| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.9 | Very low | 62 | Low | 249 Ų | 249 | 123.3 Ų | 123.3 | 100% | 1.227 | 69% | 0.689 | S | S | * | * | 0 | 104.2 | 0 | -67.1 | -176.2 | -166.9 | 0 | 0 | 107.4 | |||||
| 2 | G | 39.7 | Very low | 64.6 | Low | 74 Ų | 74 | 127.9 Ų | 127.9 | 76% | 0.763 | 70% | 0.696 | S | S | * | * | trans | -90.5 | 119.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | K4 | G2-K4 PolarHBondContact O-N 3.09Å; G2-K4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | A | 44.4 | Very low | 66.8 | Low | 100 Ų | 100 | 128.4 Ų | 128.4 | 83% | 0.826 | 70% | 0.698 | S | S | * | * | trans | -59.1 | 114.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | S5 | A3-S5 PolarHBondContact O-N 2.93Š| ||
| 4 | K | 47.1 | Very low | 68.7 | Low | 208 Ų | 208 | 121.6 Ų | 121.6 | 90% | 0.904 | 66% | 0.66 | S | S | * | * | trans | -62.2 | 100.5 | 168.5 | -75.2 | 177.8 | 174.9 | 177.4 | 0 | 106.4 | G2 S6 | G2-K4 PolarHBondContact O-N 3.09Å; G2-K4 VanDerWaalsContact O-N 3.09Å; K4-S6 PolarHBondContact O-N 3.24Å | ||
| 5 | S | 52.1 | Low | 70.5 | Confident | 117 Ų | 117 | 114.5 Ų | 114.5 | 82% | 0.818 | 62% | 0.622 | S | S | * | * | trans | -52.2 | 110.6 | 166.5 | -88.9 | 0 | 0 | 0 | 0 | 107.5 | A3 R7 | A3-S5 PolarHBondContact O-N 2.93Å; S5-R7 PolarHBondContact O-N 2.94Å | ||
| 6 | S | 61.3 | Low | 72 | Confident | 96 Ų | 96 | 114.1 Ų | 114.1 | 67% | 0.671 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 125.8 | 169.4 | 176.4 | 0 | 0 | 0 | 0 | 106.6 | K4 | K4-S6 PolarHBondContact O-N 3.24Š|
| 7 | R | 63.1 | Low | 73.4 | Confident | 193 Ų | 193 | 112.8 Ų | 112.8 | 73% | 0.728 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 143.6 | 168.5 | -73.7 | -175.9 | -174.8 | 177.2 | 0.3 | 108.1 | S5 K9 | S5-R7 PolarHBondContact O-N 2.94Å; R7-K9 PolarHBondContact O-N 3.44Å |
| 8 | P | 71 | Confident | 74.6 | Confident | 46 Ų | 46 | 106.5 Ų | 106.5 | 30% | 0.299 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -50.1 | 142.5 | 166 | -8.8 | 17.7 | 0 | 0 | 0 | 107.8 | Y33 | P8-Y33 PolarHBondContact O-OH 3.01Š|
| 9 | K | 82 | Confident | 75.7 | Confident | 167 Ų | 167 | 104.7 Ų | 104.7 | 73% | 0.726 | 56% | 0.555 | S | S | * | * | trans | -123.2 | 129.4 | 175.2 | -70.1 | -174.6 | -178.2 | 178.3 | 0 | 108.4 | R7 T11 Y33 | R7-K9 PolarHBondContact O-N 3.44Å; K9-T11 PolarHBondContact O-N 3.04Å; K9-Y33 VanDerWaalsContact C-OH 3.28Å; K9-Y33 VanDerWaalsContact CA-OH 3.23Å; K9-Y33 WeakPolarHBondContact CA-OH 3.23Å; K9-Y33 PolarHBondContact N-OH 3.27Å | ||
| 10 | L | 89.7 | Confident | 76.6 | Confident | 42 Ų | 42 | 108.6 Ų | 108.6 | 22% | 0.22 | 57% | 0.567 | C | S | . | * | trans | -63.6 | 113.9 | 168.3 | -176.3 | 64.2 | 0 | 0 | 0 | 108.4 | D14 L15 L18 I29 Y33 F84 | L10-D14 HydrophobicContact CD1-CB 3.8Å; L10-L15 HydrophobicContact CD2-CD1 4.11Å; L10-L18 HydrophobicContact CD1-CD1 4.45Å; L10-I29 HydrophobicContact CD2-CG2 4.07Å; L10-Y33 HydrophobicContact CB-CD1 3.96Å; L10-Y33 HydrophobicContact CB-CD2 4.08Å; L10-Y33 HydrophobicContact CB-CE1 3.8Å; L10-Y33 HydrophobicContact CB-CE2 3.93Å; L10-Y33 HydrophobicContact CB-CG 4.08Å; L10-Y33 HydrophobicContact CD1-CD2 4.45Å; L10-Y33 HydrophobicContact CD2-CD1 4.49Å; L10-Y33 HydrophobicContact CD2-CG 4.17Å; L10-Y33 PolarHBondContact N-OH 2.99Å; L10-F84 HydrophobicContact CD1-CD1 3.8Å; L10-F84 HydrophobicContact CD1-CE1 3.87Å; L10-F84 HydrophobicContact CD2-CE1 4.4Å | ||
| 11 | T | 92.1 | Very high | 77.3 | Confident | 64 Ų | 64 | 107 Ų | 107 | 39% | 0.393 | 56% | 0.559 | S | S | . | * | trans | -77.3 | 163.4 | 179.8 | 72.5 | 0 | 0 | 0 | 0 | 110.7 | K9 D13 D14 L15 | K9-T11 PolarHBondContact O-N 3.04Å; T11-D13 PolarHBondContact O-N 2.76Å; T11-D14 WeakPolarHBondContact CB-OD2 3.28Å; T11-D14 WeakPolarHBondContact CG2-OD2 3.37Å; T11-D14 PolarHBondContact N-OD2 3.06Å; T11-D14 PolarHBondContact OG1-N 2.82Å; T11-D14 PolarHBondContact OG1-OD2 2.79Å; T11-L15 WeakPolarHBondContact O-CB 3.28Å; T11-L15 PolarHBondContact O-N 3.32Å; T11-L15 VanDerWaalsContact O-N 3.11Å | ||
| 12 | K | 92.4 | Very high | 79.8 | Confident | 179 Ų | 179 | 95.6 Ų | 95.6 | 78% | 0.778 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.8 | -37 | 173.2 | -71.3 | -175.2 | 176.4 | -176.9 | 0 | 111.3 | L15 E16 | K12-L15 PolarHBondContact O-N 3.03Å; K12-E16 WeakPolarHBondContact O-CG 3.26Å; K12-E16 PolarHBondContact O-N 2.8Å |
| 13 | D | 93.9 | Very high | 82.2 | Confident | 134 Ų | 134 | 97.4 Ų | 97.4 | 72% | 0.717 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.5 | -42 | -179.2 | -61 | -20.1 | 0 | 0 | 0 | 111.1 | T11 L15 E16 F17 | T11-D13 PolarHBondContact O-N 2.76Å; D13-L15 VanDerWaalsContact C-N 3.3Å; D13-L15 PolarHBondContact O-N 3.48Å; D13-E16 PolarHBondContact O-N 3.03Å; D13-F17 VanDerWaalsContact O-CB 3.25Å; D13-F17 WeakPolarHBondContact O-CB 3.38Å; D13-F17 PolarHBondContact O-N 3.1Å |
| 14 | D | 93.4 | Very high | 84.5 | Confident | 33 Ų | 33 | 94.2 Ų | 94.2 | 18% | 0.176 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -62.2 | -40 | 174.1 | -60.2 | -41.7 | 0 | 0 | 0 | 111.4 | L10 T11 F17 L18 K85 | L10-D14 HydrophobicContact CD1-CB 3.8Å; T11-D14 WeakPolarHBondContact CB-OD2 3.28Å; T11-D14 WeakPolarHBondContact CG2-OD2 3.37Å; T11-D14 PolarHBondContact N-OD2 3.06Å; T11-D14 PolarHBondContact OG1-N 2.82Å; T11-D14 PolarHBondContact OG1-OD2 2.79Å; D14-F17 PolarHBondContact O-N 2.98Å; D14-L18 WeakPolarHBondContact O-CB 3.26Å; D14-L18 VanDerWaalsContact O-CG 3.25Å; D14-L18 WeakPolarHBondContact O-CG 3.37Å; D14-L18 PolarHBondContact O-N 2.63Å; D14-K85 HydrophobicContact CB-CD 3.92Å; D14-K85 HydrophobicContact CB-CG 4.12Å; D14-K85 VanDerWaalsContact OD1-CD 3.22Å; D14-K85 WeakPolarHBondContact OD1-CD 3.37Å; D14-K85 WeakPolarHBondContact OD1-CE 3.49Å; D14-K85 IonicContact OD1-NZ 2.82Å; D14-K85 PolarHBondContact OD1-NZ 3.4Å |
| 15 | L | 94.9 | Very high | 86.7 | Confident | 16 Ų | 16 | 87.5 Ų | 87.5 | 8% | 0.084 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -65.7 | -47 | 179.3 | -177 | 64.5 | 0 | 0 | 0 | 112 | L10 T11 K12 D13 F17 L18 K19 E26 I29 | L10-L15 HydrophobicContact CD2-CD1 4.11Å; T11-L15 WeakPolarHBondContact O-CB 3.28Å; T11-L15 PolarHBondContact O-N 3.32Å; T11-L15 VanDerWaalsContact O-N 3.11Å; K12-L15 PolarHBondContact O-N 3.03Å; D13-L15 VanDerWaalsContact C-N 3.3Å; D13-L15 PolarHBondContact O-N 3.48Å; L15-F17 VanDerWaalsContact C-N 3.33Å; L15-L18 PolarHBondContact O-N 3.24Å; L15-K19 HydrophobicContact CD1-CD 4.48Å; L15-K19 HydrophobicContact CG-CD 4.15Å; L15-K19 VanDerWaalsContact O-CG 3.29Å; L15-K19 WeakPolarHBondContact O-CG 3.35Å; L15-K19 PolarHBondContact O-N 3.39Å; L15-E26 HydrophobicContact CD1-CG 4.12Å; L15-E26 HydrophobicContact CD2-CG 3.93Å; L15-E26 HydrophobicContact CG-CG 4.36Å; L15-I29 HydrophobicContact CD1-CB 4Å; L15-I29 HydrophobicContact CD1-CD1 4.11Å; L15-I29 HydrophobicContact CD1-CG2 3.66Å |
| 16 | E | 95.2 | Very high | 88.8 | Confident | 107 Ų | 107 | 84.5 Ų | 84.5 | 50% | 0.5 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 176.9 | -72.5 | -58.5 | 130 | 0 | 0 | 111.6 | K12 D13 K19 K20 | K12-E16 WeakPolarHBondContact O-CG 3.26Å; K12-E16 PolarHBondContact O-N 2.8Å; D13-E16 PolarHBondContact O-N 3.03Å; E16-K19 PolarHBondContact O-N 3.32Å; E16-K19 IonicContact OE1-NZ 2.65Å; E16-K19 PolarHBondContact OE1-NZ 3.24Å; E16-K19 IonicContact OE2-NZ 2.86Å; E16-K20 WeakPolarHBondContact O-CB 3.05Å; E16-K20 PolarHBondContact O-N 3.05Å; E16-K20 VanDerWaalsContact O-N 3.1Å |
| 17 | F | 95.4 | Very high | 90.5 | Very high | 92 Ų | 92 | 86 Ų | 86 | 40% | 0.404 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60 | -48.8 | 172.6 | 175.1 | -90.5 | 0 | 0 | 0 | 111.8 | D13 D14 L15 K19 K20 N21 K85 L89 | D13-F17 VanDerWaalsContact O-CB 3.25Å; D13-F17 WeakPolarHBondContact O-CB 3.38Å; D13-F17 PolarHBondContact O-N 3.1Å; D14-F17 PolarHBondContact O-N 2.98Å; L15-F17 VanDerWaalsContact C-N 3.33Å; F17-K19 PolarHBondContact O-N 3.19Å; F17-K20 PolarHBondContact O-N 2.97Å; F17-N21 WeakPolarHBondContact CD2-ND2 3.47Å; F17-N21 HydrophobicContact CE1-CB 4.49Å; F17-N21 VanDerWaalsContact CE2-ND2 3.32Å; F17-N21 WeakPolarHBondContact CE2-ND2 3.42Å; F17-N21 HydrophobicContact CZ-CB 4.47Å; F17-N21 PolarHBondContact O-N 2.84Å; F17-N21 PolarHBondContact O-ND2 3.02Å; F17-K85 HydrophobicContact CD1-CD 4.22Å; F17-L89 HydrophobicContact CE1-CD1 4.03Å; F17-L89 HydrophobicContact CE1-CD2 4.29Å; F17-L89 HydrophobicContact CE1-CG 4.48Å; F17-L89 HydrophobicContact CZ-CD1 4.4Å |
| 18 | L | 95.5 | Very high | 92 | Very high | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.4 | -39.4 | -179.2 | -73.3 | 171.5 | 0 | 0 | 0 | 112 | L10 D14 L15 K20 N21 T22 I29 F84 K85 L88 L89 | L10-L18 HydrophobicContact CD1-CD1 4.45Å; D14-L18 WeakPolarHBondContact O-CB 3.26Å; D14-L18 VanDerWaalsContact O-CG 3.25Å; D14-L18 WeakPolarHBondContact O-CG 3.37Å; D14-L18 PolarHBondContact O-N 2.63Å; L15-L18 PolarHBondContact O-N 3.24Å; L18-K20 VanDerWaalsContact C-N 3.26Å; L18-K20 PolarHBondContact O-N 2.96Å; L18-N21 PolarHBondContact O-N 3.34Å; L18-T22 HydrophobicContact CD2-CG2 4.21Å; L18-T22 WeakPolarHBondContact O-CB 3.29Å; L18-T22 PolarHBondContact O-N 2.86Å; L18-T22 PolarHBondContact O-OG1 3.33Å; L18-I29 HydrophobicContact CB-CD1 3.8Å; L18-I29 HydrophobicContact CB-CG1 4.37Å; L18-I29 HydrophobicContact CB-CG2 4.44Å; L18-I29 HydrophobicContact CD1-CG2 3.83Å; L18-F84 HydrophobicContact CD1-CD1 4.1Å; L18-F84 HydrophobicContact CD1-CE1 3.72Å; L18-K85 HydrophobicContact CD1-CG 4.16Å; L18-K85 HydrophobicContact CD2-CB 4.27Å; L18-K85 HydrophobicContact CD2-CG 4.36Å; L18-K85 HydrophobicContact CG-CG 4.25Å; L18-L88 HydrophobicContact CB-CD2 4.44Å; L18-L88 HydrophobicContact CD1-CD2 3.89Å; L18-L88 HydrophobicContact CD2-CB 4.1Å; L18-L88 HydrophobicContact CD2-CD2 4.12Å; L18-L88 HydrophobicContact CG-CD2 4.37Å; L18-L89 HydrophobicContact CD2-CG 4.4Å |
| 19 | K | 94.7 | Very high | 93.2 | Very high | 73 Ų | 73 | 78.3 Ų | 78.3 | 32% | 0.317 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61 | -34.8 | 174.1 | -73.1 | 164.7 | 66.2 | -178.6 | 0 | 112.5 | L15 E16 F17 E26 I29 | L15-K19 HydrophobicContact CD1-CD 4.48Å; L15-K19 HydrophobicContact CG-CD 4.15Å; L15-K19 VanDerWaalsContact O-CG 3.29Å; L15-K19 WeakPolarHBondContact O-CG 3.35Å; L15-K19 PolarHBondContact O-N 3.39Å; E16-K19 PolarHBondContact O-N 3.32Å; E16-K19 IonicContact OE1-NZ 2.65Å; E16-K19 PolarHBondContact OE1-NZ 3.24Å; E16-K19 IonicContact OE2-NZ 2.86Å; F17-K19 PolarHBondContact O-N 3.19Å; K19-E26 HydrophobicContact CD-CB 4.04Å; K19-E26 IonicContact NZ-OE2 3.99Å; K19-E26 PolarHBondContact NZ-OE2 3.48Å; K19-I29 HydrophobicContact CB-CD1 4.46Å; K19-I29 HydrophobicContact CG-CD1 3.58Å |
| 20 | K | 94.4 | Very high | 93.8 | Very high | 182 Ų | 182 | 74.5 Ų | 74.5 | 79% | 0.791 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -77.6 | -30.7 | 179.7 | -174.6 | 177.4 | 176.5 | -175.5 | 0 | 113.1 | E16 F17 L18 | E16-K20 WeakPolarHBondContact O-CB 3.05Å; E16-K20 PolarHBondContact O-N 3.05Å; E16-K20 VanDerWaalsContact O-N 3.1Å; F17-K20 PolarHBondContact O-N 2.97Å; L18-K20 VanDerWaalsContact C-N 3.26Å; L18-K20 PolarHBondContact O-N 2.96Å |
| 21 | N | 91.6 | Very high | 94 | Very high | 74 Ų | 74 | 79.3 Ų | 79.3 | 40% | 0.396 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -111.1 | -2.5 | -169.7 | -65 | -77.2 | 0 | 0 | 0 | 114.3 | F17 L18 L89 | F17-N21 WeakPolarHBondContact CD2-ND2 3.47Å; F17-N21 HydrophobicContact CE1-CB 4.49Å; F17-N21 VanDerWaalsContact CE2-ND2 3.32Å; F17-N21 WeakPolarHBondContact CE2-ND2 3.42Å; F17-N21 HydrophobicContact CZ-CB 4.47Å; F17-N21 PolarHBondContact O-N 2.84Å; F17-N21 PolarHBondContact O-ND2 3.02Å; L18-N21 PolarHBondContact O-N 3.34Å; N21-L89 HydrophobicContact CB-CD2 4.03Å |
| 22 | T | 91.6 | Very high | 94.1 | Very high | 11 Ų | 11 | 81.1 Ų | 81.1 | 7% | 0.067 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -128.3 | 164.5 | 176.5 | 71.8 | 0 | 0 | 0 | 0 | 111.2 | L18 F24 L89 N92 | L18-T22 HydrophobicContact CD2-CG2 4.21Å; L18-T22 WeakPolarHBondContact O-CB 3.29Å; L18-T22 PolarHBondContact O-N 2.86Å; L18-T22 PolarHBondContact O-OG1 3.33Å; T22-F24 HydrophobicContact CG2-CD2 4.35Å; T22-F24 PolarHBondContact O-N 3.09Å; T22-F24 PolarHBondContact OG1-N 2.99Å; T22-L89 HydrophobicContact CG2-CD2 3.95Å; T22-N92 WeakPolarHBondContact CA-OD1 3.19Å; T22-N92 HydrophobicContact CG2-CB 3.85Å |
| 23 | N | 90 | Very high | 94.2 | Very high | 112 Ų | 112 | 74.4 Ų | 74.4 | 60% | 0.599 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -83.7 | 11.7 | 174.8 | -63.1 | -37.9 | 0 | 0 | 0 | 112.9 | N92 S96 | N23-N92 PolarHBondContact N-OD1 3.13Å; N23-S96 PolarHBondContact ND2-OG 2.79Å |
| 24 | F | 92.8 | Very high | 94.1 | Very high | 32 Ų | 32 | 74.9 Ų | 74.9 | 14% | 0.14 | 35% | 0.348 | C | S | . | . | trans | -92.4 | 141.3 | -175.7 | -63.6 | -61.4 | 0 | 0 | 0 | 112.7 | T22 Q28 I29 W32 L88 I91 N92 | T22-F24 HydrophobicContact CG2-CD2 4.35Å; T22-F24 PolarHBondContact O-N 3.09Å; T22-F24 PolarHBondContact OG1-N 2.99Å; F24-Q28 HydrophobicContact CB-CB 4.15Å; F24-Q28 HydrophobicContact CD1-CB 4.2Å; F24-I29 HydrophobicContact CB-CD1 4.36Å; F24-I29 HydrophobicContact CB-CG1 3.75Å; F24-W32 AromaticContact CE1-NE1 3.83Å; F24-L88 HydrophobicContact CD2-CD1 3.85Å; F24-L88 HydrophobicContact CD2-CD2 4Å; F24-L88 HydrophobicContact CD2-CG 3.79Å; F24-L88 HydrophobicContact CE2-CD1 3.71Å; F24-L88 HydrophobicContact CE2-CG 3.93Å; F24-L88 HydrophobicContact CZ-CD1 4.46Å; F24-I91 HydrophobicContact CE2-CG2 4.37Å; F24-I91 HydrophobicContact CZ-CG2 3.98Å; F24-N92 HydrophobicContact CE2-CB 4.03Å | ||
| 25 | T | 94.3 | Very high | 94.1 | Very high | 68 Ų | 68 | 74.4 Ų | 74.4 | 42% | 0.417 | 35% | 0.351 | S | S | . | . | trans | -73.1 | 163.7 | 169.5 | 81.4 | 0 | 0 | 0 | 0 | 110.7 | E27 Q28 I29 | T25-E27 WeakPolarHBondContact CB-OE2 3.49Å; T25-E27 PolarHBondContact O-N 3.43Å; T25-E27 PolarHBondContact OG1-N 3.47Å; T25-E27 PolarHBondContact OG1-OE2 2.84Å; T25-Q28 PolarHBondContact O-N 3.4Å; T25-Q28 PolarHBondContact OG1-N 3.1Å; T25-I29 VanDerWaalsContact O-CG1 3.28Å; T25-I29 WeakPolarHBondContact O-CG1 3.17Å; T25-I29 PolarHBondContact O-N 3.18Å | ||
| 26 | E | 96 | Very high | 93.9 | Very high | 53 Ų | 53 | 74.2 Ų | 74.2 | 25% | 0.248 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.7 | -38.3 | 175.4 | 175.7 | 161.6 | 161.8 | 0 | 0 | 112.6 | L15 K19 K30 | L15-E26 HydrophobicContact CD1-CG 4.12Å; L15-E26 HydrophobicContact CD2-CG 3.93Å; L15-E26 HydrophobicContact CG-CG 4.36Å; K19-E26 HydrophobicContact CD-CB 4.04Å; K19-E26 IonicContact NZ-OE2 3.99Å; K19-E26 PolarHBondContact NZ-OE2 3.48Å; E26-K30 HydrophobicContact CG-CD 4.32Å; E26-K30 WeakPolarHBondContact O-CG 3.36Å; E26-K30 PolarHBondContact O-N 3.29Å; E26-K30 VanDerWaalsContact O-N 3.07Å; E26-K30 WeakPolarHBondContact OE1-CE 3.38Å; E26-K30 IonicContact OE1-NZ 2.83Å; E26-K30 PolarHBondContact OE1-NZ 2.63Å |
| 27 | E | 95.7 | Very high | 93.7 | Very high | 127 Ų | 127 | 70.3 Ų | 70.3 | 59% | 0.593 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.9 | -46.2 | 176.9 | -62 | 69.6 | -149.3 | 0 | 0 | 111.2 | T25 K30 E31 | T25-E27 WeakPolarHBondContact CB-OE2 3.49Å; T25-E27 PolarHBondContact O-N 3.43Å; T25-E27 PolarHBondContact OG1-N 3.47Å; T25-E27 PolarHBondContact OG1-OE2 2.84Å; E27-K30 PolarHBondContact O-N 2.9Å; E27-E31 PolarHBondContact O-N 3.35Å |
| 28 | Q | 95.1 | Very high | 93.4 | Very high | 79 Ų | 79 | 73 Ų | 73 | 37% | 0.369 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 177.9 | -69.4 | 174.7 | -43.7 | 0 | 0 | 111.4 | F24 T25 K30 E31 W32 | F24-Q28 HydrophobicContact CB-CB 4.15Å; F24-Q28 HydrophobicContact CD1-CB 4.2Å; T25-Q28 PolarHBondContact O-N 3.4Å; T25-Q28 PolarHBondContact OG1-N 3.1Å; Q28-K30 VanDerWaalsContact C-N 3.32Å; Q28-K30 PolarHBondContact O-N 3.27Å; Q28-E31 PolarHBondContact O-N 3.36Å; Q28-E31 VanDerWaalsContact O-N 3.16Å; Q28-W32 VanDerWaalsContact O-CD1 3.25Å; Q28-W32 PolarHBondContact O-N 3.17Å |
| 29 | I | 96.2 | Very high | 93 | Very high | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.2 | -45 | 176.1 | -64.8 | 161.4 | 0 | 0 | 0 | 110.3 | L10 L15 L18 K19 F24 T25 E31 W32 Y33 F84 L88 | L10-I29 HydrophobicContact CD2-CG2 4.07Å; L15-I29 HydrophobicContact CD1-CB 4Å; L15-I29 HydrophobicContact CD1-CD1 4.11Å; L15-I29 HydrophobicContact CD1-CG2 3.66Å; L18-I29 HydrophobicContact CB-CD1 3.8Å; L18-I29 HydrophobicContact CB-CG1 4.37Å; L18-I29 HydrophobicContact CB-CG2 4.44Å; L18-I29 HydrophobicContact CD1-CG2 3.83Å; K19-I29 HydrophobicContact CB-CD1 4.46Å; K19-I29 HydrophobicContact CG-CD1 3.58Å; F24-I29 HydrophobicContact CB-CD1 4.36Å; F24-I29 HydrophobicContact CB-CG1 3.75Å; T25-I29 VanDerWaalsContact O-CG1 3.28Å; T25-I29 WeakPolarHBondContact O-CG1 3.17Å; T25-I29 PolarHBondContact O-N 3.18Å; I29-E31 VanDerWaalsContact C-N 3.31Å; I29-E31 PolarHBondContact O-N 3.26Å; I29-W32 PolarHBondContact O-N 3.27Å; I29-Y33 WeakPolarHBondContact O-CB 3.5Å; I29-Y33 PolarHBondContact O-N 3.34Å; I29-F84 HydrophobicContact CG2-CE1 3.93Å; I29-F84 HydrophobicContact CG2-CZ 4.18Å; I29-F84 WeakPolarHBondContact O-CZ 3.31Å; I29-L88 HydrophobicContact CB-CD2 4.21Å; I29-L88 HydrophobicContact CG1-CD2 3.73Å; I29-L88 HydrophobicContact CG2-CD2 3.97Å |
| 30 | K | 94.8 | Very high | 92.7 | Very high | 87 Ų | 87 | 75.8 Ų | 75.8 | 38% | 0.378 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.5 | -32.9 | 177.7 | -73.3 | 172 | -174.1 | 166.1 | 0 | 112.7 | E26 E27 Q28 K34 | E26-K30 HydrophobicContact CG-CD 4.32Å; E26-K30 WeakPolarHBondContact O-CG 3.36Å; E26-K30 PolarHBondContact O-N 3.29Å; E26-K30 VanDerWaalsContact O-N 3.07Å; E26-K30 WeakPolarHBondContact OE1-CE 3.38Å; E26-K30 IonicContact OE1-NZ 2.83Å; E26-K30 PolarHBondContact OE1-NZ 2.63Å; E27-K30 PolarHBondContact O-N 2.9Å; Q28-K30 VanDerWaalsContact C-N 3.32Å; Q28-K30 PolarHBondContact O-N 3.27Å; K30-K34 WeakPolarHBondContact O-CG 3.3Å; K30-K34 PolarHBondContact O-N 3.33Å |
| 31 | E | 94.7 | Very high | 92.4 | Very high | 142 Ų | 142 | 71.5 Ų | 71.5 | 66% | 0.664 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -69 | -50.1 | 175.6 | -174.4 | 170.4 | -160.1 | 0 | 0 | 111.4 | E27 Q28 I29 Y33 K34 G35 | E27-E31 PolarHBondContact O-N 3.35Å; Q28-E31 PolarHBondContact O-N 3.36Å; Q28-E31 VanDerWaalsContact O-N 3.16Å; I29-E31 VanDerWaalsContact C-N 3.31Å; I29-E31 PolarHBondContact O-N 3.26Å; E31-Y33 PolarHBondContact O-N 2.85Å; E31-K34 WeakPolarHBondContact O-CB 3.32Å; E31-K34 PolarHBondContact O-N 3.27Å; E31-K34 VanDerWaalsContact O-N 3.1Å; E31-G35 PolarHBondContact O-N 2.92Å; E31-G35 VanDerWaalsContact O-N 3.17Å |
| 32 | W | 93.9 | Very high | 92.3 | Very high | 102 Ų | 102 | 76 Ų | 76 | 39% | 0.386 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -54.5 | -42.5 | 172.1 | -83.2 | 112.1 | 0 | 0 | 0 | 111.9 | F24 Q28 I29 K34 G35 F36 F84 F87 L88 I91 | F24-W32 AromaticContact CE1-NE1 3.83Å; Q28-W32 VanDerWaalsContact O-CD1 3.25Å; Q28-W32 PolarHBondContact O-N 3.17Å; I29-W32 PolarHBondContact O-N 3.27Å; W32-K34 VanDerWaalsContact C-N 3.33Å; W32-K34 PolarHBondContact O-N 3.01Å; W32-G35 PolarHBondContact O-N 3.34Å; W32-F36 WeakPolarHBondContact O-CB 3.5Å; W32-F36 PolarHBondContact O-N 2.82Å; W32-F84 HydrophobicContact CB-CE2 3.97Å; W32-F84 HydrophobicContact CB-CZ 4.02Å; W32-F87 AromaticContact CE3-CE1 3.67Å; W32-F87 HydrophobicContact CE3-CE1 3.67Å; W32-F87 HydrophobicContact CE3-CZ 4.02Å; W32-F87 AromaticContact CZ3-CE1 3.94Å; W32-F87 HydrophobicContact CZ3-CE1 3.94Å; W32-F87 AromaticContact CZ3-CZ 3.8Å; W32-F87 HydrophobicContact CZ3-CZ 3.8Å; W32-L88 HydrophobicContact CB-CD1 3.87Å; W32-L88 HydrophobicContact CD2-CD1 4.13Å; W32-L88 HydrophobicContact CG-CD1 3.63Å; W32-I91 HydrophobicContact CH2-CG2 4.42Å; W32-I91 HydrophobicContact CZ2-CG2 4.14Å |
| 33 | Y | 93.9 | Very high | 92.2 | Very high | 39 Ų | 39 | 76.1 Ų | 76.1 | 15% | 0.153 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 178.5 | -173.8 | -111.4 | 0 | 0 | 0 | 112.9 | P8 K9 L10 I29 E31 F36 V37 F84 | P8-Y33 PolarHBondContact O-OH 3.01Å; K9-Y33 VanDerWaalsContact C-OH 3.28Å; K9-Y33 VanDerWaalsContact CA-OH 3.23Å; K9-Y33 WeakPolarHBondContact CA-OH 3.23Å; K9-Y33 PolarHBondContact N-OH 3.27Å; L10-Y33 HydrophobicContact CB-CD1 3.96Å; L10-Y33 HydrophobicContact CB-CD2 4.08Å; L10-Y33 HydrophobicContact CB-CE1 3.8Å; L10-Y33 HydrophobicContact CB-CE2 3.93Å; L10-Y33 HydrophobicContact CB-CG 4.08Å; L10-Y33 HydrophobicContact CD1-CD2 4.45Å; L10-Y33 HydrophobicContact CD2-CD1 4.49Å; L10-Y33 HydrophobicContact CD2-CG 4.17Å; L10-Y33 PolarHBondContact N-OH 2.99Å; I29-Y33 WeakPolarHBondContact O-CB 3.5Å; I29-Y33 PolarHBondContact O-N 3.34Å; E31-Y33 PolarHBondContact O-N 2.85Å; Y33-F36 PolarHBondContact O-N 2.91Å; Y33-V37 HydrophobicContact CD1-CG2 4.4Å; Y33-V37 HydrophobicContact CD2-CG2 4.23Å; Y33-V37 HydrophobicContact CE1-CG2 3.94Å; Y33-V37 HydrophobicContact CE2-CG2 3.77Å; Y33-V37 WeakPolarHBondContact O-CG2 3.48Å; Y33-V37 PolarHBondContact O-N 3.43Å; Y33-F84 VanDerWaalsContact CA-CZ 3.5Å; Y33-F84 HydrophobicContact CD2-CB 4.18Å; Y33-F84 AromaticContact CD2-CD1 3.48Å; Y33-F84 HydrophobicContact CD2-CD1 3.48Å; Y33-F84 VanDerWaalsContact CD2-CD1 3.48Å; Y33-F84 AromaticContact CD2-CD2 3.83Å; Y33-F84 HydrophobicContact CD2-CD2 3.83Å; Y33-F84 AromaticContact CD2-CE1 3.72Å; Y33-F84 HydrophobicContact CD2-CE1 3.72Å; Y33-F84 HydrophobicContact CD2-CE2 4.07Å; Y33-F84 AromaticContact CD2-CG 3.52Å; Y33-F84 HydrophobicContact CD2-CG 3.52Å; Y33-F84 HydrophobicContact CD2-CZ 4.01Å; Y33-F84 HydrophobicContact CE2-CB 4.26Å; Y33-F84 HydrophobicContact CE2-CD1 4.14Å; Y33-F84 HydrophobicContact CE2-CG 4.08Å; Y33-F84 HydrophobicContact CG-CD1 4.42Å; Y33-F84 HydrophobicContact CG-CE1 4.24Å; Y33-F84 HydrophobicContact CG-CZ 4.31Å |
| 34 | K | 92.4 | Very high | 92.3 | Very high | 144 Ų | 144 | 72.8 Ų | 72.8 | 63% | 0.626 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.9 | -46.4 | 176.7 | -73 | 171 | -173.4 | 175.1 | 0 | 111.1 | K30 E31 W32 Q38 | K30-K34 WeakPolarHBondContact O-CG 3.3Å; K30-K34 PolarHBondContact O-N 3.33Å; E31-K34 WeakPolarHBondContact O-CB 3.32Å; E31-K34 PolarHBondContact O-N 3.27Å; E31-K34 VanDerWaalsContact O-N 3.1Å; W32-K34 VanDerWaalsContact C-N 3.33Å; W32-K34 PolarHBondContact O-N 3.01Å; K34-Q38 VanDerWaalsContact O-CG 3.28Å; K34-Q38 WeakPolarHBondContact O-CG 3.4Å; K34-Q38 PolarHBondContact O-N 2.79Å; K34-Q38 VanDerWaalsContact O-N 3.1Å |
| 35 | G | 92 | Very high | 92.2 | Very high | 23 Ų | 23 | 72.4 Ų | 72.4 | 24% | 0.237 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62 | -47.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E31 W32 V37 Q38 D39 | E31-G35 PolarHBondContact O-N 2.92Å; E31-G35 VanDerWaalsContact O-N 3.17Å; W32-G35 PolarHBondContact O-N 3.34Å; G35-V37 PolarHBondContact O-N 3.47Å; G35-Q38 WeakPolarHBondContact O-CA 3.35Å; G35-Q38 WeakPolarHBondContact O-CB 3.46Å; G35-Q38 PolarHBondContact O-N 2.94Å; G35-D39 PolarHBondContact O-N 2.74Å |
| 36 | F | 91 | Very high | 92.1 | Very high | 11 Ų | 11 | 70.8 Ų | 70.8 | 5% | 0.048 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.4 | -43 | 179.8 | -172.3 | -95 | 0 | 0 | 0 | 112.9 | W32 Y33 Q38 D39 C40 G43 L45 F84 F87 | W32-F36 WeakPolarHBondContact O-CB 3.5Å; W32-F36 PolarHBondContact O-N 2.82Å; Y33-F36 PolarHBondContact O-N 2.91Å; F36-Q38 VanDerWaalsContact C-N 3.31Å; F36-Q38 PolarHBondContact O-N 2.78Å; F36-D39 PolarHBondContact O-N 3.45Å; F36-C40 HydrophobicContact CD1-CB 4.48Å; F36-C40 HydrophobicContact CE1-CB 4.25Å; F36-C40 HydrophobicContact CZ-CB 4.39Å; F36-C40 WeakPolarHBondContact O-CA 3.35Å; F36-C40 VanDerWaalsContact O-CB 3.26Å; F36-C40 WeakPolarHBondContact O-CB 3.35Å; F36-C40 PolarHBondContact O-N 2.9Å; F36-G43 WeakPolarHBondContact CE1-O 3.22Å; F36-L45 HydrophobicContact CE2-CB 4.38Å; F36-L45 HydrophobicContact CZ-CB 4.44Å; F36-F84 HydrophobicContact CB-CD2 3.68Å; F36-F84 HydrophobicContact CB-CE2 4.05Å; F36-F84 HydrophobicContact CD1-CB 3.91Å; F36-F84 AromaticContact CD1-CD2 3.85Å; F36-F84 HydrophobicContact CD1-CD2 3.85Å; F36-F84 HydrophobicContact CD1-CG 4.33Å; F36-F84 HydrophobicContact CD2-CD2 4.27Å; F36-F84 HydrophobicContact CE1-CB 3.92Å; F36-F84 AromaticContact CG-CD2 3.68Å; F36-F84 HydrophobicContact CG-CD2 3.68Å; F36-F84 HydrophobicContact CG-CE2 4.48Å; F36-F87 HydrophobicContact CD2-CB 4.2Å; F36-F87 AromaticContact CD2-CD1 3.69Å; F36-F87 HydrophobicContact CD2-CD1 3.69Å; F36-F87 HydrophobicContact CD2-CD2 4.31Å; F36-F87 HydrophobicContact CD2-CE1 4.14Å; F36-F87 AromaticContact CD2-CG 3.78Å; F36-F87 HydrophobicContact CD2-CG 3.78Å; F36-F87 HydrophobicContact CE2-CB 3.74Å; F36-F87 HydrophobicContact CE2-CD1 4.11Å; F36-F87 HydrophobicContact CE2-CD2 4.16Å; F36-F87 AromaticContact CE2-CG 3.72Å; F36-F87 HydrophobicContact CE2-CG 3.72Å; F36-F87 HydrophobicContact CZ-CB 4.42Å |
| 37 | V | 91.1 | Very high | 91.9 | Very high | 25 Ų | 25 | 71.3 Ų | 71.3 | 15% | 0.152 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -71.9 | -26.2 | 177 | 174.4 | 0 | 0 | 0 | 0 | 112.3 | Y33 G35 C40 P41 | Y33-V37 HydrophobicContact CD1-CG2 4.4Å; Y33-V37 HydrophobicContact CD2-CG2 4.23Å; Y33-V37 HydrophobicContact CE1-CG2 3.94Å; Y33-V37 HydrophobicContact CE2-CG2 3.77Å; Y33-V37 WeakPolarHBondContact O-CG2 3.48Å; Y33-V37 PolarHBondContact O-N 3.43Å; G35-V37 PolarHBondContact O-N 3.47Å; V37-C40 CarbonylContact O-C 3.57Å; V37-P41 WeakPolarHBondContact O-CA 3.48Å |
| 38 | Q | 89.8 | Confident | 91.6 | Very high | 148 Ų | 148 | 71.4 Ų | 71.4 | 69% | 0.692 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -67.5 | -46.5 | 172.5 | -77 | 173.5 | -19.1 | 0 | 0 | 111.1 | K34 G35 F36 | K34-Q38 VanDerWaalsContact O-CG 3.28Å; K34-Q38 WeakPolarHBondContact O-CG 3.4Å; K34-Q38 PolarHBondContact O-N 2.79Å; K34-Q38 VanDerWaalsContact O-N 3.1Å; G35-Q38 WeakPolarHBondContact O-CA 3.35Å; G35-Q38 WeakPolarHBondContact O-CB 3.46Å; G35-Q38 PolarHBondContact O-N 2.94Å; F36-Q38 VanDerWaalsContact C-N 3.31Å; F36-Q38 PolarHBondContact O-N 2.78Å |
| 39 | D | 86.8 | Confident | 91.3 | Very high | 127 Ų | 127 | 70.9 Ų | 70.9 | 68% | 0.679 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -79.8 | -31.9 | -178.1 | -65 | -25.3 | 0 | 0 | 0 | 112.7 | G35 F36 P41 | G35-D39 PolarHBondContact O-N 2.74Å; F36-D39 PolarHBondContact O-N 3.45Å; D39-P41 WeakPolarHBondContact O-CD 3.24Å |
| 40 | C | 88.8 | Confident | 90.9 | Very high | 6 Ų | 6 | 71.8 Ų | 71.8 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | trans | -121.6 | 77.4 | 178.6 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | F36 V37 K42 G43 H44 | F36-C40 HydrophobicContact CD1-CB 4.48Å; F36-C40 HydrophobicContact CE1-CB 4.25Å; F36-C40 HydrophobicContact CZ-CB 4.39Å; F36-C40 WeakPolarHBondContact O-CA 3.35Å; F36-C40 VanDerWaalsContact O-CB 3.26Å; F36-C40 WeakPolarHBondContact O-CB 3.35Å; F36-C40 PolarHBondContact O-N 2.9Å; V37-C40 CarbonylContact O-C 3.57Å; C40-K42 PolarHBondContact O-N 2.74Å; C40-G43 PolarHBondContact O-N 2.9Å; C40-H44 WeakPolarHBondContact CB-O 3.33Å | ||
| 41 | P | 88 | Confident | 90.5 | Very high | 92 Ų | 92 | 68.6 Ų | 68.6 | 60% | 0.597 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -21.4 | -177.4 | -26.8 | 35 | 0 | 0 | 0 | 115 | V37 D39 G43 | V37-P41 WeakPolarHBondContact O-CA 3.48Å; D39-P41 WeakPolarHBondContact O-CD 3.24Å; P41-G43 VanDerWaalsContact C-N 3.31Å |
| 42 | K | 89.3 | Confident | 90.1 | Very high | 168 Ų | 168 | 68.4 Ų | 68.4 | 73% | 0.73 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -4 | 175.7 | -59.8 | -175.9 | 178.6 | 176.6 | 0 | 113.6 | C40 H44 | C40-K42 PolarHBondContact O-N 2.74Å; K42-H44 WeakPolarHBondContact CB-CE1 3.25Å; K42-H44 PolarHBondContact O-ND1 3.46Å |
| 43 | G | 89.7 | Confident | 89.5 | Confident | 14 Ų | 14 | 67 Ų | 67 | 14% | 0.144 | 34% | 0.34 | C | S | . | . | S | Bend | trans | 83.5 | 13.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.9 | F36 C40 P41 | F36-G43 WeakPolarHBondContact CE1-O 3.22Å; C40-G43 PolarHBondContact O-N 2.9Å; P41-G43 VanDerWaalsContact C-N 3.31Å |
| 44 | H | 91.8 | Very high | 88.6 | Confident | 42 Ų | 42 | 67.7 Ų | 67.7 | 19% | 0.194 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 150.8 | -178.8 | 59.2 | -84.4 | 0 | 0 | 0 | 110.6 | C40 K42 F81 I82 | C40-H44 WeakPolarHBondContact CB-O 3.33Å; K42-H44 WeakPolarHBondContact CB-CE1 3.25Å; K42-H44 PolarHBondContact O-ND1 3.46Å; H44-F81 HydrophobicContact CB-CB 3.92Å; H44-F81 AromaticContact CD2-CD1 3.19Å; H44-F81 WeakPolarHBondContact CD2-CD1 3.46Å; H44-F81 AromaticContact CD2-CE1 3.74Å; H44-F81 AromaticContact CD2-CG 3.57Å; H44-F81 AromaticContact NE2-CD1 3.72Å; H44-F81 AromaticContact NE2-CE1 3.75Å; H44-I82 CarbonylContact C-O 3.49Å; H44-I82 WeakPolarHBondContact CA-O 3.44Å |
| 45 | L | 91.4 | Very high | 88.1 | Confident | 23 Ų | 23 | 65 Ų | 65 | 12% | 0.12 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 126.2 | 174.4 | -173.6 | 72 | 0 | 0 | 0 | 109.2 | F36 Q49 F50 I82 | F36-L45 HydrophobicContact CE2-CB 4.38Å; F36-L45 HydrophobicContact CZ-CB 4.44Å; L45-Q49 HydrophobicContact CD1-CB 3.41Å; L45-Q49 VanDerWaalsContact CD1-CB 3.41Å; L45-Q49 HydrophobicContact CD1-CG 4.38Å; L45-Q49 HydrophobicContact CG-CB 4.23Å; L45-F50 HydrophobicContact CD2-CB 4.02Å; L45-F50 HydrophobicContact CD2-CD2 3.69Å; L45-F50 HydrophobicContact CD2-CG 4.36Å; L45-F50 HydrophobicContact CG-CB 4.37Å; L45-I82 HydrophobicContact CB-CB 4.24Å; L45-I82 PolarHBondContact N-O 3.39Å; L45-I82 PolarHBondContact O-N 3.32Å |
| 46 | T | 92.1 | Very high | 87.6 | Confident | 35 Ų | 35 | 69.9 Ų | 69.9 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 156.6 | 174.8 | 61 | 0 | 0 | 0 | 0 | 111.2 | D48 Q49 F50 F81 | T46-D48 PolarHBondContact O-N 2.86Å; T46-Q49 PolarHBondContact O-N 3.45Å; T46-Q49 VanDerWaalsContact O-N 3.09Å; T46-Q49 VanDerWaalsContact OG1-CG 3.26Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.35Å; T46-Q49 PolarHBondContact OG1-N 3.4Å; T46-Q49 PolarHBondContact OG1-OE1 2.65Å; T46-F50 PolarHBondContact O-N 3.02Å; T46-F81 HydrophobicContact CG2-CD1 4.02Å; T46-F81 HydrophobicContact CG2-CE1 3.99Å |
| 47 | K | 90.4 | Very high | 86.8 | Confident | 64 Ų | 64 | 76.6 Ų | 76.6 | 28% | 0.278 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -52.4 | -41.2 | 173.9 | -170.9 | 178.5 | 178 | -175.2 | 0 | 112.1 | Q49 F50 I51 E68 F71 | K47-Q49 PolarHBondContact O-N 3.11Å; K47-F50 WeakPolarHBondContact O-CB 3.49Å; K47-F50 PolarHBondContact O-N 2.97Å; K47-I51 HydrophobicContact CG-CD1 3.88Å; K47-I51 HydrophobicContact CG-CG1 4.42Å; K47-I51 WeakPolarHBondContact O-CB 3.43Å; K47-I51 VanDerWaalsContact O-CG1 3.3Å; K47-I51 WeakPolarHBondContact O-CG1 3.35Å; K47-I51 PolarHBondContact O-N 2.83Å; K47-E68 IonicContact NZ-OE1 3.69Å; K47-E68 PolarHBondContact NZ-OE1 2.89Å; K47-E68 IonicContact NZ-OE2 3.92Å; K47-E68 PolarHBondContact NZ-OE2 3.42Å; K47-F71 HydrophobicContact CB-CD2 4.31Å; K47-F71 HydrophobicContact CB-CE2 4.15Å; K47-F71 HydrophobicContact CB-CZ 4.32Å; K47-F71 HydrophobicContact CG-CD2 4.5Å |
| 48 | D | 89.4 | Confident | 85.9 | Confident | 128 Ų | 128 | 77.6 Ų | 77.6 | 68% | 0.684 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.5 | -41.9 | 178.2 | -68.9 | -21.3 | 0 | 0 | 0 | 112.9 | T46 F50 K52 | T46-D48 PolarHBondContact O-N 2.86Å; D48-F50 VanDerWaalsContact C-N 3.35Å; D48-K52 WeakPolarHBondContact O-CB 3.32Å; D48-K52 PolarHBondContact O-N 2.93Å |
| 49 | Q | 89 | Confident | 85.2 | Confident | 68 Ų | 68 | 75.8 Ų | 75.8 | 32% | 0.318 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 175.7 | -70.9 | 167.2 | -62.5 | 0 | 0 | 111.1 | L45 T46 K47 K52 V53 | L45-Q49 HydrophobicContact CD1-CB 3.41Å; L45-Q49 VanDerWaalsContact CD1-CB 3.41Å; L45-Q49 HydrophobicContact CD1-CG 4.38Å; L45-Q49 HydrophobicContact CG-CB 4.23Å; T46-Q49 PolarHBondContact O-N 3.45Å; T46-Q49 VanDerWaalsContact O-N 3.09Å; T46-Q49 VanDerWaalsContact OG1-CG 3.26Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.35Å; T46-Q49 PolarHBondContact OG1-N 3.4Å; T46-Q49 PolarHBondContact OG1-OE1 2.65Å; K47-Q49 PolarHBondContact O-N 3.11Å; Q49-K52 WeakPolarHBondContact O-CB 3.25Å; Q49-K52 PolarHBondContact O-N 3.42Å; Q49-V53 PolarHBondContact O-N 3.01Å |
| 50 | F | 87.8 | Confident | 84.7 | Confident | 20 Ų | 20 | 73.9 Ų | 73.9 | 9% | 0.088 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.8 | -48.8 | 177.2 | -172.8 | -97.9 | 0 | 0 | 0 | 111.9 | L45 T46 K47 D48 K52 V53 Y54 C67 V70 F71 F74 I82 | L45-F50 HydrophobicContact CD2-CB 4.02Å; L45-F50 HydrophobicContact CD2-CD2 3.69Å; L45-F50 HydrophobicContact CD2-CG 4.36Å; L45-F50 HydrophobicContact CG-CB 4.37Å; T46-F50 PolarHBondContact O-N 3.02Å; K47-F50 WeakPolarHBondContact O-CB 3.49Å; K47-F50 PolarHBondContact O-N 2.97Å; D48-F50 VanDerWaalsContact C-N 3.35Å; F50-K52 VanDerWaalsContact C-N 3.28Å; F50-K52 PolarHBondContact O-N 3.16Å; F50-V53 PolarHBondContact O-N 3.27Å; F50-Y54 HydrophobicContact CD1-CD2 4.29Å; F50-Y54 HydrophobicContact CD1-CE2 4.38Å; F50-Y54 AromaticContact CE1-CD2 3.84Å; F50-Y54 HydrophobicContact CE1-CD2 3.84Å; F50-Y54 AromaticContact CE1-CE2 3.55Å; F50-Y54 HydrophobicContact CE1-CE2 3.55Å; F50-Y54 AromaticContact CE2-CE2 3.92Å; F50-Y54 HydrophobicContact CE2-CE2 3.92Å; F50-Y54 AromaticContact CZ-CD2 3.97Å; F50-Y54 HydrophobicContact CZ-CD2 3.97Å; F50-Y54 AromaticContact CZ-CE2 3.27Å; F50-Y54 HydrophobicContact CZ-CE2 3.27Å; F50-Y54 PolarHBondContact O-N 3.07Å; F50-C67 HydrophobicContact CD1-CB 4.09Å; F50-C67 HydrophobicContact CE1-CB 4.16Å; F50-V70 HydrophobicContact CE1-CB 4.07Å; F50-V70 HydrophobicContact CE1-CG1 3.88Å; F50-V70 HydrophobicContact CZ-CB 4.17Å; F50-V70 HydrophobicContact CZ-CG1 3.45Å; F50-V70 VanDerWaalsContact CZ-CG1 3.45Å; F50-F71 HydrophobicContact CB-CD2 3.93Å; F50-F71 HydrophobicContact CB-CE2 4.29Å; F50-F71 HydrophobicContact CD1-CB 4.34Å; F50-F71 HydrophobicContact CD1-CD2 4.14Å; F50-F71 AromaticContact CG-CD2 3.96Å; F50-F71 HydrophobicContact CG-CD2 3.96Å; F50-F74 HydrophobicContact CE2-CD2 4.22Å; F50-F74 HydrophobicContact CE2-CE2 4.2Å; F50-F74 HydrophobicContact CZ-CD2 4.28Å; F50-F74 HydrophobicContact CZ-CE2 4.11Å; F50-I82 HydrophobicContact CD2-CD1 4.27Å |
| 51 | I | 87.1 | Confident | 84 | Confident | 20 Ų | 20 | 74.8 Ų | 74.8 | 10% | 0.103 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.1 | -42 | 175.7 | -70.9 | 167.7 | 0 | 0 | 0 | 110.8 | K47 V53 Y54 K55 E64 C67 | K47-I51 HydrophobicContact CG-CD1 3.88Å; K47-I51 HydrophobicContact CG-CG1 4.42Å; K47-I51 WeakPolarHBondContact O-CB 3.43Å; K47-I51 VanDerWaalsContact O-CG1 3.3Å; K47-I51 WeakPolarHBondContact O-CG1 3.35Å; K47-I51 PolarHBondContact O-N 2.83Å; I51-V53 VanDerWaalsContact C-N 3.3Å; I51-V53 PolarHBondContact O-N 3.4Å; I51-Y54 PolarHBondContact O-N 3.46Å; I51-Y54 VanDerWaalsContact O-N 3.17Å; I51-K55 HydrophobicContact CG2-CD 4Å; I51-K55 HydrophobicContact CG2-CG 4.17Å; I51-K55 WeakPolarHBondContact O-CG 3.48Å; I51-K55 PolarHBondContact O-N 2.92Å; I51-E64 HydrophobicContact CG2-CG 4.16Å; I51-C67 HydrophobicContact CG1-CB 3.6Å |
| 52 | K | 86.3 | Confident | 83.8 | Confident | 138 Ų | 138 | 72.9 Ų | 72.9 | 60% | 0.6 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -57.7 | -43.3 | 179.3 | -173.4 | -178.2 | 177.8 | -174.3 | 0 | 111.9 | D48 Q49 F50 Y54 K55 D56 | D48-K52 WeakPolarHBondContact O-CB 3.32Å; D48-K52 PolarHBondContact O-N 2.93Å; Q49-K52 WeakPolarHBondContact O-CB 3.25Å; Q49-K52 PolarHBondContact O-N 3.42Å; F50-K52 VanDerWaalsContact C-N 3.28Å; F50-K52 PolarHBondContact O-N 3.16Å; K52-Y54 VanDerWaalsContact C-N 3.35Å; K52-Y54 PolarHBondContact O-N 2.93Å; K52-K55 PolarHBondContact O-N 2.96Å; K52-D56 PolarHBondContact O-N 3.41Å |
| 53 | V | 80.7 | Confident | 83.6 | Confident | 73 Ų | 73 | 64.9 Ų | 64.9 | 44% | 0.442 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 177 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | Q49 F50 I51 K55 D56 F57 | Q49-V53 PolarHBondContact O-N 3.01Å; F50-V53 PolarHBondContact O-N 3.27Å; I51-V53 VanDerWaalsContact C-N 3.3Å; I51-V53 PolarHBondContact O-N 3.4Å; V53-K55 PolarHBondContact O-N 3.39Å; V53-D56 PolarHBondContact O-N 3.31Å; V53-F57 HydrophobicContact CG1-CD2 4.26Å; V53-F57 HydrophobicContact CG1-CE2 3.83Å; V53-F57 WeakPolarHBondContact O-CD2 3.47Å |
| 54 | Y | 76.3 | Confident | 83.5 | Confident | 53 Ų | 53 | 67.5 Ų | 67.5 | 21% | 0.208 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 178.9 | -91 | -100.7 | 0 | 0 | 0 | 113.4 | F50 I51 K52 D56 F57 F58 F66 C67 M133 | F50-Y54 HydrophobicContact CD1-CD2 4.29Å; F50-Y54 HydrophobicContact CD1-CE2 4.38Å; F50-Y54 AromaticContact CE1-CD2 3.84Å; F50-Y54 HydrophobicContact CE1-CD2 3.84Å; F50-Y54 AromaticContact CE1-CE2 3.55Å; F50-Y54 HydrophobicContact CE1-CE2 3.55Å; F50-Y54 AromaticContact CE2-CE2 3.92Å; F50-Y54 HydrophobicContact CE2-CE2 3.92Å; F50-Y54 AromaticContact CZ-CD2 3.97Å; F50-Y54 HydrophobicContact CZ-CD2 3.97Å; F50-Y54 AromaticContact CZ-CE2 3.27Å; F50-Y54 HydrophobicContact CZ-CE2 3.27Å; F50-Y54 PolarHBondContact O-N 3.07Å; I51-Y54 PolarHBondContact O-N 3.46Å; I51-Y54 VanDerWaalsContact O-N 3.17Å; K52-Y54 VanDerWaalsContact C-N 3.35Å; K52-Y54 PolarHBondContact O-N 2.93Å; Y54-D56 PolarHBondContact O-N 3.05Å; Y54-F57 PolarHBondContact O-N 3.17Å; Y54-F58 HydrophobicContact CD1-CD2 4.16Å; Y54-F58 HydrophobicContact CD1-CE2 4.1Å; Y54-F58 HydrophobicContact CE1-CE2 4.44Å; Y54-F58 PolarHBondContact O-N 3.29Å; Y54-F66 HydrophobicContact CE1-CD1 4.22Å; Y54-F66 HydrophobicContact CE1-CE1 4.09Å; Y54-C67 WeakPolarHBondContact CB-SG 3.29Å; Y54-M133 HydrophobicContact CD1-SD 4.49Å |
| 55 | K | 81.9 | Confident | 83.4 | Confident | 88 Ų | 88 | 67.1 Ų | 67.1 | 38% | 0.383 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60 | -33.1 | 175.9 | -76.7 | -176.3 | 173.9 | -173.6 | 0 | 112.8 | I51 K52 V53 F57 F58 P59 E64 | I51-K55 HydrophobicContact CG2-CD 4Å; I51-K55 HydrophobicContact CG2-CG 4.17Å; I51-K55 WeakPolarHBondContact O-CG 3.48Å; I51-K55 PolarHBondContact O-N 2.92Å; K52-K55 PolarHBondContact O-N 2.96Å; V53-K55 PolarHBondContact O-N 3.39Å; K55-F57 VanDerWaalsContact C-N 3.27Å; K55-F57 PolarHBondContact O-N 3.28Å; K55-F58 CarbonylContact O-C 3.59Å; K55-P59 WeakPolarHBondContact O-CA 3.41Å; K55-E64 WeakPolarHBondContact CE-OE1 3.3Å; K55-E64 IonicContact NZ-OE1 2.63Å; K55-E64 PolarHBondContact NZ-OE1 3.19Å |
| 56 | D | 80.4 | Confident | 83.2 | Confident | 124 Ų | 124 | 66.4 Ų | 66.4 | 66% | 0.663 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -68 | -28.1 | 175.9 | -67.4 | -20.5 | 0 | 0 | 0 | 112 | K52 V53 Y54 | K52-D56 PolarHBondContact O-N 3.41Å; V53-D56 PolarHBondContact O-N 3.31Å; Y54-D56 PolarHBondContact O-N 3.05Å |
| 57 | F | 75.3 | Confident | 83.1 | Confident | 152 Ų | 152 | 64.8 Ų | 64.8 | 67% | 0.667 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -87.9 | -32.4 | 176.6 | -70.1 | -73.6 | 0 | 0 | 0 | 114 | V53 Y54 K55 P59 | V53-F57 HydrophobicContact CG1-CD2 4.26Å; V53-F57 HydrophobicContact CG1-CE2 3.83Å; V53-F57 WeakPolarHBondContact O-CD2 3.47Å; Y54-F57 PolarHBondContact O-N 3.17Å; K55-F57 VanDerWaalsContact C-N 3.27Å; K55-F57 PolarHBondContact O-N 3.28Å; F57-P59 VanDerWaalsContact O-CD 3.31Å; F57-P59 WeakPolarHBondContact O-CD 3.12Å |
| 58 | F | 72.4 | Confident | 83.1 | Confident | 46 Ų | 46 | 66.6 Ų | 66.6 | 20% | 0.202 | 35% | 0.354 | C | S | . | . | trans | -121.6 | 63.2 | -177.7 | -60.4 | -83.4 | 0 | 0 | 0 | 111.3 | Y54 K55 S60 G61 M133 L134 M188 | Y54-F58 HydrophobicContact CD1-CD2 4.16Å; Y54-F58 HydrophobicContact CD1-CE2 4.1Å; Y54-F58 HydrophobicContact CE1-CE2 4.44Å; Y54-F58 PolarHBondContact O-N 3.29Å; K55-F58 CarbonylContact O-C 3.59Å; F58-S60 PolarHBondContact O-N 2.91Å; F58-S60 VanDerWaalsContact O-N 3.14Å; F58-G61 PolarHBondContact O-N 3.17Å; F58-M133 HydrophobicContact CB-CG 4.27Å; F58-M133 HydrophobicContact CD1-CE 4.39Å; F58-M133 HydrophobicContact CD1-CG 4.33Å; F58-M133 HydrophobicContact CD2-CG 4.3Å; F58-M133 HydrophobicContact CD2-SD 4.07Å; F58-M133 HydrophobicContact CE1-CE 4.02Å; F58-M133 HydrophobicContact CE2-CE 4.38Å; F58-M133 HydrophobicContact CE2-SD 4.05Å; F58-M133 HydrophobicContact CG-CG 4.05Å; F58-M133 HydrophobicContact CG-SD 4.32Å; F58-M133 HydrophobicContact CZ-CE 4.01Å; F58-M133 HydrophobicContact CZ-SD 4.29Å; F58-L134 HydrophobicContact CE1-CD2 4.31Å; F58-M188 HydrophobicContact CE1-SD 4.15Å; F58-M188 HydrophobicContact CZ-SD 4.47Å | ||
| 59 | P | 74.6 | Confident | 83.2 | Confident | 111 Ų | 111 | 61.8 Ų | 61.8 | 72% | 0.721 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -17 | -172.5 | 28.5 | -37 | 0 | 0 | 0 | 113.9 | K55 F57 | K55-P59 WeakPolarHBondContact O-CA 3.41Å; F57-P59 VanDerWaalsContact O-CD 3.31Å; F57-P59 WeakPolarHBondContact O-CD 3.12Å |
| 60 | S | 75.3 | Confident | 83.2 | Confident | 86 Ų | 86 | 58.5 Ų | 58.5 | 60% | 0.601 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -8.2 | -175.2 | 52.3 | 0 | 0 | 0 | 0 | 114.7 | F58 | F58-S60 PolarHBondContact O-N 2.91Å; F58-S60 VanDerWaalsContact O-N 3.14Å |
| 61 | G | 74.8 | Confident | 83.4 | Confident | 25 Ų | 25 | 58.1 Ų | 58.1 | 26% | 0.258 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -125.4 | -177.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F58 D132 M133 | F58-G61 PolarHBondContact O-N 3.17Å; G61-D132 WeakPolarHBondContact CA-O 3.34Å; G61-M133 WeakPolarHBondContact CA-O 3.27Å |
| 62 | S | 84.4 | Confident | 83.6 | Confident | 53 Ų | 53 | 60.4 Ų | 60.4 | 37% | 0.371 | 32% | 0.318 | S | S | . | . | trans | -104.3 | 88.4 | 176.9 | 174.6 | 0 | 0 | 0 | 0 | 109.1 | E64 D132 M133 | S62-E64 VanDerWaalsContact C-OE2 3.3Å; S62-E64 WeakPolarHBondContact CA-OE2 3.48Å; S62-E64 PolarHBondContact O-N 3.3Å; S62-E64 PolarHBondContact OG-OE2 3.36Å; S62-D132 PolarHBondContact N-O 3Å; S62-M133 PolarHBondContact O-N 3.06Å | ||
| 63 | A | 83.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -73.3 | -9.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A65 F66 C67 M133 | A63-A65 PolarHBondContact O-N 3.3Å; A63-F66 PolarHBondContact O-N 3.5Å; A63-C67 VanDerWaalsContact O-CB 3.29Å; A63-C67 WeakPolarHBondContact O-CB 3.4Å; A63-C67 PolarHBondContact O-N 2.91Å; A63-C67 PolarHBondContact O-SG 3.02Å; A63-M133 HydrophobicContact CB-CG 3.93Å | ||
| 64 | E | 88.7 | Confident | 84.2 | Confident | 68 Ų | 68 | 51.8 Ų | 51.8 | 32% | 0.318 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -55.6 | -50.3 | -170.8 | -73.8 | 86.6 | 156.9 | 0 | 0 | 113.7 | I51 K55 S62 C67 E68 | I51-E64 HydrophobicContact CG2-CG 4.16Å; K55-E64 WeakPolarHBondContact CE-OE1 3.3Å; K55-E64 IonicContact NZ-OE1 2.63Å; K55-E64 PolarHBondContact NZ-OE1 3.19Å; S62-E64 VanDerWaalsContact C-OE2 3.3Å; S62-E64 WeakPolarHBondContact CA-OE2 3.48Å; S62-E64 PolarHBondContact O-N 3.3Å; S62-E64 PolarHBondContact OG-OE2 3.36Å; E64-C67 PolarHBondContact O-N 3.47Å; E64-E68 PolarHBondContact O-N 3.2Å |
| 65 | A | 89 | Confident | 85 | Confident | 35 Ų | 35 | 49.8 Ų | 49.8 | 29% | 0.289 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.5 | -43.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111.2 | A63 C67 E68 H69 A129 | A63-A65 PolarHBondContact O-N 3.3Å; A65-C67 PolarHBondContact O-N 3.29Å; A65-E68 WeakPolarHBondContact O-CB 3.4Å; A65-E68 PolarHBondContact O-N 3.45Å; A65-H69 PolarHBondContact O-CD2 3.19Å; A65-H69 PolarHBondContact O-N 2.92Å; A65-A129 HydrophobicContact CB-CB 3.85Å |
| 66 | F | 87.6 | Confident | 85.2 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 4% | 0.035 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 177.3 | -175.2 | -103.2 | 0 | 0 | 0 | 111.3 | Y54 A63 E68 H69 V70 M109 A129 I130 M133 N186 | Y54-F66 HydrophobicContact CE1-CD1 4.22Å; Y54-F66 HydrophobicContact CE1-CE1 4.09Å; A63-F66 PolarHBondContact O-N 3.5Å; F66-E68 PolarHBondContact O-N 3.28Å; F66-H69 PolarHBondContact O-N 3.33Å; F66-V70 HydrophobicContact CD1-CG2 3.87Å; F66-V70 HydrophobicContact CE1-CG2 3.46Å; F66-V70 VanDerWaalsContact CE1-CG2 3.46Å; F66-V70 HydrophobicContact CE2-CG2 4.34Å; F66-V70 HydrophobicContact CG-CG2 4.48Å; F66-V70 HydrophobicContact CZ-CG2 3.71Å; F66-V70 WeakPolarHBondContact O-CG2 3.34Å; F66-V70 PolarHBondContact O-N 3.48Å; F66-M109 HydrophobicContact CE2-SD 3.72Å; F66-M109 HydrophobicContact CZ-CE 4.33Å; F66-M109 HydrophobicContact CZ-SD 4.02Å; F66-A129 HydrophobicContact CB-CB 4.23Å; F66-I130 HydrophobicContact CD2-CG1 3.71Å; F66-I130 HydrophobicContact CE2-CD1 4.29Å; F66-I130 HydrophobicContact CE2-CG1 3.7Å; F66-M133 HydrophobicContact CB-CB 4.21Å; F66-M133 HydrophobicContact CB-SD 4.11Å; F66-M133 HydrophobicContact CD1-CE 4.29Å; F66-M133 HydrophobicContact CD1-SD 3.32Å; F66-M133 WeakPolarHBondContact CD1-SD 3.46Å; F66-M133 HydrophobicContact CE1-CE 4.43Å; F66-M133 HydrophobicContact CE1-SD 3.9Å; F66-M133 HydrophobicContact CG-SD 3.8Å; F66-N186 WeakPolarHBondContact CZ-ND2 3.42Å |
| 67 | C | 89.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.7 | -36.2 | 176.3 | -72.1 | 0 | 0 | 0 | 0 | 112.2 | F50 I51 Y54 A63 E64 A65 V70 F71 | F50-C67 HydrophobicContact CD1-CB 4.09Å; F50-C67 HydrophobicContact CE1-CB 4.16Å; I51-C67 HydrophobicContact CG1-CB 3.6Å; Y54-C67 WeakPolarHBondContact CB-SG 3.29Å; A63-C67 VanDerWaalsContact O-CB 3.29Å; A63-C67 WeakPolarHBondContact O-CB 3.4Å; A63-C67 PolarHBondContact O-N 2.91Å; A63-C67 PolarHBondContact O-SG 3.02Å; E64-C67 PolarHBondContact O-N 3.47Å; A65-C67 PolarHBondContact O-N 3.29Å; C67-V70 PolarHBondContact O-N 3.1Å; C67-F71 WeakPolarHBondContact O-CB 3.45Å; C67-F71 PolarHBondContact O-N 2.97Å |
| 68 | E | 91 | Very high | 86.4 | Confident | 103 Ų | 103 | 47.1 Ų | 47.1 | 48% | 0.481 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 176.1 | 174.3 | 153.2 | -146.2 | 0 | 0 | 112.4 | K47 E64 A65 F66 F71 R72 | K47-E68 IonicContact NZ-OE1 3.69Å; K47-E68 PolarHBondContact NZ-OE1 2.89Å; K47-E68 IonicContact NZ-OE2 3.92Å; K47-E68 PolarHBondContact NZ-OE2 3.42Å; E64-E68 PolarHBondContact O-N 3.2Å; A65-E68 WeakPolarHBondContact O-CB 3.4Å; A65-E68 PolarHBondContact O-N 3.45Å; F66-E68 PolarHBondContact O-N 3.28Å; E68-F71 PolarHBondContact O-N 3.42Å; E68-R72 PolarHBondContact O-N 2.86Å |
| 69 | H | 90.9 | Very high | 87.4 | Confident | 26 Ų | 26 | 47.5 Ų | 47.5 | 12% | 0.12 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 176.1 | -66.1 | -58.1 | 0 | 0 | 0 | 112 | A65 F66 F71 R72 T73 M109 I126 | A65-H69 PolarHBondContact O-CD2 3.19Å; A65-H69 PolarHBondContact O-N 2.92Å; F66-H69 PolarHBondContact O-N 3.33Å; H69-F71 PolarHBondContact O-N 2.8Å; H69-R72 PolarHBondContact ND1-NH1 3.38Å; H69-R72 PolarHBondContact O-N 2.91Å; H69-T73 WeakPolarHBondContact O-CG2 2.93Å; H69-T73 PolarHBondContact O-N 3.06Å; H69-M109 HydrophobicContact CB-CG 3.95Å; H69-I126 HydrophobicContact CB-CD1 3.8Å; H69-I126 WeakPolarHBondContact CD2-CD1 3.47Å; H69-I126 WeakPolarHBondContact ND1-CD1 3.22Å |
| 70 | V | 89.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.3 | -47 | 176.2 | 176.4 | 0 | 0 | 0 | 0 | 111 | F50 F66 C67 R72 T73 F74 W105 M109 | F50-V70 HydrophobicContact CE1-CB 4.07Å; F50-V70 HydrophobicContact CE1-CG1 3.88Å; F50-V70 HydrophobicContact CZ-CB 4.17Å; F50-V70 HydrophobicContact CZ-CG1 3.45Å; F50-V70 VanDerWaalsContact CZ-CG1 3.45Å; F66-V70 HydrophobicContact CD1-CG2 3.87Å; F66-V70 HydrophobicContact CE1-CG2 3.46Å; F66-V70 VanDerWaalsContact CE1-CG2 3.46Å; F66-V70 HydrophobicContact CE2-CG2 4.34Å; F66-V70 HydrophobicContact CG-CG2 4.48Å; F66-V70 HydrophobicContact CZ-CG2 3.71Å; F66-V70 WeakPolarHBondContact O-CG2 3.34Å; F66-V70 PolarHBondContact O-N 3.48Å; C67-V70 PolarHBondContact O-N 3.1Å; V70-R72 VanDerWaalsContact C-N 3.33Å; V70-R72 PolarHBondContact O-N 3.43Å; V70-T73 PolarHBondContact O-N 2.98Å; V70-T73 VanDerWaalsContact O-N 3.08Å; V70-T73 PolarHBondContact O-OG1 3.49Å; V70-F74 HydrophobicContact CG1-CD2 3.89Å; V70-F74 HydrophobicContact CG1-CE2 3.34Å; V70-F74 HydrophobicContact CG1-CZ 3.84Å; V70-F74 PolarHBondContact O-N 3.5Å; V70-W105 HydrophobicContact CG1-CZ2 4.2Å; V70-M109 HydrophobicContact CG2-CE 3.71Å; V70-M109 HydrophobicContact CG2-SD 4.1Å |
| 71 | F | 91.6 | Very high | 89.1 | Confident | 12 Ų | 12 | 44.2 Ų | 44.2 | 5% | 0.053 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.2 | -45.5 | -179.1 | -171.1 | -81.2 | 0 | 0 | 0 | 111.3 | K47 F50 C67 E68 H69 T73 F74 D75 G80 I82 | K47-F71 HydrophobicContact CB-CD2 4.31Å; K47-F71 HydrophobicContact CB-CE2 4.15Å; K47-F71 HydrophobicContact CB-CZ 4.32Å; K47-F71 HydrophobicContact CG-CD2 4.5Å; F50-F71 HydrophobicContact CB-CD2 3.93Å; F50-F71 HydrophobicContact CB-CE2 4.29Å; F50-F71 HydrophobicContact CD1-CB 4.34Å; F50-F71 HydrophobicContact CD1-CD2 4.14Å; F50-F71 AromaticContact CG-CD2 3.96Å; F50-F71 HydrophobicContact CG-CD2 3.96Å; C67-F71 WeakPolarHBondContact O-CB 3.45Å; C67-F71 PolarHBondContact O-N 2.97Å; E68-F71 PolarHBondContact O-N 3.42Å; H69-F71 PolarHBondContact O-N 2.8Å; F71-T73 PolarHBondContact O-N 3.32Å; F71-F74 PolarHBondContact O-N 3.19Å; F71-D75 HydrophobicContact CD1-CB 4.11Å; F71-D75 HydrophobicContact CE1-CB 3.9Å; F71-D75 WeakPolarHBondContact O-CB 3.14Å; F71-D75 PolarHBondContact O-N 3.31Å; F71-G80 WeakPolarHBondContact CZ-O 3.3Å; F71-I82 HydrophobicContact CD2-CD1 3.44Å; F71-I82 VanDerWaalsContact CD2-CD1 3.44Å; F71-I82 HydrophobicContact CD2-CG1 4.01Å; F71-I82 HydrophobicContact CE1-CG1 4.3Å; F71-I82 HydrophobicContact CE2-CB 4.48Å; F71-I82 HydrophobicContact CE2-CD1 3.53Å; F71-I82 HydrophobicContact CE2-CG1 3.66Å; F71-I82 HydrophobicContact CG-CD1 4.04Å; F71-I82 HydrophobicContact CG-CG1 4.48Å; F71-I82 HydrophobicContact CZ-CD1 4.2Å; F71-I82 HydrophobicContact CZ-CG1 3.83Å |
| 72 | R | 91.4 | Very high | 90 | Very high | 68 Ų | 68 | 43.1 Ų | 43.1 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.1 | -37.3 | 176.2 | -174.9 | -169.4 | 68.3 | -142.2 | -2.5 | 112.7 | E68 H69 V70 F74 R108 M109 D111 I112 | E68-R72 PolarHBondContact O-N 2.86Å; H69-R72 PolarHBondContact ND1-NH1 3.38Å; H69-R72 PolarHBondContact O-N 2.91Å; V70-R72 VanDerWaalsContact C-N 3.33Å; V70-R72 PolarHBondContact O-N 3.43Å; R72-F74 VanDerWaalsContact C-N 3.26Å; R72-F74 PolarHBondContact O-N 3.06Å; R72-R108 PolarHBondContact NH2-O 3.29Å; R72-M109 PolarHBondContact NH2-O 3.49Å; R72-D111 PolarHBondContact NH2-O 3.42Å; R72-I112 PolarHBondContact NH1-O 2.64Å |
| 73 | T | 89.5 | Confident | 90.5 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.3 | -19.2 | 179.1 | 66.8 | 0 | 0 | 0 | 0 | 114.2 | H69 V70 F71 W105 R108 M109 | H69-T73 WeakPolarHBondContact O-CG2 2.93Å; H69-T73 PolarHBondContact O-N 3.06Å; V70-T73 PolarHBondContact O-N 2.98Å; V70-T73 VanDerWaalsContact O-N 3.08Å; V70-T73 PolarHBondContact O-OG1 3.49Å; F71-T73 PolarHBondContact O-N 3.32Å; T73-W105 PolarHBondContact OG1-NE1 2.61Å; T73-R108 HydrophobicContact CG2-CB 4.36Å; T73-R108 WeakPolarHBondContact CG2-O 3.16Å; T73-M109 HydrophobicContact CG2-CB 3.78Å; T73-M109 HydrophobicContact CG2-CG 4.23Å |
| 74 | F | 90.5 | Very high | 91 | Very high | 19 Ų | 19 | 43.4 Ų | 43.4 | 8% | 0.083 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -95.9 | -36 | 178.5 | -63.4 | -26.1 | 0 | 0 | 0 | 112.3 | F50 V70 F71 R72 T76 I82 E86 A90 T94 W105 | F50-F74 HydrophobicContact CE2-CD2 4.22Å; F50-F74 HydrophobicContact CE2-CE2 4.2Å; F50-F74 HydrophobicContact CZ-CD2 4.28Å; F50-F74 HydrophobicContact CZ-CE2 4.11Å; V70-F74 HydrophobicContact CG1-CD2 3.89Å; V70-F74 HydrophobicContact CG1-CE2 3.34Å; V70-F74 HydrophobicContact CG1-CZ 3.84Å; V70-F74 PolarHBondContact O-N 3.5Å; F71-F74 PolarHBondContact O-N 3.19Å; R72-F74 VanDerWaalsContact C-N 3.26Å; R72-F74 PolarHBondContact O-N 3.06Å; F74-T76 PolarHBondContact O-N 3.45Å; F74-I82 HydrophobicContact CB-CD1 3.67Å; F74-I82 HydrophobicContact CB-CG1 4Å; F74-I82 HydrophobicContact CD2-CD1 4.08Å; F74-I82 HydrophobicContact CG-CD1 4.4Å; F74-E86 VanDerWaalsContact O-CB 3.3Å; F74-E86 WeakPolarHBondContact O-CB 3.44Å; F74-E86 VanDerWaalsContact O-CD 3.3Å; F74-E86 WeakPolarHBondContact O-CG 3.28Å; F74-A90 HydrophobicContact CB-CB 4.39Å; F74-A90 HydrophobicContact CD1-CB 3.32Å; F74-A90 HydrophobicContact CD2-CB 3.81Å; F74-A90 HydrophobicContact CE1-CB 3.29Å; F74-A90 HydrophobicContact CE2-CB 3.79Å; F74-A90 HydrophobicContact CG-CB 3.59Å; F74-A90 HydrophobicContact CZ-CB 3.56Å; F74-T94 HydrophobicContact CZ-CG2 4.22Å; F74-W105 AromaticContact CD1-NE1 3.76Å; F74-W105 AromaticContact CE1-CE2 3.57Å; F74-W105 AromaticContact CE1-CZ2 3.63Å; F74-W105 HydrophobicContact CE1-CZ2 3.63Å; F74-W105 AromaticContact CE1-NE1 3.21Å; F74-W105 AromaticContact CZ-CE2 3.99Å; F74-W105 HydrophobicContact CZ-CH2 4.47Å; F74-W105 AromaticContact CZ-CZ2 3.54Å; F74-W105 HydrophobicContact CZ-CZ2 3.54Å |
| 75 | D | 92.6 | Very high | 91.2 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 6% | 0.059 | 23% | 0.234 | C | C | . | . | trans | -73.8 | 73.5 | 171.4 | -177.2 | 9.7 | 0 | 0 | 0 | 110.1 | F71 D77 N78 S79 G80 I82 | F71-D75 HydrophobicContact CD1-CB 4.11Å; F71-D75 HydrophobicContact CE1-CB 3.9Å; F71-D75 WeakPolarHBondContact O-CB 3.14Å; F71-D75 PolarHBondContact O-N 3.31Å; D75-D77 VanDerWaalsContact C-N 3.27Å; D75-D77 PolarHBondContact O-N 3.01Å; D75-D77 VanDerWaalsContact OD1-OD1 3.12Å; D75-N78 PolarHBondContact O-N 3.08Å; D75-N78 VanDerWaalsContact OD1-CA 3.24Å; D75-N78 WeakPolarHBondContact OD1-CA 3.31Å; D75-N78 PolarHBondContact OD1-N 2.82Å; D75-S79 PolarHBondContact OD1-N 2.89Å; D75-S79 PolarHBondContact OD1-OG 3.31Å; D75-G80 WeakPolarHBondContact OD2-CA 3.36Å; D75-G80 PolarHBondContact OD2-N 3.18Å; D75-I82 HydrophobicContact CB-CG1 4.47Å | ||
| 76 | T | 87.3 | Confident | 91.4 | Very high | 84 Ų | 84 | 41.9 Ų | 41.9 | 52% | 0.515 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -25 | -174.5 | 55.6 | 0 | 0 | 0 | 0 | 113.3 | F74 E86 | F74-T76 PolarHBondContact O-N 3.45Å; T76-E86 PolarHBondContact N-OE1 2.93Å; T76-E86 PolarHBondContact OG1-OE1 2.91Å |
| 77 | D | 90.4 | Very high | 91.7 | Very high | 100 Ų | 100 | 43.6 Ų | 43.6 | 54% | 0.535 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -0.4 | 176.2 | 76.2 | -0.9 | 0 | 0 | 0 | 113.9 | D75 S79 E86 | D75-D77 VanDerWaalsContact C-N 3.27Å; D75-D77 PolarHBondContact O-N 3.01Å; D75-D77 VanDerWaalsContact OD1-OD1 3.12Å; D77-S79 PolarHBondContact O-N 3.36Å; D77-S79 WeakPolarHBondContact OD1-CB 3.32Å; D77-S79 PolarHBondContact OD1-N 3.4Å; D77-S79 PolarHBondContact OD1-OG 3.25Å; D77-E86 PolarHBondContact N-OE1 3.35Å |
| 78 | N | 89.8 | Confident | 91.8 | Very high | 124 Ų | 124 | 43.6 Ų | 43.6 | 66% | 0.663 | 23% | 0.229 | S | C | * | . | trans | 55.1 | 34 | -177.3 | -58.3 | -77.3 | 0 | 0 | 0 | 113.1 | D75 G80 | D75-N78 PolarHBondContact O-N 3.08Å; D75-N78 VanDerWaalsContact OD1-CA 3.24Å; D75-N78 WeakPolarHBondContact OD1-CA 3.31Å; D75-N78 PolarHBondContact OD1-N 2.82Å; N78-G80 PolarHBondContact O-N 2.69Å | ||
| 79 | S | 92.9 | Very high | 91.9 | Very high | 54 Ų | 54 | 40.7 Ų | 40.7 | 38% | 0.378 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -71.3 | -13.1 | 177.4 | 65 | 0 | 0 | 0 | 0 | 113.1 | D75 D77 F81 | D75-S79 PolarHBondContact OD1-N 2.89Å; D75-S79 PolarHBondContact OD1-OG 3.31Å; D77-S79 PolarHBondContact O-N 3.36Å; D77-S79 WeakPolarHBondContact OD1-CB 3.32Å; D77-S79 PolarHBondContact OD1-N 3.4Å; D77-S79 PolarHBondContact OD1-OG 3.25Å; S79-F81 VanDerWaalsContact C-N 3.28Å; S79-F81 VanDerWaalsContact O-CD2 3.29Å; S79-F81 WeakPolarHBondContact O-CD2 3.29Å; S79-F81 PolarHBondContact OG-N 2.66Å; S79-F81 PolarHBondContact OG-O 2.89Å |
| 80 | G | 92.9 | Very high | 91.7 | Very high | 39 Ų | 39 | 39.9 Ų | 39.9 | 40% | 0.402 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 82.4 | 7.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F71 D75 N78 | F71-G80 WeakPolarHBondContact CZ-O 3.3Å; D75-G80 WeakPolarHBondContact OD2-CA 3.36Å; D75-G80 PolarHBondContact OD2-N 3.18Å; N78-G80 PolarHBondContact O-N 2.69Å |
| 81 | F | 93.8 | Very high | 91.7 | Very high | 90 Ų | 90 | 41.9 Ų | 41.9 | 40% | 0.395 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 148.5 | -176.7 | -54.9 | -71 | 0 | 0 | 0 | 109.9 | H44 T46 S79 | H44-F81 HydrophobicContact CB-CB 3.92Å; H44-F81 AromaticContact CD2-CD1 3.19Å; H44-F81 WeakPolarHBondContact CD2-CD1 3.46Å; H44-F81 AromaticContact CD2-CE1 3.74Å; H44-F81 AromaticContact CD2-CG 3.57Å; H44-F81 AromaticContact NE2-CD1 3.72Å; H44-F81 AromaticContact NE2-CE1 3.75Å; T46-F81 HydrophobicContact CG2-CD1 4.02Å; T46-F81 HydrophobicContact CG2-CE1 3.99Å; S79-F81 VanDerWaalsContact C-N 3.28Å; S79-F81 VanDerWaalsContact O-CD2 3.29Å; S79-F81 WeakPolarHBondContact O-CD2 3.29Å; S79-F81 PolarHBondContact OG-N 2.66Å; S79-F81 PolarHBondContact OG-O 2.89Å |
| 82 | I | 93.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 113.1 | 170.3 | -65.9 | 168.2 | 0 | 0 | 0 | 107.7 | H44 L45 F50 F71 F74 D75 E86 F87 | H44-I82 CarbonylContact C-O 3.49Å; H44-I82 WeakPolarHBondContact CA-O 3.44Å; L45-I82 HydrophobicContact CB-CB 4.24Å; L45-I82 PolarHBondContact N-O 3.39Å; L45-I82 PolarHBondContact O-N 3.32Å; F50-I82 HydrophobicContact CD2-CD1 4.27Å; F71-I82 HydrophobicContact CD2-CD1 3.44Å; F71-I82 VanDerWaalsContact CD2-CD1 3.44Å; F71-I82 HydrophobicContact CD2-CG1 4.01Å; F71-I82 HydrophobicContact CE1-CG1 4.3Å; F71-I82 HydrophobicContact CE2-CB 4.48Å; F71-I82 HydrophobicContact CE2-CD1 3.53Å; F71-I82 HydrophobicContact CE2-CG1 3.66Å; F71-I82 HydrophobicContact CG-CD1 4.04Å; F71-I82 HydrophobicContact CG-CG1 4.48Å; F71-I82 HydrophobicContact CZ-CD1 4.2Å; F71-I82 HydrophobicContact CZ-CG1 3.83Å; F74-I82 HydrophobicContact CB-CD1 3.67Å; F74-I82 HydrophobicContact CB-CG1 4Å; F74-I82 HydrophobicContact CD2-CD1 4.08Å; F74-I82 HydrophobicContact CG-CD1 4.4Å; D75-I82 HydrophobicContact CB-CG1 4.47Å; I82-E86 WeakPolarHBondContact CA-OE2 3.36Å; I82-E86 HydrophobicContact CG2-CB 3.8Å; I82-F87 HydrophobicContact CG2-CB 3.88Å |
| 83 | D | 93.7 | Very high | 91.2 | Very high | 47 Ų | 47 | 39.8 Ų | 39.8 | 25% | 0.251 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 176.6 | 174.5 | 87.7 | 11.3 | 0 | 0 | 0 | 112 | K85 E86 F87 | D83-K85 VanDerWaalsContact C-N 3.32Å; D83-K85 PolarHBondContact O-N 3.49Å; D83-K85 WeakPolarHBondContact OD1-CA 3.48Å; D83-K85 VanDerWaalsContact OD1-CB 3.32Å; D83-K85 WeakPolarHBondContact OD1-CB 3.49Å; D83-K85 PolarHBondContact OD1-N 2.91Å; D83-E86 PolarHBondContact N-OE2 3.46Å; D83-E86 PolarHBondContact O-N 3.31Å; D83-E86 PolarHBondContact OD1-N 3.29Å; D83-F87 VanDerWaalsContact O-CB 3.3Å; D83-F87 WeakPolarHBondContact O-CB 3.37Å; D83-F87 PolarHBondContact O-N 3.26Å |
| 84 | F | 93.9 | Very high | 90.7 | Very high | 11 Ų | 11 | 42.1 Ų | 42.1 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.2 | -36.5 | -179.1 | 176.2 | -109.4 | 0 | 0 | 0 | 113.6 | L10 L18 I29 W32 Y33 F36 F87 L88 | L10-F84 HydrophobicContact CD1-CD1 3.8Å; L10-F84 HydrophobicContact CD1-CE1 3.87Å; L10-F84 HydrophobicContact CD2-CE1 4.4Å; L18-F84 HydrophobicContact CD1-CD1 4.1Å; L18-F84 HydrophobicContact CD1-CE1 3.72Å; I29-F84 HydrophobicContact CG2-CE1 3.93Å; I29-F84 HydrophobicContact CG2-CZ 4.18Å; I29-F84 WeakPolarHBondContact O-CZ 3.31Å; W32-F84 HydrophobicContact CB-CE2 3.97Å; W32-F84 HydrophobicContact CB-CZ 4.02Å; Y33-F84 VanDerWaalsContact CA-CZ 3.5Å; Y33-F84 HydrophobicContact CD2-CB 4.18Å; Y33-F84 AromaticContact CD2-CD1 3.48Å; Y33-F84 HydrophobicContact CD2-CD1 3.48Å; Y33-F84 VanDerWaalsContact CD2-CD1 3.48Å; Y33-F84 AromaticContact CD2-CD2 3.83Å; Y33-F84 HydrophobicContact CD2-CD2 3.83Å; Y33-F84 AromaticContact CD2-CE1 3.72Å; Y33-F84 HydrophobicContact CD2-CE1 3.72Å; Y33-F84 HydrophobicContact CD2-CE2 4.07Å; Y33-F84 AromaticContact CD2-CG 3.52Å; Y33-F84 HydrophobicContact CD2-CG 3.52Å; Y33-F84 HydrophobicContact CD2-CZ 4.01Å; Y33-F84 HydrophobicContact CE2-CB 4.26Å; Y33-F84 HydrophobicContact CE2-CD1 4.14Å; Y33-F84 HydrophobicContact CE2-CG 4.08Å; Y33-F84 HydrophobicContact CG-CD1 4.42Å; Y33-F84 HydrophobicContact CG-CE1 4.24Å; Y33-F84 HydrophobicContact CG-CZ 4.31Å; F36-F84 HydrophobicContact CB-CD2 3.68Å; F36-F84 HydrophobicContact CB-CE2 4.05Å; F36-F84 HydrophobicContact CD1-CB 3.91Å; F36-F84 AromaticContact CD1-CD2 3.85Å; F36-F84 HydrophobicContact CD1-CD2 3.85Å; F36-F84 HydrophobicContact CD1-CG 4.33Å; F36-F84 HydrophobicContact CD2-CD2 4.27Å; F36-F84 HydrophobicContact CE1-CB 3.92Å; F36-F84 AromaticContact CG-CD2 3.68Å; F36-F84 HydrophobicContact CG-CD2 3.68Å; F36-F84 HydrophobicContact CG-CE2 4.48Å; F84-F87 HydrophobicContact CD2-CD1 4.37Å; F84-F87 HydrophobicContact CE2-CD1 4.44Å; F84-L88 HydrophobicContact CE1-CD2 4.42Å; F84-L88 HydrophobicContact CZ-CD2 4.12Å; F84-L88 WeakPolarHBondContact O-CB 3.3Å; F84-L88 PolarHBondContact O-N 3.26Å |
| 85 | K | 93.8 | Very high | 90.2 | Very high | 64 Ų | 64 | 44.9 Ų | 44.9 | 28% | 0.278 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.1 | -47.1 | 179.5 | -72.2 | -175.2 | -68.8 | -157.4 | 0 | 110.3 | D14 F17 L18 D83 F87 L88 L89 | D14-K85 HydrophobicContact CB-CD 3.92Å; D14-K85 HydrophobicContact CB-CG 4.12Å; D14-K85 VanDerWaalsContact OD1-CD 3.22Å; D14-K85 WeakPolarHBondContact OD1-CD 3.37Å; D14-K85 WeakPolarHBondContact OD1-CE 3.49Å; D14-K85 IonicContact OD1-NZ 2.82Å; D14-K85 PolarHBondContact OD1-NZ 3.4Å; F17-K85 HydrophobicContact CD1-CD 4.22Å; L18-K85 HydrophobicContact CD1-CG 4.16Å; L18-K85 HydrophobicContact CD2-CB 4.27Å; L18-K85 HydrophobicContact CD2-CG 4.36Å; L18-K85 HydrophobicContact CG-CG 4.25Å; D83-K85 VanDerWaalsContact C-N 3.32Å; D83-K85 PolarHBondContact O-N 3.49Å; D83-K85 WeakPolarHBondContact OD1-CA 3.48Å; D83-K85 VanDerWaalsContact OD1-CB 3.32Å; D83-K85 WeakPolarHBondContact OD1-CB 3.49Å; D83-K85 PolarHBondContact OD1-N 2.91Å; K85-F87 VanDerWaalsContact C-N 3.34Å; K85-L88 PolarHBondContact O-N 3Å; K85-L89 WeakPolarHBondContact O-CB 3.37Å; K85-L89 VanDerWaalsContact O-CG 3.31Å; K85-L89 WeakPolarHBondContact O-CG 3.33Å; K85-L89 PolarHBondContact O-N 3.38Å |
| 86 | E | 94.2 | Very high | 89.3 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 178.4 | -71.1 | 178.8 | 141.8 | 0 | 0 | 111.4 | F74 T76 D77 I82 D83 L88 L89 A90 | F74-E86 VanDerWaalsContact O-CB 3.3Å; F74-E86 WeakPolarHBondContact O-CB 3.44Å; F74-E86 VanDerWaalsContact O-CD 3.3Å; F74-E86 WeakPolarHBondContact O-CG 3.28Å; T76-E86 PolarHBondContact N-OE1 2.93Å; T76-E86 PolarHBondContact OG1-OE1 2.91Å; D77-E86 PolarHBondContact N-OE1 3.35Å; I82-E86 WeakPolarHBondContact CA-OE2 3.36Å; I82-E86 HydrophobicContact CG2-CB 3.8Å; D83-E86 PolarHBondContact N-OE2 3.46Å; D83-E86 PolarHBondContact O-N 3.31Å; D83-E86 PolarHBondContact OD1-N 3.29Å; E86-L88 VanDerWaalsContact C-N 3.34Å; E86-L88 PolarHBondContact O-N 2.81Å; E86-L89 PolarHBondContact O-N 3.45Å; E86-A90 VanDerWaalsContact O-CB 3.3Å; E86-A90 WeakPolarHBondContact O-CB 3.36Å; E86-A90 PolarHBondContact O-N 2.98Å |
| 87 | F | 92.9 | Very high | 88.5 | Confident | 43 Ų | 43 | 43.5 Ų | 43.5 | 19% | 0.189 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.2 | -48.1 | 172.7 | 171.2 | -101.7 | 0 | 0 | 0 | 111.9 | W32 F36 I82 D83 F84 K85 A90 I91 | W32-F87 AromaticContact CE3-CE1 3.67Å; W32-F87 HydrophobicContact CE3-CE1 3.67Å; W32-F87 HydrophobicContact CE3-CZ 4.02Å; W32-F87 AromaticContact CZ3-CE1 3.94Å; W32-F87 HydrophobicContact CZ3-CE1 3.94Å; W32-F87 AromaticContact CZ3-CZ 3.8Å; W32-F87 HydrophobicContact CZ3-CZ 3.8Å; F36-F87 HydrophobicContact CD2-CB 4.2Å; F36-F87 AromaticContact CD2-CD1 3.69Å; F36-F87 HydrophobicContact CD2-CD1 3.69Å; F36-F87 HydrophobicContact CD2-CD2 4.31Å; F36-F87 HydrophobicContact CD2-CE1 4.14Å; F36-F87 AromaticContact CD2-CG 3.78Å; F36-F87 HydrophobicContact CD2-CG 3.78Å; F36-F87 HydrophobicContact CE2-CB 3.74Å; F36-F87 HydrophobicContact CE2-CD1 4.11Å; F36-F87 HydrophobicContact CE2-CD2 4.16Å; F36-F87 AromaticContact CE2-CG 3.72Å; F36-F87 HydrophobicContact CE2-CG 3.72Å; F36-F87 HydrophobicContact CZ-CB 4.42Å; I82-F87 HydrophobicContact CG2-CB 3.88Å; D83-F87 VanDerWaalsContact O-CB 3.3Å; D83-F87 WeakPolarHBondContact O-CB 3.37Å; D83-F87 PolarHBondContact O-N 3.26Å; F84-F87 HydrophobicContact CD2-CD1 4.37Å; F84-F87 HydrophobicContact CE2-CD1 4.44Å; K85-F87 VanDerWaalsContact C-N 3.34Å; F87-A90 WeakPolarHBondContact O-CB 3.32Å; F87-A90 PolarHBondContact O-N 3.14Å; F87-I91 HydrophobicContact CD2-CG1 4.36Å; F87-I91 HydrophobicContact CE1-CG1 4.1Å; F87-I91 HydrophobicContact CE2-CD1 4.11Å; F87-I91 HydrophobicContact CE2-CG1 3.89Å; F87-I91 HydrophobicContact CZ-CD1 4.17Å; F87-I91 HydrophobicContact CZ-CG1 3.74Å; F87-I91 WeakPolarHBondContact O-CG1 3.41Å; F87-I91 PolarHBondContact O-N 3.44Å |
| 88 | L | 92.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.5 | -34.7 | -176.2 | -161.3 | 67.6 | 0 | 0 | 0 | 112.7 | L18 F24 I29 W32 F84 K85 E86 I91 N92 | L18-L88 HydrophobicContact CB-CD2 4.44Å; L18-L88 HydrophobicContact CD1-CD2 3.89Å; L18-L88 HydrophobicContact CD2-CB 4.1Å; L18-L88 HydrophobicContact CD2-CD2 4.12Å; L18-L88 HydrophobicContact CG-CD2 4.37Å; F24-L88 HydrophobicContact CD2-CD1 3.85Å; F24-L88 HydrophobicContact CD2-CD2 4Å; F24-L88 HydrophobicContact CD2-CG 3.79Å; F24-L88 HydrophobicContact CE2-CD1 3.71Å; F24-L88 HydrophobicContact CE2-CG 3.93Å; F24-L88 HydrophobicContact CZ-CD1 4.46Å; I29-L88 HydrophobicContact CB-CD2 4.21Å; I29-L88 HydrophobicContact CG1-CD2 3.73Å; I29-L88 HydrophobicContact CG2-CD2 3.97Å; W32-L88 HydrophobicContact CB-CD1 3.87Å; W32-L88 HydrophobicContact CD2-CD1 4.13Å; W32-L88 HydrophobicContact CG-CD1 3.63Å; F84-L88 HydrophobicContact CE1-CD2 4.42Å; F84-L88 HydrophobicContact CZ-CD2 4.12Å; F84-L88 WeakPolarHBondContact O-CB 3.3Å; F84-L88 PolarHBondContact O-N 3.26Å; K85-L88 PolarHBondContact O-N 3Å; E86-L88 VanDerWaalsContact C-N 3.34Å; E86-L88 PolarHBondContact O-N 2.81Å; L88-I91 PolarHBondContact O-N 3.21Å; L88-N92 WeakPolarHBondContact O-CB 3.37Å; L88-N92 PolarHBondContact O-N 3.5Å |
| 89 | L | 91.3 | Very high | 87.7 | Confident | 43 Ų | 43 | 39 Ų | 39 | 23% | 0.225 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -45 | 170.6 | -72.1 | 174.1 | 0 | 0 | 0 | 111 | F17 L18 N21 T22 K85 E86 I91 N92 V93 | F17-L89 HydrophobicContact CE1-CD1 4.03Å; F17-L89 HydrophobicContact CE1-CD2 4.29Å; F17-L89 HydrophobicContact CE1-CG 4.48Å; F17-L89 HydrophobicContact CZ-CD1 4.4Å; L18-L89 HydrophobicContact CD2-CG 4.4Å; N21-L89 HydrophobicContact CB-CD2 4.03Å; T22-L89 HydrophobicContact CG2-CD2 3.95Å; K85-L89 WeakPolarHBondContact O-CB 3.37Å; K85-L89 VanDerWaalsContact O-CG 3.31Å; K85-L89 WeakPolarHBondContact O-CG 3.33Å; K85-L89 PolarHBondContact O-N 3.38Å; E86-L89 PolarHBondContact O-N 3.45Å; L89-I91 PolarHBondContact O-N 2.83Å; L89-N92 WeakPolarHBondContact O-CB 3.39Å; L89-N92 PolarHBondContact O-N 3.45Å; L89-V93 WeakPolarHBondContact O-CG2 3.44Å; L89-V93 PolarHBondContact O-N 3.4Å |
| 90 | A | 88.5 | Confident | 87.1 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 7% | 0.066 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.9 | -48 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F74 E86 F87 N92 V93 T94 | F74-A90 HydrophobicContact CB-CB 4.39Å; F74-A90 HydrophobicContact CD1-CB 3.32Å; F74-A90 HydrophobicContact CD2-CB 3.81Å; F74-A90 HydrophobicContact CE1-CB 3.29Å; F74-A90 HydrophobicContact CE2-CB 3.79Å; F74-A90 HydrophobicContact CG-CB 3.59Å; F74-A90 HydrophobicContact CZ-CB 3.56Å; E86-A90 VanDerWaalsContact O-CB 3.3Å; E86-A90 WeakPolarHBondContact O-CB 3.36Å; E86-A90 PolarHBondContact O-N 2.98Å; F87-A90 WeakPolarHBondContact O-CB 3.32Å; F87-A90 PolarHBondContact O-N 3.14Å; A90-N92 VanDerWaalsContact C-N 3.34Å; A90-N92 PolarHBondContact O-N 2.77Å; A90-V93 PolarHBondContact O-N 3.07Å; A90-T94 WeakPolarHBondContact O-CB 3.13Å; A90-T94 WeakPolarHBondContact O-CG2 3.35Å; A90-T94 PolarHBondContact O-N 2.99Å; A90-T94 PolarHBondContact O-OG1 3.49Å |
| 91 | I | 88.1 | Confident | 86.7 | Confident | 43 Ų | 43 | 43.9 Ų | 43.9 | 22% | 0.221 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.2 | -43 | 176.5 | -67 | -61.7 | 0 | 0 | 0 | 110.9 | F24 W32 F87 L88 L89 V93 T94 S95 | F24-I91 HydrophobicContact CE2-CG2 4.37Å; F24-I91 HydrophobicContact CZ-CG2 3.98Å; W32-I91 HydrophobicContact CH2-CG2 4.42Å; W32-I91 HydrophobicContact CZ2-CG2 4.14Å; F87-I91 HydrophobicContact CD2-CG1 4.36Å; F87-I91 HydrophobicContact CE1-CG1 4.1Å; F87-I91 HydrophobicContact CE2-CD1 4.11Å; F87-I91 HydrophobicContact CE2-CG1 3.89Å; F87-I91 HydrophobicContact CZ-CD1 4.17Å; F87-I91 HydrophobicContact CZ-CG1 3.74Å; F87-I91 WeakPolarHBondContact O-CG1 3.41Å; F87-I91 PolarHBondContact O-N 3.44Å; L88-I91 PolarHBondContact O-N 3.21Å; L89-I91 PolarHBondContact O-N 2.83Å; I91-V93 PolarHBondContact O-N 2.95Å; I91-T94 PolarHBondContact O-N 3.23Å; I91-T94 PolarHBondContact O-OG1 3.38Å; I91-S95 VanDerWaalsContact O-CB 3.24Å; I91-S95 WeakPolarHBondContact O-CB 3.41Å; I91-S95 PolarHBondContact O-N 3.43Å; I91-S95 PolarHBondContact O-OG 2.8Å |
| 92 | N | 88.4 | Confident | 86.2 | Confident | 9 Ų | 9 | 41.7 Ų | 41.7 | 5% | 0.048 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.8 | -46.8 | 179.3 | 179.3 | 74.9 | 0 | 0 | 0 | 112 | T22 N23 F24 L88 L89 A90 S96 G97 | T22-N92 WeakPolarHBondContact CA-OD1 3.19Å; T22-N92 HydrophobicContact CG2-CB 3.85Å; N23-N92 PolarHBondContact N-OD1 3.13Å; F24-N92 HydrophobicContact CE2-CB 4.03Å; L88-N92 WeakPolarHBondContact O-CB 3.37Å; L88-N92 PolarHBondContact O-N 3.5Å; L89-N92 WeakPolarHBondContact O-CB 3.39Å; L89-N92 PolarHBondContact O-N 3.45Å; A90-N92 VanDerWaalsContact C-N 3.34Å; A90-N92 PolarHBondContact O-N 2.77Å; N92-S96 PolarHBondContact O-N 3.29Å; N92-S96 VanDerWaalsContact O-N 3.07Å; N92-S96 PolarHBondContact O-OG 3.3Å; N92-S96 PolarHBondContact OD1-OG 3.26Å; N92-G97 PolarHBondContact O-N 3.35Å |
| 93 | V | 83.9 | Confident | 86 | Confident | 27 Ų | 27 | 41.6 Ų | 41.6 | 16% | 0.164 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.3 | -47.5 | -179.8 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | L89 A90 I91 G97 W105 | L89-V93 WeakPolarHBondContact O-CG2 3.44Å; L89-V93 PolarHBondContact O-N 3.4Å; A90-V93 PolarHBondContact O-N 3.07Å; I91-V93 PolarHBondContact O-N 2.95Å; V93-G97 PolarHBondContact O-N 3.02Å; V93-W105 HydrophobicContact CG1-CB 3.59Å; V93-W105 HydrophobicContact CG1-CD2 4.36Å; V93-W105 HydrophobicContact CG1-CG 3.79Å |
| 94 | T | 79.2 | Confident | 85.7 | Confident | 59 Ų | 59 | 43.9 Ų | 43.9 | 36% | 0.362 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -74.1 | -33.8 | -175.1 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | F74 A90 I91 W105 | F74-T94 HydrophobicContact CZ-CG2 4.22Å; A90-T94 WeakPolarHBondContact O-CB 3.13Å; A90-T94 WeakPolarHBondContact O-CG2 3.35Å; A90-T94 PolarHBondContact O-N 2.99Å; A90-T94 PolarHBondContact O-OG1 3.49Å; I91-T94 PolarHBondContact O-N 3.23Å; I91-T94 PolarHBondContact O-OG1 3.38Å; T94-W105 HydrophobicContact CG2-CH2 4.37Å |
| 95 | S | 80.3 | Confident | 85.5 | Confident | 76 Ų | 76 | 44.7 Ų | 44.7 | 53% | 0.531 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -91.3 | -32.1 | -176 | 65.4 | 0 | 0 | 0 | 0 | 115.1 | I91 | I91-S95 VanDerWaalsContact O-CB 3.24Å; I91-S95 WeakPolarHBondContact O-CB 3.41Å; I91-S95 PolarHBondContact O-N 3.43Å; I91-S95 PolarHBondContact O-OG 2.8Å |
| 96 | S | 73.5 | Confident | 85.3 | Confident | 53 Ų | 53 | 41.7 Ų | 41.7 | 37% | 0.371 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -140.8 | 9.8 | -167.2 | 70.2 | 0 | 0 | 0 | 0 | 114.6 | N23 N92 | N23-S96 PolarHBondContact ND2-OG 2.79Å; N92-S96 PolarHBondContact O-N 3.29Å; N92-S96 VanDerWaalsContact O-N 3.07Å; N92-S96 PolarHBondContact O-OG 3.3Å; N92-S96 PolarHBondContact OD1-OG 3.26Å |
| 97 | G | 72 | Confident | 85.2 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 14% | 0.144 | 23% | 0.229 | C | C | . | . | trans | -66.1 | 147.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N92 V93 | N92-G97 PolarHBondContact O-N 3.35Å; V93-G97 PolarHBondContact O-N 3.02Å | ||
| 98 | T | 81 | Confident | 85.2 | Confident | 68 Ų | 68 | 45.3 Ų | 45.3 | 42% | 0.417 | 24% | 0.241 | S | C | . | . | trans | -62.8 | 158.6 | 164.3 | 70.5 | 0 | 0 | 0 | 0 | 109.4 | E100 K101 K102 | T98-E100 WeakPolarHBondContact CB-OE2 3.37Å; T98-E100 PolarHBondContact O-N 2.94Å; T98-E100 VanDerWaalsContact O-N 3.16Å; T98-E100 PolarHBondContact OG1-OE2 3.23Å; T98-K101 PolarHBondContact O-N 3.29Å; T98-K101 VanDerWaalsContact O-N 3.09Å; T98-K101 PolarHBondContact OG1-N 3.01Å; T98-K102 PolarHBondContact O-N 3.46Å | ||
| 99 | P | 80.5 | Confident | 85.1 | Confident | 62 Ų | 62 | 45.6 Ų | 45.6 | 40% | 0.403 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -49.6 | -40.1 | 175.4 | -28.2 | 36.6 | 0 | 0 | 0 | 112.8 | K102 L103 F181 | P99-K102 WeakPolarHBondContact O-CB 3.44Å; P99-K102 PolarHBondContact O-N 3.4Å; P99-L103 VanDerWaalsContact O-CG 3.29Å; P99-L103 WeakPolarHBondContact O-CG 3.31Å; P99-L103 PolarHBondContact O-N 3.46Å; P99-F181 HydrophobicContact CB-CE2 4.22Å; P99-F181 HydrophobicContact CB-CZ 4.25Å |
| 100 | E | 82.4 | Confident | 85.2 | Confident | 86 Ų | 86 | 43.6 Ų | 43.6 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.8 | -47.4 | 179 | -55.1 | 73.9 | -158.6 | 0 | 0 | 111.3 | T98 K102 L103 E104 | T98-E100 WeakPolarHBondContact CB-OE2 3.37Å; T98-E100 PolarHBondContact O-N 2.94Å; T98-E100 VanDerWaalsContact O-N 3.16Å; T98-E100 PolarHBondContact OG1-OE2 3.23Å; E100-K102 VanDerWaalsContact C-N 3.28Å; E100-K102 PolarHBondContact O-N 3.46Å; E100-L103 CarbonylContact O-C 3.43Å; E100-L103 PolarHBondContact O-N 2.78Å; E100-L103 VanDerWaalsContact O-N 3.11Å; E100-E104 WeakPolarHBondContact O-CG 3.5Å; E100-E104 PolarHBondContact O-N 3.45Å |
| 101 | K | 82.9 | Confident | 85.6 | Confident | 109 Ų | 109 | 43.9 Ų | 43.9 | 47% | 0.474 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.4 | -34.5 | 176.7 | -72.9 | -175 | 175.7 | -176.3 | 0 | 112.8 | T98 W105 | T98-K101 PolarHBondContact O-N 3.29Å; T98-K101 VanDerWaalsContact O-N 3.09Å; T98-K101 PolarHBondContact OG1-N 3.01Å; K101-W105 PolarHBondContact O-N 3.35Å; K101-W105 VanDerWaalsContact O-N 3.09Å |
| 102 | K | 84.2 | Confident | 85.9 | Confident | 43 Ų | 43 | 43.3 Ų | 43.3 | 19% | 0.187 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.3 | -41.2 | 173.8 | -70.4 | -175.3 | 175.2 | -166 | 0 | 110.8 | T98 P99 E100 W105 A106 D187 | T98-K102 PolarHBondContact O-N 3.46Å; P99-K102 WeakPolarHBondContact O-CB 3.44Å; P99-K102 PolarHBondContact O-N 3.4Å; E100-K102 VanDerWaalsContact C-N 3.28Å; E100-K102 PolarHBondContact O-N 3.46Å; K102-W105 PolarHBondContact O-N 3.07Å; K102-A106 WeakPolarHBondContact O-CB 3.36Å; K102-A106 PolarHBondContact O-N 2.91Å; K102-D187 IonicContact NZ-OD2 2.67Å |
| 103 | L | 88 | Confident | 86.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.6 | -38.6 | 176.7 | -69.8 | 172.3 | 0 | 0 | 0 | 112.7 | P99 E100 W105 A106 F107 F170 V171 C174 L175 F181 T185 | P99-L103 VanDerWaalsContact O-CG 3.29Å; P99-L103 WeakPolarHBondContact O-CG 3.31Å; P99-L103 PolarHBondContact O-N 3.46Å; E100-L103 CarbonylContact O-C 3.43Å; E100-L103 PolarHBondContact O-N 2.78Å; E100-L103 VanDerWaalsContact O-N 3.11Å; L103-W105 VanDerWaalsContact C-N 3.29Å; L103-W105 PolarHBondContact O-N 3.02Å; L103-A106 PolarHBondContact O-N 3.45Å; L103-F107 WeakPolarHBondContact O-CB 3.39Å; L103-F107 PolarHBondContact O-N 2.87Å; L103-F170 HydrophobicContact CD2-CE1 4.23Å; L103-V171 HydrophobicContact CB-CG2 3.97Å; L103-V171 HydrophobicContact CD1-CG1 4.17Å; L103-C174 HydrophobicContact CD1-CB 3.94Å; L103-C174 HydrophobicContact CD2-CB 3.53Å; L103-C174 HydrophobicContact CG-CB 4.4Å; L103-L175 HydrophobicContact CD1-CD2 3.91Å; L103-L175 HydrophobicContact CD1-CG 3.91Å; L103-F181 HydrophobicContact CD1-CD2 4.15Å; L103-F181 HydrophobicContact CD1-CE2 3.95Å; L103-F181 HydrophobicContact CD2-CD2 3.94Å; L103-F181 HydrophobicContact CD2-CE2 3.97Å; L103-F181 HydrophobicContact CG-CD2 4.31Å; L103-F181 HydrophobicContact CG-CE2 3.94Å; L103-T185 HydrophobicContact CD2-CG2 3.61Å; L103-T185 HydrophobicContact CG-CG2 4.4Å |
| 104 | E | 89.1 | Confident | 86.5 | Confident | 95 Ų | 95 | 49.3 Ų | 49.3 | 44% | 0.444 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61 | -39.2 | 172.3 | -74.2 | 173.6 | -176.4 | 0 | 0 | 111.8 | E100 R108 L167 | E100-E104 WeakPolarHBondContact O-CG 3.5Å; E100-E104 PolarHBondContact O-N 3.45Å; E104-R108 PolarHBondContact O-N 3.48Å; E104-L167 HydrophobicContact CG-CD1 4.16Å; E104-L167 HydrophobicContact CG-CD2 4.29Å |
| 105 | W | 88.6 | Confident | 87.3 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 11% | 0.106 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.1 | -43.3 | 173.6 | 172.3 | 74 | 0 | 0 | 0 | 112.3 | V70 T73 F74 V93 T94 K101 K102 L103 F107 R108 M109 | V70-W105 HydrophobicContact CG1-CZ2 4.2Å; T73-W105 PolarHBondContact OG1-NE1 2.61Å; F74-W105 AromaticContact CD1-NE1 3.76Å; F74-W105 AromaticContact CE1-CE2 3.57Å; F74-W105 AromaticContact CE1-CZ2 3.63Å; F74-W105 HydrophobicContact CE1-CZ2 3.63Å; F74-W105 AromaticContact CE1-NE1 3.21Å; F74-W105 AromaticContact CZ-CE2 3.99Å; F74-W105 HydrophobicContact CZ-CH2 4.47Å; F74-W105 AromaticContact CZ-CZ2 3.54Å; F74-W105 HydrophobicContact CZ-CZ2 3.54Å; V93-W105 HydrophobicContact CG1-CB 3.59Å; V93-W105 HydrophobicContact CG1-CD2 4.36Å; V93-W105 HydrophobicContact CG1-CG 3.79Å; T94-W105 HydrophobicContact CG2-CH2 4.37Å; K101-W105 PolarHBondContact O-N 3.35Å; K101-W105 VanDerWaalsContact O-N 3.09Å; K102-W105 PolarHBondContact O-N 3.07Å; L103-W105 VanDerWaalsContact C-N 3.29Å; L103-W105 PolarHBondContact O-N 3.02Å; W105-F107 VanDerWaalsContact C-N 3.28Å; W105-F107 PolarHBondContact O-N 2.88Å; W105-R108 PolarHBondContact O-N 3.1Å; W105-M109 HydrophobicContact CE3-CE 4.27Å; W105-M109 HydrophobicContact CH2-CE 3.06Å; W105-M109 HydrophobicContact CZ2-CE 3.39Å; W105-M109 HydrophobicContact CZ3-CE 3.54Å; W105-M109 PolarHBondContact O-N 2.98Å |
| 106 | A | 89.5 | Confident | 88 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57 | -45.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | K102 L103 R108 M109 Y110 F170 | K102-A106 WeakPolarHBondContact O-CB 3.36Å; K102-A106 PolarHBondContact O-N 2.91Å; L103-A106 PolarHBondContact O-N 3.45Å; A106-R108 VanDerWaalsContact C-N 3.3Å; A106-R108 PolarHBondContact O-N 3.02Å; A106-M109 WeakPolarHBondContact O-CA 3.34Å; A106-M109 WeakPolarHBondContact O-CB 3.37Å; A106-M109 PolarHBondContact O-N 2.91Å; A106-Y110 VanDerWaalsContact O-CD2 3.29Å; A106-Y110 WeakPolarHBondContact O-CD2 3.48Å; A106-Y110 PolarHBondContact O-N 3.22Å; A106-F170 HydrophobicContact CB-CE1 4.1Å; A106-F170 HydrophobicContact CB-CZ 4.25Å |
| 107 | F | 92.9 | Very high | 89.1 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 5% | 0.048 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -51.3 | -47.4 | 175.9 | -176.6 | -89.8 | 0 | 0 | 0 | 112.3 | L103 W105 M109 Y110 D111 G116 I118 L165 L167 F170 | L103-F107 WeakPolarHBondContact O-CB 3.39Å; L103-F107 PolarHBondContact O-N 2.87Å; W105-F107 VanDerWaalsContact C-N 3.28Å; W105-F107 PolarHBondContact O-N 2.88Å; F107-M109 PolarHBondContact O-N 3.3Å; F107-Y110 CarbonylContact O-C 3.58Å; F107-Y110 PolarHBondContact O-N 3.11Å; F107-D111 HydrophobicContact CD1-CB 4.47Å; F107-D111 HydrophobicContact CE1-CB 4.13Å; F107-D111 WeakPolarHBondContact O-CB 3.44Å; F107-D111 PolarHBondContact O-N 2.97Å; F107-G116 WeakPolarHBondContact CZ-O 3.48Å; F107-I118 HydrophobicContact CD2-CD1 3.35Å; F107-I118 HydrophobicContact CD2-CG1 4.07Å; F107-I118 HydrophobicContact CE2-CD1 3.39Å; F107-I118 HydrophobicContact CE2-CG1 3.67Å; F107-I118 HydrophobicContact CG-CD1 4.18Å; F107-I118 HydrophobicContact CZ-CD1 4.23Å; F107-I118 HydrophobicContact CZ-CG1 4.05Å; F107-L165 WeakPolarHBondContact CE2-O 3.47Å; F107-L167 HydrophobicContact CB-CD1 3.62Å; F107-L167 HydrophobicContact CD1-CB 4.32Å; F107-L167 HydrophobicContact CD1-CD1 4.08Å; F107-L167 HydrophobicContact CD2-CB 4.2Å; F107-L167 HydrophobicContact CD2-CD1 3.98Å; F107-L167 HydrophobicContact CE1-CB 4.26Å; F107-L167 VanDerWaalsContact CE2-CA 3.43Å; F107-L167 HydrophobicContact CE2-CB 4.13Å; F107-L167 VanDerWaalsContact CE2-N 3.31Å; F107-L167 HydrophobicContact CG-CB 4.29Å; F107-L167 HydrophobicContact CG-CD1 3.6Å; F107-L167 HydrophobicContact CZ-CB 4.16Å; F107-F170 HydrophobicContact CB-CD1 4.08Å; F107-F170 HydrophobicContact CB-CE1 4.32Å; F107-F170 HydrophobicContact CD2-CB 3.67Å; F107-F170 HydrophobicContact CD2-CD1 4.09Å; F107-F170 HydrophobicContact CD2-CD2 4.38Å; F107-F170 AromaticContact CD2-CG 3.8Å; F107-F170 HydrophobicContact CD2-CG 3.8Å; F107-F170 HydrophobicContact CE2-CB 4.14Å |
| 108 | R | 91.7 | Very high | 90.3 | Very high | 117 Ų | 117 | 46.8 Ų | 46.8 | 44% | 0.442 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.1 | -23.2 | 175.9 | -68.4 | -172.3 | -68.9 | 154.9 | -1.1 | 114.2 | R72 T73 E104 W105 A106 | R72-R108 PolarHBondContact NH2-O 3.29Å; T73-R108 HydrophobicContact CG2-CB 4.36Å; T73-R108 WeakPolarHBondContact CG2-O 3.16Å; E104-R108 PolarHBondContact O-N 3.48Å; W105-R108 PolarHBondContact O-N 3.1Å; A106-R108 VanDerWaalsContact C-N 3.3Å; A106-R108 PolarHBondContact O-N 3.02Å |
| 109 | M | 91.8 | Very high | 91.1 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -74.6 | -39.6 | 171.9 | -168 | -169.5 | -57.2 | 0 | 0 | 111.1 | F66 H69 V70 R72 T73 W105 A106 F107 I126 | F66-M109 HydrophobicContact CE2-SD 3.72Å; F66-M109 HydrophobicContact CZ-CE 4.33Å; F66-M109 HydrophobicContact CZ-SD 4.02Å; H69-M109 HydrophobicContact CB-CG 3.95Å; V70-M109 HydrophobicContact CG2-CE 3.71Å; V70-M109 HydrophobicContact CG2-SD 4.1Å; R72-M109 PolarHBondContact NH2-O 3.49Å; T73-M109 HydrophobicContact CG2-CB 3.78Å; T73-M109 HydrophobicContact CG2-CG 4.23Å; W105-M109 HydrophobicContact CE3-CE 4.27Å; W105-M109 HydrophobicContact CH2-CE 3.06Å; W105-M109 HydrophobicContact CZ2-CE 3.39Å; W105-M109 HydrophobicContact CZ3-CE 3.54Å; W105-M109 PolarHBondContact O-N 2.98Å; A106-M109 WeakPolarHBondContact O-CA 3.34Å; A106-M109 WeakPolarHBondContact O-CB 3.37Å; A106-M109 PolarHBondContact O-N 2.91Å; F107-M109 PolarHBondContact O-N 3.3Å; M109-I126 WeakPolarHBondContact O-CD1 3.29Å |
| 110 | Y | 93.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74.6 | -38.9 | 178.4 | -78.2 | -96 | 0 | 0 | 0 | 113.1 | A106 F107 I112 I118 E122 M123 I126 I127 I130 F170 L184 | A106-Y110 VanDerWaalsContact O-CD2 3.29Å; A106-Y110 WeakPolarHBondContact O-CD2 3.48Å; A106-Y110 PolarHBondContact O-N 3.22Å; F107-Y110 CarbonylContact O-C 3.58Å; F107-Y110 PolarHBondContact O-N 3.11Å; Y110-I112 PolarHBondContact O-N 3.42Å; Y110-I118 VanDerWaalsContact CB-CD1 3.41Å; Y110-I118 HydrophobicContact CG-CD1 4.37Å; Y110-E122 WeakPolarHBondContact O-CB 3.34Å; Y110-M123 HydrophobicContact CD1-SD 3.72Å; Y110-M123 HydrophobicContact CE1-SD 3.62Å; Y110-I126 HydrophobicContact CD1-CB 3.76Å; Y110-I126 HydrophobicContact CD1-CG1 3.85Å; Y110-I126 HydrophobicContact CD1-CG2 4.02Å; Y110-I126 HydrophobicContact CD2-CG2 4.35Å; Y110-I126 HydrophobicContact CE1-CB 3.54Å; Y110-I126 HydrophobicContact CE1-CG1 4.16Å; Y110-I126 HydrophobicContact CE1-CG2 3.5Å; Y110-I126 VanDerWaalsContact CE1-CG2 3.5Å; Y110-I126 HydrophobicContact CE2-CG2 3.87Å; Y110-I126 HydrophobicContact CG-CB 4.41Å; Y110-I126 HydrophobicContact CG-CG1 4.14Å; Y110-I126 HydrophobicContact CG-CG2 4.4Å; Y110-I127 HydrophobicContact CE1-CD1 4.35Å; Y110-I130 WeakPolarHBondContact OH-CD1 3.45Å; Y110-F170 HydrophobicContact CD2-CE2 4.16Å; Y110-F170 AromaticContact CD2-CZ 3.99Å; Y110-F170 HydrophobicContact CD2-CZ 3.99Å; Y110-F170 HydrophobicContact CE2-CZ 4.3Å; Y110-F170 HydrophobicContact CG-CE2 4.25Å; Y110-L184 HydrophobicContact CE1-CD2 3.78Å; Y110-L184 HydrophobicContact CE2-CB 4.44Å; Y110-L184 HydrophobicContact CE2-CD2 4.04Å; Y110-L184 WeakPolarHBondContact OH-CD2 3.32Å |
| 111 | D | 95.5 | Very high | 92.4 | Very high | 13 Ų | 13 | 50 Ų | 50 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | trans | -71.5 | 97 | 171.9 | 179.6 | 0.8 | 0 | 0 | 0 | 108.5 | R72 F107 G114 N115 G116 I118 | R72-D111 PolarHBondContact NH2-O 3.42Å; F107-D111 HydrophobicContact CD1-CB 4.47Å; F107-D111 HydrophobicContact CE1-CB 4.13Å; F107-D111 WeakPolarHBondContact O-CB 3.44Å; F107-D111 PolarHBondContact O-N 2.97Å; D111-G114 WeakPolarHBondContact OD1-CA 3.47Å; D111-G114 PolarHBondContact OD1-N 2.95Å; D111-G114 WeakPolarHBondContact OD2-CA 3.24Å; D111-N115 PolarHBondContact OD1-N 2.93Å; D111-N115 VanDerWaalsContact OD1-N 3.13Å; D111-N115 PolarHBondContact OD2-N 3.42Å; D111-G116 WeakPolarHBondContact OD2-CA 3.42Å; D111-G116 PolarHBondContact OD2-N 3.13Å; D111-I118 HydrophobicContact CB-CG1 4.2Å | ||
| 112 | I | 94.4 | Very high | 93 | Very high | 32 Ų | 32 | 45.1 Ų | 45.1 | 16% | 0.164 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -80.2 | -39.2 | -170.3 | -71.4 | 176.4 | 0 | 0 | 0 | 111.1 | R72 Y110 E122 R125 I126 | R72-I112 PolarHBondContact NH1-O 2.64Å; Y110-I112 PolarHBondContact O-N 3.42Å; I112-E122 WeakPolarHBondContact CA-OE1 3.33Å; I112-E122 HydrophobicContact CB-CG 4.04Å; I112-E122 WeakPolarHBondContact CB-OE1 3.43Å; I112-E122 HydrophobicContact CD1-CB 4.22Å; I112-E122 HydrophobicContact CD1-CG 4.3Å; I112-E122 HydrophobicContact CG1-CB 4.35Å; I112-E122 HydrophobicContact CG1-CG 4.31Å; I112-E122 PolarHBondContact N-OE1 3.41Å; I112-R125 HydrophobicContact CD1-CB 3.76Å; I112-R125 HydrophobicContact CD1-CG 4.38Å; I112-I126 HydrophobicContact CD1-CD1 4.05Å; I112-I126 HydrophobicContact CD1-CG1 4.46Å; I112-I126 HydrophobicContact CG1-CD1 4.2Å |
| 113 | D | 93.6 | Very high | 93.4 | Very high | 104 Ų | 104 | 43.1 Ų | 43.1 | 56% | 0.556 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -89.2 | -11.8 | -179.6 | 73.8 | 9.3 | 0 | 0 | 0 | 113.7 | N115 E122 | D113-N115 WeakPolarHBondContact OD1-CB 3.36Å; D113-N115 PolarHBondContact OD1-N 3.02Å; D113-N115 PolarHBondContact OD1-ND2 2.89Å; D113-N115 PolarHBondContact OD2-ND2 2.81Å; D113-E122 PolarHBondContact N-OE1 3.09Å |
| 114 | G | 92.8 | Very high | 93.6 | Very high | 58 Ų | 58 | 43.8 Ų | 43.8 | 60% | 0.598 | 23% | 0.234 | S | C | * | . | trans | 77.6 | 22.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D111 G116 | D111-G114 WeakPolarHBondContact OD1-CA 3.47Å; D111-G114 PolarHBondContact OD1-N 2.95Å; D111-G114 WeakPolarHBondContact OD2-CA 3.24Å; G114-G116 PolarHBondContact O-N 2.79Å | ||
| 115 | N | 95.1 | Very high | 93.8 | Very high | 84 Ų | 84 | 45.5 Ų | 45.5 | 45% | 0.449 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -77.5 | -8.2 | -176.5 | 72.7 | 28.4 | 0 | 0 | 0 | 113.6 | D111 D113 T117 | D111-N115 PolarHBondContact OD1-N 2.93Å; D111-N115 VanDerWaalsContact OD1-N 3.13Å; D111-N115 PolarHBondContact OD2-N 3.42Å; D113-N115 WeakPolarHBondContact OD1-CB 3.36Å; D113-N115 PolarHBondContact OD1-N 3.02Å; D113-N115 PolarHBondContact OD1-ND2 2.89Å; D113-N115 PolarHBondContact OD2-ND2 2.81Å; N115-T117 WeakPolarHBondContact OD1-CA 3.28Å; N115-T117 PolarHBondContact OD1-N 3.05Å; N115-T117 PolarHBondContact OD1-O 2.7Å; N115-T117 VanDerWaalsContact OD1-O 3.05Å; N115-T117 PolarHBondContact OD1-OG1 3.48Å |
| 116 | G | 95.6 | Very high | 93.9 | Very high | 42 Ų | 42 | 44.1 Ų | 44.1 | 43% | 0.433 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 94.3 | 4.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F107 D111 G114 | F107-G116 WeakPolarHBondContact CZ-O 3.48Å; D111-G116 WeakPolarHBondContact OD2-CA 3.42Å; D111-G116 PolarHBondContact OD2-N 3.13Å; G114-G116 PolarHBondContact O-N 2.79Å |
| 117 | T | 97.2 | Very high | 93.9 | Very high | 22 Ų | 22 | 44.1 Ų | 44.1 | 14% | 0.135 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 160.2 | 175.5 | 61.9 | 0 | 0 | 0 | 0 | 109.8 | N115 E164 L165 | N115-T117 WeakPolarHBondContact OD1-CA 3.28Å; N115-T117 PolarHBondContact OD1-N 3.05Å; N115-T117 PolarHBondContact OD1-O 2.7Å; N115-T117 VanDerWaalsContact OD1-O 3.05Å; N115-T117 PolarHBondContact OD1-OG1 3.48Å; T117-E164 HydrophobicContact CG2-CB 4.15Å; T117-L165 CarbonylContact C-O 3.51Å; T117-L165 WeakPolarHBondContact CA-O 3.28Å |
| 118 | I | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.9 | 173.3 | -57 | 157.7 | 0 | 0 | 0 | 108.1 | F107 Y110 D111 E122 M123 F154 L165 F170 | F107-I118 HydrophobicContact CD2-CD1 3.35Å; F107-I118 HydrophobicContact CD2-CG1 4.07Å; F107-I118 HydrophobicContact CE2-CD1 3.39Å; F107-I118 HydrophobicContact CE2-CG1 3.67Å; F107-I118 HydrophobicContact CG-CD1 4.18Å; F107-I118 HydrophobicContact CZ-CD1 4.23Å; F107-I118 HydrophobicContact CZ-CG1 4.05Å; Y110-I118 VanDerWaalsContact CB-CD1 3.41Å; Y110-I118 HydrophobicContact CG-CD1 4.37Å; D111-I118 HydrophobicContact CB-CG1 4.2Å; I118-E122 WeakPolarHBondContact CA-OE2 3.24Å; I118-E122 HydrophobicContact CG2-CB 4.04Å; I118-M123 HydrophobicContact CG2-CB 4.38Å; I118-M123 HydrophobicContact CG2-CE 4.49Å; I118-F154 VanDerWaalsContact O-CE2 3.27Å; I118-F154 WeakPolarHBondContact O-CE2 3.5Å; I118-L165 HydrophobicContact CB-CB 4.17Å; I118-L165 PolarHBondContact N-O 3.22Å; I118-L165 PolarHBondContact O-N 2.76Å; I118-F170 HydrophobicContact CD1-CD2 3.62Å; I118-F170 HydrophobicContact CD1-CE2 4Å; I118-F170 HydrophobicContact CD1-CG 4.21Å |
| 119 | D | 96.5 | Very high | 93.6 | Very high | 50 Ų | 50 | 41.2 Ų | 41.2 | 27% | 0.267 | 22% | 0.223 | S | C | . | . | trans | -90.3 | 166.4 | 171.9 | 85.1 | 24.2 | 0 | 0 | 0 | 112.8 | K121 E122 M123 | D119-K121 PolarHBondContact O-N 2.93Å; D119-K121 VanDerWaalsContact OD1-CA 3.29Å; D119-K121 WeakPolarHBondContact OD1-CA 3.44Å; D119-K121 VanDerWaalsContact OD1-CB 3.24Å; D119-K121 WeakPolarHBondContact OD1-CB 3.45Å; D119-K121 PolarHBondContact OD1-N 2.8Å; D119-E122 PolarHBondContact N-OE2 3.23Å; D119-E122 PolarHBondContact O-N 3.06Å; D119-E122 WeakPolarHBondContact OD1-CG 3.13Å; D119-E122 PolarHBondContact OD1-N 2.81Å; D119-M123 PolarHBondContact O-N 3.24Å | ||
| 120 | E | 94.7 | Very high | 93.2 | Very high | 86 Ų | 86 | 41.3 Ų | 41.3 | 40% | 0.402 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.5 | -35.2 | -179.5 | -173.1 | -175.8 | 163.6 | 0 | 0 | 112.2 | M123 V124 F154 | E120-M123 PolarHBondContact O-N 3.42Å; E120-V124 WeakPolarHBondContact O-CG2 3.29Å; E120-V124 PolarHBondContact O-N 2.99Å; E120-F154 HydrophobicContact CB-CD2 4.23Å; E120-F154 HydrophobicContact CB-CE2 4.34Å; E120-F154 HydrophobicContact CB-CG 4.39Å; E120-F154 VanDerWaalsContact N-CE2 3.3Å |
| 121 | K | 95.6 | Very high | 92.7 | Very high | 149 Ų | 149 | 42.3 Ų | 42.3 | 65% | 0.648 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -71.8 | -37.7 | -178.9 | -59.3 | 172 | -177 | 162.6 | 0 | 110.9 | D119 V124 R125 | D119-K121 PolarHBondContact O-N 2.93Å; D119-K121 VanDerWaalsContact OD1-CA 3.29Å; D119-K121 WeakPolarHBondContact OD1-CA 3.44Å; D119-K121 VanDerWaalsContact OD1-CB 3.24Å; D119-K121 WeakPolarHBondContact OD1-CB 3.45Å; D119-K121 PolarHBondContact OD1-N 2.8Å; K121-V124 PolarHBondContact O-N 3.42Å; K121-R125 VanDerWaalsContact O-CG 3.31Å; K121-R125 WeakPolarHBondContact O-CG 3.39Å; K121-R125 PolarHBondContact O-N 3.03Å |
| 122 | E | 96.2 | Very high | 92.2 | Very high | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.028 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.8 | -45.3 | 175.3 | -67.2 | -177.1 | 127.6 | 0 | 0 | 111.1 | Y110 I112 D113 I118 D119 V124 R125 I126 | Y110-E122 WeakPolarHBondContact O-CB 3.34Å; I112-E122 WeakPolarHBondContact CA-OE1 3.33Å; I112-E122 HydrophobicContact CB-CG 4.04Å; I112-E122 WeakPolarHBondContact CB-OE1 3.43Å; I112-E122 HydrophobicContact CD1-CB 4.22Å; I112-E122 HydrophobicContact CD1-CG 4.3Å; I112-E122 HydrophobicContact CG1-CB 4.35Å; I112-E122 HydrophobicContact CG1-CG 4.31Å; I112-E122 PolarHBondContact N-OE1 3.41Å; D113-E122 PolarHBondContact N-OE1 3.09Å; I118-E122 WeakPolarHBondContact CA-OE2 3.24Å; I118-E122 HydrophobicContact CG2-CB 4.04Å; D119-E122 PolarHBondContact N-OE2 3.23Å; D119-E122 PolarHBondContact O-N 3.06Å; D119-E122 WeakPolarHBondContact OD1-CG 3.13Å; D119-E122 PolarHBondContact OD1-N 2.81Å; E122-V124 PolarHBondContact O-N 3.5Å; E122-R125 PolarHBondContact O-N 3.23Å; E122-I126 PolarHBondContact O-N 3.02Å; E122-I126 VanDerWaalsContact O-N 3.17Å |
| 123 | M | 92.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55 | -49.8 | 172 | -175.8 | 72.6 | 72.4 | 0 | 0 | 111.4 | Y110 I118 D119 E120 R125 I126 I127 A150 I153 F154 L165 | Y110-M123 HydrophobicContact CD1-SD 3.72Å; Y110-M123 HydrophobicContact CE1-SD 3.62Å; I118-M123 HydrophobicContact CG2-CB 4.38Å; I118-M123 HydrophobicContact CG2-CE 4.49Å; D119-M123 PolarHBondContact O-N 3.24Å; E120-M123 PolarHBondContact O-N 3.42Å; M123-R125 VanDerWaalsContact C-N 3.35Å; M123-R125 PolarHBondContact O-N 2.83Å; M123-I126 PolarHBondContact O-N 3.2Å; M123-I127 HydrophobicContact CG-CG1 4.43Å; M123-I127 VanDerWaalsContact O-CG1 3.25Å; M123-I127 WeakPolarHBondContact O-CG1 3.25Å; M123-I127 PolarHBondContact O-N 3.32Å; M123-I127 HydrophobicContact SD-CG1 4.42Å; M123-A150 HydrophobicContact CB-CB 4.49Å; M123-A150 HydrophobicContact CG-CB 3.83Å; M123-I153 HydrophobicContact CE-CG2 4.08Å; M123-I153 HydrophobicContact SD-CG2 4.16Å; M123-F154 HydrophobicContact CB-CD2 4.17Å; M123-F154 HydrophobicContact CE-CD2 4.29Å; M123-L165 HydrophobicContact CE-CD1 3.46Å; M123-L165 VanDerWaalsContact CE-CD1 3.46Å |
| 124 | V | 92.6 | Very high | 90.9 | Very high | 14 Ų | 14 | 41.4 Ų | 41.4 | 9% | 0.085 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.7 | -47.9 | 178.3 | 171 | 0 | 0 | 0 | 0 | 111.2 | E120 K121 E122 I126 I127 E128 A150 | E120-V124 WeakPolarHBondContact O-CG2 3.29Å; E120-V124 PolarHBondContact O-N 2.99Å; K121-V124 PolarHBondContact O-N 3.42Å; E122-V124 PolarHBondContact O-N 3.5Å; V124-I126 PolarHBondContact O-N 3.17Å; V124-I127 PolarHBondContact O-N 3.03Å; V124-E128 HydrophobicContact CG1-CG 4.11Å; V124-E128 WeakPolarHBondContact O-CB 3.04Å; V124-E128 WeakPolarHBondContact O-CG 3.43Å; V124-E128 PolarHBondContact O-N 3.41Å; V124-A150 HydrophobicContact CB-CB 4.15Å; V124-A150 HydrophobicContact CG2-CB 3.53Å |
| 125 | R | 93.1 | Very high | 90.2 | Very high | 131 Ų | 131 | 39 Ų | 39 | 49% | 0.494 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.1 | -43.9 | -177.8 | -76.1 | 172.5 | -179.6 | 174.2 | 2.6 | 113 | I112 K121 E122 M123 A129 | I112-R125 HydrophobicContact CD1-CB 3.76Å; I112-R125 HydrophobicContact CD1-CG 4.38Å; K121-R125 VanDerWaalsContact O-CG 3.31Å; K121-R125 WeakPolarHBondContact O-CG 3.39Å; K121-R125 PolarHBondContact O-N 3.03Å; E122-R125 PolarHBondContact O-N 3.23Å; M123-R125 VanDerWaalsContact C-N 3.35Å; M123-R125 PolarHBondContact O-N 2.83Å; R125-A129 WeakPolarHBondContact O-CB 3.42Å; R125-A129 PolarHBondContact O-N 3.4Å |
| 126 | I | 91.3 | Very high | 89 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.1 | -42.5 | 178.6 | -57.7 | -51.9 | 0 | 0 | 0 | 111.1 | H69 M109 Y110 I112 E122 M123 V124 E128 A129 I130 | H69-I126 HydrophobicContact CB-CD1 3.8Å; H69-I126 WeakPolarHBondContact CD2-CD1 3.47Å; H69-I126 WeakPolarHBondContact ND1-CD1 3.22Å; M109-I126 WeakPolarHBondContact O-CD1 3.29Å; Y110-I126 HydrophobicContact CD1-CB 3.76Å; Y110-I126 HydrophobicContact CD1-CG1 3.85Å; Y110-I126 HydrophobicContact CD1-CG2 4.02Å; Y110-I126 HydrophobicContact CD2-CG2 4.35Å; Y110-I126 HydrophobicContact CE1-CB 3.54Å; Y110-I126 HydrophobicContact CE1-CG1 4.16Å; Y110-I126 HydrophobicContact CE1-CG2 3.5Å; Y110-I126 VanDerWaalsContact CE1-CG2 3.5Å; Y110-I126 HydrophobicContact CE2-CG2 3.87Å; Y110-I126 HydrophobicContact CG-CB 4.41Å; Y110-I126 HydrophobicContact CG-CG1 4.14Å; Y110-I126 HydrophobicContact CG-CG2 4.4Å; I112-I126 HydrophobicContact CD1-CD1 4.05Å; I112-I126 HydrophobicContact CD1-CG1 4.46Å; I112-I126 HydrophobicContact CG1-CD1 4.2Å; E122-I126 PolarHBondContact O-N 3.02Å; E122-I126 VanDerWaalsContact O-N 3.17Å; M123-I126 PolarHBondContact O-N 3.2Å; V124-I126 PolarHBondContact O-N 3.17Å; I126-E128 VanDerWaalsContact C-N 3.33Å; I126-E128 PolarHBondContact O-N 3.24Å; I126-A129 PolarHBondContact O-N 3.44Å; I126-I130 HydrophobicContact CG2-CD1 3.96Å; I126-I130 HydrophobicContact CG2-CG1 4.46Å; I126-I130 WeakPolarHBondContact O-CG1 3.44Å; I126-I130 PolarHBondContact O-N 3.18Å |
| 127 | I | 88.1 | Confident | 87.7 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.3 | -40.9 | 178.2 | -63.9 | -63.8 | 0 | 0 | 0 | 110.9 | Y110 M123 V124 I130 Y131 P146 R149 A150 I153 I183 L184 | Y110-I127 HydrophobicContact CE1-CD1 4.35Å; M123-I127 HydrophobicContact CG-CG1 4.43Å; M123-I127 VanDerWaalsContact O-CG1 3.25Å; M123-I127 WeakPolarHBondContact O-CG1 3.25Å; M123-I127 PolarHBondContact O-N 3.32Å; M123-I127 HydrophobicContact SD-CG1 4.42Å; V124-I127 PolarHBondContact O-N 3.03Å; I127-I130 HydrophobicContact CD1-CD1 4.49Å; I127-I130 PolarHBondContact O-N 3.15Å; I127-Y131 HydrophobicContact CG2-CD2 3.95Å; I127-Y131 HydrophobicContact CG2-CE2 3.71Å; I127-Y131 WeakPolarHBondContact O-CD2 3.15Å; I127-Y131 PolarHBondContact O-N 3.24Å; I127-P146 HydrophobicContact CG2-CB 4.12Å; I127-R149 HydrophobicContact CG2-CB 4.47Å; I127-A150 HydrophobicContact CB-CB 4.22Å; I127-A150 HydrophobicContact CG1-CB 4.06Å; I127-I153 HydrophobicContact CD1-CD1 4.17Å; I127-I183 HydrophobicContact CD1-CG2 4.34Å; I127-L184 HydrophobicContact CD1-CD2 4.13Å |
| 128 | E | 88.9 | Confident | 86.4 | Confident | 64 Ų | 64 | 42.3 Ų | 42.3 | 30% | 0.299 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.3 | -48.1 | 172.4 | -74.9 | -176.1 | 137.1 | 0 | 0 | 111.9 | V124 I126 I130 Y131 D132 P146 H147 | V124-E128 HydrophobicContact CG1-CG 4.11Å; V124-E128 WeakPolarHBondContact O-CB 3.04Å; V124-E128 WeakPolarHBondContact O-CG 3.43Å; V124-E128 PolarHBondContact O-N 3.41Å; I126-E128 VanDerWaalsContact C-N 3.33Å; I126-E128 PolarHBondContact O-N 3.24Å; E128-I130 VanDerWaalsContact C-N 3.26Å; E128-I130 PolarHBondContact O-N 2.78Å; E128-Y131 PolarHBondContact O-N 3.26Å; E128-Y131 VanDerWaalsContact O-N 3.1Å; E128-D132 PolarHBondContact O-N 3.39Å; E128-P146 HydrophobicContact CB-CB 4.49Å; E128-P146 HydrophobicContact CG-CB 3.63Å; E128-P146 HydrophobicContact CG-CG 4.33Å; E128-H147 IonicContact OE1-CE1 3.77Å; E128-H147 PolarHBondContact OE1-CE1 3.09Å; E128-H147 IonicContact OE1-ND1 2.66Å; E128-H147 PolarHBondContact OE1-ND1 2.86Å; E128-H147 IonicContact OE1-NE2 3Å |
| 129 | A | 89.1 | Confident | 84.6 | Confident | 3 Ų | 3 | 45 Ų | 45 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.8 | -36.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A65 F66 R125 I126 M133 | A65-A129 HydrophobicContact CB-CB 3.85Å; F66-A129 HydrophobicContact CB-CB 4.23Å; R125-A129 WeakPolarHBondContact O-CB 3.42Å; R125-A129 PolarHBondContact O-N 3.4Å; I126-A129 PolarHBondContact O-N 3.44Å; A129-M133 WeakPolarHBondContact O-CB 3.39Å; A129-M133 PolarHBondContact O-N 2.76Å |
| 130 | I | 84.2 | Confident | 82.9 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 4% | 0.041 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.3 | -45.2 | 174.4 | -69.3 | 166.6 | 0 | 0 | 0 | 110.8 | F66 Y110 I126 I127 E128 D132 M133 L134 | F66-I130 HydrophobicContact CD2-CG1 3.71Å; F66-I130 HydrophobicContact CE2-CD1 4.29Å; F66-I130 HydrophobicContact CE2-CG1 3.7Å; Y110-I130 WeakPolarHBondContact OH-CD1 3.45Å; I126-I130 HydrophobicContact CG2-CD1 3.96Å; I126-I130 HydrophobicContact CG2-CG1 4.46Å; I126-I130 WeakPolarHBondContact O-CG1 3.44Å; I126-I130 PolarHBondContact O-N 3.18Å; I127-I130 HydrophobicContact CD1-CD1 4.49Å; I127-I130 PolarHBondContact O-N 3.15Å; E128-I130 VanDerWaalsContact C-N 3.26Å; E128-I130 PolarHBondContact O-N 2.78Å; I130-D132 VanDerWaalsContact C-N 3.33Å; I130-D132 PolarHBondContact O-N 3.29Å; I130-M133 PolarHBondContact O-N 3.32Å; I130-L134 HydrophobicContact CG2-CD1 3.69Å; I130-L134 HydrophobicContact CG2-CG 4.26Å; I130-L134 WeakPolarHBondContact O-CB 3.43Å; I130-L134 VanDerWaalsContact O-CG 3.28Å; I130-L134 WeakPolarHBondContact O-CG 3.5Å; I130-L134 PolarHBondContact O-N 2.83Å |
| 131 | Y | 83 | Confident | 81.5 | Confident | 21 Ų | 21 | 50.8 Ų | 50.8 | 8% | 0.082 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 178.5 | -85.9 | -126.2 | 0 | 0 | 0 | 111.2 | I127 E128 M133 L134 G135 A139 T142 P146 | I127-Y131 HydrophobicContact CG2-CD2 3.95Å; I127-Y131 HydrophobicContact CG2-CE2 3.71Å; I127-Y131 WeakPolarHBondContact O-CD2 3.15Å; I127-Y131 PolarHBondContact O-N 3.24Å; E128-Y131 PolarHBondContact O-N 3.26Å; E128-Y131 VanDerWaalsContact O-N 3.1Å; Y131-M133 PolarHBondContact O-N 2.94Å; Y131-L134 PolarHBondContact O-N 3.38Å; Y131-G135 PolarHBondContact O-N 3.06Å; Y131-A139 HydrophobicContact CD1-CB 4.39Å; Y131-T142 HydrophobicContact CE1-CG2 4.43Å; Y131-T142 WeakPolarHBondContact CE1-OG1 3.42Å; Y131-P146 HydrophobicContact CD1-CB 4.43Å; Y131-P146 HydrophobicContact CD1-CG 3.6Å; Y131-P146 HydrophobicContact CE1-CG 4.06Å; Y131-P146 HydrophobicContact CG-CB 4.37Å; Y131-P146 HydrophobicContact CG-CG 3.84Å |
| 132 | D | 84.6 | Confident | 80.2 | Confident | 91 Ų | 91 | 45.4 Ų | 45.4 | 49% | 0.487 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.8 | -42.6 | 175.3 | -76 | -13.2 | 0 | 0 | 0 | 111.7 | G61 S62 E128 I130 G135 | G61-D132 WeakPolarHBondContact CA-O 3.34Å; S62-D132 PolarHBondContact N-O 3Å; E128-D132 PolarHBondContact O-N 3.39Å; I130-D132 VanDerWaalsContact C-N 3.33Å; I130-D132 PolarHBondContact O-N 3.29Å; D132-G135 PolarHBondContact O-N 3.3Å |
| 133 | M | 82.8 | Confident | 78.9 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 177.6 | -177.2 | -169.1 | 71.8 | 0 | 0 | 112.6 | Y54 F58 G61 S62 A63 F66 A129 I130 Y131 G135 | Y54-M133 HydrophobicContact CD1-SD 4.49Å; F58-M133 HydrophobicContact CB-CG 4.27Å; F58-M133 HydrophobicContact CD1-CE 4.39Å; F58-M133 HydrophobicContact CD1-CG 4.33Å; F58-M133 HydrophobicContact CD2-CG 4.3Å; F58-M133 HydrophobicContact CD2-SD 4.07Å; F58-M133 HydrophobicContact CE1-CE 4.02Å; F58-M133 HydrophobicContact CE2-CE 4.38Å; F58-M133 HydrophobicContact CE2-SD 4.05Å; F58-M133 HydrophobicContact CG-CG 4.05Å; F58-M133 HydrophobicContact CG-SD 4.32Å; F58-M133 HydrophobicContact CZ-CE 4.01Å; F58-M133 HydrophobicContact CZ-SD 4.29Å; G61-M133 WeakPolarHBondContact CA-O 3.27Å; S62-M133 PolarHBondContact O-N 3.06Å; A63-M133 HydrophobicContact CB-CG 3.93Å; F66-M133 HydrophobicContact CB-CB 4.21Å; F66-M133 HydrophobicContact CB-SD 4.11Å; F66-M133 HydrophobicContact CD1-CE 4.29Å; F66-M133 HydrophobicContact CD1-SD 3.32Å; F66-M133 WeakPolarHBondContact CD1-SD 3.46Å; F66-M133 HydrophobicContact CE1-CE 4.43Å; F66-M133 HydrophobicContact CE1-SD 3.9Å; F66-M133 HydrophobicContact CG-SD 3.8Å; A129-M133 WeakPolarHBondContact O-CB 3.39Å; A129-M133 PolarHBondContact O-N 2.76Å; I130-M133 PolarHBondContact O-N 3.32Å; Y131-M133 PolarHBondContact O-N 2.94Å; M133-G135 PolarHBondContact O-N 3.34Å |
| 134 | L | 79.1 | Confident | 78.1 | Confident | 38 Ų | 38 | 56.1 Ų | 56.1 | 20% | 0.199 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -74.2 | -20.4 | 179.7 | -65.6 | 173.4 | 0 | 0 | 0 | 112.2 | F58 I130 Y131 V138 M188 | F58-L134 HydrophobicContact CE1-CD2 4.31Å; I130-L134 HydrophobicContact CG2-CD1 3.69Å; I130-L134 HydrophobicContact CG2-CG 4.26Å; I130-L134 WeakPolarHBondContact O-CB 3.43Å; I130-L134 VanDerWaalsContact O-CG 3.28Å; I130-L134 WeakPolarHBondContact O-CG 3.5Å; I130-L134 PolarHBondContact O-N 2.83Å; Y131-L134 PolarHBondContact O-N 3.38Å; L134-V138 HydrophobicContact CB-CB 3.99Å; L134-V138 HydrophobicContact CB-CG1 4.5Å; L134-V138 HydrophobicContact CB-CG2 3.62Å; L134-V138 HydrophobicContact CD1-CB 4.42Å; L134-V138 HydrophobicContact CD1-CG1 4.09Å; L134-V138 HydrophobicContact CD1-CG2 4.04Å; L134-V138 HydrophobicContact CG-CG2 4.37Å; L134-M188 HydrophobicContact CD2-CE 4.11Å; L134-M188 HydrophobicContact CD2-SD 3.95Å |
| 135 | G | 76.7 | Confident | 77.7 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 7% | 0.072 | 31% | 0.308 | C | S | . | . | trans | 81.4 | -177.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y131 D132 M133 D137 V138 | Y131-G135 PolarHBondContact O-N 3.06Å; D132-G135 PolarHBondContact O-N 3.3Å; M133-G135 PolarHBondContact O-N 3.34Å; G135-D137 PolarHBondContact O-N 3.16Å; G135-D137 VanDerWaalsContact O-N 3.11Å; G135-V138 PolarHBondContact O-N 3.02Å | ||
| 136 | P | 70.3 | Confident | 77.1 | Confident | 70 Ų | 70 | 53.6 Ų | 53.6 | 46% | 0.455 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -71.3 | -14 | -163.1 | 29.4 | -37.5 | 0 | 0 | 0 | 114.3 | V138 R140 | P136-V138 VanDerWaalsContact C-N 3.35Å; P136-R140 WeakPolarHBondContact O-CB 3.4Å; P136-R140 VanDerWaalsContact O-CG 3.28Å; P136-R140 WeakPolarHBondContact O-CG 3.39Å; P136-R140 PolarHBondContact O-N 3.03Å; P136-R140 VanDerWaalsContact O-N 3.09Å; P136-R140 PolarHBondContact O-NE 2.87Å |
| 137 | D | 69.3 | Low | 77 | Confident | 109 Ų | 109 | 58.4 Ų | 58.4 | 58% | 0.583 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67.6 | -35.2 | 175 | -76.1 | -44.2 | 0 | 0 | 0 | 112.4 | G135 R140 S141 | G135-D137 PolarHBondContact O-N 3.16Å; G135-D137 VanDerWaalsContact O-N 3.11Å; D137-R140 PolarHBondContact O-N 3.04Å; D137-R140 IonicContact OD1-CZ 2.86Å; D137-R140 IonicContact OD1-NE 2.91Å; D137-R140 IonicContact OD1-NH2 2.79Å; D137-R140 PolarHBondContact OD1-NH2 2.94Å; D137-R140 IonicContact OD2-NH2 3.72Å; D137-S141 PolarHBondContact O-N 2.8Å; D137-S141 VanDerWaalsContact O-N 3.11Å |
| 138 | V | 68 | Low | 77 | Confident | 39 Ų | 39 | 65.6 Ų | 65.6 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -74.1 | -43 | 176 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | L134 G135 P136 R140 S141 T142 | L134-V138 HydrophobicContact CB-CB 3.99Å; L134-V138 HydrophobicContact CB-CG1 4.5Å; L134-V138 HydrophobicContact CB-CG2 3.62Å; L134-V138 HydrophobicContact CD1-CB 4.42Å; L134-V138 HydrophobicContact CD1-CG1 4.09Å; L134-V138 HydrophobicContact CD1-CG2 4.04Å; L134-V138 HydrophobicContact CG-CG2 4.37Å; G135-V138 PolarHBondContact O-N 3.02Å; P136-V138 VanDerWaalsContact C-N 3.35Å; V138-R140 PolarHBondContact O-N 3.11Å; V138-R140 VanDerWaalsContact O-N 3.11Å; V138-S141 PolarHBondContact O-N 2.85Å; V138-S141 PolarHBondContact O-OG 3Å; V138-T142 HydrophobicContact CG1-CG2 4.5Å; V138-T142 PolarHBondContact O-N 3.11Å; V138-T142 VanDerWaalsContact O-N 3.16Å; V138-T142 PolarHBondContact O-OG1 3.42Å |
| 139 | A | 59.9 | Low | 76.8 | Confident | 56 Ų | 56 | 64.7 Ų | 64.7 | 46% | 0.463 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.1 | -24.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y131 | Y131-A139 HydrophobicContact CD1-CB 4.39Å |
| 140 | R | 60.8 | Low | 76.8 | Confident | 168 Ų | 168 | 64.6 Ų | 64.6 | 63% | 0.634 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -85.3 | -26.9 | 174.3 | -78.7 | -173.1 | -70.5 | -98.7 | 6.4 | 114 | P136 D137 V138 | P136-R140 WeakPolarHBondContact O-CB 3.4Å; P136-R140 VanDerWaalsContact O-CG 3.28Å; P136-R140 WeakPolarHBondContact O-CG 3.39Å; P136-R140 PolarHBondContact O-N 3.03Å; P136-R140 VanDerWaalsContact O-N 3.09Å; P136-R140 PolarHBondContact O-NE 2.87Å; D137-R140 PolarHBondContact O-N 3.04Å; D137-R140 IonicContact OD1-CZ 2.86Å; D137-R140 IonicContact OD1-NE 2.91Å; D137-R140 IonicContact OD1-NH2 2.79Å; D137-R140 PolarHBondContact OD1-NH2 2.94Å; D137-R140 IonicContact OD2-NH2 3.72Å; V138-R140 PolarHBondContact O-N 3.11Å; V138-R140 VanDerWaalsContact O-N 3.11Å |
| 141 | S | 65.9 | Low | 77.1 | Confident | 91 Ų | 91 | 68.6 Ų | 68.6 | 64% | 0.636 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -85 | -20.2 | -177.8 | 68.4 | 0 | 0 | 0 | 0 | 112.7 | D137 V138 | D137-S141 PolarHBondContact O-N 2.8Å; D137-S141 VanDerWaalsContact O-N 3.11Å; V138-S141 PolarHBondContact O-N 2.85Å; V138-S141 PolarHBondContact O-OG 3Å |
| 142 | T | 66.8 | Low | 77.4 | Confident | 36 Ų | 36 | 70.8 Ų | 70.8 | 22% | 0.221 | 37% | 0.365 | C | S | . | . | trans | -96.5 | 124.6 | 174.1 | 64 | 0 | 0 | 0 | 0 | 110.1 | Y131 V138 D144 | Y131-T142 HydrophobicContact CE1-CG2 4.43Å; Y131-T142 WeakPolarHBondContact CE1-OG1 3.42Å; V138-T142 HydrophobicContact CG1-CG2 4.5Å; V138-T142 PolarHBondContact O-N 3.11Å; V138-T142 VanDerWaalsContact O-N 3.16Å; V138-T142 PolarHBondContact O-OG1 3.42Å; T142-D144 PolarHBondContact O-N 3.36Å; T142-D144 PolarHBondContact OG1-O 3.09Å | ||
| 143 | E | 69.4 | Low | 77.5 | Confident | 201 Ų | 201 | 66.7 Ų | 66.7 | 94% | 0.939 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -66 | -21 | 171.5 | -67.5 | -173.9 | 175.5 | 0 | 0 | 112.1 | ||
| 144 | D | 75.8 | Confident | 78 | Confident | 30 Ų | 30 | 67 Ų | 67 | 16% | 0.16 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -91.4 | 137.3 | -178.3 | -61.9 | -51.4 | 0 | 0 | 0 | 112 | T142 R148 M152 | T142-D144 PolarHBondContact O-N 3.36Å; T142-D144 PolarHBondContact OG1-O 3.09Å; D144-R148 HydrophobicContact CB-CB 4.28Å; D144-R148 HydrophobicContact CB-CG 4.28Å; D144-R148 WeakPolarHBondContact OD1-CD 3.4Å; D144-R148 IonicContact OD1-CZ 3.49Å; D144-R148 VanDerWaalsContact OD1-CZ 3.31Å; D144-R148 IonicContact OD1-NE 2.64Å; D144-R148 PolarHBondContact OD1-NE 3.25Å; D144-R148 IonicContact OD1-NH1 3.96Å; D144-R148 IonicContact OD1-NH2 3.56Å; D144-M152 HydrophobicContact CB-CE 4.26Å; D144-M152 WeakPolarHBondContact OD2-CE 3.11Å |
| 145 | S | 83.7 | Confident | 78.6 | Confident | 61 Ų | 61 | 70.9 Ų | 70.9 | 43% | 0.427 | 36% | 0.361 | S | S | . | . | trans | -64.1 | 155.4 | 165.9 | 64.5 | 0 | 0 | 0 | 0 | 111 | H147 R148 R149 | S145-H147 PolarHBondContact O-N 3.21Å; S145-H147 VanDerWaalsContact O-N 3.15Å; S145-R148 PolarHBondContact O-N 3.46Å; S145-R148 WeakPolarHBondContact OG-CB 3.31Å; S145-R148 PolarHBondContact OG-N 3.38Å; S145-R149 PolarHBondContact O-N 3.11Å | ||
| 146 | P | 82.1 | Confident | 79.2 | Confident | 30 Ų | 30 | 76.7 Ų | 76.7 | 20% | 0.195 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -48.8 | -42.8 | 173.3 | -26.4 | 30.7 | 0 | 0 | 0 | 112.7 | I127 E128 Y131 R149 A150 | I127-P146 HydrophobicContact CG2-CB 4.12Å; E128-P146 HydrophobicContact CB-CB 4.49Å; E128-P146 HydrophobicContact CG-CB 3.63Å; E128-P146 HydrophobicContact CG-CG 4.33Å; Y131-P146 HydrophobicContact CD1-CB 4.43Å; Y131-P146 HydrophobicContact CD1-CG 3.6Å; Y131-P146 HydrophobicContact CE1-CG 4.06Å; Y131-P146 HydrophobicContact CG-CB 4.37Å; Y131-P146 HydrophobicContact CG-CG 3.84Å; P146-R149 PolarHBondContact O-N 3.35Å; P146-A150 VanDerWaalsContact O-CB 3.31Å; P146-A150 WeakPolarHBondContact O-CB 3.28Å; P146-A150 PolarHBondContact O-N 2.83Å |
| 147 | H | 88.2 | Confident | 80.2 | Confident | 102 Ų | 102 | 73.6 Ų | 73.6 | 47% | 0.472 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60 | -49.6 | 177.2 | -73.9 | 79.2 | 0 | 0 | 0 | 112.5 | E128 S145 R149 A150 K151 | E128-H147 IonicContact OE1-CE1 3.77Å; E128-H147 PolarHBondContact OE1-CE1 3.09Å; E128-H147 IonicContact OE1-ND1 2.66Å; E128-H147 PolarHBondContact OE1-ND1 2.86Å; E128-H147 IonicContact OE1-NE2 3Å; S145-H147 PolarHBondContact O-N 3.21Å; S145-H147 VanDerWaalsContact O-N 3.15Å; H147-R149 VanDerWaalsContact C-N 3.3Å; H147-R149 PolarHBondContact O-N 3.02Å; H147-A150 PolarHBondContact O-N 3.47Å; H147-K151 WeakPolarHBondContact O-CB 3.39Å; H147-K151 PolarHBondContact O-N 2.98Å |
| 148 | R | 88.1 | Confident | 81.4 | Confident | 151 Ų | 151 | 69.5 Ų | 69.5 | 57% | 0.57 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.5 | -39.8 | 178.7 | -179 | 170.7 | 174.5 | 179.8 | -3.3 | 110.7 | D144 S145 M152 | D144-R148 HydrophobicContact CB-CB 4.28Å; D144-R148 HydrophobicContact CB-CG 4.28Å; D144-R148 WeakPolarHBondContact OD1-CD 3.4Å; D144-R148 IonicContact OD1-CZ 3.49Å; D144-R148 VanDerWaalsContact OD1-CZ 3.31Å; D144-R148 IonicContact OD1-NE 2.64Å; D144-R148 PolarHBondContact OD1-NE 3.25Å; D144-R148 IonicContact OD1-NH1 3.96Å; D144-R148 IonicContact OD1-NH2 3.56Å; S145-R148 PolarHBondContact O-N 3.46Å; S145-R148 WeakPolarHBondContact OG-CB 3.31Å; S145-R148 PolarHBondContact OG-N 3.38Å; R148-M152 HydrophobicContact CG-CE 4.29Å; R148-M152 HydrophobicContact CG-SD 4.32Å; R148-M152 VanDerWaalsContact O-CG 3.27Å; R148-M152 WeakPolarHBondContact O-CG 3.22Å; R148-M152 PolarHBondContact O-N 2.8Å |
| 149 | R | 85 | Confident | 82.5 | Confident | 46 Ų | 46 | 72.4 Ų | 72.4 | 17% | 0.174 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.4 | -52.3 | 177 | -164.5 | 72.7 | 178.3 | -177.2 | -1.5 | 111 | I127 S145 P146 H147 K151 M152 I153 E179 | I127-R149 HydrophobicContact CG2-CB 4.47Å; S145-R149 PolarHBondContact O-N 3.11Å; P146-R149 PolarHBondContact O-N 3.35Å; H147-R149 VanDerWaalsContact C-N 3.3Å; H147-R149 PolarHBondContact O-N 3.02Å; R149-K151 VanDerWaalsContact C-N 3.33Å; R149-K151 PolarHBondContact O-N 2.92Å; R149-M152 PolarHBondContact O-N 3.47Å; R149-I153 HydrophobicContact CG-CD1 4.08Å; R149-I153 VanDerWaalsContact O-CG1 3.22Å; R149-I153 WeakPolarHBondContact O-CG1 3.16Å; R149-I153 PolarHBondContact O-N 2.86Å; R149-E179 IonicContact CZ-OE1 3.67Å; R149-E179 IonicContact NH2-OE1 2.57Å; R149-E179 PolarHBondContact NH2-OE1 3.22Å |
| 150 | A | 89 | Confident | 84.1 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -54.7 | -47.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M123 V124 I127 P146 H147 M152 I153 F154 | M123-A150 HydrophobicContact CB-CB 4.49Å; M123-A150 HydrophobicContact CG-CB 3.83Å; V124-A150 HydrophobicContact CB-CB 4.15Å; V124-A150 HydrophobicContact CG2-CB 3.53Å; I127-A150 HydrophobicContact CB-CB 4.22Å; I127-A150 HydrophobicContact CG1-CB 4.06Å; P146-A150 VanDerWaalsContact O-CB 3.31Å; P146-A150 WeakPolarHBondContact O-CB 3.28Å; P146-A150 PolarHBondContact O-N 2.83Å; H147-A150 PolarHBondContact O-N 3.47Å; A150-M152 PolarHBondContact O-N 2.97Å; A150-I153 PolarHBondContact O-N 3.23Å; A150-F154 WeakPolarHBondContact O-CB 3.48Å; A150-F154 PolarHBondContact O-N 3.32Å |
| 151 | K | 91 | Very high | 85.7 | Confident | 92 Ų | 92 | 69.1 Ų | 69.1 | 40% | 0.4 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60 | -46 | 177.7 | -178.7 | 170.5 | 178.1 | 168.9 | 0 | 113.1 | H147 R149 I153 F154 E155 | H147-K151 WeakPolarHBondContact O-CB 3.39Å; H147-K151 PolarHBondContact O-N 2.98Å; R149-K151 VanDerWaalsContact C-N 3.33Å; R149-K151 PolarHBondContact O-N 2.92Å; K151-I153 VanDerWaalsContact C-N 3.32Å; K151-I153 PolarHBondContact O-N 2.87Å; K151-F154 WeakPolarHBondContact O-CB 3.24Å; K151-F154 PolarHBondContact O-N 3.16Å; K151-E155 WeakPolarHBondContact CE-OE1 3.38Å; K151-E155 HydrophobicContact CG-CG 4.38Å; K151-E155 IonicContact NZ-OE1 3.26Å; K151-E155 WeakPolarHBondContact O-CB 3.31Å; K151-E155 WeakPolarHBondContact O-CG 3.45Å; K151-E155 PolarHBondContact O-N 2.6Å |
| 152 | M | 87.7 | Confident | 87.1 | Confident | 68 Ų | 68 | 68.5 Ų | 68.5 | 34% | 0.335 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 177.6 | -71 | -174.7 | -51.2 | 0 | 0 | 112.6 | D144 R148 R149 A150 K156 | D144-M152 HydrophobicContact CB-CE 4.26Å; D144-M152 WeakPolarHBondContact OD2-CE 3.11Å; R148-M152 HydrophobicContact CG-CE 4.29Å; R148-M152 HydrophobicContact CG-SD 4.32Å; R148-M152 VanDerWaalsContact O-CG 3.27Å; R148-M152 WeakPolarHBondContact O-CG 3.22Å; R148-M152 PolarHBondContact O-N 2.8Å; R149-M152 PolarHBondContact O-N 3.47Å; A150-M152 PolarHBondContact O-N 2.97Å; M152-K156 WeakPolarHBondContact O-CB 3.29Å; M152-K156 PolarHBondContact O-N 2.89Å |
| 153 | I | 88 | Confident | 88.5 | Confident | 4 Ų | 4 | 74.2 Ų | 74.2 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.4 | -47.8 | 174.9 | -65.2 | 174.1 | 0 | 0 | 0 | 109.4 | M123 I127 R149 A150 K151 K156 M157 L180 | M123-I153 HydrophobicContact CE-CG2 4.08Å; M123-I153 HydrophobicContact SD-CG2 4.16Å; I127-I153 HydrophobicContact CD1-CD1 4.17Å; R149-I153 HydrophobicContact CG-CD1 4.08Å; R149-I153 VanDerWaalsContact O-CG1 3.22Å; R149-I153 WeakPolarHBondContact O-CG1 3.16Å; R149-I153 PolarHBondContact O-N 2.86Å; A150-I153 PolarHBondContact O-N 3.23Å; K151-I153 VanDerWaalsContact C-N 3.32Å; K151-I153 PolarHBondContact O-N 2.87Å; I153-K156 PolarHBondContact O-N 3.28Å; I153-M157 HydrophobicContact CG2-CE 3.99Å; I153-M157 HydrophobicContact CG2-CG 4.49Å; I153-M157 HydrophobicContact CG2-SD 4.05Å; I153-M157 WeakPolarHBondContact O-CG 3.37Å; I153-M157 PolarHBondContact O-N 3.16Å; I153-M157 VanDerWaalsContact O-N 3.09Å; I153-L180 HydrophobicContact CB-CD2 4.24Å; I153-L180 HydrophobicContact CD1-CD2 3.97Å; I153-L180 HydrophobicContact CG1-CD2 3.54Å; I153-L180 HydrophobicContact CG2-CD2 3.96Å |
| 154 | F | 92.3 | Very high | 89.7 | Confident | 7 Ų | 7 | 69.2 Ų | 69.2 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58 | -55.3 | -179.4 | -164.6 | -78.2 | 0 | 0 | 0 | 111.6 | I118 E120 M123 A150 K151 K156 M157 D158 K163 L165 | I118-F154 VanDerWaalsContact O-CE2 3.27Å; I118-F154 WeakPolarHBondContact O-CE2 3.5Å; E120-F154 HydrophobicContact CB-CD2 4.23Å; E120-F154 HydrophobicContact CB-CE2 4.34Å; E120-F154 HydrophobicContact CB-CG 4.39Å; E120-F154 VanDerWaalsContact N-CE2 3.3Å; M123-F154 HydrophobicContact CB-CD2 4.17Å; M123-F154 HydrophobicContact CE-CD2 4.29Å; A150-F154 WeakPolarHBondContact O-CB 3.48Å; A150-F154 PolarHBondContact O-N 3.32Å; K151-F154 WeakPolarHBondContact O-CB 3.24Å; K151-F154 PolarHBondContact O-N 3.16Å; F154-K156 PolarHBondContact O-N 2.96Å; F154-K156 VanDerWaalsContact O-N 3.07Å; F154-M157 PolarHBondContact O-N 3.33Å; F154-D158 HydrophobicContact CD1-CB 4.09Å; F154-D158 HydrophobicContact CE1-CB 3.89Å; F154-D158 VanDerWaalsContact O-CB 3.29Å; F154-D158 WeakPolarHBondContact O-CB 3.45Å; F154-D158 PolarHBondContact O-N 3.28Å; F154-K163 WeakPolarHBondContact CZ-O 3.32Å; F154-L165 HydrophobicContact CD2-CD1 3.78Å; F154-L165 HydrophobicContact CD2-CG 4.03Å; F154-L165 HydrophobicContact CE1-CG 4.44Å; F154-L165 HydrophobicContact CE2-CD1 3.87Å; F154-L165 HydrophobicContact CE2-CG 3.65Å; F154-L165 HydrophobicContact CG-CD1 4.38Å; F154-L165 HydrophobicContact CZ-CD2 4.43Å; F154-L165 HydrophobicContact CZ-CG 3.86Å |
| 155 | E | 91.9 | Very high | 90.7 | Very high | 120 Ų | 120 | 67.8 Ų | 67.8 | 56% | 0.561 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -59.5 | -23.6 | 179.3 | -71.7 | 176.6 | 169.2 | 0 | 0 | 113.3 | K151 | K151-E155 WeakPolarHBondContact CE-OE1 3.38Å; K151-E155 HydrophobicContact CG-CG 4.38Å; K151-E155 IonicContact NZ-OE1 3.26Å; K151-E155 WeakPolarHBondContact O-CB 3.31Å; K151-E155 WeakPolarHBondContact O-CG 3.45Å; K151-E155 PolarHBondContact O-N 2.6Å |
| 156 | K | 89.3 | Confident | 91.3 | Very high | 130 Ų | 130 | 67.2 Ų | 67.2 | 57% | 0.565 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -83.4 | -31.3 | 177.5 | -178.3 | 169 | 177.6 | 174 | 0 | 112.8 | M152 I153 F154 D177 L180 | M152-K156 WeakPolarHBondContact O-CB 3.29Å; M152-K156 PolarHBondContact O-N 2.89Å; I153-K156 PolarHBondContact O-N 3.28Å; F154-K156 PolarHBondContact O-N 2.96Å; F154-K156 VanDerWaalsContact O-N 3.07Å; K156-D177 WeakPolarHBondContact CE-OD2 3.32Å; K156-D177 IonicContact NZ-OD2 3.31Å; K156-D177 PolarHBondContact NZ-OD2 3.02Å; K156-L180 HydrophobicContact CD-CD1 4.17Å |
| 157 | M | 91.4 | Very high | 92 | Very high | 5 Ų | 5 | 68.9 Ų | 68.9 | 3% | 0.025 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -87.8 | -34.4 | -179.6 | -67.7 | -172.2 | 169.3 | 0 | 0 | 112.4 | I153 F154 S159 L165 F170 C174 L180 L184 | I153-M157 HydrophobicContact CG2-CE 3.99Å; I153-M157 HydrophobicContact CG2-CG 4.49Å; I153-M157 HydrophobicContact CG2-SD 4.05Å; I153-M157 WeakPolarHBondContact O-CG 3.37Å; I153-M157 PolarHBondContact O-N 3.16Å; I153-M157 VanDerWaalsContact O-N 3.09Å; F154-M157 PolarHBondContact O-N 3.33Å; M157-S159 PolarHBondContact O-N 3.29Å; M157-L165 HydrophobicContact CB-CD1 3.94Å; M157-L165 HydrophobicContact CB-CD2 3.56Å; M157-L165 HydrophobicContact CB-CG 4.42Å; M157-L165 HydrophobicContact SD-CD1 4.15Å; M157-F170 HydrophobicContact SD-CD2 4.05Å; M157-C174 VanDerWaalsContact CE-SG 3.58Å; M157-L180 HydrophobicContact CE-CB 4.06Å; M157-L180 HydrophobicContact CE-CD1 3.67Å; M157-L180 HydrophobicContact CE-CG 4.37Å; M157-L184 HydrophobicContact CE-CD1 3.36Å; M157-L184 HydrophobicContact SD-CD1 4.46Å |
| 158 | D | 94.7 | Very high | 92.3 | Very high | 23 Ų | 23 | 70.7 Ų | 70.7 | 12% | 0.123 | 35% | 0.35 | C | S | . | . | trans | -70.8 | 90.3 | -179.3 | -178.9 | 5.9 | 0 | 0 | 0 | 109.2 | F154 G161 D162 K163 L165 | F154-D158 HydrophobicContact CD1-CB 4.09Å; F154-D158 HydrophobicContact CE1-CB 3.89Å; F154-D158 VanDerWaalsContact O-CB 3.29Å; F154-D158 WeakPolarHBondContact O-CB 3.45Å; F154-D158 PolarHBondContact O-N 3.28Å; D158-G161 WeakPolarHBondContact OD1-CA 3.22Å; D158-G161 PolarHBondContact OD1-N 3.13Å; D158-G161 WeakPolarHBondContact OD2-CA 3.39Å; D158-D162 PolarHBondContact OD1-N 3.47Å; D158-K163 WeakPolarHBondContact OD2-CA 3.48Å; D158-K163 PolarHBondContact OD2-N 3.03Å; D158-K163 VanDerWaalsContact OD2-N 3.13Å; D158-L165 VanDerWaalsContact CA-CD2 3.43Å; D158-L165 HydrophobicContact CB-CD2 3.66Å | ||
| 159 | S | 91.2 | Very high | 92.6 | Very high | 99 Ų | 99 | 64 Ų | 64 | 69% | 0.692 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -84.9 | -26.1 | -165.1 | 67.5 | 0 | 0 | 0 | 0 | 112.5 | M157 E169 | M157-S159 PolarHBondContact O-N 3.29Å; S159-E169 PolarHBondContact N-OE1 2.78Å; S159-E169 VanDerWaalsContact N-OE1 3.09Å; S159-E169 PolarHBondContact OG-OE1 3.49Å |
| 160 | D | 94.2 | Very high | 93 | Very high | 107 Ų | 107 | 61.8 Ų | 61.8 | 57% | 0.572 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -101.3 | -11.9 | 176.4 | 68.4 | 16.8 | 0 | 0 | 0 | 113.5 | D162 | D160-D162 WeakPolarHBondContact OD1-CB 3.4Å; D160-D162 PolarHBondContact OD1-N 3.25Å |
| 161 | G | 93.5 | Very high | 93.1 | Very high | 48 Ų | 48 | 62.8 Ų | 62.8 | 50% | 0.495 | 32% | 0.323 | S | S | . | . | trans | 77.3 | 21 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D158 K163 | D158-G161 WeakPolarHBondContact OD1-CA 3.22Å; D158-G161 PolarHBondContact OD1-N 3.13Å; D158-G161 WeakPolarHBondContact OD2-CA 3.39Å; G161-K163 PolarHBondContact O-N 3.31Å | ||
| 162 | D | 96.1 | Very high | 93 | Very high | 78 Ų | 78 | 62.1 Ų | 62.1 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -77.1 | -9.9 | 179.7 | 79 | -3.9 | 0 | 0 | 0 | 113.4 | D158 D160 E164 | D158-D162 PolarHBondContact OD1-N 3.47Å; D160-D162 WeakPolarHBondContact OD1-CB 3.4Å; D160-D162 PolarHBondContact OD1-N 3.25Å; D162-E164 WeakPolarHBondContact OD1-CA 2.86Å; D162-E164 PolarHBondContact OD1-N 2.91Å |
| 163 | K | 95 | Very high | 93.1 | Very high | 156 Ų | 156 | 59.6 Ų | 59.6 | 68% | 0.678 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 73.1 | 21.4 | -178.6 | -49.7 | 176.6 | -179.9 | 177.4 | 0 | 114.8 | F154 D158 G161 | F154-K163 WeakPolarHBondContact CZ-O 3.32Å; D158-K163 WeakPolarHBondContact OD2-CA 3.48Å; D158-K163 PolarHBondContact OD2-N 3.03Å; D158-K163 VanDerWaalsContact OD2-N 3.13Å; G161-K163 PolarHBondContact O-N 3.31Å |
| 164 | E | 96.5 | Very high | 93 | Very high | 96 Ų | 96 | 59.4 Ų | 59.4 | 45% | 0.449 | 31% | 0.314 | S | S | . | . | trans | -133.6 | 113.3 | 176 | -67.3 | -172.6 | 166.1 | 0 | 0 | 109.3 | T117 D162 T166 | T117-E164 HydrophobicContact CG2-CB 4.15Å; D162-E164 WeakPolarHBondContact OD1-CA 2.86Å; D162-E164 PolarHBondContact OD1-N 2.91Å; E164-T166 PolarHBondContact O-N 2.94Å | ||
| 165 | L | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 115.3 | 176.5 | -61.3 | 177.2 | 0 | 0 | 0 | 110.4 | F107 T117 I118 M123 F154 M157 D158 E169 | F107-L165 WeakPolarHBondContact CE2-O 3.47Å; T117-L165 CarbonylContact C-O 3.51Å; T117-L165 WeakPolarHBondContact CA-O 3.28Å; I118-L165 HydrophobicContact CB-CB 4.17Å; I118-L165 PolarHBondContact N-O 3.22Å; I118-L165 PolarHBondContact O-N 2.76Å; M123-L165 HydrophobicContact CE-CD1 3.46Å; M123-L165 VanDerWaalsContact CE-CD1 3.46Å; F154-L165 HydrophobicContact CD2-CD1 3.78Å; F154-L165 HydrophobicContact CD2-CG 4.03Å; F154-L165 HydrophobicContact CE1-CG 4.44Å; F154-L165 HydrophobicContact CE2-CD1 3.87Å; F154-L165 HydrophobicContact CE2-CG 3.65Å; F154-L165 HydrophobicContact CG-CD1 4.38Å; F154-L165 HydrophobicContact CZ-CD2 4.43Å; F154-L165 HydrophobicContact CZ-CG 3.86Å; M157-L165 HydrophobicContact CB-CD1 3.94Å; M157-L165 HydrophobicContact CB-CD2 3.56Å; M157-L165 HydrophobicContact CB-CG 4.42Å; M157-L165 HydrophobicContact SD-CD1 4.15Å; D158-L165 VanDerWaalsContact CA-CD2 3.43Å; D158-L165 HydrophobicContact CB-CD2 3.66Å; L165-E169 HydrophobicContact CD2-CB 4.49Å |
| 166 | T | 96.7 | Very high | 92.2 | Very high | 49 Ų | 49 | 62 Ų | 62 | 30% | 0.301 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 159.8 | 169 | 63.5 | 0 | 0 | 0 | 0 | 111.4 | E164 K168 E169 F170 | E164-T166 PolarHBondContact O-N 2.94Å; T166-K168 PolarHBondContact O-N 3.11Å; T166-K168 VanDerWaalsContact O-N 3.15Å; T166-E169 PolarHBondContact N-OE2 2.85Å; T166-E169 PolarHBondContact O-N 3.15Å; T166-E169 VanDerWaalsContact O-N 3.11Å; T166-E169 WeakPolarHBondContact OG1-CG 3.42Å; T166-E169 PolarHBondContact OG1-N 2.92Å; T166-E169 PolarHBondContact OG1-OE2 3.37Å; T166-F170 PolarHBondContact O-N 2.97Å |
| 167 | L | 95.1 | Very high | 91.6 | Very high | 66 Ų | 66 | 57.1 Ų | 57.1 | 35% | 0.346 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -52.5 | -38.5 | 173.3 | 173 | 63.3 | 0 | 0 | 0 | 112 | E104 F107 V171 | E104-L167 HydrophobicContact CG-CD1 4.16Å; E104-L167 HydrophobicContact CG-CD2 4.29Å; F107-L167 HydrophobicContact CB-CD1 3.62Å; F107-L167 HydrophobicContact CD1-CB 4.32Å; F107-L167 HydrophobicContact CD1-CD1 4.08Å; F107-L167 HydrophobicContact CD2-CB 4.2Å; F107-L167 HydrophobicContact CD2-CD1 3.98Å; F107-L167 HydrophobicContact CE1-CB 4.26Å; F107-L167 VanDerWaalsContact CE2-CA 3.43Å; F107-L167 HydrophobicContact CE2-CB 4.13Å; F107-L167 VanDerWaalsContact CE2-N 3.31Å; F107-L167 HydrophobicContact CG-CB 4.29Å; F107-L167 HydrophobicContact CG-CD1 3.6Å; F107-L167 HydrophobicContact CZ-CB 4.16Å; L167-V171 HydrophobicContact CD1-CG2 3.86Å; L167-V171 HydrophobicContact CG-CG2 4.39Å; L167-V171 WeakPolarHBondContact O-CB 3.32Å; L167-V171 WeakPolarHBondContact O-CG2 3.29Å; L167-V171 PolarHBondContact O-N 2.87Å |
| 168 | K | 94.3 | Very high | 90.9 | Very high | 139 Ų | 139 | 64.3 Ų | 64.3 | 60% | 0.604 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.9 | -48.6 | 179.5 | -176.5 | -173.8 | 169.6 | -60.7 | 0 | 110.9 | T166 V171 D172 | T166-K168 PolarHBondContact O-N 3.11Å; T166-K168 VanDerWaalsContact O-N 3.15Å; K168-V171 PolarHBondContact O-N 3.45Å; K168-D172 IonicContact NZ-OD2 3.8Å; K168-D172 PolarHBondContact NZ-OD2 3.02Å; K168-D172 VanDerWaalsContact O-CB 3.29Å; K168-D172 WeakPolarHBondContact O-CB 3.35Å; K168-D172 VanDerWaalsContact O-CG 3.23Å; K168-D172 PolarHBondContact O-N 3.3Å |
| 169 | E | 95.1 | Very high | 89.8 | Confident | 10 Ų | 10 | 68.1 Ų | 68.1 | 5% | 0.047 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 179.4 | -72.2 | 172.5 | 122.2 | 0 | 0 | 112.5 | S159 L165 T166 D172 G173 | S159-E169 PolarHBondContact N-OE1 2.78Å; S159-E169 VanDerWaalsContact N-OE1 3.09Å; S159-E169 PolarHBondContact OG-OE1 3.49Å; L165-E169 HydrophobicContact CD2-CB 4.49Å; T166-E169 PolarHBondContact N-OE2 2.85Å; T166-E169 PolarHBondContact O-N 3.15Å; T166-E169 VanDerWaalsContact O-N 3.11Å; T166-E169 WeakPolarHBondContact OG1-CG 3.42Å; T166-E169 PolarHBondContact OG1-N 2.92Å; T166-E169 PolarHBondContact OG1-OE2 3.37Å; E169-D172 PolarHBondContact O-N 3.07Å; E169-G173 WeakPolarHBondContact O-CA 3.27Å; E169-G173 PolarHBondContact O-N 2.8Å |
| 170 | F | 93.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60 | -48 | 174.9 | -175.5 | -92.7 | 0 | 0 | 0 | 111.6 | L103 A106 F107 Y110 I118 M157 T166 C174 L184 | L103-F170 HydrophobicContact CD2-CE1 4.23Å; A106-F170 HydrophobicContact CB-CE1 4.1Å; A106-F170 HydrophobicContact CB-CZ 4.25Å; F107-F170 HydrophobicContact CB-CD1 4.08Å; F107-F170 HydrophobicContact CB-CE1 4.32Å; F107-F170 HydrophobicContact CD2-CB 3.67Å; F107-F170 HydrophobicContact CD2-CD1 4.09Å; F107-F170 HydrophobicContact CD2-CD2 4.38Å; F107-F170 AromaticContact CD2-CG 3.8Å; F107-F170 HydrophobicContact CD2-CG 3.8Å; F107-F170 HydrophobicContact CE2-CB 4.14Å; Y110-F170 HydrophobicContact CD2-CE2 4.16Å; Y110-F170 AromaticContact CD2-CZ 3.99Å; Y110-F170 HydrophobicContact CD2-CZ 3.99Å; Y110-F170 HydrophobicContact CE2-CZ 4.3Å; Y110-F170 HydrophobicContact CG-CE2 4.25Å; I118-F170 HydrophobicContact CD1-CD2 3.62Å; I118-F170 HydrophobicContact CD1-CE2 4Å; I118-F170 HydrophobicContact CD1-CG 4.21Å; M157-F170 HydrophobicContact SD-CD2 4.05Å; T166-F170 PolarHBondContact O-N 2.97Å; F170-C174 VanDerWaalsContact O-CB 3.32Å; F170-C174 WeakPolarHBondContact O-CB 3.4Å; F170-C174 PolarHBondContact O-N 2.94Å; F170-C174 PolarHBondContact O-SG 3.12Å; F170-L184 HydrophobicContact CE2-CD1 4Å; F170-L184 HydrophobicContact CZ-CB 4.33Å; F170-L184 HydrophobicContact CZ-CD1 4.06Å |
| 171 | V | 91.1 | Very high | 87.9 | Confident | 21 Ų | 21 | 60.5 Ų | 60.5 | 13% | 0.127 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.9 | -49.7 | 178.5 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | L103 L167 K168 G173 C174 L175 | L103-V171 HydrophobicContact CB-CG2 3.97Å; L103-V171 HydrophobicContact CD1-CG1 4.17Å; L167-V171 HydrophobicContact CD1-CG2 3.86Å; L167-V171 HydrophobicContact CG-CG2 4.39Å; L167-V171 WeakPolarHBondContact O-CB 3.32Å; L167-V171 WeakPolarHBondContact O-CG2 3.29Å; L167-V171 PolarHBondContact O-N 2.87Å; K168-V171 PolarHBondContact O-N 3.45Å; V171-G173 VanDerWaalsContact C-N 3.33Å; V171-G173 PolarHBondContact O-N 3.01Å; V171-C174 PolarHBondContact O-N 3.49Å; V171-L175 HydrophobicContact CG1-CD1 3.71Å; V171-L175 HydrophobicContact CG1-CG 4.3Å; V171-L175 WeakPolarHBondContact O-CB 3.11Å; V171-L175 VanDerWaalsContact O-CG 3.26Å; V171-L175 WeakPolarHBondContact O-CG 3.47Å; V171-L175 PolarHBondContact O-N 2.89Å |
| 172 | D | 90.4 | Very high | 87 | Confident | 79 Ų | 79 | 62.6 Ų | 62.6 | 42% | 0.422 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | -179.8 | -73.6 | -16.5 | 0 | 0 | 0 | 111 | K168 E169 L175 A176 | K168-D172 IonicContact NZ-OD2 3.8Å; K168-D172 PolarHBondContact NZ-OD2 3.02Å; K168-D172 VanDerWaalsContact O-CB 3.29Å; K168-D172 WeakPolarHBondContact O-CB 3.35Å; K168-D172 VanDerWaalsContact O-CG 3.23Å; K168-D172 PolarHBondContact O-N 3.3Å; E169-D172 PolarHBondContact O-N 3.07Å; D172-L175 PolarHBondContact O-N 3.37Å; D172-A176 VanDerWaalsContact O-CB 3.24Å; D172-A176 WeakPolarHBondContact O-CB 3.21Å; D172-A176 PolarHBondContact O-N 3.41Å |
| 173 | G | 88.1 | Confident | 85.7 | Confident | 14 Ų | 14 | 61 Ų | 61 | 14% | 0.144 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | E169 V171 A176 D177 | E169-G173 WeakPolarHBondContact O-CA 3.27Å; E169-G173 PolarHBondContact O-N 2.8Å; V171-G173 VanDerWaalsContact C-N 3.33Å; V171-G173 PolarHBondContact O-N 3.01Å; G173-A176 PolarHBondContact O-N 3.28Å; G173-D177 PolarHBondContact O-N 3.2Å |
| 174 | C | 87.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 174.5 | -72.4 | 0 | 0 | 0 | 0 | 112.1 | L103 M157 F170 V171 A176 D177 F181 L184 | L103-C174 HydrophobicContact CD1-CB 3.94Å; L103-C174 HydrophobicContact CD2-CB 3.53Å; L103-C174 HydrophobicContact CG-CB 4.4Å; M157-C174 VanDerWaalsContact CE-SG 3.58Å; F170-C174 VanDerWaalsContact O-CB 3.32Å; F170-C174 WeakPolarHBondContact O-CB 3.4Å; F170-C174 PolarHBondContact O-N 2.94Å; F170-C174 PolarHBondContact O-SG 3.12Å; V171-C174 PolarHBondContact O-N 3.49Å; C174-A176 VanDerWaalsContact C-N 3.35Å; C174-D177 CarbonylContact O-C 3.59Å; C174-D177 PolarHBondContact O-N 3.19Å; C174-F181 HydrophobicContact CB-CD2 4.4Å; C174-F181 WeakPolarHBondContact O-CB 3.26Å; C174-L184 WeakPolarHBondContact SG-CD1 3.5Å |
| 175 | L | 84.1 | Confident | 83 | Confident | 91 Ų | 91 | 50.2 Ų | 50.2 | 48% | 0.476 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -72.4 | -30.6 | -178.9 | -69.5 | 176.6 | 0 | 0 | 0 | 112.3 | L103 V171 D172 D177 | L103-L175 HydrophobicContact CD1-CD2 3.91Å; L103-L175 HydrophobicContact CD1-CG 3.91Å; V171-L175 HydrophobicContact CG1-CD1 3.71Å; V171-L175 HydrophobicContact CG1-CG 4.3Å; V171-L175 WeakPolarHBondContact O-CB 3.11Å; V171-L175 VanDerWaalsContact O-CG 3.26Å; V171-L175 WeakPolarHBondContact O-CG 3.47Å; V171-L175 PolarHBondContact O-N 2.89Å; D172-L175 PolarHBondContact O-N 3.37Å; L175-D177 VanDerWaalsContact C-N 3.34Å |
| 176 | A | 82.1 | Confident | 81.3 | Confident | 91 Ų | 91 | 52.2 Ų | 52.2 | 75% | 0.752 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -74.1 | -23.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D172 G173 C174 | D172-A176 VanDerWaalsContact O-CB 3.24Å; D172-A176 WeakPolarHBondContact O-CB 3.21Å; D172-A176 PolarHBondContact O-N 3.41Å; G173-A176 PolarHBondContact O-N 3.28Å; C174-A176 VanDerWaalsContact C-N 3.35Å |
| 177 | D | 77.3 | Confident | 79.4 | Confident | 27 Ų | 27 | 53.1 Ų | 53.1 | 14% | 0.144 | 28% | 0.278 | C | S | . | . | trans | -129 | 107.4 | -178.5 | -170.3 | -29.9 | 0 | 0 | 0 | 112.3 | K156 G173 C174 L175 E179 L180 F181 | K156-D177 WeakPolarHBondContact CE-OD2 3.32Å; K156-D177 IonicContact NZ-OD2 3.31Å; K156-D177 PolarHBondContact NZ-OD2 3.02Å; G173-D177 PolarHBondContact O-N 3.2Å; C174-D177 CarbonylContact O-C 3.59Å; C174-D177 PolarHBondContact O-N 3.19Å; L175-D177 VanDerWaalsContact C-N 3.34Å; D177-E179 VanDerWaalsContact C-N 3.26Å; D177-E179 PolarHBondContact O-N 3.33Å; D177-E179 WeakPolarHBondContact OD1-CA 3.48Å; D177-E179 VanDerWaalsContact OD1-CB 3.29Å; D177-E179 WeakPolarHBondContact OD1-CB 3.29Å; D177-E179 PolarHBondContact OD1-N 3Å; D177-L180 HydrophobicContact CB-CB 3.96Å; D177-L180 HydrophobicContact CB-CD1 3.65Å; D177-L180 HydrophobicContact CB-CG 3.68Å; D177-L180 WeakPolarHBondContact O-CB 3.49Å; D177-L180 PolarHBondContact O-N 3.14Å; D177-L180 VanDerWaalsContact O-N 3.14Å; D177-L180 PolarHBondContact OD1-N 2.81Å; D177-F181 PolarHBondContact O-N 2.66Å | ||
| 178 | K | 76.9 | Confident | 76.6 | Confident | 157 Ų | 157 | 55.6 Ų | 55.6 | 68% | 0.683 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.8 | -33.2 | 179.8 | -171.4 | -179.7 | 178.3 | -174.3 | 0 | 113.3 | Q182 | K178-Q182 WeakPolarHBondContact O-CB 3.44Å; K178-Q182 VanDerWaalsContact O-CG 3.27Å; K178-Q182 WeakPolarHBondContact O-CG 3.27Å; K178-Q182 PolarHBondContact O-N 3.06Å |
| 179 | E | 72.5 | Confident | 73.8 | Confident | 103 Ų | 103 | 57.4 Ų | 57.4 | 48% | 0.481 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.9 | -43.6 | 177.7 | -166.6 | -178.5 | 166.9 | 0 | 0 | 109.8 | R149 D177 Q182 I183 | R149-E179 IonicContact CZ-OE1 3.67Å; R149-E179 IonicContact NH2-OE1 2.57Å; R149-E179 PolarHBondContact NH2-OE1 3.22Å; D177-E179 VanDerWaalsContact C-N 3.26Å; D177-E179 PolarHBondContact O-N 3.33Å; D177-E179 WeakPolarHBondContact OD1-CA 3.48Å; D177-E179 VanDerWaalsContact OD1-CB 3.29Å; D177-E179 WeakPolarHBondContact OD1-CB 3.29Å; D177-E179 PolarHBondContact OD1-N 3Å; E179-Q182 PolarHBondContact O-N 2.88Å; E179-I183 HydrophobicContact CG-CD1 3.98Å; E179-I183 WeakPolarHBondContact O-CB 3.35Å; E179-I183 VanDerWaalsContact O-CG1 3.24Å; E179-I183 WeakPolarHBondContact O-CG1 3.17Å; E179-I183 PolarHBondContact O-N 3.31Å |
| 180 | L | 69.4 | Low | 70.6 | Confident | 8 Ų | 8 | 70.1 Ų | 70.1 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 173.3 | -60.8 | -178.3 | 0 | 0 | 0 | 111.3 | I153 K156 M157 D177 Q182 I183 L184 | I153-L180 HydrophobicContact CB-CD2 4.24Å; I153-L180 HydrophobicContact CD1-CD2 3.97Å; I153-L180 HydrophobicContact CG1-CD2 3.54Å; I153-L180 HydrophobicContact CG2-CD2 3.96Å; K156-L180 HydrophobicContact CD-CD1 4.17Å; M157-L180 HydrophobicContact CE-CB 4.06Å; M157-L180 HydrophobicContact CE-CD1 3.67Å; M157-L180 HydrophobicContact CE-CG 4.37Å; D177-L180 HydrophobicContact CB-CB 3.96Å; D177-L180 HydrophobicContact CB-CD1 3.65Å; D177-L180 HydrophobicContact CB-CG 3.68Å; D177-L180 WeakPolarHBondContact O-CB 3.49Å; D177-L180 PolarHBondContact O-N 3.14Å; D177-L180 VanDerWaalsContact O-N 3.14Å; D177-L180 PolarHBondContact OD1-N 2.81Å; L180-Q182 VanDerWaalsContact C-N 3.29Å; L180-Q182 PolarHBondContact O-N 3.28Å; L180-I183 PolarHBondContact O-N 2.84Å; L180-L184 HydrophobicContact CB-CD1 4.23Å; L180-L184 VanDerWaalsContact O-CB 3.28Å; L180-L184 WeakPolarHBondContact O-CB 3.29Å; L180-L184 WeakPolarHBondContact O-CG 3.38Å; L180-L184 PolarHBondContact O-N 2.95Å |
| 181 | F | 75.5 | Confident | 69.5 | Low | 38 Ų | 38 | 73.6 Ų | 73.6 | 17% | 0.167 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -54 | -48.3 | 175.6 | -174.4 | -89.9 | 0 | 0 | 0 | 111.4 | P99 L103 C174 D177 T185 | P99-F181 HydrophobicContact CB-CE2 4.22Å; P99-F181 HydrophobicContact CB-CZ 4.25Å; L103-F181 HydrophobicContact CD1-CD2 4.15Å; L103-F181 HydrophobicContact CD1-CE2 3.95Å; L103-F181 HydrophobicContact CD2-CD2 3.94Å; L103-F181 HydrophobicContact CD2-CE2 3.97Å; L103-F181 HydrophobicContact CG-CD2 4.31Å; L103-F181 HydrophobicContact CG-CE2 3.94Å; C174-F181 HydrophobicContact CB-CD2 4.4Å; C174-F181 WeakPolarHBondContact O-CB 3.26Å; D177-F181 PolarHBondContact O-N 2.66Å; F181-T185 HydrophobicContact CD1-CG2 4.35Å; F181-T185 HydrophobicContact CD2-CG2 4.05Å; F181-T185 HydrophobicContact CE1-CG2 4.12Å; F181-T185 HydrophobicContact CE2-CG2 3.81Å; F181-T185 HydrophobicContact CG-CG2 4.31Å; F181-T185 HydrophobicContact CZ-CG2 3.84Å; F181-T185 VanDerWaalsContact O-CB 3.31Å; F181-T185 WeakPolarHBondContact O-CB 3.46Å; F181-T185 WeakPolarHBondContact O-CG2 3.24Å; F181-T185 PolarHBondContact O-N 3.09Å; F181-T185 PolarHBondContact O-OG1 2.8Å |
| 182 | Q | 73.8 | Confident | 68.4 | Low | 91 Ų | 91 | 76.4 Ų | 76.4 | 43% | 0.425 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65 | -43.2 | -178.8 | -75.3 | 178.9 | -34.1 | 0 | 0 | 112.6 | K178 E179 L180 N186 | K178-Q182 WeakPolarHBondContact O-CB 3.44Å; K178-Q182 VanDerWaalsContact O-CG 3.27Å; K178-Q182 WeakPolarHBondContact O-CG 3.27Å; K178-Q182 PolarHBondContact O-N 3.06Å; E179-Q182 PolarHBondContact O-N 2.88Å; L180-Q182 VanDerWaalsContact C-N 3.29Å; L180-Q182 PolarHBondContact O-N 3.28Å; Q182-N186 PolarHBondContact O-N 2.67Å |
| 183 | I | 68.4 | Low | 67.1 | Low | 44 Ų | 44 | 76.2 Ų | 76.2 | 23% | 0.226 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 178.8 | -68.9 | 166.4 | 0 | 0 | 0 | 110.5 | I127 E179 L180 | I127-I183 HydrophobicContact CD1-CG2 4.34Å; E179-I183 HydrophobicContact CG-CD1 3.98Å; E179-I183 WeakPolarHBondContact O-CB 3.35Å; E179-I183 VanDerWaalsContact O-CG1 3.24Å; E179-I183 WeakPolarHBondContact O-CG1 3.17Å; E179-I183 PolarHBondContact O-N 3.31Å; L180-I183 PolarHBondContact O-N 2.84Å |
| 184 | L | 67.6 | Low | 65.9 | Low | 7 Ų | 7 | 79.9 Ų | 79.9 | 4% | 0.037 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -83.1 | -32.9 | -169 | -60.5 | 172.6 | 0 | 0 | 0 | 112.9 | Y110 I127 M157 F170 C174 L180 N186 | Y110-L184 HydrophobicContact CE1-CD2 3.78Å; Y110-L184 HydrophobicContact CE2-CB 4.44Å; Y110-L184 HydrophobicContact CE2-CD2 4.04Å; Y110-L184 WeakPolarHBondContact OH-CD2 3.32Å; I127-L184 HydrophobicContact CD1-CD2 4.13Å; M157-L184 HydrophobicContact CE-CD1 3.36Å; M157-L184 HydrophobicContact SD-CD1 4.46Å; F170-L184 HydrophobicContact CE2-CD1 4Å; F170-L184 HydrophobicContact CZ-CB 4.33Å; F170-L184 HydrophobicContact CZ-CD1 4.06Å; C174-L184 WeakPolarHBondContact SG-CD1 3.5Å; L180-L184 HydrophobicContact CB-CD1 4.23Å; L180-L184 VanDerWaalsContact O-CB 3.28Å; L180-L184 WeakPolarHBondContact O-CB 3.29Å; L180-L184 WeakPolarHBondContact O-CG 3.38Å; L180-L184 PolarHBondContact O-N 2.95Å; L184-N186 VanDerWaalsContact C-N 3.3Å |
| 185 | T | 67.2 | Low | 64.6 | Low | 19 Ų | 19 | 84.9 Ų | 84.9 | 12% | 0.117 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -84.2 | -8.4 | 176.7 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | L103 F181 D187 | L103-T185 HydrophobicContact CD2-CG2 3.61Å; L103-T185 HydrophobicContact CG-CG2 4.4Å; F181-T185 HydrophobicContact CD1-CG2 4.35Å; F181-T185 HydrophobicContact CD2-CG2 4.05Å; F181-T185 HydrophobicContact CE1-CG2 4.12Å; F181-T185 HydrophobicContact CE2-CG2 3.81Å; F181-T185 HydrophobicContact CG-CG2 4.31Å; F181-T185 HydrophobicContact CZ-CG2 3.84Å; F181-T185 VanDerWaalsContact O-CB 3.31Å; F181-T185 WeakPolarHBondContact O-CB 3.46Å; F181-T185 WeakPolarHBondContact O-CG2 3.24Å; F181-T185 PolarHBondContact O-N 3.09Å; F181-T185 PolarHBondContact O-OG1 2.8Å; T185-D187 PolarHBondContact O-N 3.43Å |
| 186 | N | 62 | Low | 63.3 | Low | 42 Ų | 42 | 84.5 Ų | 84.5 | 23% | 0.225 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 28.6 | -177 | -132.2 | 1.2 | 0 | 0 | 0 | 112.5 | F66 Q182 L184 M188 | F66-N186 WeakPolarHBondContact CZ-ND2 3.42Å; Q182-N186 PolarHBondContact O-N 2.67Å; L184-N186 VanDerWaalsContact C-N 3.3Å; N186-M188 PolarHBondContact O-N 3.09Å |
| 187 | D | 55.6 | Low | 61.9 | Low | 69 Ų | 69 | 84 Ų | 84 | 37% | 0.369 | 39% | 0.39 | S | S | . | . | trans | -75.9 | 66.8 | 176.7 | -143.4 | -3.8 | 0 | 0 | 0 | 107.7 | K102 T185 K189 | K102-D187 IonicContact NZ-OD2 2.67Å; T185-D187 PolarHBondContact O-N 3.43Å; D187-K189 PolarHBondContact O-N 2.57Å | ||
| 188 | M | 37.9 | Very low | 60.8 | Low | 117 Ų | 117 | 88.4 Ų | 88.4 | 58% | 0.576 | 41% | 0.409 | S | S | * | . | trans | -68 | 84.9 | 173.4 | -66.3 | -174.9 | 74.3 | 0 | 0 | 107.4 | F58 L134 N186 K190 | F58-M188 HydrophobicContact CE1-SD 4.15Å; F58-M188 HydrophobicContact CZ-SD 4.47Å; L134-M188 HydrophobicContact CD2-CE 4.11Å; L134-M188 HydrophobicContact CD2-SD 3.95Å; N186-M188 PolarHBondContact O-N 3.09Å; M188-K190 PolarHBondContact O-N 2.9Å | ||
| 189 | K | 34.4 | Very low | 59.4 | Low | 178 Ų | 178 | 82.7 Ų | 82.7 | 77% | 0.774 | 39% | 0.386 | S | S | * | . | trans | -57.5 | 111.3 | 161 | -70.7 | -173.9 | 175.5 | -176.9 | 0 | 107 | D187 | D187-K189 PolarHBondContact O-N 2.57Š| ||
| 190 | K | 28.9 | Very low | 58.2 | Low | 276 Ų | 276 | 80.8 Ų | 80.8 | 100% | 1.2 | 38% | 0.378 | S | S | * | . | trans | -56.4 | 0 | 153.6 | -72.6 | -169.6 | -179.4 | -176.1 | 0 | 109.6 | M188 | M188-K190 PolarHBondContact O-N 2.9Š|
Retrieved 190 of 190 residues in 1446.9 ms
(Link to these results)