| 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 | 41.2 | Very low | 59.4 | Low | 243 Ų | 243 | 159.5 Ų | 159.5 | 100% | 1.197 | 75% | 0.751 | S | S | * | * | 0 | 119.7 | 0 | -73.7 | -152.2 | -84.7 | 0 | 0 | 108.8 | |||||
| 2 | R | 43.2 | Very low | 60.7 | Low | 258 Ų | 258 | 150.6 Ų | 150.6 | 97% | 0.974 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 129.3 | 176.9 | -77.7 | -179 | 176 | 163.7 | -1.9 | 109.4 | ||
| 3 | R | 45.2 | Very low | 61.8 | Low | 252 Ų | 252 | 144.2 Ų | 144.2 | 95% | 0.951 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 128.4 | 172 | -70.5 | -174.8 | 177.2 | -169.3 | -0.6 | 108.5 | ||
| 4 | M | 49.4 | Very low | 62.9 | Low | 183 Ų | 183 | 140.9 Ų | 140.9 | 90% | 0.901 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 131.7 | 172.3 | -68.5 | -81.2 | -82.1 | 0 | 0 | 109 | ||
| 5 | A | 65 | Low | 63.5 | Low | 96 Ų | 96 | 136.7 Ų | 136.7 | 79% | 0.793 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 140.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 6 | L | 51.2 | Low | 64 | Low | 175 Ų | 175 | 129.1 Ų | 129.1 | 92% | 0.916 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 118.1 | 175.3 | -71.4 | 158.4 | 0 | 0 | 0 | 108.9 | ||
| 7 | K | 66.3 | Low | 64.1 | Low | 166 Ų | 166 | 129.7 Ų | 129.7 | 72% | 0.722 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 142.2 | 176 | -65.4 | -172.8 | 174.4 | -164 | 0 | 111.3 | L9 | K7-L9 PolarHBondContact O-N 3.25Š|
| 8 | K | 71.8 | Confident | 65 | Low | 129 Ų | 129 | 124.9 Ų | 124.9 | 56% | 0.561 | 60% | 0.595 | S | S | * | * | trans | -80.9 | 108.2 | 174.2 | -67.5 | -170.4 | -148.7 | 96.1 | 0 | 111.4 | F23 D24 | K8-F23 PolarHBondContact O-N 3Å; K8-D24 WeakPolarHBondContact CB-OD2 3.47Å; K8-D24 WeakPolarHBondContact CG-OD2 3.5Å; K8-D24 VanDerWaalsContact NZ-CG 3.26Å; K8-D24 IonicContact NZ-OD1 2.82Å; K8-D24 PolarHBondContact NZ-OD1 2.9Å; K8-D24 IonicContact NZ-OD2 2.83Å; K8-D24 PolarHBondContact NZ-OD2 3.37Å | ||
| 9 | L | 71.1 | Confident | 64.9 | Low | 85 Ų | 85 | 122.6 Ų | 122.6 | 45% | 0.445 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.1 | 131.9 | 169.5 | -103.3 | 73.3 | 0 | 0 | 0 | 110.5 | K7 L20 D22 | K7-L9 PolarHBondContact O-N 3.25Å; L9-L20 HydrophobicContact CD2-CB 4.38Å; L9-L20 HydrophobicContact CD2-CD2 3.39Å; L9-L20 HydrophobicContact CD2-CG 3.81Å; L9-L20 HydrophobicContact CG-CD2 4.49Å; L9-D22 WeakPolarHBondContact CD1-OD1 3.46Å; L9-D22 WeakPolarHBondContact CG-OD1 3.17Å |
| 10 | K | 76.5 | Confident | 65.6 | Low | 123 Ų | 123 | 121.5 Ų | 121.5 | 54% | 0.535 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.9 | 117.4 | 163.1 | -173.3 | 167 | -173.2 | 161.7 | 0 | 109.6 | L21 F23 | K10-L21 HydrophobicContact CB-CB 4.35Å; K10-L21 WeakPolarHBondContact CB-O 3.48Å; K10-L21 PolarHBondContact N-O 3.09Å; K10-L21 PolarHBondContact O-N 3.44Å; K10-F23 HydrophobicContact CB-CD2 3.92Å; K10-F23 HydrophobicContact CB-CE2 3.96Å; K10-F23 HydrophobicContact CD-CE2 3.94Å |
| 11 | V | 72 | Confident | 65.2 | Low | 44 Ų | 44 | 119.5 Ų | 119.5 | 27% | 0.267 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.1 | 116.7 | 178.4 | -176.7 | 0 | 0 | 0 | 0 | 109 | P13 L18 L19 | V11-P13 WeakPolarHBondContact O-CD 3.37Å; V11-L18 HydrophobicContact CG1-CB 3.96Å; V11-L18 HydrophobicContact CG1-CD1 4Å; V11-L18 HydrophobicContact CG1-CD2 4.19Å; V11-L18 HydrophobicContact CG1-CG 4.27Å; V11-L19 WeakPolarHBondContact CA-O 3.34Å |
| 12 | I | 75.7 | Confident | 66.7 | Low | 53 Ų | 53 | 112.7 Ų | 112.7 | 27% | 0.272 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 111.1 | 171.4 | -58.2 | 175.1 | 0 | 0 | 0 | 108.1 | K14 L19 L21 | I12-K14 HydrophobicContact CG2-CD 4.48Å; I12-K14 PolarHBondContact O-N 3.43Å; I12-L19 HydrophobicContact CB-CB 4.2Å; I12-L19 PolarHBondContact N-O 3.27Å; I12-L19 PolarHBondContact O-N 3.04Å; I12-L21 HydrophobicContact CD1-CD1 3.84Å |
| 13 | P | 74.5 | Confident | 67.4 | Low | 68 Ų | 68 | 106.7 Ų | 106.7 | 44% | 0.442 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 122.2 | 170.9 | 24.9 | -29.1 | 0 | 0 | 0 | 110.4 | V11 L18 N151 | V11-P13 WeakPolarHBondContact O-CD 3.37Å; P13-L18 HydrophobicContact CB-CD2 3.89Å; P13-N151 VanDerWaalsContact CB-OD1 3.23Å; P13-N151 WeakPolarHBondContact CB-OD1 3.16Å |
| 14 | K | 77.9 | Confident | 68.2 | Low | 97 Ų | 97 | 98.3 Ų | 98.3 | 42% | 0.422 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 153.9 | 162.2 | -65.5 | -62.5 | -176.5 | -178.6 | 0 | 107.8 | I12 G16 Y17 L19 N151 | I12-K14 HydrophobicContact CG2-CD 4.48Å; I12-K14 PolarHBondContact O-N 3.43Å; K14-G16 VanDerWaalsContact O-CA 3.31Å; K14-G16 WeakPolarHBondContact O-CA 3.33Å; K14-G16 PolarHBondContact O-N 2.71Å; K14-Y17 CarbonylContact C-O 3.55Å; K14-Y17 WeakPolarHBondContact CA-O 3.49Å; K14-Y17 HydrophobicContact CB-CD2 4.4Å; K14-Y17 HydrophobicContact CB-CE1 4.46Å; K14-Y17 HydrophobicContact CB-CE2 4.14Å; K14-Y17 WeakPolarHBondContact CB-O 3.38Å; K14-Y17 HydrophobicContact CG-CE2 4.26Å; K14-Y17 PolarHBondContact N-O 2.99Å; K14-Y17 PolarHBondContact O-N 3.44Å; K14-Y17 VanDerWaalsContact O-N 3.17Å; K14-L19 HydrophobicContact CG-CD1 4.35Å; K14-N151 PolarHBondContact O-OD1 3.12Å |
| 15 | E | 71.7 | Confident | 68.2 | Low | 78 Ų | 78 | 97.1 Ų | 97.1 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 124.6 | 174.5 | -168.8 | 151.1 | -148.7 | 0 | 0 | 107.1 | Y17 R147 K148 | E15-Y17 PolarHBondContact O-N 2.92Å; E15-Y17 VanDerWaalsContact O-N 3.14Å; E15-R147 VanDerWaalsContact C-CG 3.46Å; E15-R147 VanDerWaalsContact C-CZ 3.5Å; E15-R147 VanDerWaalsContact CB-NH2 3.35Å; E15-R147 HydrophobicContact CG-CG 4.23Å; E15-R147 VanDerWaalsContact CG-CZ 3.46Å; E15-R147 VanDerWaalsContact CG-NH2 3.3Å; E15-R147 WeakPolarHBondContact O-CD 3.44Å; E15-R147 VanDerWaalsContact O-CZ 3.24Å; E15-R147 PolarHBondContact O-NE 3.31Å; E15-R147 PolarHBondContact O-NH1 3.23Å; E15-R147 IonicContact OE2-NH2 3.62Å; E15-K148 HydrophobicContact CG-CB 4.4Å |
| 16 | G | 71.1 | Confident | 67.2 | Low | 16 Ų | 16 | 100.2 Ų | 100.2 | 17% | 0.165 | 49% | 0.494 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -22 | 83.3 | -136.2 | 0 | 0 | 0 | 0 | 0 | 123.3 | K14 R147 | K14-G16 VanDerWaalsContact O-CA 3.31Å; K14-G16 WeakPolarHBondContact O-CA 3.33Å; K14-G16 PolarHBondContact O-N 2.71Å; G16-R147 VanDerWaalsContact CA-CA 3.44Å; G16-R147 WeakPolarHBondContact CA-O 3.35Å; G16-R147 VanDerWaalsContact N-CB 3.34Å; G16-R147 PolarHBondContact N-O 3.44Å; G16-R147 WeakPolarHBondContact O-CB 3.48Å |
| 17 | Y | 65.6 | Low | 67 | Low | 139 Ų | 139 | 98 Ų | 98 | 55% | 0.545 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | -155.1 | 157.3 | 127.5 | 49.2 | -84.7 | 0 | 0 | 0 | 107 | K14 E15 L19 | K14-Y17 CarbonylContact C-O 3.55Å; K14-Y17 WeakPolarHBondContact CA-O 3.49Å; K14-Y17 HydrophobicContact CB-CD2 4.4Å; K14-Y17 HydrophobicContact CB-CE1 4.46Å; K14-Y17 HydrophobicContact CB-CE2 4.14Å; K14-Y17 WeakPolarHBondContact CB-O 3.38Å; K14-Y17 HydrophobicContact CG-CE2 4.26Å; K14-Y17 PolarHBondContact N-O 2.99Å; K14-Y17 PolarHBondContact O-N 3.44Å; K14-Y17 VanDerWaalsContact O-N 3.17Å; E15-Y17 PolarHBondContact O-N 2.92Å; E15-Y17 VanDerWaalsContact O-N 3.14Å; Y17-L19 HydrophobicContact CD2-CG 4.28Å; Y17-L19 HydrophobicContact CE2-CD1 4.3Å; Y17-L19 HydrophobicContact CE2-CD2 4.48Å; Y17-L19 HydrophobicContact CE2-CG 4.04Å | |
| 18 | L | 80.1 | Confident | 65.8 | Low | 44 Ų | 44 | 96.2 Ų | 96.2 | 23% | 0.23 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 123 | 175.7 | -60.1 | -179 | 0 | 0 | 0 | 108.2 | V11 P13 L20 F154 | V11-L18 HydrophobicContact CG1-CB 3.96Å; V11-L18 HydrophobicContact CG1-CD1 4Å; V11-L18 HydrophobicContact CG1-CD2 4.19Å; V11-L18 HydrophobicContact CG1-CG 4.27Å; P13-L18 HydrophobicContact CB-CD2 3.89Å; L18-L20 HydrophobicContact CB-CD1 4.09Å; L18-F154 HydrophobicContact CD1-CB 4.19Å; L18-F154 HydrophobicContact CD1-CD1 4.02Å; L18-F154 HydrophobicContact CD1-CD2 3.99Å; L18-F154 HydrophobicContact CD1-CE1 4.39Å; L18-F154 HydrophobicContact CD1-CE2 4.37Å; L18-F154 HydrophobicContact CD1-CG 3.81Å |
| 19 | L | 64.3 | Low | 64.1 | Low | 80 Ų | 80 | 97.1 Ų | 97.1 | 42% | 0.419 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 116.7 | 169.8 | -81.4 | 166.2 | 0 | 0 | 0 | 108.7 | V11 I12 K14 Y17 | V11-L19 WeakPolarHBondContact CA-O 3.34Å; I12-L19 HydrophobicContact CB-CB 4.2Å; I12-L19 PolarHBondContact N-O 3.27Å; I12-L19 PolarHBondContact O-N 3.04Å; K14-L19 HydrophobicContact CG-CD1 4.35Å; Y17-L19 HydrophobicContact CD2-CG 4.28Å; Y17-L19 HydrophobicContact CE2-CD1 4.3Å; Y17-L19 HydrophobicContact CE2-CD2 4.48Å; Y17-L19 HydrophobicContact CE2-CG 4.04Å |
| 20 | L | 78 | Confident | 62.2 | Low | 100 Ų | 100 | 100 Ų | 100 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 119.6 | 172.5 | -79.4 | 66.1 | 0 | 0 | 0 | 108.1 | L9 L18 | L9-L20 HydrophobicContact CD2-CB 4.38Å; L9-L20 HydrophobicContact CD2-CD2 3.39Å; L9-L20 HydrophobicContact CD2-CG 3.81Å; L9-L20 HydrophobicContact CG-CD2 4.49Å; L18-L20 HydrophobicContact CB-CD1 4.09Å |
| 21 | L | 57.4 | Low | 60.4 | Low | 81 Ų | 81 | 102.8 Ų | 102.8 | 42% | 0.424 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 113.6 | 171.2 | -69.6 | 167.6 | 0 | 0 | 0 | 108 | K10 I12 F23 | K10-L21 HydrophobicContact CB-CB 4.35Å; K10-L21 WeakPolarHBondContact CB-O 3.48Å; K10-L21 PolarHBondContact N-O 3.09Å; K10-L21 PolarHBondContact O-N 3.44Å; I12-L21 HydrophobicContact CD1-CD1 3.84Å; L21-F23 HydrophobicContact CB-CD2 4.3Å; L21-F23 HydrophobicContact CB-CE2 3.78Å |
| 22 | D | 73.1 | Confident | 58.5 | Low | 99 Ų | 99 | 105.9 Ų | 105.9 | 53% | 0.529 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 134.4 | 175.9 | -68.7 | -2.5 | 0 | 0 | 0 | 109.2 | L9 | L9-D22 WeakPolarHBondContact CD1-OD1 3.46Å; L9-D22 WeakPolarHBondContact CG-OD1 3.17Å |
| 23 | F | 57.7 | Low | 56.3 | Low | 132 Ų | 132 | 107.4 Ų | 107.4 | 58% | 0.579 | 55% | 0.553 | S | S | * | * | trans | -122.7 | 21.4 | -176.6 | -84.2 | -79.9 | 0 | 0 | 0 | 114.2 | K8 K10 L21 | K8-F23 PolarHBondContact O-N 3Å; K10-F23 HydrophobicContact CB-CD2 3.92Å; K10-F23 HydrophobicContact CB-CE2 3.96Å; K10-F23 HydrophobicContact CD-CE2 3.94Å; L21-F23 HydrophobicContact CB-CD2 4.3Å; L21-F23 HydrophobicContact CB-CE2 3.78Å | ||
| 24 | D | 61.1 | Low | 54.2 | Low | 76 Ų | 76 | 112.1 Ų | 112.1 | 41% | 0.406 | 57% | 0.569 | S | S | . | * | trans | -131.5 | 39.2 | 174.9 | -81.5 | -28.7 | 0 | 0 | 0 | 112.1 | K8 E26 | K8-D24 WeakPolarHBondContact CB-OD2 3.47Å; K8-D24 WeakPolarHBondContact CG-OD2 3.5Å; K8-D24 VanDerWaalsContact NZ-CG 3.26Å; K8-D24 IonicContact NZ-OD1 2.82Å; K8-D24 PolarHBondContact NZ-OD1 2.9Å; K8-D24 IonicContact NZ-OD2 2.83Å; K8-D24 PolarHBondContact NZ-OD2 3.37Å; D24-E26 VanDerWaalsContact C-N 3.32Å | ||
| 25 | D | 49.6 | Very low | 51.8 | Low | 159 Ų | 159 | 114.7 Ų | 114.7 | 85% | 0.85 | 58% | 0.582 | S | S | * | * | trans | -92.4 | 77 | 146.3 | -90.4 | -14.1 | 0 | 0 | 0 | 106.5 | ||||
| 26 | E | 44.6 | Very low | 50 | Low | 161 Ų | 161 | 114.1 Ų | 114.1 | 75% | 0.752 | 59% | 0.591 | S | S | * | * | trans | -88 | 131.3 | 145.9 | -74.4 | -93.5 | 159.1 | 0 | 0 | 105.1 | D24 | D24-E26 VanDerWaalsContact C-N 3.32Š| ||
| 27 | D | 46.8 | Very low | 48.1 | Very low | 127 Ų | 127 | 120.8 Ų | 120.8 | 68% | 0.679 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 80 | 91.5 | 178.5 | -54.6 | -24.5 | 0 | 0 | 0 | 117.7 | ||
| 28 | D | 40.5 | Very low | 46.7 | Very low | 130 Ų | 130 | 118.7 Ų | 118.7 | 70% | 0.695 | 63% | 0.628 | S | S | * | * | 100.4 | 104.6 | 122.1 | -60.6 | -23.6 | 0 | 0 | 0 | 118.3 | |||||
| 29 | D | 35.9 | Very low | 44.6 | Very low | 147 Ų | 147 | 125.5 Ų | 125.5 | 79% | 0.786 | 66% | 0.658 | S | S | * | * | trans | 59.7 | 111.8 | 144.1 | -58.4 | -27.2 | 0 | 0 | 0 | 114.3 | ||||
| 30 | I | 32.7 | Very low | 43.4 | Very low | 145 Ų | 145 | 127.4 Ų | 127.4 | 74% | 0.744 | 67% | 0.673 | S | S | * | * | -160.8 | 114 | 57.2 | -76.1 | 176.9 | 0 | 0 | 0 | 106.2 | V32 | I30-V32 HydrophobicContact CG2-CG2 4.03Å; I30-V32 PolarHBondContact O-N 3.45Å; I30-V32 VanDerWaalsContact O-N 3.12Å | |||
| 31 | K | 38.6 | Very low | 41.7 | Very low | 183 Ų | 183 | 131.3 Ų | 131.3 | 80% | 0.796 | 69% | 0.686 | S | S | * | * | trans | -14.9 | 107 | 139 | -170.6 | -170.1 | -165.7 | -169.8 | 0 | 112.6 | ||||
| 32 | V | 31.7 | Very low | 40.7 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 66% | 0.661 | 70% | 0.701 | S | S | * | * | trans | -135.3 | 77.7 | 146.4 | -166.3 | 0 | 0 | 0 | 0 | 107.9 | I30 E34 | I30-V32 HydrophobicContact CG2-CG2 4.03Å; I30-V32 PolarHBondContact O-N 3.45Å; I30-V32 VanDerWaalsContact O-N 3.12Å; V32-E34 HydrophobicContact CG1-CB 3.85Å; V32-E34 PolarHBondContact O-N 3.13Å | ||
| 33 | S | 29.6 | Very low | 38.6 | Very low | 85 Ų | 85 | 133.9 Ų | 133.9 | 59% | 0.594 | 72% | 0.715 | S | S | * | * | trans | -44.5 | 97.5 | 133.6 | 49 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 34 | E | 29.4 | Very low | 37.3 | Very low | 166 Ų | 166 | 132.1 Ų | 132.1 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | -127.3 | 68.4 | 147.7 | -161.4 | 174.4 | -161.7 | 0 | 0 | 103.5 | V32 A36 | V32-E34 HydrophobicContact CG1-CB 3.85Å; V32-E34 PolarHBondContact O-N 3.13Å; E34-A36 VanDerWaalsContact C-N 3.32Å | ||
| 35 | E | 29.4 | Very low | 35.7 | Very low | 152 Ų | 152 | 138 Ų | 138 | 71% | 0.71 | 75% | 0.747 | S | S | * | * | -0.6 | 94.8 | 89.1 | -86.2 | -159.5 | 155 | 0 | 0 | 110.9 | |||||
| 36 | A | 31.9 | Very low | 35 | Very low | 66 Ų | 66 | 136.7 Ų | 136.7 | 55% | 0.545 | 74% | 0.74 | S | S | . | * | 7.5 | 93.3 | 69.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | E34 | E34-A36 VanDerWaalsContact C-N 3.32Š| |||
| 37 | L | 31.4 | Very low | 34.6 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | S | Bend | 43.4 | 114 | 92.2 | -63.7 | 167.8 | 0 | 0 | 0 | 110.8 | |||
| 38 | S | 37.9 | Very low | 33.9 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | trans | 67.2 | 106.3 | 165.6 | 59.1 | 0 | 0 | 0 | 0 | 115.9 | V40 | S38-V40 VanDerWaalsContact C-N 3.25Å; S38-V40 PolarHBondContact O-N 2.96Å | ||
| 39 | E | 35.5 | Very low | 33.5 | Very low | 187 Ų | 187 | 141.7 Ų | 141.7 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -35.2 | 100.2 | 131.1 | -174.4 | 172.5 | -152.1 | 0 | 0 | 107.8 | ||
| 40 | V | 37.9 | Very low | 33.3 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | 163 | 103.1 | 157.4 | 162.5 | 0 | 0 | 0 | 0 | 109.5 | S38 | S38-V40 VanDerWaalsContact C-N 3.25Å; S38-V40 PolarHBondContact O-N 2.96Å | ||
| 41 | K | 42.8 | Very low | 33.5 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | 59.9 | 98.9 | 131.5 | -161.8 | 160.6 | -178.9 | 176.1 | 0 | 119.8 | ||||
| 42 | S | 36 | Very low | 33.1 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | 71.6 | 154.1 | 132.1 | 68.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 43 | P | 29.6 | Very low | 33.3 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | -110.8 | 156.2 | -143.8 | 39.6 | -30.8 | 0 | 0 | 0 | 115.5 | ||||
| 44 | A | 31.5 | Very low | 33.3 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -144.6 | 112 | 152.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 45 | F | 27.6 | Very low | 33.3 | Very low | 199 Ų | 199 | 138.7 Ų | 138.7 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | trans | -138.9 | 142.1 | 163 | -122.1 | -83.5 | 0 | 0 | 0 | 110.3 | ||||
| 46 | D | 34.6 | Very low | 33.6 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -87 | 171.9 | -157 | -66.7 | -57.5 | 0 | 0 | 0 | 116.2 | ||||
| 47 | K | 35.5 | Very low | 33.7 | Very low | 193 Ų | 193 | 139.9 Ų | 139.9 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | 111.6 | 80.3 | 141.7 | -53.2 | -171.9 | -174 | 175.1 | 0 | 117.1 | ||||
| 48 | N | 31.1 | Very low | 34 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | -106.1 | 111.9 | 126.3 | 58.6 | 0.5 | 0 | 0 | 0 | 106.8 | |||||
| 49 | E | 33.2 | Very low | 34.3 | Very low | 182 Ų | 182 | 143.4 Ų | 143.4 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | 64.6 | 83.9 | 93.4 | -152.6 | 168.8 | -152.5 | 0 | 0 | 112.3 | |||||
| 50 | N | 31.6 | Very low | 34.4 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | 60.8 | 72.5 | 132.2 | -142.5 | 13.7 | 0 | 0 | 0 | 117.2 | ||||
| 51 | I | 37.8 | Very low | 34.8 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | trans | -135.5 | 101.4 | 131.9 | -46.1 | 175.8 | 0 | 0 | 0 | 105.5 | P53 | I51-P53 VanDerWaalsContact C-CD 3.4Å; I51-P53 WeakPolarHBondContact O-CD 3.43Å | ||
| 52 | S | 30 | Very low | 34.7 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | trans | -73.3 | 101.7 | 150 | -67.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 53 | P | 35.8 | Very low | 35 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | trans | -72.4 | 122.8 | 141.1 | 30.5 | -25 | 0 | 0 | 0 | 105.7 | I51 | I51-P53 VanDerWaalsContact C-CD 3.4Å; I51-P53 WeakPolarHBondContact O-CD 3.43Å | ||
| 54 | Q | 29.4 | Very low | 35.6 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | trans | -39.2 | 143.7 | -178.8 | -69.8 | 161.2 | -102.4 | 0 | 0 | 113.6 | E56 | Q54-E56 PolarHBondContact O-N 3.35Å; Q54-E56 VanDerWaalsContact O-N 3.07Å | ||
| 55 | A | 30 | Very low | 36.4 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | trans | -51 | 109 | 154.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A57 | A55-A57 HydrophobicContact CB-CB 4.46Š| ||
| 56 | E | 34.5 | Very low | 37.1 | Very low | 174 Ų | 174 | 128.9 Ų | 128.9 | 81% | 0.813 | 70% | 0.698 | S | S | * | * | trans | -115.3 | 87 | 140.7 | -63.8 | -178.5 | -175.4 | 0 | 0 | 101.7 | Q54 | Q54-E56 PolarHBondContact O-N 3.35Å; Q54-E56 VanDerWaalsContact O-N 3.07Å | ||
| 57 | A | 34.9 | Very low | 37.7 | Very low | 70 Ų | 70 | 126 Ų | 126 | 58% | 0.579 | 69% | 0.688 | S | S | * | * | 36.7 | 90.8 | 61.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | A55 | A55-A57 HydrophobicContact CB-CB 4.46Š| |||
| 58 | D | 37.2 | Very low | 38 | Very low | 150 Ų | 150 | 124.5 Ų | 124.5 | 80% | 0.802 | 69% | 0.686 | S | S | * | * | trans | 76.8 | 87.4 | 157.1 | -45.7 | -27.4 | 0 | 0 | 0 | 117.1 | ||||
| 59 | E | 43.7 | Very low | 38.7 | Very low | 175 Ų | 175 | 123.6 Ų | 123.6 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | -121.2 | 86.8 | 128.4 | -71.9 | -163 | -174.9 | 0 | 0 | 107.8 | M61 | E59-M61 HydrophobicContact CB-SD 4.5Å; E59-M61 PolarHBondContact O-N 2.95Å | |||
| 60 | D | 38.2 | Very low | 39 | Very low | 122 Ų | 122 | 119.9 Ų | 119.9 | 65% | 0.652 | 67% | 0.666 | S | S | * | * | trans | -32 | 84.9 | 143.1 | -178.2 | 19.4 | 0 | 0 | 0 | 111.8 | G62 | D60-G62 PolarHBondContact O-N 2.76Å; D60-G62 WeakPolarHBondContact OD1-CA 3.49Å; D60-G62 PolarHBondContact OD1-N 2.91Å; D60-G62 VanDerWaalsContact OD1-N 3.13Å | ||
| 61 | M | 45.7 | Very low | 39.8 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 54% | 0.537 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.1 | 19.9 | 166.3 | -61.1 | -61.4 | -78.4 | 0 | 0 | 110.9 | E59 D63 E64 | E59-M61 HydrophobicContact CB-SD 4.5Å; E59-M61 PolarHBondContact O-N 2.95Å; M61-D63 PolarHBondContact O-N 3.37Å; M61-E64 HydrophobicContact CE-CB 4.49Å; M61-E64 WeakPolarHBondContact CE-OE2 3.39Å |
| 62 | G | 41.7 | Very low | 40.1 | Very low | 37 Ų | 37 | 122.4 Ų | 122.4 | 38% | 0.381 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -57.1 | -22.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D60 V65 | D60-G62 PolarHBondContact O-N 2.76Å; D60-G62 WeakPolarHBondContact OD1-CA 3.49Å; D60-G62 PolarHBondContact OD1-N 2.91Å; D60-G62 VanDerWaalsContact OD1-N 3.13Å; G62-V65 WeakPolarHBondContact O-CG2 3.32Å |
| 63 | D | 42.4 | Very low | 40.3 | Very low | 120 Ų | 120 | 124.9 Ų | 124.9 | 64% | 0.642 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -92.3 | -12.6 | -175 | -78.6 | -5.4 | 0 | 0 | 0 | 115.7 | M61 S67 | M61-D63 PolarHBondContact O-N 3.37Å; D63-S67 PolarHBondContact O-N 3.21Å |
| 64 | E | 42 | Very low | 40.5 | Very low | 140 Ų | 140 | 125.1 Ų | 125.1 | 65% | 0.654 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -87 | -23.2 | 176.1 | -162.7 | 168.3 | -163.8 | 0 | 0 | 112.9 | M61 | M61-E64 HydrophobicContact CE-CB 4.49Å; M61-E64 WeakPolarHBondContact CE-OE2 3.39Å |
| 65 | V | 46.9 | Very low | 40.7 | Very low | 89 Ų | 89 | 123.6 Ų | 123.6 | 54% | 0.539 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -78.6 | -26.8 | 174.4 | -82.3 | 0 | 0 | 0 | 0 | 112.6 | G62 | G62-V65 WeakPolarHBondContact O-CG2 3.32Å |
| 66 | D | 42.3 | Very low | 40.8 | Very low | 93 Ų | 93 | 126.9 Ų | 126.9 | 50% | 0.497 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -81.7 | -39.7 | 177.7 | -136 | 26 | 0 | 0 | 0 | 111.8 | M68 L69 D70 | D66-M68 VanDerWaalsContact C-N 3.28Å; D66-M68 PolarHBondContact O-N 2.93Å; D66-M68 VanDerWaalsContact O-N 3.11Å; D66-L69 PolarHBondContact O-N 2.99Å; D66-L69 VanDerWaalsContact O-N 3.16Å; D66-D70 WeakPolarHBondContact O-CB 3.15Å; D66-D70 PolarHBondContact O-N 2.95Å |
| 67 | S | 47.8 | Very low | 40.9 | Very low | 72 Ų | 72 | 123.8 Ų | 123.8 | 50% | 0.503 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -64.7 | -23.7 | -174 | -163.8 | 0 | 0 | 0 | 0 | 115.3 | D63 | D63-S67 PolarHBondContact O-N 3.21Å |
| 68 | M | 42.3 | Very low | 40.8 | Very low | 161 Ų | 161 | 125.2 Ų | 125.2 | 79% | 0.793 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -98.3 | -20.4 | 176.3 | -118.4 | -176 | -176.7 | 0 | 0 | 114.1 | D66 | D66-M68 VanDerWaalsContact C-N 3.28Å; D66-M68 PolarHBondContact O-N 2.93Å; D66-M68 VanDerWaalsContact O-N 3.11Å |
| 69 | L | 44.6 | Very low | 40.7 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 68% | 0.675 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -77.8 | -31 | 168.8 | -83 | 167.8 | 0 | 0 | 0 | 111.4 | D66 K71 Y72 | D66-L69 PolarHBondContact O-N 2.99Å; D66-L69 VanDerWaalsContact O-N 3.16Å; L69-K71 PolarHBondContact O-N 3.46Å; L69-Y72 PolarHBondContact O-N 3.35Å; L69-Y72 VanDerWaalsContact O-N 3.12Å |
| 70 | D | 41.3 | Very low | 40 | Very low | 104 Ų | 104 | 119.9 Ų | 119.9 | 56% | 0.556 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -16.2 | 176.5 | -95.3 | -7.1 | 0 | 0 | 0 | 114.5 | D66 | D66-D70 WeakPolarHBondContact O-CB 3.15Å; D66-D70 PolarHBondContact O-N 2.95Å |
| 71 | K | 46.6 | Very low | 39.9 | Very low | 150 Ų | 150 | 123.6 Ų | 123.6 | 65% | 0.652 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -8.1 | 179.2 | -63.6 | -167.1 | -176.4 | -175.7 | 0 | 114.4 | L69 | L69-K71 PolarHBondContact O-N 3.46Š|
| 72 | Y | 44.8 | Very low | 39.4 | Very low | 199 Ų | 199 | 125.3 Ų | 125.3 | 78% | 0.78 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -132.2 | 19.2 | -179.7 | -58.4 | -75.6 | 0 | 0 | 0 | 114.6 | L69 V74 | L69-Y72 PolarHBondContact O-N 3.35Å; L69-Y72 VanDerWaalsContact O-N 3.12Å; Y72-V74 PolarHBondContact O-N 2.8Å |
| 73 | E | 33.9 | Very low | 39.3 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | trans | -75.1 | 58.4 | 154.4 | -142 | 175.2 | -146.7 | 0 | 0 | 109.4 | N75 | E73-N75 PolarHBondContact O-N 3.49Š| ||
| 74 | V | 40.3 | Very low | 39.2 | Very low | 117 Ų | 117 | 133 Ų | 133 | 71% | 0.709 | 71% | 0.707 | S | S | * | * | trans | -73.1 | 90.8 | 164.8 | 174.6 | 0 | 0 | 0 | 0 | 106.2 | Y72 N76 | Y72-V74 PolarHBondContact O-N 2.8Å; V74-N76 PolarHBondContact O-N 3.27Å; V74-N76 VanDerWaalsContact O-N 3.12Å | ||
| 75 | N | 33.9 | Very low | 39 | Very low | 137 Ų | 137 | 134 Ų | 134 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | trans | 0.7 | 98.8 | 141.7 | -64.6 | -59.6 | 0 | 0 | 0 | 112.9 | E73 P77 | E73-N75 PolarHBondContact O-N 3.49Å; N75-P77 WeakPolarHBondContact O-CD 3.32Å | ||
| 76 | N | 33 | Very low | 38.5 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 85% | 0.85 | 72% | 0.721 | S | S | * | * | trans | -67 | 112.9 | 152.6 | -89.7 | -37.9 | 0 | 0 | 0 | 106.6 | V74 A78 | V74-N76 PolarHBondContact O-N 3.27Å; V74-N76 VanDerWaalsContact O-N 3.12Å; N76-A78 PolarHBondContact O-N 2.87Å | ||
| 77 | P | 35.7 | Very low | 38.3 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 71% | 0.708 | 73% | 0.733 | S | S | * | * | trans | -66.3 | 103.1 | 168.8 | 26.9 | -30.9 | 0 | 0 | 0 | 108.2 | N75 I79 | N75-P77 WeakPolarHBondContact O-CD 3.32Å; P77-I79 PolarHBondContact O-N 2.97Å | ||
| 78 | A | 32.7 | Very low | 37.9 | Very low | 100 Ų | 100 | 140 Ų | 140 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | trans | -68.5 | 82.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | N76 | N76-A78 PolarHBondContact O-N 2.87Š| ||
| 79 | I | 34.3 | Very low | 38 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | -131.4 | 102.8 | 156.9 | -71.4 | 174.4 | 0 | 0 | 0 | 103.7 | P77 | P77-I79 PolarHBondContact O-N 2.97Š| ||
| 80 | G | 30.7 | Very low | 38.1 | Very low | 61 Ų | 61 | 142.9 Ų | 142.9 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | cis | 85.5 | 66.4 | 24.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 81 | K | 35.9 | Very low | 38.4 | Very low | 199 Ų | 199 | 140.8 Ų | 140.8 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | trans | 62.9 | 140.3 | 149.6 | -49.7 | -178 | -178.5 | -179.1 | 0 | 115.2 | ||||
| 82 | D | 33.7 | Very low | 39.1 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | cis | -170.4 | 177.8 | 13 | -147.6 | -31.1 | 0 | 0 | 0 | 105.5 | ||||
| 83 | E | 40.1 | Very low | 39.9 | Very low | 174 Ų | 174 | 140 Ų | 140 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | 92.3 | 65.9 | 168.8 | -55.1 | -168.1 | -179 | 0 | 0 | 118 | ||||
| 84 | N | 39.7 | Very low | 41.7 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | 52.3 | 92.4 | 102.3 | -153.4 | -1.7 | 0 | 0 | 0 | 117.8 | |||||
| 85 | I | 37.9 | Very low | 43.4 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | trans | -137.5 | 110 | 137.9 | -56.8 | -178.2 | 0 | 0 | 0 | 108.3 | ||||
| 86 | S | 36.4 | Very low | 45.7 | Very low | 94 Ų | 94 | 135.6 Ų | 135.6 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | trans | -78.7 | 140.6 | 161.3 | -178.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 87 | P | 39.4 | Very low | 48.2 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | -144.6 | 127.1 | 117.4 | 32.7 | -15.2 | 0 | 0 | 0 | 115.2 | |||||
| 88 | Q | 38.2 | Very low | 50.6 | Low | 173 Ų | 173 | 134.3 Ų | 134.3 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | trans | 27.8 | 114.4 | 135.3 | -58.3 | -168.7 | 10.1 | 0 | 0 | 122.8 | ||||
| 89 | V | 46.1 | Very low | 53.2 | Low | 137 Ų | 137 | 133.4 Ų | 133.4 | 83% | 0.83 | 73% | 0.725 | S | S | * | * | 50.1 | 98.3 | 125.6 | -168.2 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 90 | K | 45.1 | Very low | 55.8 | Low | 212 Ų | 212 | 127.6 Ų | 127.6 | 92% | 0.922 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -163.8 | 105.4 | 137.1 | -110.9 | 171.4 | -178 | 177.5 | 0 | 110.5 | ||
| 91 | G | 47.3 | Very low | 58.6 | Low | 61 Ų | 61 | 126.4 Ų | 126.4 | 63% | 0.629 | 69% | 0.685 | S | S | * | * | trans | 85.9 | 90.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117 | E93 | G91-E93 PolarHBondContact O-N 2.76Š| ||
| 92 | D | 61.2 | Low | 61.1 | Low | 151 Ų | 151 | 121.5 Ų | 121.5 | 81% | 0.807 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 24.1 | -179.1 | -66.2 | -42 | 0 | 0 | 0 | 115.8 | ||
| 93 | E | 61.8 | Low | 63.9 | Low | 182 Ų | 182 | 120 Ų | 120 | 85% | 0.85 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -82.6 | -20 | 177.1 | -65.9 | -178.3 | -175.8 | 0 | 0 | 112.3 | G91 | G91-E93 PolarHBondContact O-N 2.76Å |
| 94 | D | 73.4 | Confident | 66.3 | Low | 125 Ų | 125 | 117.3 Ų | 117.3 | 67% | 0.668 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -83.1 | -41 | -173.5 | -162.7 | 30.6 | 0 | 0 | 0 | 113.5 | G96 H97 E98 | D94-G96 PolarHBondContact O-N 3.34Å; D94-H97 WeakPolarHBondContact O-CB 3.49Å; D94-H97 PolarHBondContact O-N 3.43Å; D94-E98 PolarHBondContact O-N 3.46Å; D94-E98 VanDerWaalsContact O-N 3.09Å |
| 95 | M | 75.9 | Confident | 68.9 | Low | 138 Ų | 138 | 116.3 Ų | 116.3 | 68% | 0.68 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.5 | -36.2 | 179.2 | -77.6 | -167.1 | -169.5 | 0 | 0 | 113.1 | H97 E98 V99 | M95-H97 VanDerWaalsContact C-N 3.27Å; M95-H97 PolarHBondContact O-N 2.88Å; M95-E98 PolarHBondContact O-N 3.29Å; M95-V99 WeakPolarHBondContact O-CG2 3.46Å; M95-V99 PolarHBondContact O-N 2.92Å |
| 96 | G | 82 | Confident | 71.4 | Confident | 54 Ų | 54 | 111.6 Ų | 111.6 | 56% | 0.557 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.6 | -36.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | D94 G100 | D94-G96 PolarHBondContact O-N 3.34Å; G96-G100 PolarHBondContact O-N 2.93Å |
| 97 | H | 84.2 | Confident | 74.1 | Confident | 142 Ų | 142 | 109 Ų | 109 | 66% | 0.657 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.5 | -41.3 | 173.9 | -179 | -96 | 0 | 0 | 0 | 111.7 | D94 M95 S101 | D94-H97 WeakPolarHBondContact O-CB 3.49Å; D94-H97 PolarHBondContact O-N 3.43Å; M95-H97 VanDerWaalsContact C-N 3.27Å; M95-H97 PolarHBondContact O-N 2.88Å; H97-S101 WeakPolarHBondContact O-CB 3.3Å; H97-S101 PolarHBondContact O-N 3.46Å |
| 98 | E | 87.1 | Confident | 76.7 | Confident | 99 Ų | 99 | 107.9 Ų | 107.9 | 46% | 0.463 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.9 | -53.3 | 177.1 | -175.4 | 176.7 | -169.6 | 0 | 0 | 112.5 | D94 M95 G100 S101 M102 | D94-E98 PolarHBondContact O-N 3.46Å; D94-E98 VanDerWaalsContact O-N 3.09Å; M95-E98 PolarHBondContact O-N 3.29Å; E98-G100 VanDerWaalsContact C-N 3.34Å; E98-G100 PolarHBondContact O-N 3.47Å; E98-S101 WeakPolarHBondContact O-CB 3.13Å; E98-S101 PolarHBondContact O-N 3.32Å; E98-S101 VanDerWaalsContact O-N 3.12Å; E98-S101 PolarHBondContact O-OG 2.91Å; E98-M102 HydrophobicContact CG-CE 3.7Å; E98-M102 HydrophobicContact CG-SD 4.45Å; E98-M102 WeakPolarHBondContact O-CG 3.48Å; E98-M102 PolarHBondContact O-N 3.15Å; E98-M102 WeakPolarHBondContact OE1-CE 3.4Å |
| 99 | V | 87.8 | Confident | 79.4 | Confident | 82 Ų | 82 | 103.6 Ų | 103.6 | 50% | 0.497 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63 | -41.9 | -179.8 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | M95 S101 M102 L103 | M95-V99 WeakPolarHBondContact O-CG2 3.46Å; M95-V99 PolarHBondContact O-N 2.92Å; V99-S101 VanDerWaalsContact C-N 3.32Å; V99-S101 PolarHBondContact O-N 2.87Å; V99-M102 PolarHBondContact O-N 3.37Å; V99-L103 HydrophobicContact CG1-CD1 4.05Å; V99-L103 HydrophobicContact CG1-CG 4.34Å; V99-L103 WeakPolarHBondContact O-CG 3.25Å; V99-L103 PolarHBondContact O-N 3.02Å |
| 100 | G | 87.9 | Confident | 81.7 | Confident | 30 Ų | 30 | 102.2 Ų | 102.2 | 31% | 0.309 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -55.9 | -47.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G96 E98 M102 L103 D104 | G96-G100 PolarHBondContact O-N 2.93Å; E98-G100 VanDerWaalsContact C-N 3.34Å; E98-G100 PolarHBondContact O-N 3.47Å; G100-M102 VanDerWaalsContact C-N 3.33Å; G100-M102 PolarHBondContact O-N 2.9Å; G100-L103 PolarHBondContact O-N 3.48Å; G100-D104 WeakPolarHBondContact O-CB 3.38Å; G100-D104 PolarHBondContact O-N 2.97Å |
| 101 | S | 89 | Confident | 84.1 | Confident | 37 Ų | 37 | 99.6 Ų | 99.6 | 26% | 0.259 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.7 | -34.6 | 177.8 | 84.4 | 0 | 0 | 0 | 0 | 113.5 | H97 E98 V99 K105 | H97-S101 WeakPolarHBondContact O-CB 3.3Å; H97-S101 PolarHBondContact O-N 3.46Å; E98-S101 WeakPolarHBondContact O-CB 3.13Å; E98-S101 PolarHBondContact O-N 3.32Å; E98-S101 VanDerWaalsContact O-N 3.12Å; E98-S101 PolarHBondContact O-OG 2.91Å; V99-S101 VanDerWaalsContact C-N 3.32Å; V99-S101 PolarHBondContact O-N 2.87Å; S101-K105 WeakPolarHBondContact O-CB 3.2Å; S101-K105 WeakPolarHBondContact O-CD 3.4Å; S101-K105 WeakPolarHBondContact O-CG 3.42Å; S101-K105 PolarHBondContact O-N 2.92Å; S101-K105 VanDerWaalsContact O-N 3.13Å |
| 102 | M | 89.4 | Confident | 86.4 | Confident | 95 Ų | 95 | 101.7 Ų | 101.7 | 47% | 0.468 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -72.4 | -40.4 | 178.1 | -71.5 | -177.4 | -179.8 | 0 | 0 | 112 | E98 V99 G100 S106 | E98-M102 HydrophobicContact CG-CE 3.7Å; E98-M102 HydrophobicContact CG-SD 4.45Å; E98-M102 WeakPolarHBondContact O-CG 3.48Å; E98-M102 PolarHBondContact O-N 3.15Å; E98-M102 WeakPolarHBondContact OE1-CE 3.4Å; V99-M102 PolarHBondContact O-N 3.37Å; G100-M102 VanDerWaalsContact C-N 3.33Å; G100-M102 PolarHBondContact O-N 2.9Å; M102-S106 WeakPolarHBondContact O-CB 3.32Å; M102-S106 PolarHBondContact O-N 3.35Å; M102-S106 PolarHBondContact O-OG 2.91Å |
| 103 | L | 92 | Very high | 88.1 | Confident | 114 Ų | 114 | 98.9 Ų | 98.9 | 60% | 0.597 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.5 | -42 | 176.3 | -70.5 | 175.9 | 0 | 0 | 0 | 111.5 | V99 G100 S106 G107 | V99-L103 HydrophobicContact CG1-CD1 4.05Å; V99-L103 HydrophobicContact CG1-CG 4.34Å; V99-L103 WeakPolarHBondContact O-CG 3.25Å; V99-L103 PolarHBondContact O-N 3.02Å; G100-L103 PolarHBondContact O-N 3.48Å; L103-S106 PolarHBondContact O-N 2.93Å; L103-G107 PolarHBondContact O-N 3.03Å |
| 104 | D | 91.3 | Very high | 89.8 | Confident | 117 Ų | 117 | 95 Ų | 95 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.8 | -47.4 | 175 | -77.9 | -10.4 | 0 | 0 | 0 | 110.8 | G100 S106 G107 D108 | G100-D104 WeakPolarHBondContact O-CB 3.38Å; G100-D104 PolarHBondContact O-N 2.97Å; D104-S106 PolarHBondContact O-N 2.91Å; D104-G107 PolarHBondContact O-N 2.9Å; D104-D108 WeakPolarHBondContact O-CB 3.4Å; D104-D108 PolarHBondContact O-N 3.12Å |
| 105 | K | 93 | Very high | 90.9 | Very high | 124 Ų | 124 | 92.6 Ų | 92.6 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.7 | -46.6 | 174.3 | -72.6 | 166.4 | -172.6 | 168 | 0 | 112.4 | S101 D108 D109 | S101-K105 WeakPolarHBondContact O-CB 3.2Å; S101-K105 WeakPolarHBondContact O-CD 3.4Å; S101-K105 WeakPolarHBondContact O-CG 3.42Å; S101-K105 PolarHBondContact O-N 2.92Å; S101-K105 VanDerWaalsContact O-N 3.13Å; K105-D108 WeakPolarHBondContact O-CB 3.34Å; K105-D108 PolarHBondContact O-N 3.11Å; K105-D109 WeakPolarHBondContact O-CB 3.45Å; K105-D109 VanDerWaalsContact O-CG 3.22Å; K105-D109 PolarHBondContact O-N 2.94Å |
| 106 | S | 91.5 | Very high | 91.9 | Very high | 63 Ų | 63 | 91.6 Ų | 91.6 | 44% | 0.441 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | -179.5 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | M102 L103 D104 D109 I110 | M102-S106 WeakPolarHBondContact O-CB 3.32Å; M102-S106 PolarHBondContact O-N 3.35Å; M102-S106 PolarHBondContact O-OG 2.91Å; L103-S106 PolarHBondContact O-N 2.93Å; D104-S106 PolarHBondContact O-N 2.91Å; S106-D109 PolarHBondContact O-N 3.44Å; S106-I110 VanDerWaalsContact O-CG1 3.3Å; S106-I110 WeakPolarHBondContact O-CG1 3.35Å; S106-I110 PolarHBondContact O-N 3.07Å |
| 107 | G | 92.5 | Very high | 92.6 | Very high | 38 Ų | 38 | 95.1 Ų | 95.1 | 39% | 0.392 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L103 D104 D109 Y111 | L103-G107 PolarHBondContact O-N 3.03Å; D104-G107 PolarHBondContact O-N 2.9Å; G107-D109 VanDerWaalsContact C-N 3.33Å; G107-D109 PolarHBondContact O-N 2.88Å; G107-Y111 VanDerWaalsContact O-CB 3.32Å; G107-Y111 WeakPolarHBondContact O-CB 3.34Å; G107-Y111 PolarHBondContact O-N 3.12Å |
| 108 | D | 93.6 | Very high | 93.3 | Very high | 91 Ų | 91 | 95.4 Ų | 95.4 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 174.3 | -82.5 | -10.7 | 0 | 0 | 0 | 111.8 | D104 K105 Y111 K112 | D104-D108 WeakPolarHBondContact O-CB 3.4Å; D104-D108 PolarHBondContact O-N 3.12Å; K105-D108 WeakPolarHBondContact O-CB 3.34Å; K105-D108 PolarHBondContact O-N 3.11Å; D108-Y111 PolarHBondContact O-N 3.49Å; D108-K112 WeakPolarHBondContact O-CB 3.42Å; D108-K112 WeakPolarHBondContact O-CD 3.35Å; D108-K112 WeakPolarHBondContact O-CG 3.43Å; D108-K112 PolarHBondContact O-N 3.42Å |
| 109 | D | 94.7 | Very high | 93.8 | Very high | 84 Ų | 84 | 95.3 Ų | 95.3 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -73 | -38.7 | -176.9 | -69.4 | -16.1 | 0 | 0 | 0 | 112.7 | K105 S106 G107 K112 T113 | K105-D109 WeakPolarHBondContact O-CB 3.45Å; K105-D109 VanDerWaalsContact O-CG 3.22Å; K105-D109 PolarHBondContact O-N 2.94Å; S106-D109 PolarHBondContact O-N 3.44Å; G107-D109 VanDerWaalsContact C-N 3.33Å; G107-D109 PolarHBondContact O-N 2.88Å; D109-K112 PolarHBondContact O-N 3.37Å; D109-K112 IonicContact OD1-NZ 2.99Å; D109-K112 PolarHBondContact OD1-NZ 3.18Å; D109-T113 WeakPolarHBondContact O-CB 3.4Å; D109-T113 PolarHBondContact O-N 2.91Å; D109-T113 PolarHBondContact O-OG1 2.74Å |
| 110 | I | 94.8 | Very high | 94.2 | Very high | 107 Ų | 107 | 98.6 Ų | 98.6 | 55% | 0.549 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 171.2 | -67.3 | 166 | 0 | 0 | 0 | 109.9 | S106 T113 L114 | S106-I110 VanDerWaalsContact O-CG1 3.3Å; S106-I110 WeakPolarHBondContact O-CG1 3.35Å; S106-I110 PolarHBondContact O-N 3.07Å; I110-T113 PolarHBondContact O-N 3.3Å; I110-L114 HydrophobicContact CG2-CD1 3.83Å; I110-L114 HydrophobicContact CG2-CG 4.27Å; I110-L114 WeakPolarHBondContact O-CB 3.36Å; I110-L114 WeakPolarHBondContact O-CG 3.39Å; I110-L114 PolarHBondContact O-N 3.16Å |
| 111 | Y | 95.7 | Very high | 94.7 | Very high | 157 Ų | 157 | 101.8 Ų | 101.8 | 62% | 0.616 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.8 | -48.6 | 178.7 | 178 | -96.8 | 0 | 0 | 0 | 111.3 | G107 D108 T113 L114 H115 | G107-Y111 VanDerWaalsContact O-CB 3.32Å; G107-Y111 WeakPolarHBondContact O-CB 3.34Å; G107-Y111 PolarHBondContact O-N 3.12Å; D108-Y111 PolarHBondContact O-N 3.49Å; Y111-T113 PolarHBondContact O-N 2.99Å; Y111-L114 PolarHBondContact O-N 3.42Å; Y111-H115 WeakPolarHBondContact O-CB 3.18Å; Y111-H115 PolarHBondContact O-N 3.43Å |
| 112 | K | 96.3 | Very high | 95.1 | Very high | 106 Ų | 106 | 104.6 Ų | 104.6 | 46% | 0.461 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.2 | -48.3 | 175.7 | -72.1 | 166.5 | -156.4 | 156.8 | 0 | 111.4 | D108 D109 H115 I116 | D108-K112 WeakPolarHBondContact O-CB 3.42Å; D108-K112 WeakPolarHBondContact O-CD 3.35Å; D108-K112 WeakPolarHBondContact O-CG 3.43Å; D108-K112 PolarHBondContact O-N 3.42Å; D109-K112 PolarHBondContact O-N 3.37Å; D109-K112 IonicContact OD1-NZ 2.99Å; D109-K112 PolarHBondContact OD1-NZ 3.18Å; K112-H115 PolarHBondContact O-N 3.39Å; K112-I116 VanDerWaalsContact O-CG1 3.25Å; K112-I116 WeakPolarHBondContact O-CG1 3.25Å; K112-I116 PolarHBondContact O-N 3.45Å |
| 113 | T | 96.3 | Very high | 95.4 | Very high | 92 Ų | 92 | 103.1 Ų | 103.1 | 56% | 0.564 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.5 | -48 | -178.3 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | D109 I110 Y111 H115 I116 K117 | D109-T113 WeakPolarHBondContact O-CB 3.4Å; D109-T113 PolarHBondContact O-N 2.91Å; D109-T113 PolarHBondContact O-OG1 2.74Å; I110-T113 PolarHBondContact O-N 3.3Å; Y111-T113 PolarHBondContact O-N 2.99Å; T113-H115 VanDerWaalsContact C-N 3.32Å; T113-H115 PolarHBondContact O-N 3.19Å; T113-I116 PolarHBondContact O-N 2.88Å; T113-K117 PolarHBondContact O-N 2.83Å |
| 114 | L | 96.9 | Very high | 95.6 | Very high | 101 Ų | 101 | 104 Ų | 104 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 177.2 | -72.3 | 177.6 | 0 | 0 | 0 | 111.9 | I110 Y111 K117 R118 | I110-L114 HydrophobicContact CG2-CD1 3.83Å; I110-L114 HydrophobicContact CG2-CG 4.27Å; I110-L114 WeakPolarHBondContact O-CB 3.36Å; I110-L114 WeakPolarHBondContact O-CG 3.39Å; I110-L114 PolarHBondContact O-N 3.16Å; Y111-L114 PolarHBondContact O-N 3.42Å; L114-K117 PolarHBondContact O-N 3.15Å; L114-R118 WeakPolarHBondContact O-CB 3.29Å; L114-R118 PolarHBondContact O-N 3.02Å |
| 115 | H | 96.8 | Very high | 95.9 | Very high | 74 Ų | 74 | 101.9 Ų | 101.9 | 34% | 0.343 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 176.2 | -167.8 | 81 | 0 | 0 | 0 | 111.2 | Y111 K112 T113 R118 K119 | Y111-H115 WeakPolarHBondContact O-CB 3.18Å; Y111-H115 PolarHBondContact O-N 3.43Å; K112-H115 PolarHBondContact O-N 3.39Å; T113-H115 VanDerWaalsContact C-N 3.32Å; T113-H115 PolarHBondContact O-N 3.19Å; H115-R118 PolarHBondContact O-N 3.03Å; H115-K119 WeakPolarHBondContact O-CB 3.47Å; H115-K119 VanDerWaalsContact O-CG 3.32Å; H115-K119 WeakPolarHBondContact O-CG 3.44Å; H115-K119 PolarHBondContact O-N 3.38Å |
| 116 | I | 96.9 | Very high | 96 | Very high | 117 Ų | 117 | 103.6 Ų | 103.6 | 60% | 0.6 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.8 | -50.6 | 175.9 | -68.2 | 163.9 | 0 | 0 | 0 | 110.7 | K112 T113 R118 K119 W120 | K112-I116 VanDerWaalsContact O-CG1 3.25Å; K112-I116 WeakPolarHBondContact O-CG1 3.25Å; K112-I116 PolarHBondContact O-N 3.45Å; T113-I116 PolarHBondContact O-N 2.88Å; I116-R118 VanDerWaalsContact C-N 3.34Å; I116-R118 PolarHBondContact O-N 3.17Å; I116-K119 PolarHBondContact O-N 2.99Å; I116-K119 VanDerWaalsContact O-N 3.15Å; I116-W120 PolarHBondContact O-N 3.35Å |
| 117 | K | 97.9 | Very high | 96.2 | Very high | 127 Ų | 127 | 106.6 Ų | 106.6 | 55% | 0.552 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.3 | -43.6 | -179.9 | -172.6 | -179.3 | -177.4 | -171.3 | 0 | 112.3 | T113 L114 W120 M121 | T113-K117 PolarHBondContact O-N 2.83Å; L114-K117 PolarHBondContact O-N 3.15Å; K117-W120 PolarHBondContact O-N 3.16Å; K117-M121 HydrophobicContact CG-SD 4.49Å; K117-M121 WeakPolarHBondContact O-CG 3.33Å; K117-M121 PolarHBondContact O-N 3.35Å |
| 118 | R | 97.4 | Very high | 96.3 | Very high | 148 Ų | 148 | 107.4 Ų | 107.4 | 56% | 0.558 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.3 | -47.4 | 176 | -176.1 | -171.7 | -59.6 | 159.9 | 3.2 | 110.8 | L114 H115 I116 W120 M121 E122 | L114-R118 WeakPolarHBondContact O-CB 3.29Å; L114-R118 PolarHBondContact O-N 3.02Å; H115-R118 PolarHBondContact O-N 3.03Å; I116-R118 VanDerWaalsContact C-N 3.34Å; I116-R118 PolarHBondContact O-N 3.17Å; R118-W120 VanDerWaalsContact C-N 3.31Å; R118-W120 PolarHBondContact O-N 3.24Å; R118-M121 PolarHBondContact O-N 2.85Å; R118-E122 WeakPolarHBondContact CD-OE1 3.37Å; R118-E122 HydrophobicContact CG-CG 4.32Å; R118-E122 WeakPolarHBondContact CG-OE1 3.26Å; R118-E122 WeakPolarHBondContact O-CB 3.26Å; R118-E122 WeakPolarHBondContact O-CG 3.5Å; R118-E122 PolarHBondContact O-N 3.42Å |
| 119 | K | 97.9 | Very high | 96.4 | Very high | 98 Ų | 98 | 109 Ų | 109 | 43% | 0.426 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 179.3 | -75.2 | -73.6 | 159.9 | -141.8 | 0 | 112.2 | H115 I116 E122 T123 | H115-K119 WeakPolarHBondContact O-CB 3.47Å; H115-K119 VanDerWaalsContact O-CG 3.32Å; H115-K119 WeakPolarHBondContact O-CG 3.44Å; H115-K119 PolarHBondContact O-N 3.38Å; I116-K119 PolarHBondContact O-N 2.99Å; I116-K119 VanDerWaalsContact O-N 3.15Å; K119-E122 IonicContact NZ-OE2 2.87Å; K119-E122 PolarHBondContact NZ-OE2 2.95Å; K119-T123 WeakPolarHBondContact O-CB 3.37Å; K119-T123 PolarHBondContact O-N 3.38Å; K119-T123 PolarHBondContact O-OG1 2.78Å |
| 120 | W | 97 | Very high | 96.5 | Very high | 150 Ų | 150 | 112.1 Ų | 112.1 | 57% | 0.568 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.6 | -50.9 | 174.4 | 178.1 | 81.1 | 0 | 0 | 0 | 111.9 | I116 K117 R118 E122 T123 Y124 | I116-W120 PolarHBondContact O-N 3.35Å; K117-W120 PolarHBondContact O-N 3.16Å; R118-W120 VanDerWaalsContact C-N 3.31Å; R118-W120 PolarHBondContact O-N 3.24Å; W120-E122 PolarHBondContact O-N 3.49Å; W120-T123 PolarHBondContact O-N 3.09Å; W120-Y124 WeakPolarHBondContact O-CB 3.44Å; W120-Y124 PolarHBondContact O-N 3.13Å |
| 121 | M | 97.8 | Very high | 96.5 | Very high | 98 Ų | 98 | 109.1 Ų | 109.1 | 48% | 0.483 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 179.1 | -70.6 | -178.4 | 63.4 | 0 | 0 | 112.7 | K117 R118 T123 Y124 V125 | K117-M121 HydrophobicContact CG-SD 4.49Å; K117-M121 WeakPolarHBondContact O-CG 3.33Å; K117-M121 PolarHBondContact O-N 3.35Å; R118-M121 PolarHBondContact O-N 2.85Å; M121-T123 VanDerWaalsContact C-N 3.26Å; M121-T123 PolarHBondContact O-N 2.6Å; M121-Y124 PolarHBondContact O-N 3.45Å; M121-V125 WeakPolarHBondContact O-CG2 3.46Å; M121-V125 PolarHBondContact O-N 2.87Å |
| 122 | E | 96.7 | Very high | 96.5 | Very high | 95 Ų | 95 | 105.1 Ų | 105.1 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.1 | -43.3 | 176 | -77.6 | 173.8 | -175.3 | 0 | 0 | 111.1 | R118 K119 W120 K126 | R118-E122 WeakPolarHBondContact CD-OE1 3.37Å; R118-E122 HydrophobicContact CG-CG 4.32Å; R118-E122 WeakPolarHBondContact CG-OE1 3.26Å; R118-E122 WeakPolarHBondContact O-CB 3.26Å; R118-E122 WeakPolarHBondContact O-CG 3.5Å; R118-E122 PolarHBondContact O-N 3.42Å; K119-E122 IonicContact NZ-OE2 2.87Å; K119-E122 PolarHBondContact NZ-OE2 2.95Å; W120-E122 PolarHBondContact O-N 3.49Å; E122-K126 WeakPolarHBondContact O-CB 3.17Å; E122-K126 PolarHBondContact O-N 3.19Å; E122-K126 VanDerWaalsContact O-N 3.15Å |
| 123 | T | 97 | Very high | 96.6 | Very high | 64 Ų | 64 | 104.4 Ų | 104.4 | 39% | 0.393 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.3 | -50.1 | -180 | -56.3 | 0 | 0 | 0 | 0 | 111 | K119 W120 M121 V125 K126 E127 | K119-T123 WeakPolarHBondContact O-CB 3.37Å; K119-T123 PolarHBondContact O-N 3.38Å; K119-T123 PolarHBondContact O-OG1 2.78Å; W120-T123 PolarHBondContact O-N 3.09Å; M121-T123 VanDerWaalsContact C-N 3.26Å; M121-T123 PolarHBondContact O-N 2.6Å; T123-V125 PolarHBondContact O-N 3.42Å; T123-K126 PolarHBondContact O-N 3.41Å; T123-E127 HydrophobicContact CG2-CG 4.3Å; T123-E127 WeakPolarHBondContact CG2-OE1 3.31Å; T123-E127 WeakPolarHBondContact O-CB 3.33Å; T123-E127 WeakPolarHBondContact O-CG 3.38Å; T123-E127 PolarHBondContact O-N 3.24Å |
| 124 | Y | 96.2 | Very high | 96.6 | Very high | 133 Ų | 133 | 104.4 Ų | 104.4 | 52% | 0.522 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56 | -48.5 | 180 | 175.9 | -97.9 | 0 | 0 | 0 | 112.6 | W120 M121 E127 S128 | W120-Y124 WeakPolarHBondContact O-CB 3.44Å; W120-Y124 PolarHBondContact O-N 3.13Å; M121-Y124 PolarHBondContact O-N 3.45Å; Y124-E127 PolarHBondContact O-N 3.05Å; Y124-S128 VanDerWaalsContact O-CB 3.29Å; Y124-S128 WeakPolarHBondContact O-CB 3.44Å; Y124-S128 PolarHBondContact O-N 3.13Å; Y124-S128 PolarHBondContact O-OG 3.39Å |
| 125 | V | 96.4 | Very high | 96.6 | Very high | 73 Ų | 73 | 107.5 Ų | 107.5 | 44% | 0.442 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 178.5 | 173 | 0 | 0 | 0 | 0 | 110.1 | M121 T123 E127 S128 F129 | M121-V125 WeakPolarHBondContact O-CG2 3.46Å; M121-V125 PolarHBondContact O-N 2.87Å; T123-V125 PolarHBondContact O-N 3.42Å; V125-E127 VanDerWaalsContact C-N 3.32Å; V125-E127 PolarHBondContact O-N 3.43Å; V125-S128 PolarHBondContact O-N 3.18Å; V125-F129 HydrophobicContact CG1-CD2 3.67Å; V125-F129 HydrophobicContact CG1-CE2 3.85Å; V125-F129 WeakPolarHBondContact O-CD2 3.47Å; V125-F129 PolarHBondContact O-N 2.9Å |
| 126 | K | 96.6 | Very high | 96.7 | Very high | 159 Ų | 159 | 108.8 Ų | 108.8 | 69% | 0.691 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.4 | -43 | 179.9 | -177.2 | -179.3 | 179.3 | -176.5 | 0 | 112 | E122 T123 K130 | E122-K126 WeakPolarHBondContact O-CB 3.17Å; E122-K126 PolarHBondContact O-N 3.19Å; E122-K126 VanDerWaalsContact O-N 3.15Å; T123-K126 PolarHBondContact O-N 3.41Å; K126-K130 VanDerWaalsContact O-CB 3.25Å; K126-K130 WeakPolarHBondContact O-CB 3.41Å; K126-K130 PolarHBondContact O-N 3.33Å |
| 127 | E | 95.6 | Very high | 96.7 | Very high | 126 Ų | 126 | 108 Ų | 108 | 59% | 0.589 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.1 | -44.8 | 179.4 | -72.1 | 176 | 169.3 | 0 | 0 | 111.7 | T123 Y124 V125 F129 K130 G131 | T123-E127 HydrophobicContact CG2-CG 4.3Å; T123-E127 WeakPolarHBondContact CG2-OE1 3.31Å; T123-E127 WeakPolarHBondContact O-CB 3.33Å; T123-E127 WeakPolarHBondContact O-CG 3.38Å; T123-E127 PolarHBondContact O-N 3.24Å; Y124-E127 PolarHBondContact O-N 3.05Å; V125-E127 VanDerWaalsContact C-N 3.32Å; V125-E127 PolarHBondContact O-N 3.43Å; E127-F129 PolarHBondContact O-N 3.41Å; E127-K130 PolarHBondContact O-N 2.88Å; E127-G131 PolarHBondContact O-N 3.45Å; E127-G131 VanDerWaalsContact O-N 3.16Å |
| 128 | S | 94.6 | Very high | 96.7 | Very high | 55 Ų | 55 | 109.4 Ų | 109.4 | 39% | 0.385 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.6 | -47.5 | 177.4 | -62.6 | 0 | 0 | 0 | 0 | 111.9 | Y124 V125 S132 | Y124-S128 VanDerWaalsContact O-CB 3.29Å; Y124-S128 WeakPolarHBondContact O-CB 3.44Å; Y124-S128 PolarHBondContact O-N 3.13Å; Y124-S128 PolarHBondContact O-OG 3.39Å; V125-S128 PolarHBondContact O-N 3.18Å; S128-S132 WeakPolarHBondContact O-CB 3.35Å; S128-S132 PolarHBondContact O-N 3.25Å |
| 129 | F | 96 | Very high | 96.7 | Very high | 124 Ų | 124 | 108.7 Ų | 108.7 | 54% | 0.544 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.1 | -33.5 | 178.1 | -85.2 | -80.5 | 0 | 0 | 0 | 112.9 | V125 E127 N133 | V125-F129 HydrophobicContact CG1-CD2 3.67Å; V125-F129 HydrophobicContact CG1-CE2 3.85Å; V125-F129 WeakPolarHBondContact O-CD2 3.47Å; V125-F129 PolarHBondContact O-N 2.9Å; E127-F129 PolarHBondContact O-N 3.41Å; F129-N133 WeakPolarHBondContact O-CB 3.33Å; F129-N133 PolarHBondContact O-N 3.42Å; F129-N133 PolarHBondContact O-ND2 3.01Å |
| 130 | K | 96.6 | Very high | 96.8 | Very high | 151 Ų | 151 | 107 Ų | 107 | 66% | 0.657 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.8 | -49 | -179.9 | -175.6 | -178.7 | 178.8 | -171.3 | 0 | 111.4 | K126 E127 Q134 | K126-K130 VanDerWaalsContact O-CB 3.25Å; K126-K130 WeakPolarHBondContact O-CB 3.41Å; K126-K130 PolarHBondContact O-N 3.33Å; E127-K130 PolarHBondContact O-N 2.88Å; K130-Q134 WeakPolarHBondContact O-CB 3.43Å; K130-Q134 PolarHBondContact O-N 2.96Å |
| 131 | G | 93.6 | Very high | 96.8 | Very high | 43 Ų | 43 | 105 Ų | 105 | 44% | 0.443 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -47.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E127 Q134 K135 | E127-G131 PolarHBondContact O-N 3.45Å; E127-G131 VanDerWaalsContact O-N 3.16Å; G131-Q134 PolarHBondContact O-N 3.07Å; G131-K135 PolarHBondContact O-N 3.43Å; G131-K135 VanDerWaalsContact O-N 3.09Å |
| 132 | S | 96.4 | Very high | 96.9 | Very high | 74 Ų | 74 | 103 Ų | 103 | 52% | 0.517 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -48.1 | -179 | -173 | 0 | 0 | 0 | 0 | 112.6 | S128 Q134 K135 L136 | S128-S132 WeakPolarHBondContact O-CB 3.35Å; S128-S132 PolarHBondContact O-N 3.25Å; S132-Q134 VanDerWaalsContact C-N 3.34Å; S132-Q134 PolarHBondContact O-N 2.93Å; S132-K135 PolarHBondContact O-N 3.44Å; S132-L136 PolarHBondContact O-N 3.48Å |
| 133 | N | 97.4 | Very high | 96.9 | Very high | 90 Ų | 90 | 102.4 Ų | 102.4 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 179.7 | -74 | -12.8 | 0 | 0 | 0 | 112 | F129 K135 L136 E137 | F129-N133 WeakPolarHBondContact O-CB 3.33Å; F129-N133 PolarHBondContact O-N 3.42Å; F129-N133 PolarHBondContact O-ND2 3.01Å; N133-K135 VanDerWaalsContact C-N 3.34Å; N133-K135 PolarHBondContact O-N 2.96Å; N133-L136 PolarHBondContact O-N 2.95Å; N133-E137 WeakPolarHBondContact O-CB 3.39Å; N133-E137 PolarHBondContact O-N 3.13Å |
| 134 | Q | 97.5 | Very high | 97 | Very high | 92 Ų | 92 | 104.4 Ų | 104.4 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 176.8 | -172.5 | 174.9 | 25.8 | 0 | 0 | 111.8 | K130 G131 S132 R138 | K130-Q134 WeakPolarHBondContact O-CB 3.43Å; K130-Q134 PolarHBondContact O-N 2.96Å; G131-Q134 PolarHBondContact O-N 3.07Å; S132-Q134 VanDerWaalsContact C-N 3.34Å; S132-Q134 PolarHBondContact O-N 2.93Å; Q134-R138 WeakPolarHBondContact O-CB 3.39Å; Q134-R138 VanDerWaalsContact O-CG 3.26Å; Q134-R138 WeakPolarHBondContact O-CG 2.88Å; Q134-R138 PolarHBondContact O-N 3.39Å; Q134-R138 VanDerWaalsContact O-N 3.13Å |
| 135 | K | 97.1 | Very high | 97.1 | Very high | 166 Ų | 166 | 105.4 Ų | 105.4 | 72% | 0.722 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.9 | -45.4 | 176.3 | -172 | 176.9 | -179.9 | 179.9 | 0 | 111.1 | G131 S132 N133 R138 F139 | G131-K135 PolarHBondContact O-N 3.43Å; G131-K135 VanDerWaalsContact O-N 3.09Å; S132-K135 PolarHBondContact O-N 3.44Å; N133-K135 VanDerWaalsContact C-N 3.34Å; N133-K135 PolarHBondContact O-N 2.96Å; K135-R138 PolarHBondContact O-N 3.47Å; K135-F139 WeakPolarHBondContact O-CB 3.37Å; K135-F139 PolarHBondContact O-N 3.38Å |
| 136 | L | 97.5 | Very high | 97.2 | Very high | 101 Ų | 101 | 106.9 Ų | 106.9 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 177.9 | -179.2 | 61.2 | 0 | 0 | 0 | 111.7 | S132 N133 R138 F139 C140 | S132-L136 PolarHBondContact O-N 3.48Å; N133-L136 PolarHBondContact O-N 2.95Å; L136-R138 VanDerWaalsContact C-N 3.35Å; L136-R138 PolarHBondContact O-N 2.92Å; L136-F139 PolarHBondContact O-N 3.44Å; L136-C140 WeakPolarHBondContact O-CB 3.08Å; L136-C140 PolarHBondContact O-N 2.94Å; L136-C140 PolarHBondContact O-SG 3.19Å; L136-C140 VanDerWaalsContact O-SG 3.33Å |
| 137 | E | 97.7 | Very high | 97.3 | Very high | 102 Ų | 102 | 102.9 Ų | 102.9 | 48% | 0.477 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 179.4 | -174.5 | -176.2 | -174 | 0 | 0 | 111.8 | N133 K141 | N133-E137 WeakPolarHBondContact O-CB 3.39Å; N133-E137 PolarHBondContact O-N 3.13Å; E137-K141 HydrophobicContact CG-CD 4.18Å; E137-K141 WeakPolarHBondContact O-CB 3.46Å; E137-K141 VanDerWaalsContact O-CG 3.31Å; E137-K141 WeakPolarHBondContact O-CG 3.35Å; E137-K141 PolarHBondContact O-N 3.43Å; E137-K141 VanDerWaalsContact OE1-CE 3.26Å; E137-K141 WeakPolarHBondContact OE1-CE 3.42Å; E137-K141 IonicContact OE1-NZ 2.6Å; E137-K141 PolarHBondContact OE1-NZ 3.19Å |
| 138 | R | 98.2 | Very high | 97.4 | Very high | 155 Ų | 155 | 102 Ų | 102 | 59% | 0.585 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.5 | -46.5 | 176.1 | -72.9 | 177 | -172.5 | -169.9 | 5.8 | 111.4 | Q134 K135 L136 K141 T142 | Q134-R138 WeakPolarHBondContact O-CB 3.39Å; Q134-R138 VanDerWaalsContact O-CG 3.26Å; Q134-R138 WeakPolarHBondContact O-CG 2.88Å; Q134-R138 PolarHBondContact O-N 3.39Å; Q134-R138 VanDerWaalsContact O-N 3.13Å; K135-R138 PolarHBondContact O-N 3.47Å; L136-R138 VanDerWaalsContact C-N 3.35Å; L136-R138 PolarHBondContact O-N 2.92Å; R138-K141 PolarHBondContact O-N 2.94Å; R138-T142 WeakPolarHBondContact O-CB 2.94Å; R138-T142 PolarHBondContact O-N 3.26Å; R138-T142 PolarHBondContact O-OG1 2.95Å; R138-T142 VanDerWaalsContact O-OG1 3.13Å |
| 139 | F | 98 | Very high | 97.6 | Very high | 134 Ų | 134 | 103.1 Ų | 103.1 | 59% | 0.588 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.6 | -50.1 | 178.7 | 175.7 | -100.1 | 0 | 0 | 0 | 111.4 | K135 L136 K141 T142 N143 | K135-F139 WeakPolarHBondContact O-CB 3.37Å; K135-F139 PolarHBondContact O-N 3.38Å; L136-F139 PolarHBondContact O-N 3.44Å; F139-K141 PolarHBondContact O-N 3.46Å; F139-T142 PolarHBondContact O-N 3.21Å; F139-N143 WeakPolarHBondContact O-CB 3.36Å; F139-N143 PolarHBondContact O-N 3.42Å |
| 140 | C | 98.3 | Very high | 97.7 | Very high | 63 Ų | 63 | 101.1 Ų | 101.1 | 43% | 0.426 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 179.5 | -70 | 0 | 0 | 0 | 0 | 112.2 | L136 T142 N143 E144 | L136-C140 WeakPolarHBondContact O-CB 3.08Å; L136-C140 PolarHBondContact O-N 2.94Å; L136-C140 PolarHBondContact O-SG 3.19Å; L136-C140 VanDerWaalsContact O-SG 3.33Å; C140-T142 VanDerWaalsContact C-N 3.34Å; C140-T142 PolarHBondContact O-N 2.99Å; C140-N143 PolarHBondContact O-N 3.41Å; C140-E144 WeakPolarHBondContact O-CB 3.46Å; C140-E144 PolarHBondContact O-N 3.46Å |
| 141 | K | 98.4 | Very high | 97.8 | Very high | 106 Ų | 106 | 95.1 Ų | 95.1 | 46% | 0.461 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 178.8 | -73.7 | 178.1 | -176.2 | 176.3 | 0 | 112.8 | E137 R138 F139 R145 | E137-K141 HydrophobicContact CG-CD 4.18Å; E137-K141 WeakPolarHBondContact O-CB 3.46Å; E137-K141 VanDerWaalsContact O-CG 3.31Å; E137-K141 WeakPolarHBondContact O-CG 3.35Å; E137-K141 PolarHBondContact O-N 3.43Å; E137-K141 VanDerWaalsContact OE1-CE 3.26Å; E137-K141 WeakPolarHBondContact OE1-CE 3.42Å; E137-K141 IonicContact OE1-NZ 2.6Å; E137-K141 PolarHBondContact OE1-NZ 3.19Å; R138-K141 PolarHBondContact O-N 2.94Å; F139-K141 PolarHBondContact O-N 3.46Å; K141-R145 WeakPolarHBondContact O-CB 3.36Å; K141-R145 PolarHBondContact O-N 3.09Å |
| 142 | T | 98.5 | Very high | 98 | Very high | 58 Ų | 58 | 96.5 Ų | 96.5 | 36% | 0.356 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.4 | -49.3 | 177.4 | -65.8 | 0 | 0 | 0 | 0 | 110.8 | R138 F139 C140 E144 R145 E146 | R138-T142 WeakPolarHBondContact O-CB 2.94Å; R138-T142 PolarHBondContact O-N 3.26Å; R138-T142 PolarHBondContact O-OG1 2.95Å; R138-T142 VanDerWaalsContact O-OG1 3.13Å; F139-T142 PolarHBondContact O-N 3.21Å; C140-T142 VanDerWaalsContact C-N 3.34Å; C140-T142 PolarHBondContact O-N 2.99Å; T142-E144 VanDerWaalsContact C-N 3.34Å; T142-E144 PolarHBondContact O-N 3.01Å; T142-R145 PolarHBondContact O-N 2.61Å; T142-E146 HydrophobicContact CG2-CG 4.44Å; T142-E146 WeakPolarHBondContact O-CG 3.42Å; T142-E146 PolarHBondContact O-N 3.17Å |
| 143 | N | 98.4 | Very high | 98.1 | Very high | 81 Ų | 81 | 98.5 Ų | 98.5 | 43% | 0.433 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 179.1 | -174 | 55 | 0 | 0 | 0 | 112.2 | F139 C140 R145 E146 R147 | F139-N143 WeakPolarHBondContact O-CB 3.36Å; F139-N143 PolarHBondContact O-N 3.42Å; C140-N143 PolarHBondContact O-N 3.41Å; N143-R145 PolarHBondContact O-N 3.02Å; N143-E146 PolarHBondContact O-N 3.23Å; N143-R147 WeakPolarHBondContact O-CB 3.4Å; N143-R147 PolarHBondContact O-N 2.93Å |
| 144 | E | 98.4 | Very high | 98.1 | Very high | 106 Ų | 106 | 98.2 Ų | 98.2 | 50% | 0.495 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 176.3 | -173.1 | -177.6 | 177.3 | 0 | 0 | 112.1 | C140 T142 K148 | C140-E144 WeakPolarHBondContact O-CB 3.46Å; C140-E144 PolarHBondContact O-N 3.46Å; T142-E144 VanDerWaalsContact C-N 3.34Å; T142-E144 PolarHBondContact O-N 3.01Å; E144-K148 WeakPolarHBondContact O-CB 3.23Å; E144-K148 PolarHBondContact O-N 3.04Å |
| 145 | R | 98.4 | Very high | 98.2 | Very high | 154 Ų | 154 | 95.9 Ų | 95.9 | 58% | 0.581 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.6 | -46 | 179.3 | -172.6 | -171.3 | -56.8 | 109.8 | 3.1 | 111.9 | K141 T142 N143 R147 K148 N149 | K141-R145 WeakPolarHBondContact O-CB 3.36Å; K141-R145 PolarHBondContact O-N 3.09Å; T142-R145 PolarHBondContact O-N 2.61Å; N143-R145 PolarHBondContact O-N 3.02Å; R145-R147 VanDerWaalsContact C-N 3.34Å; R145-K148 PolarHBondContact O-N 3Å; R145-N149 WeakPolarHBondContact O-CB 3.42Å; R145-N149 PolarHBondContact O-N 3.14Å |
| 146 | E | 98.5 | Very high | 98.2 | Very high | 105 Ų | 105 | 94.3 Ų | 94.3 | 49% | 0.491 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | -179.9 | -75.4 | 178.1 | 176 | 0 | 0 | 110.8 | T142 N143 K148 N149 I150 | T142-E146 HydrophobicContact CG2-CG 4.44Å; T142-E146 WeakPolarHBondContact O-CG 3.42Å; T142-E146 PolarHBondContact O-N 3.17Å; N143-E146 PolarHBondContact O-N 3.23Å; E146-K148 PolarHBondContact O-N 2.92Å; E146-N149 WeakPolarHBondContact O-CB 3.31Å; E146-N149 PolarHBondContact O-N 3.4Å; E146-I150 WeakPolarHBondContact O-CG1 3.4Å; E146-I150 PolarHBondContact O-N 3.14Å |
| 147 | R | 98.6 | Very high | 98.2 | Very high | 74 Ų | 74 | 95.2 Ų | 95.2 | 28% | 0.279 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.3 | -39.9 | -178 | 95.7 | 165.3 | 178.2 | 130.4 | 6.5 | 111 | E15 G16 N143 R145 N149 I150 N151 | E15-R147 VanDerWaalsContact C-CG 3.46Å; E15-R147 VanDerWaalsContact C-CZ 3.5Å; E15-R147 VanDerWaalsContact CB-NH2 3.35Å; E15-R147 HydrophobicContact CG-CG 4.23Å; E15-R147 VanDerWaalsContact CG-CZ 3.46Å; E15-R147 VanDerWaalsContact CG-NH2 3.3Å; E15-R147 WeakPolarHBondContact O-CD 3.44Å; E15-R147 VanDerWaalsContact O-CZ 3.24Å; E15-R147 PolarHBondContact O-NE 3.31Å; E15-R147 PolarHBondContact O-NH1 3.23Å; E15-R147 IonicContact OE2-NH2 3.62Å; G16-R147 VanDerWaalsContact CA-CA 3.44Å; G16-R147 WeakPolarHBondContact CA-O 3.35Å; G16-R147 VanDerWaalsContact N-CB 3.34Å; G16-R147 PolarHBondContact N-O 3.44Å; G16-R147 WeakPolarHBondContact O-CB 3.48Å; N143-R147 WeakPolarHBondContact O-CB 3.4Å; N143-R147 PolarHBondContact O-N 2.93Å; R145-R147 VanDerWaalsContact C-N 3.34Å; R147-N149 PolarHBondContact O-N 3.48Å; R147-I150 PolarHBondContact O-N 2.99Å; R147-N151 WeakPolarHBondContact O-CB 3.31Å; R147-N151 PolarHBondContact O-N 3.43Å |
| 148 | K | 98.4 | Very high | 98.2 | Very high | 107 Ų | 107 | 95.5 Ų | 95.5 | 47% | 0.465 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 172.7 | -175.5 | 172.6 | -177.3 | 168.3 | 0 | 112.5 | E15 E144 R145 E146 N151 N152 | E15-K148 HydrophobicContact CG-CB 4.4Å; E144-K148 WeakPolarHBondContact O-CB 3.23Å; E144-K148 PolarHBondContact O-N 3.04Å; R145-K148 PolarHBondContact O-N 3Å; E146-K148 PolarHBondContact O-N 2.92Å; K148-N151 PolarHBondContact O-N 3.39Å; K148-N152 WeakPolarHBondContact O-CB 3.4Å; K148-N152 PolarHBondContact O-N 3.34Å; K148-N152 PolarHBondContact O-OD1 2.93Å |
| 149 | N | 98.4 | Very high | 98.2 | Very high | 79 Ų | 79 | 92.8 Ų | 92.8 | 42% | 0.422 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 178.4 | -177.4 | 43.3 | 0 | 0 | 0 | 112.2 | R145 E146 R147 N152 K153 | R145-N149 WeakPolarHBondContact O-CB 3.42Å; R145-N149 PolarHBondContact O-N 3.14Å; E146-N149 WeakPolarHBondContact O-CB 3.31Å; E146-N149 PolarHBondContact O-N 3.4Å; R147-N149 PolarHBondContact O-N 3.48Å; N149-N152 PolarHBondContact O-N 3.33Å; N149-K153 WeakPolarHBondContact O-CG 3.45Å; N149-K153 PolarHBondContact O-N 3.28Å; N149-K153 VanDerWaalsContact O-N 3.09Å; N149-K153 WeakPolarHBondContact OD1-CE 3.31Å |
| 150 | I | 98.1 | Very high | 98.2 | Very high | 83 Ų | 83 | 90 Ų | 90 | 43% | 0.426 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.5 | -49.7 | 176.9 | -68.8 | 166.9 | 0 | 0 | 0 | 110.2 | E146 R147 N152 K153 F154 | E146-I150 WeakPolarHBondContact O-CG1 3.4Å; E146-I150 PolarHBondContact O-N 3.14Å; R147-I150 PolarHBondContact O-N 2.99Å; I150-N152 VanDerWaalsContact C-N 3.35Å; I150-N152 PolarHBondContact O-N 3.32Å; I150-K153 PolarHBondContact O-N 2.98Å; I150-F154 HydrophobicContact CG2-CD2 3.72Å; I150-F154 HydrophobicContact CG2-CE2 3.74Å; I150-F154 VanDerWaalsContact O-CD2 3.31Å; I150-F154 WeakPolarHBondContact O-CD2 3.45Å; I150-F154 PolarHBondContact O-N 3.38Å; I150-F154 VanDerWaalsContact O-N 3.09Å |
| 151 | N | 98.2 | Very high | 98.2 | Very high | 24 Ų | 24 | 91.4 Ų | 91.4 | 13% | 0.128 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -60.2 | -44 | -179.6 | -174.9 | 73.4 | 0 | 0 | 0 | 112.1 | P13 K14 R147 K148 F154 C155 | P13-N151 VanDerWaalsContact CB-OD1 3.23Å; P13-N151 WeakPolarHBondContact CB-OD1 3.16Å; K14-N151 PolarHBondContact O-OD1 3.12Å; R147-N151 WeakPolarHBondContact O-CB 3.31Å; R147-N151 PolarHBondContact O-N 3.43Å; K148-N151 PolarHBondContact O-N 3.39Å; N151-F154 PolarHBondContact O-N 3.09Å; N151-C155 WeakPolarHBondContact O-CB 3.26Å; N151-C155 PolarHBondContact O-N 3.41Å; N151-C155 PolarHBondContact O-SG 3.48Å |
| 152 | N | 98.4 | Very high | 98.2 | Very high | 73 Ų | 73 | 92.3 Ų | 92.3 | 39% | 0.39 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 178.5 | -73.1 | -1.7 | 0 | 0 | 0 | 112.1 | K148 N149 I150 F154 C155 E156 | K148-N152 WeakPolarHBondContact O-CB 3.4Å; K148-N152 PolarHBondContact O-N 3.34Å; K148-N152 PolarHBondContact O-OD1 2.93Å; N149-N152 PolarHBondContact O-N 3.33Å; I150-N152 VanDerWaalsContact C-N 3.35Å; I150-N152 PolarHBondContact O-N 3.32Å; N152-F154 VanDerWaalsContact C-N 3.32Å; N152-F154 PolarHBondContact O-N 2.97Å; N152-C155 PolarHBondContact O-N 2.99Å; N152-E156 WeakPolarHBondContact O-CG 3.45Å; N152-E156 PolarHBondContact O-N 3.08Å |
| 153 | K | 98.1 | Very high | 98.2 | Very high | 116 Ų | 116 | 95.2 Ų | 95.2 | 50% | 0.504 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.9 | -43.2 | 177.6 | -74.1 | 177.7 | 178.4 | -175.4 | 0 | 112.1 | N149 I150 Q157 | N149-K153 WeakPolarHBondContact O-CG 3.45Å; N149-K153 PolarHBondContact O-N 3.28Å; N149-K153 VanDerWaalsContact O-N 3.09Å; N149-K153 WeakPolarHBondContact OD1-CE 3.31Å; I150-K153 PolarHBondContact O-N 2.98Å; K153-Q157 WeakPolarHBondContact O-CG 3.15Å; K153-Q157 PolarHBondContact O-N 3.03Å; K153-Q157 VanDerWaalsContact O-N 3.14Å |
| 154 | F | 97.7 | Very high | 98.2 | Very high | 83 Ų | 83 | 97.4 Ų | 97.4 | 36% | 0.364 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 176.3 | -85.9 | -69.4 | 0 | 0 | 0 | 111.9 | L18 I150 N151 N152 E156 Q157 Y158 | L18-F154 HydrophobicContact CD1-CB 4.19Å; L18-F154 HydrophobicContact CD1-CD1 4.02Å; L18-F154 HydrophobicContact CD1-CD2 3.99Å; L18-F154 HydrophobicContact CD1-CE1 4.39Å; L18-F154 HydrophobicContact CD1-CE2 4.37Å; L18-F154 HydrophobicContact CD1-CG 3.81Å; I150-F154 HydrophobicContact CG2-CD2 3.72Å; I150-F154 HydrophobicContact CG2-CE2 3.74Å; I150-F154 VanDerWaalsContact O-CD2 3.31Å; I150-F154 WeakPolarHBondContact O-CD2 3.45Å; I150-F154 PolarHBondContact O-N 3.38Å; I150-F154 VanDerWaalsContact O-N 3.09Å; N151-F154 PolarHBondContact O-N 3.09Å; N152-F154 VanDerWaalsContact C-N 3.32Å; N152-F154 PolarHBondContact O-N 2.97Å; F154-E156 PolarHBondContact O-N 2.76Å; F154-Q157 PolarHBondContact O-N 3.42Å; F154-Y158 VanDerWaalsContact O-CD2 3.23Å; F154-Y158 WeakPolarHBondContact O-CD2 3.47Å; F154-Y158 PolarHBondContact O-N 2.97Å |
| 155 | C | 97.9 | Very high | 98.3 | Very high | 43 Ų | 43 | 95.1 Ų | 95.1 | 29% | 0.291 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 177.6 | -72.3 | 0 | 0 | 0 | 0 | 112.2 | N151 N152 Q157 Y158 I159 | N151-C155 WeakPolarHBondContact O-CB 3.26Å; N151-C155 PolarHBondContact O-N 3.41Å; N151-C155 PolarHBondContact O-SG 3.48Å; N152-C155 PolarHBondContact O-N 2.99Å; C155-Q157 PolarHBondContact O-N 3.43Å; C155-Y158 PolarHBondContact O-N 3.34Å; C155-I159 VanDerWaalsContact O-CG1 3.26Å; C155-I159 WeakPolarHBondContact O-CG1 3.43Å; C155-I159 PolarHBondContact O-N 2.83Å |
| 156 | E | 98.1 | Very high | 98.3 | Very high | 133 Ų | 133 | 92.4 Ų | 92.4 | 62% | 0.621 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -60.8 | -43.4 | 177.2 | -74.2 | 175 | -178.6 | 0 | 0 | 112.2 | N152 F154 I159 S160 | N152-E156 WeakPolarHBondContact O-CG 3.45Å; N152-E156 PolarHBondContact O-N 3.08Å; F154-E156 PolarHBondContact O-N 2.76Å; E156-I159 PolarHBondContact O-N 2.81Å; E156-S160 WeakPolarHBondContact O-CB 3.23Å; E156-S160 PolarHBondContact O-N 3.23Å |
| 157 | Q | 98.2 | Very high | 98.3 | Very high | 121 Ų | 121 | 92.2 Ų | 92.2 | 57% | 0.565 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.9 | -44.4 | 176.8 | -75.7 | -179.9 | -15.3 | 0 | 0 | 112.4 | K153 F154 C155 T161 | K153-Q157 WeakPolarHBondContact O-CG 3.15Å; K153-Q157 PolarHBondContact O-N 3.03Å; K153-Q157 VanDerWaalsContact O-N 3.14Å; F154-Q157 PolarHBondContact O-N 3.42Å; C155-Q157 PolarHBondContact O-N 3.43Å; Q157-T161 WeakPolarHBondContact O-CB 3.35Å; Q157-T161 PolarHBondContact O-N 3.36Å; Q157-T161 PolarHBondContact O-OG1 3.49Å |
| 158 | Y | 97.8 | Very high | 98.3 | Very high | 108 Ų | 108 | 92.2 Ų | 92.2 | 42% | 0.424 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.6 | -49.1 | 177 | -85.6 | -68.5 | 0 | 0 | 0 | 111.5 | F154 C155 S160 T161 F162 | F154-Y158 VanDerWaalsContact O-CD2 3.23Å; F154-Y158 WeakPolarHBondContact O-CD2 3.47Å; F154-Y158 PolarHBondContact O-N 2.97Å; C155-Y158 PolarHBondContact O-N 3.34Å; Y158-S160 PolarHBondContact O-N 2.93Å; Y158-T161 PolarHBondContact O-N 3.08Å; Y158-F162 HydrophobicContact CD1-CD2 4.48Å; Y158-F162 AromaticContact CD1-CE2 3.81Å; Y158-F162 HydrophobicContact CD1-CE2 3.81Å; Y158-F162 WeakPolarHBondContact O-CD2 3.45Å; Y158-F162 PolarHBondContact O-N 3.03Å |
| 159 | I | 98.2 | Very high | 98.3 | Very high | 97 Ų | 97 | 90.7 Ų | 90.7 | 50% | 0.497 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.6 | -48.6 | -179.1 | -69.1 | 165.7 | 0 | 0 | 0 | 110.6 | C155 E156 T161 F162 Q163 | C155-I159 VanDerWaalsContact O-CG1 3.26Å; C155-I159 WeakPolarHBondContact O-CG1 3.43Å; C155-I159 PolarHBondContact O-N 2.83Å; E156-I159 PolarHBondContact O-N 2.81Å; I159-T161 VanDerWaalsContact C-N 3.32Å; I159-T161 PolarHBondContact O-N 3.05Å; I159-F162 PolarHBondContact O-N 3.35Å; I159-Q163 HydrophobicContact CG2-CG 4.41Å; I159-Q163 WeakPolarHBondContact O-CB 3.44Å; I159-Q163 VanDerWaalsContact O-CG 3.31Å; I159-Q163 WeakPolarHBondContact O-CG 3.46Å; I159-Q163 PolarHBondContact O-N 3.5Å |
| 160 | S | 98.2 | Very high | 98.3 | Very high | 76 Ų | 76 | 92.8 Ų | 92.8 | 53% | 0.531 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 179.6 | -179 | 0 | 0 | 0 | 0 | 112.3 | E156 Y158 K164 | E156-S160 WeakPolarHBondContact O-CB 3.23Å; E156-S160 PolarHBondContact O-N 3.23Å; Y158-S160 PolarHBondContact O-N 2.93Å; S160-K164 WeakPolarHBondContact O-CB 3.33Å; S160-K164 PolarHBondContact O-N 3.25Å; S160-K164 VanDerWaalsContact O-N 3.08Å |
| 161 | T | 98.2 | Very high | 98.3 | Very high | 93 Ų | 93 | 94.5 Ų | 94.5 | 57% | 0.571 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.3 | -45.4 | 179.4 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | Q157 Y158 I159 K164 S165 | Q157-T161 WeakPolarHBondContact O-CB 3.35Å; Q157-T161 PolarHBondContact O-N 3.36Å; Q157-T161 PolarHBondContact O-OG1 3.49Å; Y158-T161 PolarHBondContact O-N 3.08Å; I159-T161 VanDerWaalsContact C-N 3.32Å; I159-T161 PolarHBondContact O-N 3.05Å; T161-K164 PolarHBondContact O-N 3.49Å; T161-S165 PolarHBondContact O-N 2.88Å |
| 162 | F | 98.4 | Very high | 98.3 | Very high | 125 Ų | 125 | 99.5 Ų | 99.5 | 55% | 0.548 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68 | -42.8 | 179.5 | -78.3 | -65.3 | 0 | 0 | 0 | 112.3 | Y158 I159 K164 S165 D166 | Y158-F162 HydrophobicContact CD1-CD2 4.48Å; Y158-F162 AromaticContact CD1-CE2 3.81Å; Y158-F162 HydrophobicContact CD1-CE2 3.81Å; Y158-F162 WeakPolarHBondContact O-CD2 3.45Å; Y158-F162 PolarHBondContact O-N 3.03Å; I159-F162 PolarHBondContact O-N 3.35Å; F162-K164 VanDerWaalsContact C-N 3.29Å; F162-K164 PolarHBondContact O-N 3.45Å; F162-S165 WeakPolarHBondContact O-CB 3.04Å; F162-S165 PolarHBondContact O-N 3.13Å; F162-S165 VanDerWaalsContact O-N 3.13Å; F162-D166 PolarHBondContact O-N 2.98Å |
| 163 | Q | 98.6 | Very high | 98.3 | Very high | 119 Ų | 119 | 99.3 Ų | 99.3 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.2 | -42.6 | 175.1 | -74.8 | 176.3 | -20.8 | 0 | 0 | 112 | I159 D166 M167 | I159-Q163 HydrophobicContact CG2-CG 4.41Å; I159-Q163 WeakPolarHBondContact O-CB 3.44Å; I159-Q163 VanDerWaalsContact O-CG 3.31Å; I159-Q163 WeakPolarHBondContact O-CG 3.46Å; I159-Q163 PolarHBondContact O-N 3.5Å; Q163-D166 PolarHBondContact O-N 3.34Å; Q163-M167 WeakPolarHBondContact O-CG 3.37Å; Q163-M167 PolarHBondContact O-N 2.88Å; Q163-M167 VanDerWaalsContact O-N 3.08Å |
| 164 | K | 98.5 | Very high | 98.4 | Very high | 127 Ų | 127 | 100.1 Ų | 100.1 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.1 | -43.8 | 175.4 | -178.4 | 176.6 | 179.9 | -62.6 | 0 | 111.8 | S160 T161 F162 D166 M167 D168 | S160-K164 WeakPolarHBondContact O-CB 3.33Å; S160-K164 PolarHBondContact O-N 3.25Å; S160-K164 VanDerWaalsContact O-N 3.08Å; T161-K164 PolarHBondContact O-N 3.49Å; F162-K164 VanDerWaalsContact C-N 3.29Å; F162-K164 PolarHBondContact O-N 3.45Å; K164-D166 VanDerWaalsContact C-N 3.35Å; K164-D166 PolarHBondContact O-N 3.42Å; K164-M167 PolarHBondContact O-N 2.83Å; K164-D168 IonicContact NZ-OD2 2.88Å; K164-D168 PolarHBondContact NZ-OD2 3.25Å; K164-D168 WeakPolarHBondContact O-CB 3.39Å; K164-D168 VanDerWaalsContact O-CG 3.24Å; K164-D168 PolarHBondContact O-N 3.08Å |
| 165 | S | 98.6 | Very high | 98.4 | Very high | 57 Ų | 57 | 102.9 Ų | 102.9 | 40% | 0.399 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 176.7 | -174.5 | 0 | 0 | 0 | 0 | 111.9 | T161 F162 M167 D168 V169 | T161-S165 PolarHBondContact O-N 2.88Å; F162-S165 WeakPolarHBondContact O-CB 3.04Å; F162-S165 PolarHBondContact O-N 3.13Å; F162-S165 VanDerWaalsContact O-N 3.13Å; S165-M167 PolarHBondContact O-N 2.78Å; S165-D168 PolarHBondContact O-N 2.98Å; S165-V169 WeakPolarHBondContact O-CG2 3.18Å; S165-V169 PolarHBondContact O-N 3.05Å |
| 166 | D | 98.6 | Very high | 98.4 | Very high | 98 Ų | 98 | 105.9 Ų | 105.9 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 179.3 | -71.2 | -20.2 | 0 | 0 | 0 | 111.6 | F162 Q163 K164 V169 Q170 | F162-D166 PolarHBondContact O-N 2.98Å; Q163-D166 PolarHBondContact O-N 3.34Å; K164-D166 VanDerWaalsContact C-N 3.35Å; K164-D166 PolarHBondContact O-N 3.42Å; D166-V169 PolarHBondContact O-N 3.43Å; D166-Q170 WeakPolarHBondContact O-CG 3.46Å; D166-Q170 PolarHBondContact O-N 3.06Å |
| 167 | M | 98.5 | Very high | 98.4 | Very high | 101 Ų | 101 | 105.4 Ų | 105.4 | 50% | 0.498 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 173.7 | -73.6 | 177.7 | 57.8 | 0 | 0 | 112.4 | Q163 K164 S165 V169 Q170 K171 | Q163-M167 WeakPolarHBondContact O-CG 3.37Å; Q163-M167 PolarHBondContact O-N 2.88Å; Q163-M167 VanDerWaalsContact O-N 3.08Å; K164-M167 PolarHBondContact O-N 2.83Å; S165-M167 PolarHBondContact O-N 2.78Å; M167-V169 VanDerWaalsContact C-N 3.32Å; M167-V169 PolarHBondContact O-N 3.41Å; M167-Q170 PolarHBondContact O-N 3.11Å; M167-K171 WeakPolarHBondContact O-CG 3.16Å; M167-K171 PolarHBondContact O-N 3.38Å |
| 168 | D | 98.5 | Very high | 98.4 | Very high | 73 Ų | 73 | 107.3 Ų | 107.3 | 39% | 0.39 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 178.6 | -71.5 | -21 | 0 | 0 | 0 | 110.5 | K164 S165 F172 | K164-D168 IonicContact NZ-OD2 2.88Å; K164-D168 PolarHBondContact NZ-OD2 3.25Å; K164-D168 WeakPolarHBondContact O-CB 3.39Å; K164-D168 VanDerWaalsContact O-CG 3.24Å; K164-D168 PolarHBondContact O-N 3.08Å; S165-D168 PolarHBondContact O-N 2.98Å; D168-F172 WeakPolarHBondContact O-CB 3.41Å; D168-F172 PolarHBondContact O-N 3.05Å |
| 169 | V | 98.7 | Very high | 98.5 | Very high | 75 Ų | 75 | 106 Ų | 106 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 174.1 | 169.8 | 0 | 0 | 0 | 0 | 112.4 | S165 D166 M167 F172 N173 | S165-V169 WeakPolarHBondContact O-CG2 3.18Å; S165-V169 PolarHBondContact O-N 3.05Å; D166-V169 PolarHBondContact O-N 3.43Å; M167-V169 VanDerWaalsContact C-N 3.32Å; M167-V169 PolarHBondContact O-N 3.41Å; V169-F172 PolarHBondContact O-N 3.35Å; V169-N173 PolarHBondContact O-N 2.96Å; V169-N173 PolarHBondContact O-ND2 3.03Å |
| 170 | Q | 98.6 | Very high | 98.5 | Very high | 123 Ų | 123 | 105.3 Ų | 105.3 | 58% | 0.575 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61 | -49.8 | 176.6 | -74.9 | 176.5 | 0.1 | 0 | 0 | 111.2 | D166 M167 F172 N173 E174 | D166-Q170 WeakPolarHBondContact O-CG 3.46Å; D166-Q170 PolarHBondContact O-N 3.06Å; M167-Q170 PolarHBondContact O-N 3.11Å; Q170-F172 VanDerWaalsContact C-N 3.33Å; Q170-F172 PolarHBondContact O-N 2.95Å; Q170-N173 PolarHBondContact O-N 3.17Å; Q170-N173 VanDerWaalsContact O-N 3.11Å; Q170-E174 PolarHBondContact O-N 3.49Å; Q170-E174 VanDerWaalsContact O-N 3.08Å |
| 171 | K | 98.6 | Very high | 98.5 | Very high | 120 Ų | 120 | 105.2 Ų | 105.2 | 52% | 0.522 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.1 | -44 | 176.7 | -73.2 | 177.5 | -179.7 | 178 | 0 | 112.6 | M167 N173 E174 E175 | M167-K171 WeakPolarHBondContact O-CG 3.16Å; M167-K171 PolarHBondContact O-N 3.38Å; K171-N173 VanDerWaalsContact C-N 3.29Å; K171-N173 PolarHBondContact O-N 3.37Å; K171-E174 PolarHBondContact O-N 3.31Å; K171-E175 PolarHBondContact O-N 3.3Å |
| 172 | F | 98.5 | Very high | 98.5 | Very high | 129 Ų | 129 | 104.2 Ų | 104.2 | 57% | 0.566 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.9 | -40.6 | 177 | 175.5 | -99.8 | 0 | 0 | 0 | 111.9 | D168 V169 Q170 E175 K176 | D168-F172 WeakPolarHBondContact O-CB 3.41Å; D168-F172 PolarHBondContact O-N 3.05Å; V169-F172 PolarHBondContact O-N 3.35Å; Q170-F172 VanDerWaalsContact C-N 3.33Å; Q170-F172 PolarHBondContact O-N 2.95Å; F172-E175 PolarHBondContact O-N 3.42Å; F172-K176 HydrophobicContact CE1-CD 4.36Å; F172-K176 VanDerWaalsContact O-CB 3.23Å; F172-K176 WeakPolarHBondContact O-CB 3.49Å; F172-K176 PolarHBondContact O-N 3.4Å |
| 173 | N | 98.7 | Very high | 98.5 | Very high | 68 Ų | 68 | 102 Ų | 102 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68 | -38.7 | 178.7 | -80.4 | -41.9 | 0 | 0 | 0 | 112.9 | V169 Q170 K171 K176 E177 | V169-N173 PolarHBondContact O-N 2.96Å; V169-N173 PolarHBondContact O-ND2 3.03Å; Q170-N173 PolarHBondContact O-N 3.17Å; Q170-N173 VanDerWaalsContact O-N 3.11Å; K171-N173 VanDerWaalsContact C-N 3.29Å; K171-N173 PolarHBondContact O-N 3.37Å; N173-K176 PolarHBondContact O-N 2.93Å; N173-K176 PolarHBondContact OD1-NZ 3.48Å; N173-E177 WeakPolarHBondContact O-CB 3.46Å; N173-E177 PolarHBondContact O-N 2.92Å |
| 174 | E | 98.5 | Very high | 98.5 | Very high | 134 Ų | 134 | 101.2 Ų | 101.2 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.1 | -45.7 | 174.5 | -69.1 | 173.1 | -172.8 | 0 | 0 | 111.7 | Q170 K171 E177 K178 | Q170-E174 PolarHBondContact O-N 3.49Å; Q170-E174 VanDerWaalsContact O-N 3.08Å; K171-E174 PolarHBondContact O-N 3.31Å; E174-E177 PolarHBondContact O-N 2.95Å; E174-K178 PolarHBondContact O-N 3.12Å |
| 175 | E | 98.4 | Very high | 98.5 | Very high | 140 Ų | 140 | 102.4 Ų | 102.4 | 65% | 0.654 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65 | -42.1 | 177.5 | -174.4 | 174.7 | -168.3 | 0 | 0 | 111.7 | K171 F172 E177 K178 S179 | K171-E175 PolarHBondContact O-N 3.3Å; F172-E175 PolarHBondContact O-N 3.42Å; E175-E177 PolarHBondContact O-N 3.49Å; E175-K178 PolarHBondContact O-N 3.23Å; E175-S179 PolarHBondContact O-N 2.99Å |
| 176 | K | 98.4 | Very high | 98.4 | Very high | 106 Ų | 106 | 106.2 Ų | 106.2 | 46% | 0.461 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.5 | -46.7 | 174.9 | -176.5 | -168.6 | 73.8 | -174.5 | 0 | 111.2 | F172 N173 K178 S179 V180 | F172-K176 HydrophobicContact CE1-CD 4.36Å; F172-K176 VanDerWaalsContact O-CB 3.23Å; F172-K176 WeakPolarHBondContact O-CB 3.49Å; F172-K176 PolarHBondContact O-N 3.4Å; N173-K176 PolarHBondContact O-N 2.93Å; N173-K176 PolarHBondContact OD1-NZ 3.48Å; K176-K178 PolarHBondContact O-N 2.95Å; K176-S179 PolarHBondContact O-N 3.42Å; K176-V180 VanDerWaalsContact O-CG2 3.31Å; K176-V180 WeakPolarHBondContact O-CG2 3.23Å; K176-V180 PolarHBondContact O-N 3.41Å |
| 177 | E | 98.6 | Very high | 98.4 | Very high | 124 Ų | 124 | 106.6 Ų | 106.6 | 58% | 0.579 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.4 | -44 | 178.2 | -175.8 | 178.3 | 178 | 0 | 0 | 111.7 | N173 E174 E175 S179 V180 N181 | N173-E177 WeakPolarHBondContact O-CB 3.46Å; N173-E177 PolarHBondContact O-N 2.92Å; E174-E177 PolarHBondContact O-N 2.95Å; E175-E177 PolarHBondContact O-N 3.49Å; E177-S179 VanDerWaalsContact C-N 3.32Å; E177-S179 PolarHBondContact O-N 2.83Å; E177-V180 PolarHBondContact O-N 2.82Å; E177-N181 WeakPolarHBondContact O-CB 3.41Å; E177-N181 PolarHBondContact O-N 3.32Å; E177-N181 PolarHBondContact O-ND2 3.43Å |
| 178 | K | 98.4 | Very high | 98.4 | Very high | 161 Ų | 161 | 107 Ų | 107 | 70% | 0.7 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59 | -43.5 | 175.3 | -174.2 | -179.4 | 178.4 | -176.5 | 0 | 112.1 | E174 E175 K176 N181 S182 | E174-K178 PolarHBondContact O-N 3.12Å; E175-K178 PolarHBondContact O-N 3.23Å; K176-K178 PolarHBondContact O-N 2.95Å; K178-N181 PolarHBondContact O-N 3.19Å; K178-S182 PolarHBondContact O-N 2.91Å |
| 179 | S | 98.1 | Very high | 98.4 | Very high | 79 Ų | 79 | 106.3 Ų | 106.3 | 55% | 0.552 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.3 | -45.3 | 177.7 | -176.2 | 0 | 0 | 0 | 0 | 112 | E175 K176 E177 N181 S182 C183 | E175-S179 PolarHBondContact O-N 2.99Å; K176-S179 PolarHBondContact O-N 3.42Å; E177-S179 VanDerWaalsContact C-N 3.32Å; E177-S179 PolarHBondContact O-N 2.83Å; S179-N181 VanDerWaalsContact C-N 3.34Å; S179-N181 PolarHBondContact O-N 3.19Å; S179-S182 PolarHBondContact O-N 3.26Å; S179-C183 WeakPolarHBondContact O-CB 3.31Å; S179-C183 PolarHBondContact O-N 3.44Å |
| 180 | V | 98.6 | Very high | 98.4 | Very high | 84 Ų | 84 | 107.1 Ų | 107.1 | 51% | 0.509 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.3 | -46.2 | 175.8 | 169.5 | 0 | 0 | 0 | 0 | 111 | K176 E177 S182 C183 Q184 | K176-V180 VanDerWaalsContact O-CG2 3.31Å; K176-V180 WeakPolarHBondContact O-CG2 3.23Å; K176-V180 PolarHBondContact O-N 3.41Å; E177-V180 PolarHBondContact O-N 2.82Å; V180-S182 VanDerWaalsContact C-N 3.34Å; V180-S182 PolarHBondContact O-N 2.93Å; V180-C183 PolarHBondContact O-N 3.34Å; V180-Q184 PolarHBondContact O-N 3.49Å |
| 181 | N | 98.4 | Very high | 98.4 | Very high | 74 Ų | 74 | 107.5 Ų | 107.5 | 40% | 0.396 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 177.7 | -74.7 | -32 | 0 | 0 | 0 | 112.6 | E177 K178 S179 K185 | E177-N181 WeakPolarHBondContact O-CB 3.41Å; E177-N181 PolarHBondContact O-N 3.32Å; E177-N181 PolarHBondContact O-ND2 3.43Å; K178-N181 PolarHBondContact O-N 3.19Å; S179-N181 VanDerWaalsContact C-N 3.34Å; S179-N181 PolarHBondContact O-N 3.19Å; N181-K185 WeakPolarHBondContact O-CG 3.39Å; N181-K185 PolarHBondContact O-N 3.02Å |
| 182 | S | 98.3 | Very high | 98.4 | Very high | 71 Ų | 71 | 107.9 Ų | 107.9 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 175.6 | -167.6 | 0 | 0 | 0 | 0 | 111.7 | K178 S179 V180 Q184 K185 E186 | K178-S182 PolarHBondContact O-N 2.91Å; S179-S182 PolarHBondContact O-N 3.26Å; V180-S182 VanDerWaalsContact C-N 3.34Å; V180-S182 PolarHBondContact O-N 2.93Å; S182-Q184 VanDerWaalsContact C-N 3.3Å; S182-Q184 PolarHBondContact O-N 2.94Å; S182-K185 WeakPolarHBondContact O-CB 3.5Å; S182-K185 PolarHBondContact O-N 3.49Å; S182-E186 PolarHBondContact O-N 2.86Å |
| 183 | C | 98.2 | Very high | 98.3 | Very high | 80 Ų | 80 | 105.2 Ų | 105.2 | 54% | 0.541 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.6 | -40.8 | 177.8 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | S179 V180 K185 E186 Q187 | S179-C183 WeakPolarHBondContact O-CB 3.31Å; S179-C183 PolarHBondContact O-N 3.44Å; V180-C183 PolarHBondContact O-N 3.34Å; C183-K185 PolarHBondContact O-N 3.08Å; C183-E186 PolarHBondContact O-N 3.32Å; C183-Q187 WeakPolarHBondContact O-CB 3.44Å; C183-Q187 PolarHBondContact O-N 3.23Å |
| 184 | Q | 98.6 | Very high | 98.3 | Very high | 101 Ų | 101 | 107.4 Ų | 107.4 | 47% | 0.472 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 176.2 | -175.1 | 177.7 | -9.6 | 0 | 0 | 112.2 | V180 S182 Q187 Q188 | V180-Q184 PolarHBondContact O-N 3.49Å; S182-Q184 VanDerWaalsContact C-N 3.3Å; S182-Q184 PolarHBondContact O-N 2.94Å; Q184-Q187 PolarHBondContact O-N 2.96Å; Q184-Q188 WeakPolarHBondContact O-CG 3.35Å; Q184-Q188 PolarHBondContact O-N 3.18Å; Q184-Q188 VanDerWaalsContact O-N 3.08Å |
| 185 | K | 98.4 | Very high | 98.3 | Very high | 152 Ų | 152 | 104.2 Ų | 104.2 | 66% | 0.661 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 175.5 | -72.1 | 176 | -178.6 | -179.8 | 0 | 111.5 | N181 S182 C183 Q187 Q188 A189 | N181-K185 WeakPolarHBondContact O-CG 3.39Å; N181-K185 PolarHBondContact O-N 3.02Å; S182-K185 WeakPolarHBondContact O-CB 3.5Å; S182-K185 PolarHBondContact O-N 3.49Å; C183-K185 PolarHBondContact O-N 3.08Å; K185-Q187 VanDerWaalsContact C-N 3.34Å; K185-Q187 PolarHBondContact O-N 3.39Å; K185-Q188 PolarHBondContact O-N 3.38Å; K185-A189 PolarHBondContact O-N 2.96Å |
| 186 | E | 97.8 | Very high | 98.3 | Very high | 137 Ų | 137 | 100.6 Ų | 100.6 | 64% | 0.64 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.8 | -41.7 | 177.2 | -172.1 | 176.9 | 174.9 | 0 | 0 | 111.5 | S182 C183 Q188 A189 L190 | S182-E186 PolarHBondContact O-N 2.86Å; C183-E186 PolarHBondContact O-N 3.32Å; E186-Q188 VanDerWaalsContact C-N 3.3Å; E186-Q188 PolarHBondContact O-N 3.1Å; E186-A189 PolarHBondContact O-N 3.15Å; E186-L190 WeakPolarHBondContact O-CB 3.38Å; E186-L190 PolarHBondContact O-N 3.46Å |
| 187 | Q | 98.5 | Very high | 98.2 | Very high | 107 Ų | 107 | 101.7 Ų | 101.7 | 50% | 0.5 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.5 | -39.5 | 175.5 | -168.5 | -171.6 | 61.4 | 0 | 0 | 111.9 | C183 Q184 K185 K191 | C183-Q187 WeakPolarHBondContact O-CB 3.44Å; C183-Q187 PolarHBondContact O-N 3.23Å; Q184-Q187 PolarHBondContact O-N 2.96Å; K185-Q187 VanDerWaalsContact C-N 3.34Å; K185-Q187 PolarHBondContact O-N 3.39Å; Q187-K191 WeakPolarHBondContact O-CG 3.43Å; Q187-K191 PolarHBondContact O-N 3.25Å; Q187-K191 VanDerWaalsContact O-N 3.15Å |
| 188 | Q | 98.5 | Very high | 98.2 | Very high | 108 Ų | 108 | 100.7 Ų | 100.7 | 51% | 0.505 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67 | -46.1 | 175.4 | -72.1 | 177.8 | -5.6 | 0 | 0 | 111.8 | Q184 K185 E186 L190 K191 L192 | Q184-Q188 WeakPolarHBondContact O-CG 3.35Å; Q184-Q188 PolarHBondContact O-N 3.18Å; Q184-Q188 VanDerWaalsContact O-N 3.08Å; K185-Q188 PolarHBondContact O-N 3.38Å; E186-Q188 VanDerWaalsContact C-N 3.3Å; E186-Q188 PolarHBondContact O-N 3.1Å; Q188-L190 VanDerWaalsContact C-N 3.32Å; Q188-L190 PolarHBondContact O-N 3.23Å; Q188-K191 PolarHBondContact O-N 3.41Å; Q188-L192 PolarHBondContact O-N 3.36Å; Q188-L192 VanDerWaalsContact O-N 3.1Å |
| 189 | A | 98.2 | Very high | 98.2 | Very high | 59 Ų | 59 | 98.7 Ų | 98.7 | 49% | 0.488 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K185 E186 K191 L192 S193 | K185-A189 PolarHBondContact O-N 2.96Å; E186-A189 PolarHBondContact O-N 3.15Å; A189-K191 PolarHBondContact O-N 2.87Å; A189-L192 PolarHBondContact O-N 3.44Å; A189-S193 WeakPolarHBondContact O-CB 3.5Å; A189-S193 PolarHBondContact O-N 2.93Å |
| 190 | L | 98.3 | Very high | 98.2 | Very high | 93 Ų | 93 | 98.9 Ų | 98.9 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 177.4 | -177.5 | 62.7 | 0 | 0 | 0 | 112.2 | E186 Q188 S193 K194 | E186-L190 WeakPolarHBondContact O-CB 3.38Å; E186-L190 PolarHBondContact O-N 3.46Å; Q188-L190 VanDerWaalsContact C-N 3.32Å; Q188-L190 PolarHBondContact O-N 3.23Å; L190-S193 PolarHBondContact O-N 3.22Å; L190-K194 HydrophobicContact CG-CD 4.49Å; L190-K194 WeakPolarHBondContact O-CG 3.37Å; L190-K194 PolarHBondContact O-N 3.49Å |
| 191 | K | 98.3 | Very high | 98.2 | Very high | 130 Ų | 130 | 99.2 Ų | 99.2 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.6 | -45.4 | 175.7 | -76 | 173 | 179.7 | 174.7 | 0 | 111.5 | Q187 Q188 A189 K194 C195 | Q187-K191 WeakPolarHBondContact O-CG 3.43Å; Q187-K191 PolarHBondContact O-N 3.25Å; Q187-K191 VanDerWaalsContact O-N 3.15Å; Q188-K191 PolarHBondContact O-N 3.41Å; A189-K191 PolarHBondContact O-N 2.87Å; K191-K194 PolarHBondContact O-N 3.3Å; K191-C195 PolarHBondContact O-N 3.09Å; K191-C195 VanDerWaalsContact O-N 3.09Å |
| 192 | L | 98.1 | Very high | 98.1 | Very high | 128 Ų | 128 | 102.2 Ų | 102.2 | 67% | 0.67 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.3 | -45.6 | 177.8 | -70.1 | 174 | 0 | 0 | 0 | 111.9 | Q188 A189 K194 C195 S196 | Q188-L192 PolarHBondContact O-N 3.36Å; Q188-L192 VanDerWaalsContact O-N 3.1Å; A189-L192 PolarHBondContact O-N 3.44Å; L192-K194 VanDerWaalsContact C-N 3.35Å; L192-K194 PolarHBondContact O-N 3.01Å; L192-C195 WeakPolarHBondContact O-CB 3.45Å; L192-C195 PolarHBondContact O-N 3.38Å; L192-S196 PolarHBondContact O-N 2.94Å |
| 193 | S | 98.1 | Very high | 98.1 | Very high | 73 Ų | 73 | 101.1 Ų | 101.1 | 51% | 0.51 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 177.5 | 176.6 | 0 | 0 | 0 | 0 | 112.2 | A189 L190 C195 S196 Q197 | A189-S193 WeakPolarHBondContact O-CB 3.5Å; A189-S193 PolarHBondContact O-N 2.93Å; L190-S193 PolarHBondContact O-N 3.22Å; S193-C195 PolarHBondContact O-N 3.04Å; S193-S196 PolarHBondContact O-N 3.48Å; S193-Q197 WeakPolarHBondContact O-CB 3.5Å; S193-Q197 PolarHBondContact O-N 3.42Å |
| 194 | K | 98.3 | Very high | 98.1 | Very high | 115 Ų | 115 | 100.9 Ų | 100.9 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 176.6 | -75.4 | 179.9 | 179.3 | -176.7 | 0 | 112.3 | L190 K191 L192 Q197 N198 | L190-K194 HydrophobicContact CG-CD 4.49Å; L190-K194 WeakPolarHBondContact O-CG 3.37Å; L190-K194 PolarHBondContact O-N 3.49Å; K191-K194 PolarHBondContact O-N 3.3Å; L192-K194 VanDerWaalsContact C-N 3.35Å; L192-K194 PolarHBondContact O-N 3.01Å; K194-Q197 PolarHBondContact O-N 3.49Å; K194-N198 WeakPolarHBondContact O-CB 3.47Å; K194-N198 VanDerWaalsContact O-CG 3.26Å; K194-N198 PolarHBondContact O-N 3.46Å; K194-N198 PolarHBondContact O-ND2 3.24Å |
| 195 | C | 98.2 | Very high | 98 | Very high | 66 Ų | 66 | 102.2 Ų | 102.2 | 45% | 0.446 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61 | -48.7 | 176.8 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | K191 L192 S193 Q197 N198 Q199 | K191-C195 PolarHBondContact O-N 3.09Å; K191-C195 VanDerWaalsContact O-N 3.09Å; L192-C195 WeakPolarHBondContact O-CB 3.45Å; L192-C195 PolarHBondContact O-N 3.38Å; S193-C195 PolarHBondContact O-N 3.04Å; C195-Q197 PolarHBondContact O-N 3.26Å; C195-N198 PolarHBondContact O-N 3.46Å; C195-Q199 WeakPolarHBondContact O-CG 3.49Å; C195-Q199 PolarHBondContact O-N 2.93Å |
| 196 | S | 97.5 | Very high | 98 | Very high | 64 Ų | 64 | 99.8 Ų | 99.8 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 178 | 176.4 | 0 | 0 | 0 | 0 | 112.8 | L192 S193 Q199 T200 | L192-S196 PolarHBondContact O-N 2.94Å; S193-S196 PolarHBondContact O-N 3.48Å; S196-Q199 PolarHBondContact O-N 3.02Å; S196-T200 PolarHBondContact O-N 3.38Å; S196-T200 PolarHBondContact O-OG1 3.04Å |
| 197 | Q | 97.9 | Very high | 98 | Very high | 130 Ų | 130 | 99.1 Ų | 99.1 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.5 | -43.6 | 175.6 | -173.3 | 179.9 | 18.9 | 0 | 0 | 111.8 | S193 K194 C195 Q199 T200 L201 | S193-Q197 WeakPolarHBondContact O-CB 3.5Å; S193-Q197 PolarHBondContact O-N 3.42Å; K194-Q197 PolarHBondContact O-N 3.49Å; C195-Q197 PolarHBondContact O-N 3.26Å; Q197-Q199 PolarHBondContact O-N 3.31Å; Q197-T200 PolarHBondContact O-N 3.47Å; Q197-L201 WeakPolarHBondContact O-CB 3.41Å; Q197-L201 PolarHBondContact O-N 3Å |
| 198 | N | 98.3 | Very high | 97.9 | Very high | 103 Ų | 103 | 99.8 Ų | 99.8 | 55% | 0.551 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.5 | -42.4 | 178 | -74 | -16.1 | 0 | 0 | 0 | 111.8 | K194 C195 T200 L201 E202 | K194-N198 WeakPolarHBondContact O-CB 3.47Å; K194-N198 VanDerWaalsContact O-CG 3.26Å; K194-N198 PolarHBondContact O-N 3.46Å; K194-N198 PolarHBondContact O-ND2 3.24Å; C195-N198 PolarHBondContact O-N 3.46Å; N198-T200 VanDerWaalsContact C-N 3.33Å; N198-T200 PolarHBondContact O-N 2.9Å; N198-L201 PolarHBondContact O-N 2.99Å; N198-E202 WeakPolarHBondContact O-CB 3.45Å; N198-E202 PolarHBondContact O-N 3.44Å |
| 199 | Q | 97.7 | Very high | 97.8 | Very high | 119 Ų | 119 | 101.2 Ų | 101.2 | 56% | 0.556 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.3 | -41.7 | 174.7 | -71.9 | 173.5 | -21.9 | 0 | 0 | 111.9 | C195 S196 Q197 L201 E202 A203 | C195-Q199 WeakPolarHBondContact O-CG 3.49Å; C195-Q199 PolarHBondContact O-N 2.93Å; S196-Q199 PolarHBondContact O-N 3.02Å; Q197-Q199 PolarHBondContact O-N 3.31Å; Q199-L201 VanDerWaalsContact C-N 3.35Å; Q199-E202 PolarHBondContact O-N 2.95Å; Q199-A203 PolarHBondContact O-N 3.3Å |
| 200 | T | 97.9 | Very high | 97.7 | Very high | 83 Ų | 83 | 103.6 Ų | 103.6 | 51% | 0.509 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 177.9 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | S196 Q197 N198 E202 A203 V204 | S196-T200 PolarHBondContact O-N 3.38Å; S196-T200 PolarHBondContact O-OG1 3.04Å; Q197-T200 PolarHBondContact O-N 3.47Å; N198-T200 VanDerWaalsContact C-N 3.33Å; N198-T200 PolarHBondContact O-N 2.9Å; T200-E202 VanDerWaalsContact C-N 3.33Å; T200-E202 PolarHBondContact O-N 3.02Å; T200-A203 PolarHBondContact O-N 3.36Å; T200-V204 WeakPolarHBondContact O-CG2 3.49Å; T200-V204 PolarHBondContact O-N 3.18Å |
| 201 | L | 97.8 | Very high | 97.6 | Very high | 90 Ų | 90 | 102.3 Ų | 102.3 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 176.7 | 179.4 | 62.9 | 0 | 0 | 0 | 111.9 | Q197 N198 Q199 V204 K205 | Q197-L201 WeakPolarHBondContact O-CB 3.41Å; Q197-L201 PolarHBondContact O-N 3Å; N198-L201 PolarHBondContact O-N 2.99Å; Q199-L201 VanDerWaalsContact C-N 3.35Å; L201-V204 PolarHBondContact O-N 3.48Å; L201-K205 WeakPolarHBondContact O-CG 3.44Å; L201-K205 PolarHBondContact O-N 3.42Å |
| 202 | E | 98.1 | Very high | 97.4 | Very high | 137 Ų | 137 | 99.7 Ų | 99.7 | 64% | 0.64 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.6 | -45.9 | 175.9 | -171.4 | 170.3 | -165 | 0 | 0 | 111.5 | N198 Q199 T200 V204 K205 E206 | N198-E202 WeakPolarHBondContact O-CB 3.45Å; N198-E202 PolarHBondContact O-N 3.44Å; Q199-E202 PolarHBondContact O-N 2.95Å; T200-E202 VanDerWaalsContact C-N 3.33Å; T200-E202 PolarHBondContact O-N 3.02Å; E202-V204 VanDerWaalsContact C-N 3.34Å; E202-V204 PolarHBondContact O-N 2.99Å; E202-K205 WeakPolarHBondContact O-CB 3.39Å; E202-K205 PolarHBondContact O-N 3.39Å; E202-E206 PolarHBondContact O-N 3.04Å |
| 203 | A | 97.6 | Very high | 97.3 | Very high | 48 Ų | 48 | 99 Ų | 99 | 40% | 0.397 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q199 T200 E206 M207 | Q199-A203 PolarHBondContact O-N 3.3Å; T200-A203 PolarHBondContact O-N 3.36Å; A203-E206 PolarHBondContact O-N 3.35Å; A203-M207 WeakPolarHBondContact O-CG 3.36Å; A203-M207 PolarHBondContact O-N 2.98Å |
| 204 | V | 97.8 | Very high | 97.1 | Very high | 76 Ų | 76 | 99.7 Ų | 99.7 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 175.7 | 171 | 0 | 0 | 0 | 0 | 111.4 | T200 L201 E202 M207 H208 | T200-V204 WeakPolarHBondContact O-CG2 3.49Å; T200-V204 PolarHBondContact O-N 3.18Å; L201-V204 PolarHBondContact O-N 3.48Å; E202-V204 VanDerWaalsContact C-N 3.34Å; E202-V204 PolarHBondContact O-N 2.99Å; V204-M207 HydrophobicContact CG2-CE 4.22Å; V204-M207 PolarHBondContact O-N 2.92Å; V204-H208 PolarHBondContact O-N 3.47Å |
| 205 | K | 97.7 | Very high | 96.8 | Very high | 129 Ų | 129 | 99.1 Ų | 99.1 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.9 | -45.7 | 176.1 | -75 | 175.4 | 178.2 | -178.8 | 0 | 111.4 | L201 E202 M207 H208 E209 | L201-K205 WeakPolarHBondContact O-CG 3.44Å; L201-K205 PolarHBondContact O-N 3.42Å; E202-K205 WeakPolarHBondContact O-CB 3.39Å; E202-K205 PolarHBondContact O-N 3.39Å; K205-M207 PolarHBondContact O-N 3.21Å; K205-H208 WeakPolarHBondContact O-CB 3.24Å; K205-H208 PolarHBondContact O-N 2.63Å; K205-E209 PolarHBondContact O-N 3.36Å |
| 206 | E | 97.7 | Very high | 96.5 | Very high | 101 Ų | 101 | 102 Ų | 102 | 47% | 0.472 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 177.7 | -169.4 | -168.6 | 159.8 | 0 | 0 | 111.6 | E202 A203 H208 E209 K210 | E202-E206 PolarHBondContact O-N 3.04Å; A203-E206 PolarHBondContact O-N 3.35Å; E206-H208 VanDerWaalsContact C-N 3.35Å; E206-H208 PolarHBondContact O-N 3.47Å; E206-E209 PolarHBondContact O-N 3.01Å; E206-K210 WeakPolarHBondContact O-CG 3.41Å; E206-K210 PolarHBondContact O-N 3.36Å; E206-K210 VanDerWaalsContact OE1-CE 3.24Å; E206-K210 WeakPolarHBondContact OE1-CE 3.41Å; E206-K210 IonicContact OE1-NZ 2.63Å; E206-K210 PolarHBondContact OE1-NZ 3.47Å |
| 207 | M | 97.1 | Very high | 96.2 | Very high | 123 Ų | 123 | 102.8 Ų | 102.8 | 61% | 0.606 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.6 | -41.7 | 174.8 | -74.9 | -166.9 | -66.4 | 0 | 0 | 112.5 | A203 V204 K205 K210 S211 | A203-M207 WeakPolarHBondContact O-CG 3.36Å; A203-M207 PolarHBondContact O-N 2.98Å; V204-M207 HydrophobicContact CG2-CE 4.22Å; V204-M207 PolarHBondContact O-N 2.92Å; K205-M207 PolarHBondContact O-N 3.21Å; M207-K210 PolarHBondContact O-N 2.97Å; M207-S211 PolarHBondContact O-N 2.97Å |
| 208 | H | 97.2 | Very high | 95.7 | Very high | 120 Ų | 120 | 101.6 Ų | 101.6 | 56% | 0.556 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.5 | -44.6 | 176.8 | 173.4 | -91.7 | 0 | 0 | 0 | 111.6 | V204 K205 E206 K210 S211 M212 | V204-H208 PolarHBondContact O-N 3.47Å; K205-H208 WeakPolarHBondContact O-CB 3.24Å; K205-H208 PolarHBondContact O-N 2.63Å; E206-H208 VanDerWaalsContact C-N 3.35Å; E206-H208 PolarHBondContact O-N 3.47Å; H208-K210 PolarHBondContact O-N 3.07Å; H208-S211 WeakPolarHBondContact O-CB 3.49Å; H208-S211 PolarHBondContact O-N 3.43Å; H208-S211 VanDerWaalsContact O-N 3.15Å; H208-M212 WeakPolarHBondContact O-CG 3.38Å; H208-M212 PolarHBondContact O-N 3.17Å |
| 209 | E | 96.6 | Very high | 95 | Very high | 138 Ų | 138 | 99.3 Ų | 99.3 | 65% | 0.645 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.2 | -46.8 | 177.1 | -172.8 | 167.3 | -163.2 | 0 | 0 | 111.6 | K205 E206 S211 M212 E213 | K205-E209 PolarHBondContact O-N 3.36Å; E206-E209 PolarHBondContact O-N 3.01Å; E209-S211 VanDerWaalsContact C-N 3.32Å; E209-S211 PolarHBondContact O-N 3.42Å; E209-M212 PolarHBondContact O-N 2.92Å; E209-E213 PolarHBondContact O-N 3.48Å |
| 210 | K | 96.1 | Very high | 94.2 | Very high | 110 Ų | 110 | 98.7 Ų | 98.7 | 48% | 0.478 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.6 | -41.4 | 173.2 | -72 | 174.9 | -175.2 | 168.2 | 0 | 112.5 | E206 M207 H208 E213 V214 | E206-K210 WeakPolarHBondContact O-CG 3.41Å; E206-K210 PolarHBondContact O-N 3.36Å; E206-K210 VanDerWaalsContact OE1-CE 3.24Å; E206-K210 WeakPolarHBondContact OE1-CE 3.41Å; E206-K210 IonicContact OE1-NZ 2.63Å; E206-K210 PolarHBondContact OE1-NZ 3.47Å; M207-K210 PolarHBondContact O-N 2.97Å; H208-K210 PolarHBondContact O-N 3.07Å; K210-E213 PolarHBondContact O-N 3.49Å; K210-V214 WeakPolarHBondContact O-CG2 3.39Å; K210-V214 PolarHBondContact O-N 3.34Å; K210-V214 VanDerWaalsContact O-N 3.07Å |
| 211 | S | 95.5 | Very high | 92.8 | Very high | 65 Ų | 65 | 103.2 Ų | 103.2 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 176.7 | -175.3 | 0 | 0 | 0 | 0 | 111.9 | M207 H208 E209 V214 L215 | M207-S211 PolarHBondContact O-N 2.97Å; H208-S211 WeakPolarHBondContact O-CB 3.49Å; H208-S211 PolarHBondContact O-N 3.43Å; H208-S211 VanDerWaalsContact O-N 3.15Å; E209-S211 VanDerWaalsContact C-N 3.32Å; E209-S211 PolarHBondContact O-N 3.42Å; S211-V214 PolarHBondContact O-N 3.45Å; S211-L215 WeakPolarHBondContact O-CG 3.44Å; S211-L215 PolarHBondContact O-N 2.93Å; S211-L215 VanDerWaalsContact O-N 3.1Å |
| 212 | M | 94.6 | Very high | 90.7 | Very high | 75 Ų | 75 | 108.9 Ų | 108.9 | 37% | 0.369 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.9 | -40.7 | 177.9 | -71.3 | -61.2 | -65.5 | 0 | 0 | 111.5 | H208 E209 V214 L215 M216 | H208-M212 WeakPolarHBondContact O-CG 3.38Å; H208-M212 PolarHBondContact O-N 3.17Å; E209-M212 PolarHBondContact O-N 2.92Å; M212-V214 PolarHBondContact O-N 2.9Å; M212-L215 PolarHBondContact O-N 3.38Å; M212-L215 HydrophobicContact SD-CD1 4.38Å; M212-M216 WeakPolarHBondContact O-CG 3.45Å; M212-M216 PolarHBondContact O-N 3.15Å |
| 213 | E | 94.9 | Very high | 90.3 | Very high | 115 Ų | 115 | 107.5 Ų | 107.5 | 54% | 0.537 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.7 | -45 | 175.2 | -174.4 | -178.4 | -178.6 | 0 | 0 | 111.7 | E209 K210 L215 M216 N217 | E209-E213 PolarHBondContact O-N 3.48Å; K210-E213 PolarHBondContact O-N 3.49Å; E213-L215 PolarHBondContact O-N 3.1Å; E213-M216 PolarHBondContact O-N 3.14Å; E213-N217 WeakPolarHBondContact O-CB 3.39Å; E213-N217 VanDerWaalsContact O-CG 3.28Å; E213-N217 PolarHBondContact O-N 2.99Å; E213-N217 PolarHBondContact O-ND2 3.38Å; E213-N217 VanDerWaalsContact O-ND2 3.14Å |
| 214 | V | 94.3 | Very high | 89.9 | Confident | 86 Ų | 86 | 110.6 Ų | 110.6 | 52% | 0.521 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -59.1 | -45.3 | 174.9 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | K210 S211 M212 N217 L218 | K210-V214 WeakPolarHBondContact O-CG2 3.39Å; K210-V214 PolarHBondContact O-N 3.34Å; K210-V214 VanDerWaalsContact O-N 3.07Å; S211-V214 PolarHBondContact O-N 3.45Å; M212-V214 PolarHBondContact O-N 2.9Å; V214-N217 PolarHBondContact O-N 3.33Å; V214-L218 HydrophobicContact CG1-CD1 3.94Å; V214-L218 WeakPolarHBondContact O-CD1 3.5Å; V214-L218 PolarHBondContact O-N 3.13Å |
| 215 | L | 92.4 | Very high | 89.5 | Confident | 103 Ų | 103 | 112.5 Ų | 112.5 | 54% | 0.539 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.9 | -42 | 177.8 | -72.1 | 174 | 0 | 0 | 0 | 112.8 | S211 M212 E213 L218 G219 | S211-L215 WeakPolarHBondContact O-CG 3.44Å; S211-L215 PolarHBondContact O-N 2.93Å; S211-L215 VanDerWaalsContact O-N 3.1Å; M212-L215 PolarHBondContact O-N 3.38Å; M212-L215 HydrophobicContact SD-CD1 4.38Å; E213-L215 PolarHBondContact O-N 3.1Å; L215-L218 WeakPolarHBondContact O-CB 3.46Å; L215-L218 PolarHBondContact O-N 3.24Å; L215-G219 PolarHBondContact O-N 3.24Å; L215-G219 VanDerWaalsContact O-N 3.13Å |
| 216 | M | 91.8 | Very high | 89 | Confident | 126 Ų | 126 | 111.5 Ų | 111.5 | 62% | 0.621 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.3 | -45.4 | 175.6 | -72.1 | -174 | -165.2 | 0 | 0 | 111.1 | M212 E213 L218 G219 T220 | M212-M216 WeakPolarHBondContact O-CG 3.45Å; M212-M216 PolarHBondContact O-N 3.15Å; E213-M216 PolarHBondContact O-N 3.14Å; M216-L218 VanDerWaalsContact C-N 3.31Å; M216-L218 PolarHBondContact O-N 3.32Å; M216-G219 PolarHBondContact O-N 3.42Å; M216-G219 VanDerWaalsContact O-N 3.13Å; M216-T220 PolarHBondContact O-N 3.23Å |
| 217 | N | 91.4 | Very high | 88.5 | Confident | 81 Ų | 81 | 112.2 Ų | 112.2 | 43% | 0.433 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.9 | -35.4 | 178.4 | -72.7 | -33 | 0 | 0 | 0 | 112.7 | E213 V214 T220 | E213-N217 WeakPolarHBondContact O-CB 3.39Å; E213-N217 VanDerWaalsContact O-CG 3.28Å; E213-N217 PolarHBondContact O-N 2.99Å; E213-N217 PolarHBondContact O-ND2 3.38Å; E213-N217 VanDerWaalsContact O-ND2 3.14Å; V214-N217 PolarHBondContact O-N 3.33Å; N217-T220 PolarHBondContact O-N 3.04Å; N217-T220 PolarHBondContact O-OG1 3.38Å |
| 218 | L | 87.7 | Confident | 87.9 | Confident | 106 Ų | 106 | 111.5 Ų | 111.5 | 56% | 0.555 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.2 | -42.5 | 172 | -88.7 | 145.3 | 0 | 0 | 0 | 112.2 | V214 L215 M216 T220 K221 | V214-L218 HydrophobicContact CG1-CD1 3.94Å; V214-L218 WeakPolarHBondContact O-CD1 3.5Å; V214-L218 PolarHBondContact O-N 3.13Å; L215-L218 WeakPolarHBondContact O-CB 3.46Å; L215-L218 PolarHBondContact O-N 3.24Å; M216-L218 VanDerWaalsContact C-N 3.31Å; M216-L218 PolarHBondContact O-N 3.32Å; L218-T220 PolarHBondContact O-N 2.81Å; L218-K221 PolarHBondContact O-N 3.13Å |
| 219 | G | 83.2 | Confident | 87.2 | Confident | 54 Ų | 54 | 110.9 Ų | 110.9 | 56% | 0.557 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.1 | -27.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | L215 M216 | L215-G219 PolarHBondContact O-N 3.24Å; L215-G219 VanDerWaalsContact O-N 3.13Å; M216-G219 PolarHBondContact O-N 3.42Å; M216-G219 VanDerWaalsContact O-N 3.13Å |
| 220 | T | 80.1 | Confident | 86.5 | Confident | 106 Ų | 106 | 108.8 Ų | 108.8 | 65% | 0.65 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -10.8 | 178.1 | 60.4 | 0 | 0 | 0 | 0 | 115 | M216 N217 L218 | M216-T220 PolarHBondContact O-N 3.23Å; N217-T220 PolarHBondContact O-N 3.04Å; N217-T220 PolarHBondContact O-OG1 3.38Å; L218-T220 PolarHBondContact O-N 2.81Å |
| 221 | K | 68.8 | Low | 85.7 | Confident | 178 Ų | 178 | 108.7 Ų | 108.7 | 77% | 0.774 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -0.2 | -177.8 | -76.5 | -177.7 | 178.6 | 177.6 | 0 | 114.3 | L218 | L218-K221 PolarHBondContact O-N 3.13Š|
| 222 | N | 54.2 | Low | 84.8 | Confident | 209 Ų | 209 | 112.6 Ų | 112.6 | 100% | 1.118 | 61% | 0.607 | S | S | * | * | trans | -105.9 | 0 | 170.1 | -72.6 | -22.1 | 0 | 0 | 0 | 110 |
Retrieved 222 of 222 residues in 82 ms
(Link to these results)