| 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 | 63.9 | Low | 88.3 | Confident | 122 Ų | 122 | 92.2 Ų | 92.2 | 60% | 0.601 | 49% | 0.49 | S | S | * | . | 0 | 109.6 | 0 | -87.5 | -66.2 | -159.9 | 0 | 0 | 110.5 | L24 E27 | M1-L24 HydrophobicContact CE-CD2 3.89Å; M1-E27 WeakPolarHBondContact CE-OE2 3.36Å; M1-E27 WeakPolarHBondContact CG-OE1 3.47Å; M1-E27 WeakPolarHBondContact CG-OE2 3.48Å | |||
| 2 | A | 76.9 | Confident | 88.7 | Confident | 88 Ų | 88 | 91.8 Ų | 91.8 | 73% | 0.727 | 48% | 0.48 | S | S | * | . | trans | -67.2 | 151.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | I4 | A2-I4 PolarHBondContact O-N 3.3Å; A2-I4 VanDerWaalsContact O-N 3.15Å | ||
| 3 | K | 88.3 | Confident | 89.2 | Confident | 143 Ų | 143 | 95.9 Ų | 95.9 | 62% | 0.622 | 49% | 0.492 | S | S | * | . | trans | -63 | 113.2 | 175.4 | 178.6 | -175 | 174.6 | -176.9 | 0 | 109.9 | K5 | K3-K5 PolarHBondContact O-N 2.8Š| ||
| 4 | I | 91.5 | Very high | 89.5 | Confident | 23 Ų | 23 | 99.4 Ų | 99.4 | 12% | 0.118 | 50% | 0.502 | C | S | . | . | trans | -59.4 | 123.9 | 175.4 | -69.2 | 167.2 | 0 | 0 | 0 | 110.2 | A2 L9 Q20 L24 R56 | A2-I4 PolarHBondContact O-N 3.3Å; A2-I4 VanDerWaalsContact O-N 3.15Å; I4-L9 HydrophobicContact CG2-CD1 3.67Å; I4-L9 HydrophobicContact CG2-CD2 3.77Å; I4-L9 HydrophobicContact CG2-CG 3.72Å; I4-Q20 VanDerWaalsContact CD1-NE2 3.28Å; I4-L24 HydrophobicContact CD1-CD1 3.71Å; I4-L24 HydrophobicContact CD1-CD2 3.99Å; I4-L24 HydrophobicContact CD1-CG 4.38Å; I4-R56 WeakPolarHBondContact O-CD 3.48Å; I4-R56 PolarHBondContact O-NE 3.1Å; I4-R56 PolarHBondContact O-NH1 3.01Å | ||
| 5 | K | 93.4 | Very high | 89.9 | Confident | 104 Ų | 104 | 103.1 Ų | 103.1 | 45% | 0.452 | 52% | 0.517 | S | S | . | . | trans | -90.9 | 143.9 | 176.3 | -55.4 | 177.4 | -179.5 | 177.4 | 0 | 109.6 | K3 R7 D8 | K3-K5 PolarHBondContact O-N 2.8Å; K5-R7 HydrophobicContact CB-CG 4.16Å; K5-R7 PolarHBondContact O-N 3.22Å; K5-D8 WeakPolarHBondContact CB-OD2 3.33Å; K5-D8 PolarHBondContact O-N 3.29Å | ||
| 6 | A | 93 | Very high | 90.3 | Very high | 36 Ų | 36 | 102.6 Ų | 102.6 | 30% | 0.298 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -29.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D8 L9 R10 V60 | A6-D8 VanDerWaalsContact C-N 3.29Å; A6-D8 PolarHBondContact O-N 2.96Å; A6-L9 PolarHBondContact O-N 3.3Å; A6-R10 PolarHBondContact O-N 3.47Å; A6-V60 HydrophobicContact CB-CG2 4.4Å |
| 7 | R | 94.1 | Very high | 90.6 | Very high | 171 Ų | 171 | 96.8 Ų | 96.8 | 65% | 0.645 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.8 | -36.7 | 177.3 | 75.5 | -170.3 | -178.4 | 174.3 | 4.2 | 112.3 | K5 L9 R10 | K5-R7 HydrophobicContact CB-CG 4.16Å; K5-R7 PolarHBondContact O-N 3.22Å; R7-L9 PolarHBondContact O-N 3.13Å; R7-R10 PolarHBondContact O-N 2.94Å |
| 8 | D | 91.7 | Very high | 91 | Very high | 85 Ų | 85 | 95.5 Ų | 95.5 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -76.7 | -14.8 | -177.8 | -43.5 | -30.2 | 0 | 0 | 0 | 111.7 | K5 A6 K12 | K5-D8 WeakPolarHBondContact CB-OD2 3.33Å; K5-D8 PolarHBondContact O-N 3.29Å; A6-D8 VanDerWaalsContact C-N 3.29Å; A6-D8 PolarHBondContact O-N 2.96Å; D8-K12 WeakPolarHBondContact O-CE 3.36Å |
| 9 | L | 94 | Very high | 91.3 | Very high | 1 Ų | 1 | 98.2 Ų | 98.2 | 1% | 0.005 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -91.8 | -25.1 | 177.3 | -63.1 | 176.6 | 0 | 0 | 0 | 112.5 | I4 A6 R7 L17 R56 V57 V60 | I4-L9 HydrophobicContact CG2-CD1 3.67Å; I4-L9 HydrophobicContact CG2-CD2 3.77Å; I4-L9 HydrophobicContact CG2-CG 3.72Å; A6-L9 PolarHBondContact O-N 3.3Å; R7-L9 PolarHBondContact O-N 3.13Å; L9-L17 HydrophobicContact CB-CD2 4.07Å; L9-L17 HydrophobicContact CD2-CD2 3.81Å; L9-L17 HydrophobicContact CG-CD2 4.48Å; L9-R56 HydrophobicContact CD1-CB 4.32Å; L9-V57 HydrophobicContact CD1-CB 4.43Å; L9-V57 HydrophobicContact CD1-CG2 3.79Å; L9-V57 HydrophobicContact CD2-CG2 4.11Å; L9-V60 HydrophobicContact CB-CB 4.33Å; L9-V60 HydrophobicContact CB-CG1 4.11Å; L9-V60 HydrophobicContact CB-CG2 4.03Å; L9-V60 HydrophobicContact CD1-CG2 4.07Å |
| 10 | R | 93 | Very high | 91.4 | Very high | 156 Ų | 156 | 95.3 Ų | 95.3 | 59% | 0.589 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 132.3 | 177.7 | -70.1 | 175.1 | -177 | 170.9 | -0.4 | 108.5 | A6 R7 V60 | A6-R10 PolarHBondContact O-N 3.47Å; R7-R10 PolarHBondContact O-N 2.94Å; R10-V60 HydrophobicContact CG-CG1 4.33Å |
| 11 | G | 91.3 | Very high | 91.7 | Very high | 85 Ų | 85 | 91.1 Ų | 91.1 | 88% | 0.876 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.3 | -20.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 12 | K | 94 | Very high | 93.3 | Very high | 87 Ų | 87 | 89.1 Ų | 89.1 | 38% | 0.378 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -67.1 | 150.5 | 171 | -66 | -167.5 | -180 | -169.3 | 0 | 111.7 | D8 E16 L17 | D8-K12 WeakPolarHBondContact O-CE 3.36Å; K12-E16 HydrophobicContact CB-CB 4.49Å; K12-E16 WeakPolarHBondContact CB-OE2 3.39Å; K12-L17 HydrophobicContact CB-CD2 4.04Å; K12-L17 HydrophobicContact CB-CG 4.05Å; K12-L17 HydrophobicContact CD-CD2 4.15Å |
| 13 | K | 94.9 | Very high | 94.2 | Very high | 146 Ų | 146 | 89.5 Ų | 89.5 | 64% | 0.635 | 43% | 0.432 | S | S | * | . | trans | -68.8 | 154.4 | 174.2 | -68.1 | -178.6 | -179.2 | 177.4 | 0 | 110.7 | E15 E16 L17 | K13-E15 VanDerWaalsContact C-N 3.25Å; K13-E15 PolarHBondContact O-N 3.12Å; K13-E16 HydrophobicContact CB-CG 4.31Å; K13-E16 PolarHBondContact O-N 3.19Å; K13-L17 PolarHBondContact O-N 3.48Å; K13-L17 VanDerWaalsContact O-N 3.13Å | ||
| 14 | K | 93.4 | Very high | 94.6 | Very high | 145 Ų | 145 | 82.9 Ų | 82.9 | 63% | 0.63 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -56.9 | -40.7 | 179.2 | -176.8 | -177.1 | 174.5 | -169.8 | 0 | 111.8 | L17 L18 | K14-L17 PolarHBondContact O-N 2.91Å; K14-L18 HydrophobicContact CG-CD1 4.25Å; K14-L18 WeakPolarHBondContact O-CG 3.11Å; K14-L18 PolarHBondContact O-N 3Å |
| 15 | E | 95.7 | Very high | 94.8 | Very high | 154 Ų | 154 | 86.5 Ų | 86.5 | 72% | 0.72 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.3 | -44.3 | 179.1 | -69.1 | 163.2 | -164.6 | 0 | 0 | 112.2 | K13 L17 L18 K19 | K13-E15 VanDerWaalsContact C-N 3.25Å; K13-E15 PolarHBondContact O-N 3.12Å; E15-L17 VanDerWaalsContact C-N 3.32Å; E15-L17 PolarHBondContact O-N 3.43Å; E15-L18 PolarHBondContact O-N 3.03Å; E15-K19 PolarHBondContact O-N 3.46Å |
| 16 | E | 95.6 | Very high | 95 | Very high | 95 Ų | 95 | 85.6 Ų | 85.6 | 44% | 0.444 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 175.7 | -65.9 | 170.9 | -165.5 | 0 | 0 | 111.9 | K12 K13 L18 K19 Q20 | K12-E16 HydrophobicContact CB-CB 4.49Å; K12-E16 WeakPolarHBondContact CB-OE2 3.39Å; K13-E16 HydrophobicContact CB-CG 4.31Å; K13-E16 PolarHBondContact O-N 3.19Å; E16-L18 VanDerWaalsContact C-N 3.34Å; E16-K19 PolarHBondContact O-N 3.26Å; E16-Q20 WeakPolarHBondContact O-CB 2.99Å; E16-Q20 PolarHBondContact O-N 2.93Å |
| 17 | L | 95.9 | Very high | 95.1 | Very high | 5 Ų | 5 | 85.6 Ų | 85.6 | 3% | 0.026 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.9 | -34.9 | 176.3 | -67.4 | 175.4 | 0 | 0 | 0 | 112.2 | L9 K12 K13 K14 E15 L21 V57 V60 I61 | L9-L17 HydrophobicContact CB-CD2 4.07Å; L9-L17 HydrophobicContact CD2-CD2 3.81Å; L9-L17 HydrophobicContact CG-CD2 4.48Å; K12-L17 HydrophobicContact CB-CD2 4.04Å; K12-L17 HydrophobicContact CB-CG 4.05Å; K12-L17 HydrophobicContact CD-CD2 4.15Å; K13-L17 PolarHBondContact O-N 3.48Å; K13-L17 VanDerWaalsContact O-N 3.13Å; K14-L17 PolarHBondContact O-N 2.91Å; E15-L17 VanDerWaalsContact C-N 3.32Å; E15-L17 PolarHBondContact O-N 3.43Å; L17-L21 VanDerWaalsContact O-CB 3.27Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 PolarHBondContact O-N 2.95Å; L17-V57 HydrophobicContact CB-CG1 4.34Å; L17-V57 WeakPolarHBondContact O-CG1 3.43Å; L17-V60 HydrophobicContact CD1-CG1 4.26Å; L17-I61 HydrophobicContact CB-CD1 3.93Å; L17-I61 HydrophobicContact CB-CG1 3.9Å; L17-I61 HydrophobicContact CD1-CG1 3.88Å |
| 18 | L | 96.9 | Very high | 95.2 | Very high | 73 Ų | 73 | 78.3 Ų | 78.3 | 38% | 0.382 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.8 | -44 | 175.4 | -72.2 | 173.5 | 0 | 0 | 0 | 111.5 | K14 E15 E16 Q20 L21 D22 I61 | K14-L18 HydrophobicContact CG-CD1 4.25Å; K14-L18 WeakPolarHBondContact O-CG 3.11Å; K14-L18 PolarHBondContact O-N 3Å; E15-L18 PolarHBondContact O-N 3.03Å; E16-L18 VanDerWaalsContact C-N 3.34Å; L18-Q20 PolarHBondContact O-N 3.24Å; L18-L21 HydrophobicContact CD2-CD2 4.4Å; L18-L21 VanDerWaalsContact O-CB 3.32Å; L18-L21 WeakPolarHBondContact O-CB 3.33Å; L18-L21 PolarHBondContact O-N 3.12Å; L18-L21 VanDerWaalsContact O-N 3.12Å; L18-D22 PolarHBondContact O-N 3.09Å; L18-I61 HydrophobicContact CD2-CD1 4.19Å |
| 19 | K | 96.7 | Very high | 95.4 | Very high | 146 Ų | 146 | 77.5 Ų | 77.5 | 64% | 0.635 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -58 | -49.7 | 173.3 | -174.1 | 176.2 | -179.5 | 177.1 | 0 | 111.3 | E15 E16 L21 D22 D23 | E15-K19 PolarHBondContact O-N 3.46Å; E16-K19 PolarHBondContact O-N 3.26Å; K19-L21 PolarHBondContact O-N 3.46Å; K19-D22 PolarHBondContact O-N 3Å; K19-D22 VanDerWaalsContact O-N 3.12Å; K19-D23 PolarHBondContact O-N 3Å |
| 20 | Q | 94.7 | Very high | 95.4 | Very high | 41 Ų | 41 | 83.7 Ų | 83.7 | 19% | 0.192 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.6 | -33.5 | 176.6 | -174.7 | 171.8 | -0.1 | 0 | 0 | 112.4 | I4 E16 L18 L24 | I4-Q20 VanDerWaalsContact CD1-NE2 3.28Å; E16-Q20 WeakPolarHBondContact O-CB 2.99Å; E16-Q20 PolarHBondContact O-N 2.93Å; L18-Q20 PolarHBondContact O-N 3.24Å; Q20-L24 HydrophobicContact CG-CD1 4.37Å; Q20-L24 WeakPolarHBondContact O-CD1 3.32Å; Q20-L24 WeakPolarHBondContact O-CG 3.35Å; Q20-L24 PolarHBondContact O-N 3.35Å |
| 21 | L | 96.6 | Very high | 95.4 | Very high | 8 Ų | 8 | 77 Ų | 77 | 4% | 0.042 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 175.6 | 175.7 | 65.9 | 0 | 0 | 0 | 111.7 | L17 L18 K19 L24 K25 I54 V57 L58 | L17-L21 VanDerWaalsContact O-CB 3.27Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 PolarHBondContact O-N 2.95Å; L18-L21 HydrophobicContact CD2-CD2 4.4Å; L18-L21 VanDerWaalsContact O-CB 3.32Å; L18-L21 WeakPolarHBondContact O-CB 3.33Å; L18-L21 PolarHBondContact O-N 3.12Å; L18-L21 VanDerWaalsContact O-N 3.12Å; K19-L21 PolarHBondContact O-N 3.46Å; L21-L24 PolarHBondContact O-N 3.01Å; L21-K25 WeakPolarHBondContact O-CG 3.45Å; L21-K25 PolarHBondContact O-N 3.29Å; L21-K25 VanDerWaalsContact O-N 3.09Å; L21-I54 HydrophobicContact CD1-CG2 3.79Å; L21-V57 HydrophobicContact CB-CG1 3.99Å; L21-V57 HydrophobicContact CD1-CG1 4.44Å; L21-L58 HydrophobicContact CD1-CD2 4.11Å; L21-L58 HydrophobicContact CD1-CG 3.97Å; L21-L58 HydrophobicContact CD2-CD2 3.62Å; L21-L58 HydrophobicContact CD2-CG 4.39Å |
| 22 | D | 97.4 | Very high | 95.6 | Very high | 79 Ų | 79 | 80.4 Ų | 80.4 | 42% | 0.422 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -70.9 | -41.1 | -179.1 | -69.5 | -29.3 | 0 | 0 | 0 | 111.7 | L18 K19 L24 K25 V26 | L18-D22 PolarHBondContact O-N 3.09Å; K19-D22 PolarHBondContact O-N 3Å; K19-D22 VanDerWaalsContact O-N 3.12Å; D22-L24 VanDerWaalsContact C-N 3.28Å; D22-L24 PolarHBondContact O-N 3.1Å; D22-K25 WeakPolarHBondContact O-CB 3.27Å; D22-K25 PolarHBondContact O-N 2.91Å; D22-K25 IonicContact OD1-NZ 2.73Å; D22-K25 PolarHBondContact OD1-NZ 3.31Å; D22-V26 WeakPolarHBondContact O-CG2 3.45Å; D22-V26 PolarHBondContact O-N 3.3Å |
| 23 | D | 96.2 | Very high | 95.6 | Very high | 96 Ų | 96 | 80.6 Ų | 80.6 | 51% | 0.513 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -55.1 | -44.3 | 172.7 | -65.7 | -24.3 | 0 | 0 | 0 | 111.6 | K19 K25 V26 E27 | K19-D23 PolarHBondContact O-N 3Å; D23-K25 VanDerWaalsContact C-N 3.35Å; D23-K25 PolarHBondContact O-N 3.39Å; D23-V26 PolarHBondContact O-N 2.97Å; D23-E27 PolarHBondContact O-N 3.37Å |
| 24 | L | 96.1 | Very high | 95.5 | Very high | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.1 | -32.4 | 177.2 | -71.8 | 169 | 0 | 0 | 0 | 113 | M1 I4 Q20 L21 D22 L28 V50 I54 V57 | M1-L24 HydrophobicContact CE-CD2 3.89Å; I4-L24 HydrophobicContact CD1-CD1 3.71Å; I4-L24 HydrophobicContact CD1-CD2 3.99Å; I4-L24 HydrophobicContact CD1-CG 4.38Å; Q20-L24 HydrophobicContact CG-CD1 4.37Å; Q20-L24 WeakPolarHBondContact O-CD1 3.32Å; Q20-L24 WeakPolarHBondContact O-CG 3.35Å; Q20-L24 PolarHBondContact O-N 3.35Å; L21-L24 PolarHBondContact O-N 3.01Å; D22-L24 VanDerWaalsContact C-N 3.28Å; D22-L24 PolarHBondContact O-N 3.1Å; L24-L28 WeakPolarHBondContact O-CB 3.38Å; L24-L28 PolarHBondContact O-N 3.32Å; L24-V50 HydrophobicContact CB-CG1 4.46Å; L24-V50 HydrophobicContact CD2-CG1 4.27Å; L24-V50 VanDerWaalsContact O-CG1 3.32Å; L24-V50 WeakPolarHBondContact O-CG1 3.32Å; L24-I54 HydrophobicContact CB-CD1 4.28Å; L24-I54 HydrophobicContact CB-CG1 3.63Å; L24-I54 HydrophobicContact CD1-CG1 4.34Å; L24-V57 HydrophobicContact CD1-CG2 4.01Å |
| 25 | K | 97.2 | Very high | 95.6 | Very high | 100 Ų | 100 | 74.2 Ų | 74.2 | 44% | 0.435 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.2 | -40.8 | 175.1 | -72.9 | 173.4 | -168.6 | 154.2 | 0 | 111.1 | L21 D22 D23 L28 S29 I54 | L21-K25 WeakPolarHBondContact O-CG 3.45Å; L21-K25 PolarHBondContact O-N 3.29Å; L21-K25 VanDerWaalsContact O-N 3.09Å; D22-K25 WeakPolarHBondContact O-CB 3.27Å; D22-K25 PolarHBondContact O-N 2.91Å; D22-K25 IonicContact OD1-NZ 2.73Å; D22-K25 PolarHBondContact OD1-NZ 3.31Å; D23-K25 VanDerWaalsContact C-N 3.35Å; D23-K25 PolarHBondContact O-N 3.39Å; K25-L28 PolarHBondContact O-N 3.05Å; K25-S29 PolarHBondContact O-N 3.42Å; K25-I54 HydrophobicContact CG-CD1 4.39Å |
| 26 | V | 97 | Very high | 95.5 | Very high | 84 Ų | 84 | 73 Ų | 73 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 175.2 | 177.7 | 0 | 0 | 0 | 0 | 110 | D22 D23 L28 S29 Q30 | D22-V26 WeakPolarHBondContact O-CG2 3.45Å; D22-V26 PolarHBondContact O-N 3.3Å; D23-V26 PolarHBondContact O-N 2.97Å; V26-L28 VanDerWaalsContact C-N 3.33Å; V26-L28 PolarHBondContact O-N 3.36Å; V26-S29 WeakPolarHBondContact O-CB 3.4Å; V26-S29 PolarHBondContact O-N 3Å; V26-S29 VanDerWaalsContact O-N 3.1Å; V26-Q30 WeakPolarHBondContact O-CG 3.47Å; V26-Q30 PolarHBondContact O-N 3.17Å |
| 27 | E | 94.1 | Very high | 95.4 | Very high | 36 Ų | 36 | 73.6 Ų | 73.6 | 17% | 0.168 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 175.4 | -171.9 | -173.2 | -169.8 | 0 | 0 | 111.4 | M1 D23 S29 Q30 L31 V50 | M1-E27 WeakPolarHBondContact CE-OE2 3.36Å; M1-E27 WeakPolarHBondContact CG-OE1 3.47Å; M1-E27 WeakPolarHBondContact CG-OE2 3.48Å; D23-E27 PolarHBondContact O-N 3.37Å; E27-S29 VanDerWaalsContact C-N 3.29Å; E27-S29 PolarHBondContact O-N 3.06Å; E27-Q30 PolarHBondContact O-N 3.19Å; E27-L31 HydrophobicContact CG-CD1 4.19Å; E27-L31 HydrophobicContact CG-CG 4.48Å; E27-L31 VanDerWaalsContact O-CG 3.27Å; E27-L31 WeakPolarHBondContact O-CG 3.44Å; E27-L31 PolarHBondContact O-N 2.95Å; E27-V50 HydrophobicContact CG-CG2 4.32Å; E27-V50 WeakPolarHBondContact OE2-CG2 3.41Å |
| 28 | L | 96 | Very high | 95 | Very high | 18 Ų | 18 | 76.5 Ų | 76.5 | 9% | 0.094 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.1 | -38.9 | 176.6 | -178.6 | 61.6 | 0 | 0 | 0 | 112.1 | L24 K25 V26 L31 R32 I47 V50 I54 | L24-L28 WeakPolarHBondContact O-CB 3.38Å; L24-L28 PolarHBondContact O-N 3.32Å; K25-L28 PolarHBondContact O-N 3.05Å; V26-L28 VanDerWaalsContact C-N 3.33Å; V26-L28 PolarHBondContact O-N 3.36Å; L28-L31 PolarHBondContact O-N 3.23Å; L28-R32 VanDerWaalsContact O-CG 3.32Å; L28-R32 WeakPolarHBondContact O-CG 3.37Å; L28-R32 PolarHBondContact O-N 3.44Å; L28-I47 HydrophobicContact CD1-CG2 4.09Å; L28-V50 HydrophobicContact CB-CG1 3.89Å; L28-I54 HydrophobicContact CB-CD1 4.11Å; L28-I54 HydrophobicContact CD2-CD1 3.68Å |
| 29 | S | 95.9 | Very high | 94.6 | Very high | 69 Ų | 69 | 73.9 Ų | 73.9 | 48% | 0.483 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.4 | -48.7 | 176.8 | -167.3 | 0 | 0 | 0 | 0 | 111.1 | K25 V26 E27 L31 R32 V33 | K25-S29 PolarHBondContact O-N 3.42Å; V26-S29 WeakPolarHBondContact O-CB 3.4Å; V26-S29 PolarHBondContact O-N 3Å; V26-S29 VanDerWaalsContact O-N 3.1Å; E27-S29 VanDerWaalsContact C-N 3.29Å; E27-S29 PolarHBondContact O-N 3.06Å; S29-L31 VanDerWaalsContact C-N 3.32Å; S29-L31 PolarHBondContact O-N 3.37Å; S29-R32 WeakPolarHBondContact O-CB 3.39Å; S29-R32 PolarHBondContact O-N 2.98Å; S29-V33 PolarHBondContact O-N 3.28Å |
| 30 | Q | 93.8 | Very high | 94.4 | Very high | 130 Ų | 130 | 69.7 Ų | 69.7 | 61% | 0.607 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -59.5 | -41.8 | 176.6 | -68.3 | 174.5 | -7.3 | 0 | 0 | 112.1 | V26 E27 R32 V33 A34 | V26-Q30 WeakPolarHBondContact O-CG 3.47Å; V26-Q30 PolarHBondContact O-N 3.17Å; E27-Q30 PolarHBondContact O-N 3.19Å; Q30-R32 VanDerWaalsContact C-N 3.3Å; Q30-R32 PolarHBondContact O-N 3.21Å; Q30-V33 PolarHBondContact O-N 3.18Å; Q30-A34 PolarHBondContact O-N 2.85Å |
| 31 | L | 94.6 | Very high | 94.2 | Very high | 17 Ų | 17 | 71.6 Ų | 71.6 | 9% | 0.089 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -67.2 | -29.4 | 176.8 | -67.5 | 173.7 | 0 | 0 | 0 | 112.9 | E27 L28 S29 K35 K43 K46 I47 V50 | E27-L31 HydrophobicContact CG-CD1 4.19Å; E27-L31 HydrophobicContact CG-CG 4.48Å; E27-L31 VanDerWaalsContact O-CG 3.27Å; E27-L31 WeakPolarHBondContact O-CG 3.44Å; E27-L31 PolarHBondContact O-N 2.95Å; L28-L31 PolarHBondContact O-N 3.23Å; S29-L31 VanDerWaalsContact C-N 3.32Å; S29-L31 PolarHBondContact O-N 3.37Å; L31-K35 PolarHBondContact O-N 3.15Å; L31-K35 VanDerWaalsContact O-N 3.07Å; L31-K43 HydrophobicContact CD2-CB 4.36Å; L31-K46 HydrophobicContact CD1-CB 3.86Å; L31-K46 HydrophobicContact CD2-CB 4.36Å; L31-I47 HydrophobicContact CB-CG1 3.78Å; L31-I47 HydrophobicContact CD1-CG1 4.44Å; L31-V50 HydrophobicContact CD1-CB 4.42Å; L31-V50 HydrophobicContact CD1-CG2 3.79Å |
| 32 | R | 94.4 | Very high | 93.9 | Very high | 155 Ų | 155 | 74.8 Ų | 74.8 | 59% | 0.585 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -71.5 | -40.4 | 174 | -76.4 | 172.9 | 173.6 | -168.5 | -2.7 | 111.7 | L28 S29 Q30 A34 K35 V36 | L28-R32 VanDerWaalsContact O-CG 3.32Å; L28-R32 WeakPolarHBondContact O-CG 3.37Å; L28-R32 PolarHBondContact O-N 3.44Å; S29-R32 WeakPolarHBondContact O-CB 3.39Å; S29-R32 PolarHBondContact O-N 2.98Å; Q30-R32 VanDerWaalsContact C-N 3.3Å; Q30-R32 PolarHBondContact O-N 3.21Å; R32-A34 VanDerWaalsContact C-N 3.35Å; R32-K35 WeakPolarHBondContact O-CB 3.4Å; R32-K35 PolarHBondContact O-N 3.08Å; R32-V36 PolarHBondContact O-N 3.24Å |
| 33 | V | 94.4 | Very high | 93.6 | Very high | 91 Ų | 91 | 76.4 Ų | 76.4 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -60 | -47.9 | 172.1 | 176.8 | 0 | 0 | 0 | 0 | 110 | S29 Q30 K35 V36 T37 | S29-V33 PolarHBondContact O-N 3.28Å; Q30-V33 PolarHBondContact O-N 3.18Å; V33-K35 PolarHBondContact O-N 3.1Å; V33-K35 VanDerWaalsContact O-N 3.17Å; V33-V36 PolarHBondContact O-N 3.4Å; V33-T37 PolarHBondContact O-N 2.95Å |
| 34 | A | 93.1 | Very high | 93.3 | Very high | 18 Ų | 18 | 74.8 Ų | 74.8 | 15% | 0.149 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -60.3 | -27.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q30 R32 T37 G39 | Q30-A34 PolarHBondContact O-N 2.85Å; R32-A34 VanDerWaalsContact C-N 3.35Å; A34-T37 PolarHBondContact O-OG1 3.41Å; A34-G39 WeakPolarHBondContact O-CA 3.45Å; A34-G39 PolarHBondContact O-N 2.83Å |
| 35 | K | 94.6 | Very high | 93.1 | Very high | 139 Ų | 139 | 78.2 Ų | 78.2 | 60% | 0.604 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -67.1 | -39.3 | 173.3 | -176.4 | -174.2 | 174.2 | -168.4 | 0 | 112 | L31 R32 V33 L44 I47 | L31-K35 PolarHBondContact O-N 3.15Å; L31-K35 VanDerWaalsContact O-N 3.07Å; R32-K35 WeakPolarHBondContact O-CB 3.4Å; R32-K35 PolarHBondContact O-N 3.08Å; V33-K35 PolarHBondContact O-N 3.1Å; V33-K35 VanDerWaalsContact O-N 3.17Å; K35-L44 HydrophobicContact CB-CD2 3.83Å; K35-L44 HydrophobicContact CG-CD2 4.12Å; K35-I47 HydrophobicContact CB-CD1 4.11Å; K35-I47 HydrophobicContact CD-CD1 4.23Å; K35-I47 HydrophobicContact CG-CD1 4.5Å |
| 36 | V | 94.1 | Very high | 92.9 | Very high | 130 Ų | 130 | 77.4 Ų | 77.4 | 79% | 0.788 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -69.9 | -40 | -179.9 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | R32 V33 G38 | R32-V36 PolarHBondContact O-N 3.24Å; V33-V36 PolarHBondContact O-N 3.4Å; V36-G38 PolarHBondContact O-N 3.15Å |
| 37 | T | 93 | Very high | 92.7 | Very high | 107 Ų | 107 | 75 Ų | 75 | 66% | 0.656 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 8 | -179.4 | 65.7 | 0 | 0 | 0 | 0 | 114.3 | V33 A34 | V33-T37 PolarHBondContact O-N 2.95Å; A34-T37 PolarHBondContact O-OG1 3.41Å |
| 38 | G | 89.1 | Confident | 92.7 | Very high | 65 Ų | 65 | 81.9 Ų | 81.9 | 67% | 0.67 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 33.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V36 | V36-G38 PolarHBondContact O-N 3.15Š|
| 39 | G | 87.7 | Confident | 92.6 | Very high | 19 Ų | 19 | 83.5 Ų | 83.5 | 20% | 0.196 | 47% | 0.472 | C | S | . | . | trans | -61.6 | 159.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A34 L44 | A34-G39 WeakPolarHBondContact O-CA 3.45Å; A34-G39 PolarHBondContact O-N 2.83Å; G39-L44 WeakPolarHBondContact O-CD1 3.43Å | ||
| 40 | A | 91.9 | Very high | 92.6 | Very high | 58 Ų | 58 | 80.2 Ų | 80.2 | 48% | 0.479 | 45% | 0.449 | S | S | . | . | trans | -47.9 | 141 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | S42 K43 L44 | A40-S42 PolarHBondContact O-N 3.3Å; A40-S42 VanDerWaalsContact O-N 3.08Å; A40-K43 WeakPolarHBondContact O-CA 3.43Å; A40-K43 WeakPolarHBondContact O-CB 3.32Å; A40-K43 PolarHBondContact O-N 2.9Å; A40-L44 PolarHBondContact O-N 2.88Å; A40-L44 VanDerWaalsContact O-N 3.15Å | ||
| 41 | A | 91.1 | Very high | 92.7 | Very high | 80 Ų | 80 | 81 Ų | 81 | 66% | 0.661 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -54.1 | -33.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K43 L44 S45 | A41-K43 VanDerWaalsContact C-N 3.3Å; A41-K43 PolarHBondContact O-N 2.98Å; A41-L44 PolarHBondContact O-N 2.93Å; A41-S45 PolarHBondContact O-N 3.23Å |
| 42 | S | 91 | Very high | 92.8 | Very high | 76 Ų | 76 | 85.7 Ų | 85.7 | 53% | 0.531 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.1 | -26.8 | 175.4 | 64.3 | 0 | 0 | 0 | 0 | 113.8 | A40 S45 K46 | A40-S42 PolarHBondContact O-N 3.3Å; A40-S42 VanDerWaalsContact O-N 3.08Å; S42-S45 PolarHBondContact O-OG 3.07Å; S42-S45 VanDerWaalsContact O-OG 3.1Å; S42-K46 WeakPolarHBondContact O-CG 3.45Å |
| 43 | K | 89.3 | Confident | 92.9 | Very high | 112 Ų | 112 | 78.5 Ų | 78.5 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -79.1 | -42.1 | 170.4 | -69 | -175.7 | 178.5 | 178.1 | 0 | 110.5 | L31 A40 A41 S45 K46 | L31-K43 HydrophobicContact CD2-CB 4.36Å; A40-K43 WeakPolarHBondContact O-CA 3.43Å; A40-K43 WeakPolarHBondContact O-CB 3.32Å; A40-K43 PolarHBondContact O-N 2.9Å; A41-K43 VanDerWaalsContact C-N 3.3Å; A41-K43 PolarHBondContact O-N 2.98Å; K43-S45 VanDerWaalsContact C-N 3.33Å; K43-S45 PolarHBondContact O-N 3.2Å; K43-K46 WeakPolarHBondContact O-CB 3.2Å; K43-K46 PolarHBondContact O-N 3.33Å |
| 44 | L | 90.3 | Very high | 93 | Very high | 62 Ų | 62 | 75.2 Ų | 75.2 | 33% | 0.325 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.3 | -37.5 | 179.9 | -56.9 | -176.6 | 0 | 0 | 0 | 112.7 | K35 G39 A40 A41 K46 I47 | K35-L44 HydrophobicContact CB-CD2 3.83Å; K35-L44 HydrophobicContact CG-CD2 4.12Å; G39-L44 WeakPolarHBondContact O-CD1 3.43Å; A40-L44 PolarHBondContact O-N 2.88Å; A40-L44 VanDerWaalsContact O-N 3.15Å; A41-L44 PolarHBondContact O-N 2.93Å; L44-K46 PolarHBondContact O-N 3.17Å; L44-I47 HydrophobicContact CD2-CD1 4.36Å; L44-I47 WeakPolarHBondContact O-CB 3.41Å; L44-I47 WeakPolarHBondContact O-CG1 3.5Å; L44-I47 PolarHBondContact O-N 3.42Å |
| 45 | S | 91.7 | Very high | 93.2 | Very high | 76 Ų | 76 | 76.4 Ų | 76.4 | 53% | 0.531 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -29 | 177.4 | 69.8 | 0 | 0 | 0 | 0 | 113.1 | A41 S42 K43 I47 | A41-S45 PolarHBondContact O-N 3.23Å; S42-S45 PolarHBondContact O-OG 3.07Å; S42-S45 VanDerWaalsContact O-OG 3.1Å; K43-S45 VanDerWaalsContact C-N 3.33Å; K43-S45 PolarHBondContact O-N 3.2Å; S45-I47 VanDerWaalsContact C-N 3.28Å; S45-I47 PolarHBondContact O-N 3.01Å |
| 46 | K | 93 | Very high | 93.2 | Very high | 83 Ų | 83 | 72.3 Ų | 72.3 | 36% | 0.361 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.6 | -25.5 | 177.9 | -66.4 | 175.3 | -175.7 | 176.8 | 0 | 113 | L31 S42 K43 L44 R48 V49 V50 | L31-K46 HydrophobicContact CD1-CB 3.86Å; L31-K46 HydrophobicContact CD2-CB 4.36Å; S42-K46 WeakPolarHBondContact O-CG 3.45Å; K43-K46 WeakPolarHBondContact O-CB 3.2Å; K43-K46 PolarHBondContact O-N 3.33Å; L44-K46 PolarHBondContact O-N 3.17Å; K46-R48 VanDerWaalsContact C-N 3.27Å; K46-R48 PolarHBondContact O-N 3.41Å; K46-V49 WeakPolarHBondContact O-CA 3.37Å; K46-V49 WeakPolarHBondContact O-CB 3.27Å; K46-V49 PolarHBondContact O-N 3.3Å; K46-V50 WeakPolarHBondContact O-CG2 3.34Å; K46-V50 PolarHBondContact O-N 3.29Å |
| 47 | I | 94.2 | Very high | 93.3 | Very high | 34 Ų | 34 | 66.1 Ų | 66.1 | 17% | 0.174 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -53.9 | -45.2 | -179.9 | -65.1 | 171.7 | 0 | 0 | 0 | 111 | L28 L31 K35 L44 S45 V49 R51 | L28-I47 HydrophobicContact CD1-CG2 4.09Å; L31-I47 HydrophobicContact CB-CG1 3.78Å; L31-I47 HydrophobicContact CD1-CG1 4.44Å; K35-I47 HydrophobicContact CB-CD1 4.11Å; K35-I47 HydrophobicContact CD-CD1 4.23Å; K35-I47 HydrophobicContact CG-CD1 4.5Å; L44-I47 HydrophobicContact CD2-CD1 4.36Å; L44-I47 WeakPolarHBondContact O-CB 3.41Å; L44-I47 WeakPolarHBondContact O-CG1 3.5Å; L44-I47 PolarHBondContact O-N 3.42Å; S45-I47 VanDerWaalsContact C-N 3.28Å; S45-I47 PolarHBondContact O-N 3.01Å; I47-V49 VanDerWaalsContact C-N 3.34Å; I47-V49 PolarHBondContact O-N 3.23Å; I47-R51 VanDerWaalsContact O-CB 3.29Å; I47-R51 WeakPolarHBondContact O-CB 3.38Å; I47-R51 PolarHBondContact O-N 3.29Å |
| 48 | R | 94 | Very high | 93.5 | Very high | 181 Ų | 181 | 65.2 Ų | 65.2 | 68% | 0.683 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.9 | -41.1 | 178.5 | -176.9 | -179.8 | 178.8 | -174.8 | 1.1 | 111.4 | K46 K52 | K46-R48 VanDerWaalsContact C-N 3.27Å; K46-R48 PolarHBondContact O-N 3.41Å; R48-K52 WeakPolarHBondContact O-CB 3.11Å; R48-K52 WeakPolarHBondContact O-CG 3.4Å; R48-K52 PolarHBondContact O-N 3.35Å; R48-K52 VanDerWaalsContact O-N 3.1Å |
| 49 | V | 94.4 | Very high | 93.9 | Very high | 51 Ų | 51 | 65.4 Ų | 65.4 | 31% | 0.309 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.9 | -47.7 | -177.8 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | K46 I47 K52 S53 | K46-V49 WeakPolarHBondContact O-CA 3.37Å; K46-V49 WeakPolarHBondContact O-CB 3.27Å; K46-V49 PolarHBondContact O-N 3.3Å; I47-V49 VanDerWaalsContact C-N 3.34Å; I47-V49 PolarHBondContact O-N 3.23Å; V49-K52 PolarHBondContact O-N 2.97Å; V49-S53 WeakPolarHBondContact O-CB 3.46Å; V49-S53 PolarHBondContact O-N 3.2Å; V49-S53 PolarHBondContact O-OG 3.08Å |
| 50 | V | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.8 | -47.5 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | L24 E27 L28 L31 K46 K52 S53 I54 | L24-V50 HydrophobicContact CB-CG1 4.46Å; L24-V50 HydrophobicContact CD2-CG1 4.27Å; L24-V50 VanDerWaalsContact O-CG1 3.32Å; L24-V50 WeakPolarHBondContact O-CG1 3.32Å; E27-V50 HydrophobicContact CG-CG2 4.32Å; E27-V50 WeakPolarHBondContact OE2-CG2 3.41Å; L28-V50 HydrophobicContact CB-CG1 3.89Å; L31-V50 HydrophobicContact CD1-CB 4.42Å; L31-V50 HydrophobicContact CD1-CG2 3.79Å; K46-V50 WeakPolarHBondContact O-CG2 3.34Å; K46-V50 PolarHBondContact O-N 3.29Å; V50-K52 VanDerWaalsContact C-N 3.33Å; V50-K52 PolarHBondContact O-N 2.71Å; V50-S53 CarbonylContact O-C 3.59Å; V50-S53 WeakPolarHBondContact O-CA 3.37Å; V50-S53 WeakPolarHBondContact O-CB 3.5Å; V50-S53 PolarHBondContact O-N 3.01Å; V50-I54 HydrophobicContact CG1-CD1 4.19Å; V50-I54 HydrophobicContact CG1-CG1 4.48Å; V50-I54 PolarHBondContact O-N 3.45Å |
| 51 | R | 96.2 | Very high | 94.6 | Very high | 146 Ų | 146 | 63 Ų | 63 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -56.2 | -44.8 | 177.2 | -175.5 | 177.7 | 65.6 | 177.6 | -0.4 | 112.7 | I47 S53 A55 | I47-R51 VanDerWaalsContact O-CB 3.29Å; I47-R51 WeakPolarHBondContact O-CB 3.38Å; I47-R51 PolarHBondContact O-N 3.29Å; R51-S53 VanDerWaalsContact C-N 3.28Å; R51-S53 PolarHBondContact O-N 3.06Å; R51-A55 PolarHBondContact O-N 3.31Å |
| 52 | K | 96.6 | Very high | 94.8 | Very high | 117 Ų | 117 | 62.7 Ų | 62.7 | 51% | 0.509 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.6 | -26.9 | 176.5 | -74 | -69.1 | -172.5 | -178.8 | 0 | 112.3 | R48 V49 V50 R56 | R48-K52 WeakPolarHBondContact O-CB 3.11Å; R48-K52 WeakPolarHBondContact O-CG 3.4Å; R48-K52 PolarHBondContact O-N 3.35Å; R48-K52 VanDerWaalsContact O-N 3.1Å; V49-K52 PolarHBondContact O-N 2.97Å; V50-K52 VanDerWaalsContact C-N 3.33Å; V50-K52 PolarHBondContact O-N 2.71Å; K52-R56 WeakPolarHBondContact O-CG 3.48Å; K52-R56 PolarHBondContact O-N 3.38Å |
| 53 | S | 95.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -75.8 | -41.6 | 176.8 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | V49 V50 R51 A55 R56 V57 | V49-S53 WeakPolarHBondContact O-CB 3.46Å; V49-S53 PolarHBondContact O-N 3.2Å; V49-S53 PolarHBondContact O-OG 3.08Å; V50-S53 CarbonylContact O-C 3.59Å; V50-S53 WeakPolarHBondContact O-CA 3.37Å; V50-S53 WeakPolarHBondContact O-CB 3.5Å; V50-S53 PolarHBondContact O-N 3.01Å; R51-S53 VanDerWaalsContact C-N 3.28Å; R51-S53 PolarHBondContact O-N 3.06Å; S53-A55 VanDerWaalsContact C-N 3.3Å; S53-A55 PolarHBondContact O-N 3.22Å; S53-R56 WeakPolarHBondContact O-CB 3.46Å; S53-R56 PolarHBondContact O-N 2.76Å; S53-R56 VanDerWaalsContact O-N 3.08Å; S53-R56 PolarHBondContact OG-NH1 3.47Å; S53-V57 PolarHBondContact O-N 3.45Å |
| 54 | I | 96.3 | Very high | 95.3 | Very high | 22 Ų | 22 | 61.2 Ų | 61.2 | 11% | 0.113 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -52.6 | -49.9 | 168.6 | -69.2 | 171.4 | 0 | 0 | 0 | 110.4 | L21 L24 K25 L28 V50 R56 V57 L58 | L21-I54 HydrophobicContact CD1-CG2 3.79Å; L24-I54 HydrophobicContact CB-CD1 4.28Å; L24-I54 HydrophobicContact CB-CG1 3.63Å; L24-I54 HydrophobicContact CD1-CG1 4.34Å; K25-I54 HydrophobicContact CG-CD1 4.39Å; L28-I54 HydrophobicContact CB-CD1 4.11Å; L28-I54 HydrophobicContact CD2-CD1 3.68Å; V50-I54 HydrophobicContact CG1-CD1 4.19Å; V50-I54 HydrophobicContact CG1-CG1 4.48Å; V50-I54 PolarHBondContact O-N 3.45Å; I54-R56 VanDerWaalsContact C-N 3.28Å; I54-R56 PolarHBondContact O-N 2.99Å; I54-V57 PolarHBondContact O-N 2.97Å; I54-L58 HydrophobicContact CG2-CD1 4.04Å; I54-L58 PolarHBondContact O-N 3.34Å |
| 55 | A | 97 | Very high | 95.6 | Very high | 44 Ų | 44 | 63.5 Ų | 63.5 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.9 | -36.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R51 S53 T59 | R51-A55 PolarHBondContact O-N 3.31Å; S53-A55 VanDerWaalsContact C-N 3.3Å; S53-A55 PolarHBondContact O-N 3.22Å; A55-T59 WeakPolarHBondContact O-CB 3.44Å; A55-T59 PolarHBondContact O-N 2.93Å; A55-T59 PolarHBondContact O-OG1 3.2Å |
| 56 | R | 96 | Very high | 95.8 | Very high | 53 Ų | 53 | 63.8 Ų | 63.8 | 20% | 0.2 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.6 | -44.6 | 176.2 | -74 | 178.4 | -142.8 | 112.9 | 14 | 111.8 | I4 L9 K52 S53 I54 T59 V60 | I4-R56 WeakPolarHBondContact O-CD 3.48Å; I4-R56 PolarHBondContact O-NE 3.1Å; I4-R56 PolarHBondContact O-NH1 3.01Å; L9-R56 HydrophobicContact CD1-CB 4.32Å; K52-R56 WeakPolarHBondContact O-CG 3.48Å; K52-R56 PolarHBondContact O-N 3.38Å; S53-R56 WeakPolarHBondContact O-CB 3.46Å; S53-R56 PolarHBondContact O-N 2.76Å; S53-R56 VanDerWaalsContact O-N 3.08Å; S53-R56 PolarHBondContact OG-NH1 3.47Å; I54-R56 VanDerWaalsContact C-N 3.28Å; I54-R56 PolarHBondContact O-N 2.99Å; R56-T59 WeakPolarHBondContact O-CB 3.39Å; R56-T59 PolarHBondContact O-N 3.47Å; R56-V60 WeakPolarHBondContact O-CG2 3.49Å; R56-V60 PolarHBondContact O-N 3.45Å |
| 57 | V | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.8 | -50.4 | 177.1 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | L9 L17 L21 L24 S53 I54 T59 V60 I61 | L9-V57 HydrophobicContact CD1-CB 4.43Å; L9-V57 HydrophobicContact CD1-CG2 3.79Å; L9-V57 HydrophobicContact CD2-CG2 4.11Å; L17-V57 HydrophobicContact CB-CG1 4.34Å; L17-V57 WeakPolarHBondContact O-CG1 3.43Å; L21-V57 HydrophobicContact CB-CG1 3.99Å; L21-V57 HydrophobicContact CD1-CG1 4.44Å; L24-V57 HydrophobicContact CD1-CG2 4.01Å; S53-V57 PolarHBondContact O-N 3.45Å; I54-V57 PolarHBondContact O-N 2.97Å; V57-T59 VanDerWaalsContact C-N 3.28Å; V57-T59 PolarHBondContact O-N 3.45Å; V57-V60 PolarHBondContact O-N 3.22Å; V57-I61 HydrophobicContact CG1-CD1 3.98Å; V57-I61 WeakPolarHBondContact O-CG1 3.36Å; V57-I61 PolarHBondContact O-N 2.99Å |
| 58 | L | 97.2 | Very high | 95.9 | Very high | 87 Ų | 87 | 67.1 Ų | 67.1 | 46% | 0.455 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.6 | -39 | 175.8 | -71.3 | 173.4 | 0 | 0 | 0 | 112.7 | L21 I54 N62 | L21-L58 HydrophobicContact CD1-CD2 4.11Å; L21-L58 HydrophobicContact CD1-CG 3.97Å; L21-L58 HydrophobicContact CD2-CD2 3.62Å; L21-L58 HydrophobicContact CD2-CG 4.39Å; I54-L58 HydrophobicContact CG2-CD1 4.04Å; I54-L58 PolarHBondContact O-N 3.34Å; L58-N62 WeakPolarHBondContact O-CB 3.29Å; L58-N62 PolarHBondContact O-N 3.37Å |
| 59 | T | 97.4 | Very high | 96 | Very high | 70 Ų | 70 | 61.2 Ų | 61.2 | 43% | 0.429 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 177.4 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | A55 R56 V57 N62 Q63 | A55-T59 WeakPolarHBondContact O-CB 3.44Å; A55-T59 PolarHBondContact O-N 2.93Å; A55-T59 PolarHBondContact O-OG1 3.2Å; R56-T59 WeakPolarHBondContact O-CB 3.39Å; R56-T59 PolarHBondContact O-N 3.47Å; V57-T59 VanDerWaalsContact C-N 3.28Å; V57-T59 PolarHBondContact O-N 3.45Å; T59-N62 PolarHBondContact O-N 3.01Å; T59-Q63 HydrophobicContact CG2-CG 4.42Å; T59-Q63 WeakPolarHBondContact O-CB 3.45Å; T59-Q63 VanDerWaalsContact O-CG 3.3Å; T59-Q63 WeakPolarHBondContact O-CG 3.47Å; T59-Q63 PolarHBondContact O-N 3.01Å |
| 60 | V | 96.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 179.3 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | A6 L9 R10 L17 R56 V57 N62 Q63 T64 | A6-V60 HydrophobicContact CB-CG2 4.4Å; L9-V60 HydrophobicContact CB-CB 4.33Å; L9-V60 HydrophobicContact CB-CG1 4.11Å; L9-V60 HydrophobicContact CB-CG2 4.03Å; L9-V60 HydrophobicContact CD1-CG2 4.07Å; R10-V60 HydrophobicContact CG-CG1 4.33Å; L17-V60 HydrophobicContact CD1-CG1 4.26Å; R56-V60 WeakPolarHBondContact O-CG2 3.49Å; R56-V60 PolarHBondContact O-N 3.45Å; V57-V60 PolarHBondContact O-N 3.22Å; V60-N62 VanDerWaalsContact C-N 3.34Å; V60-N62 PolarHBondContact O-N 3.48Å; V60-Q63 PolarHBondContact O-N 3.41Å; V60-T64 PolarHBondContact O-N 3.31Å; V60-T64 PolarHBondContact O-OG1 3.17Å |
| 61 | I | 96.5 | Very high | 96.2 | Very high | 22 Ų | 22 | 71.2 Ų | 71.2 | 11% | 0.113 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.8 | -48.7 | 174.7 | -66.8 | 170.1 | 0 | 0 | 0 | 110.9 | L17 L18 V57 Q63 T64 Q65 | L17-I61 HydrophobicContact CB-CD1 3.93Å; L17-I61 HydrophobicContact CB-CG1 3.9Å; L17-I61 HydrophobicContact CD1-CG1 3.88Å; L18-I61 HydrophobicContact CD2-CD1 4.19Å; V57-I61 HydrophobicContact CG1-CD1 3.98Å; V57-I61 WeakPolarHBondContact O-CG1 3.36Å; V57-I61 PolarHBondContact O-N 2.99Å; I61-Q63 PolarHBondContact O-N 3.39Å; I61-T64 PolarHBondContact O-N 2.97Å; I61-Q65 WeakPolarHBondContact O-CB 3.38Å; I61-Q65 PolarHBondContact O-N 2.73Å |
| 62 | N | 96.5 | Very high | 96.2 | Very high | 75 Ų | 75 | 70.2 Ų | 70.2 | 40% | 0.401 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.9 | -36.8 | 179.8 | -173.6 | 23.6 | 0 | 0 | 0 | 112.5 | L58 T59 V60 K66 | L58-N62 WeakPolarHBondContact O-CB 3.29Å; L58-N62 PolarHBondContact O-N 3.37Å; T59-N62 PolarHBondContact O-N 3.01Å; V60-N62 VanDerWaalsContact C-N 3.34Å; V60-N62 PolarHBondContact O-N 3.48Å; N62-K66 WeakPolarHBondContact O-CB 3.37Å; N62-K66 WeakPolarHBondContact O-CG 3.18Å; N62-K66 PolarHBondContact O-N 3.2Å; N62-K66 WeakPolarHBondContact OD1-CE 3.46Å |
| 63 | Q | 96.1 | Very high | 96.2 | Very high | 92 Ų | 92 | 67.6 Ų | 67.6 | 43% | 0.43 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.9 | -52.5 | 174.5 | -78.7 | 177.3 | -7.5 | 0 | 0 | 111 | T59 V60 I61 Q65 K66 E67 | T59-Q63 HydrophobicContact CG2-CG 4.42Å; T59-Q63 WeakPolarHBondContact O-CB 3.45Å; T59-Q63 VanDerWaalsContact O-CG 3.3Å; T59-Q63 WeakPolarHBondContact O-CG 3.47Å; T59-Q63 PolarHBondContact O-N 3.01Å; V60-Q63 PolarHBondContact O-N 3.41Å; I61-Q63 PolarHBondContact O-N 3.39Å; Q63-Q65 PolarHBondContact O-N 2.93Å; Q63-K66 PolarHBondContact O-N 3.18Å; Q63-E67 WeakPolarHBondContact O-CB 3.37Å; Q63-E67 PolarHBondContact O-N 3.14Å |
| 64 | T | 95.3 | Very high | 96.2 | Very high | 64 Ų | 64 | 75.7 Ų | 75.7 | 39% | 0.393 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 178.6 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | V60 I61 E67 N68 | V60-T64 PolarHBondContact O-N 3.31Å; V60-T64 PolarHBondContact O-OG1 3.17Å; I61-T64 PolarHBondContact O-N 2.97Å; T64-E67 PolarHBondContact O-N 3.03Å; T64-N68 WeakPolarHBondContact O-CB 3.3Å; T64-N68 VanDerWaalsContact O-CG 3.3Å; T64-N68 PolarHBondContact O-N 2.7Å; T64-N68 PolarHBondContact O-ND2 2.93Å |
| 65 | Q | 95.1 | Very high | 96.1 | Very high | 110 Ų | 110 | 78.4 Ų | 78.4 | 51% | 0.514 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60 | -48.7 | 175.6 | -178.1 | 178.8 | -5.2 | 0 | 0 | 111.6 | I61 Q63 E67 N68 L69 | I61-Q65 WeakPolarHBondContact O-CB 3.38Å; I61-Q65 PolarHBondContact O-N 2.73Å; Q63-Q65 PolarHBondContact O-N 2.93Å; Q65-E67 VanDerWaalsContact C-N 3.33Å; Q65-E67 PolarHBondContact O-N 3.45Å; Q65-N68 PolarHBondContact O-N 2.88Å; Q65-L69 HydrophobicContact CG-CD1 4.23Å; Q65-L69 WeakPolarHBondContact O-CG 3.33Å; Q65-L69 PolarHBondContact O-N 3.17Å |
| 66 | K | 95.7 | Very high | 96.1 | Very high | 83 Ų | 83 | 80.6 Ų | 80.6 | 36% | 0.361 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.2 | -37.6 | 178.2 | -77.5 | -174.9 | 177.6 | -175.8 | 0 | 112.5 | N62 Q63 L69 R70 | N62-K66 WeakPolarHBondContact O-CB 3.37Å; N62-K66 WeakPolarHBondContact O-CG 3.18Å; N62-K66 PolarHBondContact O-N 3.2Å; N62-K66 WeakPolarHBondContact OD1-CE 3.46Å; Q63-K66 PolarHBondContact O-N 3.18Å; K66-L69 PolarHBondContact O-N 3.41Å; K66-R70 WeakPolarHBondContact O-CB 3.45Å; K66-R70 VanDerWaalsContact O-CG 3.27Å; K66-R70 WeakPolarHBondContact O-CG 3.38Å; K66-R70 PolarHBondContact O-N 2.91Å |
| 67 | E | 95.4 | Very high | 95.9 | Very high | 98 Ų | 98 | 86.4 Ų | 86.4 | 46% | 0.458 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 175.2 | -167.7 | -170.2 | 150.4 | 0 | 0 | 111.2 | Q63 T64 Q65 L69 R70 K71 | Q63-E67 WeakPolarHBondContact O-CB 3.37Å; Q63-E67 PolarHBondContact O-N 3.14Å; T64-E67 PolarHBondContact O-N 3.03Å; Q65-E67 VanDerWaalsContact C-N 3.33Å; Q65-E67 PolarHBondContact O-N 3.45Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 3.31Å; E67-R70 WeakPolarHBondContact O-CB 3.24Å; E67-R70 PolarHBondContact O-N 3.45Å; E67-R70 VanDerWaalsContact O-N 3.14Å; E67-K71 WeakPolarHBondContact O-CG 3.5Å; E67-K71 PolarHBondContact O-N 2.89Å; E67-K71 WeakPolarHBondContact OE1-CE 3.47Å; E67-K71 IonicContact OE1-NZ 3.64Å; E67-K71 PolarHBondContact OE1-NZ 3.28Å |
| 68 | N | 95.4 | Very high | 95.7 | Very high | 88 Ų | 88 | 94.3 Ų | 94.3 | 47% | 0.471 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 176.7 | -70.7 | -17.1 | 0 | 0 | 0 | 111.9 | T64 Q65 R70 K71 F72 | T64-N68 WeakPolarHBondContact O-CB 3.3Å; T64-N68 VanDerWaalsContact O-CG 3.3Å; T64-N68 PolarHBondContact O-N 2.7Å; T64-N68 PolarHBondContact O-ND2 2.93Å; Q65-N68 PolarHBondContact O-N 2.88Å; N68-R70 PolarHBondContact O-N 3.35Å; N68-K71 PolarHBondContact O-N 3.46Å; N68-F72 WeakPolarHBondContact O-CB 3.4Å; N68-F72 PolarHBondContact O-N 3.43Å |
| 69 | L | 96.3 | Very high | 95.5 | Very high | 58 Ų | 58 | 94.1 Ų | 94.1 | 30% | 0.304 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 173.2 | -70.6 | 172.5 | 0 | 0 | 0 | 111.8 | Q65 K66 E67 K71 F72 Y73 L83 | Q65-L69 HydrophobicContact CG-CD1 4.23Å; Q65-L69 WeakPolarHBondContact O-CG 3.33Å; Q65-L69 PolarHBondContact O-N 3.17Å; K66-L69 PolarHBondContact O-N 3.41Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 3.31Å; L69-K71 VanDerWaalsContact C-N 3.33Å; L69-K71 PolarHBondContact O-N 3.26Å; L69-F72 PolarHBondContact O-N 2.93Å; L69-Y73 HydrophobicContact CD2-CE2 4.3Å; L69-Y73 WeakPolarHBondContact O-CB 3.46Å; L69-Y73 VanDerWaalsContact O-CD2 3.31Å; L69-Y73 WeakPolarHBondContact O-CD2 3.31Å; L69-Y73 PolarHBondContact O-N 3.33Å; L69-L83 HydrophobicContact CB-CD1 3.97Å; L69-L83 HydrophobicContact CB-CD2 4.48Å |
| 70 | R | 96.3 | Very high | 95.5 | Very high | 136 Ų | 136 | 92.8 Ų | 92.8 | 51% | 0.513 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 175.1 | -74.1 | 178.7 | -171.1 | -68.1 | -2.8 | 112.3 | K66 E67 N68 K74 L83 | K66-R70 WeakPolarHBondContact O-CB 3.45Å; K66-R70 VanDerWaalsContact O-CG 3.27Å; K66-R70 WeakPolarHBondContact O-CG 3.38Å; K66-R70 PolarHBondContact O-N 2.91Å; E67-R70 WeakPolarHBondContact O-CB 3.24Å; E67-R70 PolarHBondContact O-N 3.45Å; E67-R70 VanDerWaalsContact O-N 3.14Å; N68-R70 PolarHBondContact O-N 3.35Å; R70-K74 PolarHBondContact O-N 3.08Å; R70-K74 VanDerWaalsContact O-N 3.11Å; R70-L83 HydrophobicContact CG-CD2 4.02Å; R70-L83 PolarHBondContact NH1-O 2.9Å |
| 71 | K | 96.5 | Very high | 95.4 | Very high | 124 Ų | 124 | 98.8 Ų | 98.8 | 54% | 0.539 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64 | -49.6 | 173.7 | -70.4 | 173.5 | -176.3 | 166.3 | 0 | 110.7 | E67 N68 L69 Y73 K74 | E67-K71 WeakPolarHBondContact O-CG 3.5Å; E67-K71 PolarHBondContact O-N 2.89Å; E67-K71 WeakPolarHBondContact OE1-CE 3.47Å; E67-K71 IonicContact OE1-NZ 3.64Å; E67-K71 PolarHBondContact OE1-NZ 3.28Å; N68-K71 PolarHBondContact O-N 3.46Å; L69-K71 VanDerWaalsContact C-N 3.33Å; L69-K71 PolarHBondContact O-N 3.26Å; K71-Y73 PolarHBondContact O-N 3.49Å; K71-K74 VanDerWaalsContact O-CB 3.24Å; K71-K74 WeakPolarHBondContact O-CB 3.27Å; K71-K74 PolarHBondContact O-N 2.9Å; K71-K74 VanDerWaalsContact O-N 3.17Å |
| 72 | F | 96.1 | Very high | 95.2 | Very high | 125 Ų | 125 | 101.6 Ų | 101.6 | 55% | 0.548 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.3 | -38.3 | 179.7 | 178.6 | -99.3 | 0 | 0 | 0 | 114 | N68 L69 K76 | N68-F72 WeakPolarHBondContact O-CB 3.4Å; N68-F72 PolarHBondContact O-N 3.43Å; L69-F72 PolarHBondContact O-N 2.93Å; F72-K76 WeakPolarHBondContact O-CE 3.16Å; F72-K76 PolarHBondContact O-NZ 3.19Å |
| 73 | Y | 96.9 | Very high | 95.1 | Very high | 62 Ų | 62 | 98.4 Ų | 98.4 | 24% | 0.243 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 9 | 177.8 | -74.6 | -76.7 | 0 | 0 | 0 | 113.5 | L69 K71 G75 K76 K79 P80 L83 | L69-Y73 HydrophobicContact CD2-CE2 4.3Å; L69-Y73 WeakPolarHBondContact O-CB 3.46Å; L69-Y73 VanDerWaalsContact O-CD2 3.31Å; L69-Y73 WeakPolarHBondContact O-CD2 3.31Å; L69-Y73 PolarHBondContact O-N 3.33Å; K71-Y73 PolarHBondContact O-N 3.49Å; Y73-G75 PolarHBondContact O-N 3.39Å; Y73-K76 HydrophobicContact CD1-CB 4.37Å; Y73-K76 HydrophobicContact CD1-CD 4.03Å; Y73-K76 PolarHBondContact O-N 3.42Å; Y73-K79 WeakPolarHBondContact O-CE 3.16Å; Y73-P80 HydrophobicContact CD2-CG 4.17Å; Y73-P80 HydrophobicContact CE1-CG 4.16Å; Y73-P80 HydrophobicContact CE2-CG 3.69Å; Y73-L83 HydrophobicContact CD2-CD1 3.82Å; Y73-L83 HydrophobicContact CG-CD1 4.39Å |
| 74 | K | 95.4 | Very high | 95 | Very high | 174 Ų | 174 | 99 Ų | 99 | 76% | 0.757 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 133.2 | 172.7 | -166.2 | 178.3 | 178.5 | -173.9 | 0 | 108.6 | R70 K71 K76 | R70-K74 PolarHBondContact O-N 3.08Å; R70-K74 VanDerWaalsContact O-N 3.11Å; K71-K74 VanDerWaalsContact O-CB 3.24Å; K71-K74 WeakPolarHBondContact O-CB 3.27Å; K71-K74 PolarHBondContact O-N 2.9Å; K71-K74 VanDerWaalsContact O-N 3.17Å; K74-K76 PolarHBondContact O-N 3.11Å; K74-K76 VanDerWaalsContact O-N 3.08Å |
| 75 | G | 94.6 | Very high | 94.9 | Very high | 78 Ų | 78 | 100.7 Ų | 100.7 | 80% | 0.804 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | -21 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | Y73 | Y73-G75 PolarHBondContact O-N 3.39Š|
| 76 | K | 96 | Very high | 94.9 | Very high | 91 Ų | 91 | 105.4 Ų | 105.4 | 40% | 0.396 | 50% | 0.501 | S | S | . | . | trans | -71.8 | 137 | -179.9 | -59.9 | -174.4 | -177.2 | 175 | 0 | 112 | F72 Y73 K74 | F72-K76 WeakPolarHBondContact O-CE 3.16Å; F72-K76 PolarHBondContact O-NZ 3.19Å; Y73-K76 HydrophobicContact CD1-CB 4.37Å; Y73-K76 HydrophobicContact CD1-CD 4.03Å; Y73-K76 PolarHBondContact O-N 3.42Å; K74-K76 PolarHBondContact O-N 3.11Å; K74-K76 VanDerWaalsContact O-N 3.08Å | ||
| 77 | K | 92.3 | Very high | 94.9 | Very high | 174 Ų | 174 | 107.6 Ų | 107.6 | 76% | 0.757 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -63.2 | -41.5 | -177.4 | -173.4 | 176.1 | -179.3 | -175.6 | 0 | 113.2 | ||
| 78 | Y | 92.8 | Very high | 95 | Very high | 167 Ų | 167 | 106.8 Ų | 106.8 | 66% | 0.655 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -108.2 | 81.8 | -174.1 | -58.2 | -64.4 | 0 | 0 | 0 | 111.9 | ||
| 79 | K | 93.6 | Very high | 95 | Very high | 83 Ų | 83 | 110.2 Ų | 110.2 | 36% | 0.361 | 52% | 0.519 | S | S | . | . | trans | -77.5 | 143.1 | 173.6 | -52 | -171.4 | -171 | -177.2 | 0 | 110.8 | Y73 R84 | Y73-K79 WeakPolarHBondContact O-CE 3.16Å; K79-R84 PolarHBondContact O-NE 3.13Å; K79-R84 PolarHBondContact O-NH2 3.45Å; K79-R84 VanDerWaalsContact O-NH2 3.08Å | ||
| 80 | P | 95.9 | Very high | 95 | Very high | 42 Ų | 42 | 111.1 Ų | 111.1 | 27% | 0.273 | 54% | 0.535 | S | S | . | . | trans | -48.1 | 145.9 | 167.2 | -31.5 | 37.4 | 0 | 0 | 0 | 113 | Y73 D82 L83 R84 | Y73-P80 HydrophobicContact CD2-CG 4.17Å; Y73-P80 HydrophobicContact CE1-CG 4.16Å; Y73-P80 HydrophobicContact CE2-CG 3.69Å; P80-D82 VanDerWaalsContact C-N 3.27Å; P80-D82 WeakPolarHBondContact CB-OD1 3.04Å; P80-D82 PolarHBondContact O-N 3.29Å; P80-L83 HydrophobicContact CB-CD1 4.43Å; P80-L83 HydrophobicContact CB-CG 4.39Å; P80-L83 HydrophobicContact CG-CD1 4.29Å; P80-L83 PolarHBondContact O-N 3.08Å; P80-L83 VanDerWaalsContact O-N 3.13Å; P80-R84 PolarHBondContact O-N 3.42Å | ||
| 81 | L | 94.9 | Very high | 95 | Very high | 128 Ų | 128 | 110.6 Ų | 110.6 | 67% | 0.67 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -59.8 | -35.3 | -173.1 | -69.9 | 174.2 | 0 | 0 | 0 | 113.2 | L83 R84 | L81-L83 VanDerWaalsContact C-N 3.3Å; L81-L83 PolarHBondContact O-N 2.96Å; L81-R84 PolarHBondContact O-N 3.36Å |
| 82 | D | 93 | Very high | 94.9 | Very high | 82 Ų | 82 | 111.6 Ų | 111.6 | 44% | 0.439 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -68.5 | -25.2 | 179.2 | 67.7 | -49.8 | 0 | 0 | 0 | 113.6 | P80 | P80-D82 VanDerWaalsContact C-N 3.27Å; P80-D82 WeakPolarHBondContact CB-OD1 3.04Å; P80-D82 PolarHBondContact O-N 3.29Å |
| 83 | L | 94.5 | Very high | 94.9 | Very high | 8 Ų | 8 | 114.2 Ų | 114.2 | 4% | 0.042 | 55% | 0.546 | C | S | . | . | G | 310 helix | trans | -88.7 | -16.8 | 177.6 | -61 | -176.7 | 0 | 0 | 0 | 113.3 | L69 R70 Y73 P80 L81 | L69-L83 HydrophobicContact CB-CD1 3.97Å; L69-L83 HydrophobicContact CB-CD2 4.48Å; R70-L83 HydrophobicContact CG-CD2 4.02Å; R70-L83 PolarHBondContact NH1-O 2.9Å; Y73-L83 HydrophobicContact CD2-CD1 3.82Å; Y73-L83 HydrophobicContact CG-CD1 4.39Å; P80-L83 HydrophobicContact CB-CD1 4.43Å; P80-L83 HydrophobicContact CB-CG 4.39Å; P80-L83 HydrophobicContact CG-CD1 4.29Å; P80-L83 PolarHBondContact O-N 3.08Å; P80-L83 VanDerWaalsContact O-N 3.13Å; L81-L83 VanDerWaalsContact C-N 3.3Å; L81-L83 PolarHBondContact O-N 2.96Å |
| 84 | R | 92.7 | Very high | 94.8 | Very high | 105 Ų | 105 | 119.1 Ų | 119.1 | 40% | 0.396 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -66.8 | 150.5 | 179.1 | -64.7 | -179.6 | -169.6 | -175.3 | 3.2 | 110.8 | K79 P80 L81 K86 | K79-R84 PolarHBondContact O-NE 3.13Å; K79-R84 PolarHBondContact O-NH2 3.45Å; K79-R84 VanDerWaalsContact O-NH2 3.08Å; P80-R84 PolarHBondContact O-N 3.42Å; L81-R84 PolarHBondContact O-N 3.36Å; R84-K86 PolarHBondContact O-N 3.28Å |
| 85 | P | 93.7 | Very high | 94.9 | Very high | 98 Ų | 98 | 116 Ų | 116 | 64% | 0.636 | 56% | 0.555 | S | S | * | * | trans | -56.4 | 128.4 | 172.3 | -24.2 | 34.3 | 0 | 0 | 0 | 111.2 | K87 | P85-K87 VanDerWaalsContact C-N 3.35Å; P85-K87 HydrophobicContact CB-CG 4.43Å; P85-K87 PolarHBondContact O-N 2.98Å | ||
| 86 | K | 94.8 | Very high | 94.9 | Very high | 209 Ų | 209 | 115.9 Ų | 115.9 | 91% | 0.909 | 54% | 0.537 | S | S | * | . | trans | -77.8 | 83.5 | 177.5 | -67.5 | -171.7 | 176.3 | -172.1 | 0 | 110.1 | R84 | R84-K86 PolarHBondContact O-N 3.28Š| ||
| 87 | K | 95.7 | Very high | 94.9 | Very high | 129 Ų | 129 | 119.4 Ų | 119.4 | 56% | 0.561 | 55% | 0.552 | S | S | * | * | trans | -104.4 | 162.8 | 172 | -62.5 | -176.1 | 179.3 | -175.3 | 0 | 110.5 | P85 M91 R92 | P85-K87 VanDerWaalsContact C-N 3.35Å; P85-K87 HydrophobicContact CB-CG 4.43Å; P85-K87 PolarHBondContact O-N 2.98Å; K87-M91 HydrophobicContact CB-CB 4.11Å; K87-M91 HydrophobicContact CD-CB 4.44Å; K87-R92 HydrophobicContact CB-CG 4.03Å | ||
| 88 | T | 97 | Very high | 95.1 | Very high | 81 Ų | 81 | 117.4 Ų | 117.4 | 50% | 0.497 | 55% | 0.545 | S | S | . | . | trans | -61.3 | 154.5 | 171.1 | 67.2 | 0 | 0 | 0 | 0 | 110.8 | A90 M91 R92 | T88-A90 VanDerWaalsContact C-N 3.25Å; T88-A90 PolarHBondContact O-N 3.21Å; T88-M91 PolarHBondContact O-N 3.13Å; T88-M91 WeakPolarHBondContact OG1-CB 3.45Å; T88-M91 VanDerWaalsContact OG1-CG 3.27Å; T88-M91 WeakPolarHBondContact OG1-CG 3.34Å; T88-M91 PolarHBondContact OG1-N 3.18Å; T88-R92 PolarHBondContact O-N 3.1Å; T88-R92 VanDerWaalsContact O-N 3.08Å | ||
| 89 | R | 96.1 | Very high | 95.3 | Very high | 161 Ų | 161 | 113.4 Ų | 113.4 | 61% | 0.608 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -56.9 | -41 | 178.4 | -176.4 | 178 | -177.3 | 164.6 | 0.8 | 111.7 | R92 R93 | R89-R92 PolarHBondContact O-N 3.29Å; R89-R93 PolarHBondContact O-N 3.08Å |
| 90 | A | 97.3 | Very high | 95.4 | Very high | 77 Ų | 77 | 114.3 Ų | 114.3 | 64% | 0.636 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.2 | -50.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T88 R92 R93 R94 | T88-A90 VanDerWaalsContact C-N 3.25Å; T88-A90 PolarHBondContact O-N 3.21Å; A90-R92 VanDerWaalsContact C-N 3.27Å; A90-R92 PolarHBondContact O-N 3.26Å; A90-R93 PolarHBondContact O-N 3.33Å; A90-R93 VanDerWaalsContact O-N 3.1Å; A90-R94 PolarHBondContact O-N 3.22Å |
| 91 | M | 96 | Very high | 95.4 | Very high | 125 Ų | 125 | 116.9 Ų | 116.9 | 62% | 0.616 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.2 | -28.5 | 178.1 | -72.7 | 177.7 | -178.8 | 0 | 0 | 113.9 | K87 T88 | K87-M91 HydrophobicContact CB-CB 4.11Å; K87-M91 HydrophobicContact CD-CB 4.44Å; T88-M91 PolarHBondContact O-N 3.13Å; T88-M91 WeakPolarHBondContact OG1-CB 3.45Å; T88-M91 VanDerWaalsContact OG1-CG 3.27Å; T88-M91 WeakPolarHBondContact OG1-CG 3.34Å; T88-M91 PolarHBondContact OG1-N 3.18Å |
| 92 | R | 94.1 | Very high | 95.5 | Very high | 145 Ų | 145 | 116.2 Ų | 116.2 | 55% | 0.547 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -75.9 | -26.9 | 175.2 | -71.7 | -168 | -66.7 | 151.3 | -1 | 113.4 | K87 T88 R89 A90 | K87-R92 HydrophobicContact CB-CG 4.03Å; T88-R92 PolarHBondContact O-N 3.1Å; T88-R92 VanDerWaalsContact O-N 3.08Å; R89-R92 PolarHBondContact O-N 3.29Å; A90-R92 VanDerWaalsContact C-N 3.27Å; A90-R92 PolarHBondContact O-N 3.26Å |
| 93 | R | 95.2 | Very high | 95.6 | Very high | 179 Ų | 179 | 116.7 Ų | 116.7 | 68% | 0.675 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -92 | -20.6 | -177.5 | -76.6 | -175 | 166 | -168.8 | -10.7 | 113.6 | R89 A90 | R89-R93 PolarHBondContact O-N 3.08Å; A90-R93 PolarHBondContact O-N 3.33Å; A90-R93 VanDerWaalsContact O-N 3.1Å |
| 94 | R | 95.9 | Very high | 95.8 | Very high | 165 Ų | 165 | 120.9 Ų | 120.9 | 62% | 0.623 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -55.7 | 143.3 | 172.9 | -174.2 | -178 | 172.7 | 163.1 | 2.2 | 109.9 | A90 E100 | A90-R94 PolarHBondContact O-N 3.22Å; R94-E100 IonicContact CZ-OE1 2.83Å; R94-E100 IonicContact CZ-OE2 2.96Å; R94-E100 IonicContact NE-OE2 3.9Å; R94-E100 VanDerWaalsContact NH2-CD 3.32Å; R94-E100 IonicContact NH2-OE1 2.64Å; R94-E100 PolarHBondContact NH2-OE1 2.96Å; R94-E100 IonicContact NH2-OE2 3.53Å; R94-E100 PolarHBondContact NH2-OE2 2.83Å |
| 95 | L | 96.3 | Very high | 96 | Very high | 108 Ų | 108 | 124.8 Ų | 124.8 | 57% | 0.565 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 149.1 | 170.8 | -67.1 | 175.7 | 0 | 0 | 0 | 111.2 | E99 | L95-E99 WeakPolarHBondContact CA-OE2 3.48Å; L95-E99 HydrophobicContact CB-CB 4.04Å; L95-E99 HydrophobicContact CD2-CB 4.23Å; L95-E99 WeakPolarHBondContact CD2-OE2 3.44Å |
| 96 | N | 95.3 | Very high | 96.2 | Very high | 76 Ų | 76 | 128.8 Ų | 128.8 | 41% | 0.406 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -70.8 | 158.8 | 172.4 | 74.9 | 48.6 | 0 | 0 | 0 | 110 | H98 E99 E100 | N96-H98 PolarHBondContact O-N 3.17Å; N96-H98 VanDerWaalsContact O-N 3.12Å; N96-H98 WeakPolarHBondContact OD1-CA 3.48Å; N96-H98 VanDerWaalsContact OD1-CB 3.25Å; N96-H98 WeakPolarHBondContact OD1-CB 3.5Å; N96-H98 PolarHBondContact OD1-N 3.14Å; N96-E99 VanDerWaalsContact CG-CD 3.44Å; N96-E99 VanDerWaalsContact CG-OE2 3.3Å; N96-E99 PolarHBondContact N-OE2 3.31Å; N96-E99 WeakPolarHBondContact ND2-CG 3.38Å; N96-E99 PolarHBondContact ND2-OE1 3.12Å; N96-E99 VanDerWaalsContact ND2-OE1 3.13Å; N96-E99 PolarHBondContact ND2-OE2 2.72Å; N96-E99 PolarHBondContact O-N 2.97Å; N96-E99 WeakPolarHBondContact OD1-CG 3.46Å; N96-E99 PolarHBondContact OD1-N 3.07Å; N96-E100 PolarHBondContact O-N 2.92Å |
| 97 | K | 96.3 | Very high | 96.3 | Very high | 165 Ų | 165 | 122.4 Ų | 122.4 | 72% | 0.717 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -58.8 | -28.4 | -178.1 | -177 | 174.6 | 179.8 | -177.4 | 0 | 112.4 | N101 | K97-N101 WeakPolarHBondContact CG-ND2 3.27Å; K97-N101 WeakPolarHBondContact O-CB 3.36Å; K97-N101 VanDerWaalsContact O-CG 3.3Å; K97-N101 PolarHBondContact O-N 3.26Å; K97-N101 PolarHBondContact O-ND2 2.78Å |
| 98 | H | 96.7 | Very high | 96.3 | Very high | 132 Ų | 132 | 121.3 Ų | 121.3 | 61% | 0.611 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70.9 | -49.3 | 177.6 | 171.1 | 74.1 | 0 | 0 | 0 | 110.9 | N96 E100 N101 L102 | N96-H98 PolarHBondContact O-N 3.17Å; N96-H98 VanDerWaalsContact O-N 3.12Å; N96-H98 WeakPolarHBondContact OD1-CA 3.48Å; N96-H98 VanDerWaalsContact OD1-CB 3.25Å; N96-H98 WeakPolarHBondContact OD1-CB 3.5Å; N96-H98 PolarHBondContact OD1-N 3.14Å; H98-E100 VanDerWaalsContact C-N 3.35Å; H98-E100 PolarHBondContact O-N 3.09Å; H98-N101 CarbonylContact O-C 3.53Å; H98-N101 PolarHBondContact O-N 3.45Å; H98-N101 VanDerWaalsContact O-N 3.09Å; H98-L102 WeakPolarHBondContact O-CG 3.25Å; H98-L102 PolarHBondContact O-N 2.84Å; H98-L102 VanDerWaalsContact O-N 3.14Å |
| 99 | E | 96.4 | Very high | 96.3 | Very high | 84 Ų | 84 | 125.3 Ų | 125.3 | 39% | 0.393 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -57.2 | -45.3 | 175.1 | -71.9 | 163.4 | 171.5 | 0 | 0 | 111.7 | L95 N96 N101 L102 | L95-E99 WeakPolarHBondContact CA-OE2 3.48Å; L95-E99 HydrophobicContact CB-CB 4.04Å; L95-E99 HydrophobicContact CD2-CB 4.23Å; L95-E99 WeakPolarHBondContact CD2-OE2 3.44Å; N96-E99 VanDerWaalsContact CG-CD 3.44Å; N96-E99 VanDerWaalsContact CG-OE2 3.3Å; N96-E99 PolarHBondContact N-OE2 3.31Å; N96-E99 WeakPolarHBondContact ND2-CG 3.38Å; N96-E99 PolarHBondContact ND2-OE1 3.12Å; N96-E99 VanDerWaalsContact ND2-OE1 3.13Å; N96-E99 PolarHBondContact ND2-OE2 2.72Å; N96-E99 PolarHBondContact O-N 2.97Å; N96-E99 WeakPolarHBondContact OD1-CG 3.46Å; N96-E99 PolarHBondContact OD1-N 3.07Å; E99-N101 PolarHBondContact O-N 2.92Å; E99-L102 WeakPolarHBondContact O-CB 3.49Å; E99-L102 PolarHBondContact O-N 3.19Å |
| 100 | E | 95.9 | Very high | 96.4 | Very high | 102 Ų | 102 | 123.7 Ų | 123.7 | 48% | 0.477 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.3 | -29.4 | 177.4 | -173.4 | 172.3 | -171.5 | 0 | 0 | 112.5 | R94 N96 H98 | R94-E100 IonicContact CZ-OE1 2.83Å; R94-E100 IonicContact CZ-OE2 2.96Å; R94-E100 IonicContact NE-OE2 3.9Å; R94-E100 VanDerWaalsContact NH2-CD 3.32Å; R94-E100 IonicContact NH2-OE1 2.64Å; R94-E100 PolarHBondContact NH2-OE1 2.96Å; R94-E100 IonicContact NH2-OE2 3.53Å; R94-E100 PolarHBondContact NH2-OE2 2.83Å; N96-E100 PolarHBondContact O-N 2.92Å; H98-E100 VanDerWaalsContact C-N 3.35Å; H98-E100 PolarHBondContact O-N 3.09Å |
| 101 | N | 96.1 | Very high | 96.3 | Very high | 95 Ų | 95 | 123.4 Ų | 123.4 | 51% | 0.508 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.7 | 1.8 | 179.9 | -73.2 | -49.3 | 0 | 0 | 0 | 113.7 | K97 H98 E99 K103 | K97-N101 WeakPolarHBondContact CG-ND2 3.27Å; K97-N101 WeakPolarHBondContact O-CB 3.36Å; K97-N101 VanDerWaalsContact O-CG 3.3Å; K97-N101 PolarHBondContact O-N 3.26Å; K97-N101 PolarHBondContact O-ND2 2.78Å; H98-N101 CarbonylContact O-C 3.53Å; H98-N101 PolarHBondContact O-N 3.45Å; H98-N101 VanDerWaalsContact O-N 3.09Å; E99-N101 PolarHBondContact O-N 2.92Å; N101-K103 PolarHBondContact O-N 3.2Å |
| 102 | L | 95.9 | Very high | 96.2 | Very high | 115 Ų | 115 | 126.7 Ų | 126.7 | 60% | 0.602 | 56% | 0.562 | S | S | * | * | trans | -66.2 | 119.5 | 177.5 | -75.4 | 175.5 | 0 | 0 | 0 | 109.8 | H98 E99 | H98-L102 WeakPolarHBondContact O-CG 3.25Å; H98-L102 PolarHBondContact O-N 2.84Å; H98-L102 VanDerWaalsContact O-N 3.14Å; E99-L102 WeakPolarHBondContact O-CB 3.49Å; E99-L102 PolarHBondContact O-N 3.19Å | ||
| 103 | K | 96.3 | Very high | 96.4 | Very high | 91 Ų | 91 | 123.9 Ų | 123.9 | 40% | 0.396 | 56% | 0.558 | S | S | . | * | trans | -113.3 | 143.3 | 176.8 | -62.1 | -177.4 | -171.4 | -170.4 | 0 | 109.8 | N101 Q107 Q108 E111 | N101-K103 PolarHBondContact O-N 3.2Å; K103-Q107 HydrophobicContact CB-CB 4.3Å; K103-Q107 HydrophobicContact CB-CG 4.23Å; K103-Q107 HydrophobicContact CD-CG 4.19Å; K103-Q107 HydrophobicContact CG-CG 4.44Å; K103-Q108 HydrophobicContact CB-CG 3.87Å; K103-Q108 PolarHBondContact O-NE2 3.38Å; K103-E111 WeakPolarHBondContact CD-OE1 3.4Å; K103-E111 VanDerWaalsContact CD-OE2 3.22Å; K103-E111 WeakPolarHBondContact CD-OE2 3.44Å; K103-E111 WeakPolarHBondContact CE-OE1 3.22Å; K103-E111 IonicContact NZ-OE1 2.85Å; K103-E111 PolarHBondContact NZ-OE1 3.29Å; K103-E111 IonicContact NZ-OE2 2.72Å; K103-E111 PolarHBondContact NZ-OE2 2.87Å | ||
| 104 | T | 97.5 | Very high | 96.4 | Very high | 97 Ų | 97 | 123.7 Ų | 123.7 | 60% | 0.595 | 56% | 0.558 | S | S | * | * | trans | -62.3 | 152 | 173.8 | 65.7 | 0 | 0 | 0 | 0 | 110.7 | K106 Q107 Q108 | T104-K106 PolarHBondContact O-N 3.07Å; T104-K106 VanDerWaalsContact O-N 3.15Å; T104-Q107 PolarHBondContact O-N 2.64Å; T104-Q107 WeakPolarHBondContact OG1-CB 3.47Å; T104-Q107 PolarHBondContact OG1-N 2.72Å; T104-Q108 WeakPolarHBondContact O-CG 3.49Å; T104-Q108 PolarHBondContact O-N 3.01Å | ||
| 105 | K | 97.1 | Very high | 96.4 | Very high | 187 Ų | 187 | 119.2 Ų | 119.2 | 81% | 0.813 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -54.4 | -35.4 | 176.8 | -68.9 | -174.4 | 178.4 | -179.6 | 0 | 112.2 | R109 | K105-R109 WeakPolarHBondContact O-CB 3.37Å; K105-R109 PolarHBondContact O-N 2.92Å |
| 106 | K | 97.8 | Very high | 96.3 | Very high | 182 Ų | 182 | 122.8 Ų | 122.8 | 79% | 0.791 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.3 | -47.6 | 174.6 | -175.5 | 178.3 | -180 | 178.5 | 0 | 111.8 | T104 R109 K110 | T104-K106 PolarHBondContact O-N 3.07Å; T104-K106 VanDerWaalsContact O-N 3.15Å; K106-R109 PolarHBondContact O-N 3Å; K106-K110 PolarHBondContact O-N 3.27Å |
| 107 | Q | 96.6 | Very high | 96.2 | Very high | 75 Ų | 75 | 128.7 Ų | 128.7 | 35% | 0.35 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.3 | -44.2 | 177.7 | -177.8 | 62.8 | 19.5 | 0 | 0 | 111.6 | K103 T104 R109 K110 E111 | K103-Q107 HydrophobicContact CB-CB 4.3Å; K103-Q107 HydrophobicContact CB-CG 4.23Å; K103-Q107 HydrophobicContact CD-CG 4.19Å; K103-Q107 HydrophobicContact CG-CG 4.44Å; T104-Q107 PolarHBondContact O-N 2.64Å; T104-Q107 WeakPolarHBondContact OG1-CB 3.47Å; T104-Q107 PolarHBondContact OG1-N 2.72Å; Q107-R109 VanDerWaalsContact C-N 3.32Å; Q107-R109 PolarHBondContact O-N 3.15Å; Q107-K110 PolarHBondContact O-N 3Å; Q107-K110 VanDerWaalsContact O-N 3.13Å; Q107-E111 HydrophobicContact CG-CG 4.46Å; Q107-E111 PolarHBondContact NE2-OE1 2.93Å; Q107-E111 WeakPolarHBondContact O-CG 3.48Å; Q107-E111 PolarHBondContact O-N 3.4Å |
| 108 | Q | 96.6 | Very high | 96.2 | Very high | 106 Ų | 106 | 131 Ų | 131 | 50% | 0.495 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -57.5 | -44 | 175.8 | -66.5 | 177.8 | 15.3 | 0 | 0 | 111.7 | K103 T104 R112 | K103-Q108 HydrophobicContact CB-CG 3.87Å; K103-Q108 PolarHBondContact O-NE2 3.38Å; T104-Q108 WeakPolarHBondContact O-CG 3.49Å; T104-Q108 PolarHBondContact O-N 3.01Å; Q108-R112 WeakPolarHBondContact O-CB 3.45Å; Q108-R112 PolarHBondContact O-N 3.41Å |
| 109 | R | 97.1 | Very high | 96.1 | Very high | 164 Ų | 164 | 134.3 Ų | 134.3 | 62% | 0.619 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.6 | -44.5 | 174.7 | -177.6 | 178.8 | 176.9 | -180 | -0.1 | 111.7 | K105 K106 Q107 R112 L113 | K105-R109 WeakPolarHBondContact O-CB 3.37Å; K105-R109 PolarHBondContact O-N 2.92Å; K106-R109 PolarHBondContact O-N 3Å; Q107-R109 VanDerWaalsContact C-N 3.32Å; Q107-R109 PolarHBondContact O-N 3.15Å; R109-R112 PolarHBondContact O-N 2.87Å; R109-L113 HydrophobicContact CG-CD1 3.88Å; R109-L113 HydrophobicContact CG-CG 4.4Å; R109-L113 WeakPolarHBondContact O-CB 3.3Å; R109-L113 VanDerWaalsContact O-CG 3.3Å; R109-L113 WeakPolarHBondContact O-CG 3.43Å; R109-L113 PolarHBondContact O-N 3.13Å |
| 110 | K | 97.3 | Very high | 96.1 | Very high | 127 Ų | 127 | 134.9 Ų | 134.9 | 55% | 0.552 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -61.2 | -47.4 | 179.3 | -175 | 179.8 | 179.1 | -179.7 | 0 | 111.8 | K106 Q107 R112 L113 Y114 | K106-K110 PolarHBondContact O-N 3.27Å; Q107-K110 PolarHBondContact O-N 3Å; Q107-K110 VanDerWaalsContact O-N 3.13Å; K110-R112 VanDerWaalsContact C-N 3.33Å; K110-R112 PolarHBondContact O-N 3.02Å; K110-L113 PolarHBondContact O-N 3.21Å; K110-Y114 HydrophobicContact CG-CD2 4.22Å; K110-Y114 PolarHBondContact O-N 3.46Å |
| 111 | E | 95.6 | Very high | 95.9 | Very high | 71 Ų | 71 | 136.2 Ų | 136.2 | 33% | 0.332 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -64.9 | -36.4 | 179.2 | -70.1 | 176 | 177.9 | 0 | 0 | 112.6 | K103 Q107 Y114 | K103-E111 WeakPolarHBondContact CD-OE1 3.4Å; K103-E111 VanDerWaalsContact CD-OE2 3.22Å; K103-E111 WeakPolarHBondContact CD-OE2 3.44Å; K103-E111 WeakPolarHBondContact CE-OE1 3.22Å; K103-E111 IonicContact NZ-OE1 2.85Å; K103-E111 PolarHBondContact NZ-OE1 3.29Å; K103-E111 IonicContact NZ-OE2 2.72Å; K103-E111 PolarHBondContact NZ-OE2 2.87Å; Q107-E111 HydrophobicContact CG-CG 4.46Å; Q107-E111 PolarHBondContact NE2-OE1 2.93Å; Q107-E111 WeakPolarHBondContact O-CG 3.48Å; Q107-E111 PolarHBondContact O-N 3.4Å; E111-Y114 CarbonylContact O-C 3.56Å |
| 112 | R | 95.1 | Very high | 95.6 | Very high | 194 Ų | 194 | 141.1 Ų | 141.1 | 73% | 0.732 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66.6 | -40.5 | 174.2 | -174.6 | 179.2 | 64.5 | -177.5 | 1.9 | 112.3 | Q108 R109 K110 | Q108-R112 WeakPolarHBondContact O-CB 3.45Å; Q108-R112 PolarHBondContact O-N 3.41Å; R109-R112 PolarHBondContact O-N 2.87Å; K110-R112 VanDerWaalsContact C-N 3.33Å; K110-R112 PolarHBondContact O-N 3.02Å |
| 113 | L | 97.1 | Very high | 95.1 | Very high | 87 Ų | 87 | 143.5 Ų | 143.5 | 46% | 0.455 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -74.6 | -38.2 | -179.9 | -71.6 | 173.3 | 0 | 0 | 0 | 112.4 | R109 K110 P115 | R109-L113 HydrophobicContact CG-CD1 3.88Å; R109-L113 HydrophobicContact CG-CG 4.4Å; R109-L113 WeakPolarHBondContact O-CB 3.3Å; R109-L113 VanDerWaalsContact O-CG 3.3Å; R109-L113 WeakPolarHBondContact O-CG 3.43Å; R109-L113 PolarHBondContact O-N 3.13Å; K110-L113 PolarHBondContact O-N 3.21Å; L113-P115 VanDerWaalsContact C-CD 3.47Å; L113-P115 WeakPolarHBondContact O-CD 3.42Å |
| 114 | Y | 95.9 | Very high | 95 | Very high | 174 Ų | 174 | 146.1 Ų | 146.1 | 68% | 0.682 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -126.7 | 69.1 | -173.9 | -52.3 | -74.1 | 0 | 0 | 0 | 111.1 | K110 E111 | K110-Y114 HydrophobicContact CG-CD2 4.22Å; K110-Y114 PolarHBondContact O-N 3.46Å; E111-Y114 CarbonylContact O-C 3.56Å |
| 115 | P | 96 | Very high | 94.9 | Very high | 72 Ų | 72 | 148.7 Ų | 148.7 | 47% | 0.468 | 71% | 0.712 | S | S | . | * | trans | -63.9 | 142.6 | 171.5 | 28.3 | -34.2 | 0 | 0 | 0 | 109.7 | L113 R117 | L113-P115 VanDerWaalsContact C-CD 3.47Å; L113-P115 WeakPolarHBondContact O-CD 3.42Å; P115-R117 WeakPolarHBondContact O-CG 3.42Å; P115-R117 PolarHBondContact O-N 2.99Å | ||
| 116 | L | 93.6 | Very high | 94.8 | Very high | 183 Ų | 183 | 146.6 Ų | 146.6 | 96% | 0.958 | 71% | 0.706 | S | S | * | * | trans | -59.8 | 107.9 | 170.5 | -92.1 | 148.5 | 0 | 0 | 0 | 108.8 | ||||
| 117 | R | 94 | Very high | 94.6 | Very high | 200 Ų | 200 | 144.5 Ų | 144.5 | 76% | 0.755 | 70% | 0.701 | S | S | * | * | trans | -86.1 | 141.4 | 177.3 | -58.3 | -173.1 | -178.8 | -166.3 | -0.9 | 108.8 | P115 Y119 | P115-R117 WeakPolarHBondContact O-CG 3.42Å; P115-R117 PolarHBondContact O-N 2.99Å; R117-Y119 WeakPolarHBondContact O-CD1 3.48Å | ||
| 118 | K | 96 | Very high | 94.5 | Very high | 213 Ų | 213 | 148.8 Ų | 148.8 | 93% | 0.926 | 72% | 0.723 | S | S | * | * | trans | -78.9 | 127.6 | 168.9 | -65.4 | -178 | 178.5 | -178.9 | 0 | 108.2 | ||||
| 119 | Y | 95.2 | Very high | 94.3 | Very high | 202 Ų | 202 | 151.7 Ų | 151.7 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | trans | -144.8 | 162.3 | 175.7 | 66.7 | -86.6 | 0 | 0 | 0 | 110 | R117 | R117-Y119 WeakPolarHBondContact O-CD1 3.48Š| ||
| 120 | A | 94.9 | Very high | 94.1 | Very high | 96 Ų | 96 | 150.8 Ų | 150.8 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | trans | -132.9 | 157.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 121 | V | 91.7 | Very high | 93.9 | Very high | 129 Ų | 129 | 152.6 Ų | 152.6 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | trans | -111.3 | 137.3 | 174.7 | -174.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 122 | K | 89.9 | Confident | 93.7 | Very high | 198 Ų | 198 | 159.4 Ų | 159.4 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -69.7 | 140.7 | 174.7 | -169.5 | -179 | 175.2 | -175.3 | 0 | 109 | ||||
| 123 | A | 85.4 | Confident | 93.6 | Very high | 165 Ų | 165 | 156.3 Ų | 156.3 | 100% | 1.364 | 80% | 0.803 | S | S | * | * | trans | -58.7 | 0 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 |
Retrieved 123 of 123 residues in 44.1 ms
(Link to these results)