact O-N 3.42Å; D52-D55 WeakPolarHBondContact O-CB 3.43Å; D52-D55 PolarHBondContact O-N 3.27Å; D52-D56 PolarHBondContact O-N 3.21Å |
| 53 | I | 93.7 | Very high | 93.5 | Very high | 79 Ų | 79 | 49.2 Ų | 49.2 | 41% | 0.405 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 175.3 | -58.9 | 175.2 | 0 | 0 | 0 | 110.8 | I49 E50 S51 D56 A57 L147 | I49-I53 HydrophobicContact CG2-CB 3.75Å; I49-I53 HydrophobicContact CG2-CG2 3.67Å; E50-I53 HydrophobicContact CB-CD1 4.18Å; E50-I53 HydrophobicContact CB-CG1 4.3Å; E50-I53 PolarHBondContact O-N 3.47Å; S51-I53 PolarHBondContact O-N 3.34Å; I53-D56 PolarHBondContact O-N 3.08Å; I53-A57 WeakPolarHBondContact O-CB 3.42Å; I53-A57 PolarHBondContact O-N 2.92Å; I53-L147 HydrophobicContact CG2-CD2 4.31Å |
| 54 | A | 93.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.9 | -37.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R41 L44 I45 E50 S51 D52 A57 F58 | R41-A54 HydrophobicContact CG-CB 4.12Å; L44-A54 HydrophobicContact CB-CB 3.97Å; L44-A54 HydrophobicContact CD1-CB 4.44Å; I45-A54 HydrophobicContact CD1-CB 4.19Å; I45-A54 HydrophobicContact CG1-CB 3.63Å; E50-A54 PolarHBondContact O-N 3.18Å; S51-A54 PolarHBondContact O-N 3.01Å; D52-A54 VanDerWaalsContact C-N 3.35Å; D52-A54 PolarHBondContact O-N 3.42Å; A54-A57 PolarHBondContact O-N 3.35Å; A54-F58 WeakPolarHBondContact O-CB 3.47Å; A54-F58 PolarHBondContact O-N 3.45Å |
| 55 | D | 91.1 | Very high | 92.9 | Very high | 23 Ų | 23 | 52.5 Ų | 52.5 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 172.7 | -82 | -47.1 | 0 | 0 | 0 | 111.1 | R41 S51 D52 A57 F58 E59 | R41-D55 IonicContact CZ-OD1 2.92Å; R41-D55 IonicContact CZ-OD2 2.62Å; R41-D55 IonicContact NE-OD1 3.85Å; R41-D55 PolarHBondContact NE-OD1 3.45Å; R41-D55 IonicContact NE-OD2 3.35Å; R41-D55 IonicContact NH2-OD1 3.81Å; R41-D55 PolarHBondContact NH2-OD1 2.94Å; R41-D55 IonicContact NH2-OD2 3.57Å; R41-D55 PolarHBondContact NH2-OD2 2.97Å; S51-D55 WeakPolarHBondContact O-CB 3.42Å; S51-D55 PolarHBondContact O-N 2.9Å; S51-D55 VanDerWaalsContact O-OD2 3.06Å; S51-D55 PolarHBondContact OG-OD2 3.44Å; D52-D55 WeakPolarHBondContact O-CB 3.43Å; D52-D55 PolarHBondContact O-N 3.27Å; D55-A57 PolarHBondContact O-N 2.84Å; D55-F58 WeakPolarHBondContact O-CB 3.38Å; D55-F58 PolarHBondContact O-N 3.36Å; D55-E59 WeakPolarHBondContact O-CG 3.41Å; D55-E59 PolarHBondContact O-N 3.46Å |
| 56 | D | 91.6 | Very high | 92.5 | Very high | 98 Ų | 98 | 50.2 Ų | 50.2 | 52% | 0.524 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 175.8 | -78.4 | -20.5 | 0 | 0 | 0 | 112.2 | D52 I53 E59 R60 | D52-D56 PolarHBondContact O-N 3.21Å; I53-D56 PolarHBondContact O-N 3.08Å; D56-E59 PolarHBondContact O-N 3.4Å; D56-R60 WeakPolarHBondContact O-CB 3.4Å; D56-R60 PolarHBondContact O-N 3.03Å |
| 57 | A | 93.5 | Very high | 92.3 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L44 I53 A54 D55 E59 R60 L61 V144 L147 | L44-A57 HydrophobicContact CD1-CB 3.84Å; I53-A57 WeakPolarHBondContact O-CB 3.42Å; I53-A57 PolarHBondContact O-N 2.92Å; A54-A57 PolarHBondContact O-N 3.35Å; D55-A57 PolarHBondContact O-N 2.84Å; A57-E59 PolarHBondContact O-N 3.08Å; A57-R60 PolarHBondContact O-N 2.78Å; A57-L61 VanDerWaalsContact O-CG 3.32Å; A57-L61 WeakPolarHBondContact O-CG 3.49Å; A57-L61 PolarHBondContact O-N 2.96Å; A57-L61 VanDerWaalsContact O-N 3.11Å; A57-V144 HydrophobicContact CB-CG1 4.27Å; A57-V144 HydrophobicContact CB-CG2 4.06Å; A57-L147 HydrophobicContact CB-CD2 4.44Å |
| 58 | F | 92 | Very high | 92 | Very high | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.3 | -51.1 | 174.1 | 168.2 | -104.5 | 0 | 0 | 0 | 111.4 | L18 L19 V34 A37 W38 R41 A54 D55 R60 L61 L62 | L18-F58 HydrophobicContact CD2-CD1 3.61Å; L18-F58 HydrophobicContact CD2-CE1 3.32Å; L18-F58 HydrophobicContact CD2-CZ 4.14Å; L18-F58 HydrophobicContact CG-CE1 4.19Å; L19-F58 HydrophobicContact CD2-CE1 4.4Å; L19-F58 HydrophobicContact CD2-CZ 4.03Å; V34-F58 HydrophobicContact CG1-CZ 4.47Å; A37-F58 VanDerWaalsContact C-CD2 3.5Å; A37-F58 HydrophobicContact CB-CD2 3.68Å; A37-F58 HydrophobicContact CB-CE2 3.81Å; W38-F58 HydrophobicContact CB-CE2 4.07Å; W38-F58 HydrophobicContact CE3-CE2 4.19Å; W38-F58 HydrophobicContact CE3-CZ 4.36Å; R41-F58 HydrophobicContact CB-CB 4.03Å; R41-F58 HydrophobicContact CB-CD2 4.39Å; R41-F58 HydrophobicContact CB-CG 4.5Å; R41-F58 HydrophobicContact CG-CB 4.12Å; A54-F58 WeakPolarHBondContact O-CB 3.47Å; A54-F58 PolarHBondContact O-N 3.45Å; D55-F58 WeakPolarHBondContact O-CB 3.38Å; D55-F58 PolarHBondContact O-N 3.36Å; F58-R60 VanDerWaalsContact C-N 3.34Å; F58-R60 PolarHBondContact O-N 3.45Å; F58-L61 PolarHBondContact O-N 3.05Å; F58-L62 HydrophobicContact CD1-CD1 4.49Å; F58-L62 HydrophobicContact CE1-CD1 3.77Å; F58-L62 HydrophobicContact CE2-CD1 4.04Å; F58-L62 HydrophobicContact CE2-CG 4.44Å; F58-L62 HydrophobicContact CZ-CD1 3.53Å; F58-L62 HydrophobicContact CZ-CG 4.38Å; F58-L62 PolarHBondContact O-N 3.4Å |
| 59 | E | 90.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.8 | -39.2 | -179.4 | -72.3 | -171.2 | -166.1 | 0 | 0 | 113 | R22 F24 D55 D56 A57 L61 L62 K63 | R22-E59 WeakPolarHBondContact CD-OE1 3.42Å; R22-E59 IonicContact CZ-OE1 2.83Å; R22-E59 IonicContact CZ-OE2 2.83Å; R22-E59 IonicContact NE-OE1 3.66Å; R22-E59 PolarHBondContact NE-OE1 3.37Å; R22-E59 IonicContact NH1-OE1 2.88Å; R22-E59 PolarHBondContact NH1-OE1 3.03Å; R22-E59 IonicContact NH1-OE2 2.71Å; R22-E59 PolarHBondContact NH1-OE2 2.98Å; R22-E59 IonicContact NH2-OE1 2.74Å; F24-E59 HydrophobicContact CE2-CB 4.36Å; F24-E59 HydrophobicContact CE2-CG 3.64Å; F24-E59 HydrophobicContact CZ-CB 3.88Å; F24-E59 HydrophobicContact CZ-CG 3.64Å; D55-E59 WeakPolarHBondContact O-CG 3.41Å; D55-E59 PolarHBondContact O-N 3.46Å; D56-E59 PolarHBondContact O-N 3.4Å; A57-E59 PolarHBondContact O-N 3.08Å; E59-L61 VanDerWaalsContact C-N 3.32Å; E59-L61 PolarHBondContact O-N 3.39Å; E59-L62 PolarHBondContact O-N 2.84Å; E59-K63 WeakPolarHBondContact O-CB 3.29Å; E59-K63 WeakPolarHBondContact O-CG 3.26Å; E59-K63 PolarHBondContact O-N 3.07Å; E59-K63 IonicContact OE2-NZ 3.28Å; E59-K63 PolarHBondContact OE2-NZ 3.44Å |
| 60 | R | 91.1 | Very high | 91.1 | Very high | 59 Ų | 59 | 51.4 Ų | 51.4 | 22% | 0.223 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 179.3 | -168.5 | 58.2 | 53.8 | 168.4 | 8 | 110.9 | D56 A57 F58 L62 K63 V64 S140 V144 | D56-R60 WeakPolarHBondContact O-CB 3.4Å; D56-R60 PolarHBondContact O-N 3.03Å; A57-R60 PolarHBondContact O-N 2.78Å; F58-R60 VanDerWaalsContact C-N 3.34Å; F58-R60 PolarHBondContact O-N 3.45Å; R60-L62 VanDerWaalsContact C-N 3.27Å; R60-L62 PolarHBondContact O-N 3.05Å; R60-K63 PolarHBondContact O-N 2.83Å; R60-V64 VanDerWaalsContact O-CG2 3.27Å; R60-V64 WeakPolarHBondContact O-CG2 3.42Å; R60-V64 PolarHBondContact O-N 3.3Å; R60-S140 VanDerWaalsContact CD-OG 3.27Å; R60-S140 WeakPolarHBondContact CD-OG 3.47Å; R60-S140 VanDerWaalsContact CZ-CB 3.46Å; R60-S140 PolarHBondContact NE-OG 3.32Å; R60-S140 VanDerWaalsContact NE-OG 3.08Å; R60-S140 PolarHBondContact NH1-OG 3.4Å; R60-V144 HydrophobicContact CB-CG2 3.88Å; R60-V144 HydrophobicContact CG-CG2 3.94Å |
| 61 | L | 91.9 | Very high | 90.8 | Very high | 52 Ų | 52 | 46 Ų | 46 | 27% | 0.272 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.7 | -41.1 | 176 | -68 | 167.1 | 0 | 0 | 0 | 111.5 | A37 I40 A57 F58 E59 N65 V144 | A37-L61 HydrophobicContact CB-CB 4.23Å; A37-L61 HydrophobicContact CB-CD1 4.35Å; I40-L61 HydrophobicContact CB-CD1 4.44Å; I40-L61 HydrophobicContact CD1-CD1 4.01Å; I40-L61 HydrophobicContact CG2-CD1 4.13Å; A57-L61 VanDerWaalsContact O-CG 3.32Å; A57-L61 WeakPolarHBondContact O-CG 3.49Å; A57-L61 PolarHBondContact O-N 2.96Å; A57-L61 VanDerWaalsContact O-N 3.11Å; F58-L61 PolarHBondContact O-N 3.05Å; E59-L61 VanDerWaalsContact C-N 3.32Å; E59-L61 PolarHBondContact O-N 3.39Å; L61-N65 PolarHBondContact O-N 3.43Å; L61-V144 HydrophobicContact CD2-CG1 4.14Å; L61-V144 HydrophobicContact CG-CG1 4.2Å |
| 62 | L | 90.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70.4 | -40.1 | 176.5 | -63.3 | -169.5 | 0 | 0 | 0 | 113 | L19 F24 N28 L33 V34 A37 F58 E59 R60 G66 | L19-L62 HydrophobicContact CD2-CD1 4.16Å; F24-L62 HydrophobicContact CB-CD1 4.03Å; F24-L62 HydrophobicContact CD1-CB 4.06Å; F24-L62 HydrophobicContact CD1-CD1 4.19Å; F24-L62 HydrophobicContact CD2-CD1 4.28Å; F24-L62 HydrophobicContact CE1-CB 4.28Å; F24-L62 HydrophobicContact CG-CD1 3.93Å; N28-L62 PolarHBondContact ND2-O 2.88Å; N28-L62 PolarHBondContact OD1-O 3.32Å; L33-L62 HydrophobicContact CD2-CD2 3.5Å; V34-L62 HydrophobicContact CG2-CD2 4.26Å; A37-L62 HydrophobicContact CB-CD2 3.85Å; A37-L62 HydrophobicContact CB-CG 4.36Å; F58-L62 HydrophobicContact CD1-CD1 4.49Å; F58-L62 HydrophobicContact CE1-CD1 3.77Å; F58-L62 HydrophobicContact CE2-CD1 4.04Å; F58-L62 HydrophobicContact CE2-CG 4.44Å; F58-L62 HydrophobicContact CZ-CD1 3.53Å; F58-L62 HydrophobicContact CZ-CG 4.38Å; F58-L62 PolarHBondContact O-N 3.4Å; E59-L62 PolarHBondContact O-N 2.84Å; R60-L62 VanDerWaalsContact C-N 3.27Å; R60-L62 PolarHBondContact O-N 3.05Å; L62-G66 PolarHBondContact O-N 3.44Å |
| 63 | K | 90.1 | Very high | 90.2 | Very high | 77 Ų | 77 | 50 Ų | 50 | 34% | 0.335 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.8 | -38.4 | 178.4 | -74.3 | 173.9 | -179.6 | 160.7 | 0 | 111.5 | F24 E59 R60 G66 K67 F137 | F24-K63 HydrophobicContact CE1-CG 3.88Å; F24-K63 HydrophobicContact CZ-CG 4.49Å; E59-K63 WeakPolarHBondContact O-CB 3.29Å; E59-K63 WeakPolarHBondContact O-CG 3.26Å; E59-K63 PolarHBondContact O-N 3.07Å; E59-K63 IonicContact OE2-NZ 3.28Å; E59-K63 PolarHBondContact OE2-NZ 3.44Å; R60-K63 PolarHBondContact O-N 2.83Å; K63-G66 PolarHBondContact O-N 2.75Å; K63-K67 WeakPolarHBondContact O-CG 3.42Å; K63-K67 PolarHBondContact O-N 3.33Å; K63-F137 HydrophobicContact CB-CE2 3.98Å; K63-F137 HydrophobicContact CB-CZ 4Å |
| 64 | V | 91.8 | Very high | 89.9 | Confident | 18 Ų | 18 | 49.6 Ų | 49.6 | 11% | 0.109 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.8 | -52.2 | 176.3 | 167.9 | 0 | 0 | 0 | 0 | 110.9 | R60 G66 K67 F68 I125 L129 F137 I141 | R60-V64 VanDerWaalsContact O-CG2 3.27Å; R60-V64 WeakPolarHBondContact O-CG2 3.42Å; R60-V64 PolarHBondContact O-N 3.3Å; V64-G66 VanDerWaalsContact C-N 3.29Å; V64-G66 PolarHBondContact O-N 3.24Å; V64-K67 PolarHBondContact O-N 3.08Å; V64-F68 HydrophobicContact CG1-CD2 3.98Å; V64-F68 HydrophobicContact CG1-CE2 3.9Å; V64-F68 WeakPolarHBondContact O-CD2 3.21Å; V64-F68 PolarHBondContact O-N 3.45Å; V64-I125 HydrophobicContact CG1-CG2 3.78Å; V64-L129 HydrophobicContact CG1-CD1 4.19Å; V64-F137 HydrophobicContact CG2-CE1 4.28Å; V64-F137 HydrophobicContact CG2-CZ 4.33Å; V64-I141 HydrophobicContact CG2-CD1 3.86Å; V64-I141 HydrophobicContact CG2-CG1 3.57Å |
| 65 | N | 89.3 | Confident | 89.7 | Confident | 54 Ų | 54 | 60.4 Ų | 60.4 | 29% | 0.289 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 177.9 | -174.5 | 68.2 | 0 | 0 | 0 | 111.8 | N28 L33 L61 K67 F68 R69 | N28-N65 WeakPolarHBondContact OD1-CB 3.15Å; N28-N65 PolarHBondContact OD1-ND2 3.31Å; L33-N65 HydrophobicContact CD1-CB 3.84Å; L33-N65 VanDerWaalsContact CD1-CG 3.44Å; L33-N65 HydrophobicContact CD2-CB 4.18Å; L61-N65 PolarHBondContact O-N 3.43Å; N65-K67 PolarHBondContact O-N 2.92Å; N65-F68 PolarHBondContact O-N 3.35Å; N65-R69 WeakPolarHBondContact O-CB 3.3Å; N65-R69 PolarHBondContact O-N 3Å |
| 66 | G | 87.5 | Confident | 89.7 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 8% | 0.082 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.8 | -44.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L62 K63 V64 R69 A70 | L62-G66 PolarHBondContact O-N 3.44Å; K63-G66 PolarHBondContact O-N 2.75Å; V64-G66 VanDerWaalsContact C-N 3.29Å; V64-G66 PolarHBondContact O-N 3.24Å; G66-R69 PolarHBondContact O-N 2.95Å; G66-A70 WeakPolarHBondContact O-CB 3.13Å; G66-A70 PolarHBondContact O-N 2.91Å |
| 67 | K | 89.9 | Confident | 89.7 | Confident | 95 Ų | 95 | 58.5 Ų | 58.5 | 41% | 0.413 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.1 | -46.5 | 177.5 | -72.4 | -64.4 | -173.1 | 177.2 | 0 | 111.9 | K63 V64 N65 R69 A70 L71 L129 V133 F137 | K63-K67 WeakPolarHBondContact O-CG 3.42Å; K63-K67 PolarHBondContact O-N 3.33Å; V64-K67 PolarHBondContact O-N 3.08Å; N65-K67 PolarHBondContact O-N 2.92Å; K67-R69 VanDerWaalsContact C-N 3.27Å; K67-R69 PolarHBondContact O-N 3.2Å; K67-A70 PolarHBondContact O-N 3.47Å; K67-L71 WeakPolarHBondContact O-CB 3.31Å; K67-L71 VanDerWaalsContact O-CG 3.25Å; K67-L71 WeakPolarHBondContact O-CG 3.42Å; K67-L71 PolarHBondContact O-N 3.34Å; K67-L129 HydrophobicContact CB-CD2 4.42Å; K67-V133 HydrophobicContact CD-CG1 4.28Å; K67-V133 HydrophobicContact CG-CG1 4.35Å; K67-F137 HydrophobicContact CG-CE1 4.11Å; K67-F137 HydrophobicContact CG-CE2 4.42Å; K67-F137 HydrophobicContact CG-CZ 3.79Å |
| 68 | F | 90.5 | Very high | 89.7 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.4 | -44 | 173.6 | -86.6 | -71.8 | 0 | 0 | 0 | 112.2 | V64 N65 K72 F77 I85 L88 I125 I128 L129 | V64-F68 HydrophobicContact CG1-CD2 3.98Å; V64-F68 HydrophobicContact CG1-CE2 3.9Å; V64-F68 WeakPolarHBondContact O-CD2 3.21Å; V64-F68 PolarHBondContact O-N 3.45Å; N65-F68 PolarHBondContact O-N 3.35Å; F68-K72 VanDerWaalsContact O-CB 3.24Å; F68-K72 WeakPolarHBondContact O-CB 3.43Å; F68-K72 PolarHBondContact O-N 3.28Å; F68-F77 HydrophobicContact CD1-CE2 4.27Å; F68-F77 AromaticContact CD1-CZ 3.71Å; F68-F77 HydrophobicContact CD1-CZ 3.71Å; F68-F77 HydrophobicContact CE1-CZ 4.21Å; F68-I85 HydrophobicContact CD1-CD1 4.37Å; F68-I85 HydrophobicContact CD1-CG1 4.4Å; F68-I85 HydrophobicContact CE1-CD1 4.32Å; F68-I85 HydrophobicContact CE1-CG1 3.99Å; F68-L88 HydrophobicContact CZ-CD2 4Å; F68-I125 HydrophobicContact CE2-CG1 4.25Å; F68-I125 HydrophobicContact CE2-CG2 3.89Å; F68-I125 HydrophobicContact CZ-CG1 4.4Å; F68-I125 HydrophobicContact CZ-CG2 4.29Å; F68-I128 HydrophobicContact CE1-CB 4.32Å; F68-I128 HydrophobicContact CE1-CG2 3.7Å; F68-I128 HydrophobicContact CZ-CB 4.39Å; F68-I128 HydrophobicContact CZ-CG2 4.25Å; F68-L129 HydrophobicContact CD1-CD2 4.2Å; F68-L129 HydrophobicContact CD2-CD1 4.18Å; F68-L129 HydrophobicContact CD2-CD2 4.25Å; F68-L129 HydrophobicContact CD2-CG 4.45Å; F68-L129 HydrophobicContact CE1-CD2 4.06Å; F68-L129 HydrophobicContact CE1-CG 4.34Å; F68-L129 HydrophobicContact CE2-CD1 3.77Å; F68-L129 HydrophobicContact CE2-CD2 4.14Å; F68-L129 HydrophobicContact CE2-CG 3.91Å; F68-L129 HydrophobicContact CG-CD2 4.28Å; F68-L129 HydrophobicContact CZ-CD1 4.22Å; F68-L129 HydrophobicContact CZ-CD2 4.03Å; F68-L129 HydrophobicContact CZ-CG 3.83Å |
| 69 | R | 87.7 | Confident | 89.7 | Confident | 113 Ų | 113 | 70.1 Ų | 70.1 | 43% | 0.426 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.6 | -47.9 | 179.2 | -173.5 | 178.6 | 175.5 | -147.2 | -0.3 | 111.9 | L26 V27 N65 G66 K67 L71 K72 T73 | L26-R69 PolarHBondContact O-NH1 3.47Å; V27-R69 PolarHBondContact O-NH1 3.19Å; N65-R69 WeakPolarHBondContact O-CB 3.3Å; N65-R69 PolarHBondContact O-N 3Å; G66-R69 PolarHBondContact O-N 2.95Å; K67-R69 VanDerWaalsContact C-N 3.27Å; K67-R69 PolarHBondContact O-N 3.2Å; R69-L71 PolarHBondContact O-N 3.11Å; R69-K72 PolarHBondContact O-N 3.02Å; R69-T73 PolarHBondContact O-N 2.83Å; R69-T73 PolarHBondContact O-OG1 2.9Å |
| 70 | A | 85.5 | Confident | 89.8 | Confident | 56 Ų | 56 | 75.1 Ų | 75.1 | 46% | 0.463 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.5 | -49.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | G66 K67 K72 T73 S74 | G66-A70 WeakPolarHBondContact O-CB 3.13Å; G66-A70 PolarHBondContact O-N 2.91Å; K67-A70 PolarHBondContact O-N 3.47Å; A70-K72 VanDerWaalsContact C-N 3.33Å; A70-K72 PolarHBondContact O-N 3.22Å; A70-T73 PolarHBondContact O-N 3.38Å; A70-S74 PolarHBondContact O-N 3.36Å; A70-S74 PolarHBondContact O-OG 3.34Å |
| 71 | L | 89.2 | Confident | 90 | Very high | 21 Ų | 21 | 72.9 Ų | 72.9 | 11% | 0.11 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.6 | -35.3 | 179.1 | -67.4 | 169.3 | 0 | 0 | 0 | 112.8 | K67 R69 S74 R75 S76 F77 L129 H132 | K67-L71 WeakPolarHBondContact O-CB 3.31Å; K67-L71 VanDerWaalsContact O-CG 3.25Å; K67-L71 WeakPolarHBondContact O-CG 3.42Å; K67-L71 PolarHBondContact O-N 3.34Å; R69-L71 PolarHBondContact O-N 3.11Å; L71-S74 WeakPolarHBondContact CA-OG 3.34Å; L71-S74 PolarHBondContact O-OG 2.91Å; L71-R75 PolarHBondContact O-N 3.48Å; L71-R75 VanDerWaalsContact O-N 3.14Å; L71-S76 PolarHBondContact O-N 3.28Å; L71-F77 HydrophobicContact CB-CD2 4.11Å; L71-F77 HydrophobicContact CB-CE1 3.99Å; L71-F77 HydrophobicContact CB-CE2 3.44Å; L71-F77 VanDerWaalsContact CB-CE2 3.44Å; L71-F77 HydrophobicContact CB-CZ 3.38Å; L71-F77 HydrophobicContact CD1-CE1 3.8Å; L71-F77 HydrophobicContact CD1-CZ 3.65Å; L71-F77 HydrophobicContact CG-CZ 4.17Å; L71-L129 HydrophobicContact CD1-CD2 3.78Å; L71-H132 HydrophobicContact CD1-CB 3.48Å; L71-H132 VanDerWaalsContact CD1-CB 3.48Å; L71-H132 HydrophobicContact CD2-CB 3.84Å; L71-H132 HydrophobicContact CG-CB 4.32Å |
| 72 | K | 87.6 | Confident | 90 | Very high | 151 Ų | 151 | 73.9 Ų | 73.9 | 66% | 0.657 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.7 | -44.2 | 173.4 | -175.7 | 176.1 | -179.4 | 176.8 | 0 | 111.4 | F68 R69 A70 R75 F77 | F68-K72 VanDerWaalsContact O-CB 3.24Å; F68-K72 WeakPolarHBondContact O-CB 3.43Å; F68-K72 PolarHBondContact O-N 3.28Å; R69-K72 PolarHBondContact O-N 3.02Å; A70-K72 VanDerWaalsContact C-N 3.33Å; A70-K72 PolarHBondContact O-N 3.22Å; K72-R75 PolarHBondContact O-N 2.91Å; K72-F77 HydrophobicContact CB-CE2 4.29Å |
| 73 | T | 85.8 | Confident | 90.1 | Very high | 112 Ų | 112 | 81.5 Ų | 81.5 | 69% | 0.687 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.2 | -40.2 | 178.5 | -65.2 | 0 | 0 | 0 | 0 | 111.7 | R69 A70 R75 | R69-T73 PolarHBondContact O-N 2.83Å; R69-T73 PolarHBondContact O-OG1 2.9Å; A70-T73 PolarHBondContact O-N 3.38Å; T73-R75 PolarHBondContact O-N 3.15Å |
| 74 | S | 87.7 | Confident | 90.3 | Very high | 70 Ų | 70 | 79.6 Ų | 79.6 | 49% | 0.49 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -0.5 | 175.4 | 59.5 | 0 | 0 | 0 | 0 | 114 | A70 L71 S76 | A70-S74 PolarHBondContact O-N 3.36Å; A70-S74 PolarHBondContact O-OG 3.34Å; L71-S74 WeakPolarHBondContact CA-OG 3.34Å; L71-S74 PolarHBondContact O-OG 2.91Å; S74-S76 PolarHBondContact O-N 3.46Å; S74-S76 PolarHBondContact OG-OG 3.45Å |
| 75 | R | 89.2 | Confident | 90.5 | Very high | 227 Ų | 227 | 80.1 Ų | 80.1 | 86% | 0.857 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 35.5 | -176.1 | -55.5 | -179.2 | 179.7 | -177.9 | -0.5 | 112.9 | L71 K72 T73 F77 | L71-R75 PolarHBondContact O-N 3.48Å; L71-R75 VanDerWaalsContact O-N 3.14Å; K72-R75 PolarHBondContact O-N 2.91Å; T73-R75 PolarHBondContact O-N 3.15Å; R75-F77 VanDerWaalsContact C-N 3.35Å |
| 76 | S | 91.9 | Very high | 90.7 | Very high | 52 Ų | 52 | 79.8 Ų | 79.8 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | trans | -78.2 | -19.1 | -176 | -61.4 | 0 | 0 | 0 | 0 | 113.5 | L71 S74 H132 | L71-S76 PolarHBondContact O-N 3.28Å; S74-S76 PolarHBondContact O-N 3.46Å; S74-S76 PolarHBondContact OG-OG 3.45Å; S76-H132 PolarHBondContact O-CE1 2.9Å | ||
| 77 | F | 91.1 | Very high | 91.1 | Very high | 29 Ų | 29 | 86.4 Ų | 86.4 | 13% | 0.127 | 43% | 0.429 | C | S | . | . | trans | -72 | 130.7 | 179.8 | -67 | -58.7 | 0 | 0 | 0 | 112.1 | F68 L71 K72 R75 E81 I85 I128 H132 | F68-F77 HydrophobicContact CD1-CE2 4.27Å; F68-F77 AromaticContact CD1-CZ 3.71Å; F68-F77 HydrophobicContact CD1-CZ 3.71Å; F68-F77 HydrophobicContact CE1-CZ 4.21Å; L71-F77 HydrophobicContact CB-CD2 4.11Å; L71-F77 HydrophobicContact CB-CE1 3.99Å; L71-F77 HydrophobicContact CB-CE2 3.44Å; L71-F77 VanDerWaalsContact CB-CE2 3.44Å; L71-F77 HydrophobicContact CB-CZ 3.38Å; L71-F77 HydrophobicContact CD1-CE1 3.8Å; L71-F77 HydrophobicContact CD1-CZ 3.65Å; L71-F77 HydrophobicContact CG-CZ 4.17Å; K72-F77 HydrophobicContact CB-CE2 4.29Å; R75-F77 VanDerWaalsContact C-N 3.35Å; F77-E81 VanDerWaalsContact CA-OE2 3.29Å; F77-E81 WeakPolarHBondContact CA-OE2 3.32Å; F77-E81 HydrophobicContact CB-CB 4.16Å; F77-E81 HydrophobicContact CD1-CB 4.08Å; F77-I85 HydrophobicContact CB-CD1 4.36Å; F77-I85 HydrophobicContact CD1-CD1 3.81Å; F77-I85 HydrophobicContact CD2-CD1 3.48Å; F77-I85 VanDerWaalsContact CD2-CD1 3.48Å; F77-I85 HydrophobicContact CE1-CD1 3.88Å; F77-I85 HydrophobicContact CE2-CD1 3.54Å; F77-I85 HydrophobicContact CG-CD1 3.62Å; F77-I85 HydrophobicContact CZ-CD1 3.74Å; F77-I128 HydrophobicContact CD1-CG2 4.39Å; F77-I128 HydrophobicContact CE1-CG2 3.9Å; F77-H132 AromaticContact CD1-NE2 3.74Å | ||
| 78 | K | 93.3 | Very high | 91.3 | Very high | 125 Ų | 125 | 82.5 Ų | 82.5 | 54% | 0.543 | 41% | 0.412 | S | S | . | . | trans | -66.1 | 164.9 | 169 | -63.6 | 175.2 | -175.9 | 171.6 | 0 | 110.5 | N80 E81 T82 | K78-N80 WeakPolarHBondContact CB-OD1 3.28Å; K78-N80 PolarHBondContact O-N 3.28Å; K78-E81 HydrophobicContact CB-CG 4.23Å; K78-E81 PolarHBondContact N-OE2 2.67Å; K78-E81 PolarHBondContact O-N 3.34Å; K78-T82 PolarHBondContact O-N 3.35Å; K78-T82 PolarHBondContact O-OG1 3.38Å | ||
| 79 | L | 91.1 | Very high | 91.5 | Very high | 123 Ų | 123 | 86.8 Ų | 86.8 | 64% | 0.644 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.3 | -45.1 | -179.4 | -178.4 | 62.8 | 0 | 0 | 0 | 112.3 | E81 T82 Y83 | L79-E81 VanDerWaalsContact C-N 3.34Å; L79-E81 PolarHBondContact O-N 3.09Å; L79-T82 WeakPolarHBondContact O-CB 3.3Å; L79-T82 PolarHBondContact O-N 3.48Å; L79-Y83 HydrophobicContact CD1-CD2 4.34Å; L79-Y83 HydrophobicContact CD1-CE2 3.75Å; L79-Y83 HydrophobicContact CD2-CE2 4.25Å; L79-Y83 HydrophobicContact CG-CD2 4.15Å; L79-Y83 HydrophobicContact CG-CE2 3.7Å; L79-Y83 WeakPolarHBondContact O-CD2 3.43Å; L79-Y83 PolarHBondContact O-N 3.11Å; L79-Y83 VanDerWaalsContact O-N 3.09Å |
| 80 | N | 93.4 | Very high | 91.8 | Very high | 107 Ų | 107 | 85.6 Ų | 85.6 | 57% | 0.572 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.8 | -38.6 | 175.9 | 63.3 | -31.4 | 0 | 0 | 0 | 112.7 | K78 T82 Y83 A84 | K78-N80 WeakPolarHBondContact CB-OD1 3.28Å; K78-N80 PolarHBondContact O-N 3.28Å; N80-T82 VanDerWaalsContact C-N 3.33Å; N80-Y83 PolarHBondContact O-N 3.1Å; N80-A84 PolarHBondContact O-N 3.46Å |
| 81 | E | 94.3 | Very high | 92.2 | Very high | 12 Ų | 12 | 84.1 Ų | 84.1 | 6% | 0.056 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -67.7 | -35.9 | 175.5 | -64.5 | 170.2 | 156.2 | 0 | 0 | 111.2 | F77 K78 L79 A84 I85 H132 | F77-E81 VanDerWaalsContact CA-OE2 3.29Å; F77-E81 WeakPolarHBondContact CA-OE2 3.32Å; F77-E81 HydrophobicContact CB-CB 4.16Å; F77-E81 HydrophobicContact CD1-CB 4.08Å; K78-E81 HydrophobicContact CB-CG 4.23Å; K78-E81 PolarHBondContact N-OE2 2.67Å; K78-E81 PolarHBondContact O-N 3.34Å; L79-E81 VanDerWaalsContact C-N 3.34Å; L79-E81 PolarHBondContact O-N 3.09Å; E81-A84 PolarHBondContact O-N 2.97Å; E81-I85 WeakPolarHBondContact O-CB 3.27Å; E81-I85 WeakPolarHBondContact O-CD1 3.32Å; E81-I85 WeakPolarHBondContact O-CG1 3.46Å; E81-I85 PolarHBondContact O-N 3.28Å; E81-H132 IonicContact OE1-CD2 3.89Å; E81-H132 IonicContact OE1-CE1 3.48Å; E81-H132 IonicContact OE1-NE2 3.36Å; E81-H132 PolarHBondContact OE1-NE2 3.3Å; E81-H132 IonicContact OE2-CE1 3.42Å; E81-H132 PolarHBondContact OE2-CE1 2.98Å; E81-H132 IonicContact OE2-NE2 3.74Å; E81-H132 PolarHBondContact OE2-NE2 3.48Å |
| 82 | T | 92.2 | Very high | 92.5 | Very high | 73 Ų | 73 | 85.2 Ų | 85.2 | 45% | 0.448 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 175 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | K78 L79 N80 I85 A86 | K78-T82 PolarHBondContact O-N 3.35Å; K78-T82 PolarHBondContact O-OG1 3.38Å; L79-T82 WeakPolarHBondContact O-CB 3.3Å; L79-T82 PolarHBondContact O-N 3.48Å; N80-T82 VanDerWaalsContact C-N 3.33Å; T82-I85 PolarHBondContact O-N 2.7Å; T82-A86 PolarHBondContact O-N 3.03Å |
| 83 | Y | 93.4 | Very high | 92.8 | Very high | 161 Ų | 161 | 83.5 Ų | 83.5 | 63% | 0.631 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.9 | -43 | 171.5 | -74.2 | -65.8 | 0 | 0 | 0 | 112.2 | L79 N80 I85 A86 W87 | L79-Y83 HydrophobicContact CD1-CD2 4.34Å; L79-Y83 HydrophobicContact CD1-CE2 3.75Å; L79-Y83 HydrophobicContact CD2-CE2 4.25Å; L79-Y83 HydrophobicContact CG-CD2 4.15Å; L79-Y83 HydrophobicContact CG-CE2 3.7Å; L79-Y83 WeakPolarHBondContact O-CD2 3.43Å; L79-Y83 PolarHBondContact O-N 3.11Å; L79-Y83 VanDerWaalsContact O-N 3.09Å; N80-Y83 PolarHBondContact O-N 3.1Å; Y83-I85 VanDerWaalsContact C-N 3.31Å; Y83-I85 PolarHBondContact O-N 2.86Å; Y83-A86 PolarHBondContact O-N 3.22Å; Y83-W87 PolarHBondContact O-N 3.37Å |
| 84 | A | 94.9 | Very high | 93.2 | Very high | 36 Ų | 36 | 80.4 Ų | 80.4 | 30% | 0.298 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N80 E81 W87 L88 I128 | N80-A84 PolarHBondContact O-N 3.46Å; E81-A84 PolarHBondContact O-N 2.97Å; A84-W87 PolarHBondContact O-N 3.24Å; A84-L88 VanDerWaalsContact O-CB 3.32Å; A84-L88 WeakPolarHBondContact O-CB 3.27Å; A84-L88 PolarHBondContact O-N 3.07Å; A84-I128 HydrophobicContact CB-CD1 3.94Å; A84-I128 HydrophobicContact CB-CG1 3.85Å |
| 85 | I | 94.3 | Very high | 93.6 | Very high | 29 Ų | 29 | 78.6 Ų | 78.6 | 15% | 0.149 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 174.7 | -69.8 | 163.2 | 0 | 0 | 0 | 110.9 | F68 F77 E81 T82 Y83 W87 L88 Q89 I128 | F68-I85 HydrophobicContact CD1-CD1 4.37Å; F68-I85 HydrophobicContact CD1-CG1 4.4Å; F68-I85 HydrophobicContact CE1-CD1 4.32Å; F68-I85 HydrophobicContact CE1-CG1 3.99Å; F77-I85 HydrophobicContact CB-CD1 4.36Å; F77-I85 HydrophobicContact CD1-CD1 3.81Å; F77-I85 HydrophobicContact CD2-CD1 3.48Å; F77-I85 VanDerWaalsContact CD2-CD1 3.48Å; F77-I85 HydrophobicContact CE1-CD1 3.88Å; F77-I85 HydrophobicContact CE2-CD1 3.54Å; F77-I85 HydrophobicContact CG-CD1 3.62Å; F77-I85 HydrophobicContact CZ-CD1 3.74Å; E81-I85 WeakPolarHBondContact O-CB 3.27Å; E81-I85 WeakPolarHBondContact O-CD1 3.32Å; E81-I85 WeakPolarHBondContact O-CG1 3.46Å; E81-I85 PolarHBondContact O-N 3.28Å; T82-I85 PolarHBondContact O-N 2.7Å; Y83-I85 VanDerWaalsContact C-N 3.31Å; Y83-I85 PolarHBondContact O-N 2.86Å; I85-W87 VanDerWaalsContact C-N 3.3Å; I85-W87 PolarHBondContact O-N 3.16Å; I85-L88 PolarHBondContact O-N 2.94Å; I85-Q89 WeakPolarHBondContact O-CG 3.4Å; I85-Q89 PolarHBondContact O-N 3.34Å; I85-I128 HydrophobicContact CD1-CG2 4.19Å; I85-I128 HydrophobicContact CG1-CD1 4.11Å; I85-I128 HydrophobicContact CG1-CG2 3.91Å |
| 86 | A | 93.7 | Very high | 93.9 | Very high | 48 Ų | 48 | 68.4 Ų | 68.4 | 40% | 0.397 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T82 Y83 Q89 V90 | T82-A86 PolarHBondContact O-N 3.03Å; Y83-A86 PolarHBondContact O-N 3.22Å; A86-Q89 WeakPolarHBondContact O-CB 3.39Å; A86-Q89 PolarHBondContact O-N 3.25Å; A86-V90 PolarHBondContact O-N 2.65Å |
| 87 | W | 95.6 | Very high | 94 | Very high | 146 Ų | 146 | 70.3 Ų | 70.3 | 55% | 0.553 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64 | -44.9 | 175.3 | -171 | -106.1 | 0 | 0 | 0 | 112.4 | Y83 A84 I85 Q89 V90 E91 | Y83-W87 PolarHBondContact O-N 3.37Å; A84-W87 PolarHBondContact O-N 3.24Å; I85-W87 VanDerWaalsContact C-N 3.3Å; I85-W87 PolarHBondContact O-N 3.16Å; W87-Q89 PolarHBondContact O-N 3.12Å; W87-V90 WeakPolarHBondContact O-CB 3.46Å; W87-V90 PolarHBondContact O-N 2.79Å; W87-V90 VanDerWaalsContact O-N 3.12Å; W87-E91 HydrophobicContact CZ2-CG 4.35Å; W87-E91 PolarHBondContact NE1-OE1 3.03Å; W87-E91 PolarHBondContact O-N 3.38Å |
| 88 | L | 95.8 | Very high | 94.1 | Very high | 13 Ų | 13 | 71.8 Ų | 71.8 | 7% | 0.068 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -56.3 | -38.4 | 174.4 | 172.8 | 64.6 | 0 | 0 | 0 | 111.6 | F68 A84 I85 S92 L121 Q124 I125 I128 | F68-L88 HydrophobicContact CZ-CD2 4Å; A84-L88 VanDerWaalsContact O-CB 3.32Å; A84-L88 WeakPolarHBondContact O-CB 3.27Å; A84-L88 PolarHBondContact O-N 3.07Å; I85-L88 PolarHBondContact O-N 2.94Å; L88-S92 WeakPolarHBondContact O-CB 3.48Å; L88-S92 PolarHBondContact O-N 3.13Å; L88-S92 PolarHBondContact O-OG 3.4Å; L88-L121 HydrophobicContact CD1-CD2 3.87Å; L88-Q124 HydrophobicContact CD1-CB 4.03Å; L88-I125 HydrophobicContact CD1-CG1 4.08Å; L88-I125 HydrophobicContact CD2-CG1 3.69Å; L88-I128 HydrophobicContact CB-CD1 4.29Å; L88-I128 HydrophobicContact CD2-CD1 3.95Å |
| 89 | Q | 93.3 | Very high | 94.2 | Very high | 118 Ų | 118 | 67.9 Ų | 67.9 | 55% | 0.551 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.6 | -42.2 | 177.1 | -72.9 | 173.7 | -14.6 | 0 | 0 | 112.3 | I85 A86 W87 R93 | I85-Q89 WeakPolarHBondContact O-CG 3.4Å; I85-Q89 PolarHBondContact O-N 3.34Å; A86-Q89 WeakPolarHBondContact O-CB 3.39Å; A86-Q89 PolarHBondContact O-N 3.25Å; W87-Q89 PolarHBondContact O-N 3.12Å; Q89-R93 WeakPolarHBondContact O-CB 3.38Å; Q89-R93 PolarHBondContact O-N 3.09Å |
| 90 | V | 94.2 | Very high | 94.4 | Very high | 88 Ų | 88 | 62 Ų | 62 | 53% | 0.533 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.6 | -49.2 | 175.8 | 173.6 | 0 | 0 | 0 | 0 | 110.3 | A86 W87 R93 A94 | A86-V90 PolarHBondContact O-N 2.65Å; W87-V90 WeakPolarHBondContact O-CB 3.46Å; W87-V90 PolarHBondContact O-N 2.79Å; W87-V90 VanDerWaalsContact O-N 3.12Å; V90-R93 PolarHBondContact O-N 3.45Å; V90-A94 PolarHBondContact O-N 3.13Å |
| 91 | E | 95.1 | Very high | 94.4 | Very high | 25 Ų | 25 | 57.7 Ų | 57.7 | 12% | 0.117 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.6 | -38.6 | -178.9 | -66.8 | -163.9 | 159.1 | 0 | 0 | 112.7 | W87 R93 A94 F95 K120 L121 Q124 | W87-E91 HydrophobicContact CZ2-CG 4.35Å; W87-E91 PolarHBondContact NE1-OE1 3.03Å; W87-E91 PolarHBondContact O-N 3.38Å; E91-R93 VanDerWaalsContact C-N 3.28Å; E91-R93 PolarHBondContact O-N 2.95Å; E91-A94 PolarHBondContact O-N 3.29Å; E91-F95 WeakPolarHBondContact O-CB 3.45Å; E91-F95 PolarHBondContact O-N 3.44Å; E91-K120 VanDerWaalsContact CD-CE 3.5Å; E91-K120 WeakPolarHBondContact OE1-CE 3.35Å; E91-K120 IonicContact OE1-NZ 2.61Å; E91-K120 PolarHBondContact OE1-NZ 2.99Å; E91-K120 WeakPolarHBondContact OE2-CE 3.47Å; E91-K120 IonicContact OE2-NZ 3.43Å; E91-K120 PolarHBondContact OE2-NZ 2.99Å; E91-L121 HydrophobicContact CB-CD2 3.86Å; E91-Q124 VanDerWaalsContact OE2-CD 3.25Å; E91-Q124 PolarHBondContact OE2-NE2 3.37Å; E91-Q124 PolarHBondContact OE2-OE1 3.15Å; E91-Q124 VanDerWaalsContact OE2-OE1 3.07Å |
| 92 | S | 94.6 | Very high | 94.4 | Very high | 45 Ų | 45 | 57.4 Ų | 57.4 | 32% | 0.315 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 175.1 | -63.2 | 0 | 0 | 0 | 0 | 111.3 | L88 A96 | L88-S92 WeakPolarHBondContact O-CB 3.48Å; L88-S92 PolarHBondContact O-N 3.13Å; L88-S92 PolarHBondContact O-OG 3.4Å; S92-A96 VanDerWaalsContact O-CB 3.28Å; S92-A96 WeakPolarHBondContact O-CB 3.28Å; S92-A96 PolarHBondContact O-N 2.55Å |
| 93 | R | 93.9 | Very high | 94.5 | Very high | 115 Ų | 115 | 54.7 Ų | 54.7 | 43% | 0.434 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.2 | -46.2 | 176.3 | -177.3 | 177.3 | -178.7 | 140.2 | 7.6 | 111.8 | Q89 V90 E91 F95 A96 Q97 N178 | Q89-R93 WeakPolarHBondContact O-CB 3.38Å; Q89-R93 PolarHBondContact O-N 3.09Å; V90-R93 PolarHBondContact O-N 3.45Å; E91-R93 VanDerWaalsContact C-N 3.28Å; E91-R93 PolarHBondContact O-N 2.95Å; R93-F95 VanDerWaalsContact C-N 3.31Å; R93-F95 PolarHBondContact O-N 3.34Å; R93-A96 WeakPolarHBondContact O-CB 3.29Å; R93-A96 PolarHBondContact O-N 3.36Å; R93-Q97 WeakPolarHBondContact O-CG 3.36Å; R93-Q97 PolarHBondContact O-N 3.06Å; R93-N178 PolarHBondContact NH2-O 3.25Å; R93-N178 VanDerWaalsContact NH2-O 3.08Å |
| 94 | A | 93.9 | Very high | 94.5 | Very high | 47 Ų | 47 | 50.2 Ų | 50.2 | 39% | 0.388 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V90 E91 Q97 T98 | V90-A94 PolarHBondContact O-N 3.13Å; E91-A94 PolarHBondContact O-N 3.29Å; A94-Q97 WeakPolarHBondContact O-CB 3.39Å; A94-Q97 PolarHBondContact O-N 3.01Å; A94-T98 PolarHBondContact O-N 3.35Å; A94-T98 PolarHBondContact O-OG1 3.46Å |
| 95 | F | 96.2 | Very high | 94.2 | Very high | 32 Ų | 32 | 51.8 Ų | 51.8 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 177.2 | -172.3 | -118.4 | 0 | 0 | 0 | 112.7 | E91 R93 Q97 T98 I99 L114 I118 L121 | E91-F95 WeakPolarHBondContact O-CB 3.45Å; E91-F95 PolarHBondContact O-N 3.44Å; R93-F95 VanDerWaalsContact C-N 3.31Å; R93-F95 PolarHBondContact O-N 3.34Å; F95-Q97 VanDerWaalsContact C-N 3.3Å; F95-Q97 PolarHBondContact O-N 2.86Å; F95-T98 PolarHBondContact O-N 3.2Å; F95-I99 HydrophobicContact CD1-CD1 3.6Å; F95-I99 HydrophobicContact CD1-CG1 4.4Å; F95-I99 HydrophobicContact CE1-CD1 3.12Å; F95-I99 HydrophobicContact CE1-CG1 3.99Å; F95-I99 HydrophobicContact CE2-CD1 4.22Å; F95-I99 HydrophobicContact CE2-CG1 4.2Å; F95-I99 HydrophobicContact CG-CD1 4.34Å; F95-I99 HydrophobicContact CZ-CD1 3.44Å; F95-I99 VanDerWaalsContact CZ-CD1 3.44Å; F95-I99 HydrophobicContact CZ-CG1 3.84Å; F95-I99 PolarHBondContact O-N 3.18Å; F95-L114 HydrophobicContact CE2-CD2 4.07Å; F95-L114 HydrophobicContact CZ-CD2 4.44Å; F95-I118 HydrophobicContact CE1-CG1 3.75Å; F95-I118 HydrophobicContact CZ-CD1 4.46Å; F95-I118 HydrophobicContact CZ-CG1 3.58Å; F95-L121 HydrophobicContact CB-CD1 3.8Å; F95-L121 HydrophobicContact CD1-CD1 3.34Å; F95-L121 HydrophobicContact CE1-CD1 4.14Å; F95-L121 HydrophobicContact CG-CD1 3.77Å |
| 96 | A | 95.1 | Very high | 93.9 | Very high | 13 Ų | 13 | 54.6 Ų | 54.6 | 11% | 0.107 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59 | -40.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S92 R93 C100 V173 A177 | S92-A96 VanDerWaalsContact O-CB 3.28Å; S92-A96 WeakPolarHBondContact O-CB 3.28Å; S92-A96 PolarHBondContact O-N 2.55Å; R93-A96 WeakPolarHBondContact O-CB 3.29Å; R93-A96 PolarHBondContact O-N 3.36Å; A96-C100 PolarHBondContact O-N 3.48Å; A96-C100 PolarHBondContact O-SG 3.44Å; A96-V173 HydrophobicContact CB-CG1 3.67Å; A96-A177 HydrophobicContact CB-CB 3.9Å |
| 97 | Q | 94.2 | Very high | 93.8 | Very high | 92 Ų | 92 | 56.6 Ų | 56.6 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 173.6 | -71.7 | 172.6 | -25.2 | 0 | 0 | 111.5 | R93 A94 F95 I99 C100 A101 L179 | R93-Q97 WeakPolarHBondContact O-CG 3.36Å; R93-Q97 PolarHBondContact O-N 3.06Å; A94-Q97 WeakPolarHBondContact O-CB 3.39Å; A94-Q97 PolarHBondContact O-N 3.01Å; F95-Q97 VanDerWaalsContact C-N 3.3Å; F95-Q97 PolarHBondContact O-N 2.86Å; Q97-I99 PolarHBondContact O-N 3.39Å; Q97-C100 PolarHBondContact O-N 3.23Å; Q97-A101 WeakPolarHBondContact O-CB 3.45Å; Q97-A101 PolarHBondContact O-N 3.38Å; Q97-L179 HydrophobicContact CB-CD1 4.36Å; Q97-L179 HydrophobicContact CG-CD1 3.6Å; Q97-L179 HydrophobicContact CG-CD2 3.38Å; Q97-L179 HydrophobicContact CG-CG 4.14Å; Q97-L179 VanDerWaalsContact NE2-CD2 3.35Å |
| 98 | T | 94.6 | Very high | 93.7 | Very high | 60 Ų | 60 | 53.8 Ų | 53.8 | 37% | 0.368 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 178.1 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | A94 F95 C100 A101 V102 L114 | A94-T98 PolarHBondContact O-N 3.35Å; A94-T98 PolarHBondContact O-OG1 3.46Å; F95-T98 PolarHBondContact O-N 3.2Å; T98-C100 PolarHBondContact O-N 2.96Å; T98-A101 PolarHBondContact O-N 3.2Å; T98-V102 HydrophobicContact CG2-CG2 4.41Å; T98-V102 VanDerWaalsContact O-CG2 3.31Å; T98-V102 WeakPolarHBondContact O-CG2 3.45Å; T98-V102 PolarHBondContact O-N 2.91Å; T98-L114 HydrophobicContact CG2-CD2 4.31Å |
| 99 | I | 94.8 | Very high | 93.7 | Very high | 43 Ų | 43 | 55.8 Ų | 55.8 | 22% | 0.221 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.5 | -47.4 | 178.1 | -73.5 | 168.8 | 0 | 0 | 0 | 110.8 | F95 Q97 A101 V102 L103 L114 | F95-I99 HydrophobicContact CD1-CD1 3.6Å; F95-I99 HydrophobicContact CD1-CG1 4.4Å; F95-I99 HydrophobicContact CE1-CD1 3.12Å; F95-I99 HydrophobicContact CE1-CG1 3.99Å; F95-I99 HydrophobicContact CE2-CD1 4.22Å; F95-I99 HydrophobicContact CE2-CG1 4.2Å; F95-I99 HydrophobicContact CG-CD1 4.34Å; F95-I99 HydrophobicContact CZ-CD1 3.44Å; F95-I99 VanDerWaalsContact CZ-CD1 3.44Å; F95-I99 HydrophobicContact CZ-CG1 3.84Å; F95-I99 PolarHBondContact O-N 3.18Å; Q97-I99 PolarHBondContact O-N 3.39Å; I99-A101 PolarHBondContact O-N 3.05Å; I99-V102 PolarHBondContact O-N 3.49Å; I99-L103 HydrophobicContact CG2-CD1 3.56Å; I99-L103 HydrophobicContact CG2-CG 4.21Å; I99-L103 WeakPolarHBondContact O-CB 3.5Å; I99-L103 VanDerWaalsContact O-CG 3.27Å; I99-L103 WeakPolarHBondContact O-CG 3.24Å; I99-L103 PolarHBondContact O-N 2.96Å; I99-L114 HydrophobicContact CG1-CD2 4.07Å |
| 100 | C | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.6 | -48.2 | -179.9 | -65.5 | 0 | 0 | 0 | 0 | 110.8 | A96 Q97 T98 V102 L103 E104 V170 R174 | A96-C100 PolarHBondContact O-N 3.48Å; A96-C100 PolarHBondContact O-SG 3.44Å; Q97-C100 PolarHBondContact O-N 3.23Å; T98-C100 PolarHBondContact O-N 2.96Å; C100-V102 VanDerWaalsContact C-N 3.33Å; C100-V102 PolarHBondContact O-N 3.29Å; C100-L103 PolarHBondContact O-N 2.71Å; C100-E104 VanDerWaalsContact O-CB 3.32Å; C100-E104 WeakPolarHBondContact O-CB 3.3Å; C100-E104 VanDerWaalsContact O-CG 3.23Å; C100-E104 WeakPolarHBondContact O-CG 3.42Å; C100-E104 PolarHBondContact O-N 2.9Å; C100-V170 HydrophobicContact CB-CG1 4.17Å; C100-R174 HydrophobicContact CB-CG 4.28Å |
| 101 | A | 93.3 | Very high | 93.9 | Very high | 16 Ų | 16 | 50.1 Ų | 50.1 | 13% | 0.132 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.2 | -37.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q97 T98 I99 D105 S106 I107 | Q97-A101 WeakPolarHBondContact O-CB 3.45Å; Q97-A101 PolarHBondContact O-N 3.38Å; T98-A101 PolarHBondContact O-N 3.2Å; I99-A101 PolarHBondContact O-N 3.05Å; A101-D105 PolarHBondContact O-N 3.49Å; A101-S106 WeakPolarHBondContact O-CA 3.34Å; A101-S106 WeakPolarHBondContact O-CB 3.44Å; A101-S106 PolarHBondContact O-N 3.37Å; A101-I107 HydrophobicContact CB-CB 4.33Å; A101-I107 HydrophobicContact CB-CD1 3.59Å; A101-I107 HydrophobicContact CB-CG1 3.84Å; A101-I107 PolarHBondContact O-N 2.99Å; A101-I107 VanDerWaalsContact O-N 3.15Å |
| 102 | V | 95.1 | Very high | 93.9 | Very high | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.03 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.2 | -46.1 | 174.3 | 170.5 | 0 | 0 | 0 | 0 | 111 | T98 I99 C100 E104 D105 I107 F109 L114 F158 | T98-V102 HydrophobicContact CG2-CG2 4.41Å; T98-V102 VanDerWaalsContact O-CG2 3.31Å; T98-V102 WeakPolarHBondContact O-CG2 3.45Å; T98-V102 PolarHBondContact O-N 2.91Å; I99-V102 PolarHBondContact O-N 3.49Å; C100-V102 VanDerWaalsContact C-N 3.33Å; C100-V102 PolarHBondContact O-N 3.29Å; V102-E104 PolarHBondContact O-N 2.85Å; V102-D105 PolarHBondContact O-N 3.49Å; V102-I107 HydrophobicContact CG2-CB 4.12Å; V102-I107 HydrophobicContact CG2-CG2 4.07Å; V102-F109 HydrophobicContact CG1-CB 4.12Å; V102-F109 HydrophobicContact CG1-CD2 3.9Å; V102-L114 HydrophobicContact CG1-CD1 4.28Å; V102-F158 HydrophobicContact CG1-CD2 3.84Å; V102-F158 HydrophobicContact CG1-CE2 4.01Å; V102-F158 WeakPolarHBondContact O-CE2 3.34Å |
| 103 | L | 94.5 | Very high | 93.9 | Very high | 17 Ų | 17 | 58.6 Ų | 58.6 | 9% | 0.089 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -71.4 | -20 | -178.2 | -65.3 | 175.6 | 0 | 0 | 0 | 113.5 | I99 C100 V157 R161 V166 V170 | I99-L103 HydrophobicContact CG2-CD1 3.56Å; I99-L103 HydrophobicContact CG2-CG 4.21Å; I99-L103 WeakPolarHBondContact O-CB 3.5Å; I99-L103 VanDerWaalsContact O-CG 3.27Å; I99-L103 WeakPolarHBondContact O-CG 3.24Å; I99-L103 PolarHBondContact O-N 2.96Å; C100-L103 PolarHBondContact O-N 2.71Å; L103-V157 HydrophobicContact CD2-CG1 3.99Å; L103-R161 HydrophobicContact CD2-CB 4.27Å; L103-V166 HydrophobicContact CB-CG1 4.29Å; L103-V166 HydrophobicContact CD1-CG1 3.86Å; L103-V166 HydrophobicContact CD2-CG1 4.04Å; L103-V166 HydrophobicContact CG-CG1 4.28Å; L103-V170 HydrophobicContact CB-CG2 3.65Å; L103-V170 HydrophobicContact CD1-CG2 3.65Å; L103-V170 HydrophobicContact CG-CG2 4.31Å |
| 104 | E | 92.5 | Very high | 94.1 | Very high | 66 Ų | 66 | 53.8 Ų | 53.8 | 31% | 0.308 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 9.9 | 175.8 | -69.2 | 166.1 | 167.5 | 0 | 0 | 113.6 | C100 V102 S106 V170 R174 | C100-E104 VanDerWaalsContact O-CB 3.32Å; C100-E104 WeakPolarHBondContact O-CB 3.3Å; C100-E104 VanDerWaalsContact O-CG 3.23Å; C100-E104 WeakPolarHBondContact O-CG 3.42Å; C100-E104 PolarHBondContact O-N 2.9Å; V102-E104 PolarHBondContact O-N 2.85Å; E104-S106 PolarHBondContact O-N 3.5Å; E104-V170 HydrophobicContact CG-CG1 4.03Å; E104-V170 WeakPolarHBondContact OE1-CG1 3.45Å; E104-R174 IonicContact OE1-CZ 3.52Å; E104-R174 IonicContact OE1-NE 2.65Å; E104-R174 PolarHBondContact OE1-NE 3.23Å; E104-R174 IonicContact OE1-NH2 2.7Å; E104-R174 PolarHBondContact OE1-NH2 2.99Å; E104-R174 IonicContact OE2-CZ 2.98Å; E104-R174 IonicContact OE2-NE 3.12Å; E104-R174 IonicContact OE2-NH2 2.78Å; E104-R174 PolarHBondContact OE2-NH2 3.08Å |
| 105 | D | 88.8 | Confident | 94.2 | Very high | 70 Ų | 70 | 52.3 Ų | 52.3 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 17.7 | -177.7 | -62.1 | -65.8 | 0 | 0 | 0 | 114.2 | A101 V102 R161 K162 | A101-D105 PolarHBondContact O-N 3.49Å; V102-D105 PolarHBondContact O-N 3.49Å; D105-R161 VanDerWaalsContact CG-NE 3.25Å; D105-R161 IonicContact OD1-CZ 3.61Å; D105-R161 IonicContact OD1-NE 3.97Å; D105-R161 PolarHBondContact OD1-NE 3.2Å; D105-R161 IonicContact OD1-NH2 2.73Å; D105-R161 PolarHBondContact OD1-NH2 3.38Å; D105-R161 IonicContact OD2-CZ 2.81Å; D105-R161 IonicContact OD2-NE 2.63Å; D105-R161 PolarHBondContact OD2-NE 2.9Å; D105-R161 VanDerWaalsContact OD2-NE 3.12Å; D105-R161 IonicContact OD2-NH2 2.97Å; D105-K162 IonicContact OD2-NZ 3.13Å; D105-K162 PolarHBondContact OD2-NZ 3.45Å |
| 106 | S | 88.7 | Confident | 94.3 | Very high | 88 Ų | 88 | 58.4 Ų | 58.4 | 62% | 0.615 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -82.3 | -22.4 | 176 | -57.4 | 0 | 0 | 0 | 0 | 112.8 | A101 E104 | A101-S106 WeakPolarHBondContact O-CA 3.34Å; A101-S106 WeakPolarHBondContact O-CB 3.44Å; A101-S106 PolarHBondContact O-N 3.37Å; E104-S106 PolarHBondContact O-N 3.5Å |
| 107 | I | 90.6 | Very high | 94.4 | Very high | 90 Ų | 90 | 58.5 Ų | 58.5 | 46% | 0.462 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -134.5 | 143.4 | 176.6 | -63.9 | 178.1 | 0 | 0 | 0 | 108.8 | A101 V102 | A101-I107 HydrophobicContact CB-CB 4.33Å; A101-I107 HydrophobicContact CB-CD1 3.59Å; A101-I107 HydrophobicContact CB-CG1 3.84Å; A101-I107 PolarHBondContact O-N 2.99Å; A101-I107 VanDerWaalsContact O-N 3.15Å; V102-I107 HydrophobicContact CG2-CB 4.12Å; V102-I107 HydrophobicContact CG2-CG2 4.07Å |
| 108 | A | 94.1 | Very high | 94.5 | Very high | 87 Ų | 87 | 55.2 Ų | 55.2 | 72% | 0.719 | 30% | 0.299 | S | S | * | . | trans | -61.8 | 141.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D110 | A108-D110 PolarHBondContact O-N 2.87Š| ||
| 109 | F | 96 | Very high | 94.7 | Very high | 54 Ų | 54 | 55.9 Ų | 55.9 | 24% | 0.237 | 30% | 0.297 | C | S | . | . | trans | -70.9 | 118.6 | 177.7 | 173.2 | -102.4 | 0 | 0 | 0 | 112.1 | V102 L114 L154 K155 F158 | V102-F109 HydrophobicContact CG1-CB 4.12Å; V102-F109 HydrophobicContact CG1-CD2 3.9Å; F109-L114 HydrophobicContact CD2-CD1 3.92Å; F109-L114 HydrophobicContact CE2-CD1 3.77Å; F109-L154 HydrophobicContact CE2-CB 4.32Å; F109-L154 HydrophobicContact CZ-CB 4.18Å; F109-K155 HydrophobicContact CE1-CG 3.8Å; F109-K155 HydrophobicContact CZ-CB 4.5Å; F109-K155 HydrophobicContact CZ-CG 3.95Å; F109-F158 HydrophobicContact CB-CD1 3.69Å; F109-F158 HydrophobicContact CB-CD2 3.75Å; F109-F158 HydrophobicContact CB-CE1 3.55Å; F109-F158 HydrophobicContact CB-CE2 3.62Å; F109-F158 HydrophobicContact CB-CG 3.79Å; F109-F158 HydrophobicContact CB-CZ 3.52Å; F109-F158 HydrophobicContact CD1-CD1 4Å; F109-F158 HydrophobicContact CD1-CE1 4.47Å; F109-F158 HydrophobicContact CD1-CG 4.3Å; F109-F158 HydrophobicContact CD2-CB 3.54Å; F109-F158 AromaticContact CD2-CD1 3.99Å; F109-F158 HydrophobicContact CD2-CD1 3.99Å; F109-F158 AromaticContact CD2-CD2 3.71Å; F109-F158 HydrophobicContact CD2-CD2 3.71Å; F109-F158 HydrophobicContact CD2-CE2 4.45Å; F109-F158 AromaticContact CD2-CG 3.44Å; F109-F158 HydrophobicContact CD2-CG 3.44Å; F109-F158 VanDerWaalsContact CD2-CG 3.44Å; F109-F158 HydrophobicContact CE2-CB 3.61Å; F109-F158 HydrophobicContact CE2-CG 4.05Å; F109-F158 HydrophobicContact CG-CB 4.08Å; F109-F158 AromaticContact CG-CD1 3.63Å; F109-F158 HydrophobicContact CG-CD1 3.63Å; F109-F158 AromaticContact CG-CD2 3.94Å; F109-F158 HydrophobicContact CG-CD2 3.94Å; F109-F158 HydrophobicContact CG-CE1 4.03Å; F109-F158 HydrophobicContact CG-CE2 4.32Å; F109-F158 AromaticContact CG-CG 3.58Å; F109-F158 HydrophobicContact CG-CG 3.58Å; F109-F158 HydrophobicContact CG-CZ 4.36Å; F109-F158 HydrophobicContact CZ-CB 4.21Å | ||
| 110 | D | 95.3 | Very high | 94.8 | Very high | 70 Ų | 70 | 58.9 Ų | 58.9 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | trans | -122.3 | 101.2 | 167.3 | 177.3 | 10.5 | 0 | 0 | 0 | 110.9 | A108 R112 S113 L114 | A108-D110 PolarHBondContact O-N 2.87Å; D110-R112 PolarHBondContact O-N 3.37Å; D110-R112 WeakPolarHBondContact OD1-CB 3.27Å; D110-R112 PolarHBondContact OD1-N 3.15Å; D110-S113 PolarHBondContact O-N 2.92Å; D110-S113 PolarHBondContact OD1-N 3.4Å; D110-S113 WeakPolarHBondContact OD2-CB 3.48Å; D110-S113 PolarHBondContact OD2-N 3.22Å; D110-S113 PolarHBondContact OD2-OG 3.25Å; D110-L114 WeakPolarHBondContact O-CG 3.31Å; D110-L114 PolarHBondContact O-N 3.05Å; D110-L114 VanDerWaalsContact O-N 3.09Å | ||
| 111 | S | 94.9 | Very high | 94.9 | Very high | 17 Ų | 17 | 59.8 Ų | 59.8 | 12% | 0.119 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.4 | -31.8 | 177 | 57.9 | 0 | 0 | 0 | 0 | 113.9 | A115 | S111-A115 VanDerWaalsContact O-CB 3.26Å; S111-A115 WeakPolarHBondContact O-CB 3.26Å; S111-A115 PolarHBondContact O-N 2.84Å |
| 112 | R | 96.1 | Very high | 95.1 | Very high | 185 Ų | 185 | 59.7 Ų | 59.7 | 70% | 0.698 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -74.7 | -43.9 | -176.3 | -175.9 | -179.7 | -114.2 | 176 | -2.5 | 110.5 | D110 R116 | D110-R112 PolarHBondContact O-N 3.37Å; D110-R112 WeakPolarHBondContact OD1-CB 3.27Å; D110-R112 PolarHBondContact OD1-N 3.15Å; R112-R116 WeakPolarHBondContact O-CB 3.38Å; R112-R116 PolarHBondContact O-N 2.85Å |
| 113 | S | 95.3 | Very high | 95.2 | Very high | 63 Ų | 63 | 63.9 Ų | 63.9 | 44% | 0.441 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 175.6 | -68.8 | 0 | 0 | 0 | 0 | 111.9 | D110 R116 G117 | D110-S113 PolarHBondContact O-N 2.92Å; D110-S113 PolarHBondContact OD1-N 3.4Å; D110-S113 WeakPolarHBondContact OD2-CB 3.48Å; D110-S113 PolarHBondContact OD2-N 3.22Å; D110-S113 PolarHBondContact OD2-OG 3.25Å; S113-R116 PolarHBondContact O-N 3.5Å; S113-G117 PolarHBondContact O-N 3.47Å |
| 114 | L | 96.8 | Very high | 95.3 | Very high | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.073 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.2 | -48.2 | 176.2 | -68.8 | 178.1 | 0 | 0 | 0 | 112.4 | F95 T98 I99 V102 F109 D110 R116 G117 I118 L154 | F95-L114 HydrophobicContact CE2-CD2 4.07Å; F95-L114 HydrophobicContact CZ-CD2 4.44Å; T98-L114 HydrophobicContact CG2-CD2 4.31Å; I99-L114 HydrophobicContact CG1-CD2 4.07Å; V102-L114 HydrophobicContact CG1-CD1 4.28Å; F109-L114 HydrophobicContact CD2-CD1 3.92Å; F109-L114 HydrophobicContact CE2-CD1 3.77Å; D110-L114 WeakPolarHBondContact O-CG 3.31Å; D110-L114 PolarHBondContact O-N 3.05Å; D110-L114 VanDerWaalsContact O-N 3.09Å; L114-R116 VanDerWaalsContact C-N 3.31Å; L114-R116 PolarHBondContact O-N 2.86Å; L114-G117 PolarHBondContact O-N 3.31Å; L114-G117 VanDerWaalsContact O-N 3.13Å; L114-I118 WeakPolarHBondContact O-CG1 3.44Å; L114-I118 PolarHBondContact O-N 3.41Å; L114-L154 HydrophobicContact CB-CD1 4.06Å; L114-L154 HydrophobicContact CB-CD2 4.41Å |
| 115 | A | 97.5 | Very high | 95.4 | Very high | 16 Ų | 16 | 63.5 Ų | 63.5 | 13% | 0.132 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59 | -43.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S111 G117 I118 H119 A149 L154 | S111-A115 VanDerWaalsContact O-CB 3.26Å; S111-A115 WeakPolarHBondContact O-CB 3.26Å; S111-A115 PolarHBondContact O-N 2.84Å; A115-G117 VanDerWaalsContact C-N 3.32Å; A115-G117 PolarHBondContact O-N 3.1Å; A115-I118 PolarHBondContact O-N 2.82Å; A115-H119 PolarHBondContact O-CD2 3.47Å; A115-H119 PolarHBondContact O-N 3.29Å; A115-A149 HydrophobicContact CB-CB 4.2Å; A115-A149 VanDerWaalsContact CB-O 3.31Å; A115-A149 WeakPolarHBondContact CB-O 3.35Å; A115-L154 HydrophobicContact CB-CD1 3.86Å |
| 116 | R | 97.1 | Very high | 95.8 | Very high | 161 Ų | 161 | 60.5 Ų | 60.5 | 61% | 0.608 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.8 | -41.6 | 175.3 | -172.5 | -173.6 | -62.6 | 164 | -1 | 111.8 | R112 S113 L114 K120 | R112-R116 WeakPolarHBondContact O-CB 3.38Å; R112-R116 PolarHBondContact O-N 2.85Å; S113-R116 PolarHBondContact O-N 3.5Å; L114-R116 VanDerWaalsContact C-N 3.31Å; L114-R116 PolarHBondContact O-N 2.86Å; R116-K120 VanDerWaalsContact O-CB 3.28Å; R116-K120 WeakPolarHBondContact O-CB 3.4Å; R116-K120 PolarHBondContact O-N 3.01Å |
| 117 | G | 97.1 | Very high | 96.1 | Very high | 15 Ų | 15 | 61 Ų | 61 | 16% | 0.155 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S113 L114 A115 K120 L121 | S113-G117 PolarHBondContact O-N 3.47Å; L114-G117 PolarHBondContact O-N 3.31Å; L114-G117 VanDerWaalsContact O-N 3.13Å; A115-G117 VanDerWaalsContact C-N 3.32Å; A115-G117 PolarHBondContact O-N 3.1Å; G117-K120 PolarHBondContact O-N 3.46Å; G117-L121 WeakPolarHBondContact O-CG 3.24Å; G117-L121 PolarHBondContact O-N 3.31Å; G117-L121 VanDerWaalsContact O-N 3.08Å |
| 118 | I | 97.5 | Very high | 96.3 | Very high | 23 Ų | 23 | 57.1 Ų | 57.1 | 12% | 0.118 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.1 | -53.8 | 176.1 | -64 | 171.5 | 0 | 0 | 0 | 110.3 | F95 L114 A115 K120 L121 T122 G145 L148 A149 L154 | F95-I118 HydrophobicContact CE1-CG1 3.75Å; F95-I118 HydrophobicContact CZ-CD1 4.46Å; F95-I118 HydrophobicContact CZ-CG1 3.58Å; L114-I118 WeakPolarHBondContact O-CG1 3.44Å; L114-I118 PolarHBondContact O-N 3.41Å; A115-I118 PolarHBondContact O-N 2.82Å; I118-K120 VanDerWaalsContact C-N 3.29Å; I118-K120 PolarHBondContact O-N 2.87Å; I118-L121 PolarHBondContact O-N 3.47Å; I118-T122 WeakPolarHBondContact O-CB 3.37Å; I118-T122 PolarHBondContact O-N 2.96Å; I118-T122 PolarHBondContact O-OG1 2.9Å; I118-G145 VanDerWaalsContact CG2-O 3.3Å; I118-G145 WeakPolarHBondContact CG2-O 3.41Å; I118-L148 HydrophobicContact CD1-CB 4.31Å; I118-L148 VanDerWaalsContact CD1-O 3.29Å; I118-L148 WeakPolarHBondContact CD1-O 3.25Å; I118-L148 HydrophobicContact CG2-CB 4.31Å; I118-A149 HydrophobicContact CB-CB 4.05Å; I118-A149 HydrophobicContact CD1-CB 4.45Å; I118-A149 HydrophobicContact CG2-CB 3.95Å; I118-L154 HydrophobicContact CD1-CD2 3.92Å |
| 119 | H | 97.7 | Very high | 96.3 | Very high | 73 Ų | 73 | 53 Ų | 53 | 34% | 0.338 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.1 | -40.4 | 179.4 | -73.8 | -58 | 0 | 0 | 0 | 112.7 | A115 T122 N123 A149 | A115-H119 PolarHBondContact O-CD2 3.47Å; A115-H119 PolarHBondContact O-N 3.29Å; H119-T122 PolarHBondContact O-N 3.36Å; H119-N123 VanDerWaalsContact O-CB 3.28Å; H119-N123 WeakPolarHBondContact O-CB 3.4Å; H119-N123 PolarHBondContact O-N 2.93Å; H119-N123 PolarHBondContact O-ND2 2.92Å; H119-N123 PolarHBondContact O-OD1 3.19Å; H119-A149 VanDerWaalsContact NE2-CB 3.31Å; H119-A149 WeakPolarHBondContact NE2-CB 3.35Å |
| 120 | K | 97.1 | Very high | 96.2 | Very high | 107 Ų | 107 | 51.6 Ų | 51.6 | 47% | 0.465 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.9 | -50.3 | 177.3 | -174.8 | -178.5 | -178.6 | -167.2 | 0 | 111.5 | E91 R116 G117 I118 N123 Q124 | E91-K120 VanDerWaalsContact CD-CE 3.5Å; E91-K120 WeakPolarHBondContact OE1-CE 3.35Å; E91-K120 IonicContact OE1-NZ 2.61Å; E91-K120 PolarHBondContact OE1-NZ 2.99Å; E91-K120 WeakPolarHBondContact OE2-CE 3.47Å; E91-K120 IonicContact OE2-NZ 3.43Å; E91-K120 PolarHBondContact OE2-NZ 2.99Å; R116-K120 VanDerWaalsContact O-CB 3.28Å; R116-K120 WeakPolarHBondContact O-CB 3.4Å; R116-K120 PolarHBondContact O-N 3.01Å; G117-K120 PolarHBondContact O-N 3.46Å; I118-K120 VanDerWaalsContact C-N 3.29Å; I118-K120 PolarHBondContact O-N 2.87Å; K120-N123 PolarHBondContact O-N 3.36Å; K120-Q124 WeakPolarHBondContact O-CG 3.18Å; K120-Q124 PolarHBondContact O-N 2.94Å |
| 121 | L | 97.5 | Very high | 96 | Very high | 19 Ų | 19 | 55 Ų | 55 | 10% | 0.099 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 179.2 | -65.9 | 176.4 | 0 | 0 | 0 | 111.7 | L88 E91 F95 G117 I118 N123 Q124 I125 | L88-L121 HydrophobicContact CD1-CD2 3.87Å; E91-L121 HydrophobicContact CB-CD2 3.86Å; F95-L121 HydrophobicContact CB-CD1 3.8Å; F95-L121 HydrophobicContact CD1-CD1 3.34Å; F95-L121 HydrophobicContact CE1-CD1 4.14Å; F95-L121 HydrophobicContact CG-CD1 3.77Å; G117-L121 WeakPolarHBondContact O-CG 3.24Å; G117-L121 PolarHBondContact O-N 3.31Å; G117-L121 VanDerWaalsContact O-N 3.08Å; I118-L121 PolarHBondContact O-N 3.47Å; L121-N123 PolarHBondContact O-N 3.45Å; L121-Q124 PolarHBondContact O-N 3.32Å; L121-I125 VanDerWaalsContact O-CG1 3.3Å; L121-I125 WeakPolarHBondContact O-CG1 3.45Å; L121-I125 PolarHBondContact O-N 3.04Å |
| 122 | T | 97.3 | Very high | 95.9 | Very high | 14 Ų | 14 | 56.7 Ų | 56.7 | 9% | 0.086 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 175.6 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | I118 H119 Q124 I125 A126 I141 I142 G145 | I118-T122 WeakPolarHBondContact O-CB 3.37Å; I118-T122 PolarHBondContact O-N 2.96Å; I118-T122 PolarHBondContact O-OG1 2.9Å; H119-T122 PolarHBondContact O-N 3.36Å; T122-Q124 VanDerWaalsContact C-N 3.34Å; T122-Q124 PolarHBondContact O-N 3.48Å; T122-I125 PolarHBondContact O-N 3.49Å; T122-A126 VanDerWaalsContact O-CB 3.31Å; T122-A126 WeakPolarHBondContact O-CB 3.42Å; T122-A126 PolarHBondContact O-N 2.85Å; T122-I141 HydrophobicContact CG2-CG2 4.01Å; T122-I142 HydrophobicContact CG2-CG1 4.48Å; T122-G145 WeakPolarHBondContact OG1-CA 3.47Å |
| 123 | N | 96.5 | Very high | 95.8 | Very high | 92 Ų | 92 | 49 Ų | 49 | 49% | 0.492 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 179.2 | -71.8 | -11 | 0 | 0 | 0 | 111.9 | H119 K120 L121 A126 C127 | H119-N123 VanDerWaalsContact O-CB 3.28Å; H119-N123 WeakPolarHBondContact O-CB 3.4Å; H119-N123 PolarHBondContact O-N 2.93Å; H119-N123 PolarHBondContact O-ND2 2.92Å; H119-N123 PolarHBondContact O-OD1 3.19Å; K120-N123 PolarHBondContact O-N 3.36Å; L121-N123 PolarHBondContact O-N 3.45Å; N123-A126 PolarHBondContact O-N 3.45Å; N123-C127 WeakPolarHBondContact O-CB 3.5Å; N123-C127 PolarHBondContact O-N 3.46Å |
| 124 | Q | 96.2 | Very high | 95.8 | Very high | 41 Ų | 41 | 49.2 Ų | 49.2 | 19% | 0.192 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64 | -45.6 | 174 | -75.8 | 175.7 | -20.1 | 0 | 0 | 112 | L88 E91 K120 L121 T122 A126 C127 I128 | L88-Q124 HydrophobicContact CD1-CB 4.03Å; E91-Q124 VanDerWaalsContact OE2-CD 3.25Å; E91-Q124 PolarHBondContact OE2-NE2 3.37Å; E91-Q124 PolarHBondContact OE2-OE1 3.15Å; E91-Q124 VanDerWaalsContact OE2-OE1 3.07Å; K120-Q124 WeakPolarHBondContact O-CG 3.18Å; K120-Q124 PolarHBondContact O-N 2.94Å; L121-Q124 PolarHBondContact O-N 3.32Å; T122-Q124 VanDerWaalsContact C-N 3.34Å; T122-Q124 PolarHBondContact O-N 3.48Å; Q124-A126 PolarHBondContact O-N 2.94Å; Q124-C127 PolarHBondContact O-N 3.36Å; Q124-I128 WeakPolarHBondContact O-CD1 3.46Å; Q124-I128 VanDerWaalsContact O-CG1 3.27Å; Q124-I128 WeakPolarHBondContact O-CG1 3.41Å; Q124-I128 PolarHBondContact O-N 2.87Å |
| 125 | I | 96.4 | Very high | 95.7 | Very high | 34 Ų | 34 | 54.6 Ų | 54.6 | 17% | 0.174 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.9 | -48.7 | 175.9 | -71.8 | 165 | 0 | 0 | 0 | 110.5 | V64 F68 L88 L121 T122 C127 I128 L129 I141 | V64-I125 HydrophobicContact CG1-CG2 3.78Å; F68-I125 HydrophobicContact CE2-CG1 4.25Å; F68-I125 HydrophobicContact CE2-CG2 3.89Å; F68-I125 HydrophobicContact CZ-CG1 4.4Å; F68-I125 HydrophobicContact CZ-CG2 4.29Å; L88-I125 HydrophobicContact CD1-CG1 4.08Å; L88-I125 HydrophobicContact CD2-CG1 3.69Å; L121-I125 VanDerWaalsContact O-CG1 3.3Å; L121-I125 WeakPolarHBondContact O-CG1 3.45Å; L121-I125 PolarHBondContact O-N 3.04Å; T122-I125 PolarHBondContact O-N 3.49Å; I125-C127 VanDerWaalsContact C-N 3.35Å; I125-C127 PolarHBondContact O-N 3.4Å; I125-I128 PolarHBondContact O-N 3.22Å; I125-L129 HydrophobicContact CG2-CD1 3.93Å; I125-L129 WeakPolarHBondContact O-CB 3.31Å; I125-L129 WeakPolarHBondContact O-CG 3.5Å; I125-L129 PolarHBondContact O-N 3.08Å; I125-I141 HydrophobicContact CG2-CD1 4.27Å; I125-I141 HydrophobicContact CG2-CG2 3.99Å |
| 126 | A | 95.7 | Very high | 95.6 | Very high | 8 Ų | 8 | 61.3 Ų | 61.3 | 7% | 0.066 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T122 N123 Q124 G130 V138 I142 | T122-A126 VanDerWaalsContact O-CB 3.31Å; T122-A126 WeakPolarHBondContact O-CB 3.42Å; T122-A126 PolarHBondContact O-N 2.85Å; N123-A126 PolarHBondContact O-N 3.45Å; Q124-A126 PolarHBondContact O-N 2.94Å; A126-G130 WeakPolarHBondContact O-CA 3.29Å; A126-G130 PolarHBondContact O-N 3.18Å; A126-V138 HydrophobicContact CB-CG1 3.82Å; A126-I142 HydrophobicContact CB-CD1 4.32Å; A126-I142 HydrophobicContact CB-CG1 4.13Å |
| 127 | C | 95.1 | Very high | 95.4 | Very high | 98 Ų | 98 | 54.6 Ų | 54.6 | 66% | 0.662 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.3 | -47.3 | 177.7 | -176 | 0 | 0 | 0 | 0 | 112 | N123 Q124 I125 | N123-C127 WeakPolarHBondContact O-CB 3.5Å; N123-C127 PolarHBondContact O-N 3.46Å; Q124-C127 PolarHBondContact O-N 3.36Å; I125-C127 VanDerWaalsContact C-N 3.35Å; I125-C127 PolarHBondContact O-N 3.4Å |
| 128 | I | 95.3 | Very high | 95.3 | Very high | 9 Ų | 9 | 54.8 Ų | 54.8 | 5% | 0.046 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.3 | -46.8 | 179.5 | -64.5 | 161.1 | 0 | 0 | 0 | 110.7 | F68 F77 A84 I85 L88 Q124 I125 H132 | F68-I128 HydrophobicContact CE1-CB 4.32Å; F68-I128 HydrophobicContact CE1-CG2 3.7Å; F68-I128 HydrophobicContact CZ-CB 4.39Å; F68-I128 HydrophobicContact CZ-CG2 4.25Å; F77-I128 HydrophobicContact CD1-CG2 4.39Å; F77-I128 HydrophobicContact CE1-CG2 3.9Å; A84-I128 HydrophobicContact CB-CD1 3.94Å; A84-I128 HydrophobicContact CB-CG1 3.85Å; I85-I128 HydrophobicContact CD1-CG2 4.19Å; I85-I128 HydrophobicContact CG1-CD1 4.11Å; I85-I128 HydrophobicContact CG1-CG2 3.91Å; L88-I128 HydrophobicContact CB-CD1 4.29Å; L88-I128 HydrophobicContact CD2-CD1 3.95Å; Q124-I128 WeakPolarHBondContact O-CD1 3.46Å; Q124-I128 VanDerWaalsContact O-CG1 3.27Å; Q124-I128 WeakPolarHBondContact O-CG1 3.41Å; Q124-I128 PolarHBondContact O-N 2.87Å; I125-I128 PolarHBondContact O-N 3.22Å; I128-H132 PolarHBondContact O-CD2 3.37Å |
| 129 | L | 94.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -76.7 | -23.2 | -177.2 | -68.8 | -178.6 | 0 | 0 | 0 | 113.1 | V64 K67 F68 L71 I125 Q131 H132 V133 F137 I141 | V64-L129 HydrophobicContact CG1-CD1 4.19Å; K67-L129 HydrophobicContact CB-CD2 4.42Å; F68-L129 HydrophobicContact CD1-CD2 4.2Å; F68-L129 HydrophobicContact CD2-CD1 4.18Å; F68-L129 HydrophobicContact CD2-CD2 4.25Å; F68-L129 HydrophobicContact CD2-CG 4.45Å; F68-L129 HydrophobicContact CE1-CD2 4.06Å; F68-L129 HydrophobicContact CE1-CG 4.34Å; F68-L129 HydrophobicContact CE2-CD1 3.77Å; F68-L129 HydrophobicContact CE2-CD2 4.14Å; F68-L129 HydrophobicContact CE2-CG 3.91Å; F68-L129 HydrophobicContact CG-CD2 4.28Å; F68-L129 HydrophobicContact CZ-CD1 4.22Å; F68-L129 HydrophobicContact CZ-CD2 4.03Å; F68-L129 HydrophobicContact CZ-CG 3.83Å; L71-L129 HydrophobicContact CD1-CD2 3.78Å; I125-L129 HydrophobicContact CG2-CD1 3.93Å; I125-L129 WeakPolarHBondContact O-CB 3.31Å; I125-L129 WeakPolarHBondContact O-CG 3.5Å; I125-L129 PolarHBondContact O-N 3.08Å; L129-Q131 PolarHBondContact O-N 3.05Å; L129-H132 WeakPolarHBondContact O-CA 3.09Å; L129-H132 PolarHBondContact O-N 3.3Å; L129-V133 HydrophobicContact CB-CG1 4.47Å; L129-V133 HydrophobicContact CB-CG2 4.08Å; L129-V133 VanDerWaalsContact O-CG2 3.29Å; L129-V133 WeakPolarHBondContact O-CG2 3.23Å; L129-V133 PolarHBondContact O-N 3.49Å; L129-V133 VanDerWaalsContact O-N 3.1Å; L129-F137 HydrophobicContact CD1-CE1 4.28Å; L129-I141 HydrophobicContact CD1-CD1 3.92Å |
| 130 | G | 94.2 | Very high | 95 | Very high | 25 Ų | 25 | 55.7 Ų | 55.7 | 26% | 0.258 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -15.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A126 | A126-G130 WeakPolarHBondContact O-CA 3.29Å; A126-G130 PolarHBondContact O-N 3.18Å |
| 131 | Q | 91 | Very high | 94.9 | Very high | 140 Ų | 140 | 51 Ų | 51 | 65% | 0.654 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -6.9 | 172.6 | -59.7 | -59.3 | -49.8 | 0 | 0 | 113.8 | L129 | L129-Q131 PolarHBondContact O-N 3.05Š|
| 132 | H | 93.1 | Very high | 94.9 | Very high | 53 Ų | 53 | 52.9 Ų | 52.9 | 25% | 0.245 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | -9.6 | -168.2 | -59.9 | -83.9 | 0 | 0 | 0 | 114.3 | L71 S76 F77 E81 I128 L129 | L71-H132 HydrophobicContact CD1-CB 3.48Å; L71-H132 VanDerWaalsContact CD1-CB 3.48Å; L71-H132 HydrophobicContact CD2-CB 3.84Å; L71-H132 HydrophobicContact CG-CB 4.32Å; S76-H132 PolarHBondContact O-CE1 2.9Å; F77-H132 AromaticContact CD1-NE2 3.74Å; E81-H132 IonicContact OE1-CD2 3.89Å; E81-H132 IonicContact OE1-CE1 3.48Å; E81-H132 IonicContact OE1-NE2 3.36Å; E81-H132 PolarHBondContact OE1-NE2 3.3Å; E81-H132 IonicContact OE2-CE1 3.42Å; E81-H132 PolarHBondContact OE2-CE1 2.98Å; E81-H132 IonicContact OE2-NE2 3.74Å; E81-H132 PolarHBondContact OE2-NE2 3.48Å; I128-H132 PolarHBondContact O-CD2 3.37Å; L129-H132 WeakPolarHBondContact O-CA 3.09Å; L129-H132 PolarHBondContact O-N 3.3Å |
| 133 | V | 92.6 | Very high | 94.8 | Very high | 25 Ų | 25 | 58.4 Ų | 58.4 | 15% | 0.152 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -135.3 | 165 | -175.8 | -53.7 | 0 | 0 | 0 | 0 | 110.5 | K67 L129 F137 V138 | K67-V133 HydrophobicContact CD-CG1 4.28Å; K67-V133 HydrophobicContact CG-CG1 4.35Å; L129-V133 HydrophobicContact CB-CG1 4.47Å; L129-V133 HydrophobicContact CB-CG2 4.08Å; L129-V133 VanDerWaalsContact O-CG2 3.29Å; L129-V133 WeakPolarHBondContact O-CG2 3.23Å; L129-V133 PolarHBondContact O-N 3.49Å; L129-V133 VanDerWaalsContact O-N 3.1Å; V133-F137 HydrophobicContact CB-CB 4.16Å; V133-F137 HydrophobicContact CB-CD1 3.94Å; V133-F137 HydrophobicContact CB-CG 4.22Å; V133-F137 HydrophobicContact CG1-CD1 4.18Å; V133-F137 HydrophobicContact CG1-CE1 4.47Å; V133-F137 HydrophobicContact CG2-CB 3.99Å; V133-F137 HydrophobicContact CG2-CD1 3.58Å; V133-F137 HydrophobicContact CG2-CE1 4.48Å; V133-F137 HydrophobicContact CG2-CG 4.13Å; V133-V138 HydrophobicContact CG2-CG2 3.72Å |
| 134 | S | 95 | Very high | 94.8 | Very high | 67 Ų | 67 | 54.8 Ų | 54.8 | 47% | 0.469 | 30% | 0.295 | S | S | . | . | trans | -65.7 | 152.5 | 177.6 | 62.9 | 0 | 0 | 0 | 0 | 112.1 | E136 F137 V138 | S134-E136 PolarHBondContact O-N 2.73Å; S134-F137 WeakPolarHBondContact O-CA 3.38Å; S134-F137 WeakPolarHBondContact O-CB 3.31Å; S134-F137 PolarHBondContact O-N 3.3Å; S134-F137 PolarHBondContact OG-N 3.37Å; S134-V138 PolarHBondContact O-N 3.19Å; S134-V138 VanDerWaalsContact O-N 3.09Å | ||
| 135 | N | 95.1 | Very high | 94.9 | Very high | 126 Ų | 126 | 53 Ų | 53 | 67% | 0.674 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -56.5 | -38.1 | 174.5 | -72.2 | -18.3 | 0 | 0 | 0 | 112.1 | F137 V138 L139 | N135-F137 VanDerWaalsContact C-N 3.28Å; N135-F137 PolarHBondContact O-N 2.95Å; N135-V138 WeakPolarHBondContact O-CB 3.42Å; N135-V138 PolarHBondContact O-N 2.96Å; N135-V138 VanDerWaalsContact O-N 3.1Å; N135-L139 WeakPolarHBondContact O-CG 3.31Å; N135-L139 PolarHBondContact O-N 2.91Å |
| 136 | E | 95.4 | Very high | 94.9 | Very high | 157 Ų | 157 | 53.7 Ų | 53.7 | 73% | 0.734 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57.8 | -41.3 | 173.7 | -64.3 | 175 | 172.9 | 0 | 0 | 112.1 | S134 V138 L139 S140 | S134-E136 PolarHBondContact O-N 2.73Å; E136-V138 VanDerWaalsContact C-N 3.35Å; E136-L139 PolarHBondContact O-N 3.05Å; E136-S140 WeakPolarHBondContact O-CB 3.32Å; E136-S140 PolarHBondContact O-N 3.4Å; E136-S140 PolarHBondContact O-OG 3.39Å |
| 137 | F | 93 | Very high | 94.9 | Very high | 20 Ų | 20 | 55 Ų | 55 | 9% | 0.088 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 175.9 | -168.9 | -86.5 | 0 | 0 | 0 | 111.1 | K63 V64 K67 L129 V133 S134 N135 S140 I141 | K63-F137 HydrophobicContact CB-CE2 3.98Å; K63-F137 HydrophobicContact CB-CZ 4Å; V64-F137 HydrophobicContact CG2-CE1 4.28Å; V64-F137 HydrophobicContact CG2-CZ 4.33Å; K67-F137 HydrophobicContact CG-CE1 4.11Å; K67-F137 HydrophobicContact CG-CE2 4.42Å; K67-F137 HydrophobicContact CG-CZ 3.79Å; L129-F137 HydrophobicContact CD1-CE1 4.28Å; V133-F137 HydrophobicContact CB-CB 4.16Å; V133-F137 HydrophobicContact CB-CD1 3.94Å; V133-F137 HydrophobicContact CB-CG 4.22Å; V133-F137 HydrophobicContact CG1-CD1 4.18Å; V133-F137 HydrophobicContact CG1-CE1 4.47Å; V133-F137 HydrophobicContact CG2-CB 3.99Å; V133-F137 HydrophobicContact CG2-CD1 3.58Å; V133-F137 HydrophobicContact CG2-CE1 4.48Å; V133-F137 HydrophobicContact CG2-CG 4.13Å; S134-F137 WeakPolarHBondContact O-CA 3.38Å; S134-F137 WeakPolarHBondContact O-CB 3.31Å; S134-F137 PolarHBondContact O-N 3.3Å; S134-F137 PolarHBondContact OG-N 3.37Å; N135-F137 VanDerWaalsContact C-N 3.28Å; N135-F137 PolarHBondContact O-N 2.95Å; F137-S140 PolarHBondContact O-N 3.06Å; F137-S140 PolarHBondContact O-OG 2.99Å; F137-I141 HydrophobicContact CD1-CD1 3.66Å; F137-I141 HydrophobicContact CD1-CG1 4.29Å; F137-I141 HydrophobicContact CE1-CD1 3.6Å; F137-I141 HydrophobicContact CE1-CG1 4.18Å; F137-I141 WeakPolarHBondContact O-CG1 3.3Å; F137-I141 PolarHBondContact O-N 3.16Å |
| 138 | V | 94.9 | Very high | 95 | Very high | 20 Ų | 20 | 51.3 Ų | 51.3 | 12% | 0.121 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 175.3 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | A126 V133 S134 N135 E136 S140 I141 I142 | A126-V138 HydrophobicContact CB-CG1 3.82Å; V133-V138 HydrophobicContact CG2-CG2 3.72Å; S134-V138 PolarHBondContact O-N 3.19Å; S134-V138 VanDerWaalsContact O-N 3.09Å; N135-V138 WeakPolarHBondContact O-CB 3.42Å; N135-V138 PolarHBondContact O-N 2.96Å; N135-V138 VanDerWaalsContact O-N 3.1Å; E136-V138 VanDerWaalsContact C-N 3.35Å; V138-S140 VanDerWaalsContact C-N 3.31Å; V138-S140 PolarHBondContact O-N 3.45Å; V138-I141 WeakPolarHBondContact O-CB 3.42Å; V138-I141 PolarHBondContact O-N 3.19Å; V138-I141 VanDerWaalsContact O-N 3.07Å; V138-I142 HydrophobicContact CG1-CD1 4.1Å; V138-I142 PolarHBondContact O-N 3.32Å; V138-I142 VanDerWaalsContact O-N 3.16Å |
| 139 | L | 95.6 | Very high | 95.1 | Very high | 102 Ų | 102 | 51.2 Ų | 51.2 | 53% | 0.534 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 178.3 | -70.6 | 174.2 | 0 | 0 | 0 | 111.3 | N135 E136 I141 I142 E143 | N135-L139 WeakPolarHBondContact O-CG 3.31Å; N135-L139 PolarHBondContact O-N 2.91Å; E136-L139 PolarHBondContact O-N 3.05Å; L139-I141 VanDerWaalsContact C-N 3.26Å; L139-I141 PolarHBondContact O-N 2.9Å; L139-I142 WeakPolarHBondContact O-CA 3.46Å; L139-I142 WeakPolarHBondContact O-CB 3.22Å; L139-I142 PolarHBondContact O-N 3.38Å; L139-E143 WeakPolarHBondContact O-CG 3.42Å; L139-E143 PolarHBondContact O-N 3.33Å |
| 140 | S | 93.9 | Very high | 95.2 | Very high | 12 Ų | 12 | 53.7 Ų | 53.7 | 8% | 0.084 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.5 | -27.3 | 177.5 | 70.1 | 0 | 0 | 0 | 0 | 114.2 | R60 E136 F137 V138 V144 | R60-S140 VanDerWaalsContact CD-OG 3.27Å; R60-S140 WeakPolarHBondContact CD-OG 3.47Å; R60-S140 VanDerWaalsContact CZ-CB 3.46Å; R60-S140 PolarHBondContact NE-OG 3.32Å; R60-S140 VanDerWaalsContact NE-OG 3.08Å; R60-S140 PolarHBondContact NH1-OG 3.4Å; E136-S140 WeakPolarHBondContact O-CB 3.32Å; E136-S140 PolarHBondContact O-N 3.4Å; E136-S140 PolarHBondContact O-OG 3.39Å; F137-S140 PolarHBondContact O-N 3.06Å; F137-S140 PolarHBondContact O-OG 2.99Å; V138-S140 VanDerWaalsContact C-N 3.31Å; V138-S140 PolarHBondContact O-N 3.45Å; S140-V144 WeakPolarHBondContact O-CG2 3.28Å; S140-V144 PolarHBondContact O-N 3.19Å |
| 141 | I | 95.2 | Very high | 95.3 | Very high | 10 Ų | 10 | 60.2 Ų | 60.2 | 5% | 0.051 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.5 | -44.2 | 172.1 | -66.6 | 161.9 | 0 | 0 | 0 | 110.1 | V64 T122 I125 L129 F137 V138 L139 E143 V144 G145 | V64-I141 HydrophobicContact CG2-CD1 3.86Å; V64-I141 HydrophobicContact CG2-CG1 3.57Å; T122-I141 HydrophobicContact CG2-CG2 4.01Å; I125-I141 HydrophobicContact CG2-CD1 4.27Å; I125-I141 HydrophobicContact CG2-CG2 3.99Å; L129-I141 HydrophobicContact CD1-CD1 3.92Å; F137-I141 HydrophobicContact CD1-CD1 3.66Å; F137-I141 HydrophobicContact CD1-CG1 4.29Å; F137-I141 HydrophobicContact CE1-CD1 3.6Å; F137-I141 HydrophobicContact CE1-CG1 4.18Å; F137-I141 WeakPolarHBondContact O-CG1 3.3Å; F137-I141 PolarHBondContact O-N 3.16Å; V138-I141 WeakPolarHBondContact O-CB 3.42Å; V138-I141 PolarHBondContact O-N 3.19Å; V138-I141 VanDerWaalsContact O-N 3.07Å; L139-I141 VanDerWaalsContact C-N 3.26Å; L139-I141 PolarHBondContact O-N 2.9Å; I141-E143 VanDerWaalsContact C-N 3.33Å; I141-V144 PolarHBondContact O-N 3.01Å; I141-G145 PolarHBondContact O-N 2.9Å |
| 142 | I | 96.6 | Very high | 95.6 | Very high | 58 Ų | 58 | 55 Ų | 55 | 30% | 0.297 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | -179.7 | -65.4 | 169 | 0 | 0 | 0 | 110.7 | T122 A126 V138 L139 G145 S146 | T122-I142 HydrophobicContact CG2-CG1 4.48Å; A126-I142 HydrophobicContact CB-CD1 4.32Å; A126-I142 HydrophobicContact CB-CG1 4.13Å; V138-I142 HydrophobicContact CG1-CD1 4.1Å; V138-I142 PolarHBondContact O-N 3.32Å; V138-I142 VanDerWaalsContact O-N 3.16Å; L139-I142 WeakPolarHBondContact O-CA 3.46Å; L139-I142 WeakPolarHBondContact O-CB 3.22Å; L139-I142 PolarHBondContact O-N 3.38Å; I142-G145 PolarHBondContact O-N 3.4Å; I142-S146 WeakPolarHBondContact O-CB 3.28Å; I142-S146 PolarHBondContact O-N 3.13Å; I142-S146 PolarHBondContact O-OG 3.16Å |
| 143 | E | 96.1 | Very high | 95.8 | Very high | 130 Ų | 130 | 53 Ų | 53 | 61% | 0.607 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.5 | -49.4 | 174.7 | -73.8 | 170.2 | 176.2 | 0 | 0 | 111.6 | L139 I141 G145 S146 L147 | L139-E143 WeakPolarHBondContact O-CG 3.42Å; L139-E143 PolarHBondContact O-N 3.33Å; I141-E143 VanDerWaalsContact C-N 3.33Å; E143-G145 PolarHBondContact O-N 2.81Å; E143-S146 PolarHBondContact O-N 2.62Å; E143-L147 WeakPolarHBondContact O-CB 3.28Å; E143-L147 PolarHBondContact O-N 3.4Å |
| 144 | V | 96.1 | Very high | 96 | Very high | 16 Ų | 16 | 52.6 Ų | 52.6 | 10% | 0.097 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63 | -43.2 | 177.5 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | A57 R60 L61 S140 I141 S146 L147 L148 | A57-V144 HydrophobicContact CB-CG1 4.27Å; A57-V144 HydrophobicContact CB-CG2 4.06Å; R60-V144 HydrophobicContact CB-CG2 3.88Å; R60-V144 HydrophobicContact CG-CG2 3.94Å; L61-V144 HydrophobicContact CD2-CG1 4.14Å; L61-V144 HydrophobicContact CG-CG1 4.2Å; S140-V144 WeakPolarHBondContact O-CG2 3.28Å; S140-V144 PolarHBondContact O-N 3.19Å; I141-V144 PolarHBondContact O-N 3.01Å; V144-S146 VanDerWaalsContact C-N 3.3Å; V144-S146 PolarHBondContact O-N 3.35Å; V144-L147 PolarHBondContact O-N 2.95Å; V144-L148 HydrophobicContact CG1-CD1 4.06Å; V144-L148 VanDerWaalsContact O-CG 3.28Å; V144-L148 WeakPolarHBondContact O-CG 3.39Å; V144-L148 PolarHBondContact O-N 3.48Å; V144-L148 VanDerWaalsContact O-N 3.08Å |
| 145 | G | 97.3 | Very high | 96.1 | Very high | 3 Ų | 3 | 54 Ų | 54 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I118 T122 I141 I142 E143 L148 A149 | I118-G145 VanDerWaalsContact CG2-O 3.3Å; I118-G145 WeakPolarHBondContact CG2-O 3.41Å; T122-G145 WeakPolarHBondContact OG1-CA 3.47Å; I141-G145 PolarHBondContact O-N 2.9Å; I142-G145 PolarHBondContact O-N 3.4Å; E143-G145 PolarHBondContact O-N 2.81Å; G145-L148 PolarHBondContact O-N 3.33Å; G145-A149 VanDerWaalsContact O-CB 3.24Å; G145-A149 WeakPolarHBondContact O-CB 3.5Å; G145-A149 PolarHBondContact O-N 2.68Å |
| 146 | S | 97 | Very high | 96.2 | Very high | 49 Ų | 49 | 50 Ų | 50 | 34% | 0.343 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68 | -41.1 | 178.9 | -59.1 | 0 | 0 | 0 | 0 | 112.3 | I142 E143 V144 L148 A149 T150 | I142-S146 WeakPolarHBondContact O-CB 3.28Å; I142-S146 PolarHBondContact O-N 3.13Å; I142-S146 PolarHBondContact O-OG 3.16Å; E143-S146 PolarHBondContact O-N 2.62Å; V144-S146 VanDerWaalsContact C-N 3.3Å; V144-S146 PolarHBondContact O-N 3.35Å; S146-L148 VanDerWaalsContact C-N 3.35Å; S146-L148 PolarHBondContact O-N 2.76Å; S146-A149 PolarHBondContact O-N 2.71Å; S146-T150 WeakPolarHBondContact O-CG2 3.45Å; S146-T150 PolarHBondContact O-N 2.92Å |
| 147 | L | 96.7 | Very high | 96.3 | Very high | 36 Ų | 36 | 43.2 Ų | 43.2 | 19% | 0.188 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.8 | -47.5 | 174.5 | 179.6 | 63.3 | 0 | 0 | 0 | 111.2 | L44 I49 I53 A57 E143 V144 A149 T150 | L44-L147 HydrophobicContact CD1-CD2 4.1Å; L44-L147 HydrophobicContact CD2-CD1 4.41Å; L44-L147 HydrophobicContact CD2-CD2 3.84Å; L44-L147 HydrophobicContact CD2-CG 3.85Å; I49-L147 HydrophobicContact CD1-CD1 3.85Å; I49-L147 HydrophobicContact CG1-CD1 4.26Å; I53-L147 HydrophobicContact CG2-CD2 4.31Å; A57-L147 HydrophobicContact CB-CD2 4.44Å; E143-L147 WeakPolarHBondContact O-CB 3.28Å; E143-L147 PolarHBondContact O-N 3.4Å; V144-L147 PolarHBondContact O-N 2.95Å; L147-A149 VanDerWaalsContact C-N 3.31Å; L147-A149 PolarHBondContact O-N 2.82Å; L147-T150 WeakPolarHBondContact O-CG2 3.34Å; L147-T150 PolarHBondContact O-N 2.88Å; L147-T150 PolarHBondContact O-OG1 3.32Å |
| 148 | L | 97 | Very high | 96.4 | Very high | 20 Ų | 20 | 44 Ų | 44 | 11% | 0.105 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.2 | -24.4 | 179.3 | -62.9 | 176.2 | 0 | 0 | 0 | 113.3 | I40 L44 I118 V144 G145 S146 F153 | I40-L148 HydrophobicContact CG2-CD1 4.33Å; I40-L148 HydrophobicContact CG2-CD2 3.47Å; I40-L148 VanDerWaalsContact CG2-CD2 3.47Å; L44-L148 HydrophobicContact CD1-CD2 4.35Å; L44-L148 HydrophobicContact CD2-CD2 4.13Å; L44-L148 HydrophobicContact CG-CD2 4.41Å; I118-L148 HydrophobicContact CD1-CB 4.31Å; I118-L148 VanDerWaalsContact CD1-O 3.29Å; I118-L148 WeakPolarHBondContact CD1-O 3.25Å; I118-L148 HydrophobicContact CG2-CB 4.31Å; V144-L148 HydrophobicContact CG1-CD1 4.06Å; V144-L148 VanDerWaalsContact O-CG 3.28Å; V144-L148 WeakPolarHBondContact O-CG 3.39Å; V144-L148 PolarHBondContact O-N 3.48Å; V144-L148 VanDerWaalsContact O-N 3.08Å; G145-L148 PolarHBondContact O-N 3.33Å; S146-L148 VanDerWaalsContact C-N 3.35Å; S146-L148 PolarHBondContact O-N 2.76Å; L148-F153 HydrophobicContact CB-CE1 4.49Å; L148-F153 HydrophobicContact CD2-CD1 4.41Å; L148-F153 HydrophobicContact CD2-CE1 3.64Å; L148-F153 HydrophobicContact CD2-CZ 3.97Å; L148-F153 WeakPolarHBondContact O-CD1 3.39Å |
| 149 | A | 97.3 | Very high | 96.4 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 5% | 0.05 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -0.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A115 I118 H119 G145 S146 L147 R151 | A115-A149 HydrophobicContact CB-CB 4.2Å; A115-A149 VanDerWaalsContact CB-O 3.31Å; A115-A149 WeakPolarHBondContact CB-O 3.35Å; I118-A149 HydrophobicContact CB-CB 4.05Å; I118-A149 HydrophobicContact CD1-CB 4.45Å; I118-A149 HydrophobicContact CG2-CB 3.95Å; H119-A149 VanDerWaalsContact NE2-CB 3.31Å; H119-A149 WeakPolarHBondContact NE2-CB 3.35Å; G145-A149 VanDerWaalsContact O-CB 3.24Å; G145-A149 WeakPolarHBondContact O-CB 3.5Å; G145-A149 PolarHBondContact O-N 2.68Å; S146-A149 PolarHBondContact O-N 2.71Å; L147-A149 VanDerWaalsContact C-N 3.31Å; L147-A149 PolarHBondContact O-N 2.82Å; A149-R151 PolarHBondContact O-N 3.4Å |
| 150 | T | 96.9 | Very high | 96.3 | Very high | 52 Ų | 52 | 44.9 Ų | 44.9 | 32% | 0.319 | 24% | 0.241 | S | C | . | . | trans | -64 | 136 | 178.9 | 62.5 | 0 | 0 | 0 | 0 | 111.5 | S146 L147 G152 F153 L154 | S146-T150 WeakPolarHBondContact O-CG2 3.45Å; S146-T150 PolarHBondContact O-N 2.92Å; L147-T150 WeakPolarHBondContact O-CG2 3.34Å; L147-T150 PolarHBondContact O-N 2.88Å; L147-T150 PolarHBondContact O-OG1 3.32Å; T150-G152 PolarHBondContact O-N 2.9Å; T150-F153 PolarHBondContact O-N 3.41Å; T150-F153 WeakPolarHBondContact OG1-CB 3.37Å; T150-F153 PolarHBondContact OG1-N 2.88Å; T150-L154 WeakPolarHBondContact O-CG 3.4Å; T150-L154 PolarHBondContact O-N 3.05Å | ||
| 151 | R | 95.6 | Very high | 96.4 | Very high | 162 Ų | 162 | 47.2 Ų | 47.2 | 61% | 0.611 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -58.2 | -36.7 | -179.9 | -173.6 | 179.5 | -173.6 | -162.1 | -0.9 | 112.2 | A149 K155 | A149-R151 PolarHBondContact O-N 3.4Å; R151-K155 HydrophobicContact CG-CD 4.34Å; R151-K155 WeakPolarHBondContact O-CB 3.49Å; R151-K155 VanDerWaalsContact O-CG 3.3Å; R151-K155 WeakPolarHBondContact O-CG 3.48Å; R151-K155 PolarHBondContact O-N 3.25Å; R151-K155 VanDerWaalsContact O-N 3.07Å |
| 152 | G | 97.1 | Very high | 96.3 | Very high | 30 Ų | 30 | 53.4 Ų | 53.4 | 31% | 0.309 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.2 | -50 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y47 T150 K155 H156 | Y47-G152 WeakPolarHBondContact OH-CA 3.12Å; T150-G152 PolarHBondContact O-N 2.9Å; G152-K155 PolarHBondContact O-N 3.3Å; G152-H156 WeakPolarHBondContact O-CB 3.49Å; G152-H156 PolarHBondContact O-N 3.21Å |
| 153 | F | 97.3 | Very high | 96.1 | Very high | 12 Ų | 12 | 52.4 Ų | 52.4 | 5% | 0.053 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61 | -47.6 | 177 | 177.9 | -109.8 | 0 | 0 | 0 | 112.1 | L43 L44 Y47 L148 T150 K155 H156 V157 | L43-F153 HydrophobicContact CB-CE2 4.03Å; L43-F153 HydrophobicContact CB-CZ 4.08Å; L44-F153 HydrophobicContact CD2-CD2 3.99Å; L44-F153 HydrophobicContact CD2-CE2 3.67Å; L44-F153 HydrophobicContact CD2-CZ 3.99Å; L44-F153 HydrophobicContact CG-CE2 4.09Å; L44-F153 HydrophobicContact CG-CZ 4.29Å; Y47-F153 HydrophobicContact CD1-CB 3.98Å; Y47-F153 AromaticContact CD1-CD2 3.75Å; Y47-F153 HydrophobicContact CD1-CD2 3.75Å; Y47-F153 HydrophobicContact CD1-CG 4.35Å; Y47-F153 HydrophobicContact CE1-CB 3.87Å; Y47-F153 HydrophobicContact CE1-CD2 4.49Å; Y47-F153 HydrophobicContact CG-CB 4.46Å; Y47-F153 AromaticContact CG-CD2 3.86Å; Y47-F153 HydrophobicContact CG-CD2 3.86Å; L148-F153 HydrophobicContact CB-CE1 4.49Å; L148-F153 HydrophobicContact CD2-CD1 4.41Å; L148-F153 HydrophobicContact CD2-CE1 3.64Å; L148-F153 HydrophobicContact CD2-CZ 3.97Å; L148-F153 WeakPolarHBondContact O-CD1 3.39Å; T150-F153 PolarHBondContact O-N 3.41Å; T150-F153 WeakPolarHBondContact OG1-CB 3.37Å; T150-F153 PolarHBondContact OG1-N 2.88Å; F153-K155 VanDerWaalsContact C-N 3.32Å; F153-K155 PolarHBondContact O-N 3.46Å; F153-H156 WeakPolarHBondContact O-CB 3.28Å; F153-H156 PolarHBondContact O-N 3.07Å; F153-H156 VanDerWaalsContact O-N 3.09Å; F153-V157 HydrophobicContact CD1-CG2 4.35Å; F153-V157 HydrophobicContact CD2-CG2 4.24Å; F153-V157 HydrophobicContact CE1-CG2 3.94Å; F153-V157 HydrophobicContact CE2-CG2 3.81Å; F153-V157 HydrophobicContact CG-CG2 4.5Å; F153-V157 HydrophobicContact CZ-CG2 3.66Å; F153-V157 WeakPolarHBondContact O-CG2 3.47Å; F153-V157 PolarHBondContact O-N 3.16Å |
| 154 | L | 97.5 | Very high | 96 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 9% | 0.089 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 179.4 | -68.1 | 173.9 | 0 | 0 | 0 | 112.3 | F109 L114 A115 I118 T150 F158 | F109-L154 HydrophobicContact CE2-CB 4.32Å; F109-L154 HydrophobicContact CZ-CB 4.18Å; L114-L154 HydrophobicContact CB-CD1 4.06Å; L114-L154 HydrophobicContact CB-CD2 4.41Å; A115-L154 HydrophobicContact CB-CD1 3.86Å; I118-L154 HydrophobicContact CD1-CD2 3.92Å; T150-L154 WeakPolarHBondContact O-CG 3.4Å; T150-L154 PolarHBondContact O-N 3.05Å; L154-F158 WeakPolarHBondContact O-CB 3.27Å; L154-F158 PolarHBondContact O-N 2.71Å; L154-F158 VanDerWaalsContact O-N 3.08Å |
| 155 | K | 96.8 | Very high | 95.9 | Very high | 95 Ų | 95 | 51.8 Ų | 51.8 | 41% | 0.413 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 174.1 | -79.3 | -179.6 | 174.1 | -170.7 | 0 | 111.8 | F109 R151 G152 F153 F158 A159 | F109-K155 HydrophobicContact CE1-CG 3.8Å; F109-K155 HydrophobicContact CZ-CB 4.5Å; F109-K155 HydrophobicContact CZ-CG 3.95Å; R151-K155 HydrophobicContact CG-CD 4.34Å; R151-K155 WeakPolarHBondContact O-CB 3.49Å; R151-K155 VanDerWaalsContact O-CG 3.3Å; R151-K155 WeakPolarHBondContact O-CG 3.48Å; R151-K155 PolarHBondContact O-N 3.25Å; R151-K155 VanDerWaalsContact O-N 3.07Å; G152-K155 PolarHBondContact O-N 3.3Å; F153-K155 VanDerWaalsContact C-N 3.32Å; F153-K155 PolarHBondContact O-N 3.46Å; K155-F158 PolarHBondContact O-N 3.18Å; K155-A159 VanDerWaalsContact O-CB 3.28Å; K155-A159 WeakPolarHBondContact O-CB 3.39Å; K155-A159 PolarHBondContact O-N 3.02Å |
| 156 | H | 96.7 | Very high | 95.8 | Very high | 43 Ų | 43 | 51.7 Ų | 51.7 | 20% | 0.199 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 177.2 | 176 | 79 | 0 | 0 | 0 | 112 | T46 Y47 G152 F153 F158 A159 N160 | T46-H156 PolarHBondContact O-CE1 3.28Å; T46-H156 VanDerWaalsContact O-CE1 3.25Å; T46-H156 PolarHBondContact O-NE2 3.07Å; T46-H156 PolarHBondContact OG1-NE2 2.88Å; Y47-H156 HydrophobicContact CD2-CB 3.51Å; Y47-H156 AromaticContact CD2-CG 3.64Å; Y47-H156 HydrophobicContact CE2-CB 4.06Å; Y47-H156 HydrophobicContact CG-CB 4.37Å; Y47-H156 PolarHBondContact N-NE2 3.32Å; G152-H156 WeakPolarHBondContact O-CB 3.49Å; G152-H156 PolarHBondContact O-N 3.21Å; F153-H156 WeakPolarHBondContact O-CB 3.28Å; F153-H156 PolarHBondContact O-N 3.07Å; F153-H156 VanDerWaalsContact O-N 3.09Å; H156-F158 VanDerWaalsContact C-N 3.34Å; H156-F158 PolarHBondContact O-N 3.04Å; H156-A159 PolarHBondContact O-N 2.69Å; H156-N160 PolarHBondContact CE1-ND2 2.92Å; H156-N160 VanDerWaalsContact CE1-ND2 3.26Å; H156-N160 PolarHBondContact ND1-ND2 3.14Å; H156-N160 WeakPolarHBondContact O-CB 3.38Å; H156-N160 PolarHBondContact O-N 3.43Å; H156-N160 PolarHBondContact O-ND2 2.94Å |
| 157 | V | 96.9 | Very high | 95.7 | Very high | 14 Ų | 14 | 56.7 Ų | 56.7 | 9% | 0.085 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 177.7 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | L43 L103 F153 N160 R161 V166 | L43-V157 HydrophobicContact CB-CG2 4.34Å; L43-V157 HydrophobicContact CD1-CG1 4.21Å; L43-V157 HydrophobicContact CD1-CG2 4.2Å; L43-V157 HydrophobicContact CD2-CG2 4.45Å; L103-V157 HydrophobicContact CD2-CG1 3.99Å; F153-V157 HydrophobicContact CD1-CG2 4.35Å; F153-V157 HydrophobicContact CD2-CG2 4.24Å; F153-V157 HydrophobicContact CE1-CG2 3.94Å; F153-V157 HydrophobicContact CE2-CG2 3.81Å; F153-V157 HydrophobicContact CG-CG2 4.5Å; F153-V157 HydrophobicContact CZ-CG2 3.66Å; F153-V157 WeakPolarHBondContact O-CG2 3.47Å; F153-V157 PolarHBondContact O-N 3.16Å; V157-N160 CarbonylContact O-C 3.39Å; V157-N160 PolarHBondContact O-N 3.29Å; V157-R161 PolarHBondContact O-N 3.16Å; V157-R161 VanDerWaalsContact O-N 3.16Å; V157-V166 HydrophobicContact CG1-CG2 4.1Å |
| 158 | F | 96.1 | Very high | 95.5 | Very high | 38 Ų | 38 | 61.5 Ų | 61.5 | 17% | 0.167 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.3 | -40.6 | 178.8 | -178.8 | -102.9 | 0 | 0 | 0 | 113.3 | V102 F109 L154 K155 H156 N160 R161 | V102-F158 HydrophobicContact CG1-CD2 3.84Å; V102-F158 HydrophobicContact CG1-CE2 4.01Å; V102-F158 WeakPolarHBondContact O-CE2 3.34Å; F109-F158 HydrophobicContact CB-CD1 3.69Å; F109-F158 HydrophobicContact CB-CD2 3.75Å; F109-F158 HydrophobicContact CB-CE1 3.55Å; F109-F158 HydrophobicContact CB-CE2 3.62Å; F109-F158 HydrophobicContact CB-CG 3.79Å; F109-F158 HydrophobicContact CB-CZ 3.52Å; F109-F158 HydrophobicContact CD1-CD1 4Å; F109-F158 HydrophobicContact CD1-CE1 4.47Å; F109-F158 HydrophobicContact CD1-CG 4.3Å; F109-F158 HydrophobicContact CD2-CB 3.54Å; F109-F158 AromaticContact CD2-CD1 3.99Å; F109-F158 HydrophobicContact CD2-CD1 3.99Å; F109-F158 AromaticContact CD2-CD2 3.71Å; F109-F158 HydrophobicContact CD2-CD2 3.71Å; F109-F158 HydrophobicContact CD2-CE2 4.45Å; F109-F158 AromaticContact CD2-CG 3.44Å; F109-F158 HydrophobicContact CD2-CG 3.44Å; F109-F158 VanDerWaalsContact CD2-CG 3.44Å; F109-F158 HydrophobicContact CE2-CB 3.61Å; F109-F158 HydrophobicContact CE2-CG 4.05Å; F109-F158 HydrophobicContact CG-CB 4.08Å; F109-F158 AromaticContact CG-CD1 3.63Å; F109-F158 HydrophobicContact CG-CD1 3.63Å; F109-F158 AromaticContact CG-CD2 3.94Å; F109-F158 HydrophobicContact CG-CD2 3.94Å; F109-F158 HydrophobicContact CG-CE1 4.03Å; F109-F158 HydrophobicContact CG-CE2 4.32Å; F109-F158 AromaticContact CG-CG 3.58Å; F109-F158 HydrophobicContact CG-CG 3.58Å; F109-F158 HydrophobicContact CG-CZ 4.36Å; F109-F158 HydrophobicContact CZ-CB 4.21Å; L154-F158 WeakPolarHBondContact O-CB 3.27Å; L154-F158 PolarHBondContact O-N 2.71Å; L154-F158 VanDerWaalsContact O-N 3.08Å; K155-F158 PolarHBondContact O-N 3.18Å; H156-F158 VanDerWaalsContact C-N 3.34Å; H156-F158 PolarHBondContact O-N 3.04Å; F158-N160 PolarHBondContact O-N 3.26Å; F158-R161 VanDerWaalsContact O-CB 3.29Å; F158-R161 WeakPolarHBondContact O-CB 3.06Å; F158-R161 VanDerWaalsContact O-CD 3.26Å; F158-R161 WeakPolarHBondContact O-CD 3.16Å; F158-R161 WeakPolarHBondContact O-CG 3.39Å; F158-R161 PolarHBondContact O-N 3.47Å; F158-R161 PolarHBondContact O-NH1 3.42Å |
| 159 | A | 95.1 | Very high | 95.4 | Very high | 72 Ų | 72 | 61.3 Ų | 61.3 | 60% | 0.595 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -60.2 | -36.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K155 H156 | K155-A159 VanDerWaalsContact O-CB 3.28Å; K155-A159 WeakPolarHBondContact O-CB 3.39Å; K155-A159 PolarHBondContact O-N 3.02Å; H156-A159 PolarHBondContact O-N 2.69Å |
| 160 | N | 94.1 | Very high | 95.3 | Very high | 67 Ų | 67 | 61.5 Ų | 61.5 | 36% | 0.358 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 19.8 | 178.8 | -69.5 | -71.3 | 0 | 0 | 0 | 114.1 | H156 V157 F158 K162 S163 V166 | H156-N160 PolarHBondContact CE1-ND2 2.92Å; H156-N160 VanDerWaalsContact CE1-ND2 3.26Å; H156-N160 PolarHBondContact ND1-ND2 3.14Å; H156-N160 WeakPolarHBondContact O-CB 3.38Å; H156-N160 PolarHBondContact O-N 3.43Å; H156-N160 PolarHBondContact O-ND2 2.94Å; V157-N160 CarbonylContact O-C 3.39Å; V157-N160 PolarHBondContact O-N 3.29Å; F158-N160 PolarHBondContact O-N 3.26Å; N160-K162 PolarHBondContact O-N 3.1Å; N160-K162 VanDerWaalsContact O-N 3.11Å; N160-S163 WeakPolarHBondContact O-CB 3.49Å; N160-S163 PolarHBondContact O-N 3.38Å; N160-S163 PolarHBondContact O-OG 2.85Å; N160-V166 WeakPolarHBondContact O-CG2 3.24Å |
| 161 | R | 94.4 | Very high | 95.2 | Very high | 62 Ų | 62 | 63.7 Ų | 63.7 | 23% | 0.234 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -24.9 | -174.3 | 67.8 | -167.3 | 178.2 | -83.5 | 9.5 | 115.3 | L103 D105 V157 F158 S163 V166 | L103-R161 HydrophobicContact CD2-CB 4.27Å; D105-R161 VanDerWaalsContact CG-NE 3.25Å; D105-R161 IonicContact OD1-CZ 3.61Å; D105-R161 IonicContact OD1-NE 3.97Å; D105-R161 PolarHBondContact OD1-NE 3.2Å; D105-R161 IonicContact OD1-NH2 2.73Å; D105-R161 PolarHBondContact OD1-NH2 3.38Å; D105-R161 IonicContact OD2-CZ 2.81Å; D105-R161 IonicContact OD2-NE 2.63Å; D105-R161 PolarHBondContact OD2-NE 2.9Å; D105-R161 VanDerWaalsContact OD2-NE 3.12Å; D105-R161 IonicContact OD2-NH2 2.97Å; V157-R161 PolarHBondContact O-N 3.16Å; V157-R161 VanDerWaalsContact O-N 3.16Å; F158-R161 VanDerWaalsContact O-CB 3.29Å; F158-R161 WeakPolarHBondContact O-CB 3.06Å; F158-R161 VanDerWaalsContact O-CD 3.26Å; F158-R161 WeakPolarHBondContact O-CD 3.16Å; F158-R161 WeakPolarHBondContact O-CG 3.39Å; F158-R161 PolarHBondContact O-N 3.47Å; F158-R161 PolarHBondContact O-NH1 3.42Å; R161-S163 VanDerWaalsContact C-N 3.3Å; R161-V166 HydrophobicContact CB-CG1 4.28Å |
| 162 | K | 93 | Very high | 95 | Very high | 140 Ų | 140 | 57.1 Ų | 57.1 | 61% | 0.609 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -10.5 | 174.5 | -57.2 | -53.1 | -167.5 | -162.2 | 0 | 113.5 | D105 N160 R167 | D105-K162 IonicContact OD2-NZ 3.13Å; D105-K162 PolarHBondContact OD2-NZ 3.45Å; N160-K162 PolarHBondContact O-N 3.1Å; N160-K162 VanDerWaalsContact O-N 3.11Å; K162-R167 PolarHBondContact O-NE 3.48Å |
| 163 | S | 94.2 | Very high | 94.9 | Very high | 37 Ų | 37 | 56.7 Ų | 56.7 | 26% | 0.259 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -60.8 | 154.3 | 177.2 | 71.9 | 0 | 0 | 0 | 0 | 111.9 | N160 R161 T165 V166 R167 | N160-S163 WeakPolarHBondContact O-CB 3.49Å; N160-S163 PolarHBondContact O-N 3.38Å; N160-S163 PolarHBondContact O-OG 2.85Å; R161-S163 VanDerWaalsContact C-N 3.3Å; S163-T165 VanDerWaalsContact C-N 3.26Å; S163-T165 PolarHBondContact O-N 2.92Å; S163-V166 PolarHBondContact O-N 3.33Å; S163-V166 WeakPolarHBondContact OG-CG2 3.33Å; S163-V166 PolarHBondContact OG-N 2.88Å; S163-R167 WeakPolarHBondContact O-CG 3.5Å; S163-R167 PolarHBondContact O-N 3.35Å; S163-R167 VanDerWaalsContact O-N 3.11Å |
| 164 | I | 94 | Very high | 94.6 | Very high | 95 Ų | 95 | 57.5 Ų | 57.5 | 49% | 0.487 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 177.9 | -65.4 | 171 | 0 | 0 | 0 | 110.6 | R167 R168 | I164-R167 PolarHBondContact O-N 2.75Å; I164-R168 HydrophobicContact CG2-CG 4.33Å; I164-R168 WeakPolarHBondContact O-CB 3.2Å; I164-R168 VanDerWaalsContact O-CG 3.3Å; I164-R168 WeakPolarHBondContact O-CG 3.34Å; I164-R168 PolarHBondContact O-N 2.82Å |
| 165 | T | 93.8 | Very high | 94.3 | Very high | 37 Ų | 37 | 61.3 Ų | 61.3 | 23% | 0.227 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.1 | -46.8 | -179.6 | -51 | 0 | 0 | 0 | 0 | 111.9 | N39 Q42 L43 S163 R168 L169 | N39-T165 HydrophobicContact CB-CG2 4.33Å; Q42-T165 HydrophobicContact CB-CG2 3.86Å; L43-T165 HydrophobicContact CD2-CG2 4Å; L43-T165 HydrophobicContact CG-CG2 3.92Å; S163-T165 VanDerWaalsContact C-N 3.26Å; S163-T165 PolarHBondContact O-N 2.92Å; T165-R168 PolarHBondContact O-N 3.42Å; T165-L169 PolarHBondContact O-N 3.41Å |
| 166 | V | 94.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 178.3 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | L43 L103 V157 N160 R161 S163 R168 L169 V170 | L43-V166 HydrophobicContact CD1-CG2 4.35Å; L43-V166 HydrophobicContact CD2-CG2 3.62Å; L103-V166 HydrophobicContact CB-CG1 4.29Å; L103-V166 HydrophobicContact CD1-CG1 3.86Å; L103-V166 HydrophobicContact CD2-CG1 4.04Å; L103-V166 HydrophobicContact CG-CG1 4.28Å; V157-V166 HydrophobicContact CG1-CG2 4.1Å; N160-V166 WeakPolarHBondContact O-CG2 3.24Å; R161-V166 HydrophobicContact CB-CG1 4.28Å; S163-V166 PolarHBondContact O-N 3.33Å; S163-V166 WeakPolarHBondContact OG-CG2 3.33Å; S163-V166 PolarHBondContact OG-N 2.88Å; V166-R168 VanDerWaalsContact C-N 3.3Å; V166-R168 PolarHBondContact O-N 3.37Å; V166-L169 WeakPolarHBondContact O-CB 3.49Å; V166-L169 PolarHBondContact O-N 2.84Å; V166-L169 VanDerWaalsContact O-N 3.15Å; V166-V170 HydrophobicContact CG1-CG2 4.35Å; V166-V170 WeakPolarHBondContact O-CG2 3.35Å; V166-V170 PolarHBondContact O-N 3.43Å |
| 167 | R | 94.1 | Very high | 93.5 | Very high | 154 Ų | 154 | 58.8 Ų | 58.8 | 58% | 0.581 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -60.4 | -39.2 | 175 | -72.5 | -171 | -73 | 163 | -4.3 | 112.6 | K162 S163 I164 K171 | K162-R167 PolarHBondContact O-NE 3.48Å; S163-R167 WeakPolarHBondContact O-CG 3.5Å; S163-R167 PolarHBondContact O-N 3.35Å; S163-R167 VanDerWaalsContact O-N 3.11Å; I164-R167 PolarHBondContact O-N 2.75Å; R167-K171 WeakPolarHBondContact O-CB 3.19Å; R167-K171 PolarHBondContact O-N 3.31Å |
| 168 | R | 94 | Very high | 93 | Very high | 138 Ų | 138 | 64.1 Ų | 64.1 | 52% | 0.521 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 172.5 | -75.6 | 176.4 | -178.2 | 174.5 | 2.3 | 111 | I164 T165 V166 V170 K171 H172 | I164-R168 HydrophobicContact CG2-CG 4.33Å; I164-R168 WeakPolarHBondContact O-CB 3.2Å; I164-R168 VanDerWaalsContact O-CG 3.3Å; I164-R168 WeakPolarHBondContact O-CG 3.34Å; I164-R168 PolarHBondContact O-N 2.82Å; T165-R168 PolarHBondContact O-N 3.42Å; V166-R168 VanDerWaalsContact C-N 3.3Å; V166-R168 PolarHBondContact O-N 3.37Å; R168-V170 PolarHBondContact O-N 3.27Å; R168-K171 WeakPolarHBondContact O-CB 3.29Å; R168-K171 PolarHBondContact O-N 2.98Å; R168-H172 PolarHBondContact O-CD2 3.21Å; R168-H172 PolarHBondContact O-N 3.46Å |
| 169 | L | 95.2 | Very high | 92.2 | Very high | 15 Ų | 15 | 63.2 Ų | 63.2 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -52.4 | -53.7 | 176 | 178.1 | 65 | 0 | 0 | 0 | 111 | V36 N39 I40 L43 T165 V166 K171 H172 V173 | V36-L169 HydrophobicContact CB-CD1 4.49Å; V36-L169 HydrophobicContact CG1-CD1 3.95Å; N39-L169 HydrophobicContact CB-CB 3.9Å; N39-L169 HydrophobicContact CB-CD1 4.02Å; I40-L169 HydrophobicContact CG1-CD1 4.17Å; L43-L169 HydrophobicContact CD1-CD2 3.65Å; T165-L169 PolarHBondContact O-N 3.41Å; V166-L169 WeakPolarHBondContact O-CB 3.49Å; V166-L169 PolarHBondContact O-N 2.84Å; V166-L169 VanDerWaalsContact O-N 3.15Å; L169-K171 PolarHBondContact O-N 3.12Å; L169-H172 PolarHBondContact O-N 3.3Å; L169-H172 VanDerWaalsContact O-N 3.15Å; L169-V173 HydrophobicContact CD1-CG2 3.96Å; L169-V173 HydrophobicContact CG-CG2 4.27Å; L169-V173 WeakPolarHBondContact O-CB 3.32Å; L169-V173 VanDerWaalsContact O-CG2 3.31Å; L169-V173 WeakPolarHBondContact O-CG2 3.47Å; L169-V173 PolarHBondContact O-N 3.21Å |
| 170 | V | 94.5 | Very high | 91.2 | Very high | 11 Ų | 11 | 65.4 Ų | 65.4 | 7% | 0.067 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.4 | -48 | 179 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | C100 L103 E104 V166 R168 H172 V173 R174 | C100-V170 HydrophobicContact CB-CG1 4.17Å; L103-V170 HydrophobicContact CB-CG2 3.65Å; L103-V170 HydrophobicContact CD1-CG2 3.65Å; L103-V170 HydrophobicContact CG-CG2 4.31Å; E104-V170 HydrophobicContact CG-CG1 4.03Å; E104-V170 WeakPolarHBondContact OE1-CG1 3.45Å; V166-V170 HydrophobicContact CG1-CG2 4.35Å; V166-V170 WeakPolarHBondContact O-CG2 3.35Å; V166-V170 PolarHBondContact O-N 3.43Å; R168-V170 PolarHBondContact O-N 3.27Å; V170-H172 VanDerWaalsContact C-N 3.34Å; V170-H172 PolarHBondContact O-N 3.04Å; V170-V173 PolarHBondContact O-N 2.98Å; V170-R174 HydrophobicContact CG1-CG 4.46Å; V170-R174 WeakPolarHBondContact O-CB 3.5Å; V170-R174 WeakPolarHBondContact O-CG 3.41Å; V170-R174 PolarHBondContact O-N 3.29Å |
| 171 | K | 93.8 | Very high | 89.7 | Confident | 98 Ų | 98 | 66.9 Ų | 66.9 | 43% | 0.426 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.3 | -44.1 | 176.8 | 179.2 | 177.8 | -179.9 | 172.4 | 0 | 112.6 | R167 R168 L169 R175 | R167-K171 WeakPolarHBondContact O-CB 3.19Å; R167-K171 PolarHBondContact O-N 3.31Å; R168-K171 WeakPolarHBondContact O-CB 3.29Å; R168-K171 PolarHBondContact O-N 2.98Å; L169-K171 PolarHBondContact O-N 3.12Å; K171-R175 VanDerWaalsContact CE-CZ 3.45Å; K171-R175 WeakPolarHBondContact O-CG 3.19Å; K171-R175 PolarHBondContact O-N 3.19Å; K171-R175 VanDerWaalsContact O-N 3.16Å |
| 172 | H | 92.8 | Very high | 87.6 | Confident | 24 Ų | 24 | 75.5 Ų | 75.5 | 11% | 0.111 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -72.5 | -37.8 | -179.4 | -66.6 | -60.2 | 0 | 0 | 0 | 112.1 | Q32 Q35 V36 N39 R168 L169 V170 R175 L176 | Q32-H172 PolarHBondContact OE1-ND1 2.75Å; Q35-H172 HydrophobicContact CB-CB 4.4Å; V36-H172 HydrophobicContact CG2-CB 3.66Å; N39-H172 PolarHBondContact ND2-CD2 2.93Å; N39-H172 VanDerWaalsContact ND2-CD2 3.33Å; R168-H172 PolarHBondContact O-CD2 3.21Å; R168-H172 PolarHBondContact O-N 3.46Å; L169-H172 PolarHBondContact O-N 3.3Å; L169-H172 VanDerWaalsContact O-N 3.15Å; V170-H172 VanDerWaalsContact C-N 3.34Å; V170-H172 PolarHBondContact O-N 3.04Å; H172-R175 PolarHBondContact O-N 3.03Å; H172-L176 WeakPolarHBondContact O-CB 3.39Å; H172-L176 PolarHBondContact O-N 2.91Å |
| 173 | V | 93.5 | Very high | 87.3 | Confident | 20 Ų | 20 | 72.3 Ų | 72.3 | 12% | 0.121 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 174 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | V36 A96 L169 V170 R175 L176 A177 | V36-V173 HydrophobicContact CG1-CG2 4.15Å; V36-V173 HydrophobicContact CG2-CG2 3.89Å; A96-V173 HydrophobicContact CB-CG1 3.67Å; L169-V173 HydrophobicContact CD1-CG2 3.96Å; L169-V173 HydrophobicContact CG-CG2 4.27Å; L169-V173 WeakPolarHBondContact O-CB 3.32Å; L169-V173 VanDerWaalsContact O-CG2 3.31Å; L169-V173 WeakPolarHBondContact O-CG2 3.47Å; L169-V173 PolarHBondContact O-N 3.21Å; V170-V173 PolarHBondContact O-N 2.98Å; V173-R175 VanDerWaalsContact C-N 3.32Å; V173-R175 PolarHBondContact O-N 2.61Å; V173-L176 PolarHBondContact O-N 3.45Å; V173-A177 WeakPolarHBondContact O-CB 3.09Å; V173-A177 PolarHBondContact O-N 2.92Å |
| 174 | R | 92.3 | Very high | 86.9 | Confident | 30 Ų | 30 | 74.1 Ų | 74.1 | 11% | 0.113 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -55.9 | -46 | 175 | -76.9 | -174 | 167.2 | -80.3 | -7.4 | 112 | C100 E104 V170 A177 N178 L179 N180 | C100-R174 HydrophobicContact CB-CG 4.28Å; E104-R174 IonicContact OE1-CZ 3.52Å; E104-R174 IonicContact OE1-NE 2.65Å; E104-R174 PolarHBondContact OE1-NE 3.23Å; E104-R174 IonicContact OE1-NH2 2.7Å; E104-R174 PolarHBondContact OE1-NH2 2.99Å; E104-R174 IonicContact OE2-CZ 2.98Å; E104-R174 IonicContact OE2-NE 3.12Å; E104-R174 IonicContact OE2-NH2 2.78Å; E104-R174 PolarHBondContact OE2-NH2 3.08Å; V170-R174 HydrophobicContact CG1-CG 4.46Å; V170-R174 WeakPolarHBondContact O-CB 3.5Å; V170-R174 WeakPolarHBondContact O-CG 3.41Å; V170-R174 PolarHBondContact O-N 3.29Å; R174-A177 PolarHBondContact O-N 3.18Å; R174-N178 PolarHBondContact O-N 2.97Å; R174-N178 VanDerWaalsContact O-N 3.1Å; R174-L179 HydrophobicContact CB-CB 4.11Å; R174-L179 HydrophobicContact CG-CB 4.12Å; R174-L179 HydrophobicContact CG-CD1 4.28Å; R174-L179 PolarHBondContact O-N 3.35Å; R174-N180 PolarHBondContact NH1-O 3.19Å |
| 175 | R | 91 | Very high | 86.5 | Confident | 97 Ų | 97 | 72.9 Ų | 72.9 | 37% | 0.366 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 176.2 | -74.8 | 174.3 | 177.4 | -163.9 | -6.4 | 112.6 | Q32 K171 H172 V173 A177 N178 I181 | Q32-R175 HydrophobicContact CG-CB 4.17Å; K171-R175 VanDerWaalsContact CE-CZ 3.45Å; K171-R175 WeakPolarHBondContact O-CG 3.19Å; K171-R175 PolarHBondContact O-N 3.19Å; K171-R175 VanDerWaalsContact O-N 3.16Å; H172-R175 PolarHBondContact O-N 3.03Å; V173-R175 VanDerWaalsContact C-N 3.32Å; V173-R175 PolarHBondContact O-N 2.61Å; R175-A177 VanDerWaalsContact C-N 3.32Å; R175-A177 PolarHBondContact O-N 3.41Å; R175-N178 PolarHBondContact O-N 2.93Å; R175-N178 PolarHBondContact O-OD1 3.38Å; R175-I181 HydrophobicContact CG-CD1 3.67Å; R175-I181 HydrophobicContact CG-CG1 4.44Å |
| 176 | L | 87.9 | Confident | 86.1 | Confident | 69 Ų | 69 | 75.1 Ų | 75.1 | 36% | 0.361 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.6 | -37.2 | -179.7 | -172.5 | 66.4 | 0 | 0 | 0 | 111.9 | N30 Q32 L33 V36 H172 V173 | N30-L176 VanDerWaalsContact ND2-CD1 3.33Å; N30-L176 WeakPolarHBondContact ND2-CD1 3.35Å; Q32-L176 HydrophobicContact CB-CB 4.47Å; Q32-L176 HydrophobicContact CB-CD1 4.33Å; L33-L176 HydrophobicContact CB-CD1 4.29Å; V36-L176 HydrophobicContact CG2-CD2 4.37Å; H172-L176 WeakPolarHBondContact O-CB 3.39Å; H172-L176 PolarHBondContact O-N 2.91Å; V173-L176 PolarHBondContact O-N 3.45Å |
| 177 | A | 88 | Confident | 85.6 | Confident | 16 Ų | 16 | 79.7 Ų | 79.7 | 13% | 0.132 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 6.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | A96 V173 R174 R175 L179 | A96-A177 HydrophobicContact CB-CB 3.9Å; V173-A177 WeakPolarHBondContact O-CB 3.09Å; V173-A177 PolarHBondContact O-N 2.92Å; R174-A177 PolarHBondContact O-N 3.18Å; R175-A177 VanDerWaalsContact C-N 3.32Å; R175-A177 PolarHBondContact O-N 3.41Å; A177-L179 VanDerWaalsContact C-N 3.29Å; A177-L179 HydrophobicContact CB-CD1 4.06Å; A177-L179 HydrophobicContact CB-CD2 4.4Å; A177-L179 HydrophobicContact CB-CG 3.82Å; A177-L179 PolarHBondContact O-N 3.09Å |
| 178 | N | 85.9 | Confident | 85 | Confident | 126 Ų | 126 | 74.7 Ų | 74.7 | 67% | 0.674 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 48 | -175.3 | -65.3 | -30.2 | 0 | 0 | 0 | 112.7 | R93 R174 R175 | R93-N178 PolarHBondContact NH2-O 3.25Å; R93-N178 VanDerWaalsContact NH2-O 3.08Å; R174-N178 PolarHBondContact O-N 2.97Å; R174-N178 VanDerWaalsContact O-N 3.1Å; R175-N178 PolarHBondContact O-N 2.93Å; R175-N178 PolarHBondContact O-OD1 3.38Å |
| 179 | L | 80.7 | Confident | 84.4 | Confident | 19 Ų | 19 | 70.2 Ų | 70.2 | 10% | 0.099 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -94.6 | 150 | 173.5 | -53.7 | 179.6 | 0 | 0 | 0 | 109.8 | Q97 R174 A177 I181 | Q97-L179 HydrophobicContact CB-CD1 4.36Å; Q97-L179 HydrophobicContact CG-CD1 3.6Å; Q97-L179 HydrophobicContact CG-CD2 3.38Å; Q97-L179 HydrophobicContact CG-CG 4.14Å; Q97-L179 VanDerWaalsContact NE2-CD2 3.35Å; R174-L179 HydrophobicContact CB-CB 4.11Å; R174-L179 HydrophobicContact CG-CB 4.12Å; R174-L179 HydrophobicContact CG-CD1 4.28Å; R174-L179 PolarHBondContact O-N 3.35Å; A177-L179 VanDerWaalsContact C-N 3.29Å; A177-L179 HydrophobicContact CB-CD1 4.06Å; A177-L179 HydrophobicContact CB-CD2 4.4Å; A177-L179 HydrophobicContact CB-CG 3.82Å; A177-L179 PolarHBondContact O-N 3.09Å; L179-I181 PolarHBondContact O-N 3.02Å |
| 180 | N | 74.3 | Confident | 83.5 | Confident | 117 Ų | 117 | 74.5 Ų | 74.5 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 134.5 | 175.7 | -67.3 | -12.9 | 0 | 0 | 0 | 110.4 | R174 Y182 | R174-N180 PolarHBondContact NH1-O 3.19Å; N180-Y182 HydrophobicContact CB-CE2 4.25Å |
| 181 | I | 61.2 | Low | 82.6 | Confident | 98 Ų | 98 | 79.8 Ų | 79.8 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -95.7 | 116.7 | 176.6 | -54.1 | 174 | 0 | 0 | 0 | 106.5 | R175 L179 | R175-I181 HydrophobicContact CG-CD1 3.67Å; R175-I181 HydrophobicContact CG-CG1 4.44Å; L179-I181 PolarHBondContact O-N 3.02Å |
| 182 | Y | 50.2 | Low | 81.6 | Confident | 243 Ų | 243 | 78.1 Ų | 78.1 | 95% | 0.953 | 37% | 0.369 | S | S | * | . | trans | -94.5 | 0 | 170 | -60.9 | -78.4 | 0 | 0 | 0 | 110.1 | N180 | N180-Y182 HydrophobicContact CB-CE2 4.25Š|
Retrieved 182 of 182 residues in 148.6 ms
(Link to these results)