| 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 | 41.1 | Very low | 60.6 | Low | 237 Ų | 237 | 129.6 Ų | 129.6 | 100% | 1.167 | 68% | 0.683 | S | S | * | * | 0 | 83.4 | 0 | -71 | -161.9 | -71.4 | 0 | 0 | 107.9 | |||||
| 2 | S | 45 | Very low | 61.8 | Low | 116 Ų | 116 | 136.7 Ų | 136.7 | 81% | 0.811 | 70% | 0.696 | S | S | * | * | trans | -144.9 | 11.4 | -161.8 | -44.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 3 | E | 43.5 | Very low | 63.1 | Low | 191 Ų | 191 | 132.8 Ų | 132.8 | 89% | 0.893 | 67% | 0.669 | S | S | * | * | trans | -123.4 | 41 | -172.5 | -62 | -161.9 | 154.9 | 0 | 0 | 113.6 | ||||
| 4 | L | 50.1 | Low | 64.1 | Low | 159 Ų | 159 | 132.4 Ų | 132.4 | 83% | 0.832 | 67% | 0.669 | S | S | * | * | trans | -122.5 | 24.1 | 176.3 | -143.2 | 80.2 | 0 | 0 | 0 | 113.5 | ||||
| 5 | K | 54.8 | Low | 65.2 | Low | 200 Ų | 200 | 128.1 Ų | 128.1 | 87% | 0.87 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -100.2 | -19.6 | 178.8 | -83.1 | -168.6 | 173.6 | -171.2 | 0 | 115.2 | ||
| 6 | D | 60.8 | Low | 66.1 | Low | 133 Ų | 133 | 129.6 Ų | 129.6 | 71% | 0.711 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -106.8 | 33.3 | -173.6 | -70.1 | -11.6 | 0 | 0 | 0 | 113.2 | W75 | D6-W75 WeakPolarHBondContact O-CZ2 3.31Š|
| 7 | C | 62.5 | Low | 66.8 | Low | 86 Ų | 86 | 127.6 Ų | 127.6 | 58% | 0.581 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -102.1 | 139.7 | 171.3 | -72.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 8 | P | 68.4 | Low | 67.9 | Low | 26 Ų | 26 | 121.9 Ų | 121.9 | 17% | 0.169 | 62% | 0.617 | C | S | . | * | trans | -60.4 | 140.5 | 171.5 | 25 | -32.4 | 0 | 0 | 0 | 110.1 | L10 L72 W75 | P8-L10 HydrophobicContact CB-CG 4.49Å; P8-L10 HydrophobicContact CG-CG 4.36Å; P8-L10 PolarHBondContact O-N 2.68Å; P8-L72 HydrophobicContact CB-CD2 4.18Å; P8-L72 HydrophobicContact CG-CD2 3.68Å; P8-W75 HydrophobicContact CB-CB 4.17Å; P8-W75 HydrophobicContact CB-CD2 4.01Å; P8-W75 HydrophobicContact CB-CG 3.82Å; P8-W75 HydrophobicContact CG-CD2 4.27Å; P8-W75 HydrophobicContact CG-CE3 4.37Å | ||
| 9 | P | 76.6 | Confident | 69 | Low | 104 Ų | 104 | 121.4 Ų | 121.4 | 68% | 0.675 | 61% | 0.612 | S | S | * | * | trans | -77.8 | 67.3 | -175.7 | 33.2 | -36.8 | 0 | 0 | 0 | 111.5 | I71 | P9-I71 HydrophobicContact CG-CG2 4.47Š| ||
| 10 | L | 81 | Confident | 70 | Confident | 55 Ų | 55 | 118.7 Ų | 118.7 | 29% | 0.288 | 60% | 0.597 | S | S | . | * | trans | -71.9 | 133.7 | 178.4 | -69.7 | 178.5 | 0 | 0 | 0 | 111.8 | P8 Q68 L72 | P8-L10 HydrophobicContact CB-CG 4.49Å; P8-L10 HydrophobicContact CG-CG 4.36Å; P8-L10 PolarHBondContact O-N 2.68Å; L10-Q68 HydrophobicContact CD2-CB 4.06Å; L10-L72 HydrophobicContact CD1-CD1 4.46Å; L10-L72 HydrophobicContact CD1-CD2 4.25Å; L10-L72 HydrophobicContact CD2-CD1 4.25Å; L10-L72 HydrophobicContact CD2-CD2 4.36Å; L10-L72 HydrophobicContact CD2-CG 4Å | ||
| 11 | K | 82.3 | Confident | 70.9 | Confident | 119 Ų | 119 | 118 Ų | 118 | 52% | 0.517 | 60% | 0.599 | S | S | . | * | trans | -88.2 | 117 | 166.2 | -65.3 | 172.6 | -171.2 | 160.4 | 0 | 108.8 | Y13 E67 | K11-Y13 HydrophobicContact CB-CD2 4.22Å; K11-Y13 HydrophobicContact CB-CE2 3.65Å; K11-Y13 HydrophobicContact CD-CE2 4.45Å; K11-Y13 VanDerWaalsContact O-CD2 3.24Å; K11-Y13 WeakPolarHBondContact O-CD2 3.34Å; K11-Y13 PolarHBondContact O-N 2.67Å; K11-E67 IonicContact NZ-OE1 3.45Å; K11-E67 PolarHBondContact NZ-OE1 2.72Å | ||
| 12 | Y | 75.6 | Confident | 73.2 | Confident | 214 Ų | 214 | 114 Ų | 114 | 84% | 0.839 | 58% | 0.575 | S | S | * | * | trans | -77.8 | 110 | 168.5 | -65.6 | -84.4 | 0 | 0 | 0 | 109 | ||||
| 13 | Y | 78.8 | Confident | 75.3 | Confident | 86 Ų | 86 | 113.8 Ų | 113.8 | 34% | 0.337 | 56% | 0.564 | S | S | . | * | trans | -90.2 | 123.9 | 176 | -68.5 | -92.5 | 0 | 0 | 0 | 110.2 | K11 F15 A64 Q68 | K11-Y13 HydrophobicContact CB-CD2 4.22Å; K11-Y13 HydrophobicContact CB-CE2 3.65Å; K11-Y13 HydrophobicContact CD-CE2 4.45Å; K11-Y13 VanDerWaalsContact O-CD2 3.24Å; K11-Y13 WeakPolarHBondContact O-CD2 3.34Å; K11-Y13 PolarHBondContact O-N 2.67Å; Y13-F15 VanDerWaalsContact CB-CE1 3.46Å; Y13-F15 VanDerWaalsContact CB-CZ 3.4Å; Y13-F15 HydrophobicContact CD1-CE1 4.38Å; Y13-F15 HydrophobicContact CD2-CZ 4.16Å; Y13-F15 AromaticContact CG-CE1 3.95Å; Y13-F15 HydrophobicContact CG-CE1 3.95Å; Y13-F15 AromaticContact CG-CZ 3.86Å; Y13-F15 HydrophobicContact CG-CZ 3.86Å; Y13-F15 PolarHBondContact O-N 2.95Å; Y13-F15 VanDerWaalsContact O-N 3.12Å; Y13-A64 HydrophobicContact CD1-CB 4.29Å; Y13-A64 HydrophobicContact CD2-CB 4.33Å; Y13-A64 HydrophobicContact CE1-CB 4.02Å; Y13-A64 HydrophobicContact CE2-CB 4.09Å; Y13-A64 HydrophobicContact CG-CB 4.44Å; Y13-Q68 HydrophobicContact CD2-CG 4.27Å; Y13-Q68 HydrophobicContact CE2-CG 3.82Å | ||
| 14 | D | 77.4 | Confident | 77.7 | Confident | 127 Ų | 127 | 104.7 Ų | 104.7 | 68% | 0.679 | 52% | 0.521 | S | S | * | . | trans | -75.2 | 94.7 | 165.5 | 178.3 | 14.9 | 0 | 0 | 0 | 109.2 | K16 | D14-K16 VanDerWaalsContact C-N 3.3Å; D14-K16 PolarHBondContact O-N 3.13Å; D14-K16 WeakPolarHBondContact OD2-CE 3.24Å; D14-K16 IonicContact OD2-NZ 2.7Å | ||
| 15 | F | 80.1 | Confident | 79.7 | Confident | 69 Ų | 69 | 100.7 Ų | 100.7 | 30% | 0.303 | 51% | 0.505 | S | S | . | . | trans | -81.7 | 72.1 | -177.7 | -69.2 | -51.7 | 0 | 0 | 0 | 112.5 | Y13 R61 A64 L65 | Y13-F15 VanDerWaalsContact CB-CE1 3.46Å; Y13-F15 VanDerWaalsContact CB-CZ 3.4Å; Y13-F15 HydrophobicContact CD1-CE1 4.38Å; Y13-F15 HydrophobicContact CD2-CZ 4.16Å; Y13-F15 AromaticContact CG-CE1 3.95Å; Y13-F15 HydrophobicContact CG-CE1 3.95Å; Y13-F15 AromaticContact CG-CZ 3.86Å; Y13-F15 HydrophobicContact CG-CZ 3.86Å; Y13-F15 PolarHBondContact O-N 2.95Å; Y13-F15 VanDerWaalsContact O-N 3.12Å; F15-R61 HydrophobicContact CD1-CB 3.9Å; F15-R61 HydrophobicContact CD1-CG 3.5Å; F15-R61 HydrophobicContact CE1-CB 3.87Å; F15-R61 HydrophobicContact CE1-CG 3.89Å; F15-R61 HydrophobicContact CG-CG 4.28Å; F15-A64 HydrophobicContact CE1-CB 4.16Å; F15-A64 HydrophobicContact CZ-CB 4.18Å; F15-L65 HydrophobicContact CE2-CD1 4.14Å; F15-L65 HydrophobicContact CE2-CD2 3.67Å; F15-L65 HydrophobicContact CE2-CG 3.73Å; F15-L65 HydrophobicContact CZ-CD1 4.43Å; F15-L65 HydrophobicContact CZ-CD2 4.08Å; F15-L65 HydrophobicContact CZ-CG 3.77Å | ||
| 16 | K | 79.1 | Confident | 81.5 | Confident | 151 Ų | 151 | 95.5 Ų | 95.5 | 66% | 0.657 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 123.7 | 170.2 | -59.8 | -168.7 | -176.7 | -172.4 | 0 | 110.1 | D14 | D14-K16 VanDerWaalsContact C-N 3.3Å; D14-K16 PolarHBondContact O-N 3.13Å; D14-K16 WeakPolarHBondContact OD2-CE 3.24Å; D14-K16 IonicContact OD2-NZ 2.7Å |
| 17 | P | 79.2 | Confident | 83.1 | Confident | 96 Ų | 96 | 92.2 Ų | 92.2 | 62% | 0.623 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 159 | 173.8 | 28.9 | -34.1 | 0 | 0 | 0 | 110.1 | E19 | P17-E19 PolarHBondContact O-N 3.46Š|
| 18 | V | 85.8 | Confident | 84.6 | Confident | 26 Ų | 26 | 89.9 Ų | 89.9 | 16% | 0.158 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 127.4 | 170.4 | -176 | 0 | 0 | 0 | 0 | 108 | H20 L23 L54 S57 | V18-H20 PolarHBondContact O-N 3.39Å; V18-L23 HydrophobicContact CG1-CB 4.08Å; V18-L23 HydrophobicContact CG1-CD1 3.79Å; V18-L54 HydrophobicContact CB-CD2 3.74Å; V18-L54 HydrophobicContact CG1-CD2 3.86Å; V18-L54 HydrophobicContact CG2-CD2 4.16Å; V18-S57 WeakPolarHBondContact CG2-OG 3.35Å |
| 19 | E | 89 | Confident | 85.7 | Confident | 111 Ų | 111 | 91 Ų | 91 | 52% | 0.519 | 45% | 0.452 | S | S | . | . | trans | -71.2 | 74.8 | 171.1 | -67.5 | -173.5 | -167.3 | 0 | 0 | 109.7 | P17 V21 K22 L23 | P17-E19 PolarHBondContact O-N 3.46Å; E19-V21 PolarHBondContact O-N 2.96Å; E19-V21 VanDerWaalsContact O-N 3.13Å; E19-K22 PolarHBondContact O-N 3.11Å; E19-K22 VanDerWaalsContact OE2-CD 3.27Å; E19-K22 WeakPolarHBondContact OE2-CD 3.42Å; E19-K22 WeakPolarHBondContact OE2-CE 3.42Å; E19-K22 IonicContact OE2-NZ 3.48Å; E19-K22 PolarHBondContact OE2-NZ 3.4Å; E19-L23 PolarHBondContact O-N 2.88Å | ||
| 20 | H | 89.3 | Confident | 86.4 | Confident | 67 Ų | 67 | 87.6 Ų | 87.6 | 31% | 0.31 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -56.1 | -31.9 | -175.7 | 66.1 | 83.5 | 0 | 0 | 0 | 112.2 | V18 K22 L23 C24 Y27 T28 L54 | V18-H20 PolarHBondContact O-N 3.39Å; H20-K22 PolarHBondContact O-N 3Å; H20-K22 VanDerWaalsContact O-N 3.13Å; H20-L23 PolarHBondContact O-N 3.39Å; H20-C24 HydrophobicContact CB-CB 4Å; H20-C24 CarbonylContact O-C 3.54Å; H20-C24 WeakPolarHBondContact O-CA 3.38Å; H20-C24 PolarHBondContact O-N 3.47Å; H20-Y27 HydrophobicContact CB-CD1 4.12Å; H20-Y27 HydrophobicContact CB-CE1 4.32Å; H20-T28 VanDerWaalsContact C-OG1 3.24Å; H20-T28 PolarHBondContact ND1-OG1 3.09Å; H20-T28 PolarHBondContact O-OG1 3.13Å; H20-L54 HydrophobicContact CB-CD2 4.27Å |
| 21 | V | 88.8 | Confident | 86.9 | Confident | 104 Ų | 104 | 90.1 Ų | 90.1 | 63% | 0.63 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -57.2 | -28.8 | 175 | -175 | 0 | 0 | 0 | 0 | 112.9 | E19 T28 | E19-V21 PolarHBondContact O-N 2.96Å; E19-V21 VanDerWaalsContact O-N 3.13Å; V21-T28 HydrophobicContact CG2-CG2 4.21Å; V21-T28 PolarHBondContact N-OG1 3.36Å |
| 22 | K | 89 | Confident | 87.2 | Confident | 154 Ų | 154 | 87.8 Ų | 87.8 | 67% | 0.67 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -104.1 | -37.1 | 177.5 | -61.4 | -177.7 | -166.9 | 152.9 | 0 | 113.4 | E19 H20 | E19-K22 PolarHBondContact O-N 3.11Å; E19-K22 VanDerWaalsContact OE2-CD 3.27Å; E19-K22 WeakPolarHBondContact OE2-CD 3.42Å; E19-K22 WeakPolarHBondContact OE2-CE 3.42Å; E19-K22 IonicContact OE2-NZ 3.48Å; E19-K22 PolarHBondContact OE2-NZ 3.4Å; H20-K22 PolarHBondContact O-N 3Å; H20-K22 VanDerWaalsContact O-N 3.13Å |
| 23 | L | 89.1 | Confident | 88 | Confident | 111 Ų | 111 | 81.5 Ų | 81.5 | 58% | 0.581 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -99.6 | -15.7 | -170.7 | -64 | 173.4 | 0 | 0 | 0 | 113.7 | V18 E19 H20 | V18-L23 HydrophobicContact CG1-CB 4.08Å; V18-L23 HydrophobicContact CG1-CD1 3.79Å; E19-L23 PolarHBondContact O-N 2.88Å; H20-L23 PolarHBondContact O-N 3.39Å |
| 24 | C | 93.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 43% | 0.432 | C | S | . | . | trans | -137.7 | 62.8 | -179.4 | -50.8 | 0 | 0 | 0 | 0 | 110.2 | H20 Y27 T28 E50 | H20-C24 HydrophobicContact CB-CB 4Å; H20-C24 CarbonylContact O-C 3.54Å; H20-C24 WeakPolarHBondContact O-CA 3.38Å; H20-C24 PolarHBondContact O-N 3.47Å; C24-Y27 HydrophobicContact CB-CD1 4.32Å; C24-T28 WeakPolarHBondContact O-CB 3.41Å; C24-T28 PolarHBondContact O-N 2.88Å; C24-T28 PolarHBondContact O-OG1 3.07Å; C24-E50 VanDerWaalsContact C-CD 3.49Å; C24-E50 VanDerWaalsContact CA-CD 3.42Å; C24-E50 WeakPolarHBondContact CA-OE2 3.46Å; C24-E50 HydrophobicContact CB-CB 3.97Å; C24-E50 HydrophobicContact CB-CG 4.19Å; C24-E50 WeakPolarHBondContact CB-OE2 3.38Å | ||
| 25 | P | 92.7 | Very high | 88.5 | Confident | 75 Ų | 75 | 83.8 Ų | 83.8 | 49% | 0.487 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.8 | -33.9 | -175.9 | 27.2 | -35.8 | 0 | 0 | 0 | 113.6 | T28 A29 E50 | P25-T28 PolarHBondContact O-N 3.28Å; P25-A29 VanDerWaalsContact O-CB 3.31Å; P25-A29 WeakPolarHBondContact O-CB 3.33Å; P25-A29 PolarHBondContact O-N 3.03Å; P25-E50 VanDerWaalsContact CD-OE1 3.24Å; P25-E50 WeakPolarHBondContact CD-OE1 3.42Å |
| 26 | R | 92.7 | Very high | 88.7 | Confident | 91 Ų | 91 | 88 Ų | 88 | 34% | 0.343 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.7 | -45.9 | 177 | -172.2 | 65.6 | 63.4 | 171.3 | 0.1 | 111.2 | T28 A29 V30 E43 T46 L47 E50 | R26-T28 VanDerWaalsContact C-N 3.32Å; R26-T28 PolarHBondContact O-N 3.17Å; R26-A29 PolarHBondContact O-N 2.82Å; R26-V30 WeakPolarHBondContact O-CG2 3.49Å; R26-V30 PolarHBondContact O-N 3.24Å; R26-E43 IonicContact CZ-OE1 3.28Å; R26-E43 IonicContact NE-OE1 3.09Å; R26-E43 IonicContact NH1-OE1 3.76Å; R26-E43 PolarHBondContact NH1-OE1 3.27Å; R26-T46 HydrophobicContact CB-CG2 3.99Å; R26-T46 HydrophobicContact CG-CG2 4.37Å; R26-L47 HydrophobicContact CG-CB 4.18Å; R26-L47 HydrophobicContact CG-CD1 4.46Å; R26-E50 WeakPolarHBondContact CA-OE2 3.38Å; R26-E50 VanDerWaalsContact CB-OE1 3.28Å; R26-E50 WeakPolarHBondContact CB-OE1 3.4Å; R26-E50 WeakPolarHBondContact CB-OE2 3.37Å; R26-E50 VanDerWaalsContact N-CD 3.34Å; R26-E50 PolarHBondContact N-OE1 3.39Å; R26-E50 PolarHBondContact N-OE2 3.03Å |
| 27 | Y | 93.8 | Very high | 88.8 | Confident | 64 Ų | 64 | 86 Ų | 86 | 25% | 0.251 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -56.8 | -47 | 172.9 | 171.9 | -101.7 | 0 | 0 | 0 | 111 | H20 C24 A29 V30 L31 L47 E50 L51 L54 | H20-Y27 HydrophobicContact CB-CD1 4.12Å; H20-Y27 HydrophobicContact CB-CE1 4.32Å; C24-Y27 HydrophobicContact CB-CD1 4.32Å; Y27-A29 VanDerWaalsContact C-N 3.33Å; Y27-A29 PolarHBondContact O-N 3.33Å; Y27-V30 PolarHBondContact O-N 3.18Å; Y27-L31 HydrophobicContact CD1-CD1 4.1Å; Y27-L31 HydrophobicContact CE1-CD1 3.49Å; Y27-L31 VanDerWaalsContact CE1-CD1 3.49Å; Y27-L31 HydrophobicContact CE1-CG 4.22Å; Y27-L31 HydrophobicContact CE2-CD1 4.44Å; Y27-L31 HydrophobicContact CE2-CD2 4.45Å; Y27-L31 HydrophobicContact CE2-CG 4.39Å; Y27-L31 WeakPolarHBondContact O-CG 3.24Å; Y27-L31 PolarHBondContact O-N 3.34Å; Y27-L47 HydrophobicContact CD2-CD1 4.39Å; Y27-E50 WeakPolarHBondContact CB-OE2 3.44Å; Y27-E50 PolarHBondContact N-OE2 2.98Å; Y27-L51 HydrophobicContact CD2-CD2 3.66Å; Y27-L51 HydrophobicContact CD2-CG 4.49Å; Y27-L51 HydrophobicContact CE2-CD2 3.83Å; Y27-L54 HydrophobicContact CD1-CD1 3.69Å; Y27-L54 HydrophobicContact CD2-CD1 4.16Å; Y27-L54 HydrophobicContact CE1-CD1 3.67Å; Y27-L54 HydrophobicContact CE2-CD1 4.17Å; Y27-L54 HydrophobicContact CG-CD1 3.93Å |
| 28 | T | 93.9 | Very high | 89 | Confident | 37 Ų | 37 | 83.2 Ų | 83.2 | 23% | 0.227 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -63.7 | -37.7 | 177.5 | -55.4 | 0 | 0 | 0 | 0 | 112.1 | H20 V21 C24 P25 R26 | H20-T28 VanDerWaalsContact C-OG1 3.24Å; H20-T28 PolarHBondContact ND1-OG1 3.09Å; H20-T28 PolarHBondContact O-OG1 3.13Å; V21-T28 HydrophobicContact CG2-CG2 4.21Å; V21-T28 PolarHBondContact N-OG1 3.36Å; C24-T28 WeakPolarHBondContact O-CB 3.41Å; C24-T28 PolarHBondContact O-N 2.88Å; C24-T28 PolarHBondContact O-OG1 3.07Å; P25-T28 PolarHBondContact O-N 3.28Å; R26-T28 VanDerWaalsContact C-N 3.32Å; R26-T28 PolarHBondContact O-N 3.17Å |
| 29 | A | 91.9 | Very high | 89.2 | Confident | 49 Ų | 49 | 86.5 Ų | 86.5 | 41% | 0.405 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.2 | -39 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P25 R26 Y27 G32 | P25-A29 VanDerWaalsContact O-CB 3.31Å; P25-A29 WeakPolarHBondContact O-CB 3.33Å; P25-A29 PolarHBondContact O-N 3.03Å; R26-A29 PolarHBondContact O-N 2.82Å; Y27-A29 VanDerWaalsContact C-N 3.33Å; Y27-A29 PolarHBondContact O-N 3.33Å; A29-G32 PolarHBondContact O-N 2.81Å |
| 30 | V | 92.1 | Very high | 89.1 | Confident | 34 Ų | 34 | 82.8 Ų | 82.8 | 21% | 0.206 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 175.7 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | R26 Y27 G32 R33 I39 L47 | R26-V30 WeakPolarHBondContact O-CG2 3.49Å; R26-V30 PolarHBondContact O-N 3.24Å; Y27-V30 PolarHBondContact O-N 3.18Å; V30-G32 PolarHBondContact O-N 2.77Å; V30-G32 VanDerWaalsContact O-N 3.14Å; V30-R33 PolarHBondContact O-N 2.8Å; V30-I39 HydrophobicContact CG1-CD1 4.31Å; V30-I39 HydrophobicContact CG1-CG1 4.23Å; V30-L47 HydrophobicContact CG2-CD1 4.46Å; V30-L47 HydrophobicContact CG2-CD2 4.43Å |
| 31 | L | 91.5 | Very high | 89 | Confident | 107 Ų | 107 | 86.7 Ų | 86.7 | 56% | 0.56 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -18.6 | 173.8 | -72.4 | -179.4 | 0 | 0 | 0 | 114.2 | Y27 | Y27-L31 HydrophobicContact CD1-CD1 4.1Å; Y27-L31 HydrophobicContact CE1-CD1 3.49Å; Y27-L31 VanDerWaalsContact CE1-CD1 3.49Å; Y27-L31 HydrophobicContact CE1-CG 4.22Å; Y27-L31 HydrophobicContact CE2-CD1 4.44Å; Y27-L31 HydrophobicContact CE2-CD2 4.45Å; Y27-L31 HydrophobicContact CE2-CG 4.39Å; Y27-L31 WeakPolarHBondContact O-CG 3.24Å; Y27-L31 PolarHBondContact O-N 3.34Å |
| 32 | G | 88.4 | Confident | 89 | Confident | 70 Ų | 70 | 90.6 Ų | 90.6 | 72% | 0.722 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 4.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | A29 V30 | A29-G32 PolarHBondContact O-N 2.81Å; V30-G32 PolarHBondContact O-N 2.77Å; V30-G32 VanDerWaalsContact O-N 3.14Å |
| 33 | R | 92.1 | Very high | 89.1 | Confident | 83 Ų | 83 | 84.4 Ų | 84.4 | 31% | 0.313 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -90.4 | 163.7 | -178.7 | -67.4 | -178.3 | -173.8 | 175.4 | 1 | 112.6 | V30 D37 G38 E43 | V30-R33 PolarHBondContact O-N 2.8Å; R33-D37 HydrophobicContact CB-CB 4.15Å; R33-G38 PolarHBondContact NH1-O 3.48Å; R33-E43 IonicContact CZ-OE1 2.72Å; R33-E43 IonicContact CZ-OE2 3.35Å; R33-E43 IonicContact NH1-OE1 2.72Å; R33-E43 IonicContact NH1-OE2 3.17Å; R33-E43 PolarHBondContact NH1-OE2 2.92Å; R33-E43 IonicContact NH2-OE1 2.68Å; R33-E43 PolarHBondContact NH2-OE1 2.88Å; R33-E43 IonicContact NH2-OE2 3.73Å; R33-E43 PolarHBondContact NH2-OE2 3.24Å |
| 34 | S | 86.6 | Confident | 89.3 | Confident | 60 Ų | 60 | 83.3 Ų | 83.3 | 42% | 0.42 | 46% | 0.463 | S | S | . | . | trans | -76.7 | 159.4 | 165.7 | 73 | 0 | 0 | 0 | 0 | 110.8 | D36 D37 | S34-D36 PolarHBondContact O-N 3.46Å; S34-D37 WeakPolarHBondContact CB-OD2 3.46Å; S34-D37 PolarHBondContact N-OD2 3.02Å; S34-D37 PolarHBondContact O-N 3.07Å; S34-D37 PolarHBondContact OG-OD2 3.18Å | ||
| 35 | E | 79.9 | Confident | 89.1 | Confident | 200 Ų | 200 | 89.5 Ų | 89.5 | 94% | 0.935 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -24.8 | 177.9 | -63 | -172.7 | 153.7 | 0 | 0 | 112.4 | ||
| 36 | D | 83.4 | Confident | 89.1 | Confident | 159 Ų | 159 | 88.8 Ų | 88.8 | 85% | 0.85 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -22.1 | 179.5 | -64.3 | -46.2 | 0 | 0 | 0 | 113.9 | S34 | S34-D36 PolarHBondContact O-N 3.46Š|
| 37 | D | 82.8 | Confident | 89.2 | Confident | 108 Ų | 108 | 85 Ų | 85 | 58% | 0.578 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -24.5 | -174.6 | -68.7 | -56.2 | 0 | 0 | 0 | 113.6 | R33 S34 | R33-D37 HydrophobicContact CB-CB 4.15Å; S34-D37 WeakPolarHBondContact CB-OD2 3.46Å; S34-D37 PolarHBondContact N-OD2 3.02Å; S34-D37 PolarHBondContact O-N 3.07Å; S34-D37 PolarHBondContact OG-OD2 3.18Å |
| 38 | G | 83.4 | Confident | 89.2 | Confident | 38 Ų | 38 | 85.8 Ų | 85.8 | 39% | 0.392 | 48% | 0.483 | S | S | . | . | trans | 60.9 | -162.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | R33 | R33-G38 PolarHBondContact NH1-O 3.48Š| ||
| 39 | I | 89.4 | Confident | 89.1 | Confident | 94 Ų | 94 | 89.4 Ų | 89.4 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | trans | -124.6 | 121.5 | 179.5 | -60 | 170.5 | 0 | 0 | 0 | 108.4 | V30 L47 | V30-I39 HydrophobicContact CG1-CD1 4.31Å; V30-I39 HydrophobicContact CG1-CG1 4.23Å; I39-L47 HydrophobicContact CD1-CD2 3.89Å; I39-L47 HydrophobicContact CG2-CD2 3.99Å | ||
| 40 | G | 87.4 | Confident | 89.3 | Confident | 33 Ų | 33 | 88 Ų | 88 | 34% | 0.34 | 49% | 0.485 | S | S | . | . | trans | -73 | 145.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E42 E43 L44 | G40-E42 PolarHBondContact O-N 3.23Å; G40-E43 PolarHBondContact N-OE2 3.48Å; G40-E43 VanDerWaalsContact N-OE2 3.16Å; G40-E43 WeakPolarHBondContact O-CB 3.48Å; G40-E43 PolarHBondContact O-N 2.97Å; G40-L44 PolarHBondContact O-N 3.39Å | ||
| 41 | I | 87.1 | Confident | 89.4 | Confident | 150 Ų | 150 | 90 Ų | 90 | 77% | 0.769 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -61.1 | -32.5 | -178.7 | -162.4 | 165.4 | 0 | 0 | 0 | 112.8 | E43 L44 | I41-E43 PolarHBondContact O-N 3.44Å; I41-L44 WeakPolarHBondContact O-CB 3.49Å; I41-L44 PolarHBondContact O-N 2.87Å |
| 42 | E | 88.8 | Confident | 89.5 | Confident | 185 Ų | 185 | 88.4 Ų | 88.4 | 86% | 0.864 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -70.9 | -17 | 176.3 | -58.6 | -174.4 | -162.8 | 0 | 0 | 113.3 | G40 | G40-E42 PolarHBondContact O-N 3.23Š|
| 43 | E | 91.2 | Very high | 89.6 | Confident | 25 Ų | 25 | 88.1 Ų | 88.1 | 12% | 0.117 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -91.3 | -17 | 179.6 | -53.5 | -172.3 | 105.9 | 0 | 0 | 112.5 | R26 R33 G40 I41 D45 T46 L47 | R26-E43 IonicContact CZ-OE1 3.28Å; R26-E43 IonicContact NE-OE1 3.09Å; R26-E43 IonicContact NH1-OE1 3.76Å; R26-E43 PolarHBondContact NH1-OE1 3.27Å; R33-E43 IonicContact CZ-OE1 2.72Å; R33-E43 IonicContact CZ-OE2 3.35Å; R33-E43 IonicContact NH1-OE1 2.72Å; R33-E43 IonicContact NH1-OE2 3.17Å; R33-E43 PolarHBondContact NH1-OE2 2.92Å; R33-E43 IonicContact NH2-OE1 2.68Å; R33-E43 PolarHBondContact NH2-OE1 2.88Å; R33-E43 IonicContact NH2-OE2 3.73Å; R33-E43 PolarHBondContact NH2-OE2 3.24Å; G40-E43 PolarHBondContact N-OE2 3.48Å; G40-E43 VanDerWaalsContact N-OE2 3.16Å; G40-E43 WeakPolarHBondContact O-CB 3.48Å; G40-E43 PolarHBondContact O-N 2.97Å; I41-E43 PolarHBondContact O-N 3.44Å; E43-D45 PolarHBondContact O-N 2.67Å; E43-T46 PolarHBondContact O-N 2.89Å; E43-L47 WeakPolarHBondContact O-CB 3.35Å; E43-L47 PolarHBondContact O-N 3.41Å |
| 44 | L | 92.1 | Very high | 89.6 | Confident | 88 Ų | 88 | 85.9 Ų | 85.9 | 46% | 0.461 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | -166.6 | -170.5 | 62.8 | 0 | 0 | 0 | 112.6 | G40 I41 T46 L47 Q48 | G40-L44 PolarHBondContact O-N 3.39Å; I41-L44 WeakPolarHBondContact O-CB 3.49Å; I41-L44 PolarHBondContact O-N 2.87Å; L44-T46 VanDerWaalsContact C-N 3.34Å; L44-T46 PolarHBondContact O-N 3.39Å; L44-L47 PolarHBondContact O-N 3.36Å; L44-Q48 WeakPolarHBondContact O-CB 3.41Å; L44-Q48 PolarHBondContact O-N 3.24Å |
| 45 | D | 90.2 | Very high | 89.9 | Confident | 130 Ų | 130 | 88.2 Ų | 88.2 | 70% | 0.695 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63 | -40 | 179.4 | -69.1 | -18 | 0 | 0 | 0 | 111.9 | E43 L49 | E43-D45 PolarHBondContact O-N 2.67Å; D45-L49 PolarHBondContact O-N 2.86Å |
| 46 | T | 92.4 | Very high | 90.4 | Very high | 60 Ų | 60 | 82.1 Ų | 82.1 | 37% | 0.368 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69.9 | -43.9 | 177.3 | -57.5 | 0 | 0 | 0 | 0 | 110.7 | R26 E43 L44 Q48 L49 E50 | R26-T46 HydrophobicContact CB-CG2 3.99Å; R26-T46 HydrophobicContact CG-CG2 4.37Å; E43-T46 PolarHBondContact O-N 2.89Å; L44-T46 VanDerWaalsContact C-N 3.34Å; L44-T46 PolarHBondContact O-N 3.39Å; T46-Q48 VanDerWaalsContact C-N 3.33Å; T46-Q48 PolarHBondContact O-N 3.4Å; T46-L49 PolarHBondContact O-N 3.41Å; T46-E50 WeakPolarHBondContact O-CG 3.48Å; T46-E50 PolarHBondContact O-N 3.16Å; T46-E50 VanDerWaalsContact O-N 3.12Å |
| 47 | L | 94 | Very high | 90.7 | Very high | 11 Ų | 11 | 75.9 Ų | 75.9 | 6% | 0.058 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 177.5 | -177.9 | 62.7 | 0 | 0 | 0 | 111.6 | R26 Y27 V30 I39 E43 L44 E50 L51 | R26-L47 HydrophobicContact CG-CB 4.18Å; R26-L47 HydrophobicContact CG-CD1 4.46Å; Y27-L47 HydrophobicContact CD2-CD1 4.39Å; V30-L47 HydrophobicContact CG2-CD1 4.46Å; V30-L47 HydrophobicContact CG2-CD2 4.43Å; I39-L47 HydrophobicContact CD1-CD2 3.89Å; I39-L47 HydrophobicContact CG2-CD2 3.99Å; E43-L47 WeakPolarHBondContact O-CB 3.35Å; E43-L47 PolarHBondContact O-N 3.41Å; L44-L47 PolarHBondContact O-N 3.36Å; L47-E50 PolarHBondContact O-N 3.23Å; L47-L51 HydrophobicContact CD1-CD1 4.35Å; L47-L51 HydrophobicContact CD1-CG 4.38Å; L47-L51 HydrophobicContact CG-CD1 4Å; L47-L51 HydrophobicContact CG-CG 4.47Å; L47-L51 WeakPolarHBondContact O-CB 3.33Å; L47-L51 VanDerWaalsContact O-CG 3.25Å; L47-L51 WeakPolarHBondContact O-CG 3.43Å; L47-L51 PolarHBondContact O-N 3.07Å |
| 48 | Q | 93.8 | Very high | 91 | Very high | 80 Ų | 80 | 72.7 Ų | 72.7 | 37% | 0.374 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 175.4 | -174.5 | -176.5 | -42.9 | 0 | 0 | 111.2 | L44 T46 E50 L51 E52 N148 | L44-Q48 WeakPolarHBondContact O-CB 3.41Å; L44-Q48 PolarHBondContact O-N 3.24Å; T46-Q48 VanDerWaalsContact C-N 3.33Å; T46-Q48 PolarHBondContact O-N 3.4Å; Q48-E50 VanDerWaalsContact C-N 3.31Å; Q48-E50 PolarHBondContact O-N 3.18Å; Q48-L51 PolarHBondContact O-N 3.17Å; Q48-E52 HydrophobicContact CG-CG 4.44Å; Q48-E52 WeakPolarHBondContact CG-OE1 3.36Å; Q48-E52 PolarHBondContact NE2-OE1 2.86Å; Q48-E52 WeakPolarHBondContact O-CB 3.36Å; Q48-E52 WeakPolarHBondContact O-CG 3.49Å; Q48-E52 PolarHBondContact O-N 3.36Å; Q48-N148 PolarHBondContact NE2-ND2 3.46Å |
| 49 | L | 93.4 | Very high | 91.3 | Very high | 113 Ų | 113 | 72.5 Ų | 72.5 | 59% | 0.592 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.8 | -39.5 | 179.4 | -177.6 | 65.1 | 0 | 0 | 0 | 112.6 | D45 T46 T53 | D45-L49 PolarHBondContact O-N 2.86Å; T46-L49 PolarHBondContact O-N 3.41Å; L49-T53 PolarHBondContact O-N 3.09Å; L49-T53 PolarHBondContact O-OG1 3.07Å |
| 50 | E | 95.4 | Very high | 91.2 | Very high | 19 Ų | 19 | 76.8 Ų | 76.8 | 9% | 0.089 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -69.1 | -41.2 | 175.9 | -70.8 | -176.4 | -167.3 | 0 | 0 | 112.1 | C24 P25 R26 Y27 T46 L47 Q48 T53 L54 | C24-E50 VanDerWaalsContact C-CD 3.49Å; C24-E50 VanDerWaalsContact CA-CD 3.42Å; C24-E50 WeakPolarHBondContact CA-OE2 3.46Å; C24-E50 HydrophobicContact CB-CB 3.97Å; C24-E50 HydrophobicContact CB-CG 4.19Å; C24-E50 WeakPolarHBondContact CB-OE2 3.38Å; P25-E50 VanDerWaalsContact CD-OE1 3.24Å; P25-E50 WeakPolarHBondContact CD-OE1 3.42Å; R26-E50 WeakPolarHBondContact CA-OE2 3.38Å; R26-E50 VanDerWaalsContact CB-OE1 3.28Å; R26-E50 WeakPolarHBondContact CB-OE1 3.4Å; R26-E50 WeakPolarHBondContact CB-OE2 3.37Å; R26-E50 VanDerWaalsContact N-CD 3.34Å; R26-E50 PolarHBondContact N-OE1 3.39Å; R26-E50 PolarHBondContact N-OE2 3.03Å; Y27-E50 WeakPolarHBondContact CB-OE2 3.44Å; Y27-E50 PolarHBondContact N-OE2 2.98Å; T46-E50 WeakPolarHBondContact O-CG 3.48Å; T46-E50 PolarHBondContact O-N 3.16Å; T46-E50 VanDerWaalsContact O-N 3.12Å; L47-E50 PolarHBondContact O-N 3.23Å; Q48-E50 VanDerWaalsContact C-N 3.31Å; Q48-E50 PolarHBondContact O-N 3.18Å; E50-T53 VanDerWaalsContact O-CB 3.31Å; E50-T53 WeakPolarHBondContact O-CB 3.47Å; E50-T53 PolarHBondContact O-N 3.47Å; E50-T53 VanDerWaalsContact O-N 3.16Å; E50-L54 WeakPolarHBondContact O-CG 3.42Å; E50-L54 PolarHBondContact O-N 2.96Å |
| 51 | L | 94.5 | Very high | 91.3 | Very high | 77 Ų | 77 | 79.3 Ų | 79.3 | 40% | 0.403 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 173.8 | -72.3 | 170.4 | 0 | 0 | 0 | 112.1 | Y27 L47 Q48 T53 L54 L55 | Y27-L51 HydrophobicContact CD2-CD2 3.66Å; Y27-L51 HydrophobicContact CD2-CG 4.49Å; Y27-L51 HydrophobicContact CE2-CD2 3.83Å; L47-L51 HydrophobicContact CD1-CD1 4.35Å; L47-L51 HydrophobicContact CD1-CG 4.38Å; L47-L51 HydrophobicContact CG-CD1 4Å; L47-L51 HydrophobicContact CG-CG 4.47Å; L47-L51 WeakPolarHBondContact O-CB 3.33Å; L47-L51 VanDerWaalsContact O-CG 3.25Å; L47-L51 WeakPolarHBondContact O-CG 3.43Å; L47-L51 PolarHBondContact O-N 3.07Å; Q48-L51 PolarHBondContact O-N 3.17Å; L51-T53 VanDerWaalsContact C-N 3.27Å; L51-T53 PolarHBondContact O-N 2.94Å; L51-L54 HydrophobicContact CD2-CD1 4.48Å; L51-L54 PolarHBondContact O-N 3.47Å; L51-L55 VanDerWaalsContact O-CB 3.28Å; L51-L55 WeakPolarHBondContact O-CB 3.37Å; L51-L55 PolarHBondContact O-N 2.84Å |
| 52 | E | 93.6 | Very high | 91.4 | Very high | 74 Ų | 74 | 76.7 Ų | 76.7 | 35% | 0.346 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.8 | -33.5 | 172.8 | -75.7 | 179.2 | -164 | 0 | 0 | 111.9 | Q48 S56 | Q48-E52 HydrophobicContact CG-CG 4.44Å; Q48-E52 WeakPolarHBondContact CG-OE1 3.36Å; Q48-E52 PolarHBondContact NE2-OE1 2.86Å; Q48-E52 WeakPolarHBondContact O-CB 3.36Å; Q48-E52 WeakPolarHBondContact O-CG 3.49Å; Q48-E52 PolarHBondContact O-N 3.36Å; E52-S56 WeakPolarHBondContact O-CB 3.45Å; E52-S56 PolarHBondContact O-N 2.95Å; E52-S56 PolarHBondContact O-OG 2.87Å |
| 53 | T | 90.9 | Very high | 91.4 | Very high | 64 Ų | 64 | 75.2 Ų | 75.2 | 39% | 0.393 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.3 | -46.3 | 174.2 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | L49 E50 L51 S56 S57 | L49-T53 PolarHBondContact O-N 3.09Å; L49-T53 PolarHBondContact O-OG1 3.07Å; E50-T53 VanDerWaalsContact O-CB 3.31Å; E50-T53 WeakPolarHBondContact O-CB 3.47Å; E50-T53 PolarHBondContact O-N 3.47Å; E50-T53 VanDerWaalsContact O-N 3.16Å; L51-T53 VanDerWaalsContact C-N 3.27Å; L51-T53 PolarHBondContact O-N 2.94Å; T53-S56 PolarHBondContact O-N 3.33Å; T53-S57 PolarHBondContact O-N 3.45Å; T53-S57 VanDerWaalsContact O-N 3.12Å |
| 54 | L | 91.9 | Very high | 91.2 | Very high | 36 Ų | 36 | 74.7 Ų | 74.7 | 19% | 0.188 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 174.5 | -66.7 | 173.6 | 0 | 0 | 0 | 111.7 | V18 H20 Y27 E50 L51 S56 S57 A58 | V18-L54 HydrophobicContact CB-CD2 3.74Å; V18-L54 HydrophobicContact CG1-CD2 3.86Å; V18-L54 HydrophobicContact CG2-CD2 4.16Å; H20-L54 HydrophobicContact CB-CD2 4.27Å; Y27-L54 HydrophobicContact CD1-CD1 3.69Å; Y27-L54 HydrophobicContact CD2-CD1 4.16Å; Y27-L54 HydrophobicContact CE1-CD1 3.67Å; Y27-L54 HydrophobicContact CE2-CD1 4.17Å; Y27-L54 HydrophobicContact CG-CD1 3.93Å; E50-L54 WeakPolarHBondContact O-CG 3.42Å; E50-L54 PolarHBondContact O-N 2.96Å; L51-L54 HydrophobicContact CD2-CD1 4.48Å; L51-L54 PolarHBondContact O-N 3.47Å; L54-S56 PolarHBondContact O-N 3.2Å; L54-S57 PolarHBondContact O-N 2.98Å; L54-A58 PolarHBondContact O-N 3.4Å |
| 55 | L | 92.6 | Very high | 91 | Very high | 109 Ų | 109 | 74.9 Ų | 74.9 | 57% | 0.571 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.7 | -40.4 | 177.3 | 179 | 60.9 | 0 | 0 | 0 | 112.2 | L51 S57 A58 S59 | L51-L55 VanDerWaalsContact O-CB 3.28Å; L51-L55 WeakPolarHBondContact O-CB 3.37Å; L51-L55 PolarHBondContact O-N 2.84Å; L55-S57 VanDerWaalsContact C-N 3.34Å; L55-S57 PolarHBondContact O-N 2.99Å; L55-A58 PolarHBondContact O-N 2.7Å; L55-S59 VanDerWaalsContact O-CB 3.25Å; L55-S59 WeakPolarHBondContact O-CB 3.27Å; L55-S59 PolarHBondContact O-N 3.37Å; L55-S59 PolarHBondContact O-OG 2.93Å |
| 56 | S | 90.9 | Very high | 91 | Very high | 71 Ų | 71 | 72.2 Ų | 72.2 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 176.3 | -67.8 | 0 | 0 | 0 | 0 | 112.1 | E52 T53 L54 R60 | E52-S56 WeakPolarHBondContact O-CB 3.45Å; E52-S56 PolarHBondContact O-N 2.95Å; E52-S56 PolarHBondContact O-OG 2.87Å; T53-S56 PolarHBondContact O-N 3.33Å; L54-S56 PolarHBondContact O-N 3.2Å; S56-R60 WeakPolarHBondContact O-CB 3.33Å; S56-R60 PolarHBondContact O-N 3.09Å; S56-R60 VanDerWaalsContact O-N 3.14Å |
| 57 | S | 88.8 | Confident | 90.8 | Very high | 29 Ų | 29 | 73.7 Ų | 73.7 | 20% | 0.203 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.8 | -47.7 | 173.4 | -179.7 | 0 | 0 | 0 | 0 | 112 | V18 T53 L54 L55 S59 R60 R61 | V18-S57 WeakPolarHBondContact CG2-OG 3.35Å; T53-S57 PolarHBondContact O-N 3.45Å; T53-S57 VanDerWaalsContact O-N 3.12Å; L54-S57 PolarHBondContact O-N 2.98Å; L55-S57 VanDerWaalsContact C-N 3.34Å; L55-S57 PolarHBondContact O-N 2.99Å; S57-S59 PolarHBondContact O-N 3.39Å; S57-R60 PolarHBondContact O-N 2.92Å; S57-R61 WeakPolarHBondContact O-CG 3.48Å; S57-R61 PolarHBondContact O-N 3.31Å; S57-R61 VanDerWaalsContact O-N 3.1Å |
| 58 | A | 89.4 | Confident | 90.5 | Very high | 40 Ų | 40 | 73.9 Ų | 73.9 | 33% | 0.331 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L54 L55 R60 R61 L62 | L54-A58 PolarHBondContact O-N 3.4Å; L55-A58 PolarHBondContact O-N 2.7Å; A58-R60 VanDerWaalsContact C-N 3.31Å; A58-R60 PolarHBondContact O-N 3.1Å; A58-R61 PolarHBondContact O-N 3.36Å; A58-L62 PolarHBondContact O-N 2.81Å |
| 59 | S | 90.1 | Very high | 90.1 | Very high | 35 Ų | 35 | 77 Ų | 77 | 25% | 0.245 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.4 | -34.7 | 177.4 | -59.5 | 0 | 0 | 0 | 0 | 113.1 | L55 S57 R63 | L55-S59 VanDerWaalsContact O-CB 3.25Å; L55-S59 WeakPolarHBondContact O-CB 3.27Å; L55-S59 PolarHBondContact O-N 3.37Å; L55-S59 PolarHBondContact O-OG 2.93Å; S57-S59 PolarHBondContact O-N 3.39Å; S59-R63 WeakPolarHBondContact O-CG 3.45Å; S59-R63 PolarHBondContact O-N 3.03Å |
| 60 | R | 86.6 | Confident | 89.9 | Confident | 184 Ų | 184 | 76.3 Ų | 76.3 | 69% | 0.694 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -67.2 | -42.4 | 174.9 | -171 | -174.3 | -58.6 | -112.2 | 2 | 111.4 | S56 S57 A58 A64 | S56-R60 WeakPolarHBondContact O-CB 3.33Å; S56-R60 PolarHBondContact O-N 3.09Å; S56-R60 VanDerWaalsContact O-N 3.14Å; S57-R60 PolarHBondContact O-N 2.92Å; A58-R60 VanDerWaalsContact C-N 3.31Å; A58-R60 PolarHBondContact O-N 3.1Å; R60-A64 PolarHBondContact O-N 3.21Å |
| 61 | R | 88.6 | Confident | 89.4 | Confident | 85 Ų | 85 | 77.4 Ų | 77.4 | 32% | 0.321 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 176.4 | -64.4 | -173.8 | -75 | 156.4 | 1.7 | 111.7 | F15 S57 A58 A64 L65 | F15-R61 HydrophobicContact CD1-CB 3.9Å; F15-R61 HydrophobicContact CD1-CG 3.5Å; F15-R61 HydrophobicContact CE1-CB 3.87Å; F15-R61 HydrophobicContact CE1-CG 3.89Å; F15-R61 HydrophobicContact CG-CG 4.28Å; S57-R61 WeakPolarHBondContact O-CG 3.48Å; S57-R61 PolarHBondContact O-N 3.31Å; S57-R61 VanDerWaalsContact O-N 3.1Å; A58-R61 PolarHBondContact O-N 3.36Å; R61-A64 PolarHBondContact O-N 3.22Å; R61-L65 PolarHBondContact O-N 2.88Å |
| 62 | L | 90.7 | Very high | 88.9 | Confident | 95 Ų | 95 | 77.2 Ų | 77.2 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.2 | -53.6 | 175.4 | -178.1 | 61.4 | 0 | 0 | 0 | 111.1 | A58 A64 L65 E66 | A58-L62 PolarHBondContact O-N 2.81Å; L62-A64 VanDerWaalsContact C-N 3.29Å; L62-A64 PolarHBondContact O-N 2.87Å; L62-L65 WeakPolarHBondContact O-CB 3.48Å; L62-L65 PolarHBondContact O-N 3.4Å; L62-E66 HydrophobicContact CD1-CG 4.23Å; L62-E66 HydrophobicContact CG-CG 4.37Å; L62-E66 WeakPolarHBondContact O-CG 3.49Å; L62-E66 PolarHBondContact O-N 3.22Å |
| 63 | R | 89.1 | Confident | 88.5 | Confident | 155 Ų | 155 | 76.4 Ų | 76.4 | 59% | 0.585 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -57.8 | -38.7 | 178.3 | -73.9 | -171.7 | -65.3 | -101.9 | 3.3 | 113.3 | S59 E66 E67 | S59-R63 WeakPolarHBondContact O-CG 3.45Å; S59-R63 PolarHBondContact O-N 3.03Å; R63-E66 PolarHBondContact O-N 2.88Å; R63-E67 PolarHBondContact O-N 2.68Å |
| 64 | A | 86.1 | Confident | 88.1 | Confident | 13 Ų | 13 | 76.6 Ų | 76.6 | 11% | 0.107 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y13 F15 R60 R61 L62 E67 Q68 | Y13-A64 HydrophobicContact CD1-CB 4.29Å; Y13-A64 HydrophobicContact CD2-CB 4.33Å; Y13-A64 HydrophobicContact CE1-CB 4.02Å; Y13-A64 HydrophobicContact CE2-CB 4.09Å; Y13-A64 HydrophobicContact CG-CB 4.44Å; F15-A64 HydrophobicContact CE1-CB 4.16Å; F15-A64 HydrophobicContact CZ-CB 4.18Å; R60-A64 PolarHBondContact O-N 3.21Å; R61-A64 PolarHBondContact O-N 3.22Å; L62-A64 VanDerWaalsContact C-N 3.29Å; L62-A64 PolarHBondContact O-N 2.87Å; A64-E67 PolarHBondContact O-N 3.47Å; A64-Q68 WeakPolarHBondContact O-CG 3.32Å; A64-Q68 PolarHBondContact O-N 3.13Å; A64-Q68 VanDerWaalsContact O-N 3.17Å |
| 65 | L | 87.9 | Confident | 87.6 | Confident | 93 Ų | 93 | 78.6 Ų | 78.6 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66 | -38.4 | 173.5 | -76.3 | 170.7 | 0 | 0 | 0 | 112.4 | F15 R61 L62 Q68 R69 | F15-L65 HydrophobicContact CE2-CD1 4.14Å; F15-L65 HydrophobicContact CE2-CD2 3.67Å; F15-L65 HydrophobicContact CE2-CG 3.73Å; F15-L65 HydrophobicContact CZ-CD1 4.43Å; F15-L65 HydrophobicContact CZ-CD2 4.08Å; F15-L65 HydrophobicContact CZ-CG 3.77Å; R61-L65 PolarHBondContact O-N 2.88Å; L62-L65 WeakPolarHBondContact O-CB 3.48Å; L62-L65 PolarHBondContact O-N 3.4Å; L65-Q68 PolarHBondContact O-N 2.84Å; L65-R69 WeakPolarHBondContact O-CB 3.27Å; L65-R69 PolarHBondContact O-N 3.37Å |
| 66 | E | 90.2 | Very high | 86.8 | Confident | 73 Ų | 73 | 80 Ų | 80 | 34% | 0.341 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 176.7 | -67.6 | -175.4 | 125.3 | 0 | 0 | 112.3 | L62 R63 R69 Q70 | L62-E66 HydrophobicContact CD1-CG 4.23Å; L62-E66 HydrophobicContact CG-CG 4.37Å; L62-E66 WeakPolarHBondContact O-CG 3.49Å; L62-E66 PolarHBondContact O-N 3.22Å; R63-E66 PolarHBondContact O-N 2.88Å; E66-R69 PolarHBondContact O-N 2.68Å; E66-R69 IonicContact OE1-NH2 3.31Å; E66-R69 PolarHBondContact OE1-NH2 2.72Å; E66-Q70 WeakPolarHBondContact O-CB 3.32Å; E66-Q70 PolarHBondContact O-N 3.35Å |
| 67 | E | 88.4 | Confident | 86 | Confident | 92 Ų | 92 | 81.9 Ų | 81.9 | 43% | 0.43 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 170.2 | -172.6 | -170.8 | 153.7 | 0 | 0 | 110.8 | K11 R63 A64 Q70 I71 | K11-E67 IonicContact NZ-OE1 3.45Å; K11-E67 PolarHBondContact NZ-OE1 2.72Å; R63-E67 PolarHBondContact O-N 2.68Å; A64-E67 PolarHBondContact O-N 3.47Å; E67-Q70 PolarHBondContact O-N 3.29Å; E67-I71 HydrophobicContact CG-CD1 4.35Å; E67-I71 WeakPolarHBondContact O-CG1 3.35Å; E67-I71 PolarHBondContact O-N 3.22Å |
| 68 | Q | 87.3 | Confident | 85.1 | Confident | 15 Ų | 15 | 88 Ų | 88 | 7% | 0.07 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.3 | -37 | 177.7 | -62.2 | -37.8 | -76.6 | 0 | 0 | 112.8 | L10 Y13 A64 L65 I71 L72 | L10-Q68 HydrophobicContact CD2-CB 4.06Å; Y13-Q68 HydrophobicContact CD2-CG 4.27Å; Y13-Q68 HydrophobicContact CE2-CG 3.82Å; A64-Q68 WeakPolarHBondContact O-CG 3.32Å; A64-Q68 PolarHBondContact O-N 3.13Å; A64-Q68 VanDerWaalsContact O-N 3.17Å; L65-Q68 PolarHBondContact O-N 2.84Å; Q68-I71 PolarHBondContact O-N 3.37Å; Q68-L72 PolarHBondContact O-N 2.81Å; Q68-L72 VanDerWaalsContact O-N 3.12Å |
| 69 | R | 86.7 | Confident | 83.8 | Confident | 145 Ų | 145 | 92 Ų | 92 | 55% | 0.547 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 173.8 | -175.1 | -176.9 | 66.4 | -155.3 | -7.1 | 110.9 | L65 E66 L72 T73 | L65-R69 WeakPolarHBondContact O-CB 3.27Å; L65-R69 PolarHBondContact O-N 3.37Å; E66-R69 PolarHBondContact O-N 2.68Å; E66-R69 IonicContact OE1-NH2 3.31Å; E66-R69 PolarHBondContact OE1-NH2 2.72Å; R69-L72 WeakPolarHBondContact O-CB 3.4Å; R69-L72 PolarHBondContact O-N 2.79Å; R69-T73 PolarHBondContact O-N 3.4Å; R69-T73 PolarHBondContact O-OG1 3.01Å |
| 70 | Q | 87.6 | Confident | 82.1 | Confident | 98 Ų | 98 | 93.4 Ų | 93.4 | 46% | 0.458 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 177.5 | -168 | 63.2 | 49.1 | 0 | 0 | 111.8 | E66 E67 L72 T73 D74 | E66-Q70 WeakPolarHBondContact O-CB 3.32Å; E66-Q70 PolarHBondContact O-N 3.35Å; E67-Q70 PolarHBondContact O-N 3.29Å; Q70-L72 PolarHBondContact O-N 3Å; Q70-T73 PolarHBondContact O-N 2.96Å; Q70-D74 PolarHBondContact NE2-OD1 3.27Å; Q70-D74 WeakPolarHBondContact O-CB 3.47Å; Q70-D74 PolarHBondContact O-N 2.88Å |
| 71 | I | 86.1 | Confident | 80.5 | Confident | 43 Ų | 43 | 89.1 Ų | 89.1 | 22% | 0.221 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58.1 | -37.2 | 173.9 | -69.8 | 164.6 | 0 | 0 | 0 | 111.4 | P9 E67 Q68 W75 | P9-I71 HydrophobicContact CG-CG2 4.47Å; E67-I71 HydrophobicContact CG-CD1 4.35Å; E67-I71 WeakPolarHBondContact O-CG1 3.35Å; E67-I71 PolarHBondContact O-N 3.22Å; Q68-I71 PolarHBondContact O-N 3.37Å; I71-W75 WeakPolarHBondContact O-CB 3.47Å; I71-W75 PolarHBondContact O-N 3.15Å |
| 72 | L | 82.9 | Confident | 78.7 | Confident | 73 Ų | 73 | 93.8 Ų | 93.8 | 38% | 0.382 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.8 | -44.4 | 175.1 | -75.7 | 165.8 | 0 | 0 | 0 | 112.9 | P8 L10 Q68 R69 Q70 W75 Q76 | P8-L72 HydrophobicContact CB-CD2 4.18Å; P8-L72 HydrophobicContact CG-CD2 3.68Å; L10-L72 HydrophobicContact CD1-CD1 4.46Å; L10-L72 HydrophobicContact CD1-CD2 4.25Å; L10-L72 HydrophobicContact CD2-CD1 4.25Å; L10-L72 HydrophobicContact CD2-CD2 4.36Å; L10-L72 HydrophobicContact CD2-CG 4Å; Q68-L72 PolarHBondContact O-N 2.81Å; Q68-L72 VanDerWaalsContact O-N 3.12Å; R69-L72 WeakPolarHBondContact O-CB 3.4Å; R69-L72 PolarHBondContact O-N 2.79Å; Q70-L72 PolarHBondContact O-N 3Å; L72-W75 PolarHBondContact O-N 3.37Å; L72-Q76 WeakPolarHBondContact O-CB 3.45Å; L72-Q76 PolarHBondContact O-N 3.35Å |
| 73 | T | 84.7 | Confident | 76.7 | Confident | 57 Ų | 57 | 99 Ų | 99 | 35% | 0.35 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.6 | -52.5 | 175.9 | -56.7 | 0 | 0 | 0 | 0 | 111 | R69 Q70 W75 Q76 D77 | R69-T73 PolarHBondContact O-N 3.4Å; R69-T73 PolarHBondContact O-OG1 3.01Å; Q70-T73 PolarHBondContact O-N 2.96Å; T73-W75 PolarHBondContact O-N 3.26Å; T73-Q76 WeakPolarHBondContact O-CB 3.39Å; T73-Q76 PolarHBondContact O-N 3.27Å; T73-Q76 VanDerWaalsContact O-N 3.1Å; T73-D77 PolarHBondContact O-N 3.2Å |
| 74 | D | 82.6 | Confident | 74.3 | Confident | 67 Ų | 67 | 100.4 Ų | 100.4 | 36% | 0.358 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.4 | -34.5 | 177.9 | -71.2 | 10.6 | 0 | 0 | 0 | 112.5 | Q70 K78 | Q70-D74 PolarHBondContact NE2-OD1 3.27Å; Q70-D74 WeakPolarHBondContact O-CB 3.47Å; Q70-D74 PolarHBondContact O-N 2.88Å; D74-K78 WeakPolarHBondContact O-CB 3.41Å; D74-K78 WeakPolarHBondContact O-CD 3.45Å; D74-K78 VanDerWaalsContact O-CG 3.23Å; D74-K78 WeakPolarHBondContact O-CG 3.37Å; D74-K78 PolarHBondContact O-N 3.32Å |
| 75 | W | 81.5 | Confident | 72.1 | Confident | 79 Ų | 79 | 108.1 Ų | 108.1 | 30% | 0.299 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -75.3 | -38.1 | 177.5 | -176 | 86.9 | 0 | 0 | 0 | 112.3 | D6 P8 I71 L72 T73 K78 K79 | D6-W75 WeakPolarHBondContact O-CZ2 3.31Å; P8-W75 HydrophobicContact CB-CB 4.17Å; P8-W75 HydrophobicContact CB-CD2 4.01Å; P8-W75 HydrophobicContact CB-CG 3.82Å; P8-W75 HydrophobicContact CG-CD2 4.27Å; P8-W75 HydrophobicContact CG-CE3 4.37Å; I71-W75 WeakPolarHBondContact O-CB 3.47Å; I71-W75 PolarHBondContact O-N 3.15Å; L72-W75 PolarHBondContact O-N 3.37Å; T73-W75 PolarHBondContact O-N 3.26Å; W75-K78 PolarHBondContact O-N 2.85Å; W75-K79 HydrophobicContact CH2-CD 3.68Å; W75-K79 HydrophobicContact CZ2-CD 4.15Å; W75-K79 HydrophobicContact CZ3-CD 3.95Å; W75-K79 WeakPolarHBondContact O-CB 3.28Å; W75-K79 PolarHBondContact O-N 3.44Å |
| 76 | Q | 76.2 | Confident | 69.6 | Low | 137 Ų | 137 | 112.9 Ų | 112.9 | 64% | 0.64 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.4 | -45.8 | 174.6 | -177.9 | 171.7 | 1.4 | 0 | 0 | 111.1 | L72 T73 K78 K79 G80 | L72-Q76 WeakPolarHBondContact O-CB 3.45Å; L72-Q76 PolarHBondContact O-N 3.35Å; T73-Q76 WeakPolarHBondContact O-CB 3.39Å; T73-Q76 PolarHBondContact O-N 3.27Å; T73-Q76 VanDerWaalsContact O-N 3.1Å; Q76-K78 PolarHBondContact O-N 3.32Å; Q76-K79 WeakPolarHBondContact O-CB 3.43Å; Q76-K79 PolarHBondContact O-N 3.19Å; Q76-K79 VanDerWaalsContact O-N 3.11Å; Q76-G80 PolarHBondContact O-N 2.8Å |
| 77 | D | 75.3 | Confident | 67.4 | Low | 111 Ų | 111 | 115.7 Ų | 115.7 | 59% | 0.594 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.2 | -44 | 177.1 | -69.3 | -20 | 0 | 0 | 0 | 111.5 | T73 K79 G80 D81 | T73-D77 PolarHBondContact O-N 3.2Å; D77-K79 VanDerWaalsContact C-N 3.26Å; D77-K79 PolarHBondContact O-N 2.81Å; D77-G80 PolarHBondContact O-N 2.89Å; D77-G80 VanDerWaalsContact O-N 3.08Å; D77-D81 PolarHBondContact O-N 3.1Å |
| 78 | K | 68.4 | Low | 64.7 | Low | 157 Ų | 157 | 116.9 Ų | 116.9 | 68% | 0.683 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.5 | -29.2 | 173.6 | -76.8 | 168.2 | -176.9 | 160.1 | 0 | 113.6 | D74 W75 Q76 G80 | D74-K78 WeakPolarHBondContact O-CB 3.41Å; D74-K78 WeakPolarHBondContact O-CD 3.45Å; D74-K78 VanDerWaalsContact O-CG 3.23Å; D74-K78 WeakPolarHBondContact O-CG 3.37Å; D74-K78 PolarHBondContact O-N 3.32Å; W75-K78 PolarHBondContact O-N 2.85Å; Q76-K78 PolarHBondContact O-N 3.32Å; K78-G80 VanDerWaalsContact C-N 3.31Å |
| 79 | K | 63.1 | Low | 62.4 | Low | 126 Ų | 126 | 125.5 Ų | 125.5 | 55% | 0.548 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -75.6 | -21.7 | 175.7 | -151.5 | -175.5 | -167.5 | -178.1 | 0 | 112.6 | W75 Q76 D77 | W75-K79 HydrophobicContact CH2-CD 3.68Å; W75-K79 HydrophobicContact CZ2-CD 4.15Å; W75-K79 HydrophobicContact CZ3-CD 3.95Å; W75-K79 WeakPolarHBondContact O-CB 3.28Å; W75-K79 PolarHBondContact O-N 3.44Å; Q76-K79 WeakPolarHBondContact O-CB 3.43Å; Q76-K79 PolarHBondContact O-N 3.19Å; Q76-K79 VanDerWaalsContact O-N 3.11Å; D77-K79 VanDerWaalsContact C-N 3.26Å; D77-K79 PolarHBondContact O-N 2.81Å |
| 80 | G | 53.7 | Low | 60.3 | Low | 64 Ų | 64 | 126.1 Ų | 126.1 | 66% | 0.66 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73.1 | -37.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q76 D77 K78 K82 | Q76-G80 PolarHBondContact O-N 2.8Å; D77-G80 PolarHBondContact O-N 2.89Å; D77-G80 VanDerWaalsContact O-N 3.08Å; K78-G80 VanDerWaalsContact C-N 3.31Å; G80-K82 VanDerWaalsContact C-N 3.35Å; G80-K82 PolarHBondContact O-N 2.99Å |
| 81 | D | 52.6 | Low | 57.9 | Low | 93 Ų | 93 | 127.3 Ų | 127.3 | 50% | 0.497 | 64% | 0.644 | S | S | . | * | trans | -86.8 | 67 | -175.2 | -161.6 | 13.7 | 0 | 0 | 0 | 113.6 | D77 R83 | D77-D81 PolarHBondContact O-N 3.1Å; D81-R83 PolarHBondContact O-N 2.77Å | ||
| 82 | K | 52 | Low | 55.4 | Low | 184 Ų | 184 | 132.7 Ų | 132.7 | 80% | 0.8 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 41.5 | 176.3 | -70.2 | -171.5 | 175.2 | -178.4 | 0 | 114.3 | G80 | G80-K82 VanDerWaalsContact C-N 3.35Å; G80-K82 PolarHBondContact O-N 2.99Å |
| 83 | R | 47.6 | Very low | 53.4 | Low | 204 Ų | 204 | 134.9 Ų | 134.9 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | 2.3 | 177.3 | -75.6 | -168.1 | -65.8 | -173.4 | -2.8 | 116.5 | D81 | D81-R83 PolarHBondContact O-N 2.77Š|
| 84 | F | 38.6 | Very low | 51.3 | Low | 185 Ų | 185 | 136.9 Ų | 136.9 | 81% | 0.811 | 72% | 0.715 | S | S | * | * | trans | -130.2 | 70.3 | 171.9 | -76.8 | -79 | 0 | 0 | 0 | 113.9 | ||||
| 85 | L | 40.4 | Very low | 48.9 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 91% | 0.911 | 73% | 0.734 | S | S | * | * | trans | -91.2 | 97.7 | 158.3 | -70.6 | 177.6 | 0 | 0 | 0 | 110.2 | ||||
| 86 | K | 34.7 | Very low | 46.9 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -130.3 | 121.5 | 153.8 | -92.7 | -171.1 | 175.3 | 179.5 | 0 | 108.9 | S88 | K86-S88 PolarHBondContact O-N 2.7Š| ||
| 87 | P | 45 | Very low | 44.9 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | trans | -79.2 | 113.6 | 179.6 | 30.5 | -32.2 | 0 | 0 | 0 | 110.4 | ||||
| 88 | S | 31.8 | Very low | 43.1 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -113.8 | 87.9 | 169 | -78.7 | 0 | 0 | 0 | 0 | 110.6 | K86 | K86-S88 PolarHBondContact O-N 2.7Š| ||
| 89 | K | 39 | Very low | 41.4 | Very low | 197 Ų | 197 | 147 Ų | 147 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | 28.2 | 121 | 135.6 | -157.9 | 167.1 | -175 | 174.4 | 0 | 117.8 | ||||
| 90 | D | 41.8 | Very low | 39.9 | Very low | 158 Ų | 158 | 150.2 Ų | 150.2 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -53.4 | 151.3 | 174.1 | -50.1 | -84.6 | 0 | 0 | 0 | 114 | ||||
| 91 | P | 37.1 | Very low | 39 | Very low | 122 Ų | 122 | 153.4 Ų | 153.4 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -127.6 | 140.7 | 142.8 | 34.8 | -23.7 | 0 | 0 | 0 | 113.4 | ||||
| 92 | D | 34.4 | Very low | 38 | Very low | 156 Ų | 156 | 158.6 Ų | 158.6 | 83% | 0.834 | 83% | 0.829 | S | S | * | * | trans | -61.6 | 159 | 172.5 | -120.4 | -18.9 | 0 | 0 | 0 | 112.9 | A94 | D92-A94 PolarHBondContact O-N 3.46Š| ||
| 93 | P | 41.6 | Very low | 37.3 | Very low | 120 Ų | 120 | 159.4 Ų | 159.4 | 78% | 0.779 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -91.1 | 89.1 | -169 | 35.6 | -33.3 | 0 | 0 | 0 | 113.6 | ||
| 94 | A | 40.2 | Very low | 36.8 | Very low | 99 Ų | 99 | 159.2 Ų | 159.2 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | trans | -160.5 | 83.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | D92 | D92-A94 PolarHBondContact O-N 3.46Š| ||
| 95 | A | 31.9 | Very low | 36.5 | Very low | 93 Ų | 93 | 158.5 Ų | 158.5 | 77% | 0.769 | 84% | 0.836 | S | S | * | * | trans | 180 | 141.9 | 147.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 96 | P | 39.9 | Very low | 36.3 | Very low | 131 Ų | 131 | 158.1 Ų | 158.1 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | trans | -93.2 | 133.5 | 173.5 | 34.8 | -31.1 | 0 | 0 | 0 | 112.4 | ||||
| 97 | V | 34.1 | Very low | 36.2 | Very low | 126 Ų | 126 | 155.2 Ų | 155.2 | 76% | 0.764 | 83% | 0.828 | S | S | * | * | trans | -131.1 | 125.2 | 170.1 | -177.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 98 | R | 36.6 | Very low | 35.6 | Very low | 233 Ų | 233 | 152.5 Ų | 152.5 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | trans | -78.9 | 145.7 | 177 | -60.5 | 169.1 | 167 | -170.5 | -5.3 | 111.3 | ||||
| 99 | H | 32.7 | Very low | 35.9 | Very low | 181 Ų | 181 | 157.5 Ų | 157.5 | 84% | 0.838 | 83% | 0.831 | S | S | * | * | trans | -139 | 160.7 | 153.9 | -90.9 | -73.9 | 0 | 0 | 0 | 113.8 | ||||
| 100 | K | 31.8 | Very low | 35.4 | Very low | 192 Ų | 192 | 152.1 Ų | 152.1 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | -96 | 154.6 | -155.3 | -62.3 | 171 | 176.6 | 174.6 | 0 | 113.5 | ||||
| 101 | P | 34.7 | Very low | 34.8 | Very low | 131 Ų | 131 | 147.9 Ų | 147.9 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | trans | -77.3 | 144.9 | 171.1 | 32.6 | -34.5 | 0 | 0 | 0 | 112.2 | ||||
| 102 | K | 32.8 | Very low | 34.6 | Very low | 203 Ų | 203 | 151.9 Ų | 151.9 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | trans | -107.6 | 118.8 | 178 | -166.2 | 173.1 | -177.8 | -179.7 | 0 | 109.9 | ||||
| 103 | K | 37.4 | Very low | 34.5 | Very low | 201 Ų | 201 | 147.5 Ų | 147.5 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | trans | -73.7 | 148.7 | 175 | -74.5 | -178.3 | 173.1 | -179.2 | 0 | 111.2 | ||||
| 104 | Q | 36.3 | Very low | 34.4 | Very low | 199 Ų | 199 | 148.3 Ų | 148.3 | 93% | 0.93 | 83% | 0.83 | S | S | * | * | trans | -139.9 | 167.7 | 155.3 | -131.5 | 164.2 | -19.1 | 0 | 0 | 110.8 | ||||
| 105 | K | 31.6 | Very low | 34 | Very low | 170 Ų | 170 | 146.9 Ų | 146.9 | 74% | 0.739 | 82% | 0.824 | S | S | * | * | trans | -109.2 | 157.9 | -141.2 | -167.9 | -169 | 172.4 | -135.7 | 0 | 113.9 | D107 | K105-D107 WeakPolarHBondContact CE-OD2 3.43Å; K105-D107 IonicContact NZ-OD1 3.33Å; K105-D107 PolarHBondContact NZ-OD1 3.04Å; K105-D107 IonicContact NZ-OD2 2.72Å; K105-D107 PolarHBondContact NZ-OD2 3.38Å | ||
| 106 | L | 36.1 | Very low | 34.8 | Very low | 167 Ų | 167 | 148.8 Ų | 148.8 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | trans | -99.3 | 132.8 | 173.1 | -113.9 | 131 | 0 | 0 | 0 | 111.8 | ||||
| 107 | D | 32.7 | Very low | 34.4 | Very low | 131 Ų | 131 | 146.1 Ų | 146.1 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | trans | -165 | 147.9 | 165.7 | -63.6 | -72 | 0 | 0 | 0 | 106.8 | K105 | K105-D107 WeakPolarHBondContact CE-OD2 3.43Å; K105-D107 IonicContact NZ-OD1 3.33Å; K105-D107 PolarHBondContact NZ-OD1 3.04Å; K105-D107 IonicContact NZ-OD2 2.72Å; K105-D107 PolarHBondContact NZ-OD2 3.38Å | ||
| 108 | G | 32.5 | Very low | 34.9 | Very low | 75 Ų | 75 | 146.7 Ų | 146.7 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | cis | 176.7 | 70 | -9.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 109 | K | 37.8 | Very low | 34.7 | Very low | 223 Ų | 223 | 139.5 Ų | 139.5 | 97% | 0.97 | 83% | 0.83 | S | S | * | * | trans | 81.9 | 133.7 | 147.8 | -153.8 | -179.6 | -171.8 | -178.9 | 0 | 122.9 | ||||
| 110 | G | 29.9 | Very low | 34.9 | Very low | 84 Ų | 84 | 142.2 Ų | 142.2 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | trans | 99.1 | 138 | 150.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 111 | G | 29 | Very low | 35.3 | Very low | 68 Ų | 68 | 138.9 Ų | 138.9 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | cis | 179.3 | -177.4 | -3.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 112 | H | 32.8 | Very low | 35.5 | Very low | 206 Ų | 206 | 142.4 Ų | 142.4 | 95% | 0.954 | 83% | 0.832 | S | S | * | * | trans | 79.9 | 130.6 | 175.9 | -60.3 | -77 | 0 | 0 | 0 | 120.2 | ||||
| 113 | G | 32.8 | Very low | 35.7 | Very low | 65 Ų | 65 | 138.2 Ų | 138.2 | 67% | 0.67 | 83% | 0.829 | S | S | * | * | trans | -136.2 | -172.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 114 | P | 39 | Very low | 35.6 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | trans | -138.3 | 157.9 | 131.4 | 36.3 | -24.1 | 0 | 0 | 0 | 113.8 | ||||
| 115 | G | 31 | Very low | 35.3 | Very low | 68 Ų | 68 | 135.1 Ų | 135.1 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | trans | -110.3 | -147.9 | 162 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 116 | P | 49.7 | Very low | 35.4 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | cis | -142.1 | 161.7 | -15 | 40.4 | -22.9 | 0 | 0 | 0 | 117 | ||||
| 117 | G | 31.9 | Very low | 35.3 | Very low | 75 Ų | 75 | 134.4 Ų | 134.4 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | 81.5 | 175.2 | 152.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 118 | P | 44.8 | Very low | 35.6 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 90% | 0.903 | 82% | 0.822 | S | S | * | * | cis | -108.2 | 179 | -6.2 | 40.3 | -29.2 | 0 | 0 | 0 | 112.2 | ||||
| 119 | G | 31.7 | Very low | 35.6 | Very low | 81 Ų | 81 | 140.1 Ų | 140.1 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | cis | 141.7 | 89.8 | -1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 120 | R | 36.5 | Very low | 35.6 | Very low | 238 Ų | 238 | 135.5 Ų | 135.5 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | trans | -141.1 | 135.6 | 168.3 | -162.8 | 172.9 | -175.9 | -161.8 | -0.3 | 110.4 | ||||
| 121 | P | 40.8 | Very low | 35.8 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 138.7 | -162.1 | 29.4 | -35.9 | 0 | 0 | 0 | 114.5 | ||
| 122 | K | 38.2 | Very low | 35.8 | Very low | 205 Ų | 205 | 145.7 Ų | 145.7 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 119.6 | 165.9 | -69.6 | -174 | 176.3 | -176.2 | 0 | 110 | K124 | K122-K124 PolarHBondContact O-N 2.98Š|
| 123 | S | 37.1 | Very low | 35.7 | Very low | 115 Ų | 115 | 146 Ų | 146 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 118.8 | 172.4 | 48.9 | 0 | 0 | 0 | 0 | 111 | N125 | S123-N125 PolarHBondContact O-N 3.32Š|
| 124 | K | 35.6 | Very low | 35.7 | Very low | 191 Ų | 191 | 151.2 Ų | 151.2 | 83% | 0.83 | 83% | 0.826 | S | S | * | * | trans | -72.4 | 104.6 | 167.1 | -73.2 | -177.5 | 177.7 | 179.6 | 0 | 108.9 | K122 L126 | K122-K124 PolarHBondContact O-N 2.98Å; K124-L126 PolarHBondContact O-N 3.3Å | ||
| 125 | N | 30 | Very low | 35.3 | Very low | 145 Ų | 145 | 152.9 Ų | 152.9 | 78% | 0.775 | 82% | 0.819 | S | S | * | * | trans | -79 | 100.5 | 171 | -144.2 | 28.5 | 0 | 0 | 0 | 108.3 | S123 Q127 | S123-N125 PolarHBondContact O-N 3.32Å; N125-Q127 PolarHBondContact O-N 3.4Å | ||
| 126 | L | 34.1 | Very low | 35.9 | Very low | 156 Ų | 156 | 155.8 Ų | 155.8 | 82% | 0.817 | 82% | 0.824 | S | S | * | * | trans | -73.9 | 103.8 | 167.4 | -79.8 | 92.1 | 0 | 0 | 0 | 108 | K124 | K124-L126 PolarHBondContact O-N 3.3Š| ||
| 127 | Q | 34.2 | Very low | 35.4 | Very low | 166 Ų | 166 | 156.2 Ų | 156.2 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -75.9 | 138.8 | 158.8 | -76 | -162.8 | -25.7 | 0 | 0 | 109.6 | N125 K129 | N125-Q127 PolarHBondContact O-N 3.4Å; Q127-K129 PolarHBondContact O-N 3.49Å | ||
| 128 | P | 38.1 | Very low | 35.8 | Very low | 119 Ų | 119 | 159.4 Ų | 159.4 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -59.9 | 132.8 | 171.2 | -21.1 | 33.1 | 0 | 0 | 0 | 110.2 | V130 | P128-V130 PolarHBondContact O-N 2.94Š| ||
| 129 | K | 33.3 | Very low | 35.9 | Very low | 207 Ų | 207 | 158.5 Ų | 158.5 | 90% | 0.9 | 81% | 0.812 | S | S | * | * | trans | -71.4 | 95.5 | 179.2 | -168.2 | 170.6 | -176.2 | 177.6 | 0 | 109.2 | Q127 Q131 | Q127-K129 PolarHBondContact O-N 3.49Å; K129-Q131 PolarHBondContact O-N 3.22Å | ||
| 130 | V | 36.7 | Very low | 36.6 | Very low | 125 Ų | 125 | 162.6 Ų | 162.6 | 76% | 0.758 | 81% | 0.81 | S | S | * | * | trans | -64.5 | 128.3 | 164.9 | -179.6 | 0 | 0 | 0 | 0 | 107 | P128 E132 | P128-V130 PolarHBondContact O-N 2.94Å; V130-E132 PolarHBondContact O-N 3.09Å; V130-E132 VanDerWaalsContact O-N 3.1Å | ||
| 131 | Q | 34.2 | Very low | 37.6 | Very low | 188 Ų | 188 | 158.9 Ų | 158.9 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | -84 | 83.4 | -178 | -171.8 | 169.4 | -3.6 | 0 | 0 | 108.1 | K129 Y133 | K129-Q131 PolarHBondContact O-N 3.22Å; Q131-Y133 PolarHBondContact O-N 3.46Å | ||
| 132 | E | 30.1 | Very low | 38.1 | Very low | 179 Ų | 179 | 159.1 Ų | 159.1 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | -61.4 | 129.2 | 170.8 | -79.3 | -179 | 147.2 | 0 | 0 | 109.6 | V130 E134 | V130-E132 PolarHBondContact O-N 3.09Å; V130-E132 VanDerWaalsContact O-N 3.1Å; E132-E134 PolarHBondContact O-N 2.86Å | ||
| 133 | Y | 30.9 | Very low | 38.9 | Very low | 212 Ų | 212 | 154.6 Ų | 154.6 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -81.3 | 110.4 | 177.5 | -165.6 | -93 | 0 | 0 | 0 | 107.5 | Q131 F135 | Q131-Y133 PolarHBondContact O-N 3.46Å; Y133-F135 PolarHBondContact O-N 2.94Å | ||
| 134 | E | 32.4 | Very low | 40 | Very low | 174 Ų | 174 | 160.7 Ų | 160.7 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -68.9 | 96.6 | -172.9 | -169.8 | 169.7 | -149.6 | 0 | 0 | 110.7 | E132 | E132-E134 PolarHBondContact O-N 2.86Š| ||
| 135 | F | 30.7 | Very low | 40.9 | Very low | 172 Ų | 172 | 157 Ų | 157 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | -83.6 | 115.7 | 162.6 | -132.1 | -94.7 | 0 | 0 | 0 | 107.3 | Y133 D137 | Y133-F135 PolarHBondContact O-N 2.94Å; F135-D137 PolarHBondContact O-N 3.46Å | ||
| 136 | T | 43.6 | Very low | 42.6 | Very low | 129 Ų | 129 | 156 Ų | 156 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -76.8 | 78.1 | 173.7 | 52.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 137 | D | 39.2 | Very low | 44.3 | Very low | 142 Ų | 142 | 158.1 Ų | 158.1 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | trans | -77.8 | 140.5 | 163.6 | -112 | -42.5 | 0 | 0 | 0 | 109.8 | F135 | F135-D137 PolarHBondContact O-N 3.46Š| ||
| 138 | D | 40.6 | Very low | 46.4 | Very low | 142 Ų | 142 | 154 Ų | 154 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | -61.5 | 146.9 | -177.3 | -115.2 | -36.4 | 0 | 0 | 0 | 111.1 | Q140 | D138-Q140 VanDerWaalsContact C-N 3.26Å; D138-Q140 PolarHBondContact O-N 2.95Å | ||
| 139 | P | 46 | Very low | 48.6 | Very low | 121 Ų | 121 | 152 Ų | 152 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | -69.5 | 81.4 | 176.4 | -14.4 | 29.5 | 0 | 0 | 0 | 111.4 | D141 | P139-D141 PolarHBondContact O-N 3.46Š| ||
| 140 | Q | 47.5 | Very low | 51.1 | Low | 167 Ų | 167 | 145 Ų | 145 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | trans | -63.5 | 119.1 | 167.5 | -122.3 | 173.9 | -2.5 | 0 | 0 | 108.2 | D138 I142 | D138-Q140 VanDerWaalsContact C-N 3.26Å; D138-Q140 PolarHBondContact O-N 2.95Å; Q140-I142 HydrophobicContact CB-CG1 4.38Å; Q140-I142 PolarHBondContact O-N 2.87Å | ||
| 141 | D | 56.7 | Low | 53.6 | Low | 160 Ų | 160 | 142.1 Ų | 142.1 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | trans | -74.1 | 65.8 | -176.2 | -165.5 | 15.7 | 0 | 0 | 0 | 110.8 | P139 P143 | P139-D141 PolarHBondContact O-N 3.46Å; D141-P143 VanDerWaalsContact O-CD 3.29Å; D141-P143 WeakPolarHBondContact O-CD 3.41Å | ||
| 142 | I | 50.7 | Low | 56.2 | Low | 126 Ų | 126 | 138 Ų | 138 | 65% | 0.646 | 71% | 0.71 | S | S | * | * | trans | -72.4 | 115.7 | 173.8 | -58 | 173.8 | 0 | 0 | 0 | 106.7 | Q140 R144 | Q140-I142 HydrophobicContact CB-CG1 4.38Å; Q140-I142 PolarHBondContact O-N 2.87Å; I142-R144 PolarHBondContact O-N 3.05Å | ||
| 143 | P | 54.7 | Low | 59.1 | Low | 110 Ų | 110 | 138.2 Ų | 138.2 | 71% | 0.714 | 70% | 0.703 | S | S | * | * | trans | -58.8 | 115.1 | 178.9 | -23.2 | 34.6 | 0 | 0 | 0 | 109.3 | D141 T145 | D141-P143 VanDerWaalsContact O-CD 3.29Å; D141-P143 WeakPolarHBondContact O-CD 3.41Å; P143-T145 PolarHBondContact O-N 3.29Å | ||
| 144 | R | 60.3 | Low | 62 | Low | 243 Ų | 243 | 133.4 Ų | 133.4 | 92% | 0.917 | 69% | 0.687 | S | S | * | * | trans | -57 | 112.4 | 176.7 | -71.3 | -176.9 | 176.9 | -171.1 | -1.9 | 108.2 | I142 | I142-R144 PolarHBondContact O-N 3.05Š| ||
| 145 | T | 54.9 | Low | 64.9 | Low | 115 Ų | 115 | 132.7 Ų | 132.7 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 135.5 | 174.3 | 44.3 | 0 | 0 | 0 | 0 | 108.8 | P143 K147 | P143-T145 PolarHBondContact O-N 3.29Å; T145-K147 PolarHBondContact O-N 2.65Å |
| 146 | P | 66.7 | Low | 67.9 | Low | 124 Ų | 124 | 127.9 Ų | 127.9 | 81% | 0.805 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -60 | 116.6 | 177.2 | 24.9 | -32.4 | 0 | 0 | 0 | 107.5 | N148 | P146-N148 PolarHBondContact O-N 2.62Å; P146-N148 VanDerWaalsContact O-N 3.08Å |
| 147 | K | 70.2 | Confident | 70.3 | Confident | 200 Ų | 200 | 125 Ų | 125 | 87% | 0.87 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 121.1 | -177.5 | -70.2 | -171.7 | 175 | -171.5 | 0 | 108.8 | T145 D149 | T145-K147 PolarHBondContact O-N 2.65Å; K147-D149 VanDerWaalsContact C-N 3.33Å; K147-D149 PolarHBondContact O-N 3.27Å |
| 148 | N | 77.9 | Confident | 73 | Confident | 79 Ų | 79 | 119.8 Ų | 119.8 | 42% | 0.422 | 63% | 0.627 | S | S | . | * | trans | -66.6 | 94.9 | 177.5 | -175.9 | -0.7 | 0 | 0 | 0 | 109.1 | Q48 P146 A150 P151 | Q48-N148 PolarHBondContact NE2-ND2 3.46Å; P146-N148 PolarHBondContact O-N 2.62Å; P146-N148 VanDerWaalsContact O-N 3.08Å; N148-A150 VanDerWaalsContact C-N 3.29Å; N148-A150 WeakPolarHBondContact OD1-CB 3.36Å; N148-A150 PolarHBondContact OD1-N 3.01Å; N148-A150 VanDerWaalsContact OD1-N 3.13Å; N148-P151 WeakPolarHBondContact O-CD 3.49Å | ||
| 149 | D | 83.6 | Confident | 75.6 | Confident | 77 Ų | 77 | 119.1 Ų | 119.1 | 41% | 0.412 | 62% | 0.62 | S | S | . | * | trans | -87 | 0.7 | -179.7 | -162.6 | 51.4 | 0 | 0 | 0 | 112.2 | K147 P151 N152 R153 | K147-D149 VanDerWaalsContact C-N 3.33Å; K147-D149 PolarHBondContact O-N 3.27Å; D149-P151 VanDerWaalsContact C-CD 3.49Å; D149-N152 PolarHBondContact O-N 3.26Å; D149-N152 VanDerWaalsContact O-N 3.12Å; D149-N152 WeakPolarHBondContact OD1-CB 3.34Å; D149-N152 PolarHBondContact OD1-ND2 3.16Å; D149-R153 WeakPolarHBondContact O-CG 3.48Å; D149-R153 PolarHBondContact O-N 3.25Å; D149-R153 WeakPolarHBondContact OD2-CG 3.37Å | ||
| 150 | A | 86.3 | Confident | 77.8 | Confident | 59 Ų | 59 | 117.6 Ų | 117.6 | 49% | 0.488 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -56.4 | -40.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N148 N152 R153 F154 | N148-A150 VanDerWaalsContact C-N 3.29Å; N148-A150 WeakPolarHBondContact OD1-CB 3.36Å; N148-A150 PolarHBondContact OD1-N 3.01Å; N148-A150 VanDerWaalsContact OD1-N 3.13Å; A150-N152 PolarHBondContact O-N 2.74Å; A150-R153 PolarHBondContact O-N 3.31Å; A150-F154 WeakPolarHBondContact O-CB 3.4Å; A150-F154 PolarHBondContact O-N 2.66Å |
| 151 | P | 88.4 | Confident | 79.9 | Confident | 65 Ų | 65 | 119.3 Ų | 119.3 | 42% | 0.422 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62 | -42.1 | 174.8 | -23.7 | 35.4 | 0 | 0 | 0 | 112.9 | N148 D149 F154 W155 | N148-P151 WeakPolarHBondContact O-CD 3.49Å; D149-P151 VanDerWaalsContact C-CD 3.49Å; P151-F154 PolarHBondContact O-N 2.98Å; P151-W155 PolarHBondContact O-N 2.7Å |
| 152 | N | 88.8 | Confident | 81.5 | Confident | 103 Ų | 103 | 116.2 Ų | 116.2 | 55% | 0.551 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.5 | -40.2 | 179.1 | -60.9 | -34 | 0 | 0 | 0 | 111.2 | D149 A150 W155 A156 | D149-N152 PolarHBondContact O-N 3.26Å; D149-N152 VanDerWaalsContact O-N 3.12Å; D149-N152 WeakPolarHBondContact OD1-CB 3.34Å; D149-N152 PolarHBondContact OD1-ND2 3.16Å; A150-N152 PolarHBondContact O-N 2.74Å; N152-W155 PolarHBondContact O-N 3.49Å; N152-A156 VanDerWaalsContact O-CB 3.26Å; N152-A156 WeakPolarHBondContact O-CB 3.42Å; N152-A156 PolarHBondContact O-N 3.22Å |
| 153 | R | 91.6 | Very high | 83.5 | Confident | 182 Ų | 182 | 113 Ų | 113 | 69% | 0.687 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.5 | -37.6 | 177.7 | -65.8 | 173.5 | 100.9 | -179.6 | 7.1 | 111.6 | D149 A150 S157 | D149-R153 WeakPolarHBondContact O-CG 3.48Å; D149-R153 PolarHBondContact O-N 3.25Å; D149-R153 WeakPolarHBondContact OD2-CG 3.37Å; A150-R153 PolarHBondContact O-N 3.31Å; R153-S157 WeakPolarHBondContact O-CB 3.46Å; R153-S157 PolarHBondContact O-N 2.92Å; R153-S157 VanDerWaalsContact O-N 3.1Å; R153-S157 PolarHBondContact O-OG 2.88Å |
| 154 | F | 92.1 | Very high | 85.5 | Confident | 112 Ų | 112 | 111.5 Ų | 111.5 | 49% | 0.491 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.7 | -57.2 | 170.8 | 173.5 | -98.1 | 0 | 0 | 0 | 110.7 | A150 P151 A156 S157 V158 | A150-F154 WeakPolarHBondContact O-CB 3.4Å; A150-F154 PolarHBondContact O-N 2.66Å; P151-F154 PolarHBondContact O-N 2.98Å; F154-A156 VanDerWaalsContact C-N 3.33Å; F154-A156 PolarHBondContact O-N 3.36Å; F154-S157 WeakPolarHBondContact O-CA 3.43Å; F154-S157 WeakPolarHBondContact O-CB 3.4Å; F154-S157 PolarHBondContact O-N 3.41Å; F154-S157 PolarHBondContact O-OG 3.3Å; F154-V158 HydrophobicContact CD1-CG2 4.4Å; F154-V158 HydrophobicContact CD2-CG2 4.35Å; F154-V158 HydrophobicContact CE1-CG2 4Å; F154-V158 HydrophobicContact CE2-CG2 3.95Å; F154-V158 HydrophobicContact CZ-CG2 3.76Å; F154-V158 WeakPolarHBondContact O-CG2 3.35Å; F154-V158 PolarHBondContact O-N 3.43Å |
| 155 | W | 93.6 | Very high | 87.1 | Confident | 159 Ų | 159 | 102.4 Ų | 102.4 | 60% | 0.602 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.4 | -40.4 | -179.5 | -70.7 | 118.8 | 0 | 0 | 0 | 112.8 | P151 N152 S157 V158 E159 | P151-W155 PolarHBondContact O-N 2.7Å; N152-W155 PolarHBondContact O-N 3.49Å; W155-S157 PolarHBondContact O-N 3.25Å; W155-V158 HydrophobicContact CE3-CB 4.41Å; W155-V158 HydrophobicContact CE3-CG1 4.37Å; W155-V158 HydrophobicContact CZ3-CG1 4.37Å; W155-V158 PolarHBondContact O-N 2.98Å; W155-V158 VanDerWaalsContact O-N 3.07Å; W155-E159 PolarHBondContact O-N 3.42Å |
| 156 | A | 92.7 | Very high | 89 | Confident | 70 Ų | 70 | 99.4 Ų | 99.4 | 58% | 0.579 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.4 | -27.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | N152 F154 | N152-A156 VanDerWaalsContact O-CB 3.26Å; N152-A156 WeakPolarHBondContact O-CB 3.42Å; N152-A156 PolarHBondContact O-N 3.22Å; F154-A156 VanDerWaalsContact C-N 3.33Å; F154-A156 PolarHBondContact O-N 3.36Å |
| 157 | S | 94.5 | Very high | 90.4 | Very high | 68 Ų | 68 | 97.8 Ų | 97.8 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -81.4 | -24.2 | 173.8 | 73.1 | 0 | 0 | 0 | 0 | 113.5 | R153 F154 W155 Y161 | R153-S157 WeakPolarHBondContact O-CB 3.46Å; R153-S157 PolarHBondContact O-N 2.92Å; R153-S157 VanDerWaalsContact O-N 3.1Å; R153-S157 PolarHBondContact O-OG 2.88Å; F154-S157 WeakPolarHBondContact O-CA 3.43Å; F154-S157 WeakPolarHBondContact O-CB 3.4Å; F154-S157 PolarHBondContact O-N 3.41Å; F154-S157 PolarHBondContact O-OG 3.3Å; W155-S157 PolarHBondContact O-N 3.25Å; S157-Y161 WeakPolarHBondContact O-CD2 3.3Å; S157-Y161 WeakPolarHBondContact O-CE2 3.4Å |
| 158 | V | 96.1 | Very high | 91.6 | Very high | 33 Ų | 33 | 93.6 Ų | 93.6 | 20% | 0.2 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -87.3 | -32.4 | 178.7 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | F154 W155 P160 Y161 C162 | F154-V158 HydrophobicContact CD1-CG2 4.4Å; F154-V158 HydrophobicContact CD2-CG2 4.35Å; F154-V158 HydrophobicContact CE1-CG2 4Å; F154-V158 HydrophobicContact CE2-CG2 3.95Å; F154-V158 HydrophobicContact CZ-CG2 3.76Å; F154-V158 WeakPolarHBondContact O-CG2 3.35Å; F154-V158 PolarHBondContact O-N 3.43Å; W155-V158 HydrophobicContact CE3-CB 4.41Å; W155-V158 HydrophobicContact CE3-CG1 4.37Å; W155-V158 HydrophobicContact CZ3-CG1 4.37Å; W155-V158 PolarHBondContact O-N 2.98Å; W155-V158 VanDerWaalsContact O-N 3.07Å; V158-P160 VanDerWaalsContact C-N 3.35Å; V158-P160 VanDerWaalsContact O-N 3.17Å; V158-Y161 PolarHBondContact O-N 3.22Å; V158-C162 VanDerWaalsContact CG1-SG 3.56Å; V158-C162 PolarHBondContact O-N 2.96Å |
| 159 | E | 93.7 | Very high | 92.4 | Very high | 129 Ų | 129 | 94.4 Ų | 94.4 | 60% | 0.603 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -44.8 | -46.5 | -178.3 | -167.9 | 79.5 | -175.5 | 0 | 0 | 113.8 | W155 Y161 C162 A163 | W155-E159 PolarHBondContact O-N 3.42Å; E159-Y161 PolarHBondContact O-N 3.47Å; E159-C162 CarbonylContact O-C 3.55Å; E159-C162 PolarHBondContact O-N 3.44Å; E159-C162 VanDerWaalsContact O-N 3.11Å; E159-A163 PolarHBondContact O-N 3.34Å |
| 160 | P | 92.7 | Very high | 93 | Very high | 89 Ų | 89 | 91.2 Ų | 91.2 | 58% | 0.578 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.1 | -26.3 | -178.6 | -20.1 | 34.4 | 0 | 0 | 0 | 113.9 | V158 | V158-P160 VanDerWaalsContact C-N 3.35Å; V158-P160 VanDerWaalsContact O-N 3.17Å |
| 161 | Y | 92 | Very high | 93.5 | Very high | 202 Ų | 202 | 95.5 Ų | 95.5 | 79% | 0.792 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -86.7 | -14.7 | 178.6 | -56.1 | -83.1 | 0 | 0 | 0 | 112.8 | S157 V158 E159 | S157-Y161 WeakPolarHBondContact O-CD2 3.3Å; S157-Y161 WeakPolarHBondContact O-CE2 3.4Å; V158-Y161 PolarHBondContact O-N 3.22Å; E159-Y161 PolarHBondContact O-N 3.47Å |
| 162 | C | 90.9 | Very high | 93.9 | Very high | 96 Ų | 96 | 96.8 Ų | 96.8 | 65% | 0.649 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -110.2 | 2 | 178.8 | -61.2 | 0 | 0 | 0 | 0 | 113.1 | V158 E159 | V158-C162 VanDerWaalsContact CG1-SG 3.56Å; V158-C162 PolarHBondContact O-N 2.96Å; E159-C162 CarbonylContact O-C 3.55Å; E159-C162 PolarHBondContact O-N 3.44Å; E159-C162 VanDerWaalsContact O-N 3.11Å |
| 163 | A | 92.4 | Very high | 94.2 | Very high | 57 Ų | 57 | 93.7 Ų | 93.7 | 47% | 0.471 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -68.2 | 151.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E159 I165 | E159-A163 PolarHBondContact O-N 3.34Å; A163-I165 PolarHBondContact O-N 3.45Å |
| 164 | D | 95.2 | Very high | 94.4 | Very high | 79 Ų | 79 | 88.9 Ų | 88.9 | 42% | 0.422 | 46% | 0.456 | S | S | . | . | trans | -67.9 | 120.4 | 170.6 | -79.9 | -37.1 | 0 | 0 | 0 | 109.5 | T166 Q377 R380 | D164-T166 PolarHBondContact O-N 2.94Å; D164-Q377 HydrophobicContact CB-CG 4.36Å; D164-Q377 WeakPolarHBondContact OD1-CG 3.32Å; D164-R380 IonicContact OD1-NH2 3.95Å; D164-R380 PolarHBondContact OD1-NH2 3.26Å | ||
| 165 | I | 95.5 | Very high | 94.6 | Very high | 52 Ų | 52 | 89.1 Ų | 89.1 | 27% | 0.267 | 46% | 0.459 | S | S | . | . | trans | -46 | 131.4 | 172.5 | -57 | 176.4 | 0 | 0 | 0 | 112.2 | A163 E169 A370 E373 M374 Q377 | A163-I165 PolarHBondContact O-N 3.45Å; I165-E169 HydrophobicContact CG2-CB 4.49Å; I165-A370 HydrophobicContact CD1-CB 4.26Å; I165-A370 HydrophobicContact CG2-CB 4.36Å; I165-E373 HydrophobicContact CD1-CB 4.07Å; I165-E373 HydrophobicContact CD1-CG 4.04Å; I165-M374 HydrophobicContact CG2-CG 4.26Å; I165-Q377 PolarHBondContact O-OE1 3.41Å; I165-Q377 VanDerWaalsContact O-OE1 3.05Å | ||
| 166 | T | 95.2 | Very high | 94.7 | Very high | 53 Ų | 53 | 85.4 Ų | 85.4 | 33% | 0.325 | 45% | 0.451 | S | S | . | . | trans | -96.7 | 166.7 | -177.2 | 64.6 | 0 | 0 | 0 | 0 | 113.4 | D164 E168 E169 T170 | D164-T166 PolarHBondContact O-N 2.94Å; T166-E168 PolarHBondContact O-N 3.33Å; T166-E169 WeakPolarHBondContact CB-OE2 3.38Å; T166-E169 PolarHBondContact N-OE2 2.94Å; T166-E169 VanDerWaalsContact OG1-CD 3.22Å; T166-E169 WeakPolarHBondContact OG1-CG 3.42Å; T166-E169 PolarHBondContact OG1-N 3.41Å; T166-E169 VanDerWaalsContact OG1-N 3.15Å; T166-E169 PolarHBondContact OG1-OE2 2.87Å; T166-T170 PolarHBondContact O-N 2.94Å; T166-T170 PolarHBondContact O-OG1 2.75Å; T166-T170 VanDerWaalsContact O-OG1 3.13Å | ||
| 167 | N | 95.3 | Very high | 94.7 | Very high | 90 Ų | 90 | 83.6 Ų | 83.6 | 48% | 0.481 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.8 | -33.6 | 171.4 | -74.5 | -88.4 | 0 | 0 | 0 | 111 | T170 R171 | N167-T170 PolarHBondContact O-N 3.39Å; N167-R171 WeakPolarHBondContact O-CB 3.42Å; N167-R171 VanDerWaalsContact O-CG 3.28Å; N167-R171 WeakPolarHBondContact O-CG 3.4Å; N167-R171 PolarHBondContact O-N 3.46Å |
| 168 | E | 95.8 | Very high | 94.7 | Very high | 112 Ų | 112 | 86.9 Ų | 86.9 | 52% | 0.523 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.2 | -44.7 | -179.6 | -70.9 | 56.8 | -133.1 | 0 | 0 | 111.1 | T166 R171 L172 | T166-E168 PolarHBondContact O-N 3.33Å; E168-R171 PolarHBondContact O-N 3.2Å; E168-R171 IonicContact OE1-NH1 3.71Å; E168-R171 PolarHBondContact OE1-NH1 3.24Å; E168-L172 WeakPolarHBondContact O-CB 3.36Å; E168-L172 PolarHBondContact O-N 3.33Å |
| 169 | E | 94.5 | Very high | 94.2 | Very high | 95 Ų | 95 | 89 Ų | 89 | 44% | 0.444 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.8 | -37 | 175.2 | -70.2 | 155.6 | 143.9 | 0 | 0 | 112.1 | I165 T166 L172 L173 | I165-E169 HydrophobicContact CG2-CB 4.49Å; T166-E169 WeakPolarHBondContact CB-OE2 3.38Å; T166-E169 PolarHBondContact N-OE2 2.94Å; T166-E169 VanDerWaalsContact OG1-CD 3.22Å; T166-E169 WeakPolarHBondContact OG1-CG 3.42Å; T166-E169 PolarHBondContact OG1-N 3.41Å; T166-E169 VanDerWaalsContact OG1-N 3.15Å; T166-E169 PolarHBondContact OG1-OE2 2.87Å; E169-L172 PolarHBondContact O-N 2.9Å; E169-L173 PolarHBondContact O-N 3.34Å |
| 170 | T | 96 | Very high | 93.8 | Very high | 10 Ų | 10 | 86.3 Ų | 86.3 | 6% | 0.061 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 174.1 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | T166 N167 L173 E174 L367 K371 M374 | T166-T170 PolarHBondContact O-N 2.94Å; T166-T170 PolarHBondContact O-OG1 2.75Å; T166-T170 VanDerWaalsContact O-OG1 3.13Å; N167-T170 PolarHBondContact O-N 3.39Å; T170-L173 PolarHBondContact O-N 2.88Å; T170-E174 WeakPolarHBondContact O-CG 3.5Å; T170-E174 PolarHBondContact O-N 3.47Å; T170-L367 HydrophobicContact CG2-CD1 3.74Å; T170-K371 HydrophobicContact CG2-CG 4.1Å; T170-M374 HydrophobicContact CG2-SD 4.48Å; T170-M374 PolarHBondContact OG1-SD 3.37Å |
| 171 | R | 96.9 | Very high | 93.4 | Very high | 150 Ų | 150 | 91.8 Ų | 91.8 | 57% | 0.566 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64.7 | -39 | 173.7 | -75.2 | 170 | 179.6 | 161.4 | 1.5 | 112.4 | N167 E168 L173 E174 E175 | N167-R171 WeakPolarHBondContact O-CB 3.42Å; N167-R171 VanDerWaalsContact O-CG 3.28Å; N167-R171 WeakPolarHBondContact O-CG 3.4Å; N167-R171 PolarHBondContact O-N 3.46Å; E168-R171 PolarHBondContact O-N 3.2Å; E168-R171 IonicContact OE1-NH1 3.71Å; E168-R171 PolarHBondContact OE1-NH1 3.24Å; R171-L173 VanDerWaalsContact C-N 3.33Å; R171-L173 PolarHBondContact O-N 3.4Å; R171-E174 WeakPolarHBondContact O-CB 3.32Å; R171-E174 PolarHBondContact O-N 3.2Å; R171-E175 WeakPolarHBondContact O-CB 3.37Å; R171-E175 PolarHBondContact O-N 3.07Å |
| 172 | L | 96.2 | Very high | 93.1 | Very high | 92 Ų | 92 | 85.4 Ų | 85.4 | 48% | 0.482 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 174.9 | 178.3 | 64.2 | 0 | 0 | 0 | 111.1 | E168 E169 E175 L176 | E168-L172 WeakPolarHBondContact O-CB 3.36Å; E168-L172 PolarHBondContact O-N 3.33Å; E169-L172 PolarHBondContact O-N 2.9Å; L172-E175 PolarHBondContact O-N 3.13Å; L172-L176 HydrophobicContact CD1-CD1 4.24Å; L172-L176 HydrophobicContact CD1-CG 4.26Å; L172-L176 HydrophobicContact CG-CD1 4.02Å; L172-L176 HydrophobicContact CG-CG 4.46Å; L172-L176 WeakPolarHBondContact O-CB 3.25Å; L172-L176 VanDerWaalsContact O-CG 3.23Å; L172-L176 WeakPolarHBondContact O-CG 3.41Å; L172-L176 PolarHBondContact O-N 3.14Å |
| 173 | L | 95.8 | Very high | 92.9 | Very high | 38 Ų | 38 | 83.1 Ų | 83.1 | 20% | 0.199 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 173.8 | -73.5 | 171.9 | 0 | 0 | 0 | 112.6 | E169 T170 R171 L177 L366 L367 A370 | E169-L173 PolarHBondContact O-N 3.34Å; T170-L173 PolarHBondContact O-N 2.88Å; R171-L173 VanDerWaalsContact C-N 3.33Å; R171-L173 PolarHBondContact O-N 3.4Å; L173-L177 WeakPolarHBondContact O-CD1 3.49Å; L173-L177 WeakPolarHBondContact O-CG 3.43Å; L173-L177 PolarHBondContact O-N 3.27Å; L173-L366 HydrophobicContact CD1-CB 4.47Å; L173-L366 HydrophobicContact CD2-CB 4.44Å; L173-L367 HydrophobicContact CB-CB 4.43Å; L173-L367 HydrophobicContact CB-CD1 4.04Å; L173-A370 HydrophobicContact CD1-CB 4.2Å |
| 174 | E | 96.1 | Very high | 92.6 | Very high | 80 Ų | 80 | 83.7 Ų | 83.7 | 37% | 0.374 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.3 | -36.4 | 173.8 | -71.2 | 177.7 | 160.6 | 0 | 0 | 112.8 | T170 R171 L177 L367 K371 | T170-E174 WeakPolarHBondContact O-CG 3.5Å; T170-E174 PolarHBondContact O-N 3.47Å; R171-E174 WeakPolarHBondContact O-CB 3.32Å; R171-E174 PolarHBondContact O-N 3.2Å; E174-L177 PolarHBondContact O-N 3.2Å; E174-L367 HydrophobicContact CG-CD1 3.79Å; E174-L367 HydrophobicContact CG-CD2 3.67Å; E174-L367 HydrophobicContact CG-CG 4.41Å; E174-K371 WeakPolarHBondContact OE1-CE 3.24Å; E174-K371 IonicContact OE1-NZ 3.45Å; E174-K371 PolarHBondContact OE1-NZ 2.97Å |
| 175 | E | 95.8 | Very high | 92.4 | Very high | 117 Ų | 117 | 85.9 Ų | 85.9 | 55% | 0.547 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.4 | -46.2 | 175 | -176.2 | 166.7 | -153.9 | 0 | 0 | 111.8 | R171 L172 L177 K178 | R171-E175 WeakPolarHBondContact O-CB 3.37Å; R171-E175 PolarHBondContact O-N 3.07Å; L172-E175 PolarHBondContact O-N 3.13Å; E175-L177 PolarHBondContact O-N 3.26Å; E175-L177 VanDerWaalsContact O-N 3.07Å; E175-K178 WeakPolarHBondContact O-CB 3.47Å; E175-K178 WeakPolarHBondContact O-CG 3.32Å; E175-K178 PolarHBondContact O-N 2.9Å |
| 176 | L | 94.5 | Very high | 91.9 | Very high | 82 Ų | 82 | 89.5 Ų | 89.5 | 43% | 0.429 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -10.9 | 175.5 | -71.5 | 173.1 | 0 | 0 | 0 | 113.8 | L172 K363 | L172-L176 HydrophobicContact CD1-CD1 4.24Å; L172-L176 HydrophobicContact CD1-CG 4.26Å; L172-L176 HydrophobicContact CG-CD1 4.02Å; L172-L176 HydrophobicContact CG-CG 4.46Å; L172-L176 WeakPolarHBondContact O-CB 3.25Å; L172-L176 VanDerWaalsContact O-CG 3.23Å; L172-L176 WeakPolarHBondContact O-CG 3.41Å; L172-L176 PolarHBondContact O-N 3.14Å; L176-K363 HydrophobicContact CB-CD 4.29Å; L176-K363 WeakPolarHBondContact O-CD 3.23Å; L176-K363 WeakPolarHBondContact O-CE 3.33Å; L176-K363 PolarHBondContact O-NZ 2.97Å |
| 177 | L | 94.2 | Very high | 91.7 | Very high | 32 Ų | 32 | 89.2 Ų | 89.2 | 17% | 0.168 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -9.9 | 174.3 | -83.7 | 168.5 | 0 | 0 | 0 | 114.1 | L173 E174 E175 R360 K363 Q364 L367 | L173-L177 WeakPolarHBondContact O-CD1 3.49Å; L173-L177 WeakPolarHBondContact O-CG 3.43Å; L173-L177 PolarHBondContact O-N 3.27Å; E174-L177 PolarHBondContact O-N 3.2Å; E175-L177 PolarHBondContact O-N 3.26Å; E175-L177 VanDerWaalsContact O-N 3.07Å; L177-R360 HydrophobicContact CD2-CG 4.13Å; L177-K363 HydrophobicContact CD1-CB 4.48Å; L177-K363 HydrophobicContact CD2-CB 3.53Å; L177-K363 HydrophobicContact CD2-CD 4.39Å; L177-K363 HydrophobicContact CG-CB 3.87Å; L177-Q364 HydrophobicContact CD1-CG 4.18Å; L177-Q364 HydrophobicContact CD2-CG 3.59Å; L177-L367 HydrophobicContact CD1-CB 4.25Å; L177-L367 HydrophobicContact CD1-CD2 3.65Å |
| 178 | K | 92.9 | Very high | 91.5 | Very high | 136 Ų | 136 | 91.3 Ų | 91.3 | 59% | 0.591 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -68.8 | 134.4 | 170.2 | -61.1 | 172.1 | -174.1 | 167.6 | 0 | 108.7 | E175 | E175-K178 WeakPolarHBondContact O-CB 3.47Å; E175-K178 WeakPolarHBondContact O-CG 3.32Å; E175-K178 PolarHBondContact O-N 2.9Å |
| 179 | P | 86.3 | Confident | 91.2 | Very high | 79 Ų | 79 | 89.3 Ų | 89.3 | 51% | 0.513 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -64 | 138.5 | 172 | 28.1 | -33.3 | 0 | 0 | 0 | 109.6 | E183 | P179-E183 WeakPolarHBondContact CB-OE2 3.47Š|
| 180 | P | 85.6 | Confident | 90.8 | Very high | 71 Ų | 71 | 90.2 Ų | 90.2 | 46% | 0.461 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 141.5 | 169.7 | -21.4 | 32.8 | 0 | 0 | 0 | 111.3 | D182 E183 | P180-D182 WeakPolarHBondContact CB-OD1 3.45Å; P180-D182 PolarHBondContact O-N 3.47Å; P180-E183 HydrophobicContact CB-CB 4.35Å; P180-E183 WeakPolarHBondContact CD-OE2 3.31Å; P180-E183 WeakPolarHBondContact O-CB 3.28Å; P180-E183 PolarHBondContact O-N 2.83Å; P180-E183 VanDerWaalsContact O-N 3.15Å |
| 181 | E | 84.8 | Confident | 90.1 | Very high | 204 Ų | 204 | 94.4 Ų | 94.4 | 95% | 0.953 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -24.8 | -179.4 | -61 | -165 | 153.7 | 0 | 0 | 112.5 | ||
| 182 | D | 85.6 | Confident | 89.4 | Confident | 68 Ų | 68 | 94.4 Ų | 94.4 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -0.3 | 177.8 | 62.8 | -37.4 | 0 | 0 | 0 | 113.8 | P180 A184 E185 Y186 | P180-D182 WeakPolarHBondContact CB-OD1 3.45Å; P180-D182 PolarHBondContact O-N 3.47Å; D182-A184 PolarHBondContact O-N 3.43Å; D182-E185 VanDerWaalsContact O-CB 3.3Å; D182-E185 WeakPolarHBondContact O-CB 3.35Å; D182-E185 PolarHBondContact O-N 3.39Å; D182-Y186 WeakPolarHBondContact OD2-CE2 3.46Å; D182-Y186 VanDerWaalsContact OD2-CZ 3.29Å; D182-Y186 PolarHBondContact OD2-OH 2.91Å |
| 183 | E | 85.8 | Confident | 88.8 | Confident | 48 Ų | 48 | 93.3 Ų | 93.3 | 22% | 0.224 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -35.2 | -175.8 | -170.5 | -178.1 | 148 | 0 | 0 | 112.3 | P179 P180 E185 F187 I356 | P179-E183 WeakPolarHBondContact CB-OE2 3.47Å; P180-E183 HydrophobicContact CB-CB 4.35Å; P180-E183 WeakPolarHBondContact CD-OE2 3.31Å; P180-E183 WeakPolarHBondContact O-CB 3.28Å; P180-E183 PolarHBondContact O-N 2.83Å; P180-E183 VanDerWaalsContact O-N 3.15Å; E183-E185 VanDerWaalsContact C-N 3.28Å; E183-E185 PolarHBondContact O-N 3.31Å; E183-F187 HydrophobicContact CG-CE2 4.24Å; E183-F187 WeakPolarHBondContact O-CD2 3.28Å; E183-F187 VanDerWaalsContact O-CE2 3.29Å; E183-F187 WeakPolarHBondContact O-CE2 3.43Å; E183-I356 HydrophobicContact CG-CD1 4.3Å |
| 184 | A | 87.6 | Confident | 88.3 | Confident | 70 Ų | 70 | 96.6 Ų | 96.6 | 58% | 0.579 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -14.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D182 | D182-A184 PolarHBondContact O-N 3.43Š|
| 185 | E | 89.2 | Confident | 87.9 | Confident | 124 Ų | 124 | 97.5 Ų | 97.5 | 58% | 0.579 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -37.2 | -179.9 | -167.2 | 154.7 | 169 | 0 | 0 | 112.3 | D182 E183 F187 K188 | D182-E185 VanDerWaalsContact O-CB 3.3Å; D182-E185 WeakPolarHBondContact O-CB 3.35Å; D182-E185 PolarHBondContact O-N 3.39Å; E183-E185 VanDerWaalsContact C-N 3.28Å; E183-E185 PolarHBondContact O-N 3.31Å; E185-F187 PolarHBondContact O-N 3.31Å; E185-K188 HydrophobicContact CG-CD 4.39Å; E185-K188 PolarHBondContact O-N 3.49Å |
| 186 | Y | 86.7 | Confident | 87.3 | Confident | 129 Ų | 129 | 98.5 Ų | 98.5 | 51% | 0.506 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -14.6 | 176.6 | -56 | -64.6 | 0 | 0 | 0 | 114.5 | D182 Q349 | D182-Y186 WeakPolarHBondContact OD2-CE2 3.46Å; D182-Y186 VanDerWaalsContact OD2-CZ 3.29Å; D182-Y186 PolarHBondContact OD2-OH 2.91Å; Y186-Q349 PolarHBondContact O-NE2 3.01Å |
| 187 | F | 90.9 | Very high | 86.9 | Confident | 47 Ų | 47 | 97.3 Ų | 97.3 | 21% | 0.206 | 52% | 0.523 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 3.1 | -179.4 | -55.5 | -58.9 | 0 | 0 | 0 | 114.1 | E183 E185 Q349 L352 K353 I356 | E183-F187 HydrophobicContact CG-CE2 4.24Å; E183-F187 WeakPolarHBondContact O-CD2 3.28Å; E183-F187 VanDerWaalsContact O-CE2 3.29Å; E183-F187 WeakPolarHBondContact O-CE2 3.43Å; E185-F187 PolarHBondContact O-N 3.31Å; F187-Q349 HydrophobicContact CD1-CB 3.99Å; F187-Q349 HydrophobicContact CD1-CG 3.96Å; F187-Q349 HydrophobicContact CE1-CB 4.32Å; F187-L352 HydrophobicContact CE1-CB 4.37Å; F187-L352 HydrophobicContact CE1-CD2 3.94Å; F187-L352 HydrophobicContact CE1-CG 4.21Å; F187-L352 HydrophobicContact CZ-CD2 4.06Å; F187-L352 HydrophobicContact CZ-CG 4.17Å; F187-K353 HydrophobicContact CD1-CD 4.49Å; F187-K353 VanDerWaalsContact CD1-CE 3.45Å; F187-K353 HydrophobicContact CD1-CG 4.37Å; F187-K353 HydrophobicContact CE1-CD 4.16Å; F187-K353 HydrophobicContact CE1-CG 3.59Å; F187-K353 HydrophobicContact CE2-CG 4.48Å; F187-K353 HydrophobicContact CZ-CG 3.65Å; F187-I356 HydrophobicContact CE2-CD1 4.5Å; F187-I356 HydrophobicContact CZ-CD1 4.01Å |
| 188 | K | 91.4 | Very high | 86.5 | Confident | 134 Ų | 134 | 100.5 Ų | 100.5 | 58% | 0.583 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -82.3 | 123.2 | 175.4 | -64.3 | 173.1 | -168.1 | 160.9 | 0 | 109.8 | E185 | E185-K188 HydrophobicContact CG-CD 4.39Å; E185-K188 PolarHBondContact O-N 3.49Å |
| 189 | I | 88.1 | Confident | 86.2 | Confident | 70 Ų | 70 | 100.1 Ų | 100.1 | 36% | 0.359 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -101.2 | 116.6 | 170.1 | -48.7 | -173.3 | 0 | 0 | 0 | 107.2 | L342 L345 Q346 | I189-L342 HydrophobicContact CD1-CD1 3.83Å; I189-L342 HydrophobicContact CG2-CD1 3.85Å; I189-L345 HydrophobicContact CB-CD2 4.38Å; I189-L345 HydrophobicContact CD1-CD2 3.63Å; I189-L345 HydrophobicContact CG1-CD2 3.59Å; I189-L345 HydrophobicContact CG2-CD2 4.11Å; I189-Q346 HydrophobicContact CD1-CG 4Å |
| 190 | P | 85.8 | Confident | 86.4 | Confident | 113 Ų | 113 | 103.4 Ų | 103.4 | 73% | 0.734 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 149.2 | 173 | -21.7 | 34 | 0 | 0 | 0 | 111.5 | ||
| 191 | A | 83.1 | Confident | 86.6 | Confident | 99 Ų | 99 | 102.1 Ų | 102.1 | 82% | 0.818 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 145.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | G193 | A191-G193 PolarHBondContact O-N 3.39Š|
| 192 | L | 82.3 | Confident | 86.7 | Confident | 150 Ų | 150 | 94.8 Ų | 94.8 | 79% | 0.785 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 132.6 | 170.8 | -65.3 | 173.5 | 0 | 0 | 0 | 109.9 | ||
| 193 | G | 82.7 | Confident | 86.8 | Confident | 69 Ų | 69 | 95.6 Ų | 95.6 | 71% | 0.711 | 50% | 0.497 | S | S | * | . | trans | -76 | -177 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | A191 H195 | A191-G193 PolarHBondContact O-N 3.39Å; G193-H195 PolarHBondContact O-N 3.1Å | ||
| 194 | K | 85.8 | Confident | 87 | Confident | 107 Ų | 107 | 97.8 Ų | 97.8 | 47% | 0.465 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -56.7 | 136.7 | 168.5 | -70 | -164.1 | 179.4 | -163.9 | 0 | 110.2 | R199 | K194-R199 HydrophobicContact CB-CG 3.85Š|
| 195 | H | 86.3 | Confident | 86.9 | Confident | 98 Ų | 98 | 97.5 Ų | 97.5 | 45% | 0.454 | 50% | 0.499 | S | S | . | . | trans | -59 | 145.4 | 176.5 | -168.7 | -102.6 | 0 | 0 | 0 | 111.3 | G193 S197 Q198 R199 | G193-H195 PolarHBondContact O-N 3.1Å; H195-S197 VanDerWaalsContact C-N 3.28Å; H195-S197 PolarHBondContact ND1-N 3.11Å; H195-S197 PolarHBondContact ND1-OG 3.23Å; H195-S197 PolarHBondContact O-N 2.84Å; H195-Q198 PolarHBondContact O-N 2.95Å; H195-Q198 VanDerWaalsContact O-N 3.09Å; H195-R199 PolarHBondContact O-N 3.43Å | ||
| 196 | Y | 84.8 | Confident | 86.8 | Confident | 139 Ų | 139 | 94.5 Ų | 94.5 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60 | -36 | -172.6 | 63.7 | -93.9 | 0 | 0 | 0 | 112.6 | Q198 R199 W200 | Y196-Q198 PolarHBondContact O-N 2.99Å; Y196-R199 WeakPolarHBondContact O-CB 3.36Å; Y196-R199 PolarHBondContact O-N 3.07Å; Y196-R199 VanDerWaalsContact O-N 3.16Å; Y196-W200 HydrophobicContact CD2-CD2 4.33Å; Y196-W200 AromaticContact CD2-CE3 3.81Å; Y196-W200 HydrophobicContact CD2-CE3 3.81Å; Y196-W200 AromaticContact CD2-CH2 3.77Å; Y196-W200 HydrophobicContact CD2-CH2 3.77Å; Y196-W200 HydrophobicContact CD2-CZ2 4.29Å; Y196-W200 AromaticContact CD2-CZ3 3.51Å; Y196-W200 HydrophobicContact CD2-CZ3 3.51Å; Y196-W200 HydrophobicContact CE2-CE3 4.36Å; Y196-W200 HydrophobicContact CE2-CH2 4.24Å; Y196-W200 AromaticContact CE2-CZ3 3.81Å; Y196-W200 HydrophobicContact CE2-CZ3 3.81Å; Y196-W200 PolarHBondContact O-N 3.27Å |
| 197 | S | 85.3 | Confident | 86.8 | Confident | 56 Ų | 56 | 93.7 Ų | 93.7 | 39% | 0.392 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 176.8 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | H195 R199 A201 | H195-S197 VanDerWaalsContact C-N 3.28Å; H195-S197 PolarHBondContact ND1-N 3.11Å; H195-S197 PolarHBondContact ND1-OG 3.23Å; H195-S197 PolarHBondContact O-N 2.84Å; S197-R199 VanDerWaalsContact C-N 3.32Å; S197-A201 WeakPolarHBondContact O-CB 3.42Å; S197-A201 PolarHBondContact O-N 3.3Å |
| 198 | Q | 85 | Confident | 86.5 | Confident | 99 Ų | 99 | 98.1 Ų | 98.1 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.8 | -32.4 | 174.2 | -68.3 | -178.8 | -9.4 | 0 | 0 | 111.6 | H195 Y196 Q202 | H195-Q198 PolarHBondContact O-N 2.95Å; H195-Q198 VanDerWaalsContact O-N 3.09Å; Y196-Q198 PolarHBondContact O-N 2.99Å; Q198-Q202 VanDerWaalsContact O-CB 3.24Å; Q198-Q202 WeakPolarHBondContact O-CB 3.45Å; Q198-Q202 PolarHBondContact O-N 3.22Å; Q198-Q202 VanDerWaalsContact O-N 3.08Å |
| 199 | R | 86.9 | Confident | 85.9 | Confident | 128 Ų | 128 | 95.9 Ų | 95.9 | 48% | 0.483 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.3 | -47.6 | 173.9 | -72.8 | -163.8 | 58 | -167.4 | -12.6 | 111.8 | K194 H195 Y196 S197 Q202 E203 | K194-R199 HydrophobicContact CB-CG 3.85Å; H195-R199 PolarHBondContact O-N 3.43Å; Y196-R199 WeakPolarHBondContact O-CB 3.36Å; Y196-R199 PolarHBondContact O-N 3.07Å; Y196-R199 VanDerWaalsContact O-N 3.16Å; S197-R199 VanDerWaalsContact C-N 3.32Å; R199-Q202 PolarHBondContact O-N 2.91Å; R199-E203 IonicContact CZ-OE1 3.62Å; R199-E203 IonicContact NE-OE1 3.93Å; R199-E203 PolarHBondContact NE-OE1 3.47Å; R199-E203 IonicContact NH2-OE1 2.75Å; R199-E203 PolarHBondContact NH2-OE1 3.3Å; R199-E203 VanDerWaalsContact O-CB 3.3Å; R199-E203 WeakPolarHBondContact O-CB 3.39Å; R199-E203 VanDerWaalsContact O-CG 3.22Å; R199-E203 WeakPolarHBondContact O-CG 3.33Å; R199-E203 PolarHBondContact O-N 3.19Å |
| 200 | W | 90.9 | Very high | 85.6 | Confident | 149 Ų | 149 | 99 Ų | 99 | 56% | 0.564 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62 | -49.9 | 175.3 | -65.7 | -24 | 0 | 0 | 0 | 111.5 | Y196 Q202 E203 D204 | Y196-W200 HydrophobicContact CD2-CD2 4.33Å; Y196-W200 AromaticContact CD2-CE3 3.81Å; Y196-W200 HydrophobicContact CD2-CE3 3.81Å; Y196-W200 AromaticContact CD2-CH2 3.77Å; Y196-W200 HydrophobicContact CD2-CH2 3.77Å; Y196-W200 HydrophobicContact CD2-CZ2 4.29Å; Y196-W200 AromaticContact CD2-CZ3 3.51Å; Y196-W200 HydrophobicContact CD2-CZ3 3.51Å; Y196-W200 HydrophobicContact CE2-CE3 4.36Å; Y196-W200 HydrophobicContact CE2-CH2 4.24Å; Y196-W200 AromaticContact CE2-CZ3 3.81Å; Y196-W200 HydrophobicContact CE2-CZ3 3.81Å; Y196-W200 PolarHBondContact O-N 3.27Å; W200-Q202 PolarHBondContact O-N 3.3Å; W200-Q202 VanDerWaalsContact O-N 3.12Å; W200-E203 CarbonylContact O-C 3.52Å; W200-E203 PolarHBondContact O-N 2.95Å; W200-D204 WeakPolarHBondContact O-CB 3.3Å; W200-D204 PolarHBondContact O-N 2.93Å |
| 201 | A | 89 | Confident | 85.2 | Confident | 44 Ų | 44 | 99.2 Ų | 99.2 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.3 | -33 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S197 L205 | S197-A201 WeakPolarHBondContact O-CB 3.42Å; S197-A201 PolarHBondContact O-N 3.3Å; A201-L205 VanDerWaalsContact O-CB 3.3Å; A201-L205 WeakPolarHBondContact O-CB 3.5Å; A201-L205 PolarHBondContact O-N 3.47Å |
| 202 | Q | 87.1 | Confident | 84.6 | Confident | 49 Ų | 49 | 96.3 Ų | 96.3 | 23% | 0.229 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -75.2 | -39 | 173.1 | -175.7 | 175.2 | 0.5 | 0 | 0 | 112.6 | Q198 R199 W200 L206 | Q198-Q202 VanDerWaalsContact O-CB 3.24Å; Q198-Q202 WeakPolarHBondContact O-CB 3.45Å; Q198-Q202 PolarHBondContact O-N 3.22Å; Q198-Q202 VanDerWaalsContact O-N 3.08Å; R199-Q202 PolarHBondContact O-N 2.91Å; W200-Q202 PolarHBondContact O-N 3.3Å; W200-Q202 VanDerWaalsContact O-N 3.12Å; Q202-L206 HydrophobicContact CG-CD1 4.16Å; Q202-L206 WeakPolarHBondContact O-CB 3.26Å; Q202-L206 WeakPolarHBondContact O-CD1 3.47Å; Q202-L206 WeakPolarHBondContact O-CG 3.26Å; Q202-L206 PolarHBondContact O-N 3.25Å |
| 203 | E | 87.8 | Confident | 83.9 | Confident | 85 Ų | 85 | 91.7 Ų | 91.7 | 40% | 0.397 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70.5 | -44.6 | 179.6 | -74.6 | 164.1 | -163.6 | 0 | 0 | 111 | R199 W200 L206 E207 | R199-E203 IonicContact CZ-OE1 3.62Å; R199-E203 IonicContact NE-OE1 3.93Å; R199-E203 PolarHBondContact NE-OE1 3.47Å; R199-E203 IonicContact NH2-OE1 2.75Å; R199-E203 PolarHBondContact NH2-OE1 3.3Å; R199-E203 VanDerWaalsContact O-CB 3.3Å; R199-E203 WeakPolarHBondContact O-CB 3.39Å; R199-E203 VanDerWaalsContact O-CG 3.22Å; R199-E203 WeakPolarHBondContact O-CG 3.33Å; R199-E203 PolarHBondContact O-N 3.19Å; W200-E203 CarbonylContact O-C 3.52Å; W200-E203 PolarHBondContact O-N 2.95Å; E203-L206 CarbonylContact O-C 3.53Å; E203-L206 PolarHBondContact O-N 3.03Å; E203-E207 PolarHBondContact O-N 3.45Å |
| 204 | D | 90.1 | Very high | 83 | Confident | 94 Ų | 94 | 95.8 Ų | 95.8 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 174.9 | -62.2 | -15.4 | 0 | 0 | 0 | 111.2 | W200 L206 E207 E208 | W200-D204 WeakPolarHBondContact O-CB 3.3Å; W200-D204 PolarHBondContact O-N 2.93Å; D204-L206 VanDerWaalsContact C-N 3.29Å; D204-L206 PolarHBondContact O-N 3.06Å; D204-E207 CarbonylContact O-C 3.59Å; D204-E207 WeakPolarHBondContact O-CA 3.36Å; D204-E207 WeakPolarHBondContact O-CB 3.32Å; D204-E207 PolarHBondContact O-N 3.48Å; D204-E208 PolarHBondContact O-N 3.46Å |
| 205 | L | 86.8 | Confident | 81.7 | Confident | 65 Ų | 65 | 93.5 Ų | 93.5 | 34% | 0.34 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.6 | -34.7 | 177.5 | -174.5 | 70.6 | 0 | 0 | 0 | 112.2 | A201 E207 Q209 V235 | A201-L205 VanDerWaalsContact O-CB 3.3Å; A201-L205 WeakPolarHBondContact O-CB 3.5Å; A201-L205 PolarHBondContact O-N 3.47Å; L205-E207 VanDerWaalsContact C-N 3.32Å; L205-Q209 VanDerWaalsContact O-CB 3.31Å; L205-Q209 WeakPolarHBondContact O-CB 3.47Å; L205-Q209 PolarHBondContact O-N 2.88Å; L205-V235 HydrophobicContact CD2-CB 4.45Å; L205-V235 HydrophobicContact CD2-CG1 3.7Å; L205-V235 HydrophobicContact CD2-CG2 4.14Å |
| 206 | L | 86.6 | Confident | 80.2 | Confident | 60 Ų | 60 | 91.9 Ų | 91.9 | 31% | 0.314 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -74.2 | -22.3 | 173 | -73.1 | 170 | 0 | 0 | 0 | 112.7 | Q202 E203 D204 R210 | Q202-L206 HydrophobicContact CG-CD1 4.16Å; Q202-L206 WeakPolarHBondContact O-CB 3.26Å; Q202-L206 WeakPolarHBondContact O-CD1 3.47Å; Q202-L206 WeakPolarHBondContact O-CG 3.26Å; Q202-L206 PolarHBondContact O-N 3.25Å; E203-L206 CarbonylContact O-C 3.53Å; E203-L206 PolarHBondContact O-N 3.03Å; D204-L206 VanDerWaalsContact C-N 3.29Å; D204-L206 PolarHBondContact O-N 3.06Å; L206-R210 VanDerWaalsContact O-CB 3.29Å; L206-R210 WeakPolarHBondContact O-CB 3.49Å; L206-R210 PolarHBondContact O-N 2.88Å |
| 207 | E | 86.6 | Confident | 78.6 | Confident | 112 Ų | 112 | 90.3 Ų | 90.3 | 52% | 0.523 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -76.7 | -49.8 | 170.3 | -173.6 | 143.6 | -114.6 | 0 | 0 | 110.5 | E203 D204 L205 Q209 R210 E211 | E203-E207 PolarHBondContact O-N 3.45Å; D204-E207 CarbonylContact O-C 3.59Å; D204-E207 WeakPolarHBondContact O-CA 3.36Å; D204-E207 WeakPolarHBondContact O-CB 3.32Å; D204-E207 PolarHBondContact O-N 3.48Å; L205-E207 VanDerWaalsContact C-N 3.32Å; E207-Q209 VanDerWaalsContact C-N 3.31Å; E207-Q209 PolarHBondContact O-N 3.07Å; E207-R210 CarbonylContact O-C 3.56Å; E207-R210 WeakPolarHBondContact O-CA 3.46Å; E207-R210 WeakPolarHBondContact O-CB 3.47Å; E207-R210 PolarHBondContact O-N 3.48Å; E207-E211 HydrophobicContact CG-CG 4.37Å; E207-E211 WeakPolarHBondContact O-CG 3.47Å; E207-E211 PolarHBondContact O-N 2.75Å |
| 208 | E | 83.6 | Confident | 77.1 | Confident | 140 Ų | 140 | 96.6 Ų | 96.6 | 65% | 0.654 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -56.2 | -42.2 | 172.9 | -71.5 | -163.2 | 143.6 | 0 | 0 | 112.4 | D204 R210 E211 G212 | D204-E208 PolarHBondContact O-N 3.46Å; E208-R210 VanDerWaalsContact C-N 3.28Å; E208-R210 PolarHBondContact O-N 2.65Å; E208-E211 PolarHBondContact O-N 3.15Å; E208-G212 WeakPolarHBondContact O-CA 3.36Å; E208-G212 PolarHBondContact O-N 3.35Å |
| 209 | Q | 79.8 | Confident | 75.5 | Confident | 88 Ų | 88 | 99.8 Ų | 99.8 | 41% | 0.411 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.3 | -37 | 175.3 | -168.9 | -172.5 | 48.1 | 0 | 0 | 111.7 | L205 E207 A213 | L205-Q209 VanDerWaalsContact O-CB 3.31Å; L205-Q209 WeakPolarHBondContact O-CB 3.47Å; L205-Q209 PolarHBondContact O-N 2.88Å; E207-Q209 VanDerWaalsContact C-N 3.31Å; E207-Q209 PolarHBondContact O-N 3.07Å; Q209-A213 VanDerWaalsContact O-CB 3.3Å; Q209-A213 WeakPolarHBondContact O-CB 3.23Å; Q209-A213 PolarHBondContact O-N 3.45Å |
| 210 | R | 80.8 | Confident | 73.7 | Confident | 134 Ų | 134 | 99.2 Ų | 99.2 | 51% | 0.506 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -75 | -38.8 | 179.4 | -170.8 | -167.2 | -43.1 | -115.3 | -0.9 | 112.1 | L206 E207 E208 R214 | L206-R210 VanDerWaalsContact O-CB 3.29Å; L206-R210 WeakPolarHBondContact O-CB 3.49Å; L206-R210 PolarHBondContact O-N 2.88Å; E207-R210 CarbonylContact O-C 3.56Å; E207-R210 WeakPolarHBondContact O-CA 3.46Å; E207-R210 WeakPolarHBondContact O-CB 3.47Å; E207-R210 PolarHBondContact O-N 3.48Å; E208-R210 VanDerWaalsContact C-N 3.28Å; E208-R210 PolarHBondContact O-N 2.65Å; R210-R214 VanDerWaalsContact O-CG 3.26Å; R210-R214 WeakPolarHBondContact O-CG 3.46Å; R210-R214 PolarHBondContact O-N 3.03Å |
| 211 | E | 77.4 | Confident | 71.6 | Confident | 118 Ų | 118 | 97.3 Ų | 97.3 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.5 | -43.1 | 172.9 | -63.9 | -138.4 | 130.5 | 0 | 0 | 111.1 | E207 E208 A213 R214 A215 | E207-E211 HydrophobicContact CG-CG 4.37Å; E207-E211 WeakPolarHBondContact O-CG 3.47Å; E207-E211 PolarHBondContact O-N 2.75Å; E208-E211 PolarHBondContact O-N 3.15Å; E211-A213 VanDerWaalsContact C-N 3.34Å; E211-A213 PolarHBondContact O-N 3.31Å; E211-R214 CarbonylContact O-C 3.02Å; E211-R214 PolarHBondContact O-N 2.84Å; E211-A215 WeakPolarHBondContact O-CB 3.34Å; E211-A215 PolarHBondContact O-N 3.35Å |
| 212 | G | 71.3 | Confident | 69.8 | Low | 39 Ų | 39 | 102.4 Ų | 102.4 | 40% | 0.402 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59 | -41.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E208 A215 N216 | E208-G212 WeakPolarHBondContact O-CA 3.36Å; E208-G212 PolarHBondContact O-N 3.35Å; G212-A215 PolarHBondContact O-N 2.89Å; G212-N216 VanDerWaalsContact O-CB 3.27Å; G212-N216 WeakPolarHBondContact O-CB 3.39Å; G212-N216 PolarHBondContact O-N 3Å |
| 213 | A | 66.9 | Low | 67.6 | Low | 52 Ų | 52 | 107.8 Ų | 107.8 | 43% | 0.43 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q209 E211 A215 N216 D217 | Q209-A213 VanDerWaalsContact O-CB 3.3Å; Q209-A213 WeakPolarHBondContact O-CB 3.23Å; Q209-A213 PolarHBondContact O-N 3.45Å; E211-A213 VanDerWaalsContact C-N 3.34Å; E211-A213 PolarHBondContact O-N 3.31Å; A213-A215 VanDerWaalsContact C-N 3.31Å; A213-A215 PolarHBondContact O-N 3.42Å; A213-N216 CarbonylContact O-C 3.56Å; A213-N216 PolarHBondContact O-N 3.43Å; A213-N216 VanDerWaalsContact O-N 3.12Å; A213-D217 PolarHBondContact O-N 3.22Å |
| 214 | R | 63.4 | Low | 65.5 | Low | 155 Ų | 155 | 107.7 Ų | 107.7 | 59% | 0.585 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.9 | -33.8 | 175.7 | -72.4 | 167 | 172.6 | 177.6 | -2.1 | 113.1 | R210 E211 | R210-R214 VanDerWaalsContact O-CG 3.26Å; R210-R214 WeakPolarHBondContact O-CG 3.46Å; R210-R214 PolarHBondContact O-N 3.03Å; E211-R214 CarbonylContact O-C 3.02Å; E211-R214 PolarHBondContact O-N 2.84Å |
| 215 | A | 59.9 | Low | 63.2 | Low | 60 Ų | 60 | 105.8 Ų | 105.8 | 50% | 0.496 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -72.3 | -36.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E211 G212 A213 K218 | E211-A215 WeakPolarHBondContact O-CB 3.34Å; E211-A215 PolarHBondContact O-N 3.35Å; G212-A215 PolarHBondContact O-N 2.89Å; A213-A215 VanDerWaalsContact C-N 3.31Å; A213-A215 PolarHBondContact O-N 3.42Å; A215-K218 PolarHBondContact O-N 2.88Å |
| 216 | N | 53.2 | Low | 61.3 | Low | 63 Ų | 63 | 109.2 Ų | 109.2 | 34% | 0.337 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72.3 | -31 | 177.1 | -159.6 | 12.3 | 0 | 0 | 0 | 112.2 | G212 A213 K218 K219 K220 | G212-N216 VanDerWaalsContact O-CB 3.27Å; G212-N216 WeakPolarHBondContact O-CB 3.39Å; G212-N216 PolarHBondContact O-N 3Å; A213-N216 CarbonylContact O-C 3.56Å; A213-N216 PolarHBondContact O-N 3.43Å; A213-N216 VanDerWaalsContact O-N 3.12Å; N216-K218 VanDerWaalsContact C-N 3.26Å; N216-K218 PolarHBondContact O-N 2.89Å; N216-K219 CarbonylContact O-C 3.55Å; N216-K219 WeakPolarHBondContact O-CA 3.24Å; N216-K219 PolarHBondContact O-N 3.5Å; N216-K220 WeakPolarHBondContact O-CB 3.44Å; N216-K220 WeakPolarHBondContact O-CG 3.43Å; N216-K220 PolarHBondContact O-N 2.94Å |
| 217 | D | 51.5 | Low | 59.2 | Low | 107 Ų | 107 | 113.9 Ų | 113.9 | 57% | 0.572 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -61.2 | -33.2 | 172 | -80.5 | -32.1 | 0 | 0 | 0 | 112.7 | A213 K219 | A213-D217 PolarHBondContact O-N 3.22Å; D217-K219 PolarHBondContact O-N 3.02Å |
| 218 | K | 55 | Low | 57.4 | Low | 188 Ų | 188 | 113.6 Ų | 113.6 | 82% | 0.817 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -17.8 | 170.8 | -66.7 | 179.1 | -179.5 | 173.8 | 0 | 113.4 | A215 N216 | A215-K218 PolarHBondContact O-N 2.88Å; N216-K218 VanDerWaalsContact C-N 3.26Å; N216-K218 PolarHBondContact O-N 2.89Å |
| 219 | K | 51.4 | Low | 55.8 | Low | 165 Ų | 165 | 116.2 Ų | 116.2 | 72% | 0.717 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -27.3 | -177.6 | -128.7 | 175.5 | -177 | 178.3 | 0 | 113.4 | N216 D217 S221 I222 | N216-K219 CarbonylContact O-C 3.55Å; N216-K219 WeakPolarHBondContact O-CA 3.24Å; N216-K219 PolarHBondContact O-N 3.5Å; D217-K219 PolarHBondContact O-N 3.02Å; K219-S221 PolarHBondContact O-N 2.78Å; K219-I222 PolarHBondContact O-N 3.48Å |
| 220 | K | 47.7 | Very low | 54.6 | Low | 117 Ų | 117 | 116.4 Ų | 116.4 | 51% | 0.509 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.8 | -12.8 | 177.2 | -85.7 | -179.4 | 175.8 | 174.8 | 0 | 114.4 | N216 I222 | N216-K220 WeakPolarHBondContact O-CB 3.44Å; N216-K220 WeakPolarHBondContact O-CG 3.43Å; N216-K220 PolarHBondContact O-N 2.94Å; K220-I222 PolarHBondContact O-N 2.99Å |
| 221 | S | 48 | Very low | 53.4 | Low | 109 Ų | 109 | 114.6 Ų | 114.6 | 76% | 0.762 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -8.5 | 170.7 | -169.5 | 0 | 0 | 0 | 0 | 114.1 | K219 | K219-S221 PolarHBondContact O-N 2.78Š|
| 222 | I | 51.3 | Low | 52.3 | Low | 151 Ų | 151 | 111.9 Ų | 111.9 | 77% | 0.774 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.6 | -24.6 | -171.6 | -70.1 | -179.2 | 0 | 0 | 0 | 115.1 | K219 K220 | K219-I222 PolarHBondContact O-N 3.48Å; K220-I222 PolarHBondContact O-N 2.99Å |
| 223 | M | 40.3 | Very low | 51.7 | Low | 161 Ų | 161 | 117.5 Ų | 117.5 | 79% | 0.793 | 66% | 0.655 | S | S | * | * | trans | -148.8 | 119.7 | 176.6 | -157.9 | 168.1 | -75.9 | 0 | 0 | 112.6 | ||||
| 224 | G | 43.6 | Very low | 51.5 | Low | 84 Ų | 84 | 118.3 Ų | 118.3 | 87% | 0.866 | 65% | 0.652 | S | S | * | * | trans | -86.3 | 131.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 225 | G | 40.9 | Very low | 51.2 | Low | 53 Ų | 53 | 111.5 Ų | 111.5 | 55% | 0.546 | 63% | 0.628 | S | S | . | * | trans | -173.6 | 140.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L227 | G225-L227 PolarHBondContact O-N 2.76Š| ||
| 226 | P | 47 | Very low | 51.3 | Low | 138 Ų | 138 | 112 Ų | 112 | 90% | 0.896 | 62% | 0.622 | S | S | * | * | trans | -79.6 | 120.7 | 178 | 31.5 | -31.5 | 0 | 0 | 0 | 110.2 | ||||
| 227 | L | 43.4 | Very low | 51.9 | Low | 157 Ų | 157 | 111.7 Ų | 111.7 | 82% | 0.822 | 63% | 0.625 | S | S | * | * | trans | -117.2 | 124.5 | 163.4 | -91.8 | 159.5 | 0 | 0 | 0 | 107 | G225 | G225-L227 PolarHBondContact O-N 2.76Š| ||
| 228 | S | 48.3 | Very low | 52.5 | Low | 107 Ų | 107 | 111 Ų | 111 | 75% | 0.748 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 147.8 | -162.8 | -54.7 | 0 | 0 | 0 | 0 | 114.5 | L230 | S228-L230 PolarHBondContact O-N 2.92Š|
| 229 | E | 51.5 | Low | 52.6 | Low | 195 Ų | 195 | 104.6 Ų | 104.6 | 91% | 0.911 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 125 | 146.6 | -69.8 | 172 | 124.7 | 0 | 0 | 108.1 | ||
| 230 | L | 53.8 | Low | 53.1 | Low | 92 Ų | 92 | 102.7 Ų | 102.7 | 48% | 0.482 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -87.2 | 132.1 | 168.1 | -80.2 | 154.8 | 0 | 0 | 0 | 108.1 | S228 D234 | S228-L230 PolarHBondContact O-N 2.92Å; L230-D234 HydrophobicContact CB-CB 4.46Å; L230-D234 HydrophobicContact CD2-CB 3.82Å |
| 231 | D | 54.6 | Low | 53.6 | Low | 95 Ų | 95 | 103.6 Ų | 103.6 | 51% | 0.508 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -75 | 156.5 | -178.8 | -169 | -2.3 | 0 | 0 | 0 | 109.7 | K233 D234 V235 | D231-K233 PolarHBondContact O-N 2.95Å; D231-D234 PolarHBondContact N-OD2 2.93Å; D231-D234 WeakPolarHBondContact O-CB 3.44Å; D231-D234 PolarHBondContact O-N 3.47Å; D231-V235 PolarHBondContact O-N 3.4Å |
| 232 | A | 55.9 | Low | 53.5 | Low | 61 Ų | 61 | 100.7 Ų | 100.7 | 50% | 0.504 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.4 | -17 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D236 | A232-D236 PolarHBondContact O-N 3.32Å |
| 233 | K | 57.4 | Low | 53.3 | Low | 158 Ų | 158 | 100 Ų | 100 | 69% | 0.687 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -76.4 | -33.5 | 172.5 | -66.6 | 174 | -177.6 | 166.3 | 0 | 113.1 | D231 V235 D236 S237 | D231-K233 PolarHBondContact O-N 2.95Å; K233-V235 VanDerWaalsContact C-N 3.31Å; K233-D236 PolarHBondContact O-N 3.2Å; K233-S237 PolarHBondContact O-N 2.78Å; K233-S237 VanDerWaalsContact O-N 3.17Å |
| 234 | D | 62.4 | Low | 53.7 | Low | 68 Ų | 68 | 96.8 Ų | 96.8 | 36% | 0.364 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.4 | -36 | 177.7 | -60.9 | -42.3 | 0 | 0 | 0 | 110 | L230 D231 S237 L238 | L230-D234 HydrophobicContact CB-CB 4.46Å; L230-D234 HydrophobicContact CD2-CB 3.82Å; D231-D234 PolarHBondContact N-OD2 2.93Å; D231-D234 WeakPolarHBondContact O-CB 3.44Å; D231-D234 PolarHBondContact O-N 3.47Å; D234-S237 PolarHBondContact O-N 3.34Å; D234-S237 PolarHBondContact O-OG 2.97Å; D234-L238 WeakPolarHBondContact O-CB 3.08Å; D234-L238 WeakPolarHBondContact O-CG 3.47Å; D234-L238 PolarHBondContact O-N 3.42Å |
| 235 | V | 58.6 | Low | 53.7 | Low | 13 Ų | 13 | 99.9 Ų | 99.9 | 8% | 0.079 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -58 | -48.7 | 171.2 | 169.2 | 0 | 0 | 0 | 0 | 112.3 | L205 D231 K233 S237 L238 L239 | L205-V235 HydrophobicContact CD2-CB 4.45Å; L205-V235 HydrophobicContact CD2-CG1 3.7Å; L205-V235 HydrophobicContact CD2-CG2 4.14Å; D231-V235 PolarHBondContact O-N 3.4Å; K233-V235 VanDerWaalsContact C-N 3.31Å; V235-S237 PolarHBondContact O-N 3.12Å; V235-L238 PolarHBondContact O-N 3.38Å; V235-L239 HydrophobicContact CG1-CD1 3.99Å; V235-L239 WeakPolarHBondContact O-CG 3.25Å; V235-L239 PolarHBondContact O-N 3.42Å |
| 236 | D | 61.3 | Low | 53.8 | Low | 70 Ų | 70 | 104.9 Ų | 104.9 | 37% | 0.374 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.5 | -34 | 176.9 | -164.1 | 88.4 | 0 | 0 | 0 | 111.7 | A232 K233 K240 | A232-D236 PolarHBondContact O-N 3.32Å; K233-D236 PolarHBondContact O-N 3.2Å; D236-K240 PolarHBondContact O-N 2.88Å; D236-K240 IonicContact OD2-NZ 3.31Å; D236-K240 PolarHBondContact OD2-NZ 3.48Å |
| 237 | S | 66.6 | Low | 53.6 | Low | 57 Ų | 57 | 104.6 Ų | 104.6 | 40% | 0.399 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -74.2 | -32.5 | 176.1 | 86.9 | 0 | 0 | 0 | 0 | 113.7 | K233 D234 V235 K241 | K233-S237 PolarHBondContact O-N 2.78Å; K233-S237 VanDerWaalsContact O-N 3.17Å; D234-S237 PolarHBondContact O-N 3.34Å; D234-S237 PolarHBondContact O-OG 2.97Å; V235-S237 PolarHBondContact O-N 3.12Å; S237-K241 PolarHBondContact O-N 3.12Å; S237-K241 VanDerWaalsContact O-N 3.15Å |
| 238 | L | 62.3 | Low | 53.5 | Low | 91 Ų | 91 | 100.7 Ų | 100.7 | 48% | 0.476 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72.8 | -41.7 | 176.6 | -83.8 | 162.3 | 0 | 0 | 0 | 111.2 | D234 V235 K241 S242 | D234-L238 WeakPolarHBondContact O-CB 3.08Å; D234-L238 WeakPolarHBondContact O-CG 3.47Å; D234-L238 PolarHBondContact O-N 3.42Å; V235-L238 PolarHBondContact O-N 3.38Å; L238-K241 CarbonylContact O-C 3.48Å; L238-K241 WeakPolarHBondContact O-CA 3.42Å; L238-K241 WeakPolarHBondContact O-CB 3.49Å; L238-K241 PolarHBondContact O-N 3Å; L238-K241 VanDerWaalsContact O-N 3.1Å; L238-S242 PolarHBondContact O-N 3.05Å; L238-S242 PolarHBondContact O-OG 3.46Å |
| 239 | L | 58.9 | Low | 53.4 | Low | 55 Ų | 55 | 99.6 Ų | 99.6 | 29% | 0.288 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 175.1 | -72 | 166.6 | 0 | 0 | 0 | 111.9 | V235 K241 S242 E243 | V235-L239 HydrophobicContact CG1-CD1 3.99Å; V235-L239 WeakPolarHBondContact O-CG 3.25Å; V235-L239 PolarHBondContact O-N 3.42Å; L239-K241 VanDerWaalsContact C-N 3.25Å; L239-K241 PolarHBondContact O-N 3.37Å; L239-S242 PolarHBondContact O-N 2.67Å; L239-S242 PolarHBondContact O-OG 2.97Å; L239-E243 PolarHBondContact O-N 3.1Å |
| 240 | K | 60.6 | Low | 53.3 | Low | 125 Ų | 125 | 100.2 Ų | 100.2 | 54% | 0.543 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.7 | -29.4 | 172 | -79.7 | 170.6 | 178.8 | 142 | 0 | 113.5 | D236 S244 | D236-K240 PolarHBondContact O-N 2.88Å; D236-K240 IonicContact OD2-NZ 3.31Å; D236-K240 PolarHBondContact OD2-NZ 3.48Å; K240-S244 PolarHBondContact O-N 3.33Å; K240-S244 PolarHBondContact O-OG 2.78Å |
| 241 | K | 58 | Low | 53.1 | Low | 135 Ų | 135 | 101.9 Ų | 101.9 | 59% | 0.587 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -75.1 | -40.5 | 173.8 | -92.8 | 178.8 | 172.1 | 177.3 | 0 | 112.3 | S237 L238 L239 S244 Q245 | S237-K241 PolarHBondContact O-N 3.12Å; S237-K241 VanDerWaalsContact O-N 3.15Å; L238-K241 CarbonylContact O-C 3.48Å; L238-K241 WeakPolarHBondContact O-CA 3.42Å; L238-K241 WeakPolarHBondContact O-CB 3.49Å; L238-K241 PolarHBondContact O-N 3Å; L238-K241 VanDerWaalsContact O-N 3.1Å; L239-K241 VanDerWaalsContact C-N 3.25Å; L239-K241 PolarHBondContact O-N 3.37Å; K241-S244 WeakPolarHBondContact CA-OG 3.37Å; K241-S244 CarbonylContact O-C 3.59Å; K241-S244 PolarHBondContact O-N 2.88Å; K241-S244 PolarHBondContact O-OG 2.92Å; K241-Q245 PolarHBondContact O-N 2.73Å; K241-Q245 VanDerWaalsContact O-N 3.14Å |
| 242 | S | 46.7 | Very low | 53.2 | Low | 48 Ų | 48 | 101.1 Ų | 101.1 | 34% | 0.336 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68 | -38.9 | 176.8 | 62 | 0 | 0 | 0 | 0 | 111.8 | L238 L239 S244 Q245 H246 | L238-S242 PolarHBondContact O-N 3.05Å; L238-S242 PolarHBondContact O-OG 3.46Å; L239-S242 PolarHBondContact O-N 2.67Å; L239-S242 PolarHBondContact O-OG 2.97Å; S242-S244 PolarHBondContact O-N 3.45Å; S242-Q245 CarbonylContact O-C 3.58Å; S242-Q245 PolarHBondContact O-N 2.98Å; S242-H246 WeakPolarHBondContact O-CB 3.46Å; S242-H246 PolarHBondContact O-N 3.3Å |
| 243 | E | 47.7 | Very low | 53.6 | Low | 138 Ų | 138 | 100.3 Ų | 100.3 | 65% | 0.645 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -54.9 | -36.2 | 169.8 | -77.4 | -179.6 | 153.4 | 0 | 0 | 112.2 | L239 | L239-E243 PolarHBondContact O-N 3.1Å |
| 244 | S | 47.4 | Very low | 54.3 | Low | 92 Ų | 92 | 95.2 Ų | 95.2 | 64% | 0.643 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -2.2 | 175.6 | 64.1 | 0 | 0 | 0 | 0 | 115.6 | K240 K241 S242 | K240-S244 PolarHBondContact O-N 3.33Å; K240-S244 PolarHBondContact O-OG 2.78Å; K241-S244 WeakPolarHBondContact CA-OG 3.37Å; K241-S244 CarbonylContact O-C 3.59Å; K241-S244 PolarHBondContact O-N 2.88Å; K241-S244 PolarHBondContact O-OG 2.92Å; S242-S244 PolarHBondContact O-N 3.45Å |
| 245 | Q | 44.4 | Very low | 55 | Low | 150 Ų | 150 | 94 Ų | 94 | 70% | 0.701 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.6 | -1.6 | 176.9 | -67.9 | -163.3 | -65.7 | 0 | 0 | 114.2 | K241 S242 E247 | K241-Q245 PolarHBondContact O-N 2.73Å; K241-Q245 VanDerWaalsContact O-N 3.14Å; S242-Q245 CarbonylContact O-C 3.58Å; S242-Q245 PolarHBondContact O-N 2.98Å; Q245-E247 PolarHBondContact O-N 3.49Å |
| 246 | H | 42.2 | Very low | 55.9 | Low | 158 Ų | 158 | 93.9 Ų | 93.9 | 73% | 0.731 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 35.7 | -177.4 | -125 | -66.7 | 0 | 0 | 0 | 114.9 | S242 | S242-H246 WeakPolarHBondContact O-CB 3.46Å; S242-H246 PolarHBondContact O-N 3.3Å |
| 247 | E | 42.5 | Very low | 56.7 | Low | 131 Ų | 131 | 95 Ų | 95 | 61% | 0.612 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | 9.2 | -176.7 | -96.2 | -78.5 | 150.2 | 0 | 0 | 112.8 | Q245 R309 | Q245-E247 PolarHBondContact O-N 3.49Å; E247-R309 PolarHBondContact O-NH2 2.94Å; E247-R309 IonicContact OE2-CZ 2.74Å; E247-R309 IonicContact OE2-NH1 2.66Å; E247-R309 PolarHBondContact OE2-NH1 2.81Å; E247-R309 IonicContact OE2-NH2 3.68Å; E247-R309 PolarHBondContact OE2-NH2 3.36Å |
| 248 | A | 41.9 | Very low | 57.4 | Low | 76 Ų | 76 | 94.2 Ų | 94.2 | 63% | 0.628 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -130.7 | 116.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 249 | P | 47.6 | Very low | 58.4 | Low | 83 Ų | 83 | 90.2 Ų | 90.2 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | trans | -74.9 | 126.3 | 171.3 | -9.2 | 25.4 | 0 | 0 | 0 | 110.2 | D251 | P249-D251 PolarHBondContact O-N 3.48Š| ||
| 250 | E | 48.6 | Very low | 59.5 | Low | 209 Ų | 209 | 90.5 Ų | 90.5 | 98% | 0.977 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -82.3 | 32.9 | 161.4 | -73.4 | -143.9 | 134.2 | 0 | 0 | 111.9 | ||
| 251 | D | 50.3 | Low | 60.6 | Low | 126 Ų | 126 | 93.9 Ų | 93.9 | 67% | 0.674 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -124.8 | 140.7 | 171.9 | -151.5 | -16.4 | 0 | 0 | 0 | 108.9 | P249 C253 | P249-D251 PolarHBondContact O-N 3.48Å; D251-C253 PolarHBondContact O-N 3.38Å |
| 252 | G | 56.3 | Low | 61.8 | Low | 79 Ų | 79 | 90.8 Ų | 90.8 | 81% | 0.814 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -68.1 | 9.2 | -158.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 253 | C | 64.4 | Low | 63.4 | Low | 45 Ų | 45 | 91.6 Ų | 91.6 | 30% | 0.304 | 50% | 0.499 | S | S | . | . | trans | -92.4 | 123 | -176.1 | -167 | 0 | 0 | 0 | 0 | 111.4 | D251 F255 Q260 | D251-C253 PolarHBondContact O-N 3.38Å; C253-F255 PolarHBondContact O-N 2.86Å; C253-Q260 HydrophobicContact CB-CG 4.39Å | ||
| 254 | P | 71.2 | Confident | 64.9 | Low | 51 Ų | 51 | 90 Ų | 90 | 33% | 0.331 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -75.1 | -9.8 | -176.7 | 32.8 | -38.4 | 0 | 0 | 0 | 114 | T308 | P254-T308 HydrophobicContact CB-CG2 4.03Å; P254-T308 WeakPolarHBondContact O-CB 3.29Å; P254-T308 WeakPolarHBondContact O-CG2 3.28Å; P254-T308 PolarHBondContact O-OG1 3.14Å |
| 255 | F | 77.1 | Confident | 66.3 | Low | 43 Ų | 43 | 87.7 Ų | 87.7 | 19% | 0.189 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -87.4 | 150.1 | -179.5 | -56 | -63.6 | 0 | 0 | 0 | 111 | C253 T259 Q260 L263 V305 T308 L311 | C253-F255 PolarHBondContact O-N 2.86Å; F255-T259 HydrophobicContact CB-CG2 3.84Å; F255-T259 HydrophobicContact CD1-CG2 3.89Å; F255-T259 HydrophobicContact CG-CG2 3.9Å; F255-Q260 HydrophobicContact CB-CG 4.18Å; F255-Q260 WeakPolarHBondContact O-CG 3.4Å; F255-Q260 PolarHBondContact O-NE2 3.36Å; F255-L263 HydrophobicContact CD2-CD1 3.53Å; F255-L263 HydrophobicContact CE2-CD1 3.74Å; F255-L263 HydrophobicContact CG-CD1 4.19Å; F255-V305 HydrophobicContact CE1-CB 4.3Å; F255-V305 HydrophobicContact CE1-CG2 4.21Å; F255-V305 HydrophobicContact CZ-CG2 4Å; F255-T308 HydrophobicContact CD1-CG2 3.82Å; F255-T308 HydrophobicContact CE1-CG2 4.07Å; F255-L311 HydrophobicContact CD1-CD2 4.17Å; F255-L311 HydrophobicContact CE1-CD2 3.93Å |
| 256 | G | 77.6 | Confident | 68 | Low | 10 Ų | 10 | 83.7 Ų | 83.7 | 10% | 0.103 | 46% | 0.461 | C | S | . | . | trans | -81.8 | 172.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L258 T259 Q260 E312 | G256-L258 VanDerWaalsContact C-N 3.31Å; G256-L258 PolarHBondContact O-N 3.4Å; G256-L258 VanDerWaalsContact O-N 3.17Å; G256-T259 PolarHBondContact O-N 2.72Å; G256-Q260 WeakPolarHBondContact O-CG 3.5Å; G256-Q260 PolarHBondContact O-N 2.91Å; G256-E312 VanDerWaalsContact CA-OE1 3.23Å; G256-E312 WeakPolarHBondContact CA-OE1 3.34Å; G256-E312 WeakPolarHBondContact CA-OE2 3.21Å | ||
| 257 | P | 78.3 | Confident | 69.5 | Low | 92 Ų | 92 | 78.4 Ų | 78.4 | 60% | 0.597 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -57.3 | -35 | -164.7 | -26.3 | 35.2 | 0 | 0 | 0 | 115.3 | R261 E312 | P257-R261 WeakPolarHBondContact O-CB 3.5Å; P257-R261 PolarHBondContact O-N 2.88Å; P257-E312 WeakPolarHBondContact CD-OE1 3.03Å; P257-E312 VanDerWaalsContact N-OE1 3.12Å |
| 258 | L | 80.6 | Confident | 70.9 | Confident | 41 Ų | 41 | 78.3 Ų | 78.3 | 22% | 0.215 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -67.1 | -46.2 | 178.4 | 172.9 | 62 | 0 | 0 | 0 | 110.3 | G256 R261 L262 E312 I315 K316 L319 | G256-L258 VanDerWaalsContact C-N 3.31Å; G256-L258 PolarHBondContact O-N 3.4Å; G256-L258 VanDerWaalsContact O-N 3.17Å; L258-R261 PolarHBondContact O-N 3.08Å; L258-L262 HydrophobicContact CD1-CD1 4.18Å; L258-L262 HydrophobicContact CG-CD1 4.19Å; L258-L262 WeakPolarHBondContact O-CG 3.48Å; L258-L262 PolarHBondContact O-N 2.72Å; L258-L262 VanDerWaalsContact O-N 3.12Å; L258-E312 HydrophobicContact CB-CG 4.29Å; L258-E312 PolarHBondContact N-OE1 2.66Å; L258-E312 VanDerWaalsContact N-OE1 3.08Å; L258-I315 HydrophobicContact CD2-CG2 4.2Å; L258-I315 HydrophobicContact CG-CG2 4.45Å; L258-K316 HydrophobicContact CD2-CB 3.76Å; L258-K316 HydrophobicContact CD2-CG 4.23Å; L258-L319 HydrophobicContact CD1-CD1 4.41Å |
| 259 | T | 84 | Confident | 72.1 | Confident | 8 Ų | 8 | 81.6 Ų | 81.6 | 5% | 0.049 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -70.1 | -37.3 | -178.5 | -54.7 | 0 | 0 | 0 | 0 | 110.9 | F255 G256 L262 L263 I315 | F255-T259 HydrophobicContact CB-CG2 3.84Å; F255-T259 HydrophobicContact CD1-CG2 3.89Å; F255-T259 HydrophobicContact CG-CG2 3.9Å; G256-T259 PolarHBondContact O-N 2.72Å; T259-L262 PolarHBondContact O-N 2.88Å; T259-L263 HydrophobicContact CG2-CD1 4.18Å; T259-L263 WeakPolarHBondContact O-CG 3.26Å; T259-L263 PolarHBondContact O-N 3.32Å; T259-I315 HydrophobicContact CG2-CD1 3.99Å |
| 260 | Q | 83.3 | Confident | 73 | Confident | 61 Ų | 61 | 83.9 Ų | 83.9 | 29% | 0.285 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.7 | -48.3 | 172.4 | -69.7 | -176.5 | 12.1 | 0 | 0 | 112 | C253 F255 G256 L262 L263 Q264 | C253-Q260 HydrophobicContact CB-CG 4.39Å; F255-Q260 HydrophobicContact CB-CG 4.18Å; F255-Q260 WeakPolarHBondContact O-CG 3.4Å; F255-Q260 PolarHBondContact O-NE2 3.36Å; G256-Q260 WeakPolarHBondContact O-CG 3.5Å; G256-Q260 PolarHBondContact O-N 2.91Å; Q260-L262 VanDerWaalsContact C-N 3.33Å; Q260-L262 PolarHBondContact O-N 3.47Å; Q260-L263 PolarHBondContact O-N 3Å; Q260-Q264 WeakPolarHBondContact O-CB 3.34Å; Q260-Q264 PolarHBondContact O-N 3.38Å |
| 261 | R | 81.8 | Confident | 73.8 | Confident | 196 Ų | 196 | 79.5 Ų | 79.5 | 74% | 0.74 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.9 | -39.4 | 179.3 | -176.2 | 177.2 | -69.7 | 150.7 | -0.3 | 112.4 | P257 L258 Q264 A265 | P257-R261 WeakPolarHBondContact O-CB 3.5Å; P257-R261 PolarHBondContact O-N 2.88Å; L258-R261 PolarHBondContact O-N 3.08Å; R261-Q264 PolarHBondContact O-N 3.06Å; R261-A265 PolarHBondContact O-N 3.15Å |
| 262 | L | 83.1 | Confident | 74.4 | Confident | 69 Ų | 69 | 77 Ų | 77 | 36% | 0.361 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 175.6 | -69.4 | 166.1 | 0 | 0 | 0 | 111.9 | L258 T259 Q260 A265 L266 I315 L319 | L258-L262 HydrophobicContact CD1-CD1 4.18Å; L258-L262 HydrophobicContact CG-CD1 4.19Å; L258-L262 WeakPolarHBondContact O-CG 3.48Å; L258-L262 PolarHBondContact O-N 2.72Å; L258-L262 VanDerWaalsContact O-N 3.12Å; T259-L262 PolarHBondContact O-N 2.88Å; Q260-L262 VanDerWaalsContact C-N 3.33Å; Q260-L262 PolarHBondContact O-N 3.47Å; L262-A265 PolarHBondContact O-N 3.26Å; L262-L266 VanDerWaalsContact O-CG 3.32Å; L262-L266 WeakPolarHBondContact O-CG 3.46Å; L262-L266 PolarHBondContact O-N 3.13Å; L262-L266 VanDerWaalsContact O-N 3.12Å; L262-I315 HydrophobicContact CD1-CG2 3.51Å; L262-L319 HydrophobicContact CD1-CD1 4.08Å |
| 263 | L | 80.4 | Confident | 74.2 | Confident | 66 Ų | 66 | 77.6 Ų | 77.6 | 35% | 0.346 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 175.5 | -72.9 | 168 | 0 | 0 | 0 | 111.8 | F255 T259 Q260 L266 V267 | F255-L263 HydrophobicContact CD2-CD1 3.53Å; F255-L263 HydrophobicContact CE2-CD1 3.74Å; F255-L263 HydrophobicContact CG-CD1 4.19Å; T259-L263 HydrophobicContact CG2-CD1 4.18Å; T259-L263 WeakPolarHBondContact O-CG 3.26Å; T259-L263 PolarHBondContact O-N 3.32Å; Q260-L263 PolarHBondContact O-N 3Å; L263-L266 PolarHBondContact O-N 2.92Å; L263-V267 WeakPolarHBondContact O-CG2 3.42Å; L263-V267 PolarHBondContact O-N 3.46Å; L263-V267 VanDerWaalsContact O-N 3.08Å |
| 264 | Q | 79.3 | Confident | 73.6 | Confident | 103 Ų | 103 | 79.4 Ų | 79.4 | 48% | 0.481 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.6 | -47.7 | 176.4 | -178.3 | 62.4 | 22.3 | 0 | 0 | 111.6 | Q260 R261 L266 V267 E268 | Q260-Q264 WeakPolarHBondContact O-CB 3.34Å; Q260-Q264 PolarHBondContact O-N 3.38Å; R261-Q264 PolarHBondContact O-N 3.06Å; Q264-L266 VanDerWaalsContact C-N 3.31Å; Q264-L266 PolarHBondContact O-N 2.78Å; Q264-V267 PolarHBondContact O-N 2.92Å; Q264-V267 VanDerWaalsContact O-N 3.11Å; Q264-E268 WeakPolarHBondContact CG-OE1 3.47Å; Q264-E268 PolarHBondContact NE2-OE1 2.85Å; Q264-E268 WeakPolarHBondContact O-CG 3.39Å; Q264-E268 PolarHBondContact O-N 2.81Å |
| 265 | A | 78.1 | Confident | 72.7 | Confident | 45 Ų | 45 | 85.9 Ų | 85.9 | 37% | 0.372 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.6 | -38.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R261 L262 V267 E268 E269 | R261-A265 PolarHBondContact O-N 3.15Å; L262-A265 PolarHBondContact O-N 3.26Å; A265-V267 VanDerWaalsContact C-N 3.3Å; A265-V267 PolarHBondContact O-N 3.13Å; A265-E268 PolarHBondContact O-N 2.83Å; A265-E269 WeakPolarHBondContact O-CB 3.18Å; A265-E269 WeakPolarHBondContact O-CG 3.43Å; A265-E269 PolarHBondContact O-N 3.31Å |
| 266 | L | 78.9 | Confident | 71.1 | Confident | 65 Ų | 65 | 91.7 Ų | 91.7 | 34% | 0.34 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.1 | -27.2 | 176.2 | -68.6 | 169.9 | 0 | 0 | 0 | 113.4 | L262 L263 Q264 I271 I272 | L262-L266 VanDerWaalsContact O-CG 3.32Å; L262-L266 WeakPolarHBondContact O-CG 3.46Å; L262-L266 PolarHBondContact O-N 3.13Å; L262-L266 VanDerWaalsContact O-N 3.12Å; L263-L266 PolarHBondContact O-N 2.92Å; Q264-L266 VanDerWaalsContact C-N 3.31Å; Q264-L266 PolarHBondContact O-N 2.78Å; L266-I271 HydrophobicContact CD2-CB 4.2Å; L266-I271 HydrophobicContact CD2-CD1 3.87Å; L266-I271 HydrophobicContact CD2-CG2 4.08Å; L266-I271 WeakPolarHBondContact O-CB 3.47Å; L266-I271 PolarHBondContact O-N 3.16Å; L266-I272 HydrophobicContact CB-CD1 4Å; L266-I272 HydrophobicContact CB-CG1 4.28Å; L266-I272 HydrophobicContact CD1-CD1 4.06Å; L266-I272 PolarHBondContact O-N 3.06Å; L266-I272 VanDerWaalsContact O-N 3.15Å |
| 267 | V | 75.3 | Confident | 69.6 | Low | 48 Ų | 48 | 99.2 Ų | 99.2 | 29% | 0.291 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -78.4 | -43.1 | 173.1 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | L263 Q264 A265 E269 N270 P274 | L263-V267 WeakPolarHBondContact O-CG2 3.42Å; L263-V267 PolarHBondContact O-N 3.46Å; L263-V267 VanDerWaalsContact O-N 3.08Å; Q264-V267 PolarHBondContact O-N 2.92Å; Q264-V267 VanDerWaalsContact O-N 3.11Å; A265-V267 VanDerWaalsContact C-N 3.3Å; A265-V267 PolarHBondContact O-N 3.13Å; V267-E269 VanDerWaalsContact C-N 3.33Å; V267-E269 PolarHBondContact O-N 3.41Å; V267-N270 PolarHBondContact O-N 3.23Å; V267-P274 HydrophobicContact CG1-CG 3.94Å |
| 268 | E | 70.6 | Confident | 67.4 | Low | 128 Ų | 128 | 98.6 Ų | 98.6 | 60% | 0.598 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.7 | -39.8 | 176.9 | -73.6 | 173.7 | -174.1 | 0 | 0 | 112.2 | Q264 A265 N270 | Q264-E268 WeakPolarHBondContact CG-OE1 3.47Å; Q264-E268 PolarHBondContact NE2-OE1 2.85Å; Q264-E268 WeakPolarHBondContact O-CG 3.39Å; Q264-E268 PolarHBondContact O-N 2.81Å; A265-E268 PolarHBondContact O-N 2.83Å; E268-N270 PolarHBondContact O-N 3.01Å |
| 269 | E | 67.4 | Low | 65.5 | Low | 146 Ų | 146 | 102.3 Ų | 102.3 | 68% | 0.682 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 8 | 175.1 | -66.7 | -66.9 | 149.7 | 0 | 0 | 113.9 | A265 V267 I271 | A265-E269 WeakPolarHBondContact O-CB 3.18Å; A265-E269 WeakPolarHBondContact O-CG 3.43Å; A265-E269 PolarHBondContact O-N 3.31Å; V267-E269 VanDerWaalsContact C-N 3.33Å; V267-E269 PolarHBondContact O-N 3.41Å; E269-I271 HydrophobicContact CB-CD1 3.83Å; E269-I271 HydrophobicContact CB-CG1 4.01Å; E269-I271 PolarHBondContact O-N 2.89Å; E269-I271 VanDerWaalsContact O-N 3.08Å |
| 270 | N | 65.6 | Low | 63.4 | Low | 130 Ų | 130 | 109.6 Ų | 109.6 | 70% | 0.695 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.5 | 18.2 | -176.2 | -82 | -75.5 | 0 | 0 | 0 | 115.5 | V267 E268 I272 | V267-N270 PolarHBondContact O-N 3.23Å; E268-N270 PolarHBondContact O-N 3.01Å; N270-I272 VanDerWaalsContact C-N 3.3Å |
| 271 | I | 67.1 | Low | 61.1 | Low | 118 Ų | 118 | 111.9 Ų | 111.9 | 61% | 0.605 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -72.5 | -29 | 179.2 | -62.9 | 167.6 | 0 | 0 | 0 | 110.7 | L266 E269 | L266-I271 HydrophobicContact CD2-CB 4.2Å; L266-I271 HydrophobicContact CD2-CD1 3.87Å; L266-I271 HydrophobicContact CD2-CG2 4.08Å; L266-I271 WeakPolarHBondContact O-CB 3.47Å; L266-I271 PolarHBondContact O-N 3.16Å; E269-I271 HydrophobicContact CB-CD1 3.83Å; E269-I271 HydrophobicContact CB-CG1 4.01Å; E269-I271 PolarHBondContact O-N 2.89Å; E269-I271 VanDerWaalsContact O-N 3.08Å |
| 272 | I | 61.7 | Low | 58.9 | Low | 74 Ų | 74 | 110.6 Ų | 110.6 | 38% | 0.379 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -126.7 | 118.6 | 171.6 | -53.9 | 174.9 | 0 | 0 | 0 | 107.8 | L266 N270 | L266-I272 HydrophobicContact CB-CD1 4Å; L266-I272 HydrophobicContact CB-CG1 4.28Å; L266-I272 HydrophobicContact CD1-CD1 4.06Å; L266-I272 PolarHBondContact O-N 3.06Å; L266-I272 VanDerWaalsContact O-N 3.15Å; N270-I272 VanDerWaalsContact C-N 3.3Å |
| 273 | S | 52.9 | Low | 56.6 | Low | 91 Ų | 91 | 115.5 Ų | 115.5 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | trans | -61.2 | 135.5 | 172.5 | -54.1 | 0 | 0 | 0 | 0 | 110 | M275 | S273-M275 PolarHBondContact O-N 3.13Š| ||
| 274 | P | 52.1 | Low | 54.6 | Low | 82 Ų | 82 | 118.4 Ų | 118.4 | 53% | 0.532 | 65% | 0.653 | S | S | . | * | trans | -52.5 | 133.3 | 168.8 | -20.8 | 29.9 | 0 | 0 | 0 | 109.3 | V267 E276 | V267-P274 HydrophobicContact CG1-CG 3.94Å; P274-E276 PolarHBondContact O-N 2.94Å | ||
| 275 | M | 51.8 | Low | 52.4 | Low | 187 Ų | 187 | 117.1 Ų | 117.1 | 92% | 0.921 | 67% | 0.667 | S | S | * | * | trans | -67 | 100.6 | 172.3 | -70.4 | 168.3 | 175.4 | 0 | 0 | 107.5 | S273 D277 | S273-M275 PolarHBondContact O-N 3.13Å; M275-D277 PolarHBondContact O-N 2.95Å; M275-D277 VanDerWaalsContact O-N 3.17Å | ||
| 276 | E | 43 | Very low | 50.4 | Low | 165 Ų | 165 | 123.7 Ų | 123.7 | 77% | 0.771 | 69% | 0.687 | S | S | * | * | trans | -59.6 | 119.5 | -179.8 | -70 | -169.3 | 144 | 0 | 0 | 110 | P274 S278 | P274-E276 PolarHBondContact O-N 2.94Å; E276-S278 PolarHBondContact O-N 3.08Å | ||
| 277 | D | 45.4 | Very low | 48.2 | Very low | 168 Ų | 168 | 127.2 Ų | 127.2 | 90% | 0.898 | 71% | 0.706 | S | S | * | * | trans | -73.7 | 71.1 | 169.4 | -158.5 | 18.1 | 0 | 0 | 0 | 108.4 | M275 P279 | M275-D277 PolarHBondContact O-N 2.95Å; M275-D277 VanDerWaalsContact O-N 3.17Å; D277-P279 WeakPolarHBondContact O-CD 3.3Å | ||
| 278 | S | 33.1 | Very low | 46.3 | Very low | 80 Ų | 80 | 129.5 Ų | 129.5 | 56% | 0.559 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 117.2 | -173.9 | -101 | 0 | 0 | 0 | 0 | 110.6 | E276 I280 | E276-S278 PolarHBondContact O-N 3.08Å; S278-I280 PolarHBondContact O-N 2.86Å |
| 279 | P | 39.9 | Very low | 44.5 | Very low | 118 Ų | 118 | 130 Ų | 130 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 120.2 | 171.6 | 28.1 | -32.8 | 0 | 0 | 0 | 109.5 | D277 P281 | D277-P279 WeakPolarHBondContact O-CD 3.3Å; P279-P281 VanDerWaalsContact O-CD 3.31Å; P279-P281 WeakPolarHBondContact O-CD 3.48Å |
| 280 | I | 39.8 | Very low | 43 | Very low | 162 Ų | 162 | 130 Ų | 130 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 121.6 | -178.9 | -58.2 | 170 | 0 | 0 | 0 | 109.8 | S278 | S278-I280 PolarHBondContact O-N 2.86Š|
| 281 | P | 35.3 | Very low | 41.3 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 127.6 | 168.9 | -9.4 | 26.2 | 0 | 0 | 0 | 109.9 | P279 M283 | P279-P281 VanDerWaalsContact O-CD 3.31Å; P279-P281 WeakPolarHBondContact O-CD 3.48Å; P281-M283 PolarHBondContact O-N 3.48Å |
| 282 | D | 36.9 | Very low | 40.1 | Very low | 168 Ų | 168 | 127.4 Ų | 127.4 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | trans | -60.8 | 115.9 | 171.3 | -112.7 | -36.9 | 0 | 0 | 0 | 110.4 | ||||
| 283 | M | 34.8 | Very low | 38.7 | Very low | 173 Ų | 173 | 127 Ų | 127 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | trans | -136.6 | 114.5 | 170.4 | -89.4 | -65.8 | -159.9 | 0 | 0 | 110.8 | P281 | P281-M283 PolarHBondContact O-N 3.48Š| ||
| 284 | S | 37 | Very low | 38.1 | Very low | 127 Ų | 127 | 130 Ų | 130 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -75.8 | 128 | 175 | 50.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 285 | G | 34 | Very low | 37.1 | Very low | 75 Ų | 75 | 130.9 Ų | 130.9 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -174.2 | 62 | -171.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 286 | K | 35 | Very low | 36.6 | Very low | 184 Ų | 184 | 127.5 Ų | 127.5 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | 5.4 | 118.9 | 151.1 | -165.7 | 175.3 | -177.2 | 177.2 | 0 | 120.5 | ||||
| 287 | D | 33.6 | Very low | 36.5 | Very low | 138 Ų | 138 | 131.7 Ų | 131.7 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | 57.6 | 138.6 | 144.7 | -54 | -32.5 | 0 | 0 | 0 | 124 | ||||
| 288 | A | 35.6 | Very low | 36.1 | Very low | 96 Ų | 96 | 128.5 Ų | 128.5 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | 92.6 | 87.9 | 145.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 289 | N | 31.8 | Very low | 36.5 | Very low | 138 Ų | 138 | 133.6 Ų | 133.6 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | 96.6 | 137 | 114.3 | -156.7 | 53.9 | 0 | 0 | 0 | 122.4 | |||||
| 290 | D | 35.6 | Very low | 36.7 | Very low | 148 Ų | 148 | 132.3 Ų | 132.3 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | trans | 52.4 | 112.2 | 164 | -75 | -34 | 0 | 0 | 0 | 122.1 | ||||
| 291 | G | 30.6 | Very low | 36.8 | Very low | 73 Ų | 73 | 133.9 Ų | 133.9 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -176.5 | 113.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | G293 | G291-G293 PolarHBondContact O-N 2.94Š| ||
| 292 | A | 41.9 | Very low | 37.2 | Very low | 120 Ų | 120 | 133 Ų | 133 | 99% | 0.992 | 82% | 0.817 | S | S | * | * | trans | -67.3 | 118.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 293 | G | 33.3 | Very low | 37.8 | Very low | 66 Ų | 66 | 133.8 Ų | 133.8 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | trans | -145.9 | 115.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G291 S295 | G291-G293 PolarHBondContact O-N 2.94Å; G293-S295 VanDerWaalsContact C-N 3.29Å; G293-S295 PolarHBondContact O-N 3.33Å | ||
| 294 | T | 39.9 | Very low | 38.8 | Very low | 152 Ų | 152 | 130.3 Ų | 130.3 | 93% | 0.933 | 81% | 0.805 | S | S | * | * | trans | -76.3 | 79 | 174.1 | 51.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 295 | S | 31.4 | Very low | 40.1 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | -105.5 | 118.7 | 174.1 | -174.8 | 0 | 0 | 0 | 0 | 110.7 | G293 R297 | G293-S295 VanDerWaalsContact C-N 3.29Å; G293-S295 PolarHBondContact O-N 3.33Å; S295-R297 PolarHBondContact O-N 2.7Å; S295-R297 VanDerWaalsContact O-N 3.15Å | ||
| 296 | P | 41.3 | Very low | 41.4 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | -77.1 | 102.2 | 178.5 | 29.3 | -30.7 | 0 | 0 | 0 | 110.8 | S298 | P296-S298 PolarHBondContact O-N 2.73Š| ||
| 297 | R | 40.8 | Very low | 43 | Very low | 252 Ų | 252 | 125.2 Ų | 125.2 | 95% | 0.951 | 76% | 0.761 | S | S | * | * | trans | -71.6 | 92.4 | 173.2 | -176 | -178.2 | -174.5 | 166.9 | 2.7 | 110.8 | S295 | S295-R297 PolarHBondContact O-N 2.7Å; S295-R297 VanDerWaalsContact O-N 3.15Å | ||
| 298 | S | 37 | Very low | 45 | Very low | 101 Ų | 101 | 119.9 Ų | 119.9 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | -143.6 | 102.6 | 168.1 | 60.8 | 0 | 0 | 0 | 0 | 113.8 | P296 | P296-S298 PolarHBondContact O-N 2.73Š| ||
| 299 | Q | 40.9 | Very low | 46.6 | Very low | 188 Ų | 188 | 122.7 Ų | 122.7 | 88% | 0.879 | 72% | 0.724 | S | S | * | * | trans | -16.3 | 129.1 | 160.8 | -63.9 | 160.8 | -29 | 0 | 0 | 117.6 | K301 | Q299-K301 PolarHBondContact O-N 2.9Š| ||
| 300 | G | 44.4 | Very low | 48.8 | Very low | 90 Ų | 90 | 119 Ų | 119 | 93% | 0.928 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 63.7 | 34.6 | 134 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 301 | K | 41.1 | Very low | 51 | Low | 195 Ų | 195 | 114.6 Ų | 114.6 | 85% | 0.848 | 69% | 0.685 | S | S | * | * | trans | -124.3 | 137.7 | 168.3 | -71.3 | -173.9 | 176.9 | -177.7 | 0 | 110.5 | Q299 | Q299-K301 PolarHBondContact O-N 2.9Š| ||
| 302 | A | 44.6 | Very low | 53.5 | Low | 90 Ų | 90 | 113.1 Ų | 113.1 | 74% | 0.744 | 66% | 0.658 | S | S | * | * | trans | -54.4 | 146.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S304 | A302-S304 VanDerWaalsContact C-N 3.3Å; A302-S304 PolarHBondContact O-N 2.79Å | ||
| 303 | F | 50.2 | Low | 55.5 | Low | 185 Ų | 185 | 110.2 Ų | 110.2 | 81% | 0.811 | 63% | 0.634 | S | S | * | * | trans | -69.4 | 83.2 | -174.6 | -160.9 | -91.1 | 0 | 0 | 0 | 110.8 | V305 | F303-V305 HydrophobicContact CD1-CG2 4.08Å; F303-V305 HydrophobicContact CE1-CG2 3.99Å; F303-V305 PolarHBondContact O-N 3.32Å | ||
| 304 | S | 55.1 | Low | 58 | Low | 100 Ų | 100 | 114.1 Ų | 114.1 | 70% | 0.699 | 63% | 0.628 | S | S | * | * | trans | -88.3 | 103.3 | -176.8 | -174.2 | 0 | 0 | 0 | 0 | 110.4 | A302 P306 | A302-S304 VanDerWaalsContact C-N 3.3Å; A302-S304 PolarHBondContact O-N 2.79Å; S304-P306 WeakPolarHBondContact O-CD 3.49Å | ||
| 305 | V | 63.9 | Low | 60.1 | Low | 45 Ų | 45 | 108.9 Ų | 108.9 | 27% | 0.273 | 59% | 0.594 | S | S | . | * | trans | -76.6 | 118.3 | 168.4 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | F255 F303 T308 | F255-V305 HydrophobicContact CE1-CB 4.3Å; F255-V305 HydrophobicContact CE1-CG2 4.21Å; F255-V305 HydrophobicContact CZ-CG2 4Å; F303-V305 HydrophobicContact CD1-CG2 4.08Å; F303-V305 HydrophobicContact CE1-CG2 3.99Å; F303-V305 PolarHBondContact O-N 3.32Å; V305-T308 HydrophobicContact CB-CG2 3.99Å; V305-T308 HydrophobicContact CG1-CG2 4.42Å; V305-T308 WeakPolarHBondContact O-CG2 3.34Å | ||
| 306 | P | 61.1 | Low | 62.6 | Low | 95 Ų | 95 | 107.4 Ų | 107.4 | 62% | 0.617 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 143.8 | 178.2 | 29 | -34.4 | 0 | 0 | 0 | 110.8 | S304 | S304-P306 WeakPolarHBondContact O-CD 3.49Š|
| 307 | H | 68.9 | Low | 64.8 | Low | 140 Ų | 140 | 108.5 Ų | 108.5 | 65% | 0.648 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.9 | 33.7 | -179.3 | -42.4 | 87.6 | 0 | 0 | 0 | 116.1 | R309 S310 L311 | H307-R309 VanDerWaalsContact C-N 3.31Å; H307-R309 PolarHBondContact O-N 3.13Å; H307-S310 CarbonylContact O-C 3.54Å; H307-S310 WeakPolarHBondContact O-CA 3.29Å; H307-S310 PolarHBondContact O-N 3.15Å; H307-L311 PolarHBondContact O-N 2.9Å |
| 308 | T | 74.6 | Confident | 66.9 | Low | 26 Ų | 26 | 101.7 Ų | 101.7 | 16% | 0.16 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -55.8 | -38.9 | 177.1 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | P254 F255 V305 S310 L311 E312 | P254-T308 HydrophobicContact CB-CG2 4.03Å; P254-T308 WeakPolarHBondContact O-CB 3.29Å; P254-T308 WeakPolarHBondContact O-CG2 3.28Å; P254-T308 PolarHBondContact O-OG1 3.14Å; F255-T308 HydrophobicContact CD1-CG2 3.82Å; F255-T308 HydrophobicContact CE1-CG2 4.07Å; V305-T308 HydrophobicContact CB-CG2 3.99Å; V305-T308 HydrophobicContact CG1-CG2 4.42Å; V305-T308 WeakPolarHBondContact O-CG2 3.34Å; T308-S310 VanDerWaalsContact C-N 3.31Å; T308-S310 PolarHBondContact O-N 2.92Å; T308-L311 WeakPolarHBondContact O-CB 3.22Å; T308-L311 PolarHBondContact O-N 2.99Å; T308-L311 VanDerWaalsContact O-N 3.12Å; T308-E312 PolarHBondContact O-N 2.84Å |
| 309 | R | 69.5 | Low | 69.4 | Low | 155 Ų | 155 | 98.6 Ų | 98.6 | 59% | 0.585 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.2 | -39.9 | 171.8 | -70.2 | 174.5 | 173.4 | -104.2 | -5.2 | 112.8 | E247 H307 A313 | E247-R309 PolarHBondContact O-NH2 2.94Å; E247-R309 IonicContact OE2-CZ 2.74Å; E247-R309 IonicContact OE2-NH1 2.66Å; E247-R309 PolarHBondContact OE2-NH1 2.81Å; E247-R309 IonicContact OE2-NH2 3.68Å; E247-R309 PolarHBondContact OE2-NH2 3.36Å; H307-R309 VanDerWaalsContact C-N 3.31Å; H307-R309 PolarHBondContact O-N 3.13Å; R309-A313 WeakPolarHBondContact O-CB 3.27Å; R309-A313 PolarHBondContact O-N 3.37Å |
| 310 | S | 79.4 | Confident | 71.5 | Confident | 59 Ų | 59 | 91.7 Ų | 91.7 | 41% | 0.413 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -78.1 | -20 | 177.1 | -46.3 | 0 | 0 | 0 | 0 | 113 | H307 T308 R314 | H307-S310 CarbonylContact O-C 3.54Å; H307-S310 WeakPolarHBondContact O-CA 3.29Å; H307-S310 PolarHBondContact O-N 3.15Å; T308-S310 VanDerWaalsContact C-N 3.31Å; T308-S310 PolarHBondContact O-N 2.92Å; S310-R314 WeakPolarHBondContact O-CG 3.21Å; S310-R314 PolarHBondContact O-NE 3.41Å; S310-R314 PolarHBondContact O-NH2 2.87Å |
| 311 | L | 81.8 | Confident | 73.4 | Confident | 56 Ų | 56 | 91.1 Ų | 91.1 | 29% | 0.293 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -72.6 | -49.5 | 168.3 | 175.6 | 63.6 | 0 | 0 | 0 | 109.9 | F255 H307 T308 A313 R314 I315 | F255-L311 HydrophobicContact CD1-CD2 4.17Å; F255-L311 HydrophobicContact CE1-CD2 3.93Å; H307-L311 PolarHBondContact O-N 2.9Å; T308-L311 WeakPolarHBondContact O-CB 3.22Å; T308-L311 PolarHBondContact O-N 2.99Å; T308-L311 VanDerWaalsContact O-N 3.12Å; L311-A313 PolarHBondContact O-N 2.56Å; L311-R314 PolarHBondContact O-N 3.07Å; L311-I315 HydrophobicContact CD1-CD1 3.96Å; L311-I315 HydrophobicContact CD1-CG1 4.29Å; L311-I315 HydrophobicContact CG-CD1 3.82Å; L311-I315 WeakPolarHBondContact O-CG1 3.31Å; L311-I315 PolarHBondContact O-N 2.83Å |
| 312 | E | 82.8 | Confident | 75.6 | Confident | 43 Ų | 43 | 88 Ų | 88 | 20% | 0.201 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 178.6 | -178.6 | 167.2 | -133.5 | 0 | 0 | 112.6 | G256 P257 L258 T308 R314 I315 K316 | G256-E312 VanDerWaalsContact CA-OE1 3.23Å; G256-E312 WeakPolarHBondContact CA-OE1 3.34Å; G256-E312 WeakPolarHBondContact CA-OE2 3.21Å; P257-E312 WeakPolarHBondContact CD-OE1 3.03Å; P257-E312 VanDerWaalsContact N-OE1 3.12Å; L258-E312 HydrophobicContact CB-CG 4.29Å; L258-E312 PolarHBondContact N-OE1 2.66Å; L258-E312 VanDerWaalsContact N-OE1 3.08Å; T308-E312 PolarHBondContact O-N 2.84Å; E312-R314 PolarHBondContact O-N 3.46Å; E312-I315 PolarHBondContact O-N 3.39Å; E312-K316 PolarHBondContact O-N 3.49Å |
| 313 | A | 82.6 | Confident | 77.2 | Confident | 58 Ų | 58 | 86.8 Ų | 86.8 | 48% | 0.479 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.2 | -44.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R309 L311 K316 E317 | R309-A313 WeakPolarHBondContact O-CB 3.27Å; R309-A313 PolarHBondContact O-N 3.37Å; L311-A313 PolarHBondContact O-N 2.56Å; A313-K316 PolarHBondContact O-N 2.76Å; A313-E317 WeakPolarHBondContact O-CB 3.28Å; A313-E317 PolarHBondContact O-N 3.24Å |
| 314 | R | 85.9 | Confident | 78.7 | Confident | 148 Ų | 148 | 83.9 Ų | 83.9 | 56% | 0.558 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -69.3 | -35.3 | 177.6 | -78.5 | 178.5 | -69.9 | 165.5 | 0.4 | 112.9 | S310 L311 E312 E317 E318 | S310-R314 WeakPolarHBondContact O-CG 3.21Å; S310-R314 PolarHBondContact O-NE 3.41Å; S310-R314 PolarHBondContact O-NH2 2.87Å; L311-R314 PolarHBondContact O-N 3.07Å; E312-R314 PolarHBondContact O-N 3.46Å; R314-E317 PolarHBondContact O-N 3.12Å; R314-E318 WeakPolarHBondContact O-CB 3.38Å; R314-E318 PolarHBondContact O-N 2.96Å |
| 315 | I | 85.6 | Confident | 79.8 | Confident | 42 Ų | 42 | 82.3 Ų | 82.3 | 22% | 0.215 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 173.2 | -70.6 | 168.8 | 0 | 0 | 0 | 109.9 | L258 T259 L262 L311 E312 L319 | L258-I315 HydrophobicContact CD2-CG2 4.2Å; L258-I315 HydrophobicContact CG-CG2 4.45Å; T259-I315 HydrophobicContact CG2-CD1 3.99Å; L262-I315 HydrophobicContact CD1-CG2 3.51Å; L311-I315 HydrophobicContact CD1-CD1 3.96Å; L311-I315 HydrophobicContact CD1-CG1 4.29Å; L311-I315 HydrophobicContact CG-CD1 3.82Å; L311-I315 WeakPolarHBondContact O-CG1 3.31Å; L311-I315 PolarHBondContact O-N 2.83Å; E312-I315 PolarHBondContact O-N 3.39Å; I315-L319 HydrophobicContact CG2-CD1 3.88Å; I315-L319 HydrophobicContact CG2-CG 4.44Å; I315-L319 WeakPolarHBondContact O-CB 3.49Å; I315-L319 VanDerWaalsContact O-CG 3.23Å; I315-L319 WeakPolarHBondContact O-CG 3.32Å; I315-L319 PolarHBondContact O-N 3.01Å |
| 316 | K | 83.4 | Confident | 80.6 | Confident | 72 Ų | 72 | 87.2 Ų | 87.2 | 31% | 0.313 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.3 | -46.7 | 175.5 | -168.3 | 171.1 | -173.2 | 168.3 | 0 | 111.4 | L258 E312 A313 L319 I320 L325 E329 | L258-K316 HydrophobicContact CD2-CB 3.76Å; L258-K316 HydrophobicContact CD2-CG 4.23Å; E312-K316 PolarHBondContact O-N 3.49Å; A313-K316 PolarHBondContact O-N 2.76Å; K316-L319 PolarHBondContact O-N 2.78Å; K316-I320 HydrophobicContact CG-CD1 3.91Å; K316-I320 WeakPolarHBondContact O-CD1 3.42Å; K316-I320 VanDerWaalsContact O-CG1 3.23Å; K316-I320 WeakPolarHBondContact O-CG1 3.36Å; K316-I320 PolarHBondContact O-N 2.91Å; K316-L325 HydrophobicContact CG-CD1 4.34Å; K316-E329 IonicContact NZ-OE2 3.63Å; K316-E329 PolarHBondContact NZ-OE2 2.91Å |
| 317 | E | 86.3 | Confident | 80.8 | Confident | 139 Ų | 139 | 86.9 Ų | 86.9 | 65% | 0.65 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61 | -45.1 | 178.7 | -172.7 | 175 | -162 | 0 | 0 | 112.5 | A313 R314 I320 A321 | A313-E317 WeakPolarHBondContact O-CB 3.28Å; A313-E317 PolarHBondContact O-N 3.24Å; R314-E317 PolarHBondContact O-N 3.12Å; E317-I320 PolarHBondContact O-N 2.74Å; E317-A321 WeakPolarHBondContact O-CB 3.23Å; E317-A321 PolarHBondContact O-N 2.9Å |
| 318 | E | 86.7 | Confident | 80 | Confident | 108 Ų | 108 | 85.9 Ų | 85.9 | 51% | 0.505 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 176.5 | -173.7 | 66.7 | -141 | 0 | 0 | 111.6 | R314 I320 A321 Q322 | R314-E318 WeakPolarHBondContact O-CB 3.38Å; R314-E318 PolarHBondContact O-N 2.96Å; E318-I320 VanDerWaalsContact C-N 3.27Å; E318-I320 PolarHBondContact O-N 2.99Å; E318-A321 PolarHBondContact O-N 2.77Å; E318-A321 VanDerWaalsContact O-N 3.12Å; E318-Q322 HydrophobicContact CG-CG 4.46Å; E318-Q322 VanDerWaalsContact O-CG 3.27Å; E318-Q322 WeakPolarHBondContact O-CG 3.35Å; E318-Q322 PolarHBondContact O-N 2.74Å; E318-Q322 PolarHBondContact OE1-NE2 3.39Å |
| 319 | L | 87.8 | Confident | 78.8 | Confident | 36 Ų | 36 | 92 Ų | 92 | 19% | 0.188 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -63 | -34 | 176.8 | -72.1 | 173.4 | 0 | 0 | 0 | 112.4 | L258 L262 I315 K316 G323 L324 L325 | L258-L319 HydrophobicContact CD1-CD1 4.41Å; L262-L319 HydrophobicContact CD1-CD1 4.08Å; I315-L319 HydrophobicContact CG2-CD1 3.88Å; I315-L319 HydrophobicContact CG2-CG 4.44Å; I315-L319 WeakPolarHBondContact O-CB 3.49Å; I315-L319 VanDerWaalsContact O-CG 3.23Å; I315-L319 WeakPolarHBondContact O-CG 3.32Å; I315-L319 PolarHBondContact O-N 3.01Å; K316-L319 PolarHBondContact O-N 2.78Å; L319-G323 PolarHBondContact O-N 2.99Å; L319-L324 HydrophobicContact CD2-CB 4.23Å; L319-L324 HydrophobicContact CD2-CD1 3.76Å; L319-L324 WeakPolarHBondContact O-CA 3.47Å; L319-L324 WeakPolarHBondContact O-CB 3.18Å; L319-L324 PolarHBondContact O-N 3.43Å; L319-L325 HydrophobicContact CB-CB 4.42Å; L319-L325 HydrophobicContact CB-CD1 3.69Å; L319-L325 HydrophobicContact CB-CG 3.93Å; L319-L325 HydrophobicContact CD1-CD1 3.9Å; L319-L325 HydrophobicContact CG-CD1 4.47Å; L319-L325 PolarHBondContact O-N 3.35Å |
| 320 | I | 85 | Confident | 77.4 | Confident | 43 Ų | 43 | 92.7 Ų | 92.7 | 22% | 0.221 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -67.1 | -46 | 171 | -69.4 | 163 | 0 | 0 | 0 | 110.7 | K316 E317 E318 Q322 G323 L325 | K316-I320 HydrophobicContact CG-CD1 3.91Å; K316-I320 WeakPolarHBondContact O-CD1 3.42Å; K316-I320 VanDerWaalsContact O-CG1 3.23Å; K316-I320 WeakPolarHBondContact O-CG1 3.36Å; K316-I320 PolarHBondContact O-N 2.91Å; E317-I320 PolarHBondContact O-N 2.74Å; E318-I320 VanDerWaalsContact C-N 3.27Å; E318-I320 PolarHBondContact O-N 2.99Å; I320-Q322 VanDerWaalsContact C-N 3.27Å; I320-Q322 PolarHBondContact O-N 3.12Å; I320-G323 PolarHBondContact O-N 3.42Å; I320-L325 WeakPolarHBondContact CA-O 3.43Å; I320-L325 HydrophobicContact CG1-CB 3.82Å |
| 321 | A | 85.9 | Confident | 75.8 | Confident | 79 Ų | 79 | 96.7 Ų | 96.7 | 65% | 0.653 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.8 | -32.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E317 E318 G323 | E317-A321 WeakPolarHBondContact O-CB 3.23Å; E317-A321 PolarHBondContact O-N 2.9Å; E318-A321 PolarHBondContact O-N 2.77Å; E318-A321 VanDerWaalsContact O-N 3.12Å; A321-G323 VanDerWaalsContact C-N 3.26Å; A321-G323 PolarHBondContact O-N 3.2Å |
| 322 | Q | 87.2 | Confident | 73.8 | Confident | 128 Ų | 128 | 96.5 Ų | 96.5 | 60% | 0.598 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -1.2 | 173.4 | -60.4 | -65.7 | -19.6 | 0 | 0 | 113.3 | E318 I320 L324 | E318-Q322 HydrophobicContact CG-CG 4.46Å; E318-Q322 VanDerWaalsContact O-CG 3.27Å; E318-Q322 WeakPolarHBondContact O-CG 3.35Å; E318-Q322 PolarHBondContact O-N 2.74Å; E318-Q322 PolarHBondContact OE1-NE2 3.39Å; I320-Q322 VanDerWaalsContact C-N 3.27Å; I320-Q322 PolarHBondContact O-N 3.12Å; Q322-L324 VanDerWaalsContact C-N 3.29Å; Q322-L324 HydrophobicContact CB-CD1 4.12Å; Q322-L324 HydrophobicContact CB-CG 4.14Å; Q322-L324 PolarHBondContact O-N 2.88Å |
| 323 | G | 77.5 | Confident | 71.8 | Confident | 66 Ų | 66 | 103.9 Ų | 103.9 | 68% | 0.68 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.3 | 21.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L319 I320 A321 | L319-G323 PolarHBondContact O-N 2.99Å; I320-G323 PolarHBondContact O-N 3.42Å; A321-G323 VanDerWaalsContact C-N 3.26Å; A321-G323 PolarHBondContact O-N 3.2Å |
| 324 | L | 81.3 | Confident | 70.1 | Confident | 124 Ų | 124 | 105.7 Ų | 105.7 | 65% | 0.649 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -92.4 | -16.4 | 178.6 | -61.8 | 173.7 | 0 | 0 | 0 | 112.8 | L319 Q322 | L319-L324 HydrophobicContact CD2-CB 4.23Å; L319-L324 HydrophobicContact CD2-CD1 3.76Å; L319-L324 WeakPolarHBondContact O-CA 3.47Å; L319-L324 WeakPolarHBondContact O-CB 3.18Å; L319-L324 PolarHBondContact O-N 3.43Å; Q322-L324 VanDerWaalsContact C-N 3.29Å; Q322-L324 HydrophobicContact CB-CD1 4.12Å; Q322-L324 HydrophobicContact CB-CG 4.14Å; Q322-L324 PolarHBondContact O-N 2.88Å |
| 325 | L | 79.1 | Confident | 68.2 | Low | 67 Ų | 67 | 101.5 Ų | 101.5 | 35% | 0.351 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -134.2 | 144.4 | 171.4 | -68.5 | 178.4 | 0 | 0 | 0 | 109.4 | K316 L319 I320 | K316-L325 HydrophobicContact CG-CD1 4.34Å; L319-L325 HydrophobicContact CB-CB 4.42Å; L319-L325 HydrophobicContact CB-CD1 3.69Å; L319-L325 HydrophobicContact CB-CG 3.93Å; L319-L325 HydrophobicContact CD1-CD1 3.9Å; L319-L325 HydrophobicContact CG-CD1 4.47Å; L319-L325 PolarHBondContact O-N 3.35Å; I320-L325 WeakPolarHBondContact CA-O 3.43Å; I320-L325 HydrophobicContact CG1-CB 3.82Å |
| 326 | D | 79.4 | Confident | 66.3 | Low | 148 Ų | 148 | 106.7 Ų | 106.7 | 79% | 0.791 | 62% | 0.615 | S | S | * | * | trans | -73 | 141 | 173.6 | -68.8 | -53.2 | 0 | 0 | 0 | 111.2 | E328 | D326-E328 PolarHBondContact O-N 2.92Å; D326-E328 VanDerWaalsContact O-N 3.1Å | ||
| 327 | S | 65.4 | Low | 64.6 | Low | 87 Ų | 87 | 111.4 Ų | 111.4 | 61% | 0.608 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -70.8 | -6.7 | -171.8 | -167.8 | 0 | 0 | 0 | 0 | 115 | ||
| 328 | E | 53.3 | Low | 63.1 | Low | 120 Ų | 120 | 112.7 Ų | 112.7 | 56% | 0.561 | 65% | 0.649 | S | S | * | * | trans | -136.4 | 63.9 | -168.2 | -75.3 | -83.7 | 91.4 | 0 | 0 | 112 | D326 R330 | D326-E328 PolarHBondContact O-N 2.92Å; D326-E328 VanDerWaalsContact O-N 3.1Å; E328-R330 HydrophobicContact CB-CG 4.5Å; E328-R330 PolarHBondContact O-N 3.36Å; E328-R330 IonicContact OE2-CZ 2.64Å; E328-R330 IonicContact OE2-NE 2.7Å; E328-R330 PolarHBondContact OE2-NE 2.93Å; E328-R330 IonicContact OE2-NH2 2.79Å; E328-R330 PolarHBondContact OE2-NH2 2.97Å | ||
| 329 | E | 48.9 | Very low | 62.4 | Low | 154 Ų | 154 | 110.6 Ų | 110.6 | 72% | 0.72 | 64% | 0.641 | S | S | * | * | trans | -67.4 | 80.6 | 149.1 | -97.6 | -174.7 | 148.3 | 0 | 0 | 108.3 | K316 P331 | K316-E329 IonicContact NZ-OE2 3.63Å; K316-E329 PolarHBondContact NZ-OE2 2.91Å; E329-P331 WeakPolarHBondContact O-CD 3.4Å | ||
| 330 | R | 40.3 | Very low | 62.3 | Low | 170 Ų | 170 | 116.7 Ų | 116.7 | 64% | 0.642 | 67% | 0.669 | S | S | * | * | trans | -66.8 | 123.8 | 171.6 | -74.2 | -174.1 | -175.4 | 144.4 | 14 | 109.1 | E328 G332 | E328-R330 HydrophobicContact CB-CG 4.5Å; E328-R330 PolarHBondContact O-N 3.36Å; E328-R330 IonicContact OE2-CZ 2.64Å; E328-R330 IonicContact OE2-NE 2.7Å; E328-R330 PolarHBondContact OE2-NE 2.93Å; E328-R330 IonicContact OE2-NH2 2.79Å; E328-R330 PolarHBondContact OE2-NH2 2.97Å; R330-G332 PolarHBondContact O-N 3.47Å | ||
| 331 | P | 46.3 | Very low | 62.3 | Low | 143 Ų | 143 | 119.9 Ų | 119.9 | 93% | 0.929 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -74.9 | 73.2 | 168.3 | 32.4 | -33.6 | 0 | 0 | 0 | 108.8 | E329 | E329-P331 WeakPolarHBondContact O-CD 3.4Š|
| 332 | G | 39.2 | Very low | 62.4 | Low | 51 Ų | 51 | 119.1 Ų | 119.1 | 53% | 0.526 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -164.2 | 90.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R330 | R330-G332 PolarHBondContact O-N 3.47Š|
| 333 | Q | 41.6 | Very low | 62.4 | Low | 199 Ų | 199 | 114.8 Ų | 114.8 | 93% | 0.93 | 66% | 0.661 | S | S | * | * | trans | 42.7 | 90.6 | 146.2 | -159 | 161.3 | 81.8 | 0 | 0 | 115.5 | G335 | Q333-G335 PolarHBondContact O-N 3.1Å; Q333-G335 VanDerWaalsContact O-N 3.14Å | ||
| 334 | G | 46.2 | Very low | 63.1 | Low | 95 Ų | 95 | 114.7 Ų | 114.7 | 98% | 0.979 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -37.4 | 109 | -169 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 335 | G | 46.3 | Very low | 63.6 | Low | 61 Ų | 61 | 112.2 Ų | 112.2 | 63% | 0.629 | 63% | 0.63 | S | S | * | * | trans | -170.3 | 100.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q333 | Q333-G335 PolarHBondContact O-N 3.1Å; Q333-G335 VanDerWaalsContact O-N 3.14Å | ||
| 336 | D | 44.3 | Very low | 64.2 | Low | 150 Ų | 150 | 114 Ų | 114 | 80% | 0.802 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 171.2 | -1 | 148.3 | -103 | -0.4 | 0 | 0 | 0 | 113 | ||
| 337 | L | 48.4 | Very low | 64.9 | Low | 171 Ų | 171 | 111.6 Ų | 111.6 | 90% | 0.895 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -78.2 | 113.8 | 133.5 | -64.9 | 176.1 | 0 | 0 | 0 | 105.6 | D339 | L337-D339 PolarHBondContact O-N 2.69Š|
| 338 | E | 54.2 | Low | 66.3 | Low | 166 Ų | 166 | 114.2 Ų | 114.2 | 78% | 0.776 | 62% | 0.616 | S | S | * | * | trans | -51.4 | 132.2 | 167.8 | -67.7 | -176.3 | 142.9 | 0 | 0 | 107.7 | E340 | E338-E340 VanDerWaalsContact C-N 3.3Å; E338-E340 PolarHBondContact O-N 2.8Å | ||
| 339 | D | 73.4 | Confident | 68.3 | Low | 64 Ų | 64 | 109.5 Ų | 109.5 | 34% | 0.342 | 59% | 0.594 | S | S | . | * | trans | -60.9 | 98.7 | 170.7 | 172.7 | -9.1 | 0 | 0 | 0 | 107 | L337 V341 L342 A343 | L337-D339 PolarHBondContact O-N 2.69Å; D339-V341 PolarHBondContact O-N 3.18Å; D339-V341 VanDerWaalsContact O-N 3.15Å; D339-V341 WeakPolarHBondContact OD1-CB 3.43Å; D339-V341 PolarHBondContact OD1-N 3.37Å; D339-V341 VanDerWaalsContact OD1-N 3.13Å; D339-L342 HydrophobicContact CB-CB 3.72Å; D339-L342 HydrophobicContact CB-CD2 4.49Å; D339-L342 VanDerWaalsContact CG-CB 3.43Å; D339-L342 CarbonylContact O-C 3.18Å; D339-L342 WeakPolarHBondContact O-CA 3.49Å; D339-L342 WeakPolarHBondContact O-CB 3.1Å; D339-L342 PolarHBondContact O-N 3.43Å; D339-L342 PolarHBondContact OD1-N 3.21Å; D339-L342 WeakPolarHBondContact OD2-CB 3.47Å; D339-A343 PolarHBondContact O-N 2.87Å | ||
| 340 | E | 85.2 | Confident | 70.5 | Confident | 164 Ų | 164 | 104.9 Ų | 104.9 | 77% | 0.766 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -56.5 | -34 | -173.3 | -172.7 | -174 | 167.4 | 0 | 0 | 110.7 | E338 E344 | E338-E340 VanDerWaalsContact C-N 3.3Å; E338-E340 PolarHBondContact O-N 2.8Å; E340-E344 VanDerWaalsContact O-CB 3.23Å; E340-E344 WeakPolarHBondContact O-CB 3.3Å; E340-E344 PolarHBondContact O-N 3.1Å |
| 341 | V | 85.8 | Confident | 73.1 | Confident | 110 Ų | 110 | 101 Ų | 101 | 67% | 0.667 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.7 | -44.2 | 176.4 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | D339 L345 | D339-V341 PolarHBondContact O-N 3.18Å; D339-V341 VanDerWaalsContact O-N 3.15Å; D339-V341 WeakPolarHBondContact OD1-CB 3.43Å; D339-V341 PolarHBondContact OD1-N 3.37Å; D339-V341 VanDerWaalsContact OD1-N 3.13Å; V341-L345 WeakPolarHBondContact O-CB 3.25Å; V341-L345 PolarHBondContact O-N 2.91Å |
| 342 | L | 87.1 | Confident | 75.5 | Confident | 63 Ų | 63 | 97.1 Ų | 97.1 | 33% | 0.33 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 174.8 | 179.7 | 61.9 | 0 | 0 | 0 | 112.2 | I189 D339 L345 Q346 | I189-L342 HydrophobicContact CD1-CD1 3.83Å; I189-L342 HydrophobicContact CG2-CD1 3.85Å; D339-L342 HydrophobicContact CB-CB 3.72Å; D339-L342 HydrophobicContact CB-CD2 4.49Å; D339-L342 VanDerWaalsContact CG-CB 3.43Å; D339-L342 CarbonylContact O-C 3.18Å; D339-L342 WeakPolarHBondContact O-CA 3.49Å; D339-L342 WeakPolarHBondContact O-CB 3.1Å; D339-L342 PolarHBondContact O-N 3.43Å; D339-L342 PolarHBondContact OD1-N 3.21Å; D339-L342 WeakPolarHBondContact OD2-CB 3.47Å; L342-L345 PolarHBondContact O-N 3.34Å; L342-Q346 HydrophobicContact CD1-CG 4.36Å; L342-Q346 WeakPolarHBondContact O-CB 3.21Å; L342-Q346 VanDerWaalsContact O-CG 3.3Å; L342-Q346 WeakPolarHBondContact O-CG 3.27Å; L342-Q346 PolarHBondContact O-N 3.28Å |
| 343 | A | 87.6 | Confident | 78.1 | Confident | 38 Ų | 38 | 100 Ų | 100 | 31% | 0.314 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.6 | -47.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D339 L345 Q346 K347 | D339-A343 PolarHBondContact O-N 2.87Å; A343-L345 VanDerWaalsContact C-N 3.35Å; A343-L345 PolarHBondContact O-N 3.14Å; A343-Q346 PolarHBondContact O-N 3.43Å; A343-K347 WeakPolarHBondContact O-CB 3.35Å; A343-K347 PolarHBondContact O-N 2.9Å |
| 344 | E | 91.4 | Very high | 80.7 | Confident | 63 Ų | 63 | 93.5 Ų | 93.5 | 29% | 0.294 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.5 | -36.9 | 176.5 | -168.7 | 63.7 | -162 | 0 | 0 | 111.1 | E340 K347 R348 | E340-E344 VanDerWaalsContact O-CB 3.23Å; E340-E344 WeakPolarHBondContact O-CB 3.3Å; E340-E344 PolarHBondContact O-N 3.1Å; E344-K347 VanDerWaalsContact CD-NZ 3.26Å; E344-K347 WeakPolarHBondContact O-CB 3.46Å; E344-K347 PolarHBondContact O-N 3.48Å; E344-K347 IonicContact OE1-NZ 2.81Å; E344-K347 PolarHBondContact OE1-NZ 3.12Å; E344-K347 WeakPolarHBondContact OE2-CD 3.21Å; E344-K347 IonicContact OE2-NZ 3.84Å; E344-K347 PolarHBondContact OE2-NZ 2.93Å; E344-R348 WeakPolarHBondContact O-CG 3.41Å; E344-R348 PolarHBondContact O-N 3.43Å; E344-R348 IonicContact OE1-CZ 3.46Å; E344-R348 IonicContact OE1-NE 3.46Å; E344-R348 PolarHBondContact OE1-NE 3.21Å; E344-R348 IonicContact OE1-NH2 2.65Å; E344-R348 PolarHBondContact OE1-NH2 2.9Å |
| 345 | L | 91.4 | Very high | 83.1 | Confident | 73 Ų | 73 | 93.8 Ų | 93.8 | 38% | 0.382 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 175.4 | -171.6 | 123.6 | 0 | 0 | 0 | 112.2 | I189 V341 L342 A343 K347 R348 Q349 | I189-L345 HydrophobicContact CB-CD2 4.38Å; I189-L345 HydrophobicContact CD1-CD2 3.63Å; I189-L345 HydrophobicContact CG1-CD2 3.59Å; I189-L345 HydrophobicContact CG2-CD2 4.11Å; V341-L345 WeakPolarHBondContact O-CB 3.25Å; V341-L345 PolarHBondContact O-N 2.91Å; L342-L345 PolarHBondContact O-N 3.34Å; A343-L345 VanDerWaalsContact C-N 3.35Å; A343-L345 PolarHBondContact O-N 3.14Å; L345-K347 VanDerWaalsContact C-N 3.34Å; L345-K347 PolarHBondContact O-N 2.81Å; L345-R348 PolarHBondContact O-N 3.04Å; L345-Q349 WeakPolarHBondContact O-CG 3.32Å; L345-Q349 PolarHBondContact O-N 3.44Å |
| 346 | Q | 91.9 | Very high | 85.4 | Confident | 104 Ų | 104 | 93 Ų | 93 | 49% | 0.486 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 173.2 | -73.6 | 178.8 | 19.4 | 0 | 0 | 111.7 | I189 L342 A343 Q349 A350 | I189-Q346 HydrophobicContact CD1-CG 4Å; L342-Q346 HydrophobicContact CD1-CG 4.36Å; L342-Q346 WeakPolarHBondContact O-CB 3.21Å; L342-Q346 VanDerWaalsContact O-CG 3.3Å; L342-Q346 WeakPolarHBondContact O-CG 3.27Å; L342-Q346 PolarHBondContact O-N 3.28Å; A343-Q346 PolarHBondContact O-N 3.43Å; Q346-Q349 WeakPolarHBondContact O-CB 3.23Å; Q346-Q349 PolarHBondContact O-N 2.71Å; Q346-A350 PolarHBondContact O-N 3.12Å |
| 347 | K | 94.2 | Very high | 87.8 | Confident | 98 Ų | 98 | 88.7 Ų | 88.7 | 43% | 0.426 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 174.5 | 172.6 | 179.1 | 153.8 | -145.6 | 0 | 112 | A343 E344 L345 Q349 A350 E351 | A343-K347 WeakPolarHBondContact O-CB 3.35Å; A343-K347 PolarHBondContact O-N 2.9Å; E344-K347 VanDerWaalsContact CD-NZ 3.26Å; E344-K347 WeakPolarHBondContact O-CB 3.46Å; E344-K347 PolarHBondContact O-N 3.48Å; E344-K347 IonicContact OE1-NZ 2.81Å; E344-K347 PolarHBondContact OE1-NZ 3.12Å; E344-K347 WeakPolarHBondContact OE2-CD 3.21Å; E344-K347 IonicContact OE2-NZ 3.84Å; E344-K347 PolarHBondContact OE2-NZ 2.93Å; L345-K347 VanDerWaalsContact C-N 3.34Å; L345-K347 PolarHBondContact O-N 2.81Å; K347-Q349 VanDerWaalsContact C-N 3.32Å; K347-Q349 PolarHBondContact O-N 3.17Å; K347-A350 WeakPolarHBondContact O-CB 3.48Å; K347-A350 PolarHBondContact O-N 3.43Å; K347-A350 VanDerWaalsContact O-N 3.08Å; K347-E351 WeakPolarHBondContact CE-OE1 3.48Å; K347-E351 WeakPolarHBondContact O-CG 3.48Å; K347-E351 PolarHBondContact O-N 3.33Å |
| 348 | R | 95.2 | Very high | 90.1 | Very high | 141 Ų | 141 | 86.3 Ų | 86.3 | 53% | 0.532 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.9 | -34.9 | 175.2 | -62.2 | -44.9 | 171.3 | 102.3 | 5 | 112.6 | E344 L345 A350 E351 L352 | E344-R348 WeakPolarHBondContact O-CG 3.41Å; E344-R348 PolarHBondContact O-N 3.43Å; E344-R348 IonicContact OE1-CZ 3.46Å; E344-R348 IonicContact OE1-NE 3.46Å; E344-R348 PolarHBondContact OE1-NE 3.21Å; E344-R348 IonicContact OE1-NH2 2.65Å; E344-R348 PolarHBondContact OE1-NH2 2.9Å; L345-R348 PolarHBondContact O-N 3.04Å; R348-A350 VanDerWaalsContact C-N 3.34Å; R348-E351 WeakPolarHBondContact CD-OE2 3.43Å; R348-E351 IonicContact NE-OE2 2.71Å; R348-E351 PolarHBondContact O-N 3.17Å; R348-L352 VanDerWaalsContact O-CB 3.29Å; R348-L352 WeakPolarHBondContact O-CB 3.29Å; R348-L352 PolarHBondContact O-N 3.12Å |
| 349 | Q | 94.8 | Very high | 92.1 | Very high | 22 Ų | 22 | 82.3 Ų | 82.3 | 10% | 0.103 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.6 | -36.4 | 171.5 | -74.9 | -178.1 | -1.5 | 0 | 0 | 112.4 | Y186 F187 L345 Q346 K347 K353 | Y186-Q349 PolarHBondContact O-NE2 3.01Å; F187-Q349 HydrophobicContact CD1-CB 3.99Å; F187-Q349 HydrophobicContact CD1-CG 3.96Å; F187-Q349 HydrophobicContact CE1-CB 4.32Å; L345-Q349 WeakPolarHBondContact O-CG 3.32Å; L345-Q349 PolarHBondContact O-N 3.44Å; Q346-Q349 WeakPolarHBondContact O-CB 3.23Å; Q346-Q349 PolarHBondContact O-N 2.71Å; K347-Q349 VanDerWaalsContact C-N 3.32Å; K347-Q349 PolarHBondContact O-N 3.17Å; Q349-K353 VanDerWaalsContact O-CG 3.28Å; Q349-K353 WeakPolarHBondContact O-CG 3.4Å; Q349-K353 PolarHBondContact O-N 3.4Å |
| 350 | A | 94.9 | Very high | 93.2 | Very high | 57 Ų | 57 | 85.1 Ų | 85.1 | 47% | 0.471 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69 | -44.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q346 K347 R348 L352 K353 A354 | Q346-A350 PolarHBondContact O-N 3.12Å; K347-A350 WeakPolarHBondContact O-CB 3.48Å; K347-A350 PolarHBondContact O-N 3.43Å; K347-A350 VanDerWaalsContact O-N 3.08Å; R348-A350 VanDerWaalsContact C-N 3.34Å; A350-L352 PolarHBondContact O-N 3.01Å; A350-K353 PolarHBondContact O-N 3.38Å; A350-A354 PolarHBondContact O-N 3.29Å |
| 351 | E | 96.6 | Very high | 93.7 | Very high | 87 Ų | 87 | 79.8 Ų | 79.8 | 41% | 0.407 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.3 | -45.4 | 172.9 | -70.5 | 171.2 | -170.2 | 0 | 0 | 111.4 | K347 R348 K353 A354 L355 | K347-E351 WeakPolarHBondContact CE-OE1 3.48Å; K347-E351 WeakPolarHBondContact O-CG 3.48Å; K347-E351 PolarHBondContact O-N 3.33Å; R348-E351 WeakPolarHBondContact CD-OE2 3.43Å; R348-E351 IonicContact NE-OE2 2.71Å; R348-E351 PolarHBondContact O-N 3.17Å; E351-K353 PolarHBondContact O-N 2.86Å; E351-A354 PolarHBondContact O-N 3.06Å; E351-L355 WeakPolarHBondContact O-CG 3.38Å; E351-L355 PolarHBondContact O-N 3.28Å |
| 352 | L | 95.3 | Very high | 94.3 | Very high | 63 Ų | 63 | 81 Ų | 81 | 33% | 0.33 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 176.8 | -179.5 | 59.9 | 0 | 0 | 0 | 112.1 | F187 R348 A350 A354 L355 I356 | F187-L352 HydrophobicContact CE1-CB 4.37Å; F187-L352 HydrophobicContact CE1-CD2 3.94Å; F187-L352 HydrophobicContact CE1-CG 4.21Å; F187-L352 HydrophobicContact CZ-CD2 4.06Å; F187-L352 HydrophobicContact CZ-CG 4.17Å; R348-L352 VanDerWaalsContact O-CB 3.29Å; R348-L352 WeakPolarHBondContact O-CB 3.29Å; R348-L352 PolarHBondContact O-N 3.12Å; A350-L352 PolarHBondContact O-N 3.01Å; L352-A354 VanDerWaalsContact C-N 3.34Å; L352-A354 PolarHBondContact O-N 2.97Å; L352-L355 PolarHBondContact O-N 3.17Å; L352-I356 HydrophobicContact CD1-CD1 4.03Å; L352-I356 HydrophobicContact CD1-CG1 4.23Å; L352-I356 HydrophobicContact CG-CD1 3.88Å; L352-I356 HydrophobicContact CG-CG1 4.5Å; L352-I356 WeakPolarHBondContact O-CB 3.37Å; L352-I356 VanDerWaalsContact O-CG1 3.3Å; L352-I356 WeakPolarHBondContact O-CG1 3.48Å; L352-I356 PolarHBondContact O-N 2.76Å |
| 353 | K | 94.8 | Very high | 94.7 | Very high | 111 Ų | 111 | 81.2 Ų | 81.2 | 48% | 0.483 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 174.4 | -74.4 | 165.9 | -173.8 | 168.6 | 0 | 111.9 | F187 Q349 A350 E351 I356 A357 | F187-K353 HydrophobicContact CD1-CD 4.49Å; F187-K353 VanDerWaalsContact CD1-CE 3.45Å; F187-K353 HydrophobicContact CD1-CG 4.37Å; F187-K353 HydrophobicContact CE1-CD 4.16Å; F187-K353 HydrophobicContact CE1-CG 3.59Å; F187-K353 HydrophobicContact CE2-CG 4.48Å; F187-K353 HydrophobicContact CZ-CG 3.65Å; Q349-K353 VanDerWaalsContact O-CG 3.28Å; Q349-K353 WeakPolarHBondContact O-CG 3.4Å; Q349-K353 PolarHBondContact O-N 3.4Å; A350-K353 PolarHBondContact O-N 3.38Å; E351-K353 PolarHBondContact O-N 2.86Å; K353-I356 PolarHBondContact O-N 2.71Å; K353-A357 WeakPolarHBondContact O-CB 3.48Å; K353-A357 PolarHBondContact O-N 2.93Å |
| 354 | A | 96.6 | Very high | 95.2 | Very high | 62 Ų | 62 | 84.5 Ų | 84.5 | 51% | 0.512 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64 | -43 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | A350 E351 L352 A357 H358 | A350-A354 PolarHBondContact O-N 3.29Å; E351-A354 PolarHBondContact O-N 3.06Å; L352-A354 VanDerWaalsContact C-N 3.34Å; L352-A354 PolarHBondContact O-N 2.97Å; A354-A357 PolarHBondContact O-N 3.08Å; A354-H358 WeakPolarHBondContact O-CB 2.84Å; A354-H358 PolarHBondContact O-N 3.05Å |
| 355 | L | 96.1 | Very high | 95.5 | Very high | 101 Ų | 101 | 84.6 Ų | 84.6 | 53% | 0.529 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 176 | -72 | 171.5 | 0 | 0 | 0 | 112.5 | E351 L352 H358 N359 | E351-L355 WeakPolarHBondContact O-CG 3.38Å; E351-L355 PolarHBondContact O-N 3.28Å; L352-L355 PolarHBondContact O-N 3.17Å; L355-H358 PolarHBondContact O-N 2.64Å; L355-N359 VanDerWaalsContact O-CB 3.26Å; L355-N359 WeakPolarHBondContact O-CB 3.23Å; L355-N359 PolarHBondContact O-N 2.85Å; L355-N359 PolarHBondContact O-ND2 2.84Å |
| 356 | I | 94.1 | Very high | 95.8 | Very high | 45 Ų | 45 | 84.5 Ų | 84.5 | 23% | 0.231 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61 | -47.5 | 175.1 | -70.4 | 166.5 | 0 | 0 | 0 | 110.2 | E183 F187 L352 K353 N359 R360 | E183-I356 HydrophobicContact CG-CD1 4.3Å; F187-I356 HydrophobicContact CE2-CD1 4.5Å; F187-I356 HydrophobicContact CZ-CD1 4.01Å; L352-I356 HydrophobicContact CD1-CD1 4.03Å; L352-I356 HydrophobicContact CD1-CG1 4.23Å; L352-I356 HydrophobicContact CG-CD1 3.88Å; L352-I356 HydrophobicContact CG-CG1 4.5Å; L352-I356 WeakPolarHBondContact O-CB 3.37Å; L352-I356 VanDerWaalsContact O-CG1 3.3Å; L352-I356 WeakPolarHBondContact O-CG1 3.48Å; L352-I356 PolarHBondContact O-N 2.76Å; K353-I356 PolarHBondContact O-N 2.71Å; I356-N359 PolarHBondContact O-N 3.47Å; I356-R360 VanDerWaalsContact O-CB 3.26Å; I356-R360 WeakPolarHBondContact O-CB 3.38Å; I356-R360 PolarHBondContact O-N 3.16Å |
| 357 | A | 95.1 | Very high | 96.1 | Very high | 60 Ų | 60 | 80.6 Ų | 80.6 | 50% | 0.496 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K353 A354 R360 A361 | K353-A357 WeakPolarHBondContact O-CB 3.48Å; K353-A357 PolarHBondContact O-N 2.93Å; A354-A357 PolarHBondContact O-N 3.08Å; A357-R360 PolarHBondContact O-N 3.06Å; A357-A361 WeakPolarHBondContact O-CB 3.37Å; A357-A361 PolarHBondContact O-N 2.95Å |
| 358 | H | 97.3 | Very high | 96.2 | Very high | 121 Ų | 121 | 81.4 Ų | 81.4 | 56% | 0.56 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.5 | -48.5 | 176.2 | 175.5 | -93.6 | 0 | 0 | 0 | 112.2 | A354 L355 R360 A361 R362 | A354-H358 WeakPolarHBondContact O-CB 2.84Å; A354-H358 PolarHBondContact O-N 3.05Å; L355-H358 PolarHBondContact O-N 2.64Å; H358-R360 VanDerWaalsContact C-N 3.33Å; H358-R360 PolarHBondContact O-N 2.82Å; H358-A361 PolarHBondContact O-N 3.47Å; H358-R362 WeakPolarHBondContact O-CB 3.44Å; H358-R362 PolarHBondContact O-N 3.09Å |
| 359 | N | 95.6 | Very high | 96.3 | Very high | 82 Ų | 82 | 78 Ų | 78 | 44% | 0.439 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | -180 | -71.1 | -19.1 | 0 | 0 | 0 | 111.8 | L355 I356 R362 K363 | L355-N359 VanDerWaalsContact O-CB 3.26Å; L355-N359 WeakPolarHBondContact O-CB 3.23Å; L355-N359 PolarHBondContact O-N 2.85Å; L355-N359 PolarHBondContact O-ND2 2.84Å; I356-N359 PolarHBondContact O-N 3.47Å; N359-R362 PolarHBondContact O-N 3.19Å; N359-K363 WeakPolarHBondContact O-CB 3.35Å; N359-K363 VanDerWaalsContact O-CG 3.25Å; N359-K363 WeakPolarHBondContact O-CG 3.44Å; N359-K363 PolarHBondContact O-N 3.23Å |
| 360 | R | 95.6 | Very high | 96.4 | Very high | 122 Ų | 122 | 77.3 Ų | 77.3 | 46% | 0.46 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 174.3 | -173.5 | 174.9 | -176.5 | 168.2 | 1.2 | 111.4 | L177 I356 A357 H358 R362 K363 Q364 | L177-R360 HydrophobicContact CD2-CG 4.13Å; I356-R360 VanDerWaalsContact O-CB 3.26Å; I356-R360 WeakPolarHBondContact O-CB 3.38Å; I356-R360 PolarHBondContact O-N 3.16Å; A357-R360 PolarHBondContact O-N 3.06Å; H358-R360 VanDerWaalsContact C-N 3.33Å; H358-R360 PolarHBondContact O-N 2.82Å; R360-R362 VanDerWaalsContact C-N 3.33Å; R360-R362 PolarHBondContact O-N 3.46Å; R360-K363 PolarHBondContact O-N 2.91Å; R360-Q364 WeakPolarHBondContact O-CG 3.32Å; R360-Q364 PolarHBondContact O-N 3.14Å |
| 361 | A | 97.2 | Very high | 96.5 | Very high | 52 Ų | 52 | 79.2 Ų | 79.2 | 43% | 0.43 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A357 H358 Q364 E365 | A357-A361 WeakPolarHBondContact O-CB 3.37Å; A357-A361 PolarHBondContact O-N 2.95Å; H358-A361 PolarHBondContact O-N 3.47Å; A361-Q364 PolarHBondContact O-N 3.23Å; A361-E365 PolarHBondContact O-N 2.76Å |
| 362 | R | 97.6 | Very high | 96.4 | Very high | 135 Ų | 135 | 78 Ų | 78 | 51% | 0.509 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 177.9 | -168.9 | 66.4 | -168.9 | 159.7 | 4 | 112.6 | H358 N359 R360 Q364 E365 L366 | H358-R362 WeakPolarHBondContact O-CB 3.44Å; H358-R362 PolarHBondContact O-N 3.09Å; N359-R362 PolarHBondContact O-N 3.19Å; R360-R362 VanDerWaalsContact C-N 3.33Å; R360-R362 PolarHBondContact O-N 3.46Å; R362-Q364 VanDerWaalsContact C-N 3.34Å; R362-E365 PolarHBondContact O-N 3.3Å; R362-L366 HydrophobicContact CG-CD1 4.41Å; R362-L366 WeakPolarHBondContact O-CB 3.06Å; R362-L366 VanDerWaalsContact O-CG 3.32Å; R362-L366 WeakPolarHBondContact O-CG 3.42Å; R362-L366 PolarHBondContact O-N 3.15Å |
| 363 | K | 96.4 | Very high | 96.5 | Very high | 69 Ų | 69 | 77.6 Ų | 77.6 | 30% | 0.3 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 173 | -74.1 | 170.6 | 177.8 | -179.5 | 0 | 112 | L176 L177 N359 R360 L366 L367 | L176-K363 HydrophobicContact CB-CD 4.29Å; L176-K363 WeakPolarHBondContact O-CD 3.23Å; L176-K363 WeakPolarHBondContact O-CE 3.33Å; L176-K363 PolarHBondContact O-NZ 2.97Å; L177-K363 HydrophobicContact CD1-CB 4.48Å; L177-K363 HydrophobicContact CD2-CB 3.53Å; L177-K363 HydrophobicContact CD2-CD 4.39Å; L177-K363 HydrophobicContact CG-CB 3.87Å; N359-K363 WeakPolarHBondContact O-CB 3.35Å; N359-K363 VanDerWaalsContact O-CG 3.25Å; N359-K363 WeakPolarHBondContact O-CG 3.44Å; N359-K363 PolarHBondContact O-N 3.23Å; R360-K363 PolarHBondContact O-N 2.91Å; K363-L366 PolarHBondContact O-N 3.34Å; K363-L367 WeakPolarHBondContact O-CB 3.46Å; K363-L367 PolarHBondContact O-N 2.98Å |
| 364 | Q | 97.4 | Very high | 96.5 | Very high | 106 Ų | 106 | 73.7 Ų | 73.7 | 50% | 0.495 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 175.8 | -74.8 | 176.3 | -31.3 | 0 | 0 | 112 | L177 R360 A361 R362 L367 R368 | L177-Q364 HydrophobicContact CD1-CG 4.18Å; L177-Q364 HydrophobicContact CD2-CG 3.59Å; R360-Q364 WeakPolarHBondContact O-CG 3.32Å; R360-Q364 PolarHBondContact O-N 3.14Å; A361-Q364 PolarHBondContact O-N 3.23Å; R362-Q364 VanDerWaalsContact C-N 3.34Å; Q364-L367 PolarHBondContact O-N 3.08Å; Q364-R368 PolarHBondContact O-N 3.31Å |
| 365 | E | 98 | Very high | 96.5 | Very high | 65 Ų | 65 | 77.2 Ų | 77.2 | 30% | 0.304 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.6 | -39.3 | 177.2 | 178.2 | 56.6 | -167.8 | 0 | 0 | 112.2 | A361 R362 L367 R368 L369 | A361-E365 PolarHBondContact O-N 2.76Å; R362-E365 PolarHBondContact O-N 3.3Å; E365-L367 VanDerWaalsContact C-N 3.34Å; E365-L367 PolarHBondContact O-N 2.87Å; E365-R368 WeakPolarHBondContact O-CB 3.46Å; E365-R368 PolarHBondContact O-N 3.21Å; E365-R368 IonicContact OE1-CZ 3.14Å; E365-R368 IonicContact OE1-NE 2.7Å; E365-R368 PolarHBondContact OE1-NE 2.84Å; E365-R368 IonicContact OE1-NH2 2.73Å; E365-R368 PolarHBondContact OE1-NH2 3.28Å; E365-R368 IonicContact OE2-CZ 2.66Å; E365-R368 IonicContact OE2-NE 2.69Å; E365-R368 PolarHBondContact OE2-NE 3.1Å; E365-R368 IonicContact OE2-NH2 2.67Å; E365-L369 HydrophobicContact CG-CD1 4.11Å; E365-L369 WeakPolarHBondContact O-CG 3.43Å; E365-L369 PolarHBondContact O-N 3.35Å |
| 366 | L | 97.2 | Very high | 96.5 | Very high | 72 Ų | 72 | 75.5 Ų | 75.5 | 38% | 0.377 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 172.3 | -73.2 | 171.9 | 0 | 0 | 0 | 111.9 | L173 R362 K363 R368 L369 A370 | L173-L366 HydrophobicContact CD1-CB 4.47Å; L173-L366 HydrophobicContact CD2-CB 4.44Å; R362-L366 HydrophobicContact CG-CD1 4.41Å; R362-L366 WeakPolarHBondContact O-CB 3.06Å; R362-L366 VanDerWaalsContact O-CG 3.32Å; R362-L366 WeakPolarHBondContact O-CG 3.42Å; R362-L366 PolarHBondContact O-N 3.15Å; K363-L366 PolarHBondContact O-N 3.34Å; L366-R368 VanDerWaalsContact C-N 3.34Å; L366-R368 PolarHBondContact O-N 3.17Å; L366-L369 PolarHBondContact O-N 3.05Å; L366-A370 VanDerWaalsContact O-CB 3.3Å; L366-A370 WeakPolarHBondContact O-CB 3.44Å; L366-A370 PolarHBondContact O-N 3.24Å |
| 367 | L | 97.4 | Very high | 96.5 | Very high | 22 Ų | 22 | 74.5 Ų | 74.5 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 175.4 | -179.6 | 63.1 | 0 | 0 | 0 | 112.2 | T170 L173 E174 L177 K363 Q364 E365 K371 | T170-L367 HydrophobicContact CG2-CD1 3.74Å; L173-L367 HydrophobicContact CB-CB 4.43Å; L173-L367 HydrophobicContact CB-CD1 4.04Å; E174-L367 HydrophobicContact CG-CD1 3.79Å; E174-L367 HydrophobicContact CG-CD2 3.67Å; E174-L367 HydrophobicContact CG-CG 4.41Å; L177-L367 HydrophobicContact CD1-CB 4.25Å; L177-L367 HydrophobicContact CD1-CD2 3.65Å; K363-L367 WeakPolarHBondContact O-CB 3.46Å; K363-L367 PolarHBondContact O-N 2.98Å; Q364-L367 PolarHBondContact O-N 3.08Å; E365-L367 VanDerWaalsContact C-N 3.34Å; E365-L367 PolarHBondContact O-N 2.87Å; L367-K371 HydrophobicContact CD1-CD 4.3Å; L367-K371 HydrophobicContact CD1-CG 4.47Å; L367-K371 HydrophobicContact CG-CD 4.35Å; L367-K371 WeakPolarHBondContact O-CG 3.24Å; L367-K371 PolarHBondContact O-N 2.72Å; L367-K371 VanDerWaalsContact O-N 3.09Å |
| 368 | R | 97.6 | Very high | 96.6 | Very high | 115 Ų | 115 | 77.7 Ų | 77.7 | 43% | 0.434 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.7 | -49.1 | 175.4 | -168.6 | -162.8 | 66.9 | 70.7 | -0.9 | 111 | Q364 E365 L366 K371 E372 | Q364-R368 PolarHBondContact O-N 3.31Å; E365-R368 WeakPolarHBondContact O-CB 3.46Å; E365-R368 PolarHBondContact O-N 3.21Å; E365-R368 IonicContact OE1-CZ 3.14Å; E365-R368 IonicContact OE1-NE 2.7Å; E365-R368 PolarHBondContact OE1-NE 2.84Å; E365-R368 IonicContact OE1-NH2 2.73Å; E365-R368 PolarHBondContact OE1-NH2 3.28Å; E365-R368 IonicContact OE2-CZ 2.66Å; E365-R368 IonicContact OE2-NE 2.69Å; E365-R368 PolarHBondContact OE2-NE 3.1Å; E365-R368 IonicContact OE2-NH2 2.67Å; L366-R368 VanDerWaalsContact C-N 3.34Å; L366-R368 PolarHBondContact O-N 3.17Å; R368-K371 PolarHBondContact O-N 3.39Å; R368-E372 IonicContact CZ-OE2 3.7Å; R368-E372 IonicContact NH1-OE2 2.68Å; R368-E372 PolarHBondContact NH1-OE2 2.97Å; R368-E372 PolarHBondContact O-N 3.48Å |
| 369 | L | 97.2 | Very high | 96.6 | Very high | 69 Ų | 69 | 72.8 Ų | 72.8 | 36% | 0.361 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 178.1 | -71.3 | 167.6 | 0 | 0 | 0 | 112 | E365 L366 K371 E372 E373 | E365-L369 HydrophobicContact CG-CD1 4.11Å; E365-L369 WeakPolarHBondContact O-CG 3.43Å; E365-L369 PolarHBondContact O-N 3.35Å; L366-L369 PolarHBondContact O-N 3.05Å; L369-K371 PolarHBondContact O-N 3.49Å; L369-E372 PolarHBondContact O-N 2.9Å; L369-E373 WeakPolarHBondContact O-CB 3.43Å; L369-E373 PolarHBondContact O-N 3.34Å |
| 370 | A | 96.8 | Very high | 96.6 | Very high | 7 Ų | 7 | 72.9 Ų | 72.9 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | I165 L173 L366 E373 M374 | I165-A370 HydrophobicContact CD1-CB 4.26Å; I165-A370 HydrophobicContact CG2-CB 4.36Å; L173-A370 HydrophobicContact CD1-CB 4.2Å; L366-A370 VanDerWaalsContact O-CB 3.3Å; L366-A370 WeakPolarHBondContact O-CB 3.44Å; L366-A370 PolarHBondContact O-N 3.24Å; A370-E373 PolarHBondContact O-N 3.36Å; A370-M374 WeakPolarHBondContact O-CG 3.48Å; A370-M374 PolarHBondContact O-N 3.17Å |
| 371 | K | 96.4 | Very high | 96.6 | Very high | 98 Ų | 98 | 71.4 Ų | 71.4 | 43% | 0.426 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 176.7 | -74.1 | 177.1 | 174.7 | 175.9 | 0 | 113 | T170 E174 L367 R368 L369 R375 | T170-K371 HydrophobicContact CG2-CG 4.1Å; E174-K371 WeakPolarHBondContact OE1-CE 3.24Å; E174-K371 IonicContact OE1-NZ 3.45Å; E174-K371 PolarHBondContact OE1-NZ 2.97Å; L367-K371 HydrophobicContact CD1-CD 4.3Å; L367-K371 HydrophobicContact CD1-CG 4.47Å; L367-K371 HydrophobicContact CG-CD 4.35Å; L367-K371 WeakPolarHBondContact O-CG 3.24Å; L367-K371 PolarHBondContact O-N 2.72Å; L367-K371 VanDerWaalsContact O-N 3.09Å; R368-K371 PolarHBondContact O-N 3.39Å; L369-K371 PolarHBondContact O-N 3.49Å; K371-R375 PolarHBondContact O-N 3.26Å |
| 372 | E | 95.8 | Very high | 96.6 | Very high | 62 Ų | 62 | 74.8 Ų | 74.8 | 29% | 0.29 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 173.9 | -165.5 | -167.8 | 131.6 | 0 | 0 | 111.5 | R368 L369 R375 K376 | R368-E372 IonicContact CZ-OE2 3.7Å; R368-E372 IonicContact NH1-OE2 2.68Å; R368-E372 PolarHBondContact NH1-OE2 2.97Å; R368-E372 PolarHBondContact O-N 3.48Å; L369-E372 PolarHBondContact O-N 2.9Å; E372-R375 WeakPolarHBondContact O-CB 3.32Å; E372-R375 PolarHBondContact O-N 3.26Å; E372-K376 PolarHBondContact O-N 3.05Å; E372-K376 VanDerWaalsContact O-N 3.15Å; E372-K376 VanDerWaalsContact OE1-CE 3.31Å; E372-K376 WeakPolarHBondContact OE1-CE 3.44Å; E372-K376 IonicContact OE1-NZ 3.87Å; E372-K376 PolarHBondContact OE1-NZ 3.48Å |
| 373 | E | 95.6 | Very high | 96.6 | Very high | 54 Ų | 54 | 69 Ų | 69 | 25% | 0.252 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -72 | -38.9 | 179.6 | -173.2 | 52.5 | -142.6 | 0 | 0 | 112.3 | I165 L369 A370 R375 K376 Q377 R380 | I165-E373 HydrophobicContact CD1-CB 4.07Å; I165-E373 HydrophobicContact CD1-CG 4.04Å; L369-E373 WeakPolarHBondContact O-CB 3.43Å; L369-E373 PolarHBondContact O-N 3.34Å; A370-E373 PolarHBondContact O-N 3.36Å; E373-R375 VanDerWaalsContact C-N 3.29Å; E373-R375 PolarHBondContact O-N 3.43Å; E373-K376 CarbonylContact O-C 3.56Å; E373-K376 WeakPolarHBondContact O-CA 3.32Å; E373-K376 WeakPolarHBondContact O-CB 3.42Å; E373-K376 PolarHBondContact O-N 3Å; E373-K376 WeakPolarHBondContact OE2-CD 3.45Å; E373-Q377 WeakPolarHBondContact O-CG 3.48Å; E373-Q377 PolarHBondContact O-N 2.87Å; E373-R380 IonicContact OE1-CZ 2.7Å; E373-R380 IonicContact OE1-NH1 3.58Å; E373-R380 PolarHBondContact OE1-NH1 3.12Å; E373-R380 IonicContact OE1-NH2 2.71Å; E373-R380 PolarHBondContact OE1-NH2 2.84Å |
| 374 | M | 96.3 | Very high | 96.6 | Very high | 29 Ų | 29 | 71.5 Ų | 71.5 | 14% | 0.143 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.5 | -43.5 | 169.7 | -76.7 | -171 | 76.2 | 0 | 0 | 111.8 | I165 T170 A370 K376 Q377 E378 | I165-M374 HydrophobicContact CG2-CG 4.26Å; T170-M374 HydrophobicContact CG2-SD 4.48Å; T170-M374 PolarHBondContact OG1-SD 3.37Å; A370-M374 WeakPolarHBondContact O-CG 3.48Å; A370-M374 PolarHBondContact O-N 3.17Å; M374-K376 VanDerWaalsContact C-N 3.29Å; M374-K376 PolarHBondContact O-N 3.45Å; M374-Q377 WeakPolarHBondContact O-CB 3.42Å; M374-Q377 PolarHBondContact O-N 3.28Å; M374-E378 WeakPolarHBondContact O-CG 3.39Å; M374-E378 PolarHBondContact O-N 3.12Å |
| 375 | R | 95.5 | Very high | 96.6 | Very high | 135 Ų | 135 | 70 Ų | 70 | 51% | 0.509 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.6 | -38.6 | 174.2 | -169.9 | -168.9 | 71 | 145.4 | 7.1 | 111.8 | K371 E372 E373 L379 | K371-R375 PolarHBondContact O-N 3.26Å; E372-R375 WeakPolarHBondContact O-CB 3.32Å; E372-R375 PolarHBondContact O-N 3.26Å; E373-R375 VanDerWaalsContact C-N 3.29Å; E373-R375 PolarHBondContact O-N 3.43Å; R375-L379 WeakPolarHBondContact O-CG 3.14Å; R375-L379 PolarHBondContact O-N 3.04Å |
| 376 | K | 95.6 | Very high | 96.6 | Very high | 65 Ų | 65 | 67.1 Ų | 67.1 | 28% | 0.283 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 175.3 | -68.5 | 170.6 | -173.8 | 166.9 | 0 | 111.6 | E372 E373 M374 L379 R380 L429 | E372-K376 PolarHBondContact O-N 3.05Å; E372-K376 VanDerWaalsContact O-N 3.15Å; E372-K376 VanDerWaalsContact OE1-CE 3.31Å; E372-K376 WeakPolarHBondContact OE1-CE 3.44Å; E372-K376 IonicContact OE1-NZ 3.87Å; E372-K376 PolarHBondContact OE1-NZ 3.48Å; E373-K376 CarbonylContact O-C 3.56Å; E373-K376 WeakPolarHBondContact O-CA 3.32Å; E373-K376 WeakPolarHBondContact O-CB 3.42Å; E373-K376 PolarHBondContact O-N 3Å; E373-K376 WeakPolarHBondContact OE2-CD 3.45Å; M374-K376 VanDerWaalsContact C-N 3.29Å; M374-K376 PolarHBondContact O-N 3.45Å; K376-L379 PolarHBondContact O-N 3.41Å; K376-R380 WeakPolarHBondContact O-CG 3.43Å; K376-R380 PolarHBondContact O-N 2.91Å; K376-L429 HydrophobicContact CB-CD2 4.49Å |
| 377 | Q | 95.9 | Very high | 96.6 | Very high | 24 Ų | 24 | 66.2 Ų | 66.2 | 11% | 0.112 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 173.9 | -68.2 | 167.9 | 7 | 0 | 0 | 112.3 | D164 I165 E373 M374 L379 R380 Q381 | D164-Q377 HydrophobicContact CB-CG 4.36Å; D164-Q377 WeakPolarHBondContact OD1-CG 3.32Å; I165-Q377 PolarHBondContact O-OE1 3.41Å; I165-Q377 VanDerWaalsContact O-OE1 3.05Å; E373-Q377 WeakPolarHBondContact O-CG 3.48Å; E373-Q377 PolarHBondContact O-N 2.87Å; M374-Q377 WeakPolarHBondContact O-CB 3.42Å; M374-Q377 PolarHBondContact O-N 3.28Å; Q377-L379 VanDerWaalsContact C-N 3.33Å; Q377-L379 PolarHBondContact O-N 3.26Å; Q377-R380 PolarHBondContact O-N 3.48Å; Q377-Q381 WeakPolarHBondContact O-CB 3.42Å; Q377-Q381 PolarHBondContact O-N 3.25Å |
| 378 | E | 96.1 | Very high | 96.6 | Very high | 128 Ų | 128 | 69.8 Ų | 69.8 | 60% | 0.598 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -58.2 | -44.9 | 174.6 | -72.7 | -179.3 | 170.6 | 0 | 0 | 111.5 | M374 Q381 R382 | M374-E378 WeakPolarHBondContact O-CG 3.39Å; M374-E378 PolarHBondContact O-N 3.12Å; E378-Q381 PolarHBondContact O-N 3.29Å; E378-R382 WeakPolarHBondContact O-CG 3.18Å; E378-R382 PolarHBondContact O-N 2.74Å |
| 379 | L | 96.6 | Very high | 96.6 | Very high | 17 Ų | 17 | 68 Ų | 68 | 9% | 0.089 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64 | -45.5 | 175.4 | -68.5 | 172.3 | 0 | 0 | 0 | 111.8 | R375 K376 Q377 Q381 R382 V383 I425 L428 L429 | R375-L379 WeakPolarHBondContact O-CG 3.14Å; R375-L379 PolarHBondContact O-N 3.04Å; K376-L379 PolarHBondContact O-N 3.41Å; Q377-L379 VanDerWaalsContact C-N 3.33Å; Q377-L379 PolarHBondContact O-N 3.26Å; L379-Q381 VanDerWaalsContact C-N 3.28Å; L379-Q381 PolarHBondContact O-N 2.93Å; L379-R382 CarbonylContact O-C 3.57Å; L379-R382 WeakPolarHBondContact O-CB 3.33Å; L379-R382 PolarHBondContact O-N 2.77Å; L379-R382 VanDerWaalsContact O-N 3.1Å; L379-V383 WeakPolarHBondContact O-CG2 3.22Å; L379-V383 PolarHBondContact O-N 3.18Å; L379-I425 HydrophobicContact CB-CG2 4.28Å; L379-I425 HydrophobicContact CD2-CG2 4.09Å; L379-I425 WeakPolarHBondContact O-CG2 3.26Å; L379-L428 HydrophobicContact CD1-CB 4.17Å; L379-L428 WeakPolarHBondContact CD1-O 3.41Å; L379-L428 HydrophobicContact CD2-CB 4.34Å; L379-L428 HydrophobicContact CD2-CD1 4.46Å; L379-L429 HydrophobicContact CB-CD1 4.2Å; L379-L429 HydrophobicContact CB-CD2 3.63Å; L379-L429 HydrophobicContact CB-CG 3.8Å; L379-L429 HydrophobicContact CD1-CD2 4.21Å; L379-L429 HydrophobicContact CD1-CG 4.36Å |
| 380 | R | 96.1 | Very high | 96.6 | Very high | 84 Ų | 84 | 66.1 Ų | 66.1 | 32% | 0.317 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.6 | -40.2 | 174.1 | -70.2 | -169.1 | -59.4 | -101.4 | 11.1 | 111.5 | D164 E373 K376 Q377 V383 R384 L429 | D164-R380 IonicContact OD1-NH2 3.95Å; D164-R380 PolarHBondContact OD1-NH2 3.26Å; E373-R380 IonicContact OE1-CZ 2.7Å; E373-R380 IonicContact OE1-NH1 3.58Å; E373-R380 PolarHBondContact OE1-NH1 3.12Å; E373-R380 IonicContact OE1-NH2 2.71Å; E373-R380 PolarHBondContact OE1-NH2 2.84Å; K376-R380 WeakPolarHBondContact O-CG 3.43Å; K376-R380 PolarHBondContact O-N 2.91Å; Q377-R380 PolarHBondContact O-N 3.48Å; R380-V383 PolarHBondContact O-N 3.32Å; R380-R384 WeakPolarHBondContact O-CG 3.34Å; R380-R384 PolarHBondContact O-N 2.98Å; R380-L429 HydrophobicContact CG-CD1 4.26Å; R380-L429 HydrophobicContact CG-CD2 4.01Å |
| 381 | Q | 96.4 | Very high | 96.6 | Very high | 91 Ų | 91 | 70.3 Ų | 70.3 | 43% | 0.425 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66 | -38.4 | 175.5 | -178.2 | 56 | 23 | 0 | 0 | 112 | Q377 E378 L379 R384 V385 | Q377-Q381 WeakPolarHBondContact O-CB 3.42Å; Q377-Q381 PolarHBondContact O-N 3.25Å; E378-Q381 PolarHBondContact O-N 3.29Å; L379-Q381 VanDerWaalsContact C-N 3.28Å; L379-Q381 PolarHBondContact O-N 2.93Å; Q381-R384 PolarHBondContact O-N 2.95Å; Q381-R384 VanDerWaalsContact OE1-CZ 3.28Å; Q381-V385 WeakPolarHBondContact O-CG2 3.49Å; Q381-V385 PolarHBondContact O-N 2.79Å; Q381-V385 VanDerWaalsContact O-N 3.1Å |
| 382 | R | 97.2 | Very high | 96.6 | Very high | 124 Ų | 124 | 69.8 Ų | 69.8 | 47% | 0.468 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.1 | -38 | 172.6 | -71.7 | 176.8 | 63.9 | -165.5 | -2.7 | 112.5 | E378 L379 V385 A386 I425 | E378-R382 WeakPolarHBondContact O-CG 3.18Å; E378-R382 PolarHBondContact O-N 2.74Å; L379-R382 CarbonylContact O-C 3.57Å; L379-R382 WeakPolarHBondContact O-CB 3.33Å; L379-R382 PolarHBondContact O-N 2.77Å; L379-R382 VanDerWaalsContact O-N 3.1Å; R382-V385 PolarHBondContact O-N 2.75Å; R382-A386 PolarHBondContact O-N 3.19Å; R382-I425 HydrophobicContact CB-CD1 3.94Å; R382-I425 HydrophobicContact CB-CG2 4.24Å |
| 383 | V | 97 | Very high | 96.6 | Very high | 14 Ų | 14 | 67 Ų | 67 | 9% | 0.085 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.1 | -48 | 170.5 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | L379 R380 V385 A386 D387 I425 L426 L429 | L379-V383 WeakPolarHBondContact O-CG2 3.22Å; L379-V383 PolarHBondContact O-N 3.18Å; R380-V383 PolarHBondContact O-N 3.32Å; V383-V385 PolarHBondContact O-N 3.18Å; V383-A386 PolarHBondContact O-N 2.89Å; V383-A386 VanDerWaalsContact O-N 3.09Å; V383-D387 WeakPolarHBondContact CG1-OD2 3.3Å; V383-D387 WeakPolarHBondContact O-CB 3.48Å; V383-D387 PolarHBondContact O-N 3.45Å; V383-I425 HydrophobicContact CG2-CB 4Å; V383-I425 HydrophobicContact CG2-CG2 3.43Å; V383-I425 VanDerWaalsContact CG2-CG2 3.43Å; V383-L426 HydrophobicContact CG1-CD2 4.21Å; V383-L426 HydrophobicContact CG2-CD2 4.09Å; V383-L426 HydrophobicContact CG2-CG 4.43Å; V383-L429 HydrophobicContact CG2-CD1 3.58Å |
| 384 | R | 97 | Very high | 96.6 | Very high | 120 Ų | 120 | 69.9 Ų | 69.9 | 45% | 0.453 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.1 | -34.2 | 176.7 | -69.5 | -169.9 | -72 | -134.9 | 2.6 | 112.6 | R380 Q381 N388 | R380-R384 WeakPolarHBondContact O-CG 3.34Å; R380-R384 PolarHBondContact O-N 2.98Å; Q381-R384 PolarHBondContact O-N 2.95Å; Q381-R384 VanDerWaalsContact OE1-CZ 3.28Å; R384-N388 PolarHBondContact O-N 3.38Å; R384-N388 PolarHBondContact O-ND2 3.46Å |
| 385 | V | 97.4 | Very high | 96.6 | Very high | 75 Ų | 75 | 75 Ų | 75 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -71.4 | -49.2 | 173.5 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | Q381 R382 V383 D387 N388 E389 | Q381-V385 WeakPolarHBondContact O-CG2 3.49Å; Q381-V385 PolarHBondContact O-N 2.79Å; Q381-V385 VanDerWaalsContact O-N 3.1Å; R382-V385 PolarHBondContact O-N 2.75Å; V383-V385 PolarHBondContact O-N 3.18Å; V385-D387 VanDerWaalsContact C-N 3.34Å; V385-D387 PolarHBondContact O-N 3.04Å; V385-N388 WeakPolarHBondContact O-CB 3.3Å; V385-N388 PolarHBondContact O-N 3.03Å; V385-N388 VanDerWaalsContact O-N 3.13Å; V385-E389 PolarHBondContact O-N 2.77Å |
| 386 | A | 97 | Very high | 96.6 | Very high | 4 Ų | 4 | 72.7 Ų | 72.7 | 3% | 0.033 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R382 V383 N388 E389 V390 R422 I425 | R382-A386 PolarHBondContact O-N 3.19Å; V383-A386 PolarHBondContact O-N 2.89Å; V383-A386 VanDerWaalsContact O-N 3.09Å; A386-N388 VanDerWaalsContact C-N 3.34Å; A386-N388 PolarHBondContact O-N 3.34Å; A386-E389 PolarHBondContact O-N 3.15Å; A386-V390 WeakPolarHBondContact O-CG2 3.18Å; A386-V390 PolarHBondContact O-N 3.08Å; A386-R422 HydrophobicContact CB-CB 3.98Å; A386-I425 HydrophobicContact CB-CD1 4.19Å |
| 387 | D | 97.3 | Very high | 96.6 | Very high | 54 Ų | 54 | 71.1 Ų | 71.1 | 29% | 0.289 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 173.3 | -79.7 | -27.5 | 0 | 0 | 0 | 112 | V383 V385 V390 M391 R422 | V383-D387 WeakPolarHBondContact CG1-OD2 3.3Å; V383-D387 WeakPolarHBondContact O-CB 3.48Å; V383-D387 PolarHBondContact O-N 3.45Å; V385-D387 VanDerWaalsContact C-N 3.34Å; V385-D387 PolarHBondContact O-N 3.04Å; D387-V390 PolarHBondContact O-N 3.24Å; D387-M391 WeakPolarHBondContact O-CB 3.37Å; D387-M391 VanDerWaalsContact O-CG 3.32Å; D387-M391 WeakPolarHBondContact O-CG 3.48Å; D387-M391 PolarHBondContact O-N 3.19Å; D387-R422 WeakPolarHBondContact OD1-CD 3.41Å; D387-R422 IonicContact OD1-CZ 3.77Å; D387-R422 IonicContact OD1-NE 2.67Å; D387-R422 PolarHBondContact OD1-NE 2.85Å; D387-R422 IonicContact OD1-NH2 3.91Å |
| 388 | N | 97.8 | Very high | 96.6 | Very high | 96 Ų | 96 | 73.1 Ų | 73.1 | 51% | 0.513 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.5 | -41 | 175.1 | -79.8 | -57.3 | 0 | 0 | 0 | 111.6 | R384 V385 A386 M391 E392 | R384-N388 PolarHBondContact O-N 3.38Å; R384-N388 PolarHBondContact O-ND2 3.46Å; V385-N388 WeakPolarHBondContact O-CB 3.3Å; V385-N388 PolarHBondContact O-N 3.03Å; V385-N388 VanDerWaalsContact O-N 3.13Å; A386-N388 VanDerWaalsContact C-N 3.34Å; A386-N388 PolarHBondContact O-N 3.34Å; N388-M391 PolarHBondContact O-N 3.27Å; N388-E392 PolarHBondContact O-N 3.12Å |
| 389 | E | 97 | Very high | 96.6 | Very high | 78 Ų | 78 | 68.9 Ų | 68.9 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 174.7 | -68.3 | -162.5 | -178.5 | 0 | 0 | 112.9 | V385 A386 E392 G393 A418 | V385-E389 PolarHBondContact O-N 2.77Å; A386-E389 PolarHBondContact O-N 3.15Å; E389-E392 PolarHBondContact O-N 3Å; E389-G393 PolarHBondContact O-N 3.4Å; E389-A418 HydrophobicContact CB-CB 3.78Å |
| 390 | V | 97.1 | Very high | 96.5 | Very high | 29 Ų | 29 | 68.2 Ų | 68.2 | 18% | 0.176 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -46.5 | 173.3 | 168.9 | 0 | 0 | 0 | 0 | 110.4 | A386 D387 E392 G393 F394 A418 L419 | A386-V390 WeakPolarHBondContact O-CG2 3.18Å; A386-V390 PolarHBondContact O-N 3.08Å; D387-V390 PolarHBondContact O-N 3.24Å; V390-E392 PolarHBondContact O-N 2.96Å; V390-G393 PolarHBondContact O-N 3.04Å; V390-F394 WeakPolarHBondContact O-CB 3.48Å; V390-F394 PolarHBondContact O-N 3.43Å; V390-A418 HydrophobicContact CG2-CB 3.74Å; V390-L419 HydrophobicContact CG1-CD2 3.78Å; V390-L419 HydrophobicContact CG1-CG 4.4Å; V390-L419 HydrophobicContact CG2-CD2 3.87Å; V390-L419 HydrophobicContact CG2-CG 4.07Å |
| 391 | M | 97.4 | Very high | 96.4 | Very high | 95 Ų | 95 | 71.8 Ų | 71.8 | 47% | 0.468 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 177.7 | -72.3 | -62.5 | -73.9 | 0 | 0 | 112.4 | D387 N388 R395 | D387-M391 WeakPolarHBondContact O-CB 3.37Å; D387-M391 VanDerWaalsContact O-CG 3.32Å; D387-M391 WeakPolarHBondContact O-CG 3.48Å; D387-M391 PolarHBondContact O-N 3.19Å; N388-M391 PolarHBondContact O-N 3.27Å; M391-R395 VanDerWaalsContact O-CG 3.27Å; M391-R395 WeakPolarHBondContact O-CG 3.4Å; M391-R395 PolarHBondContact O-N 3.43Å |
| 392 | E | 96.6 | Very high | 96.3 | Very high | 87 Ų | 87 | 74.8 Ų | 74.8 | 41% | 0.407 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 171.4 | -77.5 | -163.7 | -171.1 | 0 | 0 | 112.7 | N388 E389 V390 F394 R395 R396 | N388-E392 PolarHBondContact O-N 3.12Å; E389-E392 PolarHBondContact O-N 3Å; V390-E392 PolarHBondContact O-N 2.96Å; E392-F394 VanDerWaalsContact C-N 3.29Å; E392-F394 PolarHBondContact O-N 3.11Å; E392-R395 PolarHBondContact O-N 2.79Å; E392-R396 VanDerWaalsContact O-CG 3.28Å; E392-R396 WeakPolarHBondContact O-CG 3.45Å; E392-R396 PolarHBondContact O-N 2.78Å; E392-R396 IonicContact OE2-CZ 2.8Å; E392-R396 IonicContact OE2-NE 3.13Å; E392-R396 IonicContact OE2-NH2 3.57Å; E392-R396 PolarHBondContact OE2-NH2 3.25Å |
| 393 | G | 95.7 | Very high | 96.3 | Very high | 3 Ų | 3 | 77.1 Ų | 77.1 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56 | -45.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | E389 V390 R396 I397 | E389-G393 PolarHBondContact O-N 3.4Å; V390-G393 PolarHBondContact O-N 3.04Å; G393-R396 PolarHBondContact O-N 2.9Å; G393-I397 WeakPolarHBondContact O-CB 3.34Å; G393-I397 WeakPolarHBondContact O-CG1 3.48Å; G393-I397 PolarHBondContact O-N 2.81Å |
| 394 | F | 95.4 | Very high | 96.2 | Very high | 115 Ų | 115 | 86.2 Ų | 86.2 | 50% | 0.504 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.8 | -50.5 | 173.4 | 178.7 | -102 | 0 | 0 | 0 | 112.3 | V390 E392 R396 I397 M398 | V390-F394 WeakPolarHBondContact O-CB 3.48Å; V390-F394 PolarHBondContact O-N 3.43Å; E392-F394 VanDerWaalsContact C-N 3.29Å; E392-F394 PolarHBondContact O-N 3.11Å; F394-R396 VanDerWaalsContact C-N 3.33Å; F394-R396 PolarHBondContact O-N 3.08Å; F394-I397 PolarHBondContact O-N 2.76Å; F394-M398 HydrophobicContact CD1-CG 4.23Å; F394-M398 HydrophobicContact CD2-CG 4.21Å; F394-M398 HydrophobicContact CE1-CG 3.82Å; F394-M398 HydrophobicContact CE2-CG 3.79Å; F394-M398 HydrophobicContact CE2-SD 4.14Å; F394-M398 HydrophobicContact CG-CG 4.42Å; F394-M398 HydrophobicContact CZ-CG 3.59Å; F394-M398 HydrophobicContact CZ-SD 4.12Å; F394-M398 WeakPolarHBondContact O-CB 3.44Å; F394-M398 WeakPolarHBondContact O-CG 3.44Å; F394-M398 PolarHBondContact O-N 3Å |
| 395 | R | 96.8 | Very high | 96.1 | Very high | 138 Ų | 138 | 86 Ų | 86 | 52% | 0.521 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -56.9 | -43.3 | 177.1 | -72.1 | 174.1 | -156.2 | 141.9 | 4.1 | 112 | M391 E392 M398 A399 | M391-R395 VanDerWaalsContact O-CG 3.27Å; M391-R395 WeakPolarHBondContact O-CG 3.4Å; M391-R395 PolarHBondContact O-N 3.43Å; E392-R395 PolarHBondContact O-N 2.79Å; R395-M398 PolarHBondContact O-N 2.87Å; R395-A399 VanDerWaalsContact O-CB 3.32Å; R395-A399 WeakPolarHBondContact O-CB 3.46Å; R395-A399 PolarHBondContact O-N 3.44Å |
| 396 | R | 95.6 | Very high | 95.9 | Very high | 86 Ų | 86 | 87.7 Ų | 87.7 | 33% | 0.325 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 177.9 | -67 | 174.8 | -147.5 | 163.8 | 5.9 | 111.8 | E392 G393 F394 A399 A400 | E392-R396 VanDerWaalsContact O-CG 3.28Å; E392-R396 WeakPolarHBondContact O-CG 3.45Å; E392-R396 PolarHBondContact O-N 2.78Å; E392-R396 IonicContact OE2-CZ 2.8Å; E392-R396 IonicContact OE2-NE 3.13Å; E392-R396 IonicContact OE2-NH2 3.57Å; E392-R396 PolarHBondContact OE2-NH2 3.25Å; G393-R396 PolarHBondContact O-N 2.9Å; F394-R396 VanDerWaalsContact C-N 3.33Å; F394-R396 PolarHBondContact O-N 3.08Å; R396-A399 PolarHBondContact O-N 2.8Å; R396-A400 PolarHBondContact O-N 3.2Å |
| 397 | I | 95.1 | Very high | 95.7 | Very high | 32 Ų | 32 | 88.2 Ų | 88.2 | 16% | 0.164 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.3 | -44 | 175.2 | -74.5 | 168.1 | 0 | 0 | 0 | 111.1 | G393 F394 A400 R401 P407 A415 | G393-I397 WeakPolarHBondContact O-CB 3.34Å; G393-I397 WeakPolarHBondContact O-CG1 3.48Å; G393-I397 PolarHBondContact O-N 2.81Å; F394-I397 PolarHBondContact O-N 2.76Å; I397-A400 PolarHBondContact O-N 3.35Å; I397-R401 WeakPolarHBondContact O-CG 3.41Å; I397-R401 PolarHBondContact O-N 3.35Å; I397-R401 VanDerWaalsContact O-N 3.07Å; I397-P407 HydrophobicContact CB-CG 4.48Å; I397-P407 HydrophobicContact CG1-CB 4.22Å; I397-P407 HydrophobicContact CG2-CG 3.95Å; I397-A415 HydrophobicContact CD1-CB 3.72Å |
| 398 | M | 95.4 | Very high | 95.6 | Very high | 65 Ų | 65 | 88.4 Ų | 88.4 | 32% | 0.32 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.1 | -40 | 178.1 | -69.7 | -58.9 | -71.9 | 0 | 0 | 112.2 | F394 R395 A400 R401 Q402 | F394-M398 HydrophobicContact CD1-CG 4.23Å; F394-M398 HydrophobicContact CD2-CG 4.21Å; F394-M398 HydrophobicContact CE1-CG 3.82Å; F394-M398 HydrophobicContact CE2-CG 3.79Å; F394-M398 HydrophobicContact CE2-SD 4.14Å; F394-M398 HydrophobicContact CG-CG 4.42Å; F394-M398 HydrophobicContact CZ-CG 3.59Å; F394-M398 HydrophobicContact CZ-SD 4.12Å; F394-M398 WeakPolarHBondContact O-CB 3.44Å; F394-M398 WeakPolarHBondContact O-CG 3.44Å; F394-M398 PolarHBondContact O-N 3Å; R395-M398 PolarHBondContact O-N 2.87Å; M398-A400 VanDerWaalsContact C-N 3.34Å; M398-A400 PolarHBondContact O-N 3.25Å; M398-R401 PolarHBondContact O-N 3.31Å; M398-Q402 WeakPolarHBondContact O-CG 3.43Å; M398-Q402 PolarHBondContact O-N 2.95Å |
| 399 | A | 95.8 | Very high | 95.5 | Very high | 39 Ų | 39 | 91.3 Ų | 91.3 | 32% | 0.322 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64 | -36.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R395 R396 K403 | R395-A399 VanDerWaalsContact O-CB 3.32Å; R395-A399 WeakPolarHBondContact O-CB 3.46Å; R395-A399 PolarHBondContact O-N 3.44Å; R396-A399 PolarHBondContact O-N 2.8Å; A399-K403 WeakPolarHBondContact O-CG 3.39Å; A399-K403 PolarHBondContact O-N 2.99Å |
| 400 | A | 95.1 | Very high | 95.4 | Very high | 4 Ų | 4 | 95.4 Ų | 95.4 | 3% | 0.033 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R396 I397 M398 Q402 K403 K404 R405 P407 | R396-A400 PolarHBondContact O-N 3.2Å; I397-A400 PolarHBondContact O-N 3.35Å; M398-A400 VanDerWaalsContact C-N 3.34Å; M398-A400 PolarHBondContact O-N 3.25Å; A400-Q402 PolarHBondContact O-N 2.87Å; A400-K403 CarbonylContact O-C 3.54Å; A400-K403 PolarHBondContact O-N 3.27Å; A400-K403 VanDerWaalsContact O-N 3.16Å; A400-K404 PolarHBondContact O-N 2.95Å; A400-R405 CarbonylContact C-O 3.51Å; A400-R405 PolarHBondContact O-N 2.89Å; A400-P407 HydrophobicContact CB-CB 4.47Å; A400-P407 HydrophobicContact CB-CG 4.26Å |
| 401 | R | 93.8 | Very high | 95.2 | Very high | 158 Ų | 158 | 96 Ų | 96 | 60% | 0.596 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -60 | -42.8 | 176.6 | -73.5 | 174.5 | 169.5 | -173.7 | -4.1 | 112.8 | I397 M398 K403 K404 P407 | I397-R401 WeakPolarHBondContact O-CG 3.41Å; I397-R401 PolarHBondContact O-N 3.35Å; I397-R401 VanDerWaalsContact O-N 3.07Å; M398-R401 PolarHBondContact O-N 3.31Å; R401-K403 VanDerWaalsContact C-N 3.29Å; R401-K403 PolarHBondContact O-N 3.05Å; R401-K404 WeakPolarHBondContact O-CA 3.42Å; R401-K404 PolarHBondContact O-N 3.3Å; R401-P407 HydrophobicContact CG-CG 4.34Å |
| 402 | Q | 95.9 | Very high | 95 | Very high | 154 Ų | 154 | 96.5 Ų | 96.5 | 72% | 0.72 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -59.7 | -38.2 | 175 | -76.7 | 174.4 | -14.6 | 0 | 0 | 112.2 | M398 A400 K404 | M398-Q402 WeakPolarHBondContact O-CG 3.43Å; M398-Q402 PolarHBondContact O-N 2.95Å; A400-Q402 PolarHBondContact O-N 2.87Å; Q402-K404 PolarHBondContact O-N 2.92Å; Q402-K404 VanDerWaalsContact O-N 3.13Å |
| 403 | K | 96.3 | Very high | 95 | Very high | 173 Ų | 173 | 96.4 Ų | 96.4 | 75% | 0.752 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | 13.7 | 173.1 | -66.2 | 177.6 | -178.2 | -175.1 | 0 | 113.6 | A399 A400 R401 R405 | A399-K403 WeakPolarHBondContact O-CG 3.39Å; A399-K403 PolarHBondContact O-N 2.99Å; A400-K403 CarbonylContact O-C 3.54Å; A400-K403 PolarHBondContact O-N 3.27Å; A400-K403 VanDerWaalsContact O-N 3.16Å; R401-K403 VanDerWaalsContact C-N 3.29Å; R401-K403 PolarHBondContact O-N 3.05Å; K403-R405 PolarHBondContact O-N 3.15Å |
| 404 | K | 95 | Very high | 94.9 | Very high | 205 Ų | 205 | 100.2 Ų | 100.2 | 89% | 0.891 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 24.5 | -174.1 | -58.7 | -176.8 | 179.9 | -179.7 | 0 | 113.7 | A400 R401 Q402 | A400-K404 PolarHBondContact O-N 2.95Å; R401-K404 WeakPolarHBondContact O-CA 3.42Å; R401-K404 PolarHBondContact O-N 3.3Å; Q402-K404 PolarHBondContact O-N 2.92Å; Q402-K404 VanDerWaalsContact O-N 3.13Å |
| 405 | R | 95.1 | Very high | 94.9 | Very high | 117 Ų | 117 | 95.3 Ų | 95.3 | 44% | 0.442 | 44% | 0.438 | S | S | . | . | trans | -104.2 | 132.9 | -179.6 | -165.2 | -164.8 | 72.4 | -177 | -3.5 | 109.9 | A400 K403 E411 | A400-R405 CarbonylContact C-O 3.51Å; A400-R405 PolarHBondContact O-N 2.89Å; K403-R405 PolarHBondContact O-N 3.15Å; R405-E411 IonicContact CZ-OE1 2.72Å; R405-E411 IonicContact CZ-OE2 2.73Å; R405-E411 IonicContact NH2-OE1 2.72Å; R405-E411 PolarHBondContact NH2-OE1 3.38Å; R405-E411 IonicContact NH2-OE2 3.89Å; R405-E411 PolarHBondContact NH2-OE2 2.97Å | ||
| 406 | T | 92.4 | Very high | 94.8 | Very high | 109 Ų | 109 | 96.7 Ų | 96.7 | 67% | 0.669 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 132 | 168.1 | -53 | 0 | 0 | 0 | 0 | 109.8 | T408 | T406-T408 PolarHBondContact O-N 3.06Š|
| 407 | P | 93.4 | Very high | 94.9 | Very high | 16 Ų | 16 | 98.8 Ų | 98.8 | 10% | 0.104 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 131.9 | 171.8 | -23.1 | 32.2 | 0 | 0 | 0 | 110.5 | I397 A400 R401 K412 | I397-P407 HydrophobicContact CB-CG 4.48Å; I397-P407 HydrophobicContact CG1-CB 4.22Å; I397-P407 HydrophobicContact CG2-CG 3.95Å; A400-P407 HydrophobicContact CB-CB 4.47Å; A400-P407 HydrophobicContact CB-CG 4.26Å; R401-P407 HydrophobicContact CG-CG 4.34Å; P407-K412 HydrophobicContact CB-CG 4.23Å; P407-K412 WeakPolarHBondContact O-CE 3.49Å |
| 408 | T | 94.8 | Very high | 94.9 | Very high | 57 Ų | 57 | 97.4 Ų | 97.4 | 35% | 0.35 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 158.7 | -178.9 | 62.2 | 0 | 0 | 0 | 0 | 110.9 | T406 K410 E411 K412 | T406-T408 PolarHBondContact O-N 3.06Å; T408-K410 VanDerWaalsContact C-N 3.28Å; T408-K410 PolarHBondContact O-N 2.72Å; T408-E411 WeakPolarHBondContact CB-OE2 3.42Å; T408-E411 PolarHBondContact N-OE2 3.35Å; T408-E411 PolarHBondContact O-N 3.33Å; T408-E411 WeakPolarHBondContact OG1-CB 3.16Å; T408-E411 VanDerWaalsContact OG1-CG 3.24Å; T408-E411 WeakPolarHBondContact OG1-CG 3.31Å; T408-E411 PolarHBondContact OG1-N 3.33Å; T408-E411 PolarHBondContact OG1-OE2 3.21Å; T408-K412 PolarHBondContact O-N 2.8Å; T408-K412 VanDerWaalsContact O-N 3.09Å |
| 409 | K | 95.4 | Very high | 95 | Very high | 157 Ų | 157 | 98.3 Ų | 98.3 | 68% | 0.683 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -53.6 | -47 | 174.1 | -176 | 179.4 | 175.6 | -176 | 0 | 111.1 | E411 K412 D413 | K409-E411 VanDerWaalsContact C-N 3.35Å; K409-E411 PolarHBondContact O-N 2.77Å; K409-K412 PolarHBondContact O-N 2.88Å; K409-K412 VanDerWaalsContact O-N 3.13Å; K409-D413 VanDerWaalsContact CE-OD2 3.24Å; K409-D413 WeakPolarHBondContact CE-OD2 3.34Å; K409-D413 WeakPolarHBondContact CG-OD2 3.48Å; K409-D413 WeakPolarHBondContact O-CB 3.36Å; K409-D413 PolarHBondContact O-N 2.97Å |
| 410 | K | 94.6 | Very high | 95.1 | Very high | 165 Ų | 165 | 101 Ų | 101 | 72% | 0.717 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -57.4 | -41.1 | 177.9 | -171.6 | 176.5 | -179.4 | 178.7 | 0 | 113.5 | T408 Q414 | T408-K410 VanDerWaalsContact C-N 3.28Å; T408-K410 PolarHBondContact O-N 2.72Å; K410-Q414 WeakPolarHBondContact O-CB 3.4Å; K410-Q414 PolarHBondContact O-N 3.43Å |
| 411 | E | 93.8 | Very high | 95.2 | Very high | 41 Ų | 41 | 104.1 Ų | 104.1 | 19% | 0.192 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -67.7 | -39.3 | 177 | -73 | 157.9 | 159.9 | 0 | 0 | 112.1 | R405 T408 K409 A415 | R405-E411 IonicContact CZ-OE1 2.72Å; R405-E411 IonicContact CZ-OE2 2.73Å; R405-E411 IonicContact NH2-OE1 2.72Å; R405-E411 PolarHBondContact NH2-OE1 3.38Å; R405-E411 IonicContact NH2-OE2 3.89Å; R405-E411 PolarHBondContact NH2-OE2 2.97Å; T408-E411 WeakPolarHBondContact CB-OE2 3.42Å; T408-E411 PolarHBondContact N-OE2 3.35Å; T408-E411 PolarHBondContact O-N 3.33Å; T408-E411 WeakPolarHBondContact OG1-CB 3.16Å; T408-E411 VanDerWaalsContact OG1-CG 3.24Å; T408-E411 WeakPolarHBondContact OG1-CG 3.31Å; T408-E411 PolarHBondContact OG1-N 3.33Å; T408-E411 PolarHBondContact OG1-OE2 3.21Å; K409-E411 VanDerWaalsContact C-N 3.35Å; K409-E411 PolarHBondContact O-N 2.77Å; E411-A415 PolarHBondContact O-N 3.42Å |
| 412 | K | 93.8 | Very high | 95.3 | Very high | 106 Ų | 106 | 101 Ų | 101 | 46% | 0.461 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.5 | -48.5 | 175.4 | -67.2 | 176.4 | 179.4 | 178.3 | 0 | 111.7 | P407 T408 K409 Q414 A415 W416 | P407-K412 HydrophobicContact CB-CG 4.23Å; P407-K412 WeakPolarHBondContact O-CE 3.49Å; T408-K412 PolarHBondContact O-N 2.8Å; T408-K412 VanDerWaalsContact O-N 3.09Å; K409-K412 PolarHBondContact O-N 2.88Å; K409-K412 VanDerWaalsContact O-N 3.13Å; K412-Q414 VanDerWaalsContact C-N 3.3Å; K412-Q414 PolarHBondContact O-N 3.49Å; K412-A415 PolarHBondContact O-N 3.1Å; K412-W416 WeakPolarHBondContact O-CB 3.29Å; K412-W416 PolarHBondContact O-N 3.21Å |
| 413 | D | 95.4 | Very high | 95.4 | Very high | 85 Ų | 85 | 97 Ų | 97 | 46% | 0.455 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61 | -39.3 | -179.7 | -65.8 | -3.9 | 0 | 0 | 0 | 110.9 | K409 W416 K417 | K409-D413 VanDerWaalsContact CE-OD2 3.24Å; K409-D413 WeakPolarHBondContact CE-OD2 3.34Å; K409-D413 WeakPolarHBondContact CG-OD2 3.48Å; K409-D413 WeakPolarHBondContact O-CB 3.36Å; K409-D413 PolarHBondContact O-N 2.97Å; D413-W416 PolarHBondContact O-N 3.5Å; D413-K417 WeakPolarHBondContact O-CB 3.43Å; D413-K417 PolarHBondContact O-N 3.47Å |
| 414 | Q | 94.4 | Very high | 95.4 | Very high | 83 Ų | 83 | 92 Ų | 92 | 39% | 0.388 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.4 | -41.9 | 177.1 | -170.9 | 167.4 | 10.6 | 0 | 0 | 112.7 | K410 K412 W416 K417 A418 | K410-Q414 WeakPolarHBondContact O-CB 3.4Å; K410-Q414 PolarHBondContact O-N 3.43Å; K412-Q414 VanDerWaalsContact C-N 3.3Å; K412-Q414 PolarHBondContact O-N 3.49Å; Q414-W416 VanDerWaalsContact C-N 3.33Å; Q414-K417 PolarHBondContact O-N 3.08Å; Q414-A418 PolarHBondContact O-N 3.19Å; Q414-A418 VanDerWaalsContact O-N 3.07Å |
| 415 | A | 94.8 | Very high | 95.5 | Very high | 12 Ų | 12 | 82.4 Ų | 82.4 | 10% | 0.099 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I397 E411 K412 A418 L419 | I397-A415 HydrophobicContact CD1-CB 3.72Å; E411-A415 PolarHBondContact O-N 3.42Å; K412-A415 PolarHBondContact O-N 3.1Å; A415-A418 PolarHBondContact O-N 3.11Å; A415-L419 WeakPolarHBondContact O-CG 3.3Å; A415-L419 PolarHBondContact O-N 2.81Å; A415-L419 VanDerWaalsContact O-N 3.09Å |
| 416 | W | 96.1 | Very high | 95.5 | Very high | 167 Ų | 167 | 79 Ų | 79 | 63% | 0.633 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66.2 | -41 | 175.7 | -171.7 | -96.9 | 0 | 0 | 0 | 112.4 | K412 D413 Q414 L419 K420 | K412-W416 WeakPolarHBondContact O-CB 3.29Å; K412-W416 PolarHBondContact O-N 3.21Å; D413-W416 PolarHBondContact O-N 3.5Å; Q414-W416 VanDerWaalsContact C-N 3.33Å; W416-L419 PolarHBondContact O-N 3.18Å; W416-K420 PolarHBondContact O-N 3.17Å |
| 417 | K | 96.8 | Very high | 95.6 | Very high | 130 Ų | 130 | 80.1 Ų | 80.1 | 57% | 0.565 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -58.4 | -50.5 | 173.2 | -176.7 | -171.8 | 169.5 | -165.8 | 0 | 110.9 | D413 Q414 L419 K420 E421 | D413-K417 WeakPolarHBondContact O-CB 3.43Å; D413-K417 PolarHBondContact O-N 3.47Å; Q414-K417 PolarHBondContact O-N 3.08Å; K417-L419 VanDerWaalsContact C-N 3.3Å; K417-L419 PolarHBondContact O-N 3.32Å; K417-K420 PolarHBondContact O-N 2.79Å; K417-K420 VanDerWaalsContact O-N 3.11Å; K417-E421 WeakPolarHBondContact O-CB 3.38Å; K417-E421 PolarHBondContact O-N 3.21Å |
| 418 | A | 96.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 83.6 Ų | 83.6 | 2% | 0.017 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.7 | -40.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E389 V390 Q414 A415 E421 R422 | E389-A418 HydrophobicContact CB-CB 3.78Å; V390-A418 HydrophobicContact CG2-CB 3.74Å; Q414-A418 PolarHBondContact O-N 3.19Å; Q414-A418 VanDerWaalsContact O-N 3.07Å; A415-A418 PolarHBondContact O-N 3.11Å; A418-E421 PolarHBondContact O-N 3.03Å; A418-R422 WeakPolarHBondContact O-CB 3.23Å; A418-R422 PolarHBondContact O-N 2.91Å |
| 419 | L | 96.9 | Very high | 95.4 | Very high | 84 Ų | 84 | 83.3 Ų | 83.3 | 44% | 0.44 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 173.6 | -75.1 | 169.6 | 0 | 0 | 0 | 112.7 | V390 A415 W416 K417 E423 | V390-L419 HydrophobicContact CG1-CD2 3.78Å; V390-L419 HydrophobicContact CG1-CG 4.4Å; V390-L419 HydrophobicContact CG2-CD2 3.87Å; V390-L419 HydrophobicContact CG2-CG 4.07Å; A415-L419 WeakPolarHBondContact O-CG 3.3Å; A415-L419 PolarHBondContact O-N 2.81Å; A415-L419 VanDerWaalsContact O-N 3.09Å; W416-L419 PolarHBondContact O-N 3.18Å; K417-L419 VanDerWaalsContact C-N 3.3Å; K417-L419 PolarHBondContact O-N 3.32Å; L419-E423 WeakPolarHBondContact O-CB 3.36Å; L419-E423 PolarHBondContact O-N 3.39Å |
| 420 | K | 97.6 | Very high | 95 | Very high | 95 Ų | 95 | 82.4 Ų | 82.4 | 41% | 0.413 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70.8 | -35.4 | 178.7 | -77.2 | -72.7 | 162.7 | -160.4 | 0 | 113 | W416 K417 E423 S424 | W416-K420 PolarHBondContact O-N 3.17Å; K417-K420 PolarHBondContact O-N 2.79Å; K417-K420 VanDerWaalsContact O-N 3.11Å; K420-E423 IonicContact NZ-OE1 3.42Å; K420-E423 IonicContact NZ-OE2 2.92Å; K420-E423 PolarHBondContact NZ-OE2 3.02Å; K420-S424 WeakPolarHBondContact O-CB 3.16Å; K420-S424 PolarHBondContact O-N 3.45Å |
| 421 | E | 96.6 | Very high | 93.7 | Very high | 70 Ų | 70 | 79.3 Ų | 79.3 | 33% | 0.327 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.1 | -46.7 | 173.8 | -177.5 | 153.9 | -174 | 0 | 0 | 110.9 | K417 A418 E423 S424 I425 | K417-E421 WeakPolarHBondContact O-CB 3.38Å; K417-E421 PolarHBondContact O-N 3.21Å; A418-E421 PolarHBondContact O-N 3.03Å; E421-E423 PolarHBondContact O-N 3.27Å; E421-S424 PolarHBondContact O-N 3.22Å; E421-I425 HydrophobicContact CG-CD1 3.87Å; E421-I425 WeakPolarHBondContact O-CD1 3.35Å; E421-I425 VanDerWaalsContact O-CG1 3.27Å; E421-I425 WeakPolarHBondContact O-CG1 3.49Å; E421-I425 PolarHBondContact O-N 3.37Å |
| 422 | R | 97.1 | Very high | 93.7 | Very high | 92 Ų | 92 | 81.3 Ų | 81.3 | 35% | 0.347 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -54.1 | -50.8 | 171.5 | -176.1 | -165.1 | -173.4 | -90.7 | -9.5 | 112.2 | A386 D387 A418 S424 I425 L426 | A386-R422 HydrophobicContact CB-CB 3.98Å; D387-R422 WeakPolarHBondContact OD1-CD 3.41Å; D387-R422 IonicContact OD1-CZ 3.77Å; D387-R422 IonicContact OD1-NE 2.67Å; D387-R422 PolarHBondContact OD1-NE 2.85Å; D387-R422 IonicContact OD1-NH2 3.91Å; A418-R422 WeakPolarHBondContact O-CB 3.23Å; A418-R422 PolarHBondContact O-N 2.91Å; R422-S424 VanDerWaalsContact C-N 3.29Å; R422-S424 PolarHBondContact O-N 3.12Å; R422-I425 PolarHBondContact O-N 3.4Å; R422-L426 HydrophobicContact CG-CD1 4.12Å; R422-L426 WeakPolarHBondContact O-CG 3.32Å; R422-L426 PolarHBondContact O-N 3.33Å |
| 423 | E | 96.8 | Very high | 93.6 | Very high | 72 Ų | 72 | 79.9 Ų | 79.9 | 34% | 0.336 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.9 | -40.5 | 178 | -169.1 | -162.8 | 141.6 | 0 | 0 | 111.8 | L419 K420 E421 K427 | L419-E423 WeakPolarHBondContact O-CB 3.36Å; L419-E423 PolarHBondContact O-N 3.39Å; K420-E423 IonicContact NZ-OE1 3.42Å; K420-E423 IonicContact NZ-OE2 2.92Å; K420-E423 PolarHBondContact NZ-OE2 3.02Å; E421-E423 PolarHBondContact O-N 3.27Å; E423-K427 WeakPolarHBondContact O-CG 3.5Å; E423-K427 PolarHBondContact O-N 2.83Å; E423-K427 IonicContact OE1-NZ 2.68Å; E423-K427 PolarHBondContact OE1-NZ 3.33Å |
| 424 | S | 97 | Very high | 93.6 | Very high | 68 Ų | 68 | 79.7 Ų | 79.7 | 48% | 0.476 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.3 | -34 | 177.8 | -172.2 | 0 | 0 | 0 | 0 | 113.3 | K420 E421 R422 L428 | K420-S424 WeakPolarHBondContact O-CB 3.16Å; K420-S424 PolarHBondContact O-N 3.45Å; E421-S424 PolarHBondContact O-N 3.22Å; R422-S424 VanDerWaalsContact C-N 3.29Å; R422-S424 PolarHBondContact O-N 3.12Å; S424-L428 WeakPolarHBondContact O-CG 3.31Å |
| 425 | I | 95.9 | Very high | 93.5 | Very high | 2 Ų | 2 | 79.5 Ų | 79.5 | 1% | 0.01 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -77.7 | -38.5 | 179.5 | -58.5 | 154.8 | 0 | 0 | 0 | 110.4 | L379 R382 V383 A386 E421 R422 K427 L428 L429 | L379-I425 HydrophobicContact CB-CG2 4.28Å; L379-I425 HydrophobicContact CD2-CG2 4.09Å; L379-I425 WeakPolarHBondContact O-CG2 3.26Å; R382-I425 HydrophobicContact CB-CD1 3.94Å; R382-I425 HydrophobicContact CB-CG2 4.24Å; V383-I425 HydrophobicContact CG2-CB 4Å; V383-I425 HydrophobicContact CG2-CG2 3.43Å; V383-I425 VanDerWaalsContact CG2-CG2 3.43Å; A386-I425 HydrophobicContact CB-CD1 4.19Å; E421-I425 HydrophobicContact CG-CD1 3.87Å; E421-I425 WeakPolarHBondContact O-CD1 3.35Å; E421-I425 VanDerWaalsContact O-CG1 3.27Å; E421-I425 WeakPolarHBondContact O-CG1 3.49Å; E421-I425 PolarHBondContact O-N 3.37Å; R422-I425 PolarHBondContact O-N 3.4Å; I425-K427 VanDerWaalsContact C-N 3.34Å; I425-K427 PolarHBondContact O-N 3.19Å; I425-L428 WeakPolarHBondContact O-CB 3.48Å; I425-L428 PolarHBondContact O-N 2.88Å; I425-L429 PolarHBondContact O-N 3.2Å |
| 426 | L | 95.2 | Very high | 93.4 | Very high | 46 Ų | 46 | 83.7 Ų | 83.7 | 24% | 0.241 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 174.6 | -70.8 | 170.3 | 0 | 0 | 0 | 111.7 | V383 R422 L428 L429 D430 | V383-L426 HydrophobicContact CG1-CD2 4.21Å; V383-L426 HydrophobicContact CG2-CD2 4.09Å; V383-L426 HydrophobicContact CG2-CG 4.43Å; R422-L426 HydrophobicContact CG-CD1 4.12Å; R422-L426 WeakPolarHBondContact O-CG 3.32Å; R422-L426 PolarHBondContact O-N 3.33Å; L426-L428 PolarHBondContact O-N 2.76Å; L426-L429 WeakPolarHBondContact O-CA 3.27Å; L426-L429 WeakPolarHBondContact O-CB 3.45Å; L426-L429 PolarHBondContact O-N 3.17Å; L426-D430 VanDerWaalsContact O-CG 3.28Å; L426-D430 PolarHBondContact O-N 3.23Å |
| 427 | K | 95.6 | Very high | 93.2 | Very high | 133 Ų | 133 | 78.1 Ų | 78.1 | 58% | 0.578 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -18.4 | 172.7 | -76.6 | 170.9 | 170.8 | 172.1 | 0 | 115.1 | E423 I425 | E423-K427 WeakPolarHBondContact O-CG 3.5Å; E423-K427 PolarHBondContact O-N 2.83Å; E423-K427 IonicContact OE1-NZ 2.68Å; E423-K427 PolarHBondContact OE1-NZ 3.33Å; I425-K427 VanDerWaalsContact C-N 3.34Å; I425-K427 PolarHBondContact O-N 3.19Å |
| 428 | L | 93.6 | Very high | 93 | Very high | 89 Ų | 89 | 74.4 Ų | 74.4 | 47% | 0.466 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -5.6 | 174.5 | -65.9 | 170.5 | 0 | 0 | 0 | 113.1 | L379 S424 I425 L426 | L379-L428 HydrophobicContact CD1-CB 4.17Å; L379-L428 WeakPolarHBondContact CD1-O 3.41Å; L379-L428 HydrophobicContact CD2-CB 4.34Å; L379-L428 HydrophobicContact CD2-CD1 4.46Å; S424-L428 WeakPolarHBondContact O-CG 3.31Å; I425-L428 WeakPolarHBondContact O-CB 3.48Å; I425-L428 PolarHBondContact O-N 2.88Å; L426-L428 PolarHBondContact O-N 2.76Å |
| 429 | L | 90.8 | Very high | 92.8 | Very high | 51 Ų | 51 | 80 Ų | 80 | 27% | 0.267 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -32.3 | 172.5 | -79.4 | 166.2 | 0 | 0 | 0 | 111.8 | K376 L379 R380 V383 I425 L426 G431 | K376-L429 HydrophobicContact CB-CD2 4.49Å; L379-L429 HydrophobicContact CB-CD1 4.2Å; L379-L429 HydrophobicContact CB-CD2 3.63Å; L379-L429 HydrophobicContact CB-CG 3.8Å; L379-L429 HydrophobicContact CD1-CD2 4.21Å; L379-L429 HydrophobicContact CD1-CG 4.36Å; R380-L429 HydrophobicContact CG-CD1 4.26Å; R380-L429 HydrophobicContact CG-CD2 4.01Å; V383-L429 HydrophobicContact CG2-CD1 3.58Å; I425-L429 PolarHBondContact O-N 3.2Å; L426-L429 WeakPolarHBondContact O-CA 3.27Å; L426-L429 WeakPolarHBondContact O-CB 3.45Å; L426-L429 PolarHBondContact O-N 3.17Å; L429-G431 VanDerWaalsContact C-N 3.27Å; L429-G431 PolarHBondContact O-N 3.35Å |
| 430 | D | 86.6 | Confident | 92.4 | Very high | 137 Ų | 137 | 79.7 Ų | 79.7 | 73% | 0.733 | 44% | 0.436 | S | S | * | . | trans | -80.6 | -3 | 179.8 | -59.8 | -28.3 | 0 | 0 | 0 | 113.4 | L426 | L426-D430 VanDerWaalsContact O-CG 3.28Å; L426-D430 PolarHBondContact O-N 3.23Å | ||
| 431 | G | 66.4 | Low | 91.9 | Very high | 101 Ų | 101 | 78.3 Ų | 78.3 | 100% | 1.041 | 44% | 0.438 | S | S | * | . | trans | -137.7 | 0 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L429 | L429-G431 VanDerWaalsContact C-N 3.27Å; L429-G431 PolarHBondContact O-N 3.35Å |
Retrieved 431 of 431 residues in 78.4 ms
(Link to these results)