| 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 | 42.1 | Very low | 52.9 | Low | 243 Ų | 243 | 154.9 Ų | 154.9 | 100% | 1.197 | 73% | 0.731 | S | S | * | * | 0 | 108.8 | 0 | -79.1 | -176.7 | -107.5 | 0 | 0 | 108.5 | |||||
| 2 | R | 40.6 | Very low | 54.3 | Low | 249 Ų | 249 | 146.9 Ų | 146.9 | 94% | 0.94 | 70% | 0.695 | S | S | * | * | trans | -77.5 | 120 | 173.7 | -82.8 | -178.8 | 173.7 | 169.5 | -2.6 | 108.1 | M4 | R2-M4 PolarHBondContact O-N 3.32Š| ||
| 3 | R | 40.2 | Very low | 54.9 | Low | 248 Ų | 248 | 140.5 Ų | 140.5 | 94% | 0.936 | 67% | 0.674 | S | S | * | * | trans | -70.9 | 114.8 | 169.6 | -69.5 | -173.3 | -174.9 | -167.1 | 1.9 | 107 | A5 | R3-A5 PolarHBondContact O-N 3.36Š| ||
| 4 | M | 38.8 | Very low | 55.9 | Low | 176 Ų | 176 | 138.6 Ų | 138.6 | 87% | 0.867 | 66% | 0.661 | S | S | * | * | trans | -69 | 120.9 | 168.4 | -62.8 | -80.4 | -97 | 0 | 0 | 106.6 | R2 L6 | R2-M4 PolarHBondContact O-N 3.32Å; M4-L6 PolarHBondContact O-N 3.49Å | ||
| 5 | A | 56.6 | Low | 57.1 | Low | 91 Ų | 91 | 141.9 Ų | 141.9 | 75% | 0.752 | 68% | 0.675 | S | S | * | * | trans | -66.1 | 127.1 | 171 | 0 | 0 | 0 | 0 | 0 | 108.1 | R3 K7 | R3-A5 PolarHBondContact O-N 3.36Å; A5-K7 PolarHBondContact O-N 3.11Å; A5-K7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | L | 46.2 | Very low | 57.9 | Low | 169 Ų | 169 | 138.1 Ų | 138.1 | 89% | 0.885 | 69% | 0.685 | S | S | * | * | trans | -69.1 | 105.6 | 171.7 | -78.8 | 117.4 | 0 | 0 | 0 | 107.7 | M4 | M4-L6 PolarHBondContact O-N 3.49Š| ||
| 7 | K | 59.3 | Low | 58.6 | Low | 127 Ų | 127 | 138.2 Ų | 138.2 | 55% | 0.552 | 68% | 0.677 | S | S | * | * | trans | -58.8 | 136.4 | 173.2 | -62.6 | -170.3 | 174.9 | -140.7 | 0 | 109.6 | A5 L9 D24 | A5-K7 PolarHBondContact O-N 3.11Å; A5-K7 VanDerWaalsContact O-N 3.09Å; K7-L9 PolarHBondContact O-N 3.43Å; K7-D24 WeakPolarHBondContact CE-OD1 3.36Å; K7-D24 IonicContact NZ-OD1 2.76Å; K7-D24 PolarHBondContact NZ-OD1 3.2Å; K7-D24 IonicContact NZ-OD2 3.54Å | ||
| 8 | K | 61.1 | Low | 59.2 | Low | 133 Ų | 133 | 136.5 Ų | 136.5 | 58% | 0.578 | 67% | 0.671 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.8 | 99.8 | 175.2 | -69.4 | 174.5 | -166.1 | 142.5 | 0 | 108.9 | D25 | K8-D25 IonicContact NZ-OD1 3.23Å; K8-D25 PolarHBondContact NZ-OD1 3.33Å |
| 9 | L | 62.9 | Low | 59.8 | Low | 85 Ų | 85 | 133.2 Ų | 133.2 | 45% | 0.445 | 66% | 0.655 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.9 | 125.1 | 174.6 | -174.9 | 67.5 | 0 | 0 | 0 | 109.9 | K7 V11 L20 D22 | K7-L9 PolarHBondContact O-N 3.43Å; L9-V11 HydrophobicContact CD2-CG2 4.39Å; L9-V11 HydrophobicContact CG-CG2 4.37Å; L9-L20 HydrophobicContact CD1-CB 3.91Å; L9-L20 HydrophobicContact CD1-CD2 3.98Å; L9-L20 HydrophobicContact CD1-CG 3.84Å; L9-L20 HydrophobicContact CD2-CD2 3.65Å; L9-L20 HydrophobicContact CD2-CG 3.91Å; L9-L20 HydrophobicContact CG-CD2 4.34Å; L9-L20 HydrophobicContact CG-CG 4.18Å; L9-D22 WeakPolarHBondContact CD1-OD1 3.39Å |
| 10 | K | 69.7 | Low | 60 | Low | 130 Ų | 130 | 131.8 Ų | 131.8 | 57% | 0.565 | 65% | 0.65 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.9 | 128.6 | 170.3 | -167.1 | 162.8 | -179.3 | 165.4 | 0 | 109.9 | L21 F23 | K10-L21 PolarHBondContact N-O 3.31Å; K10-L21 VanDerWaalsContact N-O 3.13Å; K10-L21 PolarHBondContact O-N 3.49Å; K10-F23 HydrophobicContact CB-CD2 4.49Å; K10-F23 HydrophobicContact CB-CE2 4.04Å; K10-F23 HydrophobicContact CD-CE2 4.45Å |
| 11 | V | 64.3 | Low | 60.1 | Low | 53 Ų | 53 | 128.2 Ų | 128.2 | 32% | 0.321 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.4 | 114.8 | 180 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | L9 L18 L19 L20 | L9-V11 HydrophobicContact CD2-CG2 4.39Å; L9-V11 HydrophobicContact CG-CG2 4.37Å; V11-L18 HydrophobicContact CG1-CB 4.01Å; V11-L18 HydrophobicContact CG1-CD1 4Å; V11-L18 HydrophobicContact CG1-CD2 4.11Å; V11-L18 HydrophobicContact CG1-CG 4.26Å; V11-L19 WeakPolarHBondContact CA-O 3.36Å; V11-L20 HydrophobicContact CG2-CD1 4.31Å; V11-L20 HydrophobicContact CG2-CG 4.42Å |
| 12 | I | 69.7 | Low | 60.9 | Low | 59 Ų | 59 | 121.9 Ų | 121.9 | 30% | 0.303 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.6 | 115.5 | 175.6 | -57.4 | 179.9 | 0 | 0 | 0 | 108.4 | L19 L21 | I12-L19 HydrophobicContact CB-CB 4.36Å; I12-L19 PolarHBondContact N-O 2.97Å; I12-L19 PolarHBondContact O-N 3.13Å; I12-L21 HydrophobicContact CD1-CD1 3.57Å; I12-L21 HydrophobicContact CG1-CD1 4.34Å |
| 13 | P | 62.2 | Low | 61.3 | Low | 64 Ų | 64 | 115 Ų | 115 | 42% | 0.416 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.9 | 136.3 | 171.7 | -14.7 | 28.7 | 0 | 0 | 0 | 111.2 | L18 | P13-L18 HydrophobicContact CB-CD2 4.09Å; P13-L18 HydrophobicContact CG-CD2 4.49Å |
| 14 | K | 69.6 | Low | 62 | Low | 114 Ų | 114 | 108 Ų | 108 | 50% | 0.496 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.3 | 163.3 | 167 | -68.4 | -65.1 | -175.5 | 174.8 | 0 | 109.4 | G16 Y17 L19 | K14-G16 PolarHBondContact O-N 3.17Å; K14-Y17 CarbonylContact C-O 3.59Å; K14-Y17 HydrophobicContact CB-CD2 4.2Å; K14-Y17 HydrophobicContact CB-CE1 4.18Å; K14-Y17 HydrophobicContact CB-CE2 3.85Å; K14-Y17 HydrophobicContact CG-CE2 4.03Å; K14-Y17 PolarHBondContact N-O 3.41Å; K14-Y17 PolarHBondContact O-N 3.29Å; K14-L19 HydrophobicContact CG-CD1 3.84Å |
| 15 | E | 72.7 | Confident | 62.9 | Low | 188 Ų | 188 | 105.2 Ų | 105.2 | 88% | 0.879 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | 106.7 | 171.9 | -113.1 | 76.3 | -146.4 | 0 | 0 | 110 | Y17 | E15-Y17 WeakPolarHBondContact O-CD1 3.43Š|
| 16 | G | 71.1 | Confident | 62.9 | Low | 80 Ų | 80 | 108.4 Ų | 108.4 | 83% | 0.825 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.9 | -5.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 117 | K14 | K14-G16 PolarHBondContact O-N 3.17Š|
| 17 | Y | 69.7 | Low | 63 | Low | 140 Ų | 140 | 108.4 Ų | 108.4 | 55% | 0.549 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -158.1 | 164.3 | 177 | 58.7 | -84.2 | 0 | 0 | 0 | 112.6 | K14 E15 L19 | K14-Y17 CarbonylContact C-O 3.59Å; K14-Y17 HydrophobicContact CB-CD2 4.2Å; K14-Y17 HydrophobicContact CB-CE1 4.18Å; K14-Y17 HydrophobicContact CB-CE2 3.85Å; K14-Y17 HydrophobicContact CG-CE2 4.03Å; K14-Y17 PolarHBondContact N-O 3.41Å; K14-Y17 PolarHBondContact O-N 3.29Å; E15-Y17 WeakPolarHBondContact O-CD1 3.43Å; Y17-L19 HydrophobicContact CD2-CG 4.23Å; Y17-L19 HydrophobicContact CE2-CD1 4.09Å; Y17-L19 HydrophobicContact CE2-CD2 4.38Å; Y17-L19 HydrophobicContact CE2-CG 3.86Å |
| 18 | L | 69.3 | Low | 62.5 | Low | 108 Ų | 108 | 108.7 Ų | 108.7 | 57% | 0.565 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.8 | 173.9 | -62.9 | -179.4 | 0 | 0 | 0 | 109.3 | V11 P13 L20 | V11-L18 HydrophobicContact CG1-CB 4.01Å; V11-L18 HydrophobicContact CG1-CD1 4Å; V11-L18 HydrophobicContact CG1-CD2 4.11Å; V11-L18 HydrophobicContact CG1-CG 4.26Å; P13-L18 HydrophobicContact CB-CD2 4.09Å; P13-L18 HydrophobicContact CG-CD2 4.49Å; L18-L20 HydrophobicContact CB-CD1 4.34Å |
| 19 | L | 70.3 | Confident | 61.9 | Low | 73 Ų | 73 | 109.2 Ų | 109.2 | 38% | 0.382 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83 | 117.7 | 168.4 | -80.9 | 159.5 | 0 | 0 | 0 | 108.7 | V11 I12 K14 Y17 | V11-L19 WeakPolarHBondContact CA-O 3.36Å; I12-L19 HydrophobicContact CB-CB 4.36Å; I12-L19 PolarHBondContact N-O 2.97Å; I12-L19 PolarHBondContact O-N 3.13Å; K14-L19 HydrophobicContact CG-CD1 3.84Å; Y17-L19 HydrophobicContact CD2-CG 4.23Å; Y17-L19 HydrophobicContact CE2-CD1 4.09Å; Y17-L19 HydrophobicContact CE2-CD2 4.38Å; Y17-L19 HydrophobicContact CE2-CG 3.86Å |
| 20 | L | 62.9 | Low | 61.1 | Low | 105 Ų | 105 | 111.7 Ų | 111.7 | 55% | 0.55 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.7 | 117.9 | 168.7 | -93.4 | 70.4 | 0 | 0 | 0 | 108 | L9 V11 L18 | L9-L20 HydrophobicContact CD1-CB 3.91Å; L9-L20 HydrophobicContact CD1-CD2 3.98Å; L9-L20 HydrophobicContact CD1-CG 3.84Å; L9-L20 HydrophobicContact CD2-CD2 3.65Å; L9-L20 HydrophobicContact CD2-CG 3.91Å; L9-L20 HydrophobicContact CG-CD2 4.34Å; L9-L20 HydrophobicContact CG-CG 4.18Å; V11-L20 HydrophobicContact CG2-CD1 4.31Å; V11-L20 HydrophobicContact CG2-CG 4.42Å; L18-L20 HydrophobicContact CB-CD1 4.34Å |
| 21 | L | 62.3 | Low | 59.9 | Low | 58 Ų | 58 | 114 Ų | 114 | 30% | 0.304 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107 | 113.9 | 172.7 | -66.8 | 169.1 | 0 | 0 | 0 | 108.4 | K10 I12 F23 | K10-L21 PolarHBondContact N-O 3.31Å; K10-L21 VanDerWaalsContact N-O 3.13Å; K10-L21 PolarHBondContact O-N 3.49Å; I12-L21 HydrophobicContact CD1-CD1 3.57Å; I12-L21 HydrophobicContact CG1-CD1 4.34Å; L21-F23 HydrophobicContact CB-CE2 4.24Å |
| 22 | D | 58.9 | Low | 58.7 | Low | 110 Ų | 110 | 117.5 Ų | 117.5 | 59% | 0.588 | 61% | 0.612 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81 | 112.8 | 168.9 | -73.7 | -19.4 | 0 | 0 | 0 | 108.1 | L9 | L9-D22 WeakPolarHBondContact CD1-OD1 3.39Å |
| 23 | F | 49.8 | Very low | 57.5 | Low | 103 Ų | 103 | 119 Ų | 119 | 45% | 0.452 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.9 | 95.2 | 160.3 | -66.1 | -85.4 | 0 | 0 | 0 | 105.9 | K10 L21 D25 | K10-F23 HydrophobicContact CB-CD2 4.49Å; K10-F23 HydrophobicContact CB-CE2 4.04Å; K10-F23 HydrophobicContact CD-CE2 4.45Å; L21-F23 HydrophobicContact CB-CE2 4.24Å; F23-D25 PolarHBondContact O-N 3.41Å |
| 24 | D | 55.3 | Low | 56.5 | Low | 102 Ų | 102 | 123.6 Ų | 123.6 | 55% | 0.545 | 64% | 0.644 | S | S | . | * | trans | -64 | 126.9 | 157.4 | -91.7 | -24.2 | 0 | 0 | 0 | 105.8 | K7 E26 | K7-D24 WeakPolarHBondContact CE-OD1 3.36Å; K7-D24 IonicContact NZ-OD1 2.76Å; K7-D24 PolarHBondContact NZ-OD1 3.2Å; K7-D24 IonicContact NZ-OD2 3.54Å; D24-E26 PolarHBondContact O-N 3.12Å | ||
| 25 | D | 56.7 | Low | 55 | Low | 118 Ų | 118 | 127.6 Ų | 127.6 | 63% | 0.631 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -68 | 21.2 | -173.2 | -81 | -49.4 | 0 | 0 | 0 | 112.7 | K8 F23 | K8-D25 IonicContact NZ-OD1 3.23Å; K8-D25 PolarHBondContact NZ-OD1 3.33Å; F23-D25 PolarHBondContact O-N 3.41Å |
| 26 | E | 55.9 | Low | 53.4 | Low | 157 Ų | 157 | 122.6 Ų | 122.6 | 73% | 0.734 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -117.8 | 130.5 | 175.6 | -67.8 | -90.6 | 163.2 | 0 | 0 | 107.7 | D24 D28 | D24-E26 PolarHBondContact O-N 3.12Å; E26-D28 PolarHBondContact O-N 3.31Å |
| 27 | D | 50.2 | Low | 51.9 | Low | 169 Ų | 169 | 125.9 Ų | 125.9 | 90% | 0.904 | 65% | 0.653 | S | S | * | * | trans | -64.4 | 53.1 | -166 | -64.6 | -68.4 | 0 | 0 | 0 | 116.2 | ||||
| 28 | D | 48.3 | Very low | 50.5 | Low | 134 Ų | 134 | 123.6 Ų | 123.6 | 72% | 0.717 | 66% | 0.657 | S | S | * | * | trans | -106.1 | 115.7 | 175.5 | -77 | -28.2 | 0 | 0 | 0 | 110.2 | E26 | E26-D28 PolarHBondContact O-N 3.31Š| ||
| 29 | D | 48.8 | Very low | 49 | Very low | 143 Ų | 143 | 127.4 Ų | 127.4 | 77% | 0.765 | 67% | 0.672 | S | S | * | * | trans | -17.2 | 127.4 | 169.8 | -66.9 | -49.6 | 0 | 0 | 0 | 114.4 | K31 | D29-K31 VanDerWaalsContact C-N 3.31Å; D29-K31 VanDerWaalsContact O-CG 3.27Å; D29-K31 WeakPolarHBondContact O-CG 3.43Å; D29-K31 PolarHBondContact O-N 2.75Å | ||
| 30 | I | 45.4 | Very low | 47.5 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 70% | 0.703 | 69% | 0.686 | S | S | * | * | trans | -38.8 | 92.7 | 173.6 | -50.2 | 167.3 | 0 | 0 | 0 | 109.1 | V32 | I30-V32 HydrophobicContact CG2-CG2 3.96Å; I30-V32 PolarHBondContact O-N 3.45Å | ||
| 31 | K | 43.4 | Very low | 46.3 | Very low | 180 Ų | 180 | 133.5 Ų | 133.5 | 78% | 0.783 | 70% | 0.7 | S | S | * | * | trans | -75.2 | 88.8 | 176.8 | -66.3 | -147.5 | -178.1 | -173.7 | 0 | 106.2 | D29 S33 | D29-K31 VanDerWaalsContact C-N 3.31Å; D29-K31 VanDerWaalsContact O-CG 3.27Å; D29-K31 WeakPolarHBondContact O-CG 3.43Å; D29-K31 PolarHBondContact O-N 2.75Å; K31-S33 PolarHBondContact O-N 2.98Å | ||
| 32 | V | 40.7 | Very low | 45.3 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 76% | 0.758 | 71% | 0.714 | S | S | * | * | trans | -67.7 | 76.8 | 161.6 | -176 | 0 | 0 | 0 | 0 | 105.9 | I30 E34 | I30-V32 HydrophobicContact CG2-CG2 3.96Å; I30-V32 PolarHBondContact O-N 3.45Å; V32-E34 PolarHBondContact O-N 3.19Å; V32-E34 VanDerWaalsContact O-N 3.11Å | ||
| 33 | S | 43.5 | Very low | 44.2 | Very low | 91 Ų | 91 | 135 Ų | 135 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | trans | -70.2 | 104.7 | 168.1 | 48.4 | 0 | 0 | 0 | 0 | 106.9 | K31 E35 | K31-S33 PolarHBondContact O-N 2.98Å; S33-E35 PolarHBondContact O-N 2.92Å | ||
| 34 | E | 41.6 | Very low | 43.6 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -64.4 | 0.6 | 177.5 | -163.9 | 172.4 | 175.9 | 0 | 0 | 113.1 | V32 A36 | V32-E34 PolarHBondContact O-N 3.19Å; V32-E34 VanDerWaalsContact O-N 3.11Å; E34-A36 PolarHBondContact O-N 3.34Å |
| 35 | E | 38.1 | Very low | 42.6 | Very low | 197 Ų | 197 | 138.9 Ų | 138.9 | 92% | 0.921 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -86 | 10.1 | -168.7 | -66.9 | -162.3 | 152.6 | 0 | 0 | 116.3 | S33 | S33-E35 PolarHBondContact O-N 2.92Š|
| 36 | A | 40.1 | Very low | 41.7 | Very low | 83 Ų | 83 | 139.9 Ų | 139.9 | 69% | 0.686 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -125.5 | 25.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E34 S38 | E34-A36 PolarHBondContact O-N 3.34Å; A36-S38 PolarHBondContact O-N 3.49Å |
| 37 | L | 38.6 | Very low | 41.2 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | trans | -71.3 | 63 | 160.9 | -63.2 | 179.5 | 0 | 0 | 0 | 109.3 | E39 | L37-E39 VanDerWaalsContact C-N 3.31Å; L37-E39 PolarHBondContact O-N 2.88Å | ||
| 38 | S | 39.6 | Very low | 40.3 | Very low | 93 Ų | 93 | 140.4 Ų | 140.4 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | trans | -64.5 | 105.3 | 159 | 63 | 0 | 0 | 0 | 0 | 105.4 | A36 V40 | A36-S38 PolarHBondContact O-N 3.49Å; S38-V40 PolarHBondContact O-N 3.24Å | ||
| 39 | E | 37.7 | Very low | 39.8 | Very low | 187 Ų | 187 | 141.7 Ų | 141.7 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | trans | -63.9 | 67.2 | 173.1 | -157.3 | 173 | -154.3 | 0 | 0 | 108.2 | L37 K41 | L37-E39 VanDerWaalsContact C-N 3.31Å; L37-E39 PolarHBondContact O-N 2.88Å; E39-K41 PolarHBondContact O-N 3.07Å | ||
| 40 | V | 38.7 | Very low | 39.1 | Very low | 112 Ų | 112 | 142 Ų | 142 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | trans | -73.5 | 86.8 | 168.7 | 178.5 | 0 | 0 | 0 | 0 | 104.4 | S38 S42 | S38-V40 PolarHBondContact O-N 3.24Å; V40-S42 PolarHBondContact O-N 2.92Å | ||
| 41 | K | 39.6 | Very low | 38.8 | Very low | 195 Ų | 195 | 142.2 Ų | 142.2 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | -60.5 | 80.2 | 167.6 | -170.8 | 158.2 | -175 | 167.1 | 0 | 107.5 | E39 | E39-K41 PolarHBondContact O-N 3.07Š| ||
| 42 | S | 41.2 | Very low | 38.5 | Very low | 84 Ų | 84 | 137.8 Ų | 137.8 | 59% | 0.587 | 75% | 0.75 | S | S | * | * | trans | -62.3 | 138.5 | 172.4 | 45 | 0 | 0 | 0 | 0 | 108.4 | V40 | V40-S42 PolarHBondContact O-N 2.92Š| ||
| 43 | P | 35.7 | Very low | 38.4 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | trans | -57.2 | 142.4 | -173.2 | -18.1 | 29.6 | 0 | 0 | 0 | 110.6 | F45 | P43-F45 PolarHBondContact O-N 3.12Š| ||
| 44 | A | 36.7 | Very low | 37.9 | Very low | 92 Ų | 92 | 141.3 Ų | 141.3 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | trans | -44.5 | 110.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | D46 | A44-D46 PolarHBondContact O-N 3.11Š| ||
| 45 | F | 34 | Very low | 37.7 | Very low | 196 Ų | 196 | 138 Ų | 138 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | -70.4 | 104 | 168.5 | -119.3 | -97.6 | 0 | 0 | 0 | 106.1 | P43 K47 | P43-F45 PolarHBondContact O-N 3.12Å; F45-K47 PolarHBondContact O-N 3.04Å | ||
| 46 | D | 37.4 | Very low | 37.6 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | -57.4 | 99.2 | 169.9 | -82 | -38.1 | 0 | 0 | 0 | 108.2 | A44 N48 | A44-D46 PolarHBondContact O-N 3.11Å; D46-N48 PolarHBondContact O-N 2.99Å | ||
| 47 | K | 45.5 | Very low | 37.5 | Very low | 204 Ų | 204 | 136 Ų | 136 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | trans | -72.6 | 70.8 | 171 | -65.5 | -174.9 | -178.6 | -177.2 | 0 | 108.7 | F45 | F45-K47 PolarHBondContact O-N 3.04Š| ||
| 48 | N | 32.1 | Very low | 37.5 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | -88.8 | 100.9 | 151.6 | 84.2 | 77.5 | 0 | 0 | 0 | 106.2 | D46 | D46-N48 PolarHBondContact O-N 2.99Š| ||
| 49 | E | 37 | Very low | 37.6 | Very low | 161 Ų | 161 | 138.7 Ų | 138.7 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | trans | 178.5 | 103.4 | 139.8 | -102.9 | -179.5 | 167.3 | 0 | 0 | 106.6 | I51 | E49-I51 VanDerWaalsContact C-N 3.29Å; E49-I51 PolarHBondContact O-N 3.4Å | ||
| 50 | N | 35.1 | Very low | 37.9 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | trans | -63.3 | 88.7 | 171.3 | -175 | 0.7 | 0 | 0 | 0 | 108.4 | ||||
| 51 | I | 37.9 | Very low | 38.3 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | trans | -112.2 | 80.8 | 160.8 | -51.4 | 175.9 | 0 | 0 | 0 | 105.2 | E49 P53 | E49-I51 VanDerWaalsContact C-N 3.29Å; E49-I51 PolarHBondContact O-N 3.4Å; I51-P53 WeakPolarHBondContact O-CD 3.38Å | ||
| 52 | S | 38.1 | Very low | 38 | Very low | 87 Ų | 87 | 132.8 Ų | 132.8 | 61% | 0.608 | 74% | 0.743 | S | S | * | * | trans | -53.3 | 125.3 | 162 | -79 | 0 | 0 | 0 | 0 | 107.6 | Q54 | S52-Q54 PolarHBondContact O-N 2.96Š| ||
| 53 | P | 38.5 | Very low | 38 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | trans | -60.2 | 111.2 | 163.1 | -12.4 | 27.1 | 0 | 0 | 0 | 105.7 | I51 A55 | I51-P53 WeakPolarHBondContact O-CD 3.38Å; P53-A55 PolarHBondContact O-N 3.11Å | ||
| 54 | Q | 33.2 | Very low | 38.3 | Very low | 168 Ų | 168 | 138 Ų | 138 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -58.6 | 107.9 | 169.1 | -158.3 | 178.7 | -71.5 | 0 | 0 | 105.6 | S52 E56 | S52-Q54 PolarHBondContact O-N 2.96Å; Q54-E56 VanDerWaalsContact C-N 3.3Å; Q54-E56 PolarHBondContact O-N 2.88Å | ||
| 55 | A | 36 | Very low | 39.1 | Very low | 92 Ų | 92 | 140.6 Ų | 140.6 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | trans | -64.2 | 96.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | P53 A57 | P53-A55 PolarHBondContact O-N 3.11Å; A55-A57 PolarHBondContact O-N 3.43Å | ||
| 56 | E | 36.5 | Very low | 39.4 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 71% | 0.71 | 75% | 0.751 | S | S | * | * | trans | -70 | 92.5 | 163.4 | -69.7 | -178.2 | 177.3 | 0 | 0 | 106.3 | Q54 D58 | Q54-E56 VanDerWaalsContact C-N 3.3Å; Q54-E56 PolarHBondContact O-N 2.88Å; E56-D58 PolarHBondContact O-N 3.48Å; E56-D58 VanDerWaalsContact O-N 3.12Å | ||
| 57 | A | 37.7 | Very low | 39.8 | Very low | 85 Ų | 85 | 136 Ų | 136 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | trans | -73.6 | 80.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | A55 | A55-A57 PolarHBondContact O-N 3.43Š| ||
| 58 | D | 39.5 | Very low | 39.5 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | -93.5 | 93.4 | 163.2 | -66.9 | -14.8 | 0 | 0 | 0 | 106 | E56 | E56-D58 PolarHBondContact O-N 3.48Å; E56-D58 VanDerWaalsContact O-N 3.12Å | ||
| 59 | E | 42.5 | Very low | 40 | Very low | 168 Ų | 168 | 136 Ų | 136 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | 60.1 | 89.8 | 103.5 | -65.6 | -167.7 | -175.3 | 0 | 0 | 110.6 | |||||
| 60 | D | 42.9 | Very low | 40 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | 56.9 | 86.2 | 99 | -170.6 | 24.8 | 0 | 0 | 0 | 112.3 | G62 | D60-G62 PolarHBondContact OD1-N 3.17Š| |||
| 61 | M | 46.9 | Very low | 40.4 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 82% | 0.823 | 76% | 0.759 | S | S | * | * | trans | -128.6 | 70.1 | 155.1 | -64.7 | -65 | -87.2 | 0 | 0 | 106.8 | D63 | M61-D63 PolarHBondContact O-N 3.41Š| ||
| 62 | G | 33.9 | Very low | 40.6 | Very low | 60 Ų | 60 | 134.8 Ų | 134.8 | 62% | 0.619 | 76% | 0.755 | S | S | * | * | trans | -69.7 | 104 | 154.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | D60 | D60-G62 PolarHBondContact OD1-N 3.17Š| ||
| 63 | D | 40 | Very low | 40.5 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 68% | 0.684 | 77% | 0.765 | S | S | * | * | trans | -123.2 | 88.9 | 160.6 | -82.1 | -29.2 | 0 | 0 | 0 | 108 | M61 V65 | M61-D63 PolarHBondContact O-N 3.41Å; D63-V65 PolarHBondContact O-N 2.86Å | ||
| 64 | E | 43.7 | Very low | 40.5 | Very low | 181 Ų | 181 | 138 Ų | 138 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | 28.3 | 87.4 | 131.6 | -159.8 | 169.6 | -160.7 | 0 | 0 | 116.3 | D66 | E64-D66 PolarHBondContact O-N 3.31Š| ||
| 65 | V | 51.7 | Low | 40.9 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 89% | 0.885 | 76% | 0.756 | S | S | * | * | trans | -90.9 | 90.9 | 157 | -72.9 | 0 | 0 | 0 | 0 | 109.2 | D63 | D63-V65 PolarHBondContact O-N 2.86Š| ||
| 66 | D | 41.9 | Very low | 40.8 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 68% | 0.684 | 76% | 0.756 | S | S | * | * | trans | -12 | 118.2 | 164.3 | -146.6 | -3.9 | 0 | 0 | 0 | 115.7 | E64 M68 | E64-D66 PolarHBondContact O-N 3.31Å; D66-M68 PolarHBondContact O-N 2.95Å; D66-M68 VanDerWaalsContact O-N 3.08Å | ||
| 67 | S | 44.2 | Very low | 41.1 | Very low | 111 Ų | 111 | 137 Ų | 137 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | -75.5 | 88.9 | 177.3 | 56.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 68 | M | 41 | Very low | 41 | Very low | 169 Ų | 169 | 138 Ų | 138 | 83% | 0.833 | 76% | 0.764 | S | S | * | * | trans | -110.9 | 60.4 | 160.2 | -77.5 | -177.6 | 82.7 | 0 | 0 | 110.4 | D66 D70 | D66-M68 PolarHBondContact O-N 2.95Å; D66-M68 VanDerWaalsContact O-N 3.08Å; M68-D70 PolarHBondContact O-N 3.43Å | ||
| 69 | L | 41.5 | Very low | 41 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | -88.5 | 84.3 | 157.6 | -86.8 | 170.3 | 0 | 0 | 0 | 107.4 | K71 | L69-K71 PolarHBondContact O-N 3.05Å; L69-K71 VanDerWaalsContact O-N 3.12Å | ||
| 70 | D | 38 | Very low | 40.8 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | trans | -63.7 | 109.3 | 172.3 | -170.6 | 15.1 | 0 | 0 | 0 | 109.2 | M68 S72 | M68-D70 PolarHBondContact O-N 3.43Å; D70-S72 VanDerWaalsContact C-N 3.32Å; D70-S72 PolarHBondContact O-N 3.35Å; D70-S72 VanDerWaalsContact O-N 3.15Å | ||
| 71 | K | 43.2 | Very low | 40.4 | Very low | 192 Ų | 192 | 137.6 Ų | 137.6 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | -82.7 | 76.2 | 176.7 | -66.9 | -176.5 | -179.6 | -179.3 | 0 | 108.4 | L69 E73 | L69-K71 PolarHBondContact O-N 3.05Å; L69-K71 VanDerWaalsContact O-N 3.12Å; K71-E73 VanDerWaalsContact C-N 3.33Å; K71-E73 PolarHBondContact O-N 3.47Å | ||
| 72 | S | 40.9 | Very low | 40 | Very low | 92 Ų | 92 | 136.4 Ų | 136.4 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | trans | -79.7 | 88.4 | 167 | 67.1 | 0 | 0 | 0 | 0 | 109.2 | D70 V74 | D70-S72 VanDerWaalsContact C-N 3.32Å; D70-S72 PolarHBondContact O-N 3.35Å; D70-S72 VanDerWaalsContact O-N 3.15Å; S72-V74 PolarHBondContact O-N 3.07Å; S72-V74 VanDerWaalsContact O-N 3.16Å | ||
| 73 | E | 37.1 | Very low | 40.4 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | -68.1 | 99.7 | 172.2 | -158.3 | 166.8 | -152.5 | 0 | 0 | 108.8 | K71 N75 | K71-E73 VanDerWaalsContact C-N 3.33Å; K71-E73 PolarHBondContact O-N 3.47Å; E73-N75 PolarHBondContact O-N 3.32Å; E73-N75 VanDerWaalsContact O-N 3.1Å | ||
| 74 | V | 39.1 | Very low | 40.3 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 64% | 0.642 | 78% | 0.783 | S | S | * | * | trans | -72.8 | 99.1 | 177.5 | 173.3 | 0 | 0 | 0 | 0 | 109 | S72 N76 | S72-V74 PolarHBondContact O-N 3.07Å; S72-V74 VanDerWaalsContact O-N 3.16Å; V74-N76 PolarHBondContact O-N 3.31Å | ||
| 75 | N | 40 | Very low | 40.4 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | -72.7 | 107.7 | 166.4 | -75.9 | -53.8 | 0 | 0 | 0 | 109.4 | E73 P77 | E73-N75 PolarHBondContact O-N 3.32Å; E73-N75 VanDerWaalsContact O-N 3.1Å; N75-P77 WeakPolarHBondContact O-CD 3.32Å | ||
| 76 | N | 35.6 | Very low | 39.9 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | -93.5 | 107.7 | 169.2 | -73.4 | -43.4 | 0 | 0 | 0 | 109.3 | V74 A78 | V74-N76 PolarHBondContact O-N 3.31Å; N76-A78 PolarHBondContact O-N 2.92Å | ||
| 77 | P | 41.4 | Very low | 40.2 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | trans | -80.8 | 115.5 | 171 | 31.1 | -28.5 | 0 | 0 | 0 | 109.4 | N75 I79 | N75-P77 WeakPolarHBondContact O-CD 3.32Å; P77-I79 PolarHBondContact O-N 3.2Å; P77-I79 VanDerWaalsContact O-N 3.14Å | ||
| 78 | A | 36.5 | Very low | 40.1 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -69 | 101.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | N76 | N76-A78 PolarHBondContact O-N 2.92Š| ||
| 79 | I | 39.8 | Very low | 40.2 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 128.4 | 173.9 | -84.7 | 170.7 | 0 | 0 | 0 | 110.3 | P77 | P77-I79 PolarHBondContact O-N 3.2Å; P77-I79 VanDerWaalsContact O-N 3.14Å |
| 80 | G | 36.6 | Very low | 40.4 | Very low | 69 Ų | 69 | 141.3 Ų | 141.3 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 155.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 81 | K | 35.3 | Very low | 40.9 | Very low | 210 Ų | 210 | 137.2 Ų | 137.2 | 91% | 0.913 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 123.5 | 175.7 | -57.7 | 162.9 | 178.4 | 176.3 | 0 | 109.3 | ||
| 82 | D | 39.2 | Very low | 41.5 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | -160.3 | 135.8 | 137.3 | -118.6 | -12 | 0 | 0 | 0 | 112.7 | ||||
| 83 | E | 41.6 | Very low | 42.5 | Very low | 161 Ų | 161 | 138 Ų | 138 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | 63.8 | 93.9 | 149.4 | -62 | -177 | 172 | 0 | 0 | 119.9 | I85 | E83-I85 PolarHBondContact O-N 3.4Š| ||
| 84 | N | 37.2 | Very low | 43.9 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | -31.3 | 84.3 | 148.4 | -169.2 | -14.8 | 0 | 0 | 0 | 114.3 | ||||
| 85 | I | 46.5 | Very low | 45.5 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | -96.6 | 118.8 | 152.1 | -55.5 | 175.9 | 0 | 0 | 0 | 104.5 | E83 P87 | E83-I85 PolarHBondContact O-N 3.4Å; I85-P87 HydrophobicContact CG2-CG 4.13Å; I85-P87 WeakPolarHBondContact O-CD 3.4Å | ||
| 86 | S | 41.6 | Very low | 47.3 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | trans | -97 | 94.8 | 171.5 | 177.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 87 | P | 47.8 | Very low | 49.4 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | trans | -83.9 | 132.3 | 175.1 | -5 | 27.7 | 0 | 0 | 0 | 108.4 | I85 V89 | I85-P87 HydrophobicContact CG2-CG 4.13Å; I85-P87 WeakPolarHBondContact O-CD 3.4Å; P87-V89 PolarHBondContact O-N 2.96Å | ||
| 88 | Q | 41.6 | Very low | 51.3 | Low | 187 Ų | 187 | 132 Ų | 132 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | trans | -44.5 | 126.1 | -179.3 | -66.5 | 170.3 | -3.4 | 0 | 0 | 113.7 | K90 | Q88-K90 PolarHBondContact O-N 2.98Š| ||
| 89 | V | 44.5 | Very low | 53.6 | Low | 132 Ų | 132 | 130.6 Ų | 130.6 | 80% | 0.8 | 71% | 0.71 | S | S | * | * | trans | -53.1 | 100.2 | 168.9 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | P87 | P87-V89 PolarHBondContact O-N 2.96Š| ||
| 90 | K | 44.6 | Very low | 55.8 | Low | 201 Ų | 201 | 125 Ų | 125 | 87% | 0.874 | 69% | 0.689 | S | S | * | * | trans | -160.8 | 89.9 | 169.8 | -136.2 | 173.1 | -175.1 | 177.8 | 0 | 111.3 | Q88 | Q88-K90 PolarHBondContact O-N 2.98Š| ||
| 91 | G | 49.4 | Very low | 58.1 | Low | 57 Ų | 57 | 123.5 Ų | 123.5 | 59% | 0.588 | 67% | 0.668 | S | S | * | * | trans | 134.6 | 4.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | E93 | G91-E93 PolarHBondContact O-N 2.73Š| ||
| 92 | D | 55.4 | Low | 60.6 | Low | 119 Ų | 119 | 118.3 Ų | 118.3 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.4 | -6.6 | -175.5 | -63.3 | -23.1 | 0 | 0 | 0 | 114.8 | D94 G96 | D92-D94 PolarHBondContact O-N 3Å; D92-G96 PolarHBondContact O-N 3.22Å |
| 93 | E | 61.6 | Low | 63.1 | Low | 181 Ų | 181 | 117.1 Ų | 117.1 | 85% | 0.846 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.3 | -35.9 | -179 | -66.7 | -177.5 | -173.8 | 0 | 0 | 112.9 | G91 G96 H97 | G91-E93 PolarHBondContact O-N 2.73Å; E93-G96 PolarHBondContact O-N 3.27Å; E93-H97 PolarHBondContact O-N 2.96Å |
| 94 | D | 67.8 | Low | 65.4 | Low | 132 Ų | 132 | 115.3 Ų | 115.3 | 71% | 0.706 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.5 | -44.7 | -178.8 | -166.8 | 29.1 | 0 | 0 | 0 | 111.5 | D92 G96 H97 E98 | D92-D94 PolarHBondContact O-N 3Å; D94-G96 VanDerWaalsContact C-N 3.26Å; D94-G96 PolarHBondContact O-N 3.26Å; D94-H97 PolarHBondContact O-N 3.45Å; D94-E98 PolarHBondContact O-N 3.46Å |
| 95 | M | 71.2 | Confident | 68 | Low | 121 Ų | 121 | 114.2 Ų | 114.2 | 60% | 0.596 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -62.9 | -34.7 | 173 | -58.7 | -62.8 | -97.4 | 0 | 0 | 111.3 | H97 E98 V99 | M95-H97 VanDerWaalsContact C-N 3.35Å; M95-H97 PolarHBondContact O-N 3.38Å; M95-E98 PolarHBondContact O-N 2.99Å; M95-V99 WeakPolarHBondContact O-CB 3.46Å; M95-V99 WeakPolarHBondContact O-CG2 3.46Å; M95-V99 PolarHBondContact O-N 3.49Å |
| 96 | G | 77.5 | Confident | 70 | Confident | 44 Ų | 44 | 110.2 Ų | 110.2 | 45% | 0.454 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.6 | -39 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D92 E93 D94 G100 | D92-G96 PolarHBondContact O-N 3.22Å; E93-G96 PolarHBondContact O-N 3.27Å; D94-G96 VanDerWaalsContact C-N 3.26Å; D94-G96 PolarHBondContact O-N 3.26Å; G96-G100 PolarHBondContact O-N 3.33Å |
| 97 | H | 79.7 | Confident | 72.5 | Confident | 144 Ų | 144 | 106.9 Ų | 106.9 | 67% | 0.667 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -72.7 | -41.5 | 177.1 | -163.6 | -24.9 | 0 | 0 | 0 | 112 | E93 D94 M95 G100 S101 | E93-H97 PolarHBondContact O-N 2.96Å; D94-H97 PolarHBondContact O-N 3.45Å; M95-H97 VanDerWaalsContact C-N 3.35Å; M95-H97 PolarHBondContact O-N 3.38Å; H97-G100 PolarHBondContact O-N 3.05Å; H97-S101 WeakPolarHBondContact O-CB 3.4Å; H97-S101 PolarHBondContact O-N 3.26Å |
| 98 | E | 83.2 | Confident | 74.6 | Confident | 100 Ų | 100 | 105.5 Ų | 105.5 | 47% | 0.467 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.4 | -51.8 | 175.6 | -176.8 | 174.7 | -172.9 | 0 | 0 | 110.7 | D94 M95 G100 S101 M102 | D94-E98 PolarHBondContact O-N 3.46Å; M95-E98 PolarHBondContact O-N 2.99Å; E98-G100 VanDerWaalsContact C-N 3.33Å; E98-G100 PolarHBondContact O-N 2.9Å; E98-S101 PolarHBondContact O-N 3.13Å; E98-S101 VanDerWaalsContact O-N 3.13Å; E98-S101 PolarHBondContact O-OG 2.96Å; E98-M102 HydrophobicContact CG-CE 3.66Å; E98-M102 HydrophobicContact CG-SD 4.34Å; E98-M102 WeakPolarHBondContact O-CG 3.49Å; E98-M102 PolarHBondContact O-N 3.37Å; E98-M102 WeakPolarHBondContact OE1-CE 3.45Å |
| 99 | V | 84.2 | Confident | 77.2 | Confident | 79 Ų | 79 | 101 Ų | 101 | 48% | 0.479 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.2 | -43.7 | 177 | 172.1 | 0 | 0 | 0 | 0 | 111 | M95 S101 M102 L103 | M95-V99 WeakPolarHBondContact O-CB 3.46Å; M95-V99 WeakPolarHBondContact O-CG2 3.46Å; M95-V99 PolarHBondContact O-N 3.49Å; V99-S101 VanDerWaalsContact C-N 3.33Å; V99-S101 PolarHBondContact O-N 2.96Å; V99-M102 PolarHBondContact O-N 3.44Å; V99-L103 HydrophobicContact CG1-CD1 3.85Å; V99-L103 HydrophobicContact CG1-CG 4.31Å; V99-L103 WeakPolarHBondContact O-CB 3.49Å; V99-L103 VanDerWaalsContact O-CG 3.27Å; V99-L103 WeakPolarHBondContact O-CG 3.39Å; V99-L103 PolarHBondContact O-N 3.22Å |
| 100 | G | 85.6 | Confident | 79.6 | Confident | 35 Ų | 35 | 99.2 Ų | 99.2 | 36% | 0.361 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.3 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G96 H97 E98 L103 D104 | G96-G100 PolarHBondContact O-N 3.33Å; H97-G100 PolarHBondContact O-N 3.05Å; E98-G100 VanDerWaalsContact C-N 3.33Å; E98-G100 PolarHBondContact O-N 2.9Å; G100-L103 PolarHBondContact O-N 3.09Å; G100-D104 PolarHBondContact O-N 3.49Å |
| 101 | S | 85.6 | Confident | 82.1 | Confident | 39 Ų | 39 | 96.5 Ų | 96.5 | 27% | 0.273 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.1 | -34.7 | 177.6 | 80.5 | 0 | 0 | 0 | 0 | 113.1 | H97 E98 V99 K105 | H97-S101 WeakPolarHBondContact O-CB 3.4Å; H97-S101 PolarHBondContact O-N 3.26Å; E98-S101 PolarHBondContact O-N 3.13Å; E98-S101 VanDerWaalsContact O-N 3.13Å; E98-S101 PolarHBondContact O-OG 2.96Å; V99-S101 VanDerWaalsContact C-N 3.33Å; V99-S101 PolarHBondContact O-N 2.96Å; S101-K105 VanDerWaalsContact O-CG 3.3Å; S101-K105 WeakPolarHBondContact O-CG 3.4Å; S101-K105 PolarHBondContact O-N 3.42Å; S101-K105 VanDerWaalsContact O-N 3.16Å |
| 102 | M | 87.2 | Confident | 84.3 | Confident | 101 Ų | 101 | 98.5 Ų | 98.5 | 50% | 0.498 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.2 | -39.8 | 175.3 | -71.7 | -178 | 178.4 | 0 | 0 | 111.3 | E98 V99 S106 | E98-M102 HydrophobicContact CG-CE 3.66Å; E98-M102 HydrophobicContact CG-SD 4.34Å; E98-M102 WeakPolarHBondContact O-CG 3.49Å; E98-M102 PolarHBondContact O-N 3.37Å; E98-M102 WeakPolarHBondContact OE1-CE 3.45Å; V99-M102 PolarHBondContact O-N 3.44Å; M102-S106 VanDerWaalsContact O-CB 3.22Å; M102-S106 WeakPolarHBondContact O-CB 3.35Å; M102-S106 PolarHBondContact O-N 3.36Å |
| 103 | L | 90.5 | Very high | 86.3 | Confident | 116 Ų | 116 | 97.3 Ų | 97.3 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68 | -39 | 176.7 | -70.6 | 170.6 | 0 | 0 | 0 | 112.2 | V99 G100 S106 G107 | V99-L103 HydrophobicContact CG1-CD1 3.85Å; V99-L103 HydrophobicContact CG1-CG 4.31Å; V99-L103 WeakPolarHBondContact O-CB 3.49Å; V99-L103 VanDerWaalsContact O-CG 3.27Å; V99-L103 WeakPolarHBondContact O-CG 3.39Å; V99-L103 PolarHBondContact O-N 3.22Å; G100-L103 PolarHBondContact O-N 3.09Å; L103-S106 PolarHBondContact O-N 3.38Å; L103-G107 PolarHBondContact O-N 2.89Å |
| 104 | D | 90.6 | Very high | 88 | Confident | 124 Ų | 124 | 93.2 Ų | 93.2 | 66% | 0.663 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.6 | -48 | 176.1 | -172 | 51.7 | 0 | 0 | 0 | 111.4 | G100 S106 G107 D108 | G100-D104 PolarHBondContact O-N 3.49Å; D104-S106 PolarHBondContact O-N 2.97Å; D104-G107 PolarHBondContact O-N 3.24Å; D104-D108 PolarHBondContact O-N 2.87Å |
| 105 | K | 91.2 | Very high | 89.4 | Confident | 133 Ų | 133 | 90.3 Ų | 90.3 | 58% | 0.578 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -58.7 | -47.4 | 173.8 | -71.3 | 170.8 | -175.8 | 170.8 | 0 | 112 | S101 G107 D108 D109 | S101-K105 VanDerWaalsContact O-CG 3.3Å; S101-K105 WeakPolarHBondContact O-CG 3.4Å; S101-K105 PolarHBondContact O-N 3.42Å; S101-K105 VanDerWaalsContact O-N 3.16Å; K105-G107 VanDerWaalsContact C-N 3.32Å; K105-G107 PolarHBondContact O-N 3.49Å; K105-D108 PolarHBondContact O-N 3.06Å; K105-D109 PolarHBondContact O-N 2.98Å |
| 106 | S | 89.7 | Confident | 90.6 | Very high | 58 Ų | 58 | 90.2 Ų | 90.2 | 41% | 0.406 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 176.5 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | M102 L103 D104 D109 I110 | M102-S106 VanDerWaalsContact O-CB 3.22Å; M102-S106 WeakPolarHBondContact O-CB 3.35Å; M102-S106 PolarHBondContact O-N 3.36Å; L103-S106 PolarHBondContact O-N 3.38Å; D104-S106 PolarHBondContact O-N 2.97Å; S106-D109 PolarHBondContact O-N 3.37Å; S106-I110 WeakPolarHBondContact O-CB 3.48Å; S106-I110 WeakPolarHBondContact O-CD1 3.47Å; S106-I110 WeakPolarHBondContact O-CG1 3.5Å; S106-I110 PolarHBondContact O-N 3.19Å |
| 107 | G | 92.8 | Very high | 91.6 | Very high | 37 Ų | 37 | 93.9 Ų | 93.9 | 38% | 0.381 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L103 D104 K105 I110 Y111 | L103-G107 PolarHBondContact O-N 2.89Å; D104-G107 PolarHBondContact O-N 3.24Å; K105-G107 VanDerWaalsContact C-N 3.32Å; K105-G107 PolarHBondContact O-N 3.49Å; G107-I110 PolarHBondContact O-N 3.37Å; G107-Y111 WeakPolarHBondContact O-CB 3.42Å; G107-Y111 PolarHBondContact O-N 3.27Å |
| 108 | D | 93.5 | Very high | 92.5 | Very high | 75 Ų | 75 | 92.8 Ų | 92.8 | 40% | 0.401 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 175.5 | -172.3 | 34.1 | 0 | 0 | 0 | 111.8 | D104 K105 Y111 K112 | D104-D108 PolarHBondContact O-N 2.87Å; K105-D108 PolarHBondContact O-N 3.06Å; D108-Y111 PolarHBondContact O-N 3.25Å; D108-K112 VanDerWaalsContact CG-CE 3.46Å; D108-K112 WeakPolarHBondContact O-CB 3.46Å; D108-K112 WeakPolarHBondContact O-CG 3.4Å; D108-K112 PolarHBondContact O-N 3.18Å; D108-K112 VanDerWaalsContact OD1-CE 3.32Å; D108-K112 WeakPolarHBondContact OD1-CE 3.43Å; D108-K112 IonicContact OD1-NZ 2.62Å; D108-K112 WeakPolarHBondContact OD2-CE 3.33Å; D108-K112 IonicContact OD2-NZ 2.86Å; D108-K112 PolarHBondContact OD2-NZ 3.41Å |
| 109 | D | 94.6 | Very high | 93.2 | Very high | 93 Ų | 93 | 92.9 Ų | 92.9 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 176.3 | -72.8 | -19.1 | 0 | 0 | 0 | 112 | K105 S106 T113 | K105-D109 PolarHBondContact O-N 2.98Å; S106-D109 PolarHBondContact O-N 3.37Å; D109-T113 VanDerWaalsContact O-CB 3.3Å; D109-T113 WeakPolarHBondContact O-CB 3.38Å; D109-T113 PolarHBondContact O-N 3.02Å; D109-T113 PolarHBondContact O-OG1 2.94Å |
| 110 | I | 95.6 | Very high | 93.8 | Very high | 95 Ų | 95 | 97.1 Ų | 97.1 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 172.6 | -69.4 | 163.2 | 0 | 0 | 0 | 110 | S106 G107 T113 L114 | S106-I110 WeakPolarHBondContact O-CB 3.48Å; S106-I110 WeakPolarHBondContact O-CD1 3.47Å; S106-I110 WeakPolarHBondContact O-CG1 3.5Å; S106-I110 PolarHBondContact O-N 3.19Å; G107-I110 PolarHBondContact O-N 3.37Å; I110-T113 PolarHBondContact O-N 2.93Å; I110-L114 HydrophobicContact CG2-CD1 3.82Å; I110-L114 HydrophobicContact CG2-CG 4.3Å; I110-L114 WeakPolarHBondContact O-CB 3.43Å; I110-L114 VanDerWaalsContact O-CG 3.29Å; I110-L114 WeakPolarHBondContact O-CG 3.42Å; I110-L114 PolarHBondContact O-N 3Å |
| 111 | Y | 96.6 | Very high | 94.4 | Very high | 143 Ų | 143 | 99.1 Ų | 99.1 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.4 | -48.2 | 179.9 | 177.4 | -93.6 | 0 | 0 | 0 | 111.9 | G107 D108 T113 L114 H115 | G107-Y111 WeakPolarHBondContact O-CB 3.42Å; G107-Y111 PolarHBondContact O-N 3.27Å; D108-Y111 PolarHBondContact O-N 3.25Å; Y111-T113 PolarHBondContact O-N 3.28Å; Y111-L114 PolarHBondContact O-N 3.29Å; Y111-H115 WeakPolarHBondContact O-CB 3.41Å; Y111-H115 PolarHBondContact O-N 3.4Å |
| 112 | K | 96.6 | Very high | 95 | Very high | 100 Ų | 100 | 101.6 Ų | 101.6 | 44% | 0.435 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 176.9 | -73.3 | 171.3 | -171 | 157.5 | 0 | 111.5 | D108 L114 H115 I116 | D108-K112 VanDerWaalsContact CG-CE 3.46Å; D108-K112 WeakPolarHBondContact O-CB 3.46Å; D108-K112 WeakPolarHBondContact O-CG 3.4Å; D108-K112 PolarHBondContact O-N 3.18Å; D108-K112 VanDerWaalsContact OD1-CE 3.32Å; D108-K112 WeakPolarHBondContact OD1-CE 3.43Å; D108-K112 IonicContact OD1-NZ 2.62Å; D108-K112 WeakPolarHBondContact OD2-CE 3.33Å; D108-K112 IonicContact OD2-NZ 2.86Å; D108-K112 PolarHBondContact OD2-NZ 3.41Å; K112-L114 PolarHBondContact O-N 3.36Å; K112-H115 WeakPolarHBondContact O-CB 3.45Å; K112-H115 PolarHBondContact O-N 3.06Å; K112-I116 WeakPolarHBondContact O-CG1 3.32Å; K112-I116 PolarHBondContact O-N 3.3Å |
| 113 | T | 97 | Very high | 95.5 | Very high | 93 Ų | 93 | 100.6 Ų | 100.6 | 57% | 0.571 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.4 | -46.9 | 179.1 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | D109 I110 Y111 H115 I116 K117 | D109-T113 VanDerWaalsContact O-CB 3.3Å; D109-T113 WeakPolarHBondContact O-CB 3.38Å; D109-T113 PolarHBondContact O-N 3.02Å; D109-T113 PolarHBondContact O-OG1 2.94Å; I110-T113 PolarHBondContact O-N 2.93Å; Y111-T113 PolarHBondContact O-N 3.28Å; T113-H115 VanDerWaalsContact C-N 3.33Å; T113-H115 PolarHBondContact O-N 2.95Å; T113-I116 PolarHBondContact O-N 2.95Å; T113-K117 WeakPolarHBondContact O-CB 3.34Å; T113-K117 PolarHBondContact O-N 3.06Å |
| 114 | L | 97.2 | Very high | 95.8 | Very high | 95 Ų | 95 | 101.8 Ų | 101.8 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -36.9 | 176.3 | -71.2 | 176.4 | 0 | 0 | 0 | 112.4 | I110 Y111 K112 R118 | I110-L114 HydrophobicContact CG2-CD1 3.82Å; I110-L114 HydrophobicContact CG2-CG 4.3Å; I110-L114 WeakPolarHBondContact O-CB 3.43Å; I110-L114 VanDerWaalsContact O-CG 3.29Å; I110-L114 WeakPolarHBondContact O-CG 3.42Å; I110-L114 PolarHBondContact O-N 3Å; Y111-L114 PolarHBondContact O-N 3.29Å; K112-L114 PolarHBondContact O-N 3.36Å; L114-R118 WeakPolarHBondContact O-CB 3.49Å; L114-R118 PolarHBondContact O-N 3.43Å |
| 115 | H | 97 | Very high | 96.1 | Very high | 71 Ų | 71 | 100.3 Ų | 100.3 | 33% | 0.329 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65 | -46.3 | 177.1 | -167 | 87.5 | 0 | 0 | 0 | 111.8 | Y111 K112 T113 R118 K119 | Y111-H115 WeakPolarHBondContact O-CB 3.41Å; Y111-H115 PolarHBondContact O-N 3.4Å; K112-H115 WeakPolarHBondContact O-CB 3.45Å; K112-H115 PolarHBondContact O-N 3.06Å; T113-H115 VanDerWaalsContact C-N 3.33Å; T113-H115 PolarHBondContact O-N 2.95Å; H115-R118 PolarHBondContact O-N 3.48Å; H115-K119 WeakPolarHBondContact O-CG 3.43Å; H115-K119 PolarHBondContact O-N 2.87Å |
| 116 | I | 97.2 | Very high | 96.4 | Very high | 120 Ų | 120 | 101 Ų | 101 | 62% | 0.615 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.7 | -48.7 | 175.7 | -67.3 | 165 | 0 | 0 | 0 | 110.2 | K112 T113 R118 K119 W120 | K112-I116 WeakPolarHBondContact O-CG1 3.32Å; K112-I116 PolarHBondContact O-N 3.3Å; T113-I116 PolarHBondContact O-N 2.95Å; I116-R118 VanDerWaalsContact C-N 3.31Å; I116-R118 PolarHBondContact O-N 3.42Å; I116-K119 PolarHBondContact O-N 3.36Å; I116-K119 VanDerWaalsContact O-N 3.14Å; I116-W120 PolarHBondContact O-N 3.42Å |
| 117 | K | 98.2 | Very high | 96.7 | Very high | 120 Ų | 120 | 102.9 Ų | 102.9 | 52% | 0.522 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.3 | -42.4 | 178 | -173.3 | 171.8 | -171.5 | -77.4 | 0 | 111.9 | T113 M121 | T113-K117 WeakPolarHBondContact O-CB 3.34Å; T113-K117 PolarHBondContact O-N 3.06Å; K117-M121 HydrophobicContact CG-CE 4.29Å; K117-M121 WeakPolarHBondContact O-CG 3.46Å; K117-M121 PolarHBondContact O-N 3.1Å |
| 118 | R | 98.1 | Very high | 96.9 | Very high | 121 Ų | 121 | 103.5 Ų | 103.5 | 46% | 0.457 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.6 | -48.6 | 174.8 | -175 | -172.8 | -59.5 | 142.8 | 4.1 | 111.3 | L114 H115 I116 W120 M121 E122 | L114-R118 WeakPolarHBondContact O-CB 3.49Å; L114-R118 PolarHBondContact O-N 3.43Å; H115-R118 PolarHBondContact O-N 3.48Å; I116-R118 VanDerWaalsContact C-N 3.31Å; I116-R118 PolarHBondContact O-N 3.42Å; R118-W120 VanDerWaalsContact C-N 3.34Å; R118-W120 PolarHBondContact O-N 2.94Å; R118-M121 PolarHBondContact O-N 2.95Å; R118-E122 HydrophobicContact CG-CG 4.4Å; R118-E122 WeakPolarHBondContact CG-OE1 3.45Å; R118-E122 WeakPolarHBondContact O-CB 3.27Å; R118-E122 WeakPolarHBondContact O-CG 3.34Å; R118-E122 PolarHBondContact O-N 2.87Å |
| 119 | K | 98.2 | Very high | 97 | Very high | 102 Ų | 102 | 106.3 Ų | 106.3 | 44% | 0.443 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | -179.9 | -76.2 | -71.1 | 165.5 | -147.3 | 0 | 112.9 | H115 I116 E122 T123 | H115-K119 WeakPolarHBondContact O-CG 3.43Å; H115-K119 PolarHBondContact O-N 2.87Å; I116-K119 PolarHBondContact O-N 3.36Å; I116-K119 VanDerWaalsContact O-N 3.14Å; K119-E122 IonicContact NZ-OE2 3.8Å; K119-E122 PolarHBondContact NZ-OE2 3.36Å; K119-T123 WeakPolarHBondContact O-CB 3.41Å; K119-T123 PolarHBondContact O-N 2.9Å; K119-T123 PolarHBondContact O-OG1 3.4Å |
| 120 | W | 97.8 | Very high | 97.1 | Very high | 168 Ų | 168 | 108 Ų | 108 | 64% | 0.636 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.7 | -48.9 | 173.8 | 177.4 | 83.3 | 0 | 0 | 0 | 111.4 | I116 R118 E122 T123 Y124 | I116-W120 PolarHBondContact O-N 3.42Å; R118-W120 VanDerWaalsContact C-N 3.34Å; R118-W120 PolarHBondContact O-N 2.94Å; W120-E122 PolarHBondContact O-N 3.36Å; W120-T123 PolarHBondContact O-N 3.4Å; W120-Y124 WeakPolarHBondContact O-CB 3.36Å; W120-Y124 PolarHBondContact O-N 3.45Å |
| 121 | M | 98.2 | Very high | 97.2 | Very high | 77 Ų | 77 | 105.2 Ų | 105.2 | 38% | 0.379 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 177.8 | -70.1 | -175.1 | -54.9 | 0 | 0 | 112.6 | K117 R118 T123 Y124 V125 | K117-M121 HydrophobicContact CG-CE 4.29Å; K117-M121 WeakPolarHBondContact O-CG 3.46Å; K117-M121 PolarHBondContact O-N 3.1Å; R118-M121 PolarHBondContact O-N 2.95Å; M121-T123 VanDerWaalsContact C-N 3.29Å; M121-T123 PolarHBondContact O-N 2.9Å; M121-Y124 PolarHBondContact O-N 3.44Å; M121-V125 WeakPolarHBondContact O-CB 3.46Å; M121-V125 VanDerWaalsContact O-CG2 3.31Å; M121-V125 WeakPolarHBondContact O-CG2 3.3Å; M121-V125 PolarHBondContact O-N 3.12Å |
| 122 | E | 97.6 | Very high | 97.2 | Very high | 91 Ų | 91 | 102 Ų | 102 | 43% | 0.425 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.3 | -45.2 | 176.2 | -77.5 | 172.5 | -173.5 | 0 | 0 | 111.2 | R118 K119 W120 K126 | R118-E122 HydrophobicContact CG-CG 4.4Å; R118-E122 WeakPolarHBondContact CG-OE1 3.45Å; R118-E122 WeakPolarHBondContact O-CB 3.27Å; R118-E122 WeakPolarHBondContact O-CG 3.34Å; R118-E122 PolarHBondContact O-N 2.87Å; K119-E122 IonicContact NZ-OE2 3.8Å; K119-E122 PolarHBondContact NZ-OE2 3.36Å; W120-E122 PolarHBondContact O-N 3.36Å; E122-K126 VanDerWaalsContact O-CB 3.28Å; E122-K126 WeakPolarHBondContact O-CB 3.43Å; E122-K126 PolarHBondContact O-N 2.98Å |
| 123 | T | 97.2 | Very high | 97.1 | Very high | 80 Ų | 80 | 100.4 Ų | 100.4 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.6 | -47 | 179.8 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | K119 W120 M121 V125 K126 E127 | K119-T123 WeakPolarHBondContact O-CB 3.41Å; K119-T123 PolarHBondContact O-N 2.9Å; K119-T123 PolarHBondContact O-OG1 3.4Å; W120-T123 PolarHBondContact O-N 3.4Å; M121-T123 VanDerWaalsContact C-N 3.29Å; M121-T123 PolarHBondContact O-N 2.9Å; T123-V125 PolarHBondContact O-N 3.26Å; T123-K126 PolarHBondContact O-N 3.29Å; T123-E127 HydrophobicContact CG2-CG 4.48Å; T123-E127 PolarHBondContact O-N 3.49Å |
| 124 | Y | 97 | Very high | 97.2 | Very high | 142 Ų | 142 | 101 Ų | 101 | 56% | 0.557 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -56.8 | -48.7 | 177.6 | 174 | -97 | 0 | 0 | 0 | 111.8 | W120 M121 K126 E127 S128 | W120-Y124 WeakPolarHBondContact O-CB 3.36Å; W120-Y124 PolarHBondContact O-N 3.45Å; M121-Y124 PolarHBondContact O-N 3.44Å; Y124-K126 VanDerWaalsContact C-N 3.34Å; Y124-K126 PolarHBondContact O-N 3.01Å; Y124-E127 PolarHBondContact O-N 3.24Å; Y124-S128 WeakPolarHBondContact O-CB 3.45Å; Y124-S128 PolarHBondContact O-N 3.45Å; Y124-S128 PolarHBondContact O-OG 2.97Å |
| 125 | V | 97.5 | Very high | 97.2 | Very high | 92 Ų | 92 | 103.7 Ų | 103.7 | 56% | 0.558 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.4 | -42.7 | 178 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | M121 T123 S128 F129 | M121-V125 WeakPolarHBondContact O-CB 3.46Å; M121-V125 VanDerWaalsContact O-CG2 3.31Å; M121-V125 WeakPolarHBondContact O-CG2 3.3Å; M121-V125 PolarHBondContact O-N 3.12Å; T123-V125 PolarHBondContact O-N 3.26Å; V125-S128 PolarHBondContact O-N 2.9Å; V125-F129 VanDerWaalsContact O-CB 3.28Å; V125-F129 WeakPolarHBondContact O-CB 3.34Å; V125-F129 PolarHBondContact O-N 3.26Å |
| 126 | K | 97.2 | Very high | 97.2 | Very high | 147 Ų | 147 | 105.1 Ų | 105.1 | 64% | 0.639 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.4 | -48.5 | 179.8 | -176.7 | -177.9 | 177.2 | -173.6 | 0 | 112.2 | E122 T123 Y124 F129 K130 | E122-K126 VanDerWaalsContact O-CB 3.28Å; E122-K126 WeakPolarHBondContact O-CB 3.43Å; E122-K126 PolarHBondContact O-N 2.98Å; T123-K126 PolarHBondContact O-N 3.29Å; Y124-K126 VanDerWaalsContact C-N 3.34Å; Y124-K126 PolarHBondContact O-N 3.01Å; K126-F129 PolarHBondContact O-N 2.87Å; K126-K130 WeakPolarHBondContact O-CB 3.44Å; K126-K130 PolarHBondContact O-N 2.94Å |
| 127 | E | 96.8 | Very high | 97.2 | Very high | 98 Ų | 98 | 104.4 Ų | 104.4 | 46% | 0.458 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.8 | -39.9 | 178.9 | -66.8 | -53.8 | 136 | 0 | 0 | 111.5 | T123 Y124 F129 K130 G131 | T123-E127 HydrophobicContact CG2-CG 4.48Å; T123-E127 PolarHBondContact O-N 3.49Å; Y124-E127 PolarHBondContact O-N 3.24Å; E127-F129 PolarHBondContact O-N 2.93Å; E127-K130 PolarHBondContact O-N 3.28Å; E127-K130 IonicContact OE2-NZ 4Å; E127-G131 PolarHBondContact O-N 3.47Å |
| 128 | S | 96.3 | Very high | 97.2 | Very high | 50 Ų | 50 | 105.8 Ų | 105.8 | 35% | 0.35 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 174.4 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | Y124 V125 S132 | Y124-S128 WeakPolarHBondContact O-CB 3.45Å; Y124-S128 PolarHBondContact O-N 3.45Å; Y124-S128 PolarHBondContact O-OG 2.97Å; V125-S128 PolarHBondContact O-N 2.9Å; S128-S132 WeakPolarHBondContact O-CB 3.44Å; S128-S132 PolarHBondContact O-N 3.07Å |
| 129 | F | 95.7 | Very high | 97.2 | Very high | 134 Ų | 134 | 106.5 Ų | 106.5 | 59% | 0.588 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.7 | -42.8 | 178.4 | -174.9 | -109 | 0 | 0 | 0 | 111.8 | V125 K126 E127 N133 | V125-F129 VanDerWaalsContact O-CB 3.28Å; V125-F129 WeakPolarHBondContact O-CB 3.34Å; V125-F129 PolarHBondContact O-N 3.26Å; K126-F129 PolarHBondContact O-N 2.87Å; E127-F129 PolarHBondContact O-N 2.93Å; F129-N133 WeakPolarHBondContact CD1-ND2 3.45Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.34Å; F129-N133 WeakPolarHBondContact CZ-ND2 3.22Å; F129-N133 VanDerWaalsContact O-CB 3.31Å; F129-N133 WeakPolarHBondContact O-CB 3.36Å; F129-N133 VanDerWaalsContact O-CG 3.24Å; F129-N133 PolarHBondContact O-N 3.46Å; F129-N133 PolarHBondContact O-ND2 2.92Å |
| 130 | K | 96.9 | Very high | 97.2 | Very high | 130 Ų | 130 | 104.1 Ų | 104.1 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.3 | -49.9 | 177.3 | -176.5 | -173.5 | 174.1 | -167.1 | 0 | 111.9 | K126 E127 N133 Q134 | K126-K130 WeakPolarHBondContact O-CB 3.44Å; K126-K130 PolarHBondContact O-N 2.94Å; E127-K130 PolarHBondContact O-N 3.28Å; E127-K130 IonicContact OE2-NZ 4Å; K130-N133 PolarHBondContact O-N 3.48Å; K130-Q134 WeakPolarHBondContact O-CB 3.34Å; K130-Q134 PolarHBondContact O-N 2.91Å |
| 131 | G | 96.2 | Very high | 97.2 | Very high | 36 Ų | 36 | 101.2 Ų | 101.2 | 37% | 0.371 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E127 Q134 K135 | E127-G131 PolarHBondContact O-N 3.47Å; G131-Q134 PolarHBondContact O-N 3.39Å; G131-K135 PolarHBondContact O-N 2.75Å |
| 132 | S | 96.7 | Very high | 97.2 | Very high | 75 Ų | 75 | 100.1 Ų | 100.1 | 52% | 0.524 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -46.8 | 177 | -173.3 | 0 | 0 | 0 | 0 | 112 | S128 Q134 K135 L136 | S128-S132 WeakPolarHBondContact O-CB 3.44Å; S128-S132 PolarHBondContact O-N 3.07Å; S132-Q134 PolarHBondContact O-N 3.45Å; S132-K135 WeakPolarHBondContact O-CB 3.49Å; S132-K135 PolarHBondContact O-N 2.95Å; S132-L136 PolarHBondContact O-N 2.92Å |
| 133 | N | 96.1 | Very high | 97.2 | Very high | 66 Ų | 66 | 98.9 Ų | 98.9 | 35% | 0.353 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 177.8 | -76.3 | -13.2 | 0 | 0 | 0 | 112.7 | F129 K130 K135 L136 E137 | F129-N133 WeakPolarHBondContact CD1-ND2 3.45Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.34Å; F129-N133 WeakPolarHBondContact CZ-ND2 3.22Å; F129-N133 VanDerWaalsContact O-CB 3.31Å; F129-N133 WeakPolarHBondContact O-CB 3.36Å; F129-N133 VanDerWaalsContact O-CG 3.24Å; F129-N133 PolarHBondContact O-N 3.46Å; F129-N133 PolarHBondContact O-ND2 2.92Å; K130-N133 PolarHBondContact O-N 3.48Å; N133-K135 VanDerWaalsContact C-N 3.3Å; N133-K135 PolarHBondContact O-N 3.25Å; N133-L136 PolarHBondContact O-N 3.32Å; N133-E137 WeakPolarHBondContact O-CB 3.47Å; N133-E137 PolarHBondContact O-N 3.4Å |
| 134 | Q | 97.7 | Very high | 97.3 | Very high | 106 Ų | 106 | 101.2 Ų | 101.2 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -36.9 | 176.3 | -170.4 | -174.4 | 16.8 | 0 | 0 | 111.8 | K130 G131 S132 R138 | K130-Q134 WeakPolarHBondContact O-CB 3.34Å; K130-Q134 PolarHBondContact O-N 2.91Å; G131-Q134 PolarHBondContact O-N 3.39Å; S132-Q134 PolarHBondContact O-N 3.45Å; Q134-R138 WeakPolarHBondContact O-CG 3.35Å; Q134-R138 PolarHBondContact O-N 3.34Å; Q134-R138 VanDerWaalsContact O-N 3.14Å; Q134-R138 PolarHBondContact O-NE 3.39Å |
| 135 | K | 97.5 | Very high | 97.3 | Very high | 151 Ų | 151 | 101.9 Ų | 101.9 | 66% | 0.657 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.4 | -46.3 | 173.9 | -173.9 | 175.9 | -178.1 | 176.2 | 0 | 111 | G131 S132 N133 R138 F139 | G131-K135 PolarHBondContact O-N 2.75Å; S132-K135 WeakPolarHBondContact O-CB 3.49Å; S132-K135 PolarHBondContact O-N 2.95Å; N133-K135 VanDerWaalsContact C-N 3.3Å; N133-K135 PolarHBondContact O-N 3.25Å; K135-R138 PolarHBondContact O-N 3.46Å; K135-F139 WeakPolarHBondContact O-CB 3.21Å; K135-F139 PolarHBondContact O-N 2.97Å |
| 136 | L | 97.5 | Very high | 97.4 | Very high | 101 Ų | 101 | 102.6 Ų | 102.6 | 53% | 0.529 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 177.6 | -179.1 | 61.2 | 0 | 0 | 0 | 111.6 | S132 N133 R138 F139 C140 | S132-L136 PolarHBondContact O-N 2.92Å; N133-L136 PolarHBondContact O-N 3.32Å; L136-R138 PolarHBondContact O-N 3.37Å; L136-F139 WeakPolarHBondContact O-CB 3.5Å; L136-F139 PolarHBondContact O-N 3.03Å; L136-C140 WeakPolarHBondContact O-CB 3.38Å; L136-C140 PolarHBondContact O-N 3.21Å; L136-C140 PolarHBondContact O-SG 3.4Å |
| 137 | E | 96.8 | Very high | 97.4 | Very high | 105 Ų | 105 | 101.3 Ų | 101.3 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 178.5 | -171.7 | -171.4 | 171.5 | 0 | 0 | 111.8 | N133 C140 K141 | N133-E137 WeakPolarHBondContact O-CB 3.47Å; N133-E137 PolarHBondContact O-N 3.4Å; E137-C140 PolarHBondContact O-N 3.39Å; E137-K141 HydrophobicContact CG-CD 4.21Å; E137-K141 WeakPolarHBondContact O-CB 3.39Å; E137-K141 WeakPolarHBondContact O-CG 3.49Å; E137-K141 PolarHBondContact O-N 2.87Å; E137-K141 WeakPolarHBondContact OE1-CE 3.14Å; E137-K141 IonicContact OE1-NZ 2.62Å; E137-K141 PolarHBondContact OE1-NZ 2.87Å |
| 138 | R | 98.3 | Very high | 97.5 | Very high | 150 Ų | 150 | 103.2 Ų | 103.2 | 57% | 0.566 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.6 | -46.4 | 175.1 | -76.8 | -174.3 | -73 | -179.3 | -2.4 | 111.5 | Q134 K135 L136 K141 T142 | Q134-R138 WeakPolarHBondContact O-CG 3.35Å; Q134-R138 PolarHBondContact O-N 3.34Å; Q134-R138 VanDerWaalsContact O-N 3.14Å; Q134-R138 PolarHBondContact O-NE 3.39Å; K135-R138 PolarHBondContact O-N 3.46Å; L136-R138 PolarHBondContact O-N 3.37Å; R138-K141 PolarHBondContact O-N 3.47Å; R138-T142 WeakPolarHBondContact O-CB 3.33Å; R138-T142 PolarHBondContact O-N 3.09Å; R138-T142 PolarHBondContact O-OG1 3.3Å |
| 139 | F | 97.7 | Very high | 97.6 | Very high | 136 Ų | 136 | 104.7 Ų | 104.7 | 60% | 0.596 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.6 | -49.6 | 177.6 | 175.9 | -98.3 | 0 | 0 | 0 | 111.7 | K135 L136 K141 T142 N143 | K135-F139 WeakPolarHBondContact O-CB 3.21Å; K135-F139 PolarHBondContact O-N 2.97Å; L136-F139 WeakPolarHBondContact O-CB 3.5Å; L136-F139 PolarHBondContact O-N 3.03Å; F139-K141 PolarHBondContact O-N 2.9Å; F139-T142 PolarHBondContact O-N 2.76Å; F139-N143 VanDerWaalsContact O-CB 3.32Å; F139-N143 WeakPolarHBondContact O-CB 3.36Å; F139-N143 PolarHBondContact O-N 2.89Å |
| 140 | C | 98.2 | Very high | 97.7 | Very high | 51 Ų | 51 | 103.8 Ų | 103.8 | 35% | 0.345 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.9 | -48.4 | 177.9 | -71.2 | 0 | 0 | 0 | 0 | 111.7 | L136 E137 T142 N143 E144 | L136-C140 WeakPolarHBondContact O-CB 3.38Å; L136-C140 PolarHBondContact O-N 3.21Å; L136-C140 PolarHBondContact O-SG 3.4Å; E137-C140 PolarHBondContact O-N 3.39Å; C140-T142 PolarHBondContact O-N 3.33Å; C140-N143 PolarHBondContact O-N 3.33Å; C140-E144 WeakPolarHBondContact O-CB 3.45Å; C140-E144 VanDerWaalsContact O-CG 3.32Å; C140-E144 WeakPolarHBondContact O-CG 3.44Å; C140-E144 PolarHBondContact O-N 3.23Å |
| 141 | K | 98.2 | Very high | 97.7 | Very high | 107 Ų | 107 | 101.9 Ų | 101.9 | 47% | 0.465 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61 | -41.5 | 178.4 | -76.1 | 174.4 | 171.8 | 173.5 | 0 | 112.8 | E137 R138 F139 R145 | E137-K141 HydrophobicContact CG-CD 4.21Å; E137-K141 WeakPolarHBondContact O-CB 3.39Å; E137-K141 WeakPolarHBondContact O-CG 3.49Å; E137-K141 PolarHBondContact O-N 2.87Å; E137-K141 WeakPolarHBondContact OE1-CE 3.14Å; E137-K141 IonicContact OE1-NZ 2.62Å; E137-K141 PolarHBondContact OE1-NZ 2.87Å; R138-K141 PolarHBondContact O-N 3.47Å; F139-K141 PolarHBondContact O-N 2.9Å; K141-R145 WeakPolarHBondContact O-CB 3.31Å; K141-R145 PolarHBondContact O-N 3.28Å; K141-R145 VanDerWaalsContact O-N 3.13Å |
| 142 | T | 98.1 | Very high | 97.8 | Very high | 55 Ų | 55 | 103.5 Ų | 103.5 | 34% | 0.337 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -48.5 | 177 | -67.9 | 0 | 0 | 0 | 0 | 111 | R138 F139 C140 E144 R145 E146 | R138-T142 WeakPolarHBondContact O-CB 3.33Å; R138-T142 PolarHBondContact O-N 3.09Å; R138-T142 PolarHBondContact O-OG1 3.3Å; F139-T142 PolarHBondContact O-N 2.76Å; C140-T142 PolarHBondContact O-N 3.33Å; T142-E144 VanDerWaalsContact C-N 3.34Å; T142-E144 PolarHBondContact O-N 3.42Å; T142-R145 WeakPolarHBondContact O-CB 3.47Å; T142-R145 PolarHBondContact O-N 3.36Å; T142-R145 VanDerWaalsContact O-N 3.12Å; T142-E146 WeakPolarHBondContact O-CG 3.32Å; T142-E146 PolarHBondContact O-N 3.01Å |
| 143 | N | 97.9 | Very high | 97.9 | Very high | 64 Ų | 64 | 105.6 Ų | 105.6 | 34% | 0.342 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 177.8 | 176.1 | 63.8 | 0 | 0 | 0 | 112.3 | F139 C140 R145 E146 R147 | F139-N143 VanDerWaalsContact O-CB 3.32Å; F139-N143 WeakPolarHBondContact O-CB 3.36Å; F139-N143 PolarHBondContact O-N 2.89Å; C140-N143 PolarHBondContact O-N 3.33Å; N143-R145 VanDerWaalsContact C-N 3.35Å; N143-R145 PolarHBondContact O-N 3.43Å; N143-E146 PolarHBondContact O-N 3.3Å; N143-R147 WeakPolarHBondContact O-CB 3.41Å; N143-R147 WeakPolarHBondContact O-CG 3.37Å; N143-R147 PolarHBondContact O-N 3.03Å |
| 144 | E | 98.2 | Very high | 97.9 | Very high | 129 Ų | 129 | 107.4 Ų | 107.4 | 60% | 0.603 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.7 | -43.1 | 174.2 | -77.3 | 174.6 | -174 | 0 | 0 | 112.3 | C140 T142 K148 | C140-E144 WeakPolarHBondContact O-CB 3.45Å; C140-E144 VanDerWaalsContact O-CG 3.32Å; C140-E144 WeakPolarHBondContact O-CG 3.44Å; C140-E144 PolarHBondContact O-N 3.23Å; T142-E144 VanDerWaalsContact C-N 3.34Å; T142-E144 PolarHBondContact O-N 3.42Å; E144-K148 WeakPolarHBondContact O-CB 3.46Å; E144-K148 PolarHBondContact O-N 3.42Å |
| 145 | R | 98.3 | Very high | 98 | Very high | 156 Ų | 156 | 104.8 Ų | 104.8 | 59% | 0.589 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.7 | -44.9 | 177.9 | -169.5 | -171 | -55.5 | 114.1 | 3.5 | 111.5 | K141 T142 N143 K148 N149 | K141-R145 WeakPolarHBondContact O-CB 3.31Å; K141-R145 PolarHBondContact O-N 3.28Å; K141-R145 VanDerWaalsContact O-N 3.13Å; T142-R145 WeakPolarHBondContact O-CB 3.47Å; T142-R145 PolarHBondContact O-N 3.36Å; T142-R145 VanDerWaalsContact O-N 3.12Å; N143-R145 VanDerWaalsContact C-N 3.35Å; N143-R145 PolarHBondContact O-N 3.43Å; R145-K148 PolarHBondContact O-N 3.38Å; R145-N149 WeakPolarHBondContact O-CB 3.45Å; R145-N149 PolarHBondContact O-N 3.38Å |
| 146 | E | 98.3 | Very high | 98 | Very high | 108 Ų | 108 | 103.7 Ų | 103.7 | 51% | 0.505 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 178.4 | -73.4 | 175.9 | 178.8 | 0 | 0 | 111.6 | T142 N143 K148 N149 I150 | T142-E146 WeakPolarHBondContact O-CG 3.32Å; T142-E146 PolarHBondContact O-N 3.01Å; N143-E146 PolarHBondContact O-N 3.3Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 PolarHBondContact O-N 3.2Å; E146-N149 WeakPolarHBondContact O-CB 3.42Å; E146-N149 PolarHBondContact O-N 2.91Å; E146-N149 VanDerWaalsContact O-N 3.16Å; E146-I150 WeakPolarHBondContact O-CG1 3.35Å; E146-I150 PolarHBondContact O-N 3.49Å |
| 147 | R | 98.4 | Very high | 98 | Very high | 119 Ų | 119 | 104.8 Ų | 104.8 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.9 | -43.2 | 175.3 | -74.2 | -175.1 | 68.1 | 134 | 0.1 | 111.9 | N143 I150 N151 | N143-R147 WeakPolarHBondContact O-CB 3.41Å; N143-R147 WeakPolarHBondContact O-CG 3.37Å; N143-R147 PolarHBondContact O-N 3.03Å; R147-I150 PolarHBondContact O-N 3.39Å; R147-N151 VanDerWaalsContact O-CB 3.31Å; R147-N151 WeakPolarHBondContact O-CB 3.48Å; R147-N151 PolarHBondContact O-N 2.95Å |
| 148 | K | 98.3 | Very high | 98.1 | Very high | 138 Ų | 138 | 105.4 Ų | 105.4 | 60% | 0.6 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.9 | -43.2 | 175.9 | -175 | 177 | 179.4 | 178.7 | 0 | 111.6 | E144 R145 E146 N151 N152 | E144-K148 WeakPolarHBondContact O-CB 3.46Å; E144-K148 PolarHBondContact O-N 3.42Å; R145-K148 PolarHBondContact O-N 3.38Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 PolarHBondContact O-N 3.2Å; K148-N151 PolarHBondContact O-N 2.88Å; K148-N152 WeakPolarHBondContact O-CB 3.32Å; K148-N152 PolarHBondContact O-N 3.16Å; K148-N152 PolarHBondContact O-OD1 2.84Å |
| 149 | N | 98.3 | Very high | 98 | Very high | 81 Ų | 81 | 102.8 Ų | 102.8 | 43% | 0.433 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 177.9 | -177.4 | 50.6 | 0 | 0 | 0 | 111.9 | R145 E146 N152 K153 | R145-N149 WeakPolarHBondContact O-CB 3.45Å; R145-N149 PolarHBondContact O-N 3.38Å; E146-N149 WeakPolarHBondContact O-CB 3.42Å; E146-N149 PolarHBondContact O-N 2.91Å; E146-N149 VanDerWaalsContact O-N 3.16Å; N149-N152 PolarHBondContact O-N 3.06Å; N149-K153 WeakPolarHBondContact O-CG 3.27Å; N149-K153 PolarHBondContact O-N 3.23Å |
| 150 | I | 97.8 | Very high | 98.1 | Very high | 115 Ų | 115 | 99.8 Ų | 99.8 | 59% | 0.59 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.2 | -47.5 | 176.9 | -67.2 | 165.6 | 0 | 0 | 0 | 110.5 | E146 R147 N152 K153 F154 | E146-I150 WeakPolarHBondContact O-CG1 3.35Å; E146-I150 PolarHBondContact O-N 3.49Å; R147-I150 PolarHBondContact O-N 3.39Å; I150-N152 VanDerWaalsContact C-N 3.35Å; I150-N152 PolarHBondContact O-N 2.96Å; I150-K153 PolarHBondContact O-N 3.13Å; I150-F154 PolarHBondContact O-N 2.94Å |
| 151 | N | 97.9 | Very high | 98.1 | Very high | 90 Ų | 90 | 101.9 Ų | 101.9 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60 | -44.4 | 178.5 | -176.3 | 80.1 | 0 | 0 | 0 | 111.9 | R147 K148 F154 C155 | R147-N151 VanDerWaalsContact O-CB 3.31Å; R147-N151 WeakPolarHBondContact O-CB 3.48Å; R147-N151 PolarHBondContact O-N 2.95Å; K148-N151 PolarHBondContact O-N 2.88Å; N151-F154 PolarHBondContact O-N 2.98Å; N151-C155 WeakPolarHBondContact O-CB 3.34Å; N151-C155 PolarHBondContact O-N 2.7Å; N151-C155 PolarHBondContact O-SG 2.8Å |
| 152 | N | 98.2 | Very high | 98.1 | Very high | 71 Ų | 71 | 103.3 Ų | 103.3 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61 | -47.4 | 177.9 | -74.3 | -0.2 | 0 | 0 | 0 | 111.8 | K148 N149 I150 F154 C155 E156 | K148-N152 WeakPolarHBondContact O-CB 3.32Å; K148-N152 PolarHBondContact O-N 3.16Å; K148-N152 PolarHBondContact O-OD1 2.84Å; N149-N152 PolarHBondContact O-N 3.06Å; I150-N152 VanDerWaalsContact C-N 3.35Å; I150-N152 PolarHBondContact O-N 2.96Å; N152-F154 VanDerWaalsContact C-N 3.28Å; N152-F154 PolarHBondContact O-N 2.99Å; N152-C155 PolarHBondContact O-N 2.75Å; N152-E156 WeakPolarHBondContact O-CB 3.42Å; N152-E156 WeakPolarHBondContact O-CG 3.48Å; N152-E156 PolarHBondContact O-N 3.3Å |
| 153 | K | 98.2 | Very high | 98.1 | Very high | 118 Ų | 118 | 106.9 Ų | 106.9 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.8 | -42.7 | 176.7 | -72.9 | 178.9 | 178.7 | -172.2 | 0 | 111.8 | N149 I150 E156 Q157 | N149-K153 WeakPolarHBondContact O-CG 3.27Å; N149-K153 PolarHBondContact O-N 3.23Å; I150-K153 PolarHBondContact O-N 3.13Å; K153-E156 PolarHBondContact O-N 2.72Å; K153-Q157 WeakPolarHBondContact O-CG 3.47Å; K153-Q157 PolarHBondContact O-N 3.03Å |
| 154 | F | 97 | Very high | 98.1 | Very high | 104 Ų | 104 | 110.1 Ų | 110.1 | 46% | 0.456 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.7 | -47.1 | 177.4 | -167.7 | -102.4 | 0 | 0 | 0 | 111.4 | I150 N151 N152 E156 Q157 Y158 | I150-F154 PolarHBondContact O-N 2.94Å; N151-F154 PolarHBondContact O-N 2.98Å; N152-F154 VanDerWaalsContact C-N 3.28Å; N152-F154 PolarHBondContact O-N 2.99Å; F154-E156 VanDerWaalsContact C-N 3.32Å; F154-E156 PolarHBondContact O-N 2.83Å; F154-Q157 PolarHBondContact O-N 3.11Å; F154-Y158 AromaticContact CD1-CD2 3.7Å; F154-Y158 HydrophobicContact CD1-CD2 3.7Å; F154-Y158 AromaticContact CD1-CE2 3.69Å; F154-Y158 HydrophobicContact CD1-CE2 3.69Å; F154-Y158 HydrophobicContact CD2-CD2 4.37Å; F154-Y158 HydrophobicContact CD2-CE2 4.05Å; F154-Y158 AromaticContact CE1-CD2 3.58Å; F154-Y158 HydrophobicContact CE1-CD2 3.58Å; F154-Y158 AromaticContact CE1-CE2 3.09Å; F154-Y158 HydrophobicContact CE1-CE2 3.09Å; F154-Y158 AromaticContact CE1-CZ 3.72Å; F154-Y158 HydrophobicContact CE2-CD2 4.27Å; F154-Y158 AromaticContact CE2-CE2 3.51Å; F154-Y158 HydrophobicContact CE2-CE2 3.51Å; F154-Y158 HydrophobicContact CG-CD2 4.14Å; F154-Y158 HydrophobicContact CG-CE2 4.15Å; F154-Y158 AromaticContact CZ-CD2 3.92Å; F154-Y158 HydrophobicContact CZ-CD2 3.92Å; F154-Y158 AromaticContact CZ-CE2 3.03Å; F154-Y158 HydrophobicContact CZ-CE2 3.03Å; F154-Y158 AromaticContact CZ-CZ 3.61Å; F154-Y158 WeakPolarHBondContact CZ-OH 3.42Å; F154-Y158 WeakPolarHBondContact O-CD2 3.32Å; F154-Y158 PolarHBondContact O-N 3.13Å |
| 155 | C | 98 | Very high | 98.1 | Very high | 51 Ų | 51 | 107 Ų | 107 | 35% | 0.345 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.2 | -44.3 | 175.1 | -70.6 | 0 | 0 | 0 | 0 | 112 | N151 N152 Y158 I159 | N151-C155 WeakPolarHBondContact O-CB 3.34Å; N151-C155 PolarHBondContact O-N 2.7Å; N151-C155 PolarHBondContact O-SG 2.8Å; N152-C155 PolarHBondContact O-N 2.75Å; C155-Y158 PolarHBondContact O-N 2.94Å; C155-I159 WeakPolarHBondContact O-CB 3.36Å; C155-I159 WeakPolarHBondContact O-CD1 3.49Å; C155-I159 WeakPolarHBondContact O-CG1 3.34Å; C155-I159 PolarHBondContact O-N 2.96Å |
| 156 | E | 98.1 | Very high | 98.2 | Very high | 129 Ų | 129 | 103.8 Ų | 103.8 | 60% | 0.603 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.1 | -45.3 | 176.6 | -75 | 171.9 | -174 | 0 | 0 | 112 | N152 K153 F154 Y158 I159 S160 | N152-E156 WeakPolarHBondContact O-CB 3.42Å; N152-E156 WeakPolarHBondContact O-CG 3.48Å; N152-E156 PolarHBondContact O-N 3.3Å; K153-E156 PolarHBondContact O-N 2.72Å; F154-E156 VanDerWaalsContact C-N 3.32Å; F154-E156 PolarHBondContact O-N 2.83Å; E156-Y158 PolarHBondContact O-N 3.41Å; E156-I159 PolarHBondContact O-N 2.82Å; E156-S160 WeakPolarHBondContact O-CB 3.44Å; E156-S160 PolarHBondContact O-N 2.83Å |
| 157 | Q | 98.1 | Very high | 98.2 | Very high | 123 Ų | 123 | 103.9 Ų | 103.9 | 58% | 0.575 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.1 | -44.2 | 175.7 | -74.9 | 178.4 | -13.2 | 0 | 0 | 112.1 | K153 F154 T161 | K153-Q157 WeakPolarHBondContact O-CG 3.47Å; K153-Q157 PolarHBondContact O-N 3.03Å; F154-Q157 PolarHBondContact O-N 3.11Å; Q157-T161 WeakPolarHBondContact O-CB 3.4Å; Q157-T161 PolarHBondContact O-N 2.87Å; Q157-T161 PolarHBondContact O-OG1 2.94Å |
| 158 | Y | 97.5 | Very high | 98.2 | Very high | 118 Ų | 118 | 102 Ų | 102 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -48.6 | 177.4 | -92.8 | -97.2 | 0 | 0 | 0 | 111.8 | F154 C155 E156 S160 T161 F162 | F154-Y158 AromaticContact CD1-CD2 3.7Å; F154-Y158 HydrophobicContact CD1-CD2 3.7Å; F154-Y158 AromaticContact CD1-CE2 3.69Å; F154-Y158 HydrophobicContact CD1-CE2 3.69Å; F154-Y158 HydrophobicContact CD2-CD2 4.37Å; F154-Y158 HydrophobicContact CD2-CE2 4.05Å; F154-Y158 AromaticContact CE1-CD2 3.58Å; F154-Y158 HydrophobicContact CE1-CD2 3.58Å; F154-Y158 AromaticContact CE1-CE2 3.09Å; F154-Y158 HydrophobicContact CE1-CE2 3.09Å; F154-Y158 AromaticContact CE1-CZ 3.72Å; F154-Y158 HydrophobicContact CE2-CD2 4.27Å; F154-Y158 AromaticContact CE2-CE2 3.51Å; F154-Y158 HydrophobicContact CE2-CE2 3.51Å; F154-Y158 HydrophobicContact CG-CD2 4.14Å; F154-Y158 HydrophobicContact CG-CE2 4.15Å; F154-Y158 AromaticContact CZ-CD2 3.92Å; F154-Y158 HydrophobicContact CZ-CD2 3.92Å; F154-Y158 AromaticContact CZ-CE2 3.03Å; F154-Y158 HydrophobicContact CZ-CE2 3.03Å; F154-Y158 AromaticContact CZ-CZ 3.61Å; F154-Y158 WeakPolarHBondContact CZ-OH 3.42Å; F154-Y158 WeakPolarHBondContact O-CD2 3.32Å; F154-Y158 PolarHBondContact O-N 3.13Å; C155-Y158 PolarHBondContact O-N 2.94Å; E156-Y158 PolarHBondContact O-N 3.41Å; Y158-S160 VanDerWaalsContact C-N 3.35Å; Y158-S160 PolarHBondContact O-N 2.91Å; Y158-T161 PolarHBondContact O-N 2.95Å; Y158-F162 HydrophobicContact CD1-CD2 4.36Å; Y158-F162 AromaticContact CD1-CE2 3.78Å; Y158-F162 HydrophobicContact CD1-CE2 3.78Å; Y158-F162 VanDerWaalsContact O-CD2 3.22Å; Y158-F162 WeakPolarHBondContact O-CD2 3.47Å; Y158-F162 PolarHBondContact O-N 3.12Å |
| 159 | I | 97.9 | Very high | 98.2 | Very high | 96 Ų | 96 | 99 Ų | 99 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.8 | -49.1 | 179.1 | -69.6 | 163.8 | 0 | 0 | 0 | 109.9 | C155 E156 T161 F162 Q163 | C155-I159 WeakPolarHBondContact O-CB 3.36Å; C155-I159 WeakPolarHBondContact O-CD1 3.49Å; C155-I159 WeakPolarHBondContact O-CG1 3.34Å; C155-I159 PolarHBondContact O-N 2.96Å; E156-I159 PolarHBondContact O-N 2.82Å; I159-T161 VanDerWaalsContact C-N 3.32Å; I159-T161 PolarHBondContact O-N 3.48Å; I159-F162 PolarHBondContact O-N 3.39Å; I159-Q163 HydrophobicContact CG2-CG 4.39Å; I159-Q163 WeakPolarHBondContact O-CB 3.36Å; I159-Q163 VanDerWaalsContact O-CG 3.3Å; I159-Q163 WeakPolarHBondContact O-CG 3.31Å; I159-Q163 PolarHBondContact O-N 3.38Å |
| 160 | S | 98.3 | Very high | 98.2 | Very high | 73 Ų | 73 | 100.1 Ų | 100.1 | 51% | 0.51 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 179 | -179.2 | 0 | 0 | 0 | 0 | 112.3 | E156 Y158 K164 | E156-S160 WeakPolarHBondContact O-CB 3.44Å; E156-S160 PolarHBondContact O-N 2.83Å; Y158-S160 VanDerWaalsContact C-N 3.35Å; Y158-S160 PolarHBondContact O-N 2.91Å; S160-K164 WeakPolarHBondContact O-CB 3.2Å; S160-K164 PolarHBondContact O-N 3.01Å; S160-K164 VanDerWaalsContact O-N 3.07Å |
| 161 | T | 98.2 | Very high | 98.2 | Very high | 94 Ų | 94 | 101.2 Ų | 101.2 | 58% | 0.577 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.2 | -43.8 | 179.9 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | Q157 Y158 I159 K164 S165 | Q157-T161 WeakPolarHBondContact O-CB 3.4Å; Q157-T161 PolarHBondContact O-N 2.87Å; Q157-T161 PolarHBondContact O-OG1 2.94Å; Y158-T161 PolarHBondContact O-N 2.95Å; I159-T161 VanDerWaalsContact C-N 3.32Å; I159-T161 PolarHBondContact O-N 3.48Å; T161-K164 PolarHBondContact O-N 2.68Å; T161-S165 WeakPolarHBondContact O-CB 3.5Å; T161-S165 PolarHBondContact O-N 2.62Å |
| 162 | F | 98.3 | Very high | 98.3 | Very high | 137 Ų | 137 | 103.1 Ų | 103.1 | 60% | 0.601 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.7 | -40.6 | 178.2 | -82.5 | -62.1 | 0 | 0 | 0 | 112.7 | Y158 I159 K164 S165 D166 | Y158-F162 HydrophobicContact CD1-CD2 4.36Å; Y158-F162 AromaticContact CD1-CE2 3.78Å; Y158-F162 HydrophobicContact CD1-CE2 3.78Å; Y158-F162 VanDerWaalsContact O-CD2 3.22Å; Y158-F162 WeakPolarHBondContact O-CD2 3.47Å; Y158-F162 PolarHBondContact O-N 3.12Å; I159-F162 PolarHBondContact O-N 3.39Å; F162-K164 VanDerWaalsContact C-N 3.32Å; F162-K164 PolarHBondContact O-N 2.81Å; F162-S165 PolarHBondContact O-N 2.98Å; F162-D166 WeakPolarHBondContact O-CB 2.94Å; F162-D166 PolarHBondContact O-N 3.28Å |
| 163 | Q | 98.6 | Very high | 98.3 | Very high | 131 Ų | 131 | 103.4 Ų | 103.4 | 61% | 0.612 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.9 | -42.2 | 174.7 | -75.4 | 176.9 | -20.1 | 0 | 0 | 111.7 | I159 D166 M167 | I159-Q163 HydrophobicContact CG2-CG 4.39Å; I159-Q163 WeakPolarHBondContact O-CB 3.36Å; I159-Q163 VanDerWaalsContact O-CG 3.3Å; I159-Q163 WeakPolarHBondContact O-CG 3.31Å; I159-Q163 PolarHBondContact O-N 3.38Å; Q163-D166 PolarHBondContact O-N 2.95Å; Q163-M167 WeakPolarHBondContact O-CB 3.35Å; Q163-M167 PolarHBondContact O-N 2.98Å |
| 164 | K | 98.5 | Very high | 98.3 | Very high | 131 Ų | 131 | 102.9 Ų | 102.9 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.5 | -46 | 175.3 | -175 | -176.7 | 174.9 | -167.8 | 0 | 111.6 | S160 T161 F162 D166 M167 D168 | S160-K164 WeakPolarHBondContact O-CB 3.2Å; S160-K164 PolarHBondContact O-N 3.01Å; S160-K164 VanDerWaalsContact O-N 3.07Å; T161-K164 PolarHBondContact O-N 2.68Å; F162-K164 VanDerWaalsContact C-N 3.32Å; F162-K164 PolarHBondContact O-N 2.81Å; K164-D166 PolarHBondContact O-N 2.94Å; K164-M167 HydrophobicContact CG-CE 4.45Å; K164-M167 PolarHBondContact O-N 3.44Å; K164-D168 PolarHBondContact O-N 3.34Å |
| 165 | S | 98.7 | Very high | 98.3 | Very high | 63 Ų | 63 | 103.6 Ų | 103.6 | 44% | 0.441 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 177.2 | -173.4 | 0 | 0 | 0 | 0 | 112 | T161 F162 M167 D168 V169 | T161-S165 WeakPolarHBondContact O-CB 3.5Å; T161-S165 PolarHBondContact O-N 2.62Å; F162-S165 PolarHBondContact O-N 2.98Å; S165-M167 PolarHBondContact O-N 2.89Å; S165-D168 PolarHBondContact O-N 3.44Å; S165-V169 WeakPolarHBondContact O-CG2 3.06Å; S165-V169 PolarHBondContact O-N 3.42Å |
| 166 | D | 98.6 | Very high | 98.4 | Very high | 89 Ų | 89 | 106 Ų | 106 | 48% | 0.476 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 177.4 | -170.4 | 64.5 | 0 | 0 | 0 | 111.8 | F162 Q163 K164 D168 V169 Q170 | F162-D166 WeakPolarHBondContact O-CB 2.94Å; F162-D166 PolarHBondContact O-N 3.28Å; Q163-D166 PolarHBondContact O-N 2.95Å; K164-D166 PolarHBondContact O-N 2.94Å; D166-D168 VanDerWaalsContact C-N 3.35Å; D166-D168 PolarHBondContact O-N 3.42Å; D166-V169 PolarHBondContact O-N 3.22Å; D166-Q170 WeakPolarHBondContact O-CG 3.28Å; D166-Q170 PolarHBondContact O-N 3.31Å; D166-Q170 PolarHBondContact OD2-NE2 3.4Å |
| 167 | M | 98.5 | Very high | 98.4 | Very high | 111 Ų | 111 | 105.7 Ų | 105.7 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 174.7 | -177.9 | 179.5 | 60.1 | 0 | 0 | 112.2 | Q163 K164 S165 Q170 K171 | Q163-M167 WeakPolarHBondContact O-CB 3.35Å; Q163-M167 PolarHBondContact O-N 2.98Å; K164-M167 HydrophobicContact CG-CE 4.45Å; K164-M167 PolarHBondContact O-N 3.44Å; S165-M167 PolarHBondContact O-N 2.89Å; M167-Q170 PolarHBondContact O-N 2.84Å; M167-K171 WeakPolarHBondContact O-CB 3.21Å; M167-K171 PolarHBondContact O-N 3.14Å |
| 168 | D | 98.6 | Very high | 98.4 | Very high | 80 Ų | 80 | 106.6 Ų | 106.6 | 43% | 0.428 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | 177.1 | -72.2 | -24.6 | 0 | 0 | 0 | 111.2 | K164 S165 D166 K171 F172 | K164-D168 PolarHBondContact O-N 3.34Å; S165-D168 PolarHBondContact O-N 3.44Å; D166-D168 VanDerWaalsContact C-N 3.35Å; D166-D168 PolarHBondContact O-N 3.42Å; D168-K171 PolarHBondContact O-N 2.95Å; D168-F172 WeakPolarHBondContact O-CB 3.28Å; D168-F172 PolarHBondContact O-N 3.36Å |
| 169 | V | 98.7 | Very high | 98.4 | Very high | 73 Ų | 73 | 104.3 Ų | 104.3 | 44% | 0.442 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 174.3 | 168.7 | 0 | 0 | 0 | 0 | 111.6 | S165 D166 F172 N173 | S165-V169 WeakPolarHBondContact O-CG2 3.06Å; S165-V169 PolarHBondContact O-N 3.42Å; D166-V169 PolarHBondContact O-N 3.22Å; V169-F172 PolarHBondContact O-N 3.44Å; V169-N173 PolarHBondContact O-N 3.45Å; V169-N173 PolarHBondContact O-ND2 3.27Å |
| 170 | Q | 98.6 | Very high | 98.4 | Very high | 106 Ų | 106 | 103.7 Ų | 103.7 | 50% | 0.495 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.3 | -49 | 175.6 | -71.4 | 177.9 | 19.2 | 0 | 0 | 110.8 | D166 M167 F172 N173 E174 | D166-Q170 WeakPolarHBondContact O-CG 3.28Å; D166-Q170 PolarHBondContact O-N 3.31Å; D166-Q170 PolarHBondContact OD2-NE2 3.4Å; M167-Q170 PolarHBondContact O-N 2.84Å; Q170-F172 VanDerWaalsContact C-N 3.34Å; Q170-F172 PolarHBondContact O-N 2.85Å; Q170-N173 PolarHBondContact O-N 2.99Å; Q170-N173 VanDerWaalsContact O-N 3.12Å; Q170-E174 PolarHBondContact O-N 2.89Å |
| 171 | K | 98.5 | Very high | 98.4 | Very high | 138 Ų | 138 | 103.5 Ų | 103.5 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.4 | -43.7 | 177.4 | -174.3 | -179 | 177.8 | -173.9 | 0 | 112.3 | M167 D168 N173 E174 E175 | M167-K171 WeakPolarHBondContact O-CB 3.21Å; M167-K171 PolarHBondContact O-N 3.14Å; D168-K171 PolarHBondContact O-N 2.95Å; K171-N173 VanDerWaalsContact C-N 3.31Å; K171-N173 PolarHBondContact O-N 3.23Å; K171-E174 PolarHBondContact O-N 2.92Å; K171-E175 PolarHBondContact O-N 2.94Å; K171-E175 VanDerWaalsContact O-N 3.1Å |
| 172 | F | 98.5 | Very high | 98.4 | Very high | 130 Ų | 130 | 102.6 Ų | 102.6 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.2 | -41.8 | 175.5 | 173.9 | -99.5 | 0 | 0 | 0 | 111.8 | D168 V169 Q170 E175 K176 | D168-F172 WeakPolarHBondContact O-CB 3.28Å; D168-F172 PolarHBondContact O-N 3.36Å; V169-F172 PolarHBondContact O-N 3.44Å; Q170-F172 VanDerWaalsContact C-N 3.34Å; Q170-F172 PolarHBondContact O-N 2.85Å; F172-E175 PolarHBondContact O-N 3.01Å; F172-K176 HydrophobicContact CE1-CD 4.26Å; F172-K176 VanDerWaalsContact O-CB 3.27Å; F172-K176 WeakPolarHBondContact O-CB 3.36Å; F172-K176 PolarHBondContact O-N 3.43Å |
| 173 | N | 98.5 | Very high | 98.4 | Very high | 76 Ų | 76 | 99.9 Ų | 99.9 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 178.7 | -80.5 | -37.8 | 0 | 0 | 0 | 112.7 | V169 Q170 K171 K176 E177 | V169-N173 PolarHBondContact O-N 3.45Å; V169-N173 PolarHBondContact O-ND2 3.27Å; Q170-N173 PolarHBondContact O-N 2.99Å; Q170-N173 VanDerWaalsContact O-N 3.12Å; K171-N173 VanDerWaalsContact C-N 3.31Å; K171-N173 PolarHBondContact O-N 3.23Å; N173-K176 PolarHBondContact O-N 3.39Å; N173-K176 WeakPolarHBondContact OD1-CE 3.4Å; N173-E177 PolarHBondContact O-N 3.03Å |
| 174 | E | 98.5 | Very high | 98.4 | Very high | 107 Ų | 107 | 98.5 Ų | 98.5 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 174.2 | -68.4 | 178.7 | -170.3 | 0 | 0 | 112.1 | Q170 K171 E177 K178 | Q170-E174 PolarHBondContact O-N 2.89Å; K171-E174 PolarHBondContact O-N 2.92Å; E174-E177 PolarHBondContact O-N 2.97Å; E174-K178 VanDerWaalsContact O-CG 3.32Å; E174-K178 WeakPolarHBondContact O-CG 3.37Å; E174-K178 PolarHBondContact O-N 3.3Å |
| 175 | E | 98.3 | Very high | 98.4 | Very high | 119 Ų | 119 | 99.5 Ų | 99.5 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.1 | -40.2 | 178 | -174.1 | 170.6 | -168.9 | 0 | 0 | 112 | K171 F172 K178 S179 | K171-E175 PolarHBondContact O-N 2.94Å; K171-E175 VanDerWaalsContact O-N 3.1Å; F172-E175 PolarHBondContact O-N 3.01Å; E175-K178 PolarHBondContact O-N 3Å; E175-S179 WeakPolarHBondContact O-CB 3.44Å; E175-S179 PolarHBondContact O-N 2.91Å; E175-S179 PolarHBondContact O-OG 3.19Å |
| 176 | K | 98.3 | Very high | 98.4 | Very high | 103 Ų | 103 | 102.9 Ų | 102.9 | 45% | 0.448 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59 | -46.9 | 173 | -178.3 | -177 | 70.8 | 77.8 | 0 | 111.2 | F172 N173 S179 V180 | F172-K176 HydrophobicContact CE1-CD 4.26Å; F172-K176 VanDerWaalsContact O-CB 3.27Å; F172-K176 WeakPolarHBondContact O-CB 3.36Å; F172-K176 PolarHBondContact O-N 3.43Å; N173-K176 PolarHBondContact O-N 3.39Å; N173-K176 WeakPolarHBondContact OD1-CE 3.4Å; K176-S179 PolarHBondContact O-N 2.94Å; K176-V180 WeakPolarHBondContact O-CG2 3.49Å; K176-V180 PolarHBondContact O-N 3.45Å |
| 177 | E | 98.5 | Very high | 98.4 | Very high | 121 Ų | 121 | 103.8 Ų | 103.8 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.1 | -44.4 | 179 | -173.4 | 179 | 176.8 | 0 | 0 | 112 | N173 E174 S179 V180 N181 | N173-E177 PolarHBondContact O-N 3.03Å; E174-E177 PolarHBondContact O-N 2.97Å; E177-S179 VanDerWaalsContact C-N 3.29Å; E177-S179 PolarHBondContact O-N 2.9Å; E177-V180 PolarHBondContact O-N 3.12Å; E177-N181 WeakPolarHBondContact O-CB 3.31Å; E177-N181 VanDerWaalsContact O-CG 3.3Å; E177-N181 PolarHBondContact O-N 3.45Å; E177-N181 PolarHBondContact O-ND2 3.48Å |
| 178 | K | 98.1 | Very high | 98.3 | Very high | 143 Ų | 143 | 103.7 Ų | 103.7 | 62% | 0.622 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -56.5 | -44 | 174.4 | -72.3 | 168.7 | -173.1 | 166.3 | 0 | 111.7 | E174 E175 N181 S182 | E174-K178 VanDerWaalsContact O-CG 3.32Å; E174-K178 WeakPolarHBondContact O-CG 3.37Å; E174-K178 PolarHBondContact O-N 3.3Å; E175-K178 PolarHBondContact O-N 3Å; K178-N181 PolarHBondContact O-N 3.47Å; K178-S182 PolarHBondContact O-N 2.91Å |
| 179 | S | 98.1 | Very high | 98.3 | Very high | 70 Ų | 70 | 102.8 Ų | 102.8 | 49% | 0.49 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 179.5 | -59.8 | 0 | 0 | 0 | 0 | 112.4 | E175 K176 E177 N181 S182 C183 | E175-S179 WeakPolarHBondContact O-CB 3.44Å; E175-S179 PolarHBondContact O-N 2.91Å; E175-S179 PolarHBondContact O-OG 3.19Å; K176-S179 PolarHBondContact O-N 2.94Å; E177-S179 VanDerWaalsContact C-N 3.29Å; E177-S179 PolarHBondContact O-N 2.9Å; S179-N181 VanDerWaalsContact C-N 3.35Å; S179-N181 PolarHBondContact O-N 3.49Å; S179-S182 PolarHBondContact O-N 3.49Å; S179-C183 WeakPolarHBondContact O-CB 3.45Å; S179-C183 PolarHBondContact O-N 3.07Å |
| 180 | V | 98.4 | Very high | 98.3 | Very high | 82 Ų | 82 | 105.1 Ų | 105.1 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 175.1 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | K176 E177 S182 C183 Q184 | K176-V180 WeakPolarHBondContact O-CG2 3.49Å; K176-V180 PolarHBondContact O-N 3.45Å; E177-V180 PolarHBondContact O-N 3.12Å; V180-S182 VanDerWaalsContact C-N 3.32Å; V180-S182 PolarHBondContact O-N 2.94Å; V180-C183 PolarHBondContact O-N 2.82Å; V180-Q184 PolarHBondContact O-N 3.27Å |
| 181 | N | 98.2 | Very high | 98.3 | Very high | 70 Ų | 70 | 106.1 Ų | 106.1 | 37% | 0.374 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 178 | -73.2 | -28.5 | 0 | 0 | 0 | 112.2 | E177 K178 S179 K185 | E177-N181 WeakPolarHBondContact O-CB 3.31Å; E177-N181 VanDerWaalsContact O-CG 3.3Å; E177-N181 PolarHBondContact O-N 3.45Å; E177-N181 PolarHBondContact O-ND2 3.48Å; K178-N181 PolarHBondContact O-N 3.47Å; S179-N181 VanDerWaalsContact C-N 3.35Å; S179-N181 PolarHBondContact O-N 3.49Å; N181-K185 WeakPolarHBondContact O-CG 3.48Å; N181-K185 PolarHBondContact O-N 2.89Å |
| 182 | S | 98.1 | Very high | 98.2 | Very high | 74 Ų | 74 | 105.7 Ų | 105.7 | 52% | 0.517 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64 | -47.9 | 174.8 | -168.3 | 0 | 0 | 0 | 0 | 111.7 | K178 S179 V180 Q184 K185 E186 | K178-S182 PolarHBondContact O-N 2.91Å; S179-S182 PolarHBondContact O-N 3.49Å; V180-S182 VanDerWaalsContact C-N 3.32Å; V180-S182 PolarHBondContact O-N 2.94Å; S182-Q184 VanDerWaalsContact C-N 3.3Å; S182-Q184 PolarHBondContact O-N 3.46Å; S182-K185 PolarHBondContact O-N 3.21Å; S182-E186 PolarHBondContact O-N 2.75Å |
| 183 | C | 98.1 | Very high | 98.2 | Very high | 80 Ų | 80 | 103 Ų | 103 | 54% | 0.541 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 178.6 | -177 | 0 | 0 | 0 | 0 | 112 | S179 V180 E186 Q187 | S179-C183 WeakPolarHBondContact O-CB 3.45Å; S179-C183 PolarHBondContact O-N 3.07Å; V180-C183 PolarHBondContact O-N 2.82Å; C183-E186 PolarHBondContact O-N 3.36Å; C183-Q187 WeakPolarHBondContact O-CB 3.32Å; C183-Q187 PolarHBondContact O-N 2.85Å |
| 184 | Q | 98.5 | Very high | 98.2 | Very high | 103 Ų | 103 | 105.7 Ų | 105.7 | 48% | 0.481 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 176.4 | -173.8 | 178.8 | 0.4 | 0 | 0 | 112.2 | V180 S182 Q187 Q188 | V180-Q184 PolarHBondContact O-N 3.27Å; S182-Q184 VanDerWaalsContact C-N 3.3Å; S182-Q184 PolarHBondContact O-N 3.46Å; Q184-Q187 PolarHBondContact O-N 3.07Å; Q184-Q188 WeakPolarHBondContact O-CG 3.5Å; Q184-Q188 PolarHBondContact O-N 2.86Å |
| 185 | K | 98.2 | Very high | 98.2 | Very high | 151 Ų | 151 | 103.7 Ų | 103.7 | 66% | 0.657 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.5 | -44.7 | 175.7 | -72.8 | 175.9 | -178.9 | 179.2 | 0 | 111.5 | N181 S182 Q187 Q188 A189 | N181-K185 WeakPolarHBondContact O-CG 3.48Å; N181-K185 PolarHBondContact O-N 2.89Å; S182-K185 PolarHBondContact O-N 3.21Å; K185-Q187 VanDerWaalsContact C-N 3.34Å; K185-Q187 PolarHBondContact O-N 3.39Å; K185-Q188 PolarHBondContact O-N 3.44Å; K185-A189 PolarHBondContact O-N 2.92Å |
| 186 | E | 98.1 | Very high | 98.1 | Very high | 135 Ų | 135 | 101.1 Ų | 101.1 | 63% | 0.631 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.6 | -41.9 | 177.2 | -171.5 | 175.6 | -178 | 0 | 0 | 111.6 | S182 C183 Q188 A189 L190 | S182-E186 PolarHBondContact O-N 2.75Å; C183-E186 PolarHBondContact O-N 3.36Å; E186-Q188 VanDerWaalsContact C-N 3.3Å; E186-Q188 PolarHBondContact O-N 2.88Å; E186-A189 PolarHBondContact O-N 3.4Å; E186-L190 WeakPolarHBondContact O-CB 3.36Å; E186-L190 PolarHBondContact O-N 3.48Å |
| 187 | Q | 98.5 | Very high | 98.1 | Very high | 107 Ų | 107 | 102.5 Ų | 102.5 | 50% | 0.5 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 175.3 | -170 | -172.1 | 69.7 | 0 | 0 | 111.9 | C183 Q184 K185 K191 | C183-Q187 WeakPolarHBondContact O-CB 3.32Å; C183-Q187 PolarHBondContact O-N 2.85Å; Q184-Q187 PolarHBondContact O-N 3.07Å; K185-Q187 VanDerWaalsContact C-N 3.34Å; K185-Q187 PolarHBondContact O-N 3.39Å; Q187-K191 WeakPolarHBondContact O-CG 3.35Å; Q187-K191 PolarHBondContact O-N 2.91Å; Q187-K191 VanDerWaalsContact O-N 3.13Å |
| 188 | Q | 98.2 | Very high | 98.1 | Very high | 110 Ų | 110 | 100.6 Ų | 100.6 | 51% | 0.514 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 175.5 | -72.3 | 179.6 | -2.7 | 0 | 0 | 111.8 | Q184 K185 E186 L190 K191 L192 | Q184-Q188 WeakPolarHBondContact O-CG 3.5Å; Q184-Q188 PolarHBondContact O-N 2.86Å; K185-Q188 PolarHBondContact O-N 3.44Å; E186-Q188 VanDerWaalsContact C-N 3.3Å; E186-Q188 PolarHBondContact O-N 2.88Å; Q188-L190 VanDerWaalsContact C-N 3.32Å; Q188-L190 PolarHBondContact O-N 3.34Å; Q188-K191 PolarHBondContact O-N 3.45Å; Q188-L192 WeakPolarHBondContact O-CG 3.32Å; Q188-L192 PolarHBondContact O-N 3.02Å; Q188-L192 VanDerWaalsContact O-N 3.09Å |
| 189 | A | 98.2 | Very high | 98 | Very high | 60 Ų | 60 | 99.9 Ų | 99.9 | 50% | 0.496 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K185 E186 L192 S193 | K185-A189 PolarHBondContact O-N 2.92Å; E186-A189 PolarHBondContact O-N 3.4Å; A189-L192 PolarHBondContact O-N 2.98Å; A189-S193 WeakPolarHBondContact O-CB 3.35Å; A189-S193 PolarHBondContact O-N 3.36Å |
| 190 | L | 98.3 | Very high | 98.1 | Very high | 122 Ų | 122 | 100.6 Ų | 100.6 | 64% | 0.639 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.1 | -41.2 | 177.5 | -176.1 | 64.5 | 0 | 0 | 0 | 112.3 | E186 Q188 S193 K194 | E186-L190 WeakPolarHBondContact O-CB 3.36Å; E186-L190 PolarHBondContact O-N 3.48Å; Q188-L190 VanDerWaalsContact C-N 3.32Å; Q188-L190 PolarHBondContact O-N 3.34Å; L190-S193 PolarHBondContact O-N 3.35Å; L190-K194 WeakPolarHBondContact O-CB 3.42Å; L190-K194 PolarHBondContact O-N 3.14Å |
| 191 | K | 98 | Very high | 98 | Very high | 128 Ų | 128 | 100.8 Ų | 100.8 | 56% | 0.557 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.3 | -44 | 175.6 | -76.1 | 172.5 | -178.9 | 172 | 0 | 111.7 | Q187 Q188 K194 C195 | Q187-K191 WeakPolarHBondContact O-CG 3.35Å; Q187-K191 PolarHBondContact O-N 2.91Å; Q187-K191 VanDerWaalsContact O-N 3.13Å; Q188-K191 PolarHBondContact O-N 3.45Å; K191-K194 PolarHBondContact O-N 3.26Å; K191-C195 PolarHBondContact O-N 3.42Å |
| 192 | L | 97.5 | Very high | 98 | Very high | 129 Ų | 129 | 101.9 Ų | 101.9 | 68% | 0.675 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.7 | -45.6 | 177.8 | -70.3 | 173.8 | 0 | 0 | 0 | 111.8 | Q188 A189 K194 C195 S196 | Q188-L192 WeakPolarHBondContact O-CG 3.32Å; Q188-L192 PolarHBondContact O-N 3.02Å; Q188-L192 VanDerWaalsContact O-N 3.09Å; A189-L192 PolarHBondContact O-N 2.98Å; L192-K194 PolarHBondContact O-N 3.38Å; L192-C195 WeakPolarHBondContact O-CB 3.09Å; L192-C195 PolarHBondContact O-N 3.33Å; L192-S196 PolarHBondContact O-N 2.98Å |
| 193 | S | 98.2 | Very high | 98 | Very high | 73 Ų | 73 | 100.9 Ų | 100.9 | 51% | 0.51 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 176.4 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | A189 L190 C195 S196 Q197 | A189-S193 WeakPolarHBondContact O-CB 3.35Å; A189-S193 PolarHBondContact O-N 3.36Å; L190-S193 PolarHBondContact O-N 3.35Å; S193-C195 VanDerWaalsContact C-N 3.33Å; S193-C195 PolarHBondContact O-N 3.2Å; S193-S196 PolarHBondContact O-N 3.08Å; S193-Q197 WeakPolarHBondContact O-CB 3.49Å; S193-Q197 PolarHBondContact O-N 2.86Å |
| 194 | K | 98.1 | Very high | 98 | Very high | 133 Ų | 133 | 101.1 Ų | 101.1 | 58% | 0.578 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.4 | -40.7 | 176.6 | -172.9 | 177.4 | -178.1 | 178.4 | 0 | 112.5 | L190 K191 L192 N198 | L190-K194 WeakPolarHBondContact O-CB 3.42Å; L190-K194 PolarHBondContact O-N 3.14Å; K191-K194 PolarHBondContact O-N 3.26Å; L192-K194 PolarHBondContact O-N 3.38Å; K194-N198 WeakPolarHBondContact O-CB 3.33Å; K194-N198 VanDerWaalsContact O-CG 3.23Å; K194-N198 PolarHBondContact O-N 3.48Å; K194-N198 PolarHBondContact O-ND2 2.93Å |
| 195 | C | 98 | Very high | 98 | Very high | 65 Ų | 65 | 101.1 Ų | 101.1 | 44% | 0.439 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.2 | -48.9 | 176.6 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | K191 L192 S193 Q197 N198 Q199 | K191-C195 PolarHBondContact O-N 3.42Å; L192-C195 WeakPolarHBondContact O-CB 3.09Å; L192-C195 PolarHBondContact O-N 3.33Å; S193-C195 VanDerWaalsContact C-N 3.33Å; S193-C195 PolarHBondContact O-N 3.2Å; C195-Q197 PolarHBondContact O-N 2.87Å; C195-N198 PolarHBondContact O-N 3.45Å; C195-Q199 WeakPolarHBondContact O-CG 3.29Å; C195-Q199 PolarHBondContact O-N 2.93Å |
| 196 | S | 96.9 | Very high | 97.9 | Very high | 65 Ų | 65 | 100.2 Ų | 100.2 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 178.5 | 179.1 | 0 | 0 | 0 | 0 | 112.4 | L192 S193 Q199 T200 | L192-S196 PolarHBondContact O-N 2.98Å; S193-S196 PolarHBondContact O-N 3.08Å; S196-Q199 PolarHBondContact O-N 3.23Å; S196-T200 PolarHBondContact O-N 3.37Å; S196-T200 PolarHBondContact O-OG1 3.12Å |
| 197 | Q | 98 | Very high | 97.9 | Very high | 132 Ų | 132 | 100 Ų | 100 | 62% | 0.617 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.2 | -43.4 | 176 | -173.2 | 179.5 | 16.5 | 0 | 0 | 111.6 | S193 C195 T200 L201 | S193-Q197 WeakPolarHBondContact O-CB 3.49Å; S193-Q197 PolarHBondContact O-N 2.86Å; C195-Q197 PolarHBondContact O-N 2.87Å; Q197-T200 PolarHBondContact O-N 2.98Å; Q197-L201 WeakPolarHBondContact O-CB 3.41Å; Q197-L201 PolarHBondContact O-N 3.41Å |
| 198 | N | 98.2 | Very high | 97.8 | Very high | 81 Ų | 81 | 100.6 Ų | 100.6 | 43% | 0.433 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 176.3 | -75.2 | -13.1 | 0 | 0 | 0 | 111.7 | K194 C195 T200 L201 E202 | K194-N198 WeakPolarHBondContact O-CB 3.33Å; K194-N198 VanDerWaalsContact O-CG 3.23Å; K194-N198 PolarHBondContact O-N 3.48Å; K194-N198 PolarHBondContact O-ND2 2.93Å; C195-N198 PolarHBondContact O-N 3.45Å; N198-T200 VanDerWaalsContact C-N 3.31Å; N198-T200 PolarHBondContact O-N 2.9Å; N198-L201 PolarHBondContact O-N 2.93Å; N198-E202 WeakPolarHBondContact O-CG 3.37Å; N198-E202 PolarHBondContact O-N 3.38Å |
| 199 | Q | 97.3 | Very high | 97.8 | Very high | 127 Ų | 127 | 102 Ų | 102 | 59% | 0.593 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.7 | -43 | 175.4 | -72.6 | 173.4 | -23.5 | 0 | 0 | 111.9 | C195 S196 L201 E202 A203 | C195-Q199 WeakPolarHBondContact O-CG 3.29Å; C195-Q199 PolarHBondContact O-N 2.93Å; S196-Q199 PolarHBondContact O-N 3.23Å; Q199-L201 VanDerWaalsContact C-N 3.33Å; Q199-L201 PolarHBondContact O-N 2.91Å; Q199-E202 PolarHBondContact O-N 2.76Å; Q199-A203 PolarHBondContact O-N 3.5Å |
| 200 | T | 98.1 | Very high | 97.7 | Very high | 85 Ų | 85 | 106 Ų | 106 | 52% | 0.521 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 176.3 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | S196 Q197 N198 A203 V204 | S196-T200 PolarHBondContact O-N 3.37Å; S196-T200 PolarHBondContact O-OG1 3.12Å; Q197-T200 PolarHBondContact O-N 2.98Å; N198-T200 VanDerWaalsContact C-N 3.31Å; N198-T200 PolarHBondContact O-N 2.9Å; T200-A203 PolarHBondContact O-N 2.62Å; T200-V204 WeakPolarHBondContact O-CG2 3.42Å; T200-V204 PolarHBondContact O-N 3.44Å |
| 201 | L | 97.8 | Very high | 97.5 | Very high | 86 Ų | 86 | 103.2 Ų | 103.2 | 45% | 0.45 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 177.7 | -179.9 | 62.7 | 0 | 0 | 0 | 112.2 | Q197 N198 Q199 V204 K205 | Q197-L201 WeakPolarHBondContact O-CB 3.41Å; Q197-L201 PolarHBondContact O-N 3.41Å; N198-L201 PolarHBondContact O-N 2.93Å; Q199-L201 VanDerWaalsContact C-N 3.33Å; Q199-L201 PolarHBondContact O-N 2.91Å; L201-V204 PolarHBondContact O-N 2.87Å; L201-K205 WeakPolarHBondContact O-CG 3.3Å; L201-K205 PolarHBondContact O-N 3.21Å |
| 202 | E | 98.1 | Very high | 97.3 | Very high | 93 Ų | 93 | 100.8 Ų | 100.8 | 44% | 0.435 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 176.2 | -68.6 | -55.2 | 120.5 | 0 | 0 | 111.5 | N198 Q199 V204 K205 E206 | N198-E202 WeakPolarHBondContact O-CG 3.37Å; N198-E202 PolarHBondContact O-N 3.38Å; Q199-E202 PolarHBondContact O-N 2.76Å; E202-V204 VanDerWaalsContact C-N 3.29Å; E202-V204 PolarHBondContact O-N 3.49Å; E202-K205 WeakPolarHBondContact O-CB 3.3Å; E202-K205 PolarHBondContact O-N 3.36Å; E202-K205 VanDerWaalsContact O-N 3.11Å; E202-K205 IonicContact OE1-NZ 2.73Å; E202-K205 PolarHBondContact OE1-NZ 2.78Å; E202-E206 PolarHBondContact O-N 3.47Å |
| 203 | A | 97.8 | Very high | 97.2 | Very high | 53 Ų | 53 | 100.2 Ų | 100.2 | 44% | 0.438 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.6 | -37.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q199 T200 M207 | Q199-A203 PolarHBondContact O-N 3.5Å; T200-A203 PolarHBondContact O-N 2.62Å; A203-M207 WeakPolarHBondContact O-CB 3.43Å; A203-M207 PolarHBondContact O-N 3.3Å; A203-M207 VanDerWaalsContact O-N 3.11Å |
| 204 | V | 98.2 | Very high | 97 | Very high | 86 Ų | 86 | 100.6 Ų | 100.6 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 174.9 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | T200 L201 E202 M207 H208 | T200-V204 WeakPolarHBondContact O-CG2 3.42Å; T200-V204 PolarHBondContact O-N 3.44Å; L201-V204 PolarHBondContact O-N 2.87Å; E202-V204 VanDerWaalsContact C-N 3.29Å; E202-V204 PolarHBondContact O-N 3.49Å; V204-M207 PolarHBondContact O-N 3.15Å; V204-H208 WeakPolarHBondContact O-CB 3.17Å; V204-H208 PolarHBondContact O-N 2.93Å |
| 205 | K | 97.8 | Very high | 96.7 | Very high | 103 Ų | 103 | 99.5 Ų | 99.5 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 176.5 | -73.2 | 174 | -176.4 | 170.1 | 0 | 111.8 | L201 E202 M207 H208 E209 | L201-K205 WeakPolarHBondContact O-CG 3.3Å; L201-K205 PolarHBondContact O-N 3.21Å; E202-K205 WeakPolarHBondContact O-CB 3.3Å; E202-K205 PolarHBondContact O-N 3.36Å; E202-K205 VanDerWaalsContact O-N 3.11Å; E202-K205 IonicContact OE1-NZ 2.73Å; E202-K205 PolarHBondContact OE1-NZ 2.78Å; K205-M207 VanDerWaalsContact C-N 3.31Å; K205-M207 PolarHBondContact O-N 3.06Å; K205-H208 WeakPolarHBondContact O-CB 3.22Å; K205-H208 PolarHBondContact O-N 2.99Å; K205-E209 PolarHBondContact O-N 3.44Å |
| 206 | E | 97.7 | Very high | 96.3 | Very high | 132 Ų | 132 | 102.2 Ų | 102.2 | 62% | 0.617 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.5 | -42.4 | 177.4 | -72.2 | 179.2 | -179.7 | 0 | 0 | 111.5 | E202 H208 E209 K210 | E202-E206 PolarHBondContact O-N 3.47Å; E206-H208 VanDerWaalsContact C-N 3.35Å; E206-H208 PolarHBondContact O-N 3.39Å; E206-E209 PolarHBondContact O-N 2.91Å; E206-K210 WeakPolarHBondContact O-CB 3.46Å; E206-K210 PolarHBondContact O-N 3.13Å |
| 207 | M | 97 | Very high | 96 | Very high | 131 Ų | 131 | 103.2 Ų | 103.2 | 65% | 0.645 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.4 | -41.1 | 176.6 | -171.2 | -173.4 | -57.4 | 0 | 0 | 112 | A203 V204 K205 S211 | A203-M207 WeakPolarHBondContact O-CB 3.43Å; A203-M207 PolarHBondContact O-N 3.3Å; A203-M207 VanDerWaalsContact O-N 3.11Å; V204-M207 PolarHBondContact O-N 3.15Å; K205-M207 VanDerWaalsContact C-N 3.31Å; K205-M207 PolarHBondContact O-N 3.06Å; M207-S211 WeakPolarHBondContact O-CB 3.39Å; M207-S211 PolarHBondContact O-N 3.16Å; M207-S211 PolarHBondContact O-OG 3.4Å |
| 208 | H | 97.3 | Very high | 95.3 | Very high | 118 Ų | 118 | 102.2 Ų | 102.2 | 55% | 0.546 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.3 | -47.4 | 176.4 | 173.7 | -94.5 | 0 | 0 | 0 | 111.6 | V204 K205 E206 K210 S211 M212 | V204-H208 WeakPolarHBondContact O-CB 3.17Å; V204-H208 PolarHBondContact O-N 2.93Å; K205-H208 WeakPolarHBondContact O-CB 3.22Å; K205-H208 PolarHBondContact O-N 2.99Å; E206-H208 VanDerWaalsContact C-N 3.35Å; E206-H208 PolarHBondContact O-N 3.39Å; H208-K210 PolarHBondContact O-N 2.91Å; H208-S211 WeakPolarHBondContact O-CB 3.27Å; H208-S211 PolarHBondContact O-N 3.42Å; H208-S211 VanDerWaalsContact O-N 3.12Å; H208-M212 WeakPolarHBondContact O-CG 3.11Å; H208-M212 PolarHBondContact O-N 2.92Å |
| 209 | E | 96.6 | Very high | 94.5 | Very high | 139 Ų | 139 | 101 Ų | 101 | 65% | 0.65 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.5 | -47.1 | 178.1 | -175.1 | 170.6 | -166.3 | 0 | 0 | 111.5 | K205 E206 S211 M212 E213 | K205-E209 PolarHBondContact O-N 3.44Å; E206-E209 PolarHBondContact O-N 2.91Å; E209-S211 VanDerWaalsContact C-N 3.29Å; E209-S211 PolarHBondContact O-N 2.91Å; E209-M212 PolarHBondContact O-N 3.16Å; E209-E213 PolarHBondContact O-N 2.74Å |
| 210 | K | 95.9 | Very high | 93.4 | Very high | 146 Ų | 146 | 100 Ų | 100 | 64% | 0.635 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.8 | -37.4 | 175.3 | -171.8 | 174.5 | -176.1 | 175 | 0 | 112.6 | E206 H208 E213 V214 | E206-K210 WeakPolarHBondContact O-CB 3.46Å; E206-K210 PolarHBondContact O-N 3.13Å; H208-K210 PolarHBondContact O-N 2.91Å; K210-E213 PolarHBondContact O-N 3.1Å; K210-V214 WeakPolarHBondContact O-CG2 3.34Å; K210-V214 PolarHBondContact O-N 3.22Å; K210-V214 VanDerWaalsContact O-N 3.11Å |
| 211 | S | 95.6 | Very high | 91.6 | Very high | 63 Ų | 63 | 104.5 Ų | 104.5 | 44% | 0.441 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | 177.1 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | M207 H208 E209 V214 L215 | M207-S211 WeakPolarHBondContact O-CB 3.39Å; M207-S211 PolarHBondContact O-N 3.16Å; M207-S211 PolarHBondContact O-OG 3.4Å; H208-S211 WeakPolarHBondContact O-CB 3.27Å; H208-S211 PolarHBondContact O-N 3.42Å; H208-S211 VanDerWaalsContact O-N 3.12Å; E209-S211 VanDerWaalsContact C-N 3.29Å; E209-S211 PolarHBondContact O-N 2.91Å; S211-V214 PolarHBondContact O-N 3.35Å; S211-L215 WeakPolarHBondContact O-CG 3.47Å; S211-L215 PolarHBondContact O-N 2.92Å; S211-L215 VanDerWaalsContact O-N 3.07Å |
| 212 | M | 94.2 | Very high | 89.4 | Confident | 77 Ų | 77 | 110.2 Ų | 110.2 | 38% | 0.379 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.5 | -41.4 | 175.9 | -70 | -62.7 | -69.1 | 0 | 0 | 111.6 | H208 E209 V214 L215 M216 | H208-M212 WeakPolarHBondContact O-CG 3.11Å; H208-M212 PolarHBondContact O-N 2.92Å; E209-M212 PolarHBondContact O-N 3.16Å; M212-V214 PolarHBondContact O-N 3.23Å; M212-L215 PolarHBondContact O-N 3.39Å; M212-L215 HydrophobicContact SD-CD1 4.48Å; M212-M216 HydrophobicContact CE-CE 4.21Å; M212-M216 WeakPolarHBondContact O-CG 3.34Å; M212-M216 PolarHBondContact O-N 3.24Å |
| 213 | E | 94.5 | Very high | 89 | Confident | 117 Ų | 117 | 111.1 Ų | 111.1 | 55% | 0.547 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.2 | -45.1 | 175.5 | -174 | -178.2 | -173.9 | 0 | 0 | 111.9 | E209 K210 L215 M216 N217 | E209-E213 PolarHBondContact O-N 2.74Å; K210-E213 PolarHBondContact O-N 3.1Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 2.93Å; E213-M216 PolarHBondContact O-N 3.32Å; E213-N217 WeakPolarHBondContact O-CB 3.21Å; E213-N217 VanDerWaalsContact O-CG 3.24Å; E213-N217 PolarHBondContact O-N 3.18Å; E213-N217 PolarHBondContact O-ND2 3.42Å |
| 214 | V | 93.8 | Very high | 88.5 | Confident | 80 Ų | 80 | 114.1 Ų | 114.1 | 49% | 0.485 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -59.7 | -43 | 175.4 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | K210 S211 M212 N217 L218 | K210-V214 WeakPolarHBondContact O-CG2 3.34Å; K210-V214 PolarHBondContact O-N 3.22Å; K210-V214 VanDerWaalsContact O-N 3.11Å; S211-V214 PolarHBondContact O-N 3.35Å; M212-V214 PolarHBondContact O-N 3.23Å; V214-N217 PolarHBondContact O-N 3.36Å; V214-L218 HydrophobicContact CG1-CD1 4.15Å; V214-L218 WeakPolarHBondContact O-CG 3.21Å; V214-L218 PolarHBondContact O-N 3.41Å |
| 215 | L | 91.7 | Very high | 88 | Confident | 111 Ų | 111 | 115.7 Ų | 115.7 | 58% | 0.581 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.3 | -42.1 | 177.8 | -70.2 | 173 | 0 | 0 | 0 | 112.4 | S211 M212 E213 L218 G219 | S211-L215 WeakPolarHBondContact O-CG 3.47Å; S211-L215 PolarHBondContact O-N 2.92Å; S211-L215 VanDerWaalsContact O-N 3.07Å; M212-L215 PolarHBondContact O-N 3.39Å; M212-L215 HydrophobicContact SD-CD1 4.48Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 2.93Å; L215-L218 PolarHBondContact O-N 3.06Å; L215-G219 PolarHBondContact O-N 3.47Å; L215-G219 VanDerWaalsContact O-N 3.13Å |
| 216 | M | 90.5 | Very high | 87.4 | Confident | 121 Ų | 121 | 116.4 Ų | 116.4 | 60% | 0.596 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.1 | -40.1 | 176.9 | -71.3 | -177.1 | -170.6 | 0 | 0 | 112.1 | M212 E213 L218 G219 T220 | M212-M216 HydrophobicContact CE-CE 4.21Å; M212-M216 WeakPolarHBondContact O-CG 3.34Å; M212-M216 PolarHBondContact O-N 3.24Å; E213-M216 PolarHBondContact O-N 3.32Å; M216-L218 VanDerWaalsContact C-N 3.29Å; M216-L218 PolarHBondContact O-N 3.14Å; M216-G219 PolarHBondContact O-N 3.43Å; M216-T220 PolarHBondContact O-N 3Å; M216-T220 PolarHBondContact O-OG1 2.9Å; M216-T220 VanDerWaalsContact O-OG1 3.12Å |
| 217 | N | 89.7 | Confident | 86.8 | Confident | 86 Ų | 86 | 115.4 Ų | 115.4 | 46% | 0.46 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -69.9 | -23.2 | 177.7 | -71.4 | -26.7 | 0 | 0 | 0 | 113.4 | E213 V214 T220 | E213-N217 WeakPolarHBondContact O-CB 3.21Å; E213-N217 VanDerWaalsContact O-CG 3.24Å; E213-N217 PolarHBondContact O-N 3.18Å; E213-N217 PolarHBondContact O-ND2 3.42Å; V214-N217 PolarHBondContact O-N 3.36Å; N217-T220 PolarHBondContact O-OG1 3.46Å |
| 218 | L | 84.5 | Confident | 86.1 | Confident | 111 Ų | 111 | 114.4 Ų | 114.4 | 58% | 0.581 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -78.6 | -37.4 | 172.2 | -74.8 | 164.4 | 0 | 0 | 0 | 111.9 | V214 L215 M216 T220 | V214-L218 HydrophobicContact CG1-CD1 4.15Å; V214-L218 WeakPolarHBondContact O-CG 3.21Å; V214-L218 PolarHBondContact O-N 3.41Å; L215-L218 PolarHBondContact O-N 3.06Å; M216-L218 VanDerWaalsContact C-N 3.29Å; M216-L218 PolarHBondContact O-N 3.14Å; L218-T220 VanDerWaalsContact C-N 3.29Å; L218-T220 PolarHBondContact O-N 3.05Å |
| 219 | G | 80.1 | Confident | 85.3 | Confident | 55 Ų | 55 | 114.1 Ų | 114.1 | 57% | 0.567 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.6 | -21.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L215 M216 | L215-G219 PolarHBondContact O-N 3.47Å; L215-G219 VanDerWaalsContact O-N 3.13Å; M216-G219 PolarHBondContact O-N 3.43Å |
| 220 | T | 73.7 | Confident | 84.4 | Confident | 107 Ų | 107 | 112.2 Ų | 112.2 | 66% | 0.656 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -8.3 | -178.6 | 47 | 0 | 0 | 0 | 0 | 114.5 | M216 N217 L218 | M216-T220 PolarHBondContact O-N 3Å; M216-T220 PolarHBondContact O-OG1 2.9Å; M216-T220 VanDerWaalsContact O-OG1 3.12Å; N217-T220 PolarHBondContact O-OG1 3.46Å; L218-T220 VanDerWaalsContact C-N 3.29Å; L218-T220 PolarHBondContact O-N 3.05Å |
| 221 | K | 61.5 | Low | 83.4 | Confident | 179 Ų | 179 | 109.4 Ų | 109.4 | 78% | 0.778 | 60% | 0.598 | S | S | * | * | trans | -91.8 | 4.5 | 178 | -76.8 | -175.9 | 179.2 | 179.2 | 0 | 114.4 | ||||
| 222 | N | 51.4 | Low | 82.3 | Confident | 206 Ų | 206 | 113.6 Ų | 113.6 | 100% | 1.102 | 61% | 0.612 | S | S | * | * | trans | -106.3 | 0 | 170.5 | -69.8 | -24.7 | 0 | 0 | 0 | 109.9 |
Retrieved 222 of 222 residues in 255.5 ms
(Link to these results)