| 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 | 64.4 | Low | 87.7 | Confident | 122 Ų | 122 | 91.1 Ų | 91.1 | 60% | 0.601 | 48% | 0.484 | S | S | * | . | 0 | 131.7 | 0 | -110.4 | -156.4 | -162 | 0 | 0 | 110.2 | L24 E27 | M1-L24 HydrophobicContact CE-CD2 4Å; M1-L24 HydrophobicContact SD-CD2 3.67Å; M1-E27 WeakPolarHBondContact CE-OE2 3.25Å | |||
| 2 | A | 78.2 | Confident | 88.2 | Confident | 89 Ų | 89 | 90.7 Ų | 90.7 | 74% | 0.736 | 48% | 0.475 | S | S | * | . | trans | -73 | 153.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I4 | A2-I4 PolarHBondContact O-N 2.98Š| ||
| 3 | K | 88.3 | Confident | 88.7 | Confident | 141 Ų | 141 | 94.8 Ų | 94.8 | 61% | 0.613 | 49% | 0.487 | S | S | * | . | trans | -66 | 115 | 177 | 178.6 | -173.7 | 174.3 | -174.9 | 0 | 110.1 | K5 R56 | K3-K5 PolarHBondContact O-N 3.49Å; K3-R56 VanDerWaalsContact CE-NH2 3.31Å; K3-R56 VanDerWaalsContact CG-NH1 3.3Å | ||
| 4 | I | 91.9 | Very high | 89.1 | Confident | 24 Ų | 24 | 97.8 Ų | 97.8 | 12% | 0.123 | 49% | 0.494 | C | S | . | . | trans | -62.1 | 127.8 | 175.3 | -67.6 | 166.7 | 0 | 0 | 0 | 110.4 | A2 L9 Q20 L24 R56 | A2-I4 PolarHBondContact O-N 2.98Å; I4-L9 HydrophobicContact CG2-CD1 3.76Å; I4-L9 HydrophobicContact CG2-CD2 3.84Å; I4-L9 HydrophobicContact CG2-CG 3.82Å; I4-Q20 VanDerWaalsContact CD1-NE2 3.29Å; I4-L24 HydrophobicContact CD1-CD1 3.71Å; I4-L24 HydrophobicContact CD1-CD2 4.08Å; I4-L24 HydrophobicContact CD1-CG 4.44Å; I4-R56 VanDerWaalsContact O-CD 3.27Å; I4-R56 WeakPolarHBondContact O-CD 3.47Å; I4-R56 PolarHBondContact O-NH1 2.84Å | ||
| 5 | K | 92.9 | Very high | 89.4 | Confident | 107 Ų | 107 | 101.6 Ų | 101.6 | 47% | 0.465 | 51% | 0.51 | S | S | . | . | trans | -92.9 | 142.5 | 175.6 | -56.3 | 176.4 | 179.1 | 175.3 | 0 | 109.8 | K3 R7 D8 | K3-K5 PolarHBondContact O-N 3.49Å; K5-R7 VanDerWaalsContact C-N 3.27Å; K5-R7 HydrophobicContact CB-CG 4.23Å; K5-R7 PolarHBondContact O-N 3.29Å; K5-D8 WeakPolarHBondContact CB-OD2 3.29Å; K5-D8 PolarHBondContact O-N 3.06Å | ||
| 6 | A | 92.6 | Very high | 89.8 | Confident | 33 Ų | 33 | 101.4 Ų | 101.4 | 27% | 0.273 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -66 | -30.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D8 L9 R10 V60 | A6-D8 VanDerWaalsContact C-N 3.28Å; A6-D8 PolarHBondContact O-N 3.48Å; A6-L9 PolarHBondContact O-N 3.32Å; A6-R10 PolarHBondContact O-N 3.02Å; A6-V60 HydrophobicContact CB-CG2 4.42Å |
| 7 | R | 92.9 | Very high | 90.1 | Very high | 163 Ų | 163 | 95.6 Ų | 95.6 | 62% | 0.615 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -61.2 | -37.5 | 177.8 | 75.1 | -167.7 | -179.7 | 173.7 | 4.4 | 112.1 | K5 L9 R10 | K5-R7 VanDerWaalsContact C-N 3.27Å; K5-R7 HydrophobicContact CB-CG 4.23Å; K5-R7 PolarHBondContact O-N 3.29Å; R7-L9 PolarHBondContact O-N 3.45Å; R7-R10 PolarHBondContact O-N 3.35Å |
| 8 | D | 90.6 | Very high | 90.4 | Very high | 86 Ų | 86 | 94.3 Ų | 94.3 | 46% | 0.46 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -75.5 | -14 | -178.3 | -43.8 | -27 | 0 | 0 | 0 | 111.9 | K5 A6 K12 | K5-D8 WeakPolarHBondContact CB-OD2 3.29Å; K5-D8 PolarHBondContact O-N 3.06Å; A6-D8 VanDerWaalsContact C-N 3.28Å; A6-D8 PolarHBondContact O-N 3.48Å; D8-K12 VanDerWaalsContact O-CE 3.32Å; D8-K12 WeakPolarHBondContact O-CE 3.49Å |
| 9 | L | 93.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 97.2 Ų | 97.2 | 1% | 0.01 | 48% | 0.481 | C | S | . | . | G | 310 helix | trans | -91.6 | -25.4 | 176 | -61 | 176.3 | 0 | 0 | 0 | 112.2 | I4 A6 R7 G11 K12 L17 R56 V57 V60 | I4-L9 HydrophobicContact CG2-CD1 3.76Å; I4-L9 HydrophobicContact CG2-CD2 3.84Å; I4-L9 HydrophobicContact CG2-CG 3.82Å; A6-L9 PolarHBondContact O-N 3.32Å; R7-L9 PolarHBondContact O-N 3.45Å; L9-G11 PolarHBondContact O-N 3.4Å; L9-K12 PolarHBondContact O-N 2.85Å; L9-L17 HydrophobicContact CB-CD2 4.06Å; L9-L17 HydrophobicContact CD2-CD2 3.79Å; L9-L17 HydrophobicContact CG-CD2 4.46Å; L9-R56 HydrophobicContact CD1-CB 4.44Å; L9-V57 HydrophobicContact CD1-CB 4.43Å; L9-V57 HydrophobicContact CD1-CG2 3.78Å; L9-V57 HydrophobicContact CD2-CG2 4.17Å; L9-V60 HydrophobicContact CB-CB 4.37Å; L9-V60 HydrophobicContact CB-CG1 4.13Å; L9-V60 HydrophobicContact CB-CG2 4.12Å; L9-V60 HydrophobicContact CD1-CG2 4.14Å |
| 10 | R | 90.6 | Very high | 90.9 | Very high | 152 Ų | 152 | 94.4 Ų | 94.4 | 57% | 0.574 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 113.9 | 178.4 | -70.8 | 175.8 | -177.9 | 165.6 | -1.3 | 108 | A6 R7 V60 | A6-R10 PolarHBondContact O-N 3.02Å; R7-R10 PolarHBondContact O-N 3.35Å; R10-V60 HydrophobicContact CG-CG1 4.18Å |
| 11 | G | 89.1 | Confident | 91.2 | Very high | 83 Ų | 83 | 90.2 Ų | 90.2 | 86% | 0.856 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 118.5 | -20.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L9 | L9-G11 PolarHBondContact O-N 3.4Š|
| 12 | K | 93.7 | Very high | 92.8 | Very high | 86 Ų | 86 | 87.9 Ų | 87.9 | 37% | 0.374 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -71.7 | 150.4 | 171.1 | -64.1 | -168.2 | -178.9 | -169.4 | 0 | 111.6 | D8 L9 E16 L17 | D8-K12 VanDerWaalsContact O-CE 3.32Å; D8-K12 WeakPolarHBondContact O-CE 3.49Å; L9-K12 PolarHBondContact O-N 2.85Å; K12-E16 WeakPolarHBondContact CB-OE2 3.5Å; K12-L17 HydrophobicContact CB-CD2 4.03Å; K12-L17 HydrophobicContact CB-CG 4.06Å; K12-L17 HydrophobicContact CD-CD2 4.19Å |
| 13 | K | 94.9 | Very high | 93.6 | Very high | 144 Ų | 144 | 87.9 Ų | 87.9 | 63% | 0.626 | 42% | 0.424 | S | S | * | . | trans | -69.9 | 155.9 | 174.3 | -67.8 | -177.9 | -179 | 177 | 0 | 110.8 | E15 E16 L17 | K13-E15 VanDerWaalsContact C-N 3.27Å; K13-E15 PolarHBondContact O-N 3.1Å; K13-E16 HydrophobicContact CB-CG 4.4Å; K13-E16 PolarHBondContact O-N 3.06Å; K13-L17 WeakPolarHBondContact O-CG 3.29Å; K13-L17 PolarHBondContact O-N 3.36Å; K13-L17 VanDerWaalsContact O-N 3.12Å | ||
| 14 | K | 93.2 | Very high | 94 | Very high | 137 Ų | 137 | 81.3 Ų | 81.3 | 60% | 0.596 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -57.8 | -40.6 | 179.6 | -176.1 | -177.9 | 175.2 | -170.7 | 0 | 112 | L17 L18 | K14-L17 PolarHBondContact O-N 3.45Å; K14-L18 HydrophobicContact CG-CD1 4.26Å; K14-L18 WeakPolarHBondContact O-CG 3.47Å; K14-L18 PolarHBondContact O-N 3.12Å |
| 15 | E | 94.9 | Very high | 94.2 | Very high | 155 Ų | 155 | 84.7 Ų | 84.7 | 72% | 0.724 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.9 | -44.4 | 179.4 | -68.5 | 165.3 | -164.4 | 0 | 0 | 112 | K13 L17 L18 K19 | K13-E15 VanDerWaalsContact C-N 3.27Å; K13-E15 PolarHBondContact O-N 3.1Å; E15-L17 VanDerWaalsContact C-N 3.33Å; E15-L17 PolarHBondContact O-N 2.76Å; E15-L18 PolarHBondContact O-N 2.91Å; E15-K19 PolarHBondContact O-N 2.98Å |
| 16 | E | 95.1 | Very high | 94.4 | Very high | 98 Ų | 98 | 84.2 Ų | 84.2 | 46% | 0.458 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 175.7 | -65.8 | 170.1 | -161.1 | 0 | 0 | 112 | K12 K13 L18 K19 Q20 | K12-E16 WeakPolarHBondContact CB-OE2 3.5Å; K13-E16 HydrophobicContact CB-CG 4.4Å; K13-E16 PolarHBondContact O-N 3.06Å; E16-L18 VanDerWaalsContact C-N 3.33Å; E16-K19 PolarHBondContact O-N 3.14Å; E16-Q20 WeakPolarHBondContact O-CB 3.42Å; E16-Q20 PolarHBondContact O-N 3.22Å |
| 17 | L | 95.1 | Very high | 94.5 | Very high | 4 Ų | 4 | 84.6 Ų | 84.6 | 2% | 0.021 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.7 | -34.3 | 176.6 | -67.4 | 174.6 | 0 | 0 | 0 | 112.1 | L9 K12 K13 K14 E15 L21 V57 V60 I61 | L9-L17 HydrophobicContact CB-CD2 4.06Å; L9-L17 HydrophobicContact CD2-CD2 3.79Å; L9-L17 HydrophobicContact CG-CD2 4.46Å; K12-L17 HydrophobicContact CB-CD2 4.03Å; K12-L17 HydrophobicContact CB-CG 4.06Å; K12-L17 HydrophobicContact CD-CD2 4.19Å; K13-L17 WeakPolarHBondContact O-CG 3.29Å; K13-L17 PolarHBondContact O-N 3.36Å; K13-L17 VanDerWaalsContact O-N 3.12Å; K14-L17 PolarHBondContact O-N 3.45Å; E15-L17 VanDerWaalsContact C-N 3.33Å; E15-L17 PolarHBondContact O-N 2.76Å; L17-L21 VanDerWaalsContact O-CB 3.29Å; L17-L21 WeakPolarHBondContact O-CB 3.46Å; L17-L21 PolarHBondContact O-N 2.96Å; L17-V57 HydrophobicContact CB-CG1 4.37Å; L17-V57 WeakPolarHBondContact O-CG1 3.48Å; L17-V60 HydrophobicContact CD1-CG1 4.4Å; L17-I61 HydrophobicContact CB-CD1 3.94Å; L17-I61 HydrophobicContact CB-CG1 3.93Å; L17-I61 HydrophobicContact CD1-CG1 3.91Å |
| 18 | L | 96.3 | Very high | 94.6 | Very high | 71 Ų | 71 | 77.6 Ų | 77.6 | 37% | 0.372 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -70.3 | -44.3 | 175.2 | -72.3 | 173.1 | 0 | 0 | 0 | 111.4 | K14 E15 E16 Q20 L21 D22 I61 | K14-L18 HydrophobicContact CG-CD1 4.26Å; K14-L18 WeakPolarHBondContact O-CG 3.47Å; K14-L18 PolarHBondContact O-N 3.12Å; E15-L18 PolarHBondContact O-N 2.91Å; E16-L18 VanDerWaalsContact C-N 3.33Å; L18-Q20 PolarHBondContact O-N 3.1Å; L18-L21 HydrophobicContact CD2-CD2 4.47Å; L18-L21 WeakPolarHBondContact O-CB 3.26Å; L18-L21 PolarHBondContact O-N 3.35Å; L18-L21 VanDerWaalsContact O-N 3.11Å; L18-D22 PolarHBondContact O-N 3.23Å; L18-I61 HydrophobicContact CD2-CD1 4.25Å |
| 19 | K | 96.6 | Very high | 94.9 | Very high | 149 Ų | 149 | 76.8 Ų | 76.8 | 65% | 0.648 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -57.9 | -49.7 | 173.7 | -173 | 175.5 | -179.1 | 177.3 | 0 | 111.2 | E15 E16 L21 D22 D23 | E15-K19 PolarHBondContact O-N 2.98Å; E16-K19 PolarHBondContact O-N 3.14Å; K19-L21 PolarHBondContact O-N 2.65Å; K19-D22 PolarHBondContact O-N 3.25Å; K19-D22 VanDerWaalsContact O-N 3.14Å; K19-D23 PolarHBondContact O-N 2.7Å |
| 20 | Q | 94.3 | Very high | 94.9 | Very high | 41 Ų | 41 | 83.1 Ų | 83.1 | 19% | 0.192 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.8 | -32.5 | 176.9 | -173.3 | 172.4 | -3.2 | 0 | 0 | 112.5 | I4 E16 L18 L24 | I4-Q20 VanDerWaalsContact CD1-NE2 3.29Å; E16-Q20 WeakPolarHBondContact O-CB 3.42Å; E16-Q20 PolarHBondContact O-N 3.22Å; L18-Q20 PolarHBondContact O-N 3.1Å; Q20-L24 HydrophobicContact CG-CD1 4.39Å; Q20-L24 WeakPolarHBondContact O-CD1 3.43Å; Q20-L24 WeakPolarHBondContact O-CG 3.39Å; Q20-L24 PolarHBondContact O-N 3.49Å |
| 21 | L | 96.2 | Very high | 95.1 | Very high | 7 Ų | 7 | 76.2 Ų | 76.2 | 4% | 0.037 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.5 | -42.4 | 176 | 177 | 66.9 | 0 | 0 | 0 | 111.9 | L17 L18 K19 L24 K25 I54 V57 L58 | L17-L21 VanDerWaalsContact O-CB 3.29Å; L17-L21 WeakPolarHBondContact O-CB 3.46Å; L17-L21 PolarHBondContact O-N 2.96Å; L18-L21 HydrophobicContact CD2-CD2 4.47Å; L18-L21 WeakPolarHBondContact O-CB 3.26Å; L18-L21 PolarHBondContact O-N 3.35Å; L18-L21 VanDerWaalsContact O-N 3.11Å; K19-L21 PolarHBondContact O-N 2.65Å; L21-L24 PolarHBondContact O-N 3.05Å; L21-K25 WeakPolarHBondContact O-CG 3.46Å; L21-K25 PolarHBondContact O-N 3.17Å; L21-I54 HydrophobicContact CD1-CB 4.49Å; L21-I54 HydrophobicContact CD1-CG2 3.8Å; L21-V57 HydrophobicContact CB-CG1 4.07Å; L21-V57 HydrophobicContact CD1-CG1 4.42Å; L21-L58 HydrophobicContact CD1-CD2 4.17Å; L21-L58 HydrophobicContact CD1-CG 3.98Å; L21-L58 HydrophobicContact CD2-CD2 3.64Å; L21-L58 HydrophobicContact CD2-CG 4.37Å |
| 22 | D | 97.4 | Very high | 95.4 | Very high | 73 Ų | 73 | 79.3 Ų | 79.3 | 39% | 0.39 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -73 | -37.7 | -178.2 | -68.4 | -25.9 | 0 | 0 | 0 | 111.8 | L18 K19 L24 K25 N26 | L18-D22 PolarHBondContact O-N 3.23Å; K19-D22 PolarHBondContact O-N 3.25Å; K19-D22 VanDerWaalsContact O-N 3.14Å; D22-L24 VanDerWaalsContact C-N 3.31Å; D22-L24 PolarHBondContact O-N 2.9Å; D22-K25 PolarHBondContact O-N 2.83Å; D22-K25 VanDerWaalsContact O-N 3.14Å; D22-K25 IonicContact OD1-NZ 2.65Å; D22-K25 PolarHBondContact OD1-NZ 3.03Å; D22-N26 PolarHBondContact O-N 3Å; D22-N26 PolarHBondContact O-ND2 3.22Å |
| 23 | D | 96.1 | Very high | 95.4 | Very high | 90 Ų | 90 | 79.6 Ų | 79.6 | 48% | 0.481 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.1 | -45 | 170.9 | -65.5 | -25.5 | 0 | 0 | 0 | 111.5 | K19 K25 N26 E27 | K19-D23 PolarHBondContact O-N 2.7Å; D23-K25 PolarHBondContact O-N 3.15Å; D23-N26 PolarHBondContact O-N 2.91Å; D23-E27 PolarHBondContact O-N 3.03Å |
| 24 | L | 96.2 | Very high | 95.3 | Very high | 3 Ų | 3 | 73.2 Ų | 73.2 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.4 | -33.2 | 177.7 | -71.5 | 169.4 | 0 | 0 | 0 | 113 | M1 I4 Q20 L21 D22 L28 V50 I54 V57 | M1-L24 HydrophobicContact CE-CD2 4Å; M1-L24 HydrophobicContact SD-CD2 3.67Å; I4-L24 HydrophobicContact CD1-CD1 3.71Å; I4-L24 HydrophobicContact CD1-CD2 4.08Å; I4-L24 HydrophobicContact CD1-CG 4.44Å; Q20-L24 HydrophobicContact CG-CD1 4.39Å; Q20-L24 WeakPolarHBondContact O-CD1 3.43Å; Q20-L24 WeakPolarHBondContact O-CG 3.39Å; Q20-L24 PolarHBondContact O-N 3.49Å; L21-L24 PolarHBondContact O-N 3.05Å; D22-L24 VanDerWaalsContact C-N 3.31Å; D22-L24 PolarHBondContact O-N 2.9Å; L24-L28 WeakPolarHBondContact O-CB 3.46Å; L24-L28 PolarHBondContact O-N 2.81Å; L24-V50 HydrophobicContact CB-CG1 4.48Å; L24-V50 HydrophobicContact CD2-CG1 4.35Å; L24-V50 WeakPolarHBondContact O-CG1 3.48Å; L24-I54 HydrophobicContact CB-CD1 4.26Å; L24-I54 HydrophobicContact CB-CG1 3.65Å; L24-I54 HydrophobicContact CD1-CG1 4.36Å; L24-V57 HydrophobicContact CD1-CG2 4.12Å |
| 25 | K | 97 | Very high | 95.4 | Very high | 94 Ų | 94 | 73.3 Ų | 73.3 | 41% | 0.409 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.7 | -41.5 | 174.7 | -74.8 | 171 | -171.5 | 157 | 0 | 111.1 | L21 D22 D23 L28 S29 I54 | L21-K25 WeakPolarHBondContact O-CG 3.46Å; L21-K25 PolarHBondContact O-N 3.17Å; D22-K25 PolarHBondContact O-N 2.83Å; D22-K25 VanDerWaalsContact O-N 3.14Å; D22-K25 IonicContact OD1-NZ 2.65Å; D22-K25 PolarHBondContact OD1-NZ 3.03Å; D23-K25 PolarHBondContact O-N 3.15Å; K25-L28 PolarHBondContact O-N 2.98Å; K25-S29 PolarHBondContact O-N 3.16Å; K25-I54 HydrophobicContact CG-CD1 4.37Å |
| 26 | N | 96.9 | Very high | 95.4 | Very high | 98 Ų | 98 | 72.2 Ų | 72.2 | 52% | 0.524 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 176.6 | -70.3 | -21.6 | 0 | 0 | 0 | 110.8 | D22 D23 L28 S29 Q30 | D22-N26 PolarHBondContact O-N 3Å; D22-N26 PolarHBondContact O-ND2 3.22Å; D23-N26 PolarHBondContact O-N 2.91Å; N26-L28 VanDerWaalsContact C-N 3.33Å; N26-L28 PolarHBondContact O-N 3.27Å; N26-S29 WeakPolarHBondContact O-CB 3.43Å; N26-S29 PolarHBondContact O-N 3.29Å; N26-S29 VanDerWaalsContact O-N 3.16Å; N26-Q30 WeakPolarHBondContact O-CG 3.37Å; N26-Q30 PolarHBondContact O-N 3.29Å |
| 27 | E | 94.3 | Very high | 95.2 | Very high | 40 Ų | 40 | 72.8 Ų | 72.8 | 19% | 0.187 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 173.6 | -171.2 | -173.4 | -171.7 | 0 | 0 | 111.3 | M1 D23 S29 Q30 L31 V50 | M1-E27 WeakPolarHBondContact CE-OE2 3.25Å; D23-E27 PolarHBondContact O-N 3.03Å; E27-S29 VanDerWaalsContact C-N 3.3Å; E27-S29 PolarHBondContact O-N 3.15Å; E27-Q30 PolarHBondContact O-N 3.36Å; E27-L31 HydrophobicContact CG-CD1 4.3Å; E27-L31 VanDerWaalsContact O-CG 3.28Å; E27-L31 WeakPolarHBondContact O-CG 3.46Å; E27-L31 PolarHBondContact O-N 3.17Å; E27-V50 HydrophobicContact CG-CG2 4.49Å |
| 28 | L | 95.9 | Very high | 94.9 | Very high | 17 Ų | 17 | 75.7 Ų | 75.7 | 9% | 0.089 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61 | -38.9 | 176.5 | -178.3 | 61.9 | 0 | 0 | 0 | 112.3 | L24 K25 N26 L31 R32 I47 V50 R51 I54 | L24-L28 WeakPolarHBondContact O-CB 3.46Å; L24-L28 PolarHBondContact O-N 2.81Å; K25-L28 PolarHBondContact O-N 2.98Å; N26-L28 VanDerWaalsContact C-N 3.33Å; N26-L28 PolarHBondContact O-N 3.27Å; L28-L31 PolarHBondContact O-N 3Å; L28-R32 WeakPolarHBondContact O-CG 3.19Å; L28-R32 PolarHBondContact O-N 3.32Å; L28-I47 HydrophobicContact CD1-CG2 4.07Å; L28-V50 HydrophobicContact CB-CG1 3.9Å; L28-V50 HydrophobicContact CD1-CG1 4.5Å; L28-R51 HydrophobicContact CD1-CG 3.82Å; L28-R51 HydrophobicContact CD2-CG 3.95Å; L28-I54 HydrophobicContact CB-CD1 4.19Å; L28-I54 HydrophobicContact CD2-CD1 3.74Å |
| 29 | S | 96.3 | Very high | 94.5 | Very high | 68 Ų | 68 | 73.5 Ų | 73.5 | 48% | 0.476 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.1 | -49.6 | 176.5 | -169.2 | 0 | 0 | 0 | 0 | 111.1 | K25 N26 E27 L31 R32 V33 | K25-S29 PolarHBondContact O-N 3.16Å; N26-S29 WeakPolarHBondContact O-CB 3.43Å; N26-S29 PolarHBondContact O-N 3.29Å; N26-S29 VanDerWaalsContact O-N 3.16Å; E27-S29 VanDerWaalsContact C-N 3.3Å; E27-S29 PolarHBondContact O-N 3.15Å; S29-L31 VanDerWaalsContact C-N 3.29Å; S29-L31 PolarHBondContact O-N 3.3Å; S29-R32 WeakPolarHBondContact O-CB 3.45Å; S29-R32 PolarHBondContact O-N 3.31Å; S29-V33 PolarHBondContact O-N 3.34Å; S29-V33 VanDerWaalsContact O-N 3.08Å |
| 30 | Q | 93.8 | Very high | 94.3 | Very high | 135 Ų | 135 | 69.4 Ų | 69.4 | 63% | 0.631 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.2 | -39.9 | 176.2 | -68 | 175.9 | -1.4 | 0 | 0 | 112.2 | N26 E27 R32 V33 A34 | N26-Q30 WeakPolarHBondContact O-CG 3.37Å; N26-Q30 PolarHBondContact O-N 3.29Å; E27-Q30 PolarHBondContact O-N 3.36Å; Q30-R32 VanDerWaalsContact C-N 3.31Å; Q30-R32 PolarHBondContact O-N 3.39Å; Q30-V33 PolarHBondContact O-N 2.72Å; Q30-A34 WeakPolarHBondContact O-CB 3.46Å; Q30-A34 PolarHBondContact O-N 3.42Å |
| 31 | L | 94.5 | Very high | 94 | Very high | 8 Ų | 8 | 71.2 Ų | 71.2 | 4% | 0.042 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.7 | -29.6 | 176.3 | -68.7 | 175.6 | 0 | 0 | 0 | 113 | E27 L28 S29 K35 K43 K46 I47 V50 | E27-L31 HydrophobicContact CG-CD1 4.3Å; E27-L31 VanDerWaalsContact O-CG 3.28Å; E27-L31 WeakPolarHBondContact O-CG 3.46Å; E27-L31 PolarHBondContact O-N 3.17Å; L28-L31 PolarHBondContact O-N 3Å; S29-L31 VanDerWaalsContact C-N 3.29Å; S29-L31 PolarHBondContact O-N 3.3Å; L31-K35 PolarHBondContact O-N 3.4Å; L31-K35 VanDerWaalsContact O-N 3.07Å; L31-K43 HydrophobicContact CD2-CD 4.43Å; L31-K43 HydrophobicContact CD2-CG 3.54Å; L31-K46 HydrophobicContact CD1-CB 3.99Å; L31-I47 HydrophobicContact CB-CD1 4.48Å; L31-I47 HydrophobicContact CB-CG1 3.78Å; L31-I47 HydrophobicContact CD1-CG1 4.3Å; L31-V50 HydrophobicContact CD1-CG2 3.92Å |
| 32 | R | 94.6 | Very high | 93.7 | Very high | 147 Ų | 147 | 74.8 Ų | 74.8 | 56% | 0.555 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -71.3 | -40.9 | 174.4 | -75.3 | 171.5 | 172.5 | -172.7 | -3.1 | 111.6 | L28 S29 Q30 A34 K35 V36 | L28-R32 WeakPolarHBondContact O-CG 3.19Å; L28-R32 PolarHBondContact O-N 3.32Å; S29-R32 WeakPolarHBondContact O-CB 3.45Å; S29-R32 PolarHBondContact O-N 3.31Å; Q30-R32 VanDerWaalsContact C-N 3.31Å; Q30-R32 PolarHBondContact O-N 3.39Å; R32-A34 VanDerWaalsContact C-N 3.33Å; R32-K35 WeakPolarHBondContact O-CB 3.23Å; R32-K35 PolarHBondContact O-N 3.47Å; R32-K35 VanDerWaalsContact O-N 3.15Å; R32-V36 PolarHBondContact O-N 3.13Å |
| 33 | V | 94.4 | Very high | 93.2 | Very high | 92 Ų | 92 | 75.9 Ų | 75.9 | 56% | 0.558 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.6 | -44.3 | 172.7 | 177.5 | 0 | 0 | 0 | 0 | 110.6 | S29 Q30 K35 V36 T37 | S29-V33 PolarHBondContact O-N 3.34Å; S29-V33 VanDerWaalsContact O-N 3.08Å; Q30-V33 PolarHBondContact O-N 2.72Å; V33-K35 PolarHBondContact O-N 3.27Å; V33-V36 PolarHBondContact O-N 3.19Å; V33-V36 VanDerWaalsContact O-N 3.12Å; V33-T37 PolarHBondContact O-N 2.94Å; V33-T37 VanDerWaalsContact O-N 3.15Å; V33-T37 PolarHBondContact O-OG1 3.44Å |
| 34 | A | 93.5 | Very high | 92.8 | Very high | 10 Ų | 10 | 74.4 Ų | 74.4 | 8% | 0.083 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.1 | -28.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q30 R32 T37 G39 K43 | Q30-A34 WeakPolarHBondContact O-CB 3.46Å; Q30-A34 PolarHBondContact O-N 3.42Å; R32-A34 VanDerWaalsContact C-N 3.33Å; A34-T37 WeakPolarHBondContact CA-OG1 3.4Å; A34-T37 PolarHBondContact O-OG1 3.1Å; A34-G39 WeakPolarHBondContact O-CA 3.42Å; A34-G39 PolarHBondContact O-N 3.49Å; A34-K43 HydrophobicContact CB-CD 4.09Å |
| 35 | K | 94.6 | Very high | 92.6 | Very high | 140 Ų | 140 | 78 Ų | 78 | 61% | 0.609 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -68.4 | -40.2 | 174.6 | -175.2 | -175.3 | 175.8 | -167.1 | 0 | 112.4 | L31 R32 V33 L44 I47 | L31-K35 PolarHBondContact O-N 3.4Å; L31-K35 VanDerWaalsContact O-N 3.07Å; R32-K35 WeakPolarHBondContact O-CB 3.23Å; R32-K35 PolarHBondContact O-N 3.47Å; R32-K35 VanDerWaalsContact O-N 3.15Å; V33-K35 PolarHBondContact O-N 3.27Å; K35-L44 HydrophobicContact CB-CD2 3.72Å; K35-L44 HydrophobicContact CG-CD2 4.02Å; K35-I47 HydrophobicContact CB-CD1 4.23Å; K35-I47 HydrophobicContact CD-CD1 4.27Å |
| 36 | V | 93.9 | Very high | 92.3 | Very high | 131 Ų | 131 | 77.7 Ų | 77.7 | 79% | 0.794 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -70.5 | -39.1 | -179.5 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | R32 V33 G38 | R32-V36 PolarHBondContact O-N 3.13Å; V33-V36 PolarHBondContact O-N 3.19Å; V33-V36 VanDerWaalsContact O-N 3.12Å; V36-G38 PolarHBondContact O-N 3.45Å |
| 37 | T | 92.3 | Very high | 92.2 | Very high | 110 Ų | 110 | 74.4 Ų | 74.4 | 68% | 0.675 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | 8.6 | -178.9 | 47.8 | 0 | 0 | 0 | 0 | 114.4 | V33 A34 | V33-T37 PolarHBondContact O-N 2.94Å; V33-T37 VanDerWaalsContact O-N 3.15Å; V33-T37 PolarHBondContact O-OG1 3.44Å; A34-T37 WeakPolarHBondContact CA-OG1 3.4Å; A34-T37 PolarHBondContact O-OG1 3.1Å |
| 38 | G | 88 | Confident | 92.1 | Very high | 66 Ų | 66 | 80.8 Ų | 80.8 | 68% | 0.68 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 31.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | V36 | V36-G38 PolarHBondContact O-N 3.45Š|
| 39 | G | 87.9 | Confident | 92.1 | Very high | 24 Ų | 24 | 82.5 Ų | 82.5 | 25% | 0.247 | 47% | 0.47 | C | S | . | . | trans | -63.7 | 161.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | A34 L44 | A34-G39 WeakPolarHBondContact O-CA 3.42Å; A34-G39 PolarHBondContact O-N 3.49Å; G39-L44 WeakPolarHBondContact O-CD1 3.28Å | ||
| 40 | A | 91.9 | Very high | 92 | Very high | 63 Ų | 63 | 79.4 Ų | 79.4 | 52% | 0.521 | 45% | 0.449 | S | S | . | . | trans | -51.6 | 140.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S42 K43 L44 | A40-S42 PolarHBondContact O-N 3.28Å; A40-S42 VanDerWaalsContact O-N 3.15Å; A40-K43 WeakPolarHBondContact O-CA 3.45Å; A40-K43 WeakPolarHBondContact O-CB 3.46Å; A40-K43 PolarHBondContact O-N 3.43Å; A40-L44 PolarHBondContact O-N 3.49Å | ||
| 41 | A | 89 | Confident | 92.1 | Very high | 79 Ų | 79 | 80.3 Ų | 80.3 | 65% | 0.653 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -55.1 | -36.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K43 L44 S45 | A41-K43 VanDerWaalsContact C-N 3.27Å; A41-K43 PolarHBondContact O-N 3.41Å; A41-L44 PolarHBondContact O-N 2.77Å; A41-S45 PolarHBondContact O-N 3.35Å |
| 42 | S | 88.7 | Confident | 92.2 | Very high | 82 Ų | 82 | 84.8 Ų | 84.8 | 57% | 0.573 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.4 | -33.7 | 175.7 | 63.2 | 0 | 0 | 0 | 0 | 112.6 | A40 S45 | A40-S42 PolarHBondContact O-N 3.28Å; A40-S42 VanDerWaalsContact O-N 3.15Å; S42-S45 PolarHBondContact O-OG 3.28Å |
| 43 | K | 87.3 | Confident | 92.3 | Very high | 97 Ų | 97 | 78 Ų | 78 | 42% | 0.422 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -76.3 | -39.6 | 176 | -164.2 | 170.3 | -178.1 | 178.8 | 0 | 111.2 | L31 A34 A40 A41 S45 K46 | L31-K43 HydrophobicContact CD2-CD 4.43Å; L31-K43 HydrophobicContact CD2-CG 3.54Å; A34-K43 HydrophobicContact CB-CD 4.09Å; A40-K43 WeakPolarHBondContact O-CA 3.45Å; A40-K43 WeakPolarHBondContact O-CB 3.46Å; A40-K43 PolarHBondContact O-N 3.43Å; A41-K43 VanDerWaalsContact C-N 3.27Å; A41-K43 PolarHBondContact O-N 3.41Å; K43-S45 PolarHBondContact O-N 3.42Å; K43-K46 WeakPolarHBondContact O-CB 3.32Å; K43-K46 PolarHBondContact O-N 2.93Å |
| 44 | L | 88.6 | Confident | 92.3 | Very high | 59 Ų | 59 | 74.6 Ų | 74.6 | 31% | 0.309 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.6 | -36.5 | 177.8 | -58.3 | -179.5 | 0 | 0 | 0 | 113 | K35 G39 A40 A41 K46 I47 | K35-L44 HydrophobicContact CB-CD2 3.72Å; K35-L44 HydrophobicContact CG-CD2 4.02Å; G39-L44 WeakPolarHBondContact O-CD1 3.28Å; A40-L44 PolarHBondContact O-N 3.49Å; A41-L44 PolarHBondContact O-N 2.77Å; L44-K46 PolarHBondContact O-N 3.33Å; L44-K46 VanDerWaalsContact O-N 3.15Å; L44-I47 HydrophobicContact CD2-CD1 4.23Å; L44-I47 WeakPolarHBondContact O-CB 3.3Å; L44-I47 WeakPolarHBondContact O-CG1 3.13Å; L44-I47 PolarHBondContact O-N 3.44Å; L44-I47 VanDerWaalsContact O-N 3.11Å |
| 45 | S | 90.4 | Very high | 92.5 | Very high | 79 Ų | 79 | 76.5 Ų | 76.5 | 55% | 0.552 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -57.3 | -29.5 | 176.8 | 76.7 | 0 | 0 | 0 | 0 | 113 | A41 S42 K43 I47 | A41-S45 PolarHBondContact O-N 3.35Å; S42-S45 PolarHBondContact O-OG 3.28Å; K43-S45 PolarHBondContact O-N 3.42Å; S45-I47 VanDerWaalsContact C-N 3.29Å; S45-I47 PolarHBondContact O-N 3.48Å |
| 46 | K | 92.3 | Very high | 92.6 | Very high | 86 Ų | 86 | 72.5 Ų | 72.5 | 37% | 0.374 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.1 | -24.2 | -179.4 | -62.7 | 175.6 | -176.8 | 174.1 | 0 | 112.8 | L31 K43 L44 R48 V49 V50 | L31-K46 HydrophobicContact CD1-CB 3.99Å; K43-K46 WeakPolarHBondContact O-CB 3.32Å; K43-K46 PolarHBondContact O-N 2.93Å; L44-K46 PolarHBondContact O-N 3.33Å; L44-K46 VanDerWaalsContact O-N 3.15Å; K46-R48 VanDerWaalsContact C-N 3.29Å; K46-R48 PolarHBondContact O-N 3.27Å; K46-V49 WeakPolarHBondContact O-CB 3.49Å; K46-V49 PolarHBondContact O-N 2.95Å; K46-V50 WeakPolarHBondContact O-CG2 3.31Å; K46-V50 PolarHBondContact O-N 3.3Å |
| 47 | I | 94 | Very high | 92.7 | Very high | 29 Ų | 29 | 66.2 Ų | 66.2 | 15% | 0.149 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -54.7 | -45.8 | -179.4 | -66.4 | 170.8 | 0 | 0 | 0 | 111.1 | L28 L31 K35 L44 S45 V49 R51 | L28-I47 HydrophobicContact CD1-CG2 4.07Å; L31-I47 HydrophobicContact CB-CD1 4.48Å; L31-I47 HydrophobicContact CB-CG1 3.78Å; L31-I47 HydrophobicContact CD1-CG1 4.3Å; K35-I47 HydrophobicContact CB-CD1 4.23Å; K35-I47 HydrophobicContact CD-CD1 4.27Å; L44-I47 HydrophobicContact CD2-CD1 4.23Å; L44-I47 WeakPolarHBondContact O-CB 3.3Å; L44-I47 WeakPolarHBondContact O-CG1 3.13Å; L44-I47 PolarHBondContact O-N 3.44Å; L44-I47 VanDerWaalsContact O-N 3.11Å; S45-I47 VanDerWaalsContact C-N 3.29Å; S45-I47 PolarHBondContact O-N 3.48Å; I47-V49 VanDerWaalsContact C-N 3.31Å; I47-V49 PolarHBondContact O-N 3.42Å; I47-R51 HydrophobicContact CG2-CG 4.49Å; I47-R51 WeakPolarHBondContact O-CB 3.23Å; I47-R51 VanDerWaalsContact O-CG 3.31Å; I47-R51 WeakPolarHBondContact O-CG 3.49Å; I47-R51 PolarHBondContact O-N 3.48Å |
| 48 | R | 93.4 | Very high | 92.9 | Very high | 175 Ų | 175 | 64.4 Ų | 64.4 | 66% | 0.66 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.8 | -39.7 | 179.3 | -171.8 | -178.7 | -173 | -163.1 | 2 | 111.4 | K46 K52 | K46-R48 VanDerWaalsContact C-N 3.29Å; K46-R48 PolarHBondContact O-N 3.27Å; R48-K52 WeakPolarHBondContact O-CB 3.31Å; R48-K52 WeakPolarHBondContact O-CG 3.27Å; R48-K52 PolarHBondContact O-N 3.29Å; R48-K52 VanDerWaalsContact O-N 3.1Å |
| 49 | V | 94.3 | Very high | 93.3 | Very high | 52 Ų | 52 | 64.7 Ų | 64.7 | 32% | 0.315 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68 | -46.8 | -178.6 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | K46 I47 K52 S53 | K46-V49 WeakPolarHBondContact O-CB 3.49Å; K46-V49 PolarHBondContact O-N 2.95Å; I47-V49 VanDerWaalsContact C-N 3.31Å; I47-V49 PolarHBondContact O-N 3.42Å; V49-K52 PolarHBondContact O-N 3.21Å; V49-S53 WeakPolarHBondContact O-CB 3.5Å; V49-S53 PolarHBondContact O-N 3.01Å; V49-S53 PolarHBondContact O-OG 3.35Å |
| 50 | V | 95.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.018 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 178.8 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | L24 E27 L28 L31 K46 K52 S53 I54 | L24-V50 HydrophobicContact CB-CG1 4.48Å; L24-V50 HydrophobicContact CD2-CG1 4.35Å; L24-V50 WeakPolarHBondContact O-CG1 3.48Å; E27-V50 HydrophobicContact CG-CG2 4.49Å; L28-V50 HydrophobicContact CB-CG1 3.9Å; L28-V50 HydrophobicContact CD1-CG1 4.5Å; L31-V50 HydrophobicContact CD1-CG2 3.92Å; K46-V50 WeakPolarHBondContact O-CG2 3.31Å; K46-V50 PolarHBondContact O-N 3.3Å; V50-K52 VanDerWaalsContact C-N 3.35Å; V50-K52 PolarHBondContact O-N 3.01Å; V50-S53 WeakPolarHBondContact O-CA 3.46Å; V50-S53 PolarHBondContact O-N 3.35Å; V50-I54 HydrophobicContact CG1-CD1 4.14Å; V50-I54 HydrophobicContact CG1-CG1 4.49Å; V50-I54 WeakPolarHBondContact O-CG1 3.15Å; V50-I54 PolarHBondContact O-N 3.44Å |
| 51 | R | 96.1 | Very high | 93.9 | Very high | 155 Ų | 155 | 61.4 Ų | 61.4 | 59% | 0.585 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -55.4 | -46.9 | 175.2 | -76.6 | -178.8 | 67.9 | -169.6 | 1.3 | 112.7 | L28 I47 S53 I54 A55 | L28-R51 HydrophobicContact CD1-CG 3.82Å; L28-R51 HydrophobicContact CD2-CG 3.95Å; I47-R51 HydrophobicContact CG2-CG 4.49Å; I47-R51 WeakPolarHBondContact O-CB 3.23Å; I47-R51 VanDerWaalsContact O-CG 3.31Å; I47-R51 WeakPolarHBondContact O-CG 3.49Å; I47-R51 PolarHBondContact O-N 3.48Å; R51-S53 VanDerWaalsContact C-N 3.25Å; R51-S53 PolarHBondContact O-N 3.47Å; R51-I54 PolarHBondContact O-N 2.92Å; R51-A55 PolarHBondContact O-N 3.01Å; R51-A55 VanDerWaalsContact O-N 3.12Å |
| 52 | K | 96 | Very high | 94.3 | Very high | 102 Ų | 102 | 61.6 Ų | 61.6 | 44% | 0.443 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.4 | -29.7 | 177.3 | -75.5 | -172.8 | 176.2 | -172.2 | 0 | 112 | R48 V49 V50 R56 | R48-K52 WeakPolarHBondContact O-CB 3.31Å; R48-K52 WeakPolarHBondContact O-CG 3.27Å; R48-K52 PolarHBondContact O-N 3.29Å; R48-K52 VanDerWaalsContact O-N 3.1Å; V49-K52 PolarHBondContact O-N 3.21Å; V50-K52 VanDerWaalsContact C-N 3.35Å; V50-K52 PolarHBondContact O-N 3.01Å; K52-R56 WeakPolarHBondContact O-CG 3.45Å; K52-R56 PolarHBondContact O-N 2.98Å; K52-R56 VanDerWaalsContact O-N 3.16Å |
| 53 | S | 96.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -75.7 | -41.3 | 178.8 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | V49 V50 R51 A55 R56 V57 | V49-S53 WeakPolarHBondContact O-CB 3.5Å; V49-S53 PolarHBondContact O-N 3.01Å; V49-S53 PolarHBondContact O-OG 3.35Å; V50-S53 WeakPolarHBondContact O-CA 3.46Å; V50-S53 PolarHBondContact O-N 3.35Å; R51-S53 VanDerWaalsContact C-N 3.25Å; R51-S53 PolarHBondContact O-N 3.47Å; S53-A55 VanDerWaalsContact C-N 3.31Å; S53-A55 PolarHBondContact O-N 2.89Å; S53-R56 WeakPolarHBondContact O-CB 3.46Å; S53-R56 PolarHBondContact O-N 2.93Å; S53-R56 VanDerWaalsContact O-N 3.12Å; S53-R56 PolarHBondContact OG-NH1 3.22Å; S53-V57 PolarHBondContact O-N 2.97Å |
| 54 | I | 96 | Very high | 94.9 | Very high | 22 Ų | 22 | 60 Ų | 60 | 11% | 0.113 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -53.4 | -49.5 | 168.8 | -69.8 | 170.6 | 0 | 0 | 0 | 110.5 | L21 L24 K25 L28 V50 R51 R56 V57 L58 | L21-I54 HydrophobicContact CD1-CB 4.49Å; L21-I54 HydrophobicContact CD1-CG2 3.8Å; L24-I54 HydrophobicContact CB-CD1 4.26Å; L24-I54 HydrophobicContact CB-CG1 3.65Å; L24-I54 HydrophobicContact CD1-CG1 4.36Å; K25-I54 HydrophobicContact CG-CD1 4.37Å; L28-I54 HydrophobicContact CB-CD1 4.19Å; L28-I54 HydrophobicContact CD2-CD1 3.74Å; V50-I54 HydrophobicContact CG1-CD1 4.14Å; V50-I54 HydrophobicContact CG1-CG1 4.49Å; V50-I54 WeakPolarHBondContact O-CG1 3.15Å; V50-I54 PolarHBondContact O-N 3.44Å; R51-I54 PolarHBondContact O-N 2.92Å; I54-R56 VanDerWaalsContact C-N 3.29Å; I54-R56 PolarHBondContact O-N 3.23Å; I54-V57 PolarHBondContact O-N 2.99Å; I54-L58 HydrophobicContact CG2-CD1 4.03Å; I54-L58 PolarHBondContact O-N 3.02Å |
| 55 | A | 96.9 | Very high | 95.2 | Very high | 50 Ų | 50 | 62 Ų | 62 | 41% | 0.413 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.8 | -38 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | R51 S53 T59 | R51-A55 PolarHBondContact O-N 3.01Å; R51-A55 VanDerWaalsContact O-N 3.12Å; S53-A55 VanDerWaalsContact C-N 3.31Å; S53-A55 PolarHBondContact O-N 2.89Å; A55-T59 WeakPolarHBondContact O-CB 3.37Å; A55-T59 PolarHBondContact O-N 3.34Å; A55-T59 PolarHBondContact O-OG1 3.23Å |
| 56 | R | 95.9 | Very high | 95.5 | Very high | 55 Ų | 55 | 63.7 Ų | 63.7 | 21% | 0.208 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 175.6 | -73.9 | -178.4 | -150.7 | 111.2 | 16.3 | 112.1 | K3 I4 L9 K52 S53 I54 T59 V60 | K3-R56 VanDerWaalsContact CE-NH2 3.31Å; K3-R56 VanDerWaalsContact CG-NH1 3.3Å; I4-R56 VanDerWaalsContact O-CD 3.27Å; I4-R56 WeakPolarHBondContact O-CD 3.47Å; I4-R56 PolarHBondContact O-NH1 2.84Å; L9-R56 HydrophobicContact CD1-CB 4.44Å; K52-R56 WeakPolarHBondContact O-CG 3.45Å; K52-R56 PolarHBondContact O-N 2.98Å; K52-R56 VanDerWaalsContact O-N 3.16Å; S53-R56 WeakPolarHBondContact O-CB 3.46Å; S53-R56 PolarHBondContact O-N 2.93Å; S53-R56 VanDerWaalsContact O-N 3.12Å; S53-R56 PolarHBondContact OG-NH1 3.22Å; I54-R56 VanDerWaalsContact C-N 3.29Å; I54-R56 PolarHBondContact O-N 3.23Å; R56-T59 WeakPolarHBondContact O-CB 3.49Å; R56-T59 PolarHBondContact O-N 3.38Å; R56-V60 WeakPolarHBondContact O-CG2 3.39Å; R56-V60 PolarHBondContact O-N 2.77Å |
| 57 | V | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.7 | -50.2 | 178 | 175.8 | 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 3.78Å; L9-V57 HydrophobicContact CD2-CG2 4.17Å; L17-V57 HydrophobicContact CB-CG1 4.37Å; L17-V57 WeakPolarHBondContact O-CG1 3.48Å; L21-V57 HydrophobicContact CB-CG1 4.07Å; L21-V57 HydrophobicContact CD1-CG1 4.42Å; L24-V57 HydrophobicContact CD1-CG2 4.12Å; S53-V57 PolarHBondContact O-N 2.97Å; I54-V57 PolarHBondContact O-N 2.99Å; V57-T59 VanDerWaalsContact C-N 3.28Å; V57-T59 PolarHBondContact O-N 3.5Å; V57-V60 PolarHBondContact O-N 3.35Å; V57-V60 VanDerWaalsContact O-N 3.17Å; V57-I61 HydrophobicContact CG1-CD1 3.99Å; V57-I61 WeakPolarHBondContact O-CG1 3.35Å; V57-I61 PolarHBondContact O-N 3.49Å |
| 58 | L | 97.1 | Very high | 95.6 | Very high | 72 Ų | 72 | 67.5 Ų | 67.5 | 38% | 0.377 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.5 | -39.2 | 175.7 | -72 | 172.7 | 0 | 0 | 0 | 112.6 | L21 I54 I61 N62 | L21-L58 HydrophobicContact CD1-CD2 4.17Å; L21-L58 HydrophobicContact CD1-CG 3.98Å; L21-L58 HydrophobicContact CD2-CD2 3.64Å; L21-L58 HydrophobicContact CD2-CG 4.37Å; I54-L58 HydrophobicContact CG2-CD1 4.03Å; I54-L58 PolarHBondContact O-N 3.02Å; L58-I61 PolarHBondContact O-N 3.03Å; L58-N62 WeakPolarHBondContact O-CB 3.37Å; L58-N62 VanDerWaalsContact O-CG 3.29Å; L58-N62 PolarHBondContact O-N 3.25Å; L58-N62 PolarHBondContact O-ND2 3.17Å |
| 59 | T | 96.8 | Very high | 95.8 | Very high | 71 Ų | 71 | 62.3 Ų | 62.3 | 44% | 0.436 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 177.5 | -60 | 0 | 0 | 0 | 0 | 111.4 | A55 R56 V57 N62 Q63 | A55-T59 WeakPolarHBondContact O-CB 3.37Å; A55-T59 PolarHBondContact O-N 3.34Å; A55-T59 PolarHBondContact O-OG1 3.23Å; R56-T59 WeakPolarHBondContact O-CB 3.49Å; R56-T59 PolarHBondContact O-N 3.38Å; V57-T59 VanDerWaalsContact C-N 3.28Å; V57-T59 PolarHBondContact O-N 3.5Å; T59-N62 PolarHBondContact O-N 2.87Å; T59-Q63 HydrophobicContact CG2-CG 4.42Å; T59-Q63 WeakPolarHBondContact O-CB 3.47Å; T59-Q63 VanDerWaalsContact O-CG 3.28Å; T59-Q63 WeakPolarHBondContact O-CG 3.41Å; T59-Q63 PolarHBondContact O-N 3.05Å |
| 60 | V | 96.5 | Very high | 95.8 | Very high | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 179.5 | 174.1 | 0 | 0 | 0 | 0 | 111 | A6 L9 R10 L17 R56 V57 N62 Q63 T64 | A6-V60 HydrophobicContact CB-CG2 4.42Å; L9-V60 HydrophobicContact CB-CB 4.37Å; L9-V60 HydrophobicContact CB-CG1 4.13Å; L9-V60 HydrophobicContact CB-CG2 4.12Å; L9-V60 HydrophobicContact CD1-CG2 4.14Å; R10-V60 HydrophobicContact CG-CG1 4.18Å; L17-V60 HydrophobicContact CD1-CG1 4.4Å; R56-V60 WeakPolarHBondContact O-CG2 3.39Å; R56-V60 PolarHBondContact O-N 2.77Å; V57-V60 PolarHBondContact O-N 3.35Å; V57-V60 VanDerWaalsContact O-N 3.17Å; V60-N62 VanDerWaalsContact C-N 3.32Å; V60-N62 PolarHBondContact O-N 3.16Å; V60-Q63 PolarHBondContact O-N 3.32Å; V60-T64 WeakPolarHBondContact O-CG2 3.39Å; V60-T64 PolarHBondContact O-N 2.69Å; V60-T64 PolarHBondContact O-OG1 3.12Å |
| 61 | I | 96.4 | Very high | 95.9 | Very high | 15 Ų | 15 | 72.5 Ų | 72.5 | 8% | 0.077 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.6 | -46 | 173.9 | -66 | 170 | 0 | 0 | 0 | 110.8 | L17 L18 V57 L58 Q63 T64 Q65 | L17-I61 HydrophobicContact CB-CD1 3.94Å; L17-I61 HydrophobicContact CB-CG1 3.93Å; L17-I61 HydrophobicContact CD1-CG1 3.91Å; L18-I61 HydrophobicContact CD2-CD1 4.25Å; V57-I61 HydrophobicContact CG1-CD1 3.99Å; V57-I61 WeakPolarHBondContact O-CG1 3.35Å; V57-I61 PolarHBondContact O-N 3.49Å; L58-I61 PolarHBondContact O-N 3.03Å; I61-Q63 PolarHBondContact O-N 3.13Å; I61-T64 PolarHBondContact O-N 3.31Å; I61-T64 PolarHBondContact O-OG1 3.05Å; I61-Q65 WeakPolarHBondContact O-CB 3.41Å; I61-Q65 PolarHBondContact O-N 3.02Å |
| 62 | N | 96.1 | Very high | 95.9 | Very high | 83 Ų | 83 | 71 Ų | 71 | 44% | 0.444 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.5 | -34.8 | 179 | -76.6 | -27.3 | 0 | 0 | 0 | 112.7 | L58 T59 V60 K66 | L58-N62 WeakPolarHBondContact O-CB 3.37Å; L58-N62 VanDerWaalsContact O-CG 3.29Å; L58-N62 PolarHBondContact O-N 3.25Å; L58-N62 PolarHBondContact O-ND2 3.17Å; T59-N62 PolarHBondContact O-N 2.87Å; V60-N62 VanDerWaalsContact C-N 3.32Å; V60-N62 PolarHBondContact O-N 3.16Å; N62-K66 WeakPolarHBondContact O-CB 3.41Å; N62-K66 WeakPolarHBondContact O-CG 3.48Å; N62-K66 PolarHBondContact O-N 3.21Å |
| 63 | Q | 95.3 | Very high | 96 | Very high | 88 Ų | 88 | 69.1 Ų | 69.1 | 41% | 0.411 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63 | -51.3 | 175.3 | -79.2 | 175.9 | -1.4 | 0 | 0 | 110.8 | T59 V60 I61 Q65 K66 E67 | T59-Q63 HydrophobicContact CG2-CG 4.42Å; T59-Q63 WeakPolarHBondContact O-CB 3.47Å; T59-Q63 VanDerWaalsContact O-CG 3.28Å; T59-Q63 WeakPolarHBondContact O-CG 3.41Å; T59-Q63 PolarHBondContact O-N 3.05Å; V60-Q63 PolarHBondContact O-N 3.32Å; I61-Q63 PolarHBondContact O-N 3.13Å; Q63-Q65 PolarHBondContact O-N 3.31Å; Q63-K66 PolarHBondContact O-N 2.96Å; Q63-E67 WeakPolarHBondContact O-CB 3.44Å; Q63-E67 PolarHBondContact O-N 3.12Å |
| 64 | T | 94.7 | Very high | 95.9 | Very high | 58 Ų | 58 | 77.2 Ų | 77.2 | 36% | 0.356 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | -179.3 | 56.9 | 0 | 0 | 0 | 0 | 111.8 | V60 I61 E67 N68 | V60-T64 WeakPolarHBondContact O-CG2 3.39Å; V60-T64 PolarHBondContact O-N 2.69Å; V60-T64 PolarHBondContact O-OG1 3.12Å; I61-T64 PolarHBondContact O-N 3.31Å; I61-T64 PolarHBondContact O-OG1 3.05Å; T64-E67 PolarHBondContact O-N 3.48Å; T64-N68 WeakPolarHBondContact O-CB 3.47Å; T64-N68 VanDerWaalsContact O-CG 3.3Å; T64-N68 PolarHBondContact O-N 3.41Å; T64-N68 PolarHBondContact O-ND2 2.89Å |
| 65 | Q | 94.5 | Very high | 95.8 | Very high | 100 Ų | 100 | 79.9 Ų | 79.9 | 47% | 0.467 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 174.2 | -177.1 | 179 | -7.6 | 0 | 0 | 111.8 | I61 Q63 E67 N68 L69 | I61-Q65 WeakPolarHBondContact O-CB 3.41Å; I61-Q65 PolarHBondContact O-N 3.02Å; Q63-Q65 PolarHBondContact O-N 3.31Å; Q65-E67 VanDerWaalsContact C-N 3.32Å; Q65-E67 PolarHBondContact O-N 2.96Å; Q65-N68 PolarHBondContact O-N 2.91Å; Q65-L69 HydrophobicContact CG-CD1 4.22Å; Q65-L69 VanDerWaalsContact O-CG 3.31Å; Q65-L69 WeakPolarHBondContact O-CG 3.41Å; Q65-L69 PolarHBondContact O-N 3.41Å |
| 66 | K | 95.3 | Very high | 95.8 | Very high | 116 Ų | 116 | 81.7 Ų | 81.7 | 50% | 0.504 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.1 | -35.7 | 178.6 | -77.4 | -175.8 | 178.7 | -177.8 | 0 | 112.3 | N62 Q63 R70 | N62-K66 WeakPolarHBondContact O-CB 3.41Å; N62-K66 WeakPolarHBondContact O-CG 3.48Å; N62-K66 PolarHBondContact O-N 3.21Å; Q63-K66 PolarHBondContact O-N 2.96Å; K66-R70 WeakPolarHBondContact O-CB 3.36Å; K66-R70 VanDerWaalsContact O-CG 3.23Å; K66-R70 WeakPolarHBondContact O-CG 3.36Å; K66-R70 PolarHBondContact O-N 2.97Å |
| 67 | E | 94.9 | Very high | 95.7 | Very high | 97 Ų | 97 | 87.2 Ų | 87.2 | 45% | 0.453 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 175.4 | -168.4 | -171.1 | 152.7 | 0 | 0 | 111.3 | Q63 T64 Q65 L69 R70 K71 | Q63-E67 WeakPolarHBondContact O-CB 3.44Å; Q63-E67 PolarHBondContact O-N 3.12Å; T64-E67 PolarHBondContact O-N 3.48Å; Q65-E67 VanDerWaalsContact C-N 3.32Å; Q65-E67 PolarHBondContact O-N 2.96Å; E67-L69 VanDerWaalsContact C-N 3.34Å; E67-L69 PolarHBondContact O-N 3.27Å; E67-R70 WeakPolarHBondContact O-CB 3.33Å; E67-R70 PolarHBondContact O-N 2.78Å; E67-R70 VanDerWaalsContact O-N 3.13Å; E67-K71 WeakPolarHBondContact O-CG 3.32Å; E67-K71 PolarHBondContact O-N 3.12Å; E67-K71 WeakPolarHBondContact OE1-CE 3.47Å; E67-K71 IonicContact OE1-NZ 3.54Å; E67-K71 PolarHBondContact OE1-NZ 3.26Å |
| 68 | N | 95.1 | Very high | 95.5 | Very high | 97 Ų | 97 | 95.1 Ų | 95.1 | 52% | 0.519 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 177.2 | -70.1 | -17.9 | 0 | 0 | 0 | 111.8 | T64 Q65 R70 K71 F72 | T64-N68 WeakPolarHBondContact O-CB 3.47Å; T64-N68 VanDerWaalsContact O-CG 3.3Å; T64-N68 PolarHBondContact O-N 3.41Å; T64-N68 PolarHBondContact O-ND2 2.89Å; Q65-N68 PolarHBondContact O-N 2.91Å; N68-R70 PolarHBondContact O-N 3.4Å; N68-K71 PolarHBondContact O-N 2.97Å; N68-F72 WeakPolarHBondContact O-CB 3.48Å; N68-F72 PolarHBondContact O-N 3.5Å |
| 69 | L | 96.2 | Very high | 95.4 | Very high | 66 Ų | 66 | 95.5 Ų | 95.5 | 35% | 0.346 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 173.3 | -70.4 | 172 | 0 | 0 | 0 | 112 | Q65 E67 K71 F72 Y73 L83 | Q65-L69 HydrophobicContact CG-CD1 4.22Å; Q65-L69 VanDerWaalsContact O-CG 3.31Å; Q65-L69 WeakPolarHBondContact O-CG 3.41Å; Q65-L69 PolarHBondContact O-N 3.41Å; E67-L69 VanDerWaalsContact C-N 3.34Å; E67-L69 PolarHBondContact O-N 3.27Å; L69-K71 VanDerWaalsContact C-N 3.33Å; L69-K71 PolarHBondContact O-N 3Å; L69-F72 PolarHBondContact O-N 2.8Å; L69-Y73 HydrophobicContact CD2-CE2 4.35Å; L69-Y73 VanDerWaalsContact O-CD2 3.31Å; L69-Y73 WeakPolarHBondContact O-CD2 3.29Å; L69-Y73 PolarHBondContact O-N 3.37Å; L69-L83 HydrophobicContact CB-CD1 3.98Å |
| 70 | R | 95.9 | Very high | 95.4 | Very high | 147 Ų | 147 | 94.5 Ų | 94.5 | 56% | 0.555 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.6 | -38.4 | 175.7 | -75.5 | 171.4 | -176.2 | -95.1 | -1.1 | 112.1 | K66 E67 N68 K74 L83 | K66-R70 WeakPolarHBondContact O-CB 3.36Å; K66-R70 VanDerWaalsContact O-CG 3.23Å; K66-R70 WeakPolarHBondContact O-CG 3.36Å; K66-R70 PolarHBondContact O-N 2.97Å; E67-R70 WeakPolarHBondContact O-CB 3.33Å; E67-R70 PolarHBondContact O-N 2.78Å; E67-R70 VanDerWaalsContact O-N 3.13Å; N68-R70 PolarHBondContact O-N 3.4Å; R70-K74 PolarHBondContact O-N 3Å; R70-K74 VanDerWaalsContact O-N 3.1Å; R70-L83 HydrophobicContact CG-CD2 4.03Å |
| 71 | K | 96.3 | Very high | 95.2 | Very high | 123 Ų | 123 | 100.2 Ų | 100.2 | 54% | 0.535 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.2 | -48.8 | 173.6 | -70.3 | 173.2 | -176.6 | 166.5 | 0 | 110.6 | E67 N68 L69 Y73 K74 | E67-K71 WeakPolarHBondContact O-CG 3.32Å; E67-K71 PolarHBondContact O-N 3.12Å; E67-K71 WeakPolarHBondContact OE1-CE 3.47Å; E67-K71 IonicContact OE1-NZ 3.54Å; E67-K71 PolarHBondContact OE1-NZ 3.26Å; N68-K71 PolarHBondContact O-N 2.97Å; L69-K71 VanDerWaalsContact C-N 3.33Å; L69-K71 PolarHBondContact O-N 3Å; K71-Y73 PolarHBondContact O-N 3.33Å; K71-K74 VanDerWaalsContact O-CB 3.23Å; K71-K74 WeakPolarHBondContact O-CB 3.43Å; K71-K74 PolarHBondContact O-N 3.15Å |
| 72 | F | 96.6 | Very high | 95 | Very high | 122 Ų | 122 | 105.1 Ų | 105.1 | 54% | 0.535 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.2 | -37.7 | 179.6 | 178.3 | -101.5 | 0 | 0 | 0 | 114.1 | N68 L69 K74 K76 | N68-F72 WeakPolarHBondContact O-CB 3.48Å; N68-F72 PolarHBondContact O-N 3.5Å; L69-F72 PolarHBondContact O-N 2.8Å; F72-K74 VanDerWaalsContact C-N 3.35Å; F72-K76 WeakPolarHBondContact O-CE 3.09Å; F72-K76 PolarHBondContact O-NZ 2.94Å |
| 73 | Y | 96.8 | Very high | 94.9 | Very high | 63 Ų | 63 | 102 Ų | 102 | 25% | 0.247 | 49% | 0.491 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 11.4 | 177.1 | -73.3 | -77.9 | 0 | 0 | 0 | 113.4 | L69 K71 G75 K76 K79 P80 L83 | L69-Y73 HydrophobicContact CD2-CE2 4.35Å; L69-Y73 VanDerWaalsContact O-CD2 3.31Å; L69-Y73 WeakPolarHBondContact O-CD2 3.29Å; L69-Y73 PolarHBondContact O-N 3.37Å; K71-Y73 PolarHBondContact O-N 3.33Å; Y73-G75 PolarHBondContact O-N 3.1Å; Y73-K76 HydrophobicContact CD1-CB 4.4Å; Y73-K76 HydrophobicContact CD1-CD 3.85Å; Y73-K76 HydrophobicContact CE1-CD 4.39Å; Y73-K76 PolarHBondContact O-N 3.26Å; Y73-K79 WeakPolarHBondContact O-CE 3.2Å; Y73-P80 HydrophobicContact CD2-CG 4.37Å; Y73-P80 HydrophobicContact CE1-CG 4.37Å; Y73-P80 HydrophobicContact CE2-CG 3.88Å; Y73-L83 HydrophobicContact CD2-CD1 3.87Å; Y73-L83 HydrophobicContact CG-CD1 4.46Å |
| 74 | K | 95.7 | Very high | 94.8 | Very high | 173 Ų | 173 | 103.5 Ų | 103.5 | 75% | 0.752 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -64.7 | 135.6 | 173.5 | -165.9 | 177.5 | 178.6 | -174.1 | 0 | 108.7 | R70 K71 F72 K76 | R70-K74 PolarHBondContact O-N 3Å; R70-K74 VanDerWaalsContact O-N 3.1Å; K71-K74 VanDerWaalsContact O-CB 3.23Å; K71-K74 WeakPolarHBondContact O-CB 3.43Å; K71-K74 PolarHBondContact O-N 3.15Å; F72-K74 VanDerWaalsContact C-N 3.35Å; K74-K76 PolarHBondContact O-N 3.44Å |
| 75 | G | 93.4 | Very high | 94.7 | Very high | 78 Ų | 78 | 105.3 Ų | 105.3 | 80% | 0.804 | 51% | 0.505 | S | S | * | . | S | Bend | trans | 73.6 | -21.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y73 K77 | Y73-G75 PolarHBondContact O-N 3.1Å; G75-K77 PolarHBondContact O-N 3.2Å |
| 76 | K | 96.1 | Very high | 94.7 | Very high | 88 Ų | 88 | 108.3 Ų | 108.3 | 38% | 0.383 | 52% | 0.517 | S | S | . | . | trans | -67.2 | 134 | 178.9 | -60.9 | -172.7 | -177.2 | 172.2 | 0 | 111.6 | F72 Y73 K74 K79 | F72-K76 WeakPolarHBondContact O-CE 3.09Å; F72-K76 PolarHBondContact O-NZ 2.94Å; Y73-K76 HydrophobicContact CD1-CB 4.4Å; Y73-K76 HydrophobicContact CD1-CD 3.85Å; Y73-K76 HydrophobicContact CE1-CD 4.39Å; Y73-K76 PolarHBondContact O-N 3.26Å; K74-K76 PolarHBondContact O-N 3.44Å; K76-K79 VanDerWaalsContact O-CE 3.3Å; K76-K79 WeakPolarHBondContact O-CE 3.38Å | ||
| 77 | K | 93.6 | Very high | 94.7 | Very high | 171 Ų | 171 | 108.8 Ų | 108.8 | 74% | 0.743 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -58.8 | -49.9 | 178.3 | -177.2 | 177.5 | -179.9 | 179.9 | 0 | 111.8 | G75 | G75-K77 PolarHBondContact O-N 3.2Š|
| 78 | Y | 93.4 | Very high | 94.8 | Very high | 166 Ų | 166 | 107.9 Ų | 107.9 | 65% | 0.651 | 52% | 0.52 | S | S | * | . | trans | -100.5 | 112.7 | -178 | -56.7 | -61.2 | 0 | 0 | 0 | 111 | ||||
| 79 | K | 94.3 | Very high | 94.8 | Very high | 81 Ų | 81 | 110.9 Ų | 110.9 | 35% | 0.352 | 52% | 0.524 | S | S | . | . | trans | -110.3 | 148.3 | 174.5 | -51.9 | -174.5 | -169.4 | -178 | 0 | 110.3 | Y73 K76 R84 | Y73-K79 WeakPolarHBondContact O-CE 3.2Å; K76-K79 VanDerWaalsContact O-CE 3.3Å; K76-K79 WeakPolarHBondContact O-CE 3.38Å; K79-R84 PolarHBondContact O-NE 3.44Å; K79-R84 PolarHBondContact O-NH2 2.96Å | ||
| 80 | P | 95.9 | Very high | 94.9 | Very high | 50 Ų | 50 | 111.3 Ų | 111.3 | 33% | 0.325 | 54% | 0.537 | S | S | . | . | trans | -51.9 | 146.1 | 170.1 | -26.3 | 33.7 | 0 | 0 | 0 | 112.3 | Y73 D82 L83 R84 | Y73-P80 HydrophobicContact CD2-CG 4.37Å; Y73-P80 HydrophobicContact CE1-CG 4.37Å; Y73-P80 HydrophobicContact CE2-CG 3.88Å; P80-D82 PolarHBondContact O-N 3.27Å; P80-D82 VanDerWaalsContact O-N 3.13Å; P80-L83 HydrophobicContact CG-CD1 4.35Å; P80-L83 PolarHBondContact O-N 3.46Å; P80-R84 PolarHBondContact O-N 3.05Å | ||
| 81 | L | 93.2 | Very high | 94.9 | Very high | 122 Ų | 122 | 109.8 Ų | 109.8 | 64% | 0.639 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -30.7 | -176.8 | -69 | 172.6 | 0 | 0 | 0 | 113.3 | L83 R84 | L81-L83 VanDerWaalsContact C-N 3.33Å; L81-L83 PolarHBondContact O-N 2.94Å; L81-R84 PolarHBondContact O-N 3.14Å |
| 82 | D | 91.8 | Very high | 94.8 | Very high | 118 Ų | 118 | 111.1 Ų | 111.1 | 63% | 0.631 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -25.6 | 179.2 | -67.6 | -32.4 | 0 | 0 | 0 | 114.2 | P80 K86 | P80-D82 PolarHBondContact O-N 3.27Å; P80-D82 VanDerWaalsContact O-N 3.13Å; D82-K86 IonicContact OD1-NZ 2.85Å |
| 83 | L | 94.1 | Very high | 94.7 | Very high | 18 Ų | 18 | 114.2 Ų | 114.2 | 9% | 0.094 | 55% | 0.548 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -10.4 | 178.9 | -59.4 | -177.3 | 0 | 0 | 0 | 112.5 | L69 R70 Y73 P80 L81 | L69-L83 HydrophobicContact CB-CD1 3.98Å; R70-L83 HydrophobicContact CG-CD2 4.03Å; Y73-L83 HydrophobicContact CD2-CD1 3.87Å; Y73-L83 HydrophobicContact CG-CD1 4.46Å; P80-L83 HydrophobicContact CG-CD1 4.35Å; P80-L83 PolarHBondContact O-N 3.46Å; L81-L83 VanDerWaalsContact C-N 3.33Å; L81-L83 PolarHBondContact O-N 2.94Å |
| 84 | R | 92.4 | Very high | 94.6 | Very high | 119 Ų | 119 | 116.6 Ų | 116.6 | 45% | 0.449 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -70.3 | 147.1 | 176.4 | -63.8 | -176.5 | -169.5 | -175.4 | 1.2 | 110.4 | K79 P80 L81 K86 | K79-R84 PolarHBondContact O-NE 3.44Å; K79-R84 PolarHBondContact O-NH2 2.96Å; P80-R84 PolarHBondContact O-N 3.05Å; L81-R84 PolarHBondContact O-N 3.14Å; R84-K86 PolarHBondContact O-N 3.25Å |
| 85 | P | 93.2 | Very high | 94.7 | Very high | 97 Ų | 97 | 113.5 Ų | 113.5 | 63% | 0.63 | 55% | 0.552 | S | S | * | * | trans | -54.3 | 128.7 | 171.4 | -24.7 | 34.3 | 0 | 0 | 0 | 111.2 | K87 | P85-K87 VanDerWaalsContact C-N 3.32Å; P85-K87 HydrophobicContact CB-CG 4.43Å; P85-K87 PolarHBondContact O-N 3.11Å | ||
| 86 | K | 94.3 | Very high | 94.8 | Very high | 162 Ų | 162 | 114.6 Ų | 114.6 | 70% | 0.704 | 54% | 0.54 | S | S | * | . | trans | -80.8 | 80.9 | 178.1 | -61.8 | -66.8 | -174.7 | -178.6 | 0 | 109.3 | D82 R84 | D82-K86 IonicContact OD1-NZ 2.85Å; R84-K86 PolarHBondContact O-N 3.25Å | ||
| 87 | K | 95.4 | Very high | 94.8 | Very high | 126 Ų | 126 | 119.1 Ų | 119.1 | 55% | 0.548 | 56% | 0.559 | S | S | . | * | trans | -99.4 | 165.2 | 169.9 | -61.6 | -176.1 | 179.8 | -175.9 | 0 | 110.8 | P85 M91 R92 | P85-K87 VanDerWaalsContact C-N 3.32Å; P85-K87 HydrophobicContact CB-CG 4.43Å; P85-K87 PolarHBondContact O-N 3.11Å; K87-M91 HydrophobicContact CB-CB 4.17Å; K87-M91 HydrophobicContact CD-CB 4.46Å; K87-R92 HydrophobicContact CB-CG 4.06Å; K87-R92 PolarHBondContact O-NH1 3.05Å | ||
| 88 | T | 96.6 | Very high | 94.9 | Very high | 78 Ų | 78 | 117.3 Ų | 117.3 | 48% | 0.479 | 55% | 0.553 | S | S | . | * | trans | -62.8 | 157.3 | 171.1 | 67.9 | 0 | 0 | 0 | 0 | 111 | A90 M91 R92 | T88-A90 VanDerWaalsContact C-N 3.28Å; T88-A90 PolarHBondContact O-N 2.98Å; T88-M91 HydrophobicContact CG2-SD 4.44Å; T88-M91 PolarHBondContact O-N 3.45Å; T88-M91 WeakPolarHBondContact OG1-CB 3.38Å; T88-M91 VanDerWaalsContact OG1-CG 3.25Å; T88-M91 WeakPolarHBondContact OG1-CG 3.45Å; T88-M91 PolarHBondContact OG1-N 3.03Å; T88-R92 WeakPolarHBondContact O-CG 3.35Å; T88-R92 PolarHBondContact O-N 3.43Å; T88-R92 VanDerWaalsContact O-N 3.15Å | ||
| 89 | R | 95.8 | Very high | 95 | Very high | 160 Ų | 160 | 113.3 Ų | 113.3 | 60% | 0.604 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.9 | -41 | 178.2 | -177 | -179.5 | -178.1 | 176.5 | 1.5 | 111.7 | R92 R93 | R89-R92 PolarHBondContact O-N 3.25Å; R89-R93 PolarHBondContact O-N 2.97Å |
| 90 | A | 97.3 | Very high | 95.1 | Very high | 76 Ų | 76 | 114.3 Ų | 114.3 | 63% | 0.628 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60 | -51.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T88 R92 R93 Q94 | T88-A90 VanDerWaalsContact C-N 3.28Å; T88-A90 PolarHBondContact O-N 2.98Å; A90-R92 PolarHBondContact O-N 3.37Å; A90-R92 VanDerWaalsContact O-N 3.16Å; A90-R93 PolarHBondContact O-N 2.88Å; A90-Q94 PolarHBondContact O-N 3.34Å |
| 91 | M | 96 | Very high | 95.1 | Very high | 115 Ų | 115 | 115.3 Ų | 115.3 | 57% | 0.567 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.8 | -25 | 178 | -72.1 | 174.3 | 175.8 | 0 | 0 | 114.1 | K87 T88 | K87-M91 HydrophobicContact CB-CB 4.17Å; K87-M91 HydrophobicContact CD-CB 4.46Å; T88-M91 HydrophobicContact CG2-SD 4.44Å; T88-M91 PolarHBondContact O-N 3.45Å; T88-M91 WeakPolarHBondContact OG1-CB 3.38Å; T88-M91 VanDerWaalsContact OG1-CG 3.25Å; T88-M91 WeakPolarHBondContact OG1-CG 3.45Å; T88-M91 PolarHBondContact OG1-N 3.03Å |
| 92 | R | 94.1 | Very high | 95.2 | Very high | 151 Ų | 151 | 115 Ų | 115 | 57% | 0.57 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -79.5 | -22.7 | 175 | -69.7 | -167.5 | -55.6 | -107.5 | 8.1 | 113.4 | K87 T88 R89 A90 | K87-R92 HydrophobicContact CB-CG 4.06Å; K87-R92 PolarHBondContact O-NH1 3.05Å; T88-R92 WeakPolarHBondContact O-CG 3.35Å; T88-R92 PolarHBondContact O-N 3.43Å; T88-R92 VanDerWaalsContact O-N 3.15Å; R89-R92 PolarHBondContact O-N 3.25Å; A90-R92 PolarHBondContact O-N 3.37Å; A90-R92 VanDerWaalsContact O-N 3.16Å |
| 93 | R | 94.9 | Very high | 95.4 | Very high | 186 Ų | 186 | 116.2 Ų | 116.2 | 70% | 0.702 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -96.9 | -16.8 | -178.9 | -73.7 | -175.5 | 168.7 | -165.7 | -9.4 | 112.9 | R89 A90 | R89-R93 PolarHBondContact O-N 2.97Å; A90-R93 PolarHBondContact O-N 2.88Å |
| 94 | Q | 96.1 | Very high | 95.5 | Very high | 114 Ų | 114 | 120 Ų | 120 | 53% | 0.533 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -59.4 | 149.2 | 172.6 | -173.1 | 176.6 | -6.9 | 0 | 0 | 110.6 | A90 E100 | A90-Q94 PolarHBondContact O-N 3.34Å; Q94-E100 PolarHBondContact NE2-OE1 2.98Å |
| 95 | L | 96.4 | Very high | 95.8 | Very high | 108 Ų | 108 | 123.1 Ų | 123.1 | 57% | 0.565 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 152.4 | 172.9 | -67.6 | 174.4 | 0 | 0 | 0 | 111.4 | E99 E100 | L95-E99 WeakPolarHBondContact CA-OE2 3.39Å; L95-E99 HydrophobicContact CB-CB 4.19Å; L95-E99 HydrophobicContact CD2-CB 4.32Å; L95-E99 WeakPolarHBondContact CD2-OE2 3.36Å; L95-E100 HydrophobicContact CB-CG 3.74Å; L95-E100 HydrophobicContact CD1-CG 4.49Å |
| 96 | N | 95.6 | Very high | 95.9 | Very high | 101 Ų | 101 | 127 Ų | 127 | 54% | 0.54 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -72 | 151.1 | 172 | -64.8 | -51.3 | 0 | 0 | 0 | 109.8 | H98 E99 E100 | N96-H98 PolarHBondContact O-N 3.17Å; N96-E99 HydrophobicContact CB-CG 4.23Å; N96-E99 PolarHBondContact N-OE2 3.24Å; N96-E99 PolarHBondContact ND2-OE1 3.11Å; N96-E99 WeakPolarHBondContact O-CA 3.46Å; N96-E99 WeakPolarHBondContact O-CB 3.37Å; N96-E99 PolarHBondContact O-N 2.99Å; N96-E100 PolarHBondContact O-N 3.15Å |
| 97 | K | 96.3 | Very high | 96 | Very high | 182 Ų | 182 | 122.9 Ų | 122.9 | 79% | 0.791 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -52.8 | -34.3 | 176.6 | -66.8 | -171 | 175.3 | -171.7 | 0 | 113.3 | S101 | K97-S101 VanDerWaalsContact O-CB 3.26Å; K97-S101 WeakPolarHBondContact O-CB 3.31Å; K97-S101 PolarHBondContact O-N 3.34Å; K97-S101 PolarHBondContact O-OG 3.14Å |
| 98 | H | 96.4 | Very high | 96 | Very high | 133 Ų | 133 | 121.5 Ų | 121.5 | 62% | 0.616 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.5 | -49.5 | 175.2 | 178.9 | 59.5 | 0 | 0 | 0 | 111.3 | N96 E100 S101 L102 | N96-H98 PolarHBondContact O-N 3.17Å; H98-E100 PolarHBondContact O-N 3.47Å; H98-S101 WeakPolarHBondContact CA-OG 3.49Å; H98-S101 PolarHBondContact O-N 3.47Å; H98-S101 VanDerWaalsContact O-N 3.1Å; H98-S101 PolarHBondContact O-OG 3.4Å; H98-L102 WeakPolarHBondContact O-CG 3.34Å; H98-L102 PolarHBondContact O-N 2.85Å; H98-L102 VanDerWaalsContact O-N 3.15Å |
| 99 | E | 95.8 | Very high | 96 | Very high | 82 Ų | 82 | 126.6 Ų | 126.6 | 38% | 0.383 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.1 | -43.9 | 177.6 | -65.7 | 159.7 | -173.6 | 0 | 0 | 111 | L95 N96 S101 L102 | L95-E99 WeakPolarHBondContact CA-OE2 3.39Å; L95-E99 HydrophobicContact CB-CB 4.19Å; L95-E99 HydrophobicContact CD2-CB 4.32Å; L95-E99 WeakPolarHBondContact CD2-OE2 3.36Å; N96-E99 HydrophobicContact CB-CG 4.23Å; N96-E99 PolarHBondContact N-OE2 3.24Å; N96-E99 PolarHBondContact ND2-OE1 3.11Å; N96-E99 WeakPolarHBondContact O-CA 3.46Å; N96-E99 WeakPolarHBondContact O-CB 3.37Å; N96-E99 PolarHBondContact O-N 2.99Å; E99-S101 VanDerWaalsContact C-N 3.25Å; E99-S101 PolarHBondContact O-N 2.94Å; E99-L102 WeakPolarHBondContact O-CB 3.28Å; E99-L102 PolarHBondContact O-N 2.94Å |
| 100 | E | 95.9 | Very high | 96.1 | Very high | 102 Ų | 102 | 124.9 Ų | 124.9 | 48% | 0.477 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62 | -32.8 | 174.8 | -67.8 | 179.9 | 163.4 | 0 | 0 | 112.5 | Q94 L95 N96 H98 L102 | Q94-E100 PolarHBondContact NE2-OE1 2.98Å; L95-E100 HydrophobicContact CB-CG 3.74Å; L95-E100 HydrophobicContact CD1-CG 4.49Å; N96-E100 PolarHBondContact O-N 3.15Å; H98-E100 PolarHBondContact O-N 3.47Å; E100-L102 VanDerWaalsContact C-N 3.35Å |
| 101 | S | 95.7 | Very high | 95.9 | Very high | 71 Ų | 71 | 123.4 Ų | 123.4 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -82.7 | -8.2 | 179.5 | 73.2 | 0 | 0 | 0 | 0 | 114.3 | K97 H98 E99 R103 | K97-S101 VanDerWaalsContact O-CB 3.26Å; K97-S101 WeakPolarHBondContact O-CB 3.31Å; K97-S101 PolarHBondContact O-N 3.34Å; K97-S101 PolarHBondContact O-OG 3.14Å; H98-S101 WeakPolarHBondContact CA-OG 3.49Å; H98-S101 PolarHBondContact O-N 3.47Å; H98-S101 VanDerWaalsContact O-N 3.1Å; H98-S101 PolarHBondContact O-OG 3.4Å; E99-S101 VanDerWaalsContact C-N 3.25Å; E99-S101 PolarHBondContact O-N 2.94Å; S101-R103 PolarHBondContact O-N 3.32Å; S101-R103 VanDerWaalsContact O-N 3.17Å |
| 102 | L | 95.7 | Very high | 95.8 | Very high | 115 Ų | 115 | 124.9 Ų | 124.9 | 60% | 0.602 | 57% | 0.574 | S | S | * | * | trans | -63.4 | 120.4 | -178.5 | -73.2 | 174.6 | 0 | 0 | 0 | 109.9 | H98 E99 E100 | H98-L102 WeakPolarHBondContact O-CG 3.34Å; H98-L102 PolarHBondContact O-N 2.85Å; H98-L102 VanDerWaalsContact O-N 3.15Å; E99-L102 WeakPolarHBondContact O-CB 3.28Å; E99-L102 PolarHBondContact O-N 2.94Å; E100-L102 VanDerWaalsContact C-N 3.35Å | ||
| 103 | R | 95.5 | Very high | 95.9 | Very high | 145 Ų | 145 | 122.7 Ų | 122.7 | 55% | 0.547 | 57% | 0.573 | S | S | . | * | trans | -113.9 | 143.2 | 174.7 | -64.5 | -174.4 | -173.7 | -176.9 | 2.3 | 109.3 | S101 Q107 Q108 D111 | S101-R103 PolarHBondContact O-N 3.32Å; S101-R103 VanDerWaalsContact O-N 3.17Å; R103-Q107 HydrophobicContact CB-CB 4.37Å; R103-Q107 HydrophobicContact CB-CG 4.48Å; R103-Q108 HydrophobicContact CB-CG 3.8Å; R103-Q108 PolarHBondContact O-NE2 3.16Å; R103-D111 VanDerWaalsContact CD-OD2 3.29Å; R103-D111 WeakPolarHBondContact CD-OD2 3.47Å; R103-D111 IonicContact CZ-OD2 3.76Å; R103-D111 IonicContact NE-OD2 3.99Å; R103-D111 VanDerWaalsContact NH1-CG 3.31Å; R103-D111 IonicContact NH1-OD2 2.72Å; R103-D111 PolarHBondContact NH1-OD2 3.15Å | ||
| 104 | T | 96.9 | Very high | 95.9 | Very high | 97 Ų | 97 | 122.1 Ų | 122.1 | 60% | 0.595 | 57% | 0.572 | S | S | * | * | trans | -63.8 | 152.1 | 172.9 | 65.2 | 0 | 0 | 0 | 0 | 110.1 | K106 Q107 Q108 | T104-K106 PolarHBondContact O-N 3.4Å; T104-K106 VanDerWaalsContact O-N 3.14Å; T104-Q107 PolarHBondContact O-N 3.32Å; T104-Q107 WeakPolarHBondContact OG1-CB 3.39Å; T104-Q107 PolarHBondContact OG1-N 3.02Å; T104-Q108 WeakPolarHBondContact O-CG 3.34Å; T104-Q108 PolarHBondContact O-N 3.38Å | ||
| 105 | K | 96.9 | Very high | 95.8 | Very high | 184 Ų | 184 | 119.8 Ų | 119.8 | 80% | 0.8 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -54.4 | -35.5 | 177.6 | -68.2 | -174.3 | 177.9 | -179.3 | 0 | 112.3 | R109 | K105-R109 PolarHBondContact O-N 2.89Å; K105-R109 VanDerWaalsContact O-N 3.12Å |
| 106 | K | 97.2 | Very high | 95.6 | Very high | 180 Ų | 180 | 124 Ų | 124 | 78% | 0.783 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.1 | -47.5 | 174.7 | -175.2 | 178.7 | -180 | 179.2 | 0 | 111.8 | T104 R109 K110 | T104-K106 PolarHBondContact O-N 3.4Å; T104-K106 VanDerWaalsContact O-N 3.14Å; K106-R109 PolarHBondContact O-N 3.42Å; K106-K110 PolarHBondContact O-N 3.07Å |
| 107 | Q | 95.8 | Very high | 95.5 | Very high | 75 Ų | 75 | 128.8 Ų | 128.8 | 35% | 0.35 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.3 | -42.8 | 178.7 | -171.5 | 62.2 | 35.3 | 0 | 0 | 111.5 | R103 T104 R109 K110 D111 | R103-Q107 HydrophobicContact CB-CB 4.37Å; R103-Q107 HydrophobicContact CB-CG 4.48Å; T104-Q107 PolarHBondContact O-N 3.32Å; T104-Q107 WeakPolarHBondContact OG1-CB 3.39Å; T104-Q107 PolarHBondContact OG1-N 3.02Å; Q107-R109 VanDerWaalsContact C-N 3.32Å; Q107-R109 PolarHBondContact O-N 3.26Å; Q107-K110 WeakPolarHBondContact O-CB 3.48Å; Q107-K110 PolarHBondContact O-N 3Å; Q107-K110 VanDerWaalsContact O-N 3.1Å; Q107-D111 PolarHBondContact NE2-OD1 2.87Å; Q107-D111 PolarHBondContact O-N 3.39Å |
| 108 | Q | 95.9 | Very high | 95.4 | Very high | 97 Ų | 97 | 130.3 Ų | 130.3 | 45% | 0.453 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -55.6 | -46.6 | 175.6 | -69.8 | 177 | -2.4 | 0 | 0 | 111.9 | R103 T104 D111 L112 | R103-Q108 HydrophobicContact CB-CG 3.8Å; R103-Q108 PolarHBondContact O-NE2 3.16Å; T104-Q108 WeakPolarHBondContact O-CG 3.34Å; T104-Q108 PolarHBondContact O-N 3.38Å; Q108-D111 PolarHBondContact O-N 3.45Å; Q108-L112 WeakPolarHBondContact O-CB 3.41Å; Q108-L112 PolarHBondContact O-N 2.96Å |
| 109 | R | 96.4 | Very high | 95.3 | Very high | 185 Ų | 185 | 132.4 Ų | 132.4 | 70% | 0.698 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61.3 | -45.4 | 176 | -174.4 | 168.3 | -175.8 | 170.4 | 1.9 | 111.2 | K105 K106 Q107 D111 L112 L113 | K105-R109 PolarHBondContact O-N 2.89Å; K105-R109 VanDerWaalsContact O-N 3.12Å; K106-R109 PolarHBondContact O-N 3.42Å; Q107-R109 VanDerWaalsContact C-N 3.32Å; Q107-R109 PolarHBondContact O-N 3.26Å; R109-D111 PolarHBondContact O-N 3.02Å; R109-L112 PolarHBondContact O-N 3.33Å; R109-L113 HydrophobicContact CG-CD1 3.54Å; R109-L113 VanDerWaalsContact O-CD1 3.29Å; R109-L113 WeakPolarHBondContact O-CD1 3.34Å; R109-L113 PolarHBondContact O-N 3.12Å |
| 110 | K | 96.6 | Very high | 95.2 | Very high | 123 Ų | 123 | 133 Ų | 133 | 54% | 0.535 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -59.8 | -45.7 | 177.6 | -172.4 | -178.4 | 178.6 | -178.2 | 0 | 112.1 | K106 Q107 L112 L113 Y114 | K106-K110 PolarHBondContact O-N 3.07Å; Q107-K110 WeakPolarHBondContact O-CB 3.48Å; Q107-K110 PolarHBondContact O-N 3Å; Q107-K110 VanDerWaalsContact O-N 3.1Å; K110-L112 VanDerWaalsContact C-N 3.31Å; K110-L112 PolarHBondContact O-N 3.15Å; K110-L113 PolarHBondContact O-N 3.24Å; K110-Y114 HydrophobicContact CG-CD2 4.06Å; K110-Y114 PolarHBondContact O-N 3.08Å |
| 111 | D | 94.4 | Very high | 94.9 | Very high | 46 Ų | 46 | 134.4 Ų | 134.4 | 25% | 0.246 | 65% | 0.646 | C | S | . | * | H | α-helix | trans | -66.4 | -33.9 | -179 | -62 | -30.9 | 0 | 0 | 0 | 112.4 | R103 Q107 Q108 R109 S115 | R103-D111 VanDerWaalsContact CD-OD2 3.29Å; R103-D111 WeakPolarHBondContact CD-OD2 3.47Å; R103-D111 IonicContact CZ-OD2 3.76Å; R103-D111 IonicContact NE-OD2 3.99Å; R103-D111 VanDerWaalsContact NH1-CG 3.31Å; R103-D111 IonicContact NH1-OD2 2.72Å; R103-D111 PolarHBondContact NH1-OD2 3.15Å; Q107-D111 PolarHBondContact NE2-OD1 2.87Å; Q107-D111 PolarHBondContact O-N 3.39Å; Q108-D111 PolarHBondContact O-N 3.45Å; R109-D111 PolarHBondContact O-N 3.02Å; D111-S115 WeakPolarHBondContact O-CA 3.41Å; D111-S115 PolarHBondContact O-N 3.03Å |
| 112 | L | 93.4 | Very high | 94.4 | Very high | 146 Ų | 146 | 140.4 Ų | 140.4 | 76% | 0.764 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -65.9 | -47.9 | 172.7 | -96.2 | 151.8 | 0 | 0 | 0 | 111.9 | Q108 R109 K110 | Q108-L112 WeakPolarHBondContact O-CB 3.41Å; Q108-L112 PolarHBondContact O-N 2.96Å; R109-L112 PolarHBondContact O-N 3.33Å; K110-L112 VanDerWaalsContact C-N 3.31Å; K110-L112 PolarHBondContact O-N 3.15Å |
| 113 | L | 96.3 | Very high | 93.4 | Very high | 105 Ų | 105 | 142.7 Ų | 142.7 | 55% | 0.55 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -69 | -42.7 | -179.1 | -87.5 | 134.4 | 0 | 0 | 0 | 112.4 | R109 K110 | R109-L113 HydrophobicContact CG-CD1 3.54Å; R109-L113 VanDerWaalsContact O-CD1 3.29Å; R109-L113 WeakPolarHBondContact O-CD1 3.34Å; R109-L113 PolarHBondContact O-N 3.12Å; K110-L113 PolarHBondContact O-N 3.24Å |
| 114 | Y | 94.2 | Very high | 93.3 | Very high | 174 Ų | 174 | 142.6 Ų | 142.6 | 68% | 0.682 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | 56.8 | -173.6 | -57.3 | -74.7 | 0 | 0 | 0 | 111.3 | K110 | K110-Y114 HydrophobicContact CG-CD2 4.06Å; K110-Y114 PolarHBondContact O-N 3.08Å |
| 115 | S | 94.2 | Very high | 93.1 | Very high | 65 Ų | 65 | 145 Ų | 145 | 46% | 0.455 | 71% | 0.712 | S | S | . | * | trans | -64.2 | 140.7 | 173.6 | 59.8 | 0 | 0 | 0 | 0 | 110.7 | D111 R117 | D111-S115 WeakPolarHBondContact O-CA 3.41Å; D111-S115 PolarHBondContact O-N 3.03Å; S115-R117 PolarHBondContact O-N 3.21Å | ||
| 116 | M | 93 | Very high | 92.9 | Very high | 196 Ų | 196 | 142.8 Ų | 142.8 | 97% | 0.966 | 71% | 0.708 | S | S | * | * | trans | -64.3 | 107.1 | 174.1 | -78.2 | -125.2 | -66.9 | 0 | 0 | 109.2 | ||||
| 117 | R | 92.4 | Very high | 92.7 | Very high | 201 Ų | 201 | 140.6 Ų | 140.6 | 76% | 0.758 | 70% | 0.703 | S | S | * | * | trans | -88.2 | 137.6 | 175.5 | -60.8 | -174.2 | -176.5 | -172.4 | 0.9 | 108.9 | S115 F119 | S115-R117 PolarHBondContact O-N 3.21Å; R117-F119 WeakPolarHBondContact O-CD1 3.34Å; R117-F119 PolarHBondContact O-N 3.3Å | ||
| 118 | K | 94.9 | Very high | 92.5 | Very high | 215 Ų | 215 | 144.8 Ų | 144.8 | 94% | 0.935 | 73% | 0.725 | S | S | * | * | trans | -80.3 | 118.6 | 171.7 | -167.3 | 175.9 | -178.3 | -178.3 | 0 | 108.2 | ||||
| 119 | F | 93.8 | Very high | 92.3 | Very high | 176 Ų | 176 | 147.9 Ų | 147.9 | 77% | 0.772 | 74% | 0.743 | S | S | * | * | trans | -139.3 | 163.4 | 175.6 | 69.5 | -86 | 0 | 0 | 0 | 110.1 | R117 | R117-F119 WeakPolarHBondContact O-CD1 3.34Å; R117-F119 PolarHBondContact O-N 3.3Å | ||
| 120 | A | 93.5 | Very high | 92 | Very high | 94 Ų | 94 | 145.3 Ų | 145.3 | 78% | 0.777 | 75% | 0.747 | S | S | * | * | trans | -138.9 | 153.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 121 | V | 91.2 | Very high | 91.6 | Very high | 132 Ų | 132 | 147 Ų | 147 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | -101.3 | 134.8 | 175.3 | -173.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 122 | K | 84.1 | Confident | 91.4 | Very high | 197 Ų | 197 | 155.4 Ų | 155.4 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | -66.4 | 140.6 | 176.5 | -168.2 | -173.9 | 173.3 | -175.5 | 0 | 109 | ||||
| 123 | A | 75.8 | Confident | 91.2 | Very high | 164 Ų | 164 | 156.3 Ų | 156.3 | 100% | 1.355 | 81% | 0.81 | S | S | * | * | trans | -63 | 0 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.3 |
Retrieved 123 of 123 residues in 599.8 ms
(Link to these results)