| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.8 | Very low | 55.8 | Low | 242 Ų | 242 | 153.1 Ų | 153.1 | 100% | 1.192 | 74% | 0.739 | S | S | * | * | 0 | 113.7 | 0 | -74.5 | -175.9 | -91.3 | 0 | 0 | 108.1 | |||||
| 2 | R | 42 | Very low | 57.5 | Low | 247 Ų | 247 | 145.2 Ų | 145.2 | 93% | 0.932 | 70% | 0.702 | S | S | * | * | trans | -77.9 | 122.2 | 174.1 | -84.3 | -178.6 | 173.6 | 165.3 | -2.7 | 108.2 | M4 | R2-M4 PolarHBondContact O-N 3.22Š| ||
| 3 | K | 42.2 | Very low | 58.9 | Low | 213 Ų | 213 | 140.8 Ų | 140.8 | 93% | 0.926 | 69% | 0.693 | S | S | * | * | trans | -68.6 | 112.3 | 168.7 | -74.4 | -179.6 | 175.7 | 179.1 | 0 | 107.1 | A5 | K3-A5 PolarHBondContact O-N 3.27Š| ||
| 4 | M | 41.3 | Very low | 60.1 | Low | 176 Ų | 176 | 138.8 Ų | 138.8 | 87% | 0.867 | 68% | 0.678 | S | S | * | * | trans | -72.9 | 112 | 166.9 | -62.7 | -81.1 | -111.7 | 0 | 0 | 106 | R2 L6 | R2-M4 PolarHBondContact O-N 3.22Å; M4-L6 PolarHBondContact O-N 3.4Å | ||
| 5 | A | 55.9 | Low | 61.3 | Low | 91 Ų | 91 | 139.6 Ų | 139.6 | 75% | 0.752 | 68% | 0.68 | S | S | * | * | trans | -65.5 | 128.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | K3 K7 | K3-A5 PolarHBondContact O-N 3.27Å; A5-K7 PolarHBondContact O-N 2.86Å; A5-K7 VanDerWaalsContact O-N 3.14Å | ||
| 6 | L | 49.2 | Very low | 62.1 | Low | 167 Ų | 167 | 135 Ų | 135 | 87% | 0.874 | 68% | 0.68 | S | S | * | * | trans | -67.6 | 111.6 | 170.7 | -80.5 | 96.2 | 0 | 0 | 0 | 107.6 | M4 | M4-L6 PolarHBondContact O-N 3.4Š| ||
| 7 | K | 62.7 | Low | 62.9 | Low | 134 Ų | 134 | 135.3 Ų | 135.3 | 58% | 0.583 | 67% | 0.672 | S | S | * | * | trans | -60.2 | 138.9 | 172 | -63.1 | -170.3 | 174.9 | -140.2 | 0 | 109.5 | A5 L9 D24 | A5-K7 PolarHBondContact O-N 2.86Å; A5-K7 VanDerWaalsContact O-N 3.14Å; K7-L9 PolarHBondContact O-N 3.46Å; K7-D24 WeakPolarHBondContact CE-OD1 3.43Å; K7-D24 IonicContact NZ-OD1 2.96Å; K7-D24 PolarHBondContact NZ-OD1 3.24Å; K7-D24 IonicContact NZ-OD2 2.73Å; K7-D24 PolarHBondContact NZ-OD2 2.96Å | ||
| 8 | K | 63.7 | Low | 63.8 | Low | 127 Ų | 127 | 131.6 Ų | 131.6 | 55% | 0.552 | 66% | 0.655 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.3 | 107.1 | 175.6 | -65.6 | 174.6 | -162.7 | 131.3 | 0 | 108.6 | D25 | K8-D25 IonicContact NZ-OD1 2.9Å; K8-D25 PolarHBondContact NZ-OD1 3.43Å; K8-D25 IonicContact NZ-OD2 3.27Å; K8-D25 PolarHBondContact NZ-OD2 3.37Å |
| 9 | L | 68.5 | Low | 64.4 | Low | 90 Ų | 90 | 128.4 Ų | 128.4 | 47% | 0.471 | 64% | 0.64 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95 | 130.4 | 173.7 | -171.9 | 73.4 | 0 | 0 | 0 | 109.6 | K7 V11 L20 D22 | K7-L9 PolarHBondContact O-N 3.46Å; L9-V11 HydrophobicContact CD2-CG2 4.48Å; L9-L20 HydrophobicContact CD1-CB 4.1Å; L9-L20 HydrophobicContact CD1-CD2 4.14Å; L9-L20 HydrophobicContact CD1-CG 4.06Å; L9-L20 HydrophobicContact CD2-CD2 3.81Å; L9-L20 HydrophobicContact CD2-CG 4.03Å; L9-L20 HydrophobicContact CG-CD2 4.47Å; L9-L20 HydrophobicContact CG-CG 4.3Å; L9-D22 WeakPolarHBondContact CD1-OD1 3.32Å |
| 10 | K | 73.5 | Confident | 65 | Low | 126 Ų | 126 | 127.1 Ų | 127.1 | 55% | 0.548 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.2 | 131.1 | 170.1 | -169.6 | 165.1 | -178.8 | 167.1 | 0 | 110.4 | L21 F23 | K10-L21 PolarHBondContact N-O 3.17Å; K10-L21 VanDerWaalsContact N-O 3.11Å; K10-L21 PolarHBondContact O-N 3.28Å; K10-F23 HydrophobicContact CB-CE2 4.12Å |
| 11 | V | 72.6 | Confident | 65.2 | Low | 71 Ų | 71 | 124.4 Ų | 124.4 | 43% | 0.43 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.2 | 122.9 | 178.6 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | L9 L18 L19 L20 | L9-V11 HydrophobicContact CD2-CG2 4.48Å; V11-L18 HydrophobicContact CG1-CB 4.07Å; V11-L18 HydrophobicContact CG1-CD1 4.06Å; V11-L18 HydrophobicContact CG1-CD2 4.26Å; V11-L18 HydrophobicContact CG1-CG 4.36Å; V11-L19 WeakPolarHBondContact CA-O 3.33Å; V11-L20 HydrophobicContact CG1-CD1 4.36Å; V11-L20 HydrophobicContact CG2-CD1 4.13Å; V11-L20 HydrophobicContact CG2-CG 4.32Å |
| 12 | I | 76.8 | Confident | 66.3 | Low | 58 Ų | 58 | 118.3 Ų | 118.3 | 30% | 0.297 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.6 | 116.9 | 176 | -58.2 | 179.1 | 0 | 0 | 0 | 108.7 | K14 L19 L21 | I12-K14 PolarHBondContact O-N 3.43Å; I12-L19 HydrophobicContact CB-CB 4.36Å; I12-L19 PolarHBondContact N-O 3.16Å; I12-L19 PolarHBondContact O-N 3.17Å; I12-L21 HydrophobicContact CD1-CD1 3.63Å; I12-L21 HydrophobicContact CG1-CD1 4.45Å |
| 13 | P | 75.9 | Confident | 66.8 | Low | 89 Ų | 89 | 112.1 Ų | 112.1 | 58% | 0.578 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -65.8 | 131.6 | 172 | -17.3 | 30.1 | 0 | 0 | 0 | 111.3 | L18 | P13-L18 HydrophobicContact CB-CD2 4.12Å; P13-L18 HydrophobicContact CG-CD2 4.49Å |
| 14 | K | 75.4 | Confident | 67.6 | Low | 112 Ų | 112 | 106.7 Ų | 106.7 | 49% | 0.487 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.3 | 169.2 | 168.5 | -68.4 | -62.9 | -176 | 178.4 | 0 | 110.5 | I12 G16 Y17 L19 | I12-K14 PolarHBondContact O-N 3.43Å; K14-G16 VanDerWaalsContact C-N 3.33Å; K14-G16 PolarHBondContact O-N 3.39Å; K14-Y17 CarbonylContact C-O 3.51Å; K14-Y17 WeakPolarHBondContact CA-O 3.26Å; K14-Y17 HydrophobicContact CB-CD1 4.49Å; K14-Y17 HydrophobicContact CB-CD2 4.05Å; K14-Y17 HydrophobicContact CB-CE1 4.17Å; K14-Y17 HydrophobicContact CB-CE2 3.69Å; K14-Y17 HydrophobicContact CB-CG 4.43Å; K14-Y17 HydrophobicContact CG-CE2 3.93Å; K14-Y17 PolarHBondContact N-O 3.28Å; K14-Y17 PolarHBondContact O-N 3.04Å; K14-Y17 VanDerWaalsContact O-O 3.08Å; K14-L19 HydrophobicContact CG-CD1 3.69Å |
| 15 | E | 78.1 | Confident | 68.4 | Low | 151 Ų | 151 | 104.2 Ų | 104.2 | 71% | 0.706 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 87.3 | -179.7 | -146 | 70.6 | -109.9 | 0 | 0 | 110.2 | R147 | E15-R147 VanDerWaalsContact CG-NH2 3.31Å; E15-R147 IonicContact OE1-CZ 3.31Å; E15-R147 VanDerWaalsContact OE1-CZ 3.27Å; E15-R147 IonicContact OE1-NE 3.29Å; E15-R147 PolarHBondContact OE1-NE 2.91Å; E15-R147 IonicContact OE1-NH2 2.63Å; E15-R147 PolarHBondContact OE1-NH2 3.36Å |
| 16 | G | 74.9 | Confident | 68.4 | Low | 66 Ų | 66 | 107.3 Ų | 107.3 | 68% | 0.68 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.9 | 1.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | K14 | K14-G16 VanDerWaalsContact C-N 3.33Å; K14-G16 PolarHBondContact O-N 3.39Å |
| 17 | Y | 74.6 | Confident | 68.5 | Low | 140 Ų | 140 | 107.4 Ų | 107.4 | 55% | 0.549 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 163 | 174.8 | 57.5 | -86.1 | 0 | 0 | 0 | 111.4 | K14 L19 | K14-Y17 CarbonylContact C-O 3.51Å; K14-Y17 WeakPolarHBondContact CA-O 3.26Å; K14-Y17 HydrophobicContact CB-CD1 4.49Å; K14-Y17 HydrophobicContact CB-CD2 4.05Å; K14-Y17 HydrophobicContact CB-CE1 4.17Å; K14-Y17 HydrophobicContact CB-CE2 3.69Å; K14-Y17 HydrophobicContact CB-CG 4.43Å; K14-Y17 HydrophobicContact CG-CE2 3.93Å; K14-Y17 PolarHBondContact N-O 3.28Å; K14-Y17 PolarHBondContact O-N 3.04Å; K14-Y17 VanDerWaalsContact O-O 3.08Å; Y17-L19 HydrophobicContact CD2-CG 4.22Å; Y17-L19 HydrophobicContact CE2-CD1 3.96Å; Y17-L19 HydrophobicContact CE2-CG 3.87Å |
| 18 | L | 78.8 | Confident | 67.9 | Low | 69 Ų | 69 | 107.9 Ų | 107.9 | 36% | 0.361 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107 | 128.7 | 172 | -61.6 | -179.4 | 0 | 0 | 0 | 109.1 | V11 P13 L20 | V11-L18 HydrophobicContact CG1-CB 4.07Å; V11-L18 HydrophobicContact CG1-CD1 4.06Å; V11-L18 HydrophobicContact CG1-CD2 4.26Å; V11-L18 HydrophobicContact CG1-CG 4.36Å; P13-L18 HydrophobicContact CB-CD2 4.12Å; P13-L18 HydrophobicContact CG-CD2 4.49Å; L18-L20 HydrophobicContact CB-CD1 4.46Å |
| 19 | L | 76.1 | Confident | 67.1 | Low | 70 Ų | 70 | 108.5 Ų | 108.5 | 37% | 0.366 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.9 | 121.1 | 169 | -82.7 | 154.4 | 0 | 0 | 0 | 108.8 | V11 I12 K14 Y17 | V11-L19 WeakPolarHBondContact CA-O 3.33Å; I12-L19 HydrophobicContact CB-CB 4.36Å; I12-L19 PolarHBondContact N-O 3.16Å; I12-L19 PolarHBondContact O-N 3.17Å; K14-L19 HydrophobicContact CG-CD1 3.69Å; Y17-L19 HydrophobicContact CD2-CG 4.22Å; Y17-L19 HydrophobicContact CE2-CD1 3.96Å; Y17-L19 HydrophobicContact CE2-CG 3.87Å |
| 20 | L | 76.1 | Confident | 66.1 | Low | 102 Ų | 102 | 111.9 Ų | 111.9 | 53% | 0.534 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.9 | 120.7 | 167.7 | -93.1 | 66.4 | 0 | 0 | 0 | 108 | L9 V11 L18 | L9-L20 HydrophobicContact CD1-CB 4.1Å; L9-L20 HydrophobicContact CD1-CD2 4.14Å; L9-L20 HydrophobicContact CD1-CG 4.06Å; L9-L20 HydrophobicContact CD2-CD2 3.81Å; L9-L20 HydrophobicContact CD2-CG 4.03Å; L9-L20 HydrophobicContact CG-CD2 4.47Å; L9-L20 HydrophobicContact CG-CG 4.3Å; V11-L20 HydrophobicContact CG1-CD1 4.36Å; V11-L20 HydrophobicContact CG2-CD1 4.13Å; V11-L20 HydrophobicContact CG2-CG 4.32Å; L18-L20 HydrophobicContact CB-CD1 4.46Å |
| 21 | L | 69.6 | Low | 64.5 | Low | 71 Ų | 71 | 114.7 Ų | 114.7 | 37% | 0.372 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.3 | 119.2 | 174.4 | -65.7 | 170.6 | 0 | 0 | 0 | 108.7 | K10 I12 F23 | K10-L21 PolarHBondContact N-O 3.17Å; K10-L21 VanDerWaalsContact N-O 3.11Å; K10-L21 PolarHBondContact O-N 3.28Å; I12-L21 HydrophobicContact CD1-CD1 3.63Å; I12-L21 HydrophobicContact CG1-CD1 4.45Å; L21-F23 HydrophobicContact CB-CE2 4.18Å |
| 22 | D | 64.4 | Low | 63 | Low | 114 Ų | 114 | 117.3 Ų | 117.3 | 61% | 0.61 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.1 | 114.2 | 170.1 | -71.2 | -22.4 | 0 | 0 | 0 | 108.1 | L9 | L9-D22 WeakPolarHBondContact CD1-OD1 3.32Å |
| 23 | F | 53.1 | Low | 61.4 | Low | 118 Ų | 118 | 118.8 Ų | 118.8 | 52% | 0.518 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 96.5 | 162.3 | -65.6 | -85.4 | 0 | 0 | 0 | 106.1 | K10 L21 D25 | K10-F23 HydrophobicContact CB-CE2 4.12Å; L21-F23 HydrophobicContact CB-CE2 4.18Å; F23-D25 PolarHBondContact O-N 3.16Å |
| 24 | D | 59 | Low | 59.8 | Low | 98 Ų | 98 | 122.6 Ų | 122.6 | 52% | 0.524 | 64% | 0.635 | S | S | . | * | trans | -64.9 | 128.1 | 157.6 | -89.5 | -29.9 | 0 | 0 | 0 | 106 | K7 E26 | K7-D24 WeakPolarHBondContact CE-OD1 3.43Å; K7-D24 IonicContact NZ-OD1 2.96Å; K7-D24 PolarHBondContact NZ-OD1 3.24Å; K7-D24 IonicContact NZ-OD2 2.73Å; K7-D24 PolarHBondContact NZ-OD2 2.96Å; D24-E26 PolarHBondContact O-N 2.94Å | ||
| 25 | D | 57.1 | Low | 58 | Low | 124 Ų | 124 | 126.3 Ų | 126.3 | 66% | 0.663 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -67.5 | 19.4 | -174.7 | -89.6 | -30.8 | 0 | 0 | 0 | 112.5 | K8 F23 | K8-D25 IonicContact NZ-OD1 2.9Å; K8-D25 PolarHBondContact NZ-OD1 3.43Å; K8-D25 IonicContact NZ-OD2 3.27Å; K8-D25 PolarHBondContact NZ-OD2 3.37Å; F23-D25 PolarHBondContact O-N 3.16Å |
| 26 | E | 56.5 | Low | 56.2 | Low | 157 Ų | 157 | 123 Ų | 123 | 73% | 0.734 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -110.7 | 135.5 | 170.8 | -64.1 | -133.1 | 170.5 | 0 | 0 | 109 | D24 D28 | D24-E26 PolarHBondContact O-N 2.94Å; E26-D28 PolarHBondContact O-N 3.11Å |
| 27 | D | 51.3 | Low | 54.5 | Low | 169 Ų | 169 | 127.2 Ų | 127.2 | 90% | 0.904 | 66% | 0.659 | S | S | * | * | trans | -62.5 | 48 | -172.3 | -63.2 | -68.7 | 0 | 0 | 0 | 115 | D29 | D27-D29 PolarHBondContact O-N 2.85Š| ||
| 28 | D | 49.8 | Very low | 52.9 | Low | 144 Ų | 144 | 124.9 Ų | 124.9 | 77% | 0.77 | 66% | 0.663 | S | S | * | * | trans | -84.6 | 103.2 | 175.2 | -77.8 | -29.9 | 0 | 0 | 0 | 109 | E26 I30 | E26-D28 PolarHBondContact O-N 3.11Å; D28-I30 PolarHBondContact O-N 2.93Å | ||
| 29 | D | 47.9 | Very low | 51 | Low | 140 Ų | 140 | 130.5 Ų | 130.5 | 75% | 0.749 | 69% | 0.687 | S | S | * | * | trans | -27.8 | 123.2 | 165.6 | -74.1 | -46.3 | 0 | 0 | 0 | 111.2 | D27 K31 | D27-D29 PolarHBondContact O-N 2.85Å; D29-K31 VanDerWaalsContact C-N 3.26Å; D29-K31 WeakPolarHBondContact O-CG 3.35Å; D29-K31 PolarHBondContact O-N 3.17Å | ||
| 30 | I | 46.1 | Very low | 49.3 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 82% | 0.821 | 70% | 0.704 | S | S | * | * | trans | -45.5 | 86.2 | -179.8 | -33.5 | 166.6 | 0 | 0 | 0 | 109.7 | D28 V32 | D28-I30 PolarHBondContact O-N 2.93Å; I30-V32 VanDerWaalsContact C-N 3.25Å; I30-V32 HydrophobicContact CG2-CG2 4.29Å; I30-V32 PolarHBondContact O-N 3.08Å | ||
| 31 | K | 41.7 | Very low | 47.8 | Very low | 185 Ų | 185 | 137.2 Ų | 137.2 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | trans | -76.5 | 90.4 | 176.3 | -64.8 | -137.7 | -177.8 | -174.3 | 0 | 105.9 | D29 S33 | D29-K31 VanDerWaalsContact C-N 3.26Å; D29-K31 WeakPolarHBondContact O-CG 3.35Å; D29-K31 PolarHBondContact O-N 3.17Å; K31-S33 PolarHBondContact O-N 3.11Å | ||
| 32 | V | 40.7 | Very low | 46.5 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | trans | -66.9 | 75.9 | 163.3 | -177.1 | 0 | 0 | 0 | 0 | 106.4 | I30 E34 | I30-V32 VanDerWaalsContact C-N 3.25Å; I30-V32 HydrophobicContact CG2-CG2 4.29Å; I30-V32 PolarHBondContact O-N 3.08Å; V32-E34 PolarHBondContact O-N 3.42Å | ||
| 33 | S | 42.3 | Very low | 45.3 | Very low | 90 Ų | 90 | 138.4 Ų | 138.4 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | trans | -76.6 | 106.6 | 166.8 | 45.7 | 0 | 0 | 0 | 0 | 106.9 | K31 E35 | K31-S33 PolarHBondContact O-N 3.11Å; S33-E35 PolarHBondContact O-N 3.37Å | ||
| 34 | E | 42.8 | Very low | 44.6 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -62.4 | -0.1 | 177.7 | -165.9 | 172 | 173 | 0 | 0 | 113.4 | V32 A36 | V32-E34 PolarHBondContact O-N 3.42Å; E34-A36 PolarHBondContact O-N 3.01Å |
| 35 | E | 38 | Very low | 43.5 | Very low | 190 Ų | 190 | 142.1 Ų | 142.1 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -87.4 | 8.2 | -169.1 | -67.3 | -163.1 | 150 | 0 | 0 | 116.2 | S33 | S33-E35 PolarHBondContact O-N 3.37Š|
| 36 | A | 39.9 | Very low | 42.6 | Very low | 82 Ų | 82 | 142.5 Ų | 142.5 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -114.4 | 23.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E34 S38 | E34-A36 PolarHBondContact O-N 3.01Å; A36-S38 PolarHBondContact O-N 2.95Å |
| 37 | L | 38.5 | Very low | 42.2 | Very low | 154 Ų | 154 | 145.1 Ų | 145.1 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | -71 | 60.1 | 156.9 | -64.9 | 178.5 | 0 | 0 | 0 | 109.1 | E39 | L37-E39 VanDerWaalsContact C-N 3.29Å; L37-E39 PolarHBondContact O-N 3.05Å | ||
| 38 | S | 40.8 | Very low | 41.4 | Very low | 90 Ų | 90 | 143.2 Ų | 143.2 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | trans | -64.2 | 105.7 | 159.3 | 63.6 | 0 | 0 | 0 | 0 | 105.1 | A36 V40 | A36-S38 PolarHBondContact O-N 2.95Å; S38-V40 PolarHBondContact O-N 2.77Å | ||
| 39 | E | 40.4 | Very low | 40.8 | Very low | 187 Ų | 187 | 144.9 Ų | 144.9 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -56.9 | 79.2 | 166.5 | -158.4 | 169.6 | -149.4 | 0 | 0 | 106.6 | L37 K41 | L37-E39 VanDerWaalsContact C-N 3.29Å; L37-E39 PolarHBondContact O-N 3.05Å; E39-K41 PolarHBondContact O-N 2.88Å | ||
| 40 | V | 39.3 | Very low | 40.3 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -67.5 | 91 | 170.4 | 173.3 | 0 | 0 | 0 | 0 | 103.7 | S38 S42 | S38-V40 PolarHBondContact O-N 2.77Å; V40-S42 PolarHBondContact O-N 3.17Å | ||
| 41 | K | 45.4 | Very low | 40.1 | Very low | 193 Ų | 193 | 144.8 Ų | 144.8 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -49.5 | 95.3 | 170 | -168.5 | 162.5 | -174.5 | 168.9 | 0 | 106.4 | E39 | E39-K41 PolarHBondContact O-N 2.88Š| ||
| 42 | S | 41.3 | Very low | 39.9 | Very low | 96 Ų | 96 | 140.4 Ų | 140.4 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | trans | -52.7 | 128.2 | 175.2 | 45.9 | 0 | 0 | 0 | 0 | 107 | V40 A44 | V40-S42 PolarHBondContact O-N 3.17Å; S42-A44 PolarHBondContact O-N 3.02Å | ||
| 43 | P | 39.2 | Very low | 40 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | trans | -51.6 | 134.7 | -179.6 | -21.8 | 30.4 | 0 | 0 | 0 | 109.1 | F45 | P43-F45 PolarHBondContact O-N 3.12Š| ||
| 44 | A | 39.5 | Very low | 39.6 | Very low | 90 Ų | 90 | 144.1 Ų | 144.1 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | trans | -49.7 | 111.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | S42 D46 | S42-A44 PolarHBondContact O-N 3.02Å; A44-D46 PolarHBondContact O-N 2.96Å | ||
| 45 | F | 34.9 | Very low | 39.2 | Very low | 203 Ų | 203 | 140.6 Ų | 140.6 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | -67.5 | 103.6 | 175.8 | -131.2 | -97 | 0 | 0 | 0 | 106 | P43 K47 | P43-F45 PolarHBondContact O-N 3.12Å; F45-K47 PolarHBondContact O-N 3.32Å | ||
| 46 | D | 39.7 | Very low | 39.1 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -57.4 | 110.1 | 174.1 | -88.1 | -36.8 | 0 | 0 | 0 | 107.9 | A44 N48 | A44-D46 PolarHBondContact O-N 2.96Å; D46-N48 PolarHBondContact O-N 3.23Å | ||
| 47 | K | 46.8 | Very low | 38.9 | Very low | 212 Ų | 212 | 139.8 Ų | 139.8 | 92% | 0.922 | 77% | 0.768 | S | S | * | * | trans | -71.3 | 76.2 | 174.1 | -64.1 | 179.8 | -178.6 | 178.8 | 0 | 108.3 | F45 | F45-K47 PolarHBondContact O-N 3.32Š| ||
| 48 | N | 33.9 | Very low | 38.8 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | trans | -126.6 | 92 | 161.4 | 77.6 | 82.6 | 0 | 0 | 0 | 108.7 | D46 | D46-N48 PolarHBondContact O-N 3.23Š| ||
| 49 | E | 37.9 | Very low | 39 | Very low | 179 Ų | 179 | 144 Ų | 144 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -165.1 | 115.6 | 130.6 | -116.5 | 177.2 | 167.5 | 0 | 0 | 108.2 | I51 | E49-I51 VanDerWaalsContact C-N 3.29Å; E49-I51 PolarHBondContact O-N 3.05Å | ||
| 50 | N | 37 | Very low | 39.4 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -72.2 | 80.7 | -179.7 | -173.7 | 1.6 | 0 | 0 | 0 | 108.4 | S52 | N50-S52 PolarHBondContact O-N 2.91Š| ||
| 51 | I | 41.4 | Very low | 39.9 | Very low | 146 Ų | 146 | 143.9 Ų | 143.9 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -88.4 | 89.8 | 162.5 | -54 | 177.8 | 0 | 0 | 0 | 105.7 | E49 P53 | E49-I51 VanDerWaalsContact C-N 3.29Å; E49-I51 PolarHBondContact O-N 3.05Å; I51-P53 VanDerWaalsContact O-CD 3.26Å; I51-P53 WeakPolarHBondContact O-CD 3.41Å | ||
| 52 | S | 38.4 | Very low | 39.4 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | trans | -50 | 118.3 | 167.3 | -119.8 | 0 | 0 | 0 | 0 | 108.7 | N50 Q54 | N50-S52 PolarHBondContact O-N 2.91Å; S52-Q54 PolarHBondContact O-N 2.95Å; S52-Q54 VanDerWaalsContact O-N 3.13Å | ||
| 53 | P | 42.1 | Very low | 39.6 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | -67.7 | 112.4 | 166.4 | -11.2 | 27.6 | 0 | 0 | 0 | 106.5 | I51 A55 | I51-P53 VanDerWaalsContact O-CD 3.26Å; I51-P53 WeakPolarHBondContact O-CD 3.41Å; P53-A55 PolarHBondContact O-N 3.47Å | ||
| 54 | Q | 34.7 | Very low | 40 | Very low | 175 Ų | 175 | 143.1 Ų | 143.1 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -54.6 | 122.5 | 170.4 | -166.2 | 178 | -76.9 | 0 | 0 | 108 | S52 E56 | S52-Q54 PolarHBondContact O-N 2.95Å; S52-Q54 VanDerWaalsContact O-N 3.13Å; Q54-E56 PolarHBondContact O-N 3.31Å | ||
| 55 | A | 33.7 | Very low | 40.5 | Very low | 95 Ų | 95 | 145.6 Ų | 145.6 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -60 | 113.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | P53 | P53-A55 PolarHBondContact O-N 3.47Š| ||
| 56 | E | 37.1 | Very low | 41 | Very low | 182 Ų | 182 | 141.8 Ų | 141.8 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | trans | -101.3 | 102.6 | 153.7 | -70.5 | -174.6 | -176.4 | 0 | 0 | 105.8 | Q54 | Q54-E56 PolarHBondContact O-N 3.31Š| ||
| 57 | A | 35.9 | Very low | 41.3 | Very low | 72 Ų | 72 | 140.9 Ų | 140.9 | 60% | 0.595 | 78% | 0.776 | S | S | * | * | trans | -68.4 | 159.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 58 | D | 35.4 | Very low | 41 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | 80.5 | 109.9 | 171.4 | -39.5 | -32.2 | 0 | 0 | 0 | 111.6 | ||||
| 59 | E | 46.1 | Very low | 41.5 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | -144.6 | 115.6 | 69.4 | -72.3 | 175.7 | 178.8 | 0 | 0 | 112.1 | M61 | E59-M61 PolarHBondContact O-N 2.98Š| |||
| 60 | D | 47.2 | Very low | 41.6 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -56.4 | 110.2 | 153.1 | 170.4 | 30.5 | 0 | 0 | 0 | 110.1 | ||||
| 61 | M | 49.8 | Very low | 42 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 77% | 0.768 | 78% | 0.777 | S | S | * | * | trans | -132.5 | 77 | 164.3 | -65.4 | -62.7 | -101.5 | 0 | 0 | 108 | E59 D63 | E59-M61 PolarHBondContact O-N 2.98Å; M61-D63 PolarHBondContact O-N 3.3Å | ||
| 62 | G | 36.6 | Very low | 42.1 | Very low | 64 Ų | 64 | 138 Ų | 138 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | trans | -65.2 | 105.4 | 162 | 0 | 0 | 0 | 0 | 0 | 110.5 | E64 | G62-E64 PolarHBondContact O-N 3.38Š| ||
| 63 | D | 44 | Very low | 42.1 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -94.9 | 88.1 | 161.3 | -79.6 | -21.5 | 0 | 0 | 0 | 108.5 | M61 V65 | M61-D63 PolarHBondContact O-N 3.3Å; D63-V65 PolarHBondContact O-N 2.94Å | ||
| 64 | E | 47.8 | Very low | 41.9 | Very low | 174 Ų | 174 | 140.7 Ų | 140.7 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | 13.8 | 100.6 | 139.6 | -158.1 | 166 | -160.7 | 0 | 0 | 115.5 | G62 D66 | G62-E64 PolarHBondContact O-N 3.38Å; E64-D66 PolarHBondContact O-N 3.22Å | ||
| 65 | V | 50.7 | Low | 42.2 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | -70.8 | 87.5 | 161.5 | -78.4 | 0 | 0 | 0 | 0 | 108.3 | D63 S67 | D63-V65 PolarHBondContact O-N 2.94Å; V65-S67 PolarHBondContact O-N 3.49Å | ||
| 66 | D | 44.3 | Very low | 42.5 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | trans | -56.4 | 111.7 | -179.1 | -163.9 | 8.1 | 0 | 0 | 0 | 110.7 | E64 M68 | E64-D66 PolarHBondContact O-N 3.22Å; D66-M68 PolarHBondContact O-N 2.94Å | ||
| 67 | S | 46.6 | Very low | 42.7 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | -85.8 | 82.2 | -173.6 | 60.4 | 0 | 0 | 0 | 0 | 110.3 | V65 | V65-S67 PolarHBondContact O-N 3.49Š| ||
| 68 | M | 41 | Very low | 42.8 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 82% | 0.823 | 77% | 0.772 | S | S | * | * | trans | -114.1 | 58.3 | 166 | -76.2 | -176.5 | 77.2 | 0 | 0 | 110.9 | D66 D70 | D66-M68 PolarHBondContact O-N 2.94Å; M68-D70 PolarHBondContact O-N 3.43Å | ||
| 69 | L | 43.1 | Very low | 43 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -86.5 | 91.5 | 157.7 | -88.5 | 170.6 | 0 | 0 | 0 | 107.5 | K71 | L69-K71 PolarHBondContact O-N 3.33Š| ||
| 70 | D | 41.4 | Very low | 42.5 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | -59.8 | 106.2 | 171.7 | -171.9 | 17.1 | 0 | 0 | 0 | 109.2 | M68 S72 | M68-D70 PolarHBondContact O-N 3.43Å; D70-S72 VanDerWaalsContact C-N 3.27Å; D70-S72 PolarHBondContact O-N 3.27Å; D70-S72 VanDerWaalsContact O-N 3.08Å | ||
| 71 | K | 45.5 | Very low | 42 | Very low | 191 Ų | 191 | 137.6 Ų | 137.6 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | trans | -80.7 | 76.2 | 176.4 | -65 | -176 | -177.5 | -180 | 0 | 108 | L69 E73 | L69-K71 PolarHBondContact O-N 3.33Å; K71-E73 VanDerWaalsContact C-N 3.27Å; K71-E73 PolarHBondContact O-N 2.73Å | ||
| 72 | S | 42.3 | Very low | 41.5 | Very low | 91 Ų | 91 | 137 Ų | 137 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | trans | -73.4 | 90.7 | 165.6 | 65.8 | 0 | 0 | 0 | 0 | 108.4 | D70 V74 | D70-S72 VanDerWaalsContact C-N 3.27Å; D70-S72 PolarHBondContact O-N 3.27Å; D70-S72 VanDerWaalsContact O-N 3.08Å; S72-V74 PolarHBondContact O-N 3.01Å | ||
| 73 | E | 38.4 | Very low | 41.7 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | -66.2 | 95 | 173.6 | -165 | 169.1 | -152 | 0 | 0 | 108.9 | K71 N75 | K71-E73 VanDerWaalsContact C-N 3.27Å; K71-E73 PolarHBondContact O-N 2.73Å; E73-N75 PolarHBondContact O-N 3.37Å; E73-N75 VanDerWaalsContact O-N 3.08Å | ||
| 74 | V | 39.3 | Very low | 41.3 | Very low | 102 Ų | 102 | 142 Ų | 142 | 62% | 0.618 | 78% | 0.776 | S | S | * | * | trans | -72.1 | 100.3 | 174 | 179.4 | 0 | 0 | 0 | 0 | 107.6 | S72 H76 | S72-V74 PolarHBondContact O-N 3.01Å; V74-H76 WeakPolarHBondContact CG1-CE1 3.45Å; V74-H76 PolarHBondContact O-CE1 3.21Å; V74-H76 VanDerWaalsContact O-CE1 3.27Å; V74-H76 PolarHBondContact O-N 2.9Å; V74-H76 PolarHBondContact O-ND1 3.46Å | ||
| 75 | N | 39.8 | Very low | 41.2 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | -70.8 | 117.1 | 169.1 | -76.6 | -62.1 | 0 | 0 | 0 | 109.3 | E73 P77 | E73-N75 PolarHBondContact O-N 3.37Å; E73-N75 VanDerWaalsContact O-N 3.08Å; N75-P77 WeakPolarHBondContact O-CD 3.35Å | ||
| 76 | H | 40.2 | Very low | 40.8 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 73% | 0.731 | 77% | 0.768 | S | S | * | * | trans | -97.7 | 109.3 | 173.5 | -55.3 | 48.7 | 0 | 0 | 0 | 107.1 | V74 A78 | V74-H76 WeakPolarHBondContact CG1-CE1 3.45Å; V74-H76 PolarHBondContact O-CE1 3.21Å; V74-H76 VanDerWaalsContact O-CE1 3.27Å; V74-H76 PolarHBondContact O-N 2.9Å; V74-H76 PolarHBondContact O-ND1 3.46Å; H76-A78 PolarHBondContact O-N 3.47Å | ||
| 77 | P | 41.2 | Very low | 41 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -73.8 | 123.6 | 172.8 | 7.2 | 5.3 | 0 | 0 | 0 | 109.2 | N75 I79 | N75-P77 WeakPolarHBondContact O-CD 3.35Å; P77-I79 PolarHBondContact O-N 3.5Å | ||
| 78 | A | 38.6 | Very low | 40.8 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -60.4 | 120.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | H76 G80 | H76-A78 PolarHBondContact O-N 3.47Å; A78-G80 PolarHBondContact O-N 3.03Å | ||
| 79 | I | 38.7 | Very low | 41 | Very low | 159 Ų | 159 | 140.7 Ų | 140.7 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | trans | -64.2 | 108.2 | 178.1 | -70.7 | 161.4 | 0 | 0 | 0 | 109.4 | P77 | P77-I79 PolarHBondContact O-N 3.5Š| ||
| 80 | G | 35.6 | Very low | 41 | Very low | 72 Ų | 72 | 143.1 Ų | 143.1 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | -73.2 | 122.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | A78 | A78-G80 PolarHBondContact O-N 3.03Š| ||
| 81 | K | 36.3 | Very low | 41.4 | Very low | 196 Ų | 196 | 138.7 Ų | 138.7 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | trans | -77.3 | 118 | 175.3 | -60.9 | 170.9 | 179.9 | 176.6 | 0 | 108.1 | ||||
| 82 | D | 39.5 | Very low | 41.8 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | -154.3 | 115.2 | 148.2 | -122.1 | -9.2 | 0 | 0 | 0 | 111.9 | ||||
| 83 | E | 40.4 | Very low | 42.6 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | trans | 49.2 | 91.7 | 139.1 | -64.3 | -177.3 | 172.5 | 0 | 0 | 120.5 | I85 | E83-I85 PolarHBondContact O-N 3Š| ||
| 84 | N | 35.6 | Very low | 44 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | 27.7 | 79.5 | 120 | -158.5 | -19.9 | 0 | 0 | 0 | 117.2 | |||||
| 85 | I | 46.3 | Very low | 45.4 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | -110.1 | 121.8 | 149.4 | -56.7 | 177.1 | 0 | 0 | 0 | 105.5 | E83 P87 | E83-I85 PolarHBondContact O-N 3Å; I85-P87 HydrophobicContact CG2-CG 4.24Å; I85-P87 VanDerWaalsContact O-CD 3.25Å; I85-P87 WeakPolarHBondContact O-CD 3.46Å | ||
| 86 | S | 42.5 | Very low | 47.2 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | -102.4 | 96.3 | 174 | 177.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 87 | P | 48.8 | Very low | 49.2 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | trans | -97.4 | 104.1 | 168.7 | 13.4 | 6.3 | 0 | 0 | 0 | 110.1 | I85 | I85-P87 HydrophobicContact CG2-CG 4.24Å; I85-P87 VanDerWaalsContact O-CD 3.25Å; I85-P87 WeakPolarHBondContact O-CD 3.46Å | ||
| 88 | Q | 41.9 | Very low | 51.2 | Low | 185 Ų | 185 | 135.7 Ų | 135.7 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | trans | 14.7 | 112.6 | 144.9 | -59.3 | -169.1 | 32.1 | 0 | 0 | 118.9 | K90 | Q88-K90 PolarHBondContact O-N 3.09Š| ||
| 89 | V | 44.7 | Very low | 53.4 | Low | 143 Ų | 143 | 134.6 Ų | 134.6 | 87% | 0.867 | 72% | 0.716 | S | S | * | * | trans | -29.2 | 106.5 | 152.7 | -179.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 90 | K | 44.5 | Very low | 55.7 | Low | 212 Ų | 212 | 128.7 Ų | 128.7 | 92% | 0.922 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -177.2 | 116.2 | 143.1 | -109.6 | 170.8 | 177.9 | 178.1 | 0 | 109.8 | Q88 | Q88-K90 PolarHBondContact O-N 3.09Š|
| 91 | G | 50 | Low | 58.2 | Low | 55 Ų | 55 | 127.3 Ų | 127.3 | 57% | 0.567 | 67% | 0.673 | S | S | * | * | trans | 120.6 | 17.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E93 | G91-E93 VanDerWaalsContact C-N 3.34Š| ||
| 92 | H | 52.5 | Low | 60.7 | Low | 138 Ų | 138 | 122.6 Ų | 122.6 | 64% | 0.639 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -79.5 | -12.9 | -176 | -151 | -72.4 | 0 | 0 | 0 | 114 | G96 | H92-G96 PolarHBondContact O-N 3.24Å |
| 93 | E | 59.5 | Low | 63.2 | Low | 180 Ų | 180 | 121.3 Ų | 121.3 | 84% | 0.841 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -72.3 | -39.9 | -179.4 | -72.1 | 178.4 | 174.6 | 0 | 0 | 112.4 | G91 G96 H97 | G91-E93 VanDerWaalsContact C-N 3.34Å; E93-G96 WeakPolarHBondContact O-CA 3.48Å; E93-G96 PolarHBondContact O-N 3.32Å; E93-G96 VanDerWaalsContact O-N 3.11Å; E93-H97 PolarHBondContact O-N 2.94Å |
| 94 | D | 68.1 | Low | 65.7 | Low | 132 Ų | 132 | 119.5 Ų | 119.5 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67.7 | -45.6 | -177.3 | -169 | 27.8 | 0 | 0 | 0 | 112.2 | G96 H97 E98 | D94-G96 PolarHBondContact O-N 3.42Å; D94-H97 PolarHBondContact O-N 3.44Å; D94-H97 VanDerWaalsContact O-N 3.17Å; D94-E98 PolarHBondContact O-N 3.48Å |
| 95 | R | 69.3 | Low | 68.4 | Low | 159 Ų | 159 | 118.6 Ų | 118.6 | 60% | 0.6 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -62 | -29.6 | 171.2 | -71.1 | -167.3 | -71.8 | 177.9 | -2.5 | 112.5 | V99 | R95-V99 WeakPolarHBondContact O-CB 3.48Å; R95-V99 VanDerWaalsContact O-CG2 3.22Å; R95-V99 WeakPolarHBondContact O-CG2 3.43Å; R95-V99 PolarHBondContact O-N 3.18Å |
| 96 | G | 77.9 | Confident | 70.5 | Confident | 38 Ų | 38 | 114.3 Ų | 114.3 | 39% | 0.392 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.7 | -40.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | H92 E93 D94 G100 | H92-G96 PolarHBondContact O-N 3.24Å; E93-G96 WeakPolarHBondContact O-CA 3.48Å; E93-G96 PolarHBondContact O-N 3.32Å; E93-G96 VanDerWaalsContact O-N 3.11Å; D94-G96 PolarHBondContact O-N 3.42Å; G96-G100 PolarHBondContact O-N 2.95Å |
| 97 | H | 80.9 | Confident | 73 | Confident | 146 Ų | 146 | 111 Ų | 111 | 68% | 0.676 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.1 | -43.8 | 176.6 | -173.6 | -76.9 | 0 | 0 | 0 | 112 | E93 D94 G100 S101 | E93-H97 PolarHBondContact O-N 2.94Å; D94-H97 PolarHBondContact O-N 3.44Å; D94-H97 VanDerWaalsContact O-N 3.17Å; H97-G100 PolarHBondContact O-N 3.11Å; H97-S101 PolarHBondContact O-N 2.88Å |
| 98 | E | 83.9 | Confident | 75.2 | Confident | 106 Ų | 106 | 109.3 Ų | 109.3 | 50% | 0.495 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -58.6 | -51.3 | 175.9 | -175.5 | 179 | -172.8 | 0 | 0 | 111.2 | D94 G100 S101 M102 | D94-E98 PolarHBondContact O-N 3.48Å; E98-G100 VanDerWaalsContact C-N 3.33Å; E98-G100 PolarHBondContact O-N 3.4Å; E98-S101 PolarHBondContact O-N 3.22Å; E98-S101 VanDerWaalsContact O-N 3.17Å; E98-S101 PolarHBondContact O-OG 3.34Å; E98-M102 HydrophobicContact CG-CE 3.71Å; E98-M102 HydrophobicContact CG-SD 4.37Å; E98-M102 WeakPolarHBondContact O-CG 3.49Å; E98-M102 PolarHBondContact O-N 3.2Å; E98-M102 WeakPolarHBondContact OE1-CE 3.4Å |
| 99 | V | 85.5 | Confident | 77.7 | Confident | 79 Ų | 79 | 104.8 Ų | 104.8 | 48% | 0.479 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.3 | -42.9 | 177.4 | 172 | 0 | 0 | 0 | 0 | 111.1 | R95 S101 M102 L103 | R95-V99 WeakPolarHBondContact O-CB 3.48Å; R95-V99 VanDerWaalsContact O-CG2 3.22Å; R95-V99 WeakPolarHBondContact O-CG2 3.43Å; R95-V99 PolarHBondContact O-N 3.18Å; V99-S101 VanDerWaalsContact C-N 3.34Å; V99-S101 PolarHBondContact O-N 2.99Å; V99-M102 PolarHBondContact O-N 3.47Å; V99-L103 HydrophobicContact CG1-CD1 3.95Å; V99-L103 HydrophobicContact CG1-CG 4.29Å; V99-L103 WeakPolarHBondContact O-CB 3.41Å; V99-L103 VanDerWaalsContact O-CG 3.29Å; V99-L103 WeakPolarHBondContact O-CG 3.48Å; V99-L103 PolarHBondContact O-N 3.36Å |
| 100 | G | 87 | Confident | 80.1 | Confident | 36 Ų | 36 | 102.9 Ų | 102.9 | 37% | 0.371 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57.6 | -44.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G96 H97 E98 L103 D104 | G96-G100 PolarHBondContact O-N 2.95Å; H97-G100 PolarHBondContact O-N 3.11Å; E98-G100 VanDerWaalsContact C-N 3.33Å; E98-G100 PolarHBondContact O-N 3.4Å; G100-L103 PolarHBondContact O-N 3.49Å; G100-D104 PolarHBondContact O-N 3.2Å |
| 101 | S | 87 | Confident | 82.7 | Confident | 42 Ų | 42 | 99.8 Ų | 99.8 | 29% | 0.294 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.5 | -34.8 | 177.6 | 78.9 | 0 | 0 | 0 | 0 | 113.3 | H97 E98 V99 K105 | H97-S101 PolarHBondContact O-N 2.88Å; E98-S101 PolarHBondContact O-N 3.22Å; E98-S101 VanDerWaalsContact O-N 3.17Å; E98-S101 PolarHBondContact O-OG 3.34Å; V99-S101 VanDerWaalsContact C-N 3.34Å; V99-S101 PolarHBondContact O-N 2.99Å; S101-K105 VanDerWaalsContact O-CG 3.28Å; S101-K105 WeakPolarHBondContact O-CG 3.43Å; S101-K105 PolarHBondContact O-N 3.31Å; S101-K105 VanDerWaalsContact O-N 3.15Å |
| 102 | M | 89.5 | Confident | 84.9 | Confident | 98 Ų | 98 | 101.9 Ų | 101.9 | 48% | 0.483 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69 | -39.7 | 175.1 | -71.1 | -179.3 | 177.6 | 0 | 0 | 111.3 | E98 V99 S106 | E98-M102 HydrophobicContact CG-CE 3.71Å; E98-M102 HydrophobicContact CG-SD 4.37Å; E98-M102 WeakPolarHBondContact O-CG 3.49Å; E98-M102 PolarHBondContact O-N 3.2Å; E98-M102 WeakPolarHBondContact OE1-CE 3.4Å; V99-M102 PolarHBondContact O-N 3.47Å; M102-S106 WeakPolarHBondContact O-CB 3.19Å; M102-S106 PolarHBondContact O-N 2.88Å; M102-S106 PolarHBondContact O-OG 2.99Å |
| 103 | L | 91.8 | Very high | 87 | Confident | 115 Ų | 115 | 99.6 Ų | 99.6 | 60% | 0.602 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.6 | -40.1 | 176.5 | -71.6 | 174.5 | 0 | 0 | 0 | 112.1 | V99 G100 S106 G107 | V99-L103 HydrophobicContact CG1-CD1 3.95Å; V99-L103 HydrophobicContact CG1-CG 4.29Å; V99-L103 WeakPolarHBondContact O-CB 3.41Å; V99-L103 VanDerWaalsContact O-CG 3.29Å; V99-L103 WeakPolarHBondContact O-CG 3.48Å; V99-L103 PolarHBondContact O-N 3.36Å; G100-L103 PolarHBondContact O-N 3.49Å; L103-S106 PolarHBondContact O-N 2.96Å; L103-G107 PolarHBondContact O-N 3.28Å |
| 104 | D | 92.1 | Very high | 88.8 | Confident | 126 Ų | 126 | 95.7 Ų | 95.7 | 67% | 0.674 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.1 | -48.2 | 176.8 | -170.8 | 47.2 | 0 | 0 | 0 | 111.4 | G100 S106 G107 D108 | G100-D104 PolarHBondContact O-N 3.2Å; D104-S106 PolarHBondContact O-N 3.16Å; D104-G107 PolarHBondContact O-N 2.95Å; D104-G107 VanDerWaalsContact O-N 3.16Å; D104-D108 PolarHBondContact O-N 3.35Å |
| 105 | K | 92.5 | Very high | 90.2 | Very high | 136 Ų | 136 | 92.8 Ų | 92.8 | 59% | 0.591 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57.4 | -47.1 | 172.7 | -71.2 | 171.6 | -176.2 | 174.9 | 0 | 112.1 | S101 G107 D108 D109 | S101-K105 VanDerWaalsContact O-CG 3.28Å; S101-K105 WeakPolarHBondContact O-CG 3.43Å; S101-K105 PolarHBondContact O-N 3.31Å; S101-K105 VanDerWaalsContact O-N 3.15Å; K105-G107 VanDerWaalsContact C-N 3.29Å; K105-G107 PolarHBondContact O-N 3.02Å; K105-D108 PolarHBondContact O-N 3.38Å; K105-D109 PolarHBondContact O-N 3.37Å |
| 106 | S | 91.4 | Very high | 91.5 | Very high | 58 Ų | 58 | 90.9 Ų | 90.9 | 41% | 0.406 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 177.4 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | M102 L103 D104 D109 I110 | M102-S106 WeakPolarHBondContact O-CB 3.19Å; M102-S106 PolarHBondContact O-N 2.88Å; M102-S106 PolarHBondContact O-OG 2.99Å; L103-S106 PolarHBondContact O-N 2.96Å; D104-S106 PolarHBondContact O-N 3.16Å; S106-D109 PolarHBondContact O-N 3.48Å; S106-I110 WeakPolarHBondContact O-CB 3.45Å; S106-I110 WeakPolarHBondContact O-CD1 3.5Å; S106-I110 WeakPolarHBondContact O-CG1 3.44Å; S106-I110 PolarHBondContact O-N 3.42Å |
| 107 | G | 94.1 | Very high | 92.5 | Very high | 37 Ų | 37 | 94.7 Ų | 94.7 | 38% | 0.381 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L103 D104 K105 I110 Y111 | L103-G107 PolarHBondContact O-N 3.28Å; D104-G107 PolarHBondContact O-N 2.95Å; D104-G107 VanDerWaalsContact O-N 3.16Å; K105-G107 VanDerWaalsContact C-N 3.29Å; K105-G107 PolarHBondContact O-N 3.02Å; G107-I110 PolarHBondContact O-N 3.24Å; G107-Y111 WeakPolarHBondContact O-CB 3.4Å; G107-Y111 PolarHBondContact O-N 3.41Å |
| 108 | D | 94.5 | Very high | 93.3 | Very high | 74 Ų | 74 | 93.8 Ų | 93.8 | 40% | 0.396 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 175.1 | -172.1 | 33.3 | 0 | 0 | 0 | 111.7 | D104 K105 Y111 K112 | D104-D108 PolarHBondContact O-N 3.35Å; K105-D108 PolarHBondContact O-N 3.38Å; D108-Y111 PolarHBondContact O-N 2.96Å; D108-K112 VanDerWaalsContact CG-CE 3.47Å; D108-K112 WeakPolarHBondContact O-CB 3.46Å; D108-K112 WeakPolarHBondContact O-CG 3.5Å; D108-K112 PolarHBondContact O-N 3.28Å; D108-K112 VanDerWaalsContact OD1-CE 3.3Å; D108-K112 WeakPolarHBondContact OD1-CE 3.46Å; D108-K112 IonicContact OD1-NZ 3.41Å; D108-K112 WeakPolarHBondContact OD2-CE 3.34Å; D108-K112 IonicContact OD2-NZ 3.77Å; D108-K112 PolarHBondContact OD2-NZ 3.29Å |
| 109 | D | 95.1 | Very high | 94 | Very high | 90 Ų | 90 | 93.7 Ų | 93.7 | 48% | 0.481 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 176.4 | -72.7 | -18.6 | 0 | 0 | 0 | 112.2 | K105 S106 T113 | K105-D109 PolarHBondContact O-N 3.37Å; S106-D109 PolarHBondContact O-N 3.48Å; D109-T113 WeakPolarHBondContact O-CB 3.42Å; D109-T113 PolarHBondContact O-N 3.04Å; D109-T113 PolarHBondContact O-OG1 3.44Å |
| 110 | I | 96.2 | Very high | 94.6 | Very high | 104 Ų | 104 | 97.9 Ų | 97.9 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 172.6 | -70.1 | 163.8 | 0 | 0 | 0 | 110 | S106 G107 T113 L114 | S106-I110 WeakPolarHBondContact O-CB 3.45Å; S106-I110 WeakPolarHBondContact O-CD1 3.5Å; S106-I110 WeakPolarHBondContact O-CG1 3.44Å; S106-I110 PolarHBondContact O-N 3.42Å; G107-I110 PolarHBondContact O-N 3.24Å; I110-T113 PolarHBondContact O-N 2.95Å; I110-L114 HydrophobicContact CG2-CD1 3.79Å; I110-L114 HydrophobicContact CG2-CG 4.29Å; I110-L114 WeakPolarHBondContact O-CB 3.48Å; I110-L114 VanDerWaalsContact O-CG 3.29Å; I110-L114 WeakPolarHBondContact O-CG 3.42Å; I110-L114 PolarHBondContact O-N 2.89Å |
| 111 | Y | 97 | Very high | 95.1 | Very high | 146 Ų | 146 | 99.9 Ų | 99.9 | 57% | 0.573 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60 | -48.5 | 179.9 | 177.2 | -93.6 | 0 | 0 | 0 | 111.8 | G107 D108 T113 L114 H115 | G107-Y111 WeakPolarHBondContact O-CB 3.4Å; G107-Y111 PolarHBondContact O-N 3.41Å; D108-Y111 PolarHBondContact O-N 2.96Å; Y111-T113 PolarHBondContact O-N 2.94Å; Y111-L114 PolarHBondContact O-N 3Å; Y111-H115 WeakPolarHBondContact O-CB 3.4Å; Y111-H115 PolarHBondContact O-N 3.43Å |
| 112 | K | 96.9 | Very high | 95.5 | Very high | 99 Ų | 99 | 102.4 Ų | 102.4 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 177.3 | -73.4 | 171.2 | -172 | 158 | 0 | 111.6 | D108 L114 H115 I116 | D108-K112 VanDerWaalsContact CG-CE 3.47Å; D108-K112 WeakPolarHBondContact O-CB 3.46Å; D108-K112 WeakPolarHBondContact O-CG 3.5Å; D108-K112 PolarHBondContact O-N 3.28Å; D108-K112 VanDerWaalsContact OD1-CE 3.3Å; D108-K112 WeakPolarHBondContact OD1-CE 3.46Å; D108-K112 IonicContact OD1-NZ 3.41Å; D108-K112 WeakPolarHBondContact OD2-CE 3.34Å; D108-K112 IonicContact OD2-NZ 3.77Å; D108-K112 PolarHBondContact OD2-NZ 3.29Å; K112-L114 PolarHBondContact O-N 3.35Å; K112-H115 WeakPolarHBondContact O-CB 3.45Å; K112-H115 PolarHBondContact O-N 3.01Å; K112-I116 WeakPolarHBondContact O-CG1 3.34Å; K112-I116 PolarHBondContact O-N 3.26Å |
| 113 | T | 97.2 | Very high | 95.8 | Very high | 90 Ų | 90 | 101.6 Ų | 101.6 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.4 | -47.1 | 179.1 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | D109 I110 Y111 H115 I116 K117 | D109-T113 WeakPolarHBondContact O-CB 3.42Å; D109-T113 PolarHBondContact O-N 3.04Å; D109-T113 PolarHBondContact O-OG1 3.44Å; I110-T113 PolarHBondContact O-N 2.95Å; Y111-T113 PolarHBondContact O-N 2.94Å; T113-H115 VanDerWaalsContact C-N 3.33Å; T113-H115 PolarHBondContact O-N 3.24Å; T113-I116 PolarHBondContact O-N 3.32Å; T113-K117 WeakPolarHBondContact O-CB 3.23Å; T113-K117 PolarHBondContact O-N 3.05Å |
| 114 | L | 97.3 | Very high | 95.9 | Very high | 98 Ų | 98 | 102.8 Ų | 102.8 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -37.4 | 176.5 | -71.8 | 176.4 | 0 | 0 | 0 | 112.3 | I110 Y111 K112 R118 | I110-L114 HydrophobicContact CG2-CD1 3.79Å; I110-L114 HydrophobicContact CG2-CG 4.29Å; I110-L114 WeakPolarHBondContact O-CB 3.48Å; I110-L114 VanDerWaalsContact O-CG 3.29Å; I110-L114 WeakPolarHBondContact O-CG 3.42Å; I110-L114 PolarHBondContact O-N 2.89Å; Y111-L114 PolarHBondContact O-N 3Å; K112-L114 PolarHBondContact O-N 3.35Å; L114-R118 WeakPolarHBondContact O-CB 3.5Å; L114-R118 PolarHBondContact O-N 3.46Å |
| 115 | H | 97.2 | Very high | 96 | Very high | 71 Ų | 71 | 100.3 Ų | 100.3 | 33% | 0.329 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.3 | -46.6 | 177 | -167.8 | 86.8 | 0 | 0 | 0 | 111.8 | Y111 K112 T113 R118 K119 | Y111-H115 WeakPolarHBondContact O-CB 3.4Å; Y111-H115 PolarHBondContact O-N 3.43Å; K112-H115 WeakPolarHBondContact O-CB 3.45Å; K112-H115 PolarHBondContact O-N 3.01Å; T113-H115 VanDerWaalsContact C-N 3.33Å; T113-H115 PolarHBondContact O-N 3.24Å; H115-R118 WeakPolarHBondContact O-CB 3.34Å; H115-R118 PolarHBondContact O-N 3.04Å; H115-K119 WeakPolarHBondContact O-CG 3.49Å; H115-K119 PolarHBondContact O-N 2.96Å |
| 116 | I | 97.4 | Very high | 96.1 | Very high | 119 Ų | 119 | 101 Ų | 101 | 61% | 0.61 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.7 | -48.7 | 176 | -67.6 | 164.8 | 0 | 0 | 0 | 110.3 | K112 T113 R118 K119 W120 | K112-I116 WeakPolarHBondContact O-CG1 3.34Å; K112-I116 PolarHBondContact O-N 3.26Å; T113-I116 PolarHBondContact O-N 3.32Å; I116-R118 VanDerWaalsContact C-N 3.29Å; I116-R118 PolarHBondContact O-N 3.16Å; I116-K119 PolarHBondContact O-N 3.39Å; I116-K119 VanDerWaalsContact O-N 3.13Å; I116-W120 PolarHBondContact O-N 3.48Å |
| 117 | K | 98.2 | Very high | 96.2 | Very high | 119 Ų | 119 | 103 Ų | 103 | 52% | 0.517 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.5 | -41.2 | 178.3 | -172.5 | 170.6 | -172 | -77.2 | 0 | 111.9 | T113 M121 | T113-K117 WeakPolarHBondContact O-CB 3.23Å; T113-K117 PolarHBondContact O-N 3.05Å; K117-M121 HydrophobicContact CG-CE 4.18Å; K117-M121 WeakPolarHBondContact O-CG 3.33Å; K117-M121 PolarHBondContact O-N 2.99Å |
| 118 | R | 98 | Very high | 96 | Very high | 127 Ų | 127 | 103.8 Ų | 103.8 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.1 | -49.1 | 174.5 | -175.5 | -172.9 | -59.9 | 153.3 | 3.3 | 111.4 | L114 H115 I116 W120 M121 E122 | L114-R118 WeakPolarHBondContact O-CB 3.5Å; L114-R118 PolarHBondContact O-N 3.46Å; H115-R118 WeakPolarHBondContact O-CB 3.34Å; H115-R118 PolarHBondContact O-N 3.04Å; I116-R118 VanDerWaalsContact C-N 3.29Å; I116-R118 PolarHBondContact O-N 3.16Å; R118-W120 VanDerWaalsContact C-N 3.33Å; R118-W120 PolarHBondContact O-N 3.37Å; R118-M121 PolarHBondContact O-N 3.09Å; R118-E122 HydrophobicContact CG-CG 4.42Å; R118-E122 WeakPolarHBondContact CG-OE1 3.45Å; R118-E122 WeakPolarHBondContact O-CG 3.4Å; R118-E122 PolarHBondContact O-N 3.29Å |
| 119 | K | 97.9 | Very high | 95.8 | Very high | 104 Ų | 104 | 105.2 Ų | 105.2 | 45% | 0.452 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 179.4 | -74.2 | -62.2 | -179.3 | -164.3 | 0 | 113.1 | H115 I116 E122 T123 | H115-K119 WeakPolarHBondContact O-CG 3.49Å; H115-K119 PolarHBondContact O-N 2.96Å; I116-K119 PolarHBondContact O-N 3.39Å; I116-K119 VanDerWaalsContact O-N 3.13Å; K119-E122 IonicContact NZ-OE2 2.74Å; K119-E122 PolarHBondContact NZ-OE2 3.01Å; K119-T123 WeakPolarHBondContact O-CB 3.31Å; K119-T123 PolarHBondContact O-N 3.42Å; K119-T123 VanDerWaalsContact O-N 3.07Å; K119-T123 PolarHBondContact O-OG1 2.99Å |
| 120 | W | 97.5 | Very high | 95.7 | Very high | 166 Ų | 166 | 107.7 Ų | 107.7 | 63% | 0.629 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62 | -49 | 174.3 | 177.7 | 83.4 | 0 | 0 | 0 | 111.5 | I116 R118 E122 T123 Y124 | I116-W120 PolarHBondContact O-N 3.48Å; R118-W120 VanDerWaalsContact C-N 3.33Å; R118-W120 PolarHBondContact O-N 3.37Å; W120-E122 PolarHBondContact O-N 2.95Å; W120-T123 PolarHBondContact O-N 3.14Å; W120-Y124 WeakPolarHBondContact O-CB 3.39Å; W120-Y124 PolarHBondContact O-N 3.32Å |
| 121 | M | 97.5 | Very high | 95.3 | Very high | 79 Ų | 79 | 104.7 Ų | 104.7 | 39% | 0.389 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 177.9 | -70.9 | -176.5 | -58.6 | 0 | 0 | 112.6 | K117 R118 T123 Y124 V125 | K117-M121 HydrophobicContact CG-CE 4.18Å; K117-M121 WeakPolarHBondContact O-CG 3.33Å; K117-M121 PolarHBondContact O-N 2.99Å; R118-M121 PolarHBondContact O-N 3.09Å; M121-T123 VanDerWaalsContact C-N 3.3Å; M121-T123 PolarHBondContact O-N 2.83Å; M121-Y124 PolarHBondContact O-N 2.94Å; M121-V125 WeakPolarHBondContact O-CB 3.39Å; M121-V125 VanDerWaalsContact O-CG2 3.27Å; M121-V125 WeakPolarHBondContact O-CG2 3.3Å; M121-V125 PolarHBondContact O-N 3.49Å |
| 122 | E | 96.2 | Very high | 95 | Very high | 94 Ų | 94 | 106.2 Ų | 106.2 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.8 | -44.9 | 176.6 | -76.7 | 172.6 | -172.9 | 0 | 0 | 111.3 | R118 K119 W120 K126 | R118-E122 HydrophobicContact CG-CG 4.42Å; R118-E122 WeakPolarHBondContact CG-OE1 3.45Å; R118-E122 WeakPolarHBondContact O-CG 3.4Å; R118-E122 PolarHBondContact O-N 3.29Å; K119-E122 IonicContact NZ-OE2 2.74Å; K119-E122 PolarHBondContact NZ-OE2 3.01Å; W120-E122 PolarHBondContact O-N 2.95Å; E122-K126 VanDerWaalsContact O-CB 3.3Å; E122-K126 WeakPolarHBondContact O-CB 3.35Å; E122-K126 PolarHBondContact O-N 3.23Å |
| 123 | T | 95.8 | Very high | 94.8 | Very high | 81 Ų | 81 | 105.6 Ų | 105.6 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.2 | -47.6 | 179.9 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | K119 W120 M121 V125 K126 E127 | K119-T123 WeakPolarHBondContact O-CB 3.31Å; K119-T123 PolarHBondContact O-N 3.42Å; K119-T123 VanDerWaalsContact O-N 3.07Å; K119-T123 PolarHBondContact O-OG1 2.99Å; W120-T123 PolarHBondContact O-N 3.14Å; M121-T123 VanDerWaalsContact C-N 3.3Å; M121-T123 PolarHBondContact O-N 2.83Å; T123-V125 VanDerWaalsContact C-N 3.34Å; T123-V125 PolarHBondContact O-N 3.25Å; T123-K126 PolarHBondContact O-N 2.96Å; T123-K126 VanDerWaalsContact O-N 3.15Å; T123-E127 HydrophobicContact CG2-CG 4.41Å; T123-E127 PolarHBondContact O-N 3.48Å |
| 124 | Y | 94.4 | Very high | 94.6 | Very high | 141 Ų | 141 | 106.5 Ų | 106.5 | 55% | 0.553 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -56 | -47.6 | 177.8 | 174.7 | -96.7 | 0 | 0 | 0 | 111.7 | W120 M121 S128 | W120-Y124 WeakPolarHBondContact O-CB 3.39Å; W120-Y124 PolarHBondContact O-N 3.32Å; M121-Y124 PolarHBondContact O-N 2.94Å; Y124-S128 VanDerWaalsContact O-CB 3.23Å; Y124-S128 WeakPolarHBondContact O-CB 3Å; Y124-S128 PolarHBondContact O-N 2.84Å; Y124-S128 PolarHBondContact O-OG 3.35Å |
| 125 | V | 94.8 | Very high | 94.5 | Very high | 73 Ų | 73 | 109.3 Ų | 109.3 | 44% | 0.442 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -48.5 | 176.1 | 170.3 | 0 | 0 | 0 | 0 | 110.1 | M121 T123 E127 S128 F129 | M121-V125 WeakPolarHBondContact O-CB 3.39Å; M121-V125 VanDerWaalsContact O-CG2 3.27Å; M121-V125 WeakPolarHBondContact O-CG2 3.3Å; M121-V125 PolarHBondContact O-N 3.49Å; T123-V125 VanDerWaalsContact C-N 3.34Å; T123-V125 PolarHBondContact O-N 3.25Å; V125-E127 PolarHBondContact O-N 3.27Å; V125-S128 PolarHBondContact O-N 2.9Å; V125-F129 HydrophobicContact CG1-CD2 3.7Å; V125-F129 HydrophobicContact CG1-CE2 3.86Å; V125-F129 VanDerWaalsContact O-CD2 3.29Å; V125-F129 WeakPolarHBondContact O-CD2 3.37Å; V125-F129 PolarHBondContact O-N 3.46Å |
| 126 | K | 94.7 | Very high | 94.4 | Very high | 151 Ų | 151 | 110.6 Ų | 110.6 | 66% | 0.657 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58 | -47.9 | -178.7 | -173.5 | -176.4 | 178.4 | -174.5 | 0 | 112.6 | E122 T123 F129 K130 | E122-K126 VanDerWaalsContact O-CB 3.3Å; E122-K126 WeakPolarHBondContact O-CB 3.35Å; E122-K126 PolarHBondContact O-N 3.23Å; T123-K126 PolarHBondContact O-N 2.96Å; T123-K126 VanDerWaalsContact O-N 3.15Å; K126-F129 PolarHBondContact O-N 2.74Å; K126-K130 WeakPolarHBondContact O-CB 3.21Å; K126-K130 PolarHBondContact O-N 3.25Å |
| 127 | E | 92.7 | Very high | 94.3 | Very high | 100 Ų | 100 | 109.8 Ų | 109.8 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.2 | -41.5 | 179.6 | -66.1 | -53 | 134.9 | 0 | 0 | 111.7 | T123 V125 F129 K130 G131 | T123-E127 HydrophobicContact CG2-CG 4.41Å; T123-E127 PolarHBondContact O-N 3.48Å; V125-E127 PolarHBondContact O-N 3.27Å; E127-F129 VanDerWaalsContact C-N 3.3Å; E127-F129 PolarHBondContact O-N 3.41Å; E127-K130 PolarHBondContact O-N 2.69Å; E127-G131 PolarHBondContact O-N 2.85Å |
| 128 | S | 89.9 | Confident | 94.3 | Very high | 53 Ų | 53 | 111.3 Ų | 111.3 | 37% | 0.371 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58 | -42 | 175.7 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | Y124 V125 R132 | Y124-S128 VanDerWaalsContact O-CB 3.23Å; Y124-S128 WeakPolarHBondContact O-CB 3Å; Y124-S128 PolarHBondContact O-N 2.84Å; Y124-S128 PolarHBondContact O-OG 3.35Å; V125-S128 PolarHBondContact O-N 2.9Å; S128-R132 WeakPolarHBondContact O-CB 3.21Å; S128-R132 PolarHBondContact O-N 3.34Å |
| 129 | F | 90.4 | Very high | 94.2 | Very high | 104 Ų | 104 | 111.9 Ų | 111.9 | 46% | 0.456 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -73.4 | -35 | 178.3 | -89.6 | -89.4 | 0 | 0 | 0 | 112.8 | V125 K126 E127 N133 | V125-F129 HydrophobicContact CG1-CD2 3.7Å; V125-F129 HydrophobicContact CG1-CE2 3.86Å; V125-F129 VanDerWaalsContact O-CD2 3.29Å; V125-F129 WeakPolarHBondContact O-CD2 3.37Å; V125-F129 PolarHBondContact O-N 3.46Å; K126-F129 PolarHBondContact O-N 2.74Å; E127-F129 VanDerWaalsContact C-N 3.3Å; E127-F129 PolarHBondContact O-N 3.41Å; F129-N133 WeakPolarHBondContact O-CB 3.44Å; F129-N133 PolarHBondContact O-N 3.28Å; F129-N133 PolarHBondContact O-ND2 3.38Å |
| 130 | K | 92.1 | Very high | 94.2 | Very high | 143 Ų | 143 | 110 Ų | 110 | 62% | 0.622 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.5 | -53.1 | -177.6 | -175.2 | -178 | 176.1 | -170 | 0 | 112.1 | K126 E127 Q134 | K126-K130 WeakPolarHBondContact O-CB 3.21Å; K126-K130 PolarHBondContact O-N 3.25Å; E127-K130 PolarHBondContact O-N 2.69Å; K130-Q134 PolarHBondContact O-N 2.9Å |
| 131 | G | 89.1 | Confident | 94.2 | Very high | 41 Ų | 41 | 107.4 Ų | 107.4 | 42% | 0.423 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E127 Q134 K135 | E127-G131 PolarHBondContact O-N 2.85Å; G131-Q134 PolarHBondContact O-N 3.36Å; G131-K135 PolarHBondContact O-N 3.4Å |
| 132 | R | 89.3 | Confident | 94.2 | Very high | 178 Ų | 178 | 108.2 Ų | 108.2 | 67% | 0.672 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.7 | -42.6 | -179.1 | -164.9 | 166.9 | 95.8 | 154.6 | 4.6 | 112.7 | S128 K135 L136 | S128-R132 WeakPolarHBondContact O-CB 3.21Å; S128-R132 PolarHBondContact O-N 3.34Å; R132-K135 PolarHBondContact O-N 3.01Å; R132-L136 PolarHBondContact O-N 3.11Å |
| 133 | N | 92.4 | Very high | 94.3 | Very high | 86 Ų | 86 | 107.1 Ų | 107.1 | 46% | 0.46 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 177.8 | -73.9 | -10.4 | 0 | 0 | 0 | 111.7 | F129 K135 L136 E137 | F129-N133 WeakPolarHBondContact O-CB 3.44Å; F129-N133 PolarHBondContact O-N 3.28Å; F129-N133 PolarHBondContact O-ND2 3.38Å; N133-K135 VanDerWaalsContact C-N 3.33Å; N133-K135 PolarHBondContact O-N 2.86Å; N133-L136 PolarHBondContact O-N 3.47Å; N133-E137 WeakPolarHBondContact O-CB 3.3Å; N133-E137 PolarHBondContact O-N 2.65Å |
| 134 | Q | 94.3 | Very high | 94.4 | Very high | 109 Ų | 109 | 109.6 Ų | 109.6 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 175.8 | -166.5 | -168.1 | 28.4 | 0 | 0 | 112.2 | K130 G131 R138 | K130-Q134 PolarHBondContact O-N 2.9Å; G131-Q134 PolarHBondContact O-N 3.36Å; Q134-R138 WeakPolarHBondContact O-CG 3.43Å; Q134-R138 PolarHBondContact O-N 2.92Å; Q134-R138 VanDerWaalsContact O-N 3.13Å; Q134-R138 PolarHBondContact O-NE 2.91Å |
| 135 | K | 95 | Very high | 94.5 | Very high | 156 Ų | 156 | 110.5 Ų | 110.5 | 68% | 0.678 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65 | -45.3 | 174.2 | -174.9 | 175.1 | -178.8 | 174.7 | 0 | 111.1 | G131 R132 N133 R138 F139 | G131-K135 PolarHBondContact O-N 3.4Å; R132-K135 PolarHBondContact O-N 3.01Å; N133-K135 VanDerWaalsContact C-N 3.33Å; N133-K135 PolarHBondContact O-N 2.86Å; K135-R138 PolarHBondContact O-N 3.33Å; K135-F139 PolarHBondContact O-N 3.43Å |
| 136 | L | 95.4 | Very high | 94.7 | Very high | 99 Ų | 99 | 112.2 Ų | 112.2 | 52% | 0.518 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 176.9 | 180 | 61.7 | 0 | 0 | 0 | 111.6 | R132 N133 R138 F139 C140 | R132-L136 PolarHBondContact O-N 3.11Å; N133-L136 PolarHBondContact O-N 3.47Å; L136-R138 VanDerWaalsContact C-N 3.35Å; L136-R138 PolarHBondContact O-N 2.94Å; L136-F139 WeakPolarHBondContact O-CB 3.46Å; L136-F139 PolarHBondContact O-N 3.18Å; L136-C140 PolarHBondContact O-N 2.99Å; L136-C140 PolarHBondContact O-SG 2.95Å |
| 137 | E | 95.6 | Very high | 94.9 | Very high | 101 Ų | 101 | 109.6 Ų | 109.6 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 178.4 | -173 | -173.7 | 174 | 0 | 0 | 111.9 | N133 C140 K141 | N133-E137 WeakPolarHBondContact O-CB 3.3Å; N133-E137 PolarHBondContact O-N 2.65Å; E137-C140 PolarHBondContact O-N 3.36Å; E137-K141 HydrophobicContact CG-CD 4.37Å; E137-K141 WeakPolarHBondContact O-CG 3.11Å; E137-K141 PolarHBondContact O-N 2.87Å; E137-K141 VanDerWaalsContact OE1-CE 3.24Å; E137-K141 WeakPolarHBondContact OE1-CE 3.27Å; E137-K141 IonicContact OE1-NZ 2.84Å; E137-K141 PolarHBondContact OE1-NZ 3.29Å |
| 138 | R | 97.3 | Very high | 95.1 | Very high | 152 Ų | 152 | 111.3 Ų | 111.3 | 57% | 0.574 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.2 | -45.5 | 175.3 | -77.9 | -176 | -82.7 | -175.9 | -6.9 | 111.7 | Q134 K135 L136 K141 M142 | Q134-R138 WeakPolarHBondContact O-CG 3.43Å; Q134-R138 PolarHBondContact O-N 2.92Å; Q134-R138 VanDerWaalsContact O-N 3.13Å; Q134-R138 PolarHBondContact O-NE 2.91Å; K135-R138 PolarHBondContact O-N 3.33Å; L136-R138 VanDerWaalsContact C-N 3.35Å; L136-R138 PolarHBondContact O-N 2.94Å; R138-K141 PolarHBondContact O-N 3.01Å; R138-M142 WeakPolarHBondContact O-CB 3.41Å; R138-M142 PolarHBondContact O-N 2.76Å |
| 139 | F | 96.4 | Very high | 95.5 | Very high | 138 Ų | 138 | 112.6 Ų | 112.6 | 61% | 0.605 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.4 | -47.6 | 177.4 | 177.9 | -97.9 | 0 | 0 | 0 | 111.9 | K135 L136 K141 M142 N143 | K135-F139 PolarHBondContact O-N 3.43Å; L136-F139 WeakPolarHBondContact O-CB 3.46Å; L136-F139 PolarHBondContact O-N 3.18Å; F139-K141 PolarHBondContact O-N 2.79Å; F139-M142 PolarHBondContact O-N 2.86Å; F139-N143 WeakPolarHBondContact O-CB 3.36Å; F139-N143 PolarHBondContact O-N 2.87Å |
| 140 | C | 97.4 | Very high | 95.8 | Very high | 65 Ų | 65 | 113.1 Ų | 113.1 | 44% | 0.439 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 177.5 | -70.2 | 0 | 0 | 0 | 0 | 112 | L136 E137 M142 N143 E144 | L136-C140 PolarHBondContact O-N 2.99Å; L136-C140 PolarHBondContact O-SG 2.95Å; E137-C140 PolarHBondContact O-N 3.36Å; C140-M142 PolarHBondContact O-N 3.47Å; C140-N143 PolarHBondContact O-N 3.28Å; C140-E144 WeakPolarHBondContact O-CB 3.32Å; C140-E144 PolarHBondContact O-N 3.46Å |
| 141 | K | 97.8 | Very high | 96.1 | Very high | 111 Ų | 111 | 109.3 Ų | 109.3 | 48% | 0.483 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 177.5 | -72.7 | 177.9 | -176 | 173.1 | 0 | 112.9 | E137 R138 F139 R145 | E137-K141 HydrophobicContact CG-CD 4.37Å; E137-K141 WeakPolarHBondContact O-CG 3.11Å; E137-K141 PolarHBondContact O-N 2.87Å; E137-K141 VanDerWaalsContact OE1-CE 3.24Å; E137-K141 WeakPolarHBondContact OE1-CE 3.27Å; E137-K141 IonicContact OE1-NZ 2.84Å; E137-K141 PolarHBondContact OE1-NZ 3.29Å; R138-K141 PolarHBondContact O-N 3.01Å; F139-K141 PolarHBondContact O-N 2.79Å; K141-R145 WeakPolarHBondContact O-CB 3.46Å; K141-R145 PolarHBondContact O-N 3.01Å; K141-R145 VanDerWaalsContact O-N 3.16Å |
| 142 | M | 97.8 | Very high | 96.5 | Very high | 96 Ų | 96 | 110.7 Ų | 110.7 | 47% | 0.473 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -51.2 | 175.7 | -171.4 | 70.5 | 84.2 | 0 | 0 | 110.4 | R138 F139 C140 E144 R145 E146 | R138-M142 WeakPolarHBondContact O-CB 3.41Å; R138-M142 PolarHBondContact O-N 2.76Å; F139-M142 PolarHBondContact O-N 2.86Å; C140-M142 PolarHBondContact O-N 3.47Å; M142-E144 VanDerWaalsContact C-N 3.34Å; M142-E144 PolarHBondContact O-N 3.46Å; M142-R145 WeakPolarHBondContact O-CB 3.46Å; M142-R145 PolarHBondContact O-N 2.77Å; M142-R145 VanDerWaalsContact O-N 3.12Å; M142-E146 PolarHBondContact O-N 3.07Å |
| 143 | N | 97.6 | Very high | 96.9 | Very high | 72 Ų | 72 | 107.6 Ų | 107.6 | 39% | 0.385 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | -179.8 | -178.7 | 69.1 | 0 | 0 | 0 | 112.3 | F139 C140 R145 E146 R147 | F139-N143 WeakPolarHBondContact O-CB 3.36Å; F139-N143 PolarHBondContact O-N 2.87Å; C140-N143 PolarHBondContact O-N 3.28Å; N143-R145 VanDerWaalsContact C-N 3.35Å; N143-R145 PolarHBondContact O-N 3.33Å; N143-E146 PolarHBondContact O-N 3.49Å; N143-R147 WeakPolarHBondContact O-CB 3.37Å; N143-R147 WeakPolarHBondContact O-CG 3.37Å; N143-R147 PolarHBondContact O-N 3.01Å |
| 144 | E | 97.5 | Very high | 97.1 | Very high | 133 Ų | 133 | 109.1 Ų | 109.1 | 62% | 0.621 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.4 | -44.1 | 174.4 | -173.2 | -173.2 | 166.8 | 0 | 0 | 111.7 | C140 M142 R147 K148 | C140-E144 WeakPolarHBondContact O-CB 3.32Å; C140-E144 PolarHBondContact O-N 3.46Å; M142-E144 VanDerWaalsContact C-N 3.34Å; M142-E144 PolarHBondContact O-N 3.46Å; E144-R147 PolarHBondContact O-N 3.49Å; E144-K148 WeakPolarHBondContact O-CB 3.48Å; E144-K148 PolarHBondContact O-N 2.82Å |
| 145 | R | 98.1 | Very high | 97.3 | Very high | 160 Ų | 160 | 105.8 Ų | 105.8 | 60% | 0.604 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.3 | -43.3 | 177.8 | -172.6 | -172.3 | -59.5 | 140.8 | 0.7 | 111.8 | K141 M142 N143 K148 N149 | K141-R145 WeakPolarHBondContact O-CB 3.46Å; K141-R145 PolarHBondContact O-N 3.01Å; K141-R145 VanDerWaalsContact O-N 3.16Å; M142-R145 WeakPolarHBondContact O-CB 3.46Å; M142-R145 PolarHBondContact O-N 2.77Å; M142-R145 VanDerWaalsContact O-N 3.12Å; N143-R145 VanDerWaalsContact C-N 3.35Å; N143-R145 PolarHBondContact O-N 3.33Å; R145-K148 PolarHBondContact O-N 3.36Å; R145-N149 WeakPolarHBondContact O-CB 3.34Å; R145-N149 PolarHBondContact O-N 2.87Å |
| 146 | E | 97.9 | Very high | 97.4 | Very high | 109 Ų | 109 | 104.1 Ų | 104.1 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.9 | -47.5 | 178 | -72.6 | -176 | 156.7 | 0 | 0 | 111.7 | M142 N143 K148 N149 I150 | M142-E146 PolarHBondContact O-N 3.07Å; N143-E146 PolarHBondContact O-N 3.49Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 PolarHBondContact O-N 3.34Å; E146-N149 WeakPolarHBondContact O-CB 3.34Å; E146-N149 PolarHBondContact O-N 3.49Å; E146-N149 VanDerWaalsContact O-N 3.16Å; E146-I150 WeakPolarHBondContact O-CG1 3.47Å; E146-I150 PolarHBondContact O-N 3.32Å |
| 147 | R | 98.2 | Very high | 97.5 | Very high | 95 Ų | 95 | 105.6 Ų | 105.6 | 36% | 0.358 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.1 | -45.1 | 174.8 | -73.3 | 175 | 67.3 | 86.1 | 6.3 | 111.4 | E15 N143 E144 I150 N151 | E15-R147 VanDerWaalsContact CG-NH2 3.31Å; E15-R147 IonicContact OE1-CZ 3.31Å; E15-R147 VanDerWaalsContact OE1-CZ 3.27Å; E15-R147 IonicContact OE1-NE 3.29Å; E15-R147 PolarHBondContact OE1-NE 2.91Å; E15-R147 IonicContact OE1-NH2 2.63Å; E15-R147 PolarHBondContact OE1-NH2 3.36Å; N143-R147 WeakPolarHBondContact O-CB 3.37Å; N143-R147 WeakPolarHBondContact O-CG 3.37Å; N143-R147 PolarHBondContact O-N 3.01Å; E144-R147 PolarHBondContact O-N 3.49Å; R147-I150 PolarHBondContact O-N 3.06Å; R147-N151 WeakPolarHBondContact O-CB 3.35Å; R147-N151 PolarHBondContact O-N 3.39Å |
| 148 | K | 98 | Very high | 97.6 | Very high | 136 Ų | 136 | 106.7 Ų | 106.7 | 59% | 0.591 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62 | -43.4 | 176.4 | -174.7 | 176.1 | -178.7 | 176.2 | 0 | 112.1 | E144 R145 E146 N151 N152 | E144-K148 WeakPolarHBondContact O-CB 3.48Å; E144-K148 PolarHBondContact O-N 2.82Å; R145-K148 PolarHBondContact O-N 3.36Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 PolarHBondContact O-N 3.34Å; K148-N151 PolarHBondContact O-N 3.24Å; K148-N152 WeakPolarHBondContact O-CB 3.42Å; K148-N152 PolarHBondContact O-N 2.89Å; K148-N152 PolarHBondContact O-OD1 2.97Å |
| 149 | N | 98.1 | Very high | 97.6 | Very high | 81 Ų | 81 | 103.8 Ų | 103.8 | 43% | 0.433 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 178.4 | -176.8 | 46.5 | 0 | 0 | 0 | 111.9 | R145 E146 N152 K153 | R145-N149 WeakPolarHBondContact O-CB 3.34Å; R145-N149 PolarHBondContact O-N 2.87Å; E146-N149 WeakPolarHBondContact O-CB 3.34Å; E146-N149 PolarHBondContact O-N 3.49Å; E146-N149 VanDerWaalsContact O-N 3.16Å; N149-N152 PolarHBondContact O-N 3.3Å; N149-K153 WeakPolarHBondContact O-CG 3.39Å; N149-K153 PolarHBondContact O-N 3.44Å |
| 150 | I | 97.4 | Very high | 97.7 | Very high | 115 Ų | 115 | 101.5 Ų | 101.5 | 59% | 0.59 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.8 | -47.9 | 176.9 | -67.2 | 166 | 0 | 0 | 0 | 110.4 | E146 R147 N152 K153 F154 | E146-I150 WeakPolarHBondContact O-CG1 3.47Å; E146-I150 PolarHBondContact O-N 3.32Å; R147-I150 PolarHBondContact O-N 3.06Å; I150-N152 VanDerWaalsContact C-N 3.35Å; I150-N152 PolarHBondContact O-N 3.28Å; I150-K153 PolarHBondContact O-N 2.82Å; I150-F154 PolarHBondContact O-N 2.94Å |
| 151 | N | 97.4 | Very high | 97.8 | Very high | 62 Ų | 62 | 102.6 Ų | 102.6 | 33% | 0.332 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 178.5 | -177.7 | 76.5 | 0 | 0 | 0 | 111.9 | R147 K148 K153 F154 C155 | R147-N151 WeakPolarHBondContact O-CB 3.35Å; R147-N151 PolarHBondContact O-N 3.39Å; K148-N151 PolarHBondContact O-N 3.24Å; N151-K153 PolarHBondContact O-N 2.78Å; N151-F154 PolarHBondContact O-N 3.43Å; N151-C155 WeakPolarHBondContact O-CB 3.36Å; N151-C155 PolarHBondContact O-N 2.69Å; N151-C155 PolarHBondContact O-SG 3.41Å |
| 152 | N | 98.1 | Very high | 97.8 | Very high | 70 Ų | 70 | 102.6 Ų | 102.6 | 37% | 0.374 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 177.8 | -74.4 | -1.3 | 0 | 0 | 0 | 111.8 | K148 N149 I150 F154 C155 E156 | K148-N152 WeakPolarHBondContact O-CB 3.42Å; K148-N152 PolarHBondContact O-N 2.89Å; K148-N152 PolarHBondContact O-OD1 2.97Å; N149-N152 PolarHBondContact O-N 3.3Å; I150-N152 VanDerWaalsContact C-N 3.35Å; I150-N152 PolarHBondContact O-N 3.28Å; N152-F154 VanDerWaalsContact C-N 3.31Å; N152-F154 PolarHBondContact O-N 3.01Å; N152-C155 PolarHBondContact O-N 2.75Å; N152-E156 WeakPolarHBondContact O-CB 3.4Å; N152-E156 WeakPolarHBondContact O-CG 3.49Å; N152-E156 PolarHBondContact O-N 3.43Å |
| 153 | K | 97.9 | Very high | 97.8 | Very high | 114 Ų | 114 | 103.7 Ų | 103.7 | 50% | 0.496 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.7 | -43 | 176.6 | -72.4 | 178.1 | 179.8 | -174.3 | 0 | 112 | N149 I150 N151 E156 Q157 | N149-K153 WeakPolarHBondContact O-CG 3.39Å; N149-K153 PolarHBondContact O-N 3.44Å; I150-K153 PolarHBondContact O-N 2.82Å; N151-K153 PolarHBondContact O-N 2.78Å; K153-E156 PolarHBondContact O-N 3.41Å; K153-Q157 WeakPolarHBondContact O-CG 3.47Å; K153-Q157 PolarHBondContact O-N 3.39Å |
| 154 | F | 96.5 | Very high | 97.8 | Very high | 117 Ų | 117 | 105.9 Ų | 105.9 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 176.9 | -177.3 | -96.7 | 0 | 0 | 0 | 111.9 | I150 N151 N152 E156 Q157 Y158 | I150-F154 PolarHBondContact O-N 2.94Å; N151-F154 PolarHBondContact O-N 3.43Å; N152-F154 VanDerWaalsContact C-N 3.31Å; N152-F154 PolarHBondContact O-N 3.01Å; F154-E156 PolarHBondContact O-N 2.93Å; F154-Q157 PolarHBondContact O-N 2.95Å; F154-Y158 PolarHBondContact O-N 3.44Å |
| 155 | C | 97.7 | Very high | 97.9 | Very high | 39 Ų | 39 | 102.7 Ų | 102.7 | 26% | 0.264 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 176.2 | -71.1 | 0 | 0 | 0 | 0 | 112 | N151 N152 Y158 I159 | N151-C155 WeakPolarHBondContact O-CB 3.36Å; N151-C155 PolarHBondContact O-N 2.69Å; N151-C155 PolarHBondContact O-SG 3.41Å; N152-C155 PolarHBondContact O-N 2.75Å; C155-Y158 PolarHBondContact O-N 2.89Å; C155-I159 WeakPolarHBondContact O-CB 3.34Å; C155-I159 WeakPolarHBondContact O-CD1 3.24Å; C155-I159 WeakPolarHBondContact O-CG1 3.49Å; C155-I159 PolarHBondContact O-N 3.16Å |
| 156 | E | 97.8 | Very high | 97.9 | Very high | 122 Ų | 122 | 102.2 Ų | 102.2 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.8 | -44.3 | 177.2 | -76.5 | 172.7 | -174.7 | 0 | 0 | 112 | N152 K153 F154 Y158 I159 T160 | N152-E156 WeakPolarHBondContact O-CB 3.4Å; N152-E156 WeakPolarHBondContact O-CG 3.49Å; N152-E156 PolarHBondContact O-N 3.43Å; K153-E156 PolarHBondContact O-N 3.41Å; F154-E156 PolarHBondContact O-N 2.93Å; E156-Y158 VanDerWaalsContact C-N 3.35Å; E156-Y158 PolarHBondContact O-N 2.9Å; E156-I159 PolarHBondContact O-N 2.97Å; E156-T160 WeakPolarHBondContact O-CB 3.38Å; E156-T160 PolarHBondContact O-N 3.12Å; E156-T160 PolarHBondContact O-OG1 3.16Å |
| 157 | Q | 98 | Very high | 97.9 | Very high | 129 Ų | 129 | 101.6 Ų | 101.6 | 60% | 0.603 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.5 | -44.6 | 175.2 | -74.5 | 179.7 | -5.9 | 0 | 0 | 111.8 | K153 F154 T161 | K153-Q157 WeakPolarHBondContact O-CG 3.47Å; K153-Q157 PolarHBondContact O-N 3.39Å; F154-Q157 PolarHBondContact O-N 2.95Å; Q157-T161 WeakPolarHBondContact O-CB 3.49Å; Q157-T161 PolarHBondContact O-N 3.47Å; Q157-T161 PolarHBondContact O-OG1 2.94Å |
| 158 | Y | 97.3 | Very high | 97.9 | Very high | 125 Ų | 125 | 100.2 Ų | 100.2 | 49% | 0.49 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -51.8 | 178.2 | -165.3 | -91.2 | 0 | 0 | 0 | 111 | F154 C155 E156 T160 T161 F162 | F154-Y158 PolarHBondContact O-N 3.44Å; C155-Y158 PolarHBondContact O-N 2.89Å; E156-Y158 VanDerWaalsContact C-N 3.35Å; E156-Y158 PolarHBondContact O-N 2.9Å; Y158-T160 VanDerWaalsContact C-N 3.32Å; Y158-T160 PolarHBondContact O-N 3.48Å; Y158-T161 PolarHBondContact O-N 3.31Å; Y158-F162 AromaticContact CD1-CD2 3.52Å; Y158-F162 HydrophobicContact CD1-CD2 3.52Å; Y158-F162 AromaticContact CD1-CE2 3.8Å; Y158-F162 HydrophobicContact CD1-CE2 3.8Å; Y158-F162 HydrophobicContact CD1-CG 4.34Å; Y158-F162 HydrophobicContact CD2-CD2 4.13Å; Y158-F162 AromaticContact CD2-CE2 3.78Å; Y158-F162 HydrophobicContact CD2-CE2 3.78Å; Y158-F162 AromaticContact CE1-CD2 3.34Å; Y158-F162 HydrophobicContact CE1-CD2 3.34Å; Y158-F162 HydrophobicContact CE1-CE1 4.45Å; Y158-F162 AromaticContact CE1-CE2 3.25Å; Y158-F162 HydrophobicContact CE1-CE2 3.25Å; Y158-F162 HydrophobicContact CE1-CG 4.04Å; Y158-F162 AromaticContact CE1-CZ 3.83Å; Y158-F162 HydrophobicContact CE1-CZ 3.83Å; Y158-F162 AromaticContact CE2-CD2 3.99Å; Y158-F162 HydrophobicContact CE2-CD2 3.99Å; Y158-F162 AromaticContact CE2-CE2 3.25Å; Y158-F162 HydrophobicContact CE2-CE2 3.25Å; Y158-F162 AromaticContact CE2-CZ 3.97Å; Y158-F162 HydrophobicContact CE2-CZ 3.97Å; Y158-F162 AromaticContact CG-CD2 3.93Å; Y158-F162 HydrophobicContact CG-CD2 3.93Å; Y158-F162 HydrophobicContact CG-CE2 4.04Å; Y158-F162 AromaticContact CZ-CD2 3.61Å; Y158-F162 AromaticContact CZ-CE2 2.95Å; Y158-F162 AromaticContact CZ-CZ 3.38Å; Y158-F162 VanDerWaalsContact O-CD2 3.3Å; Y158-F162 WeakPolarHBondContact O-CD2 3.37Å; Y158-F162 PolarHBondContact O-N 2.96Å; Y158-F162 VanDerWaalsContact OH-CE2 3.27Å; Y158-F162 WeakPolarHBondContact OH-CE2 3.44Å; Y158-F162 WeakPolarHBondContact OH-CZ 3.38Å |
| 159 | I | 97.7 | Very high | 98 | Very high | 91 Ų | 91 | 97.4 Ų | 97.4 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -56.2 | -47.9 | 179.4 | -69.6 | 163.9 | 0 | 0 | 0 | 110.6 | C155 E156 T161 F162 Q163 | C155-I159 WeakPolarHBondContact O-CB 3.34Å; C155-I159 WeakPolarHBondContact O-CD1 3.24Å; C155-I159 WeakPolarHBondContact O-CG1 3.49Å; C155-I159 PolarHBondContact O-N 3.16Å; E156-I159 PolarHBondContact O-N 2.97Å; I159-T161 VanDerWaalsContact C-N 3.35Å; I159-T161 PolarHBondContact O-N 3.37Å; I159-F162 PolarHBondContact O-N 2.97Å; I159-Q163 HydrophobicContact CG2-CG 4.36Å; I159-Q163 WeakPolarHBondContact O-CB 3.5Å; I159-Q163 VanDerWaalsContact O-CG 3.31Å; I159-Q163 WeakPolarHBondContact O-CG 3.26Å; I159-Q163 PolarHBondContact O-N 2.96Å |
| 160 | T | 98.3 | Very high | 98 | Very high | 89 Ų | 89 | 97.6 Ų | 97.6 | 55% | 0.546 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | -179.8 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | E156 Y158 K164 | E156-T160 WeakPolarHBondContact O-CB 3.38Å; E156-T160 PolarHBondContact O-N 3.12Å; E156-T160 PolarHBondContact O-OG1 3.16Å; Y158-T160 VanDerWaalsContact C-N 3.32Å; Y158-T160 PolarHBondContact O-N 3.48Å; T160-K164 WeakPolarHBondContact O-CB 3.16Å; T160-K164 PolarHBondContact O-N 2.64Å |
| 161 | T | 98 | Very high | 98 | Very high | 89 Ų | 89 | 97.6 Ų | 97.6 | 55% | 0.546 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 179.9 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | Q157 Y158 I159 K164 S165 | Q157-T161 WeakPolarHBondContact O-CB 3.49Å; Q157-T161 PolarHBondContact O-N 3.47Å; Q157-T161 PolarHBondContact O-OG1 2.94Å; Y158-T161 PolarHBondContact O-N 3.31Å; I159-T161 VanDerWaalsContact C-N 3.35Å; I159-T161 PolarHBondContact O-N 3.37Å; T161-K164 PolarHBondContact O-N 2.99Å; T161-S165 WeakPolarHBondContact O-CB 3.39Å; T161-S165 PolarHBondContact O-N 3.46Å |
| 162 | F | 98.1 | Very high | 98.1 | Very high | 110 Ų | 110 | 100.7 Ų | 100.7 | 48% | 0.482 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.4 | -41.3 | 179.2 | -89.3 | -93.6 | 0 | 0 | 0 | 112.6 | Y158 I159 K164 S165 Y166 | Y158-F162 AromaticContact CD1-CD2 3.52Å; Y158-F162 HydrophobicContact CD1-CD2 3.52Å; Y158-F162 AromaticContact CD1-CE2 3.8Å; Y158-F162 HydrophobicContact CD1-CE2 3.8Å; Y158-F162 HydrophobicContact CD1-CG 4.34Å; Y158-F162 HydrophobicContact CD2-CD2 4.13Å; Y158-F162 AromaticContact CD2-CE2 3.78Å; Y158-F162 HydrophobicContact CD2-CE2 3.78Å; Y158-F162 AromaticContact CE1-CD2 3.34Å; Y158-F162 HydrophobicContact CE1-CD2 3.34Å; Y158-F162 HydrophobicContact CE1-CE1 4.45Å; Y158-F162 AromaticContact CE1-CE2 3.25Å; Y158-F162 HydrophobicContact CE1-CE2 3.25Å; Y158-F162 HydrophobicContact CE1-CG 4.04Å; Y158-F162 AromaticContact CE1-CZ 3.83Å; Y158-F162 HydrophobicContact CE1-CZ 3.83Å; Y158-F162 AromaticContact CE2-CD2 3.99Å; Y158-F162 HydrophobicContact CE2-CD2 3.99Å; Y158-F162 AromaticContact CE2-CE2 3.25Å; Y158-F162 HydrophobicContact CE2-CE2 3.25Å; Y158-F162 AromaticContact CE2-CZ 3.97Å; Y158-F162 HydrophobicContact CE2-CZ 3.97Å; Y158-F162 AromaticContact CG-CD2 3.93Å; Y158-F162 HydrophobicContact CG-CD2 3.93Å; Y158-F162 HydrophobicContact CG-CE2 4.04Å; Y158-F162 AromaticContact CZ-CD2 3.61Å; Y158-F162 AromaticContact CZ-CE2 2.95Å; Y158-F162 AromaticContact CZ-CZ 3.38Å; Y158-F162 VanDerWaalsContact O-CD2 3.3Å; Y158-F162 WeakPolarHBondContact O-CD2 3.37Å; Y158-F162 PolarHBondContact O-N 2.96Å; Y158-F162 VanDerWaalsContact OH-CE2 3.27Å; Y158-F162 WeakPolarHBondContact OH-CE2 3.44Å; Y158-F162 WeakPolarHBondContact OH-CZ 3.38Å; I159-F162 PolarHBondContact O-N 2.97Å; F162-K164 VanDerWaalsContact C-N 3.33Å; F162-K164 PolarHBondContact O-N 2.9Å; F162-S165 PolarHBondContact O-N 3.01Å; F162-Y166 VanDerWaalsContact O-CB 3.3Å; F162-Y166 WeakPolarHBondContact O-CB 3.3Å; F162-Y166 PolarHBondContact O-N 2.92Å |
| 163 | Q | 98.5 | Very high | 98.1 | Very high | 119 Ų | 119 | 100.8 Ų | 100.8 | 56% | 0.556 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.6 | -44 | 174.2 | -75.9 | 178.5 | -16.5 | 0 | 0 | 111.3 | I159 Y166 M167 | I159-Q163 HydrophobicContact CG2-CG 4.36Å; I159-Q163 WeakPolarHBondContact O-CB 3.5Å; I159-Q163 VanDerWaalsContact O-CG 3.31Å; I159-Q163 WeakPolarHBondContact O-CG 3.26Å; I159-Q163 PolarHBondContact O-N 2.96Å; Q163-Y166 PolarHBondContact O-N 3.23Å; Q163-M167 WeakPolarHBondContact O-CG 3.33Å; Q163-M167 PolarHBondContact O-N 3.01Å |
| 164 | K | 98.4 | Very high | 98.1 | Very high | 119 Ų | 119 | 100.3 Ų | 100.3 | 52% | 0.517 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61 | -49 | 175.1 | -179.5 | 177.1 | 179.8 | -60.2 | 0 | 111.8 | T160 T161 F162 Y166 M167 D168 | T160-K164 WeakPolarHBondContact O-CB 3.16Å; T160-K164 PolarHBondContact O-N 2.64Å; T161-K164 PolarHBondContact O-N 2.99Å; F162-K164 VanDerWaalsContact C-N 3.33Å; F162-K164 PolarHBondContact O-N 2.9Å; K164-Y166 VanDerWaalsContact C-N 3.29Å; K164-Y166 PolarHBondContact O-N 3.45Å; K164-M167 PolarHBondContact O-N 3.43Å; K164-D168 IonicContact NZ-OD2 2.64Å; K164-D168 PolarHBondContact NZ-OD2 2.83Å; K164-D168 VanDerWaalsContact O-CG 3.26Å; K164-D168 PolarHBondContact O-N 3.39Å |
| 165 | S | 98.6 | Very high | 98.2 | Very high | 66 Ų | 66 | 100.6 Ų | 100.6 | 46% | 0.462 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58 | -42.9 | 177.3 | 177.6 | 0 | 0 | 0 | 0 | 111.8 | T161 F162 D168 V169 | T161-S165 WeakPolarHBondContact O-CB 3.39Å; T161-S165 PolarHBondContact O-N 3.46Å; F162-S165 PolarHBondContact O-N 3.01Å; S165-D168 PolarHBondContact O-N 3.32Å; S165-V169 WeakPolarHBondContact O-CG2 3.47Å; S165-V169 PolarHBondContact O-N 2.99Å |
| 166 | Y | 98.4 | Very high | 98.2 | Very high | 150 Ų | 150 | 103.8 Ų | 103.8 | 59% | 0.588 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.6 | -44.9 | 177.2 | -178.3 | -102 | 0 | 0 | 0 | 112.3 | F162 Q163 K164 D168 V169 Q170 | F162-Y166 VanDerWaalsContact O-CB 3.3Å; F162-Y166 WeakPolarHBondContact O-CB 3.3Å; F162-Y166 PolarHBondContact O-N 2.92Å; Q163-Y166 PolarHBondContact O-N 3.23Å; K164-Y166 VanDerWaalsContact C-N 3.29Å; K164-Y166 PolarHBondContact O-N 3.45Å; Y166-D168 VanDerWaalsContact C-N 3.34Å; Y166-D168 PolarHBondContact O-N 2.87Å; Y166-V169 PolarHBondContact O-N 3.21Å; Y166-Q170 HydrophobicContact CE1-CG 4.17Å; Y166-Q170 WeakPolarHBondContact O-CG 3.45Å; Y166-Q170 PolarHBondContact O-N 3.13Å; Y166-Q170 PolarHBondContact OH-NE2 3.3Å |
| 167 | M | 98.3 | Very high | 98.2 | Very high | 95 Ų | 95 | 103.8 Ų | 103.8 | 47% | 0.468 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 174.1 | -71.8 | -171.2 | -63.7 | 0 | 0 | 112.2 | Q163 K164 V169 Q170 K171 | Q163-M167 WeakPolarHBondContact O-CG 3.33Å; Q163-M167 PolarHBondContact O-N 3.01Å; K164-M167 PolarHBondContact O-N 3.43Å; M167-V169 VanDerWaalsContact C-N 3.33Å; M167-V169 PolarHBondContact O-N 3.36Å; M167-Q170 PolarHBondContact O-N 2.92Å; M167-K171 WeakPolarHBondContact O-CG 3.29Å; M167-K171 PolarHBondContact O-N 3.34Å |
| 168 | D | 98.5 | Very high | 98.2 | Very high | 67 Ų | 67 | 104.2 Ų | 104.2 | 36% | 0.358 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 178.5 | -69 | -19.9 | 0 | 0 | 0 | 110.8 | K164 S165 Y166 K171 F172 | K164-D168 IonicContact NZ-OD2 2.64Å; K164-D168 PolarHBondContact NZ-OD2 2.83Å; K164-D168 VanDerWaalsContact O-CG 3.26Å; K164-D168 PolarHBondContact O-N 3.39Å; S165-D168 PolarHBondContact O-N 3.32Å; Y166-D168 VanDerWaalsContact C-N 3.34Å; Y166-D168 PolarHBondContact O-N 2.87Å; D168-K171 PolarHBondContact O-N 2.97Å; D168-F172 WeakPolarHBondContact O-CB 3.23Å; D168-F172 PolarHBondContact O-N 3.19Å |
| 169 | V | 98.5 | Very high | 98.3 | Very high | 76 Ų | 76 | 102.1 Ų | 102.1 | 46% | 0.461 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 173.4 | 169.3 | 0 | 0 | 0 | 0 | 112.2 | S165 Y166 M167 F172 N173 | S165-V169 WeakPolarHBondContact O-CG2 3.47Å; S165-V169 PolarHBondContact O-N 2.99Å; Y166-V169 PolarHBondContact O-N 3.21Å; M167-V169 VanDerWaalsContact C-N 3.33Å; M167-V169 PolarHBondContact O-N 3.36Å; V169-F172 PolarHBondContact O-N 3.36Å; V169-N173 PolarHBondContact O-N 3.42Å; V169-N173 PolarHBondContact O-ND2 3.29Å; V169-N173 VanDerWaalsContact O-ND2 3.16Å |
| 170 | Q | 98.5 | Very high | 98.3 | Very high | 85 Ų | 85 | 101.8 Ų | 101.8 | 40% | 0.397 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -49.7 | 175.4 | -74.7 | -171.6 | -14.2 | 0 | 0 | 111.2 | Y166 M167 F172 N173 E174 | Y166-Q170 HydrophobicContact CE1-CG 4.17Å; Y166-Q170 WeakPolarHBondContact O-CG 3.45Å; Y166-Q170 PolarHBondContact O-N 3.13Å; Y166-Q170 PolarHBondContact OH-NE2 3.3Å; M167-Q170 PolarHBondContact O-N 2.92Å; Q170-F172 VanDerWaalsContact C-N 3.33Å; Q170-F172 PolarHBondContact O-N 3.41Å; Q170-N173 WeakPolarHBondContact O-CB 3.38Å; Q170-N173 PolarHBondContact O-N 2.88Å; Q170-N173 VanDerWaalsContact O-N 3.09Å; Q170-E174 PolarHBondContact O-N 3.45Å |
| 171 | K | 98.4 | Very high | 98.3 | Very high | 116 Ų | 116 | 101 Ų | 101 | 50% | 0.504 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.2 | -45.8 | 176.7 | -71.3 | 174.6 | -177.1 | 175.1 | 0 | 112.1 | M167 D168 N173 E174 E175 | M167-K171 WeakPolarHBondContact O-CG 3.29Å; M167-K171 PolarHBondContact O-N 3.34Å; D168-K171 PolarHBondContact O-N 2.97Å; K171-N173 VanDerWaalsContact C-N 3.3Å; K171-N173 PolarHBondContact O-N 3.06Å; K171-E174 PolarHBondContact O-N 3.33Å; K171-E175 PolarHBondContact O-N 3.13Å |
| 172 | F | 98.3 | Very high | 98.3 | Very high | 127 Ų | 127 | 100.2 Ų | 100.2 | 56% | 0.557 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.5 | -41.7 | 176.1 | 175 | -99.4 | 0 | 0 | 0 | 112.2 | D168 V169 Q170 E175 K176 | D168-F172 WeakPolarHBondContact O-CB 3.23Å; D168-F172 PolarHBondContact O-N 3.19Å; V169-F172 PolarHBondContact O-N 3.36Å; Q170-F172 VanDerWaalsContact C-N 3.33Å; Q170-F172 PolarHBondContact O-N 3.41Å; F172-E175 PolarHBondContact O-N 3.2Å; F172-K176 HydrophobicContact CE1-CD 4.29Å; F172-K176 VanDerWaalsContact O-CB 3.23Å; F172-K176 WeakPolarHBondContact O-CB 3.38Å; F172-K176 PolarHBondContact O-N 3.41Å |
| 173 | N | 98.3 | Very high | 98.3 | Very high | 71 Ų | 71 | 98.9 Ų | 98.9 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 178.3 | -80.5 | -42.3 | 0 | 0 | 0 | 112.7 | V169 Q170 K171 K176 E177 | V169-N173 PolarHBondContact O-N 3.42Å; V169-N173 PolarHBondContact O-ND2 3.29Å; V169-N173 VanDerWaalsContact O-ND2 3.16Å; Q170-N173 WeakPolarHBondContact O-CB 3.38Å; Q170-N173 PolarHBondContact O-N 2.88Å; Q170-N173 VanDerWaalsContact O-N 3.09Å; K171-N173 VanDerWaalsContact C-N 3.3Å; K171-N173 PolarHBondContact O-N 3.06Å; N173-K176 PolarHBondContact O-N 2.85Å; N173-K176 WeakPolarHBondContact OD1-CE 3.41Å; N173-E177 PolarHBondContact O-N 2.95Å |
| 174 | E | 98.3 | Very high | 98.3 | Very high | 105 Ų | 105 | 98 Ų | 98 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63 | -45 | 174.5 | -68.3 | 175.3 | -165.8 | 0 | 0 | 111.9 | Q170 K171 E177 K178 | Q170-E174 PolarHBondContact O-N 3.45Å; K171-E174 PolarHBondContact O-N 3.33Å; E174-E177 PolarHBondContact O-N 3.4Å; E174-K178 WeakPolarHBondContact O-CG 3.49Å; E174-K178 PolarHBondContact O-N 3.19Å |
| 175 | E | 98.2 | Very high | 98.3 | Very high | 122 Ų | 122 | 99.6 Ų | 99.6 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.4 | -40.6 | 176.6 | -73.2 | 179.3 | -174.5 | 0 | 0 | 112.3 | K171 F172 K178 S179 | K171-E175 PolarHBondContact O-N 3.13Å; F172-E175 PolarHBondContact O-N 3.2Å; E175-K178 PolarHBondContact O-N 3.34Å; E175-S179 PolarHBondContact O-N 3.46Å; E175-S179 PolarHBondContact O-OG 3.32Å |
| 176 | K | 98.1 | Very high | 98.2 | Very high | 106 Ų | 106 | 103 Ų | 103 | 46% | 0.461 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 174.1 | 179.8 | -176 | 69 | 103.4 | 0 | 111.2 | F172 N173 S179 V180 | F172-K176 HydrophobicContact CE1-CD 4.29Å; F172-K176 VanDerWaalsContact O-CB 3.23Å; F172-K176 WeakPolarHBondContact O-CB 3.38Å; F172-K176 PolarHBondContact O-N 3.41Å; N173-K176 PolarHBondContact O-N 2.85Å; N173-K176 WeakPolarHBondContact OD1-CE 3.41Å; K176-S179 PolarHBondContact O-N 2.95Å; K176-V180 WeakPolarHBondContact O-CG2 3.27Å; K176-V180 PolarHBondContact O-N 3.41Å |
| 177 | E | 98.3 | Very high | 98.2 | Very high | 123 Ų | 123 | 101 Ų | 101 | 58% | 0.575 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.8 | -43.8 | 178.1 | -174.9 | 175.7 | -179.1 | 0 | 0 | 111.9 | N173 E174 S179 V180 N181 | N173-E177 PolarHBondContact O-N 2.95Å; E174-E177 PolarHBondContact O-N 3.4Å; E177-S179 VanDerWaalsContact C-N 3.29Å; E177-S179 PolarHBondContact O-N 3.35Å; E177-V180 PolarHBondContact O-N 3.19Å; E177-N181 WeakPolarHBondContact O-CB 3.49Å; E177-N181 VanDerWaalsContact O-CG 3.29Å; E177-N181 PolarHBondContact O-N 3.05Å; E177-N181 PolarHBondContact O-ND2 3.31Å |
| 178 | K | 98.1 | Very high | 98.2 | Very high | 138 Ų | 138 | 101.8 Ų | 101.8 | 60% | 0.6 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -57 | -44.1 | 174.4 | -70.6 | 171.2 | -171.1 | 169.7 | 0 | 111.7 | E174 E175 N181 S182 | E174-K178 WeakPolarHBondContact O-CG 3.49Å; E174-K178 PolarHBondContact O-N 3.19Å; E175-K178 PolarHBondContact O-N 3.34Å; K178-N181 PolarHBondContact O-N 3.45Å; K178-S182 PolarHBondContact O-N 3.15Å |
| 179 | S | 97.9 | Very high | 98.2 | Very high | 80 Ų | 80 | 101.4 Ų | 101.4 | 56% | 0.559 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.8 | -43.3 | 179.1 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | E175 K176 E177 N181 S182 C183 | E175-S179 PolarHBondContact O-N 3.46Å; E175-S179 PolarHBondContact O-OG 3.32Å; K176-S179 PolarHBondContact O-N 2.95Å; E177-S179 VanDerWaalsContact C-N 3.29Å; E177-S179 PolarHBondContact O-N 3.35Å; S179-N181 VanDerWaalsContact C-N 3.34Å; S179-N181 PolarHBondContact O-N 3.38Å; S179-S182 PolarHBondContact O-N 3.03Å; S179-C183 WeakPolarHBondContact O-CB 3.33Å; S179-C183 PolarHBondContact O-N 3.4Å |
| 180 | V | 98.3 | Very high | 98.2 | Very high | 84 Ų | 84 | 103.8 Ų | 103.8 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 175.3 | 168.5 | 0 | 0 | 0 | 0 | 110.9 | K176 E177 S182 C183 Q184 | K176-V180 WeakPolarHBondContact O-CG2 3.27Å; K176-V180 PolarHBondContact O-N 3.41Å; E177-V180 PolarHBondContact O-N 3.19Å; V180-S182 VanDerWaalsContact C-N 3.33Å; V180-S182 PolarHBondContact O-N 2.85Å; V180-C183 PolarHBondContact O-N 3.4Å; V180-Q184 PolarHBondContact O-N 2.92Å |
| 181 | N | 98.1 | Very high | 98.2 | Very high | 72 Ų | 72 | 106 Ų | 106 | 39% | 0.385 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 178.4 | -72.2 | -29.1 | 0 | 0 | 0 | 112.2 | E177 K178 S179 K185 | E177-N181 WeakPolarHBondContact O-CB 3.49Å; E177-N181 VanDerWaalsContact O-CG 3.29Å; E177-N181 PolarHBondContact O-N 3.05Å; E177-N181 PolarHBondContact O-ND2 3.31Å; K178-N181 PolarHBondContact O-N 3.45Å; S179-N181 VanDerWaalsContact C-N 3.34Å; S179-N181 PolarHBondContact O-N 3.38Å; N181-K185 WeakPolarHBondContact O-CG 3.35Å; N181-K185 PolarHBondContact O-N 2.73Å |
| 182 | S | 98 | Very high | 98.1 | Very high | 74 Ų | 74 | 106.6 Ų | 106.6 | 52% | 0.517 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.3 | -48.4 | 175 | -168.1 | 0 | 0 | 0 | 0 | 111.7 | K178 S179 V180 Q184 K185 E186 | K178-S182 PolarHBondContact O-N 3.15Å; S179-S182 PolarHBondContact O-N 3.03Å; V180-S182 VanDerWaalsContact C-N 3.33Å; V180-S182 PolarHBondContact O-N 2.85Å; S182-Q184 VanDerWaalsContact C-N 3.3Å; S182-Q184 PolarHBondContact O-N 3.27Å; S182-K185 WeakPolarHBondContact O-CB 3.36Å; S182-K185 PolarHBondContact O-N 2.96Å; S182-K185 VanDerWaalsContact O-N 3.16Å; S182-E186 PolarHBondContact O-N 2.93Å |
| 183 | C | 98.1 | Very high | 98.1 | Very high | 81 Ų | 81 | 104.1 Ų | 104.1 | 55% | 0.547 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.2 | -40.2 | 178.3 | -179.3 | 0 | 0 | 0 | 0 | 112 | S179 V180 K185 E186 Q187 | S179-C183 WeakPolarHBondContact O-CB 3.33Å; S179-C183 PolarHBondContact O-N 3.4Å; V180-C183 PolarHBondContact O-N 3.4Å; C183-K185 PolarHBondContact O-N 2.9Å; C183-E186 PolarHBondContact O-N 3.24Å; C183-Q187 WeakPolarHBondContact O-CB 3.36Å; C183-Q187 PolarHBondContact O-N 2.83Å |
| 184 | Q | 98.5 | Very high | 98.1 | Very high | 101 Ų | 101 | 107.1 Ų | 107.1 | 47% | 0.472 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 176.5 | -175.2 | 177.2 | -6.9 | 0 | 0 | 112.4 | V180 S182 Q187 Q188 | V180-Q184 PolarHBondContact O-N 2.92Å; S182-Q184 VanDerWaalsContact C-N 3.3Å; S182-Q184 PolarHBondContact O-N 3.27Å; Q184-Q187 PolarHBondContact O-N 3.39Å; Q184-Q188 WeakPolarHBondContact O-CG 3.34Å; Q184-Q188 PolarHBondContact O-N 3.07Å; Q184-Q188 VanDerWaalsContact O-N 3.11Å |
| 185 | K | 98.1 | Very high | 98.1 | Very high | 152 Ų | 152 | 105.2 Ų | 105.2 | 66% | 0.661 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.3 | -44.7 | 175.7 | -72.5 | 176.3 | -179.3 | -179.9 | 0 | 111.4 | N181 S182 C183 Q187 Q188 A189 | N181-K185 WeakPolarHBondContact O-CG 3.35Å; N181-K185 PolarHBondContact O-N 2.73Å; S182-K185 WeakPolarHBondContact O-CB 3.36Å; S182-K185 PolarHBondContact O-N 2.96Å; S182-K185 VanDerWaalsContact O-N 3.16Å; C183-K185 PolarHBondContact O-N 2.9Å; K185-Q187 VanDerWaalsContact C-N 3.33Å; K185-Q187 PolarHBondContact O-N 2.91Å; K185-Q188 PolarHBondContact O-N 3.43Å; K185-A189 PolarHBondContact O-N 3.32Å |
| 186 | E | 98 | Very high | 98 | Very high | 139 Ų | 139 | 102.6 Ų | 102.6 | 65% | 0.65 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62 | -41.8 | 177 | -171.8 | 175.5 | -179 | 0 | 0 | 111.6 | S182 C183 Q188 A189 L190 | S182-E186 PolarHBondContact O-N 2.93Å; C183-E186 PolarHBondContact O-N 3.24Å; E186-Q188 VanDerWaalsContact C-N 3.29Å; E186-Q188 PolarHBondContact O-N 3.47Å; E186-A189 PolarHBondContact O-N 3.13Å; E186-L190 WeakPolarHBondContact O-CB 3.49Å; E186-L190 PolarHBondContact O-N 3.33Å |
| 187 | Q | 98.4 | Very high | 98 | Very high | 108 Ų | 108 | 103.8 Ų | 103.8 | 51% | 0.505 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.9 | -38.9 | 175.2 | -168.3 | -173.8 | 38.4 | 0 | 0 | 112.4 | C183 Q184 K185 K191 | C183-Q187 WeakPolarHBondContact O-CB 3.36Å; C183-Q187 PolarHBondContact O-N 2.83Å; Q184-Q187 PolarHBondContact O-N 3.39Å; K185-Q187 VanDerWaalsContact C-N 3.33Å; K185-Q187 PolarHBondContact O-N 2.91Å; Q187-K191 WeakPolarHBondContact O-CG 3.41Å; Q187-K191 PolarHBondContact O-N 2.93Å |
| 188 | Q | 98.1 | Very high | 98 | Very high | 111 Ų | 111 | 101.6 Ų | 101.6 | 52% | 0.519 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.8 | -45.5 | 175.4 | -71.6 | -179.9 | -3.8 | 0 | 0 | 111.7 | Q184 K185 E186 L190 K191 L192 | Q184-Q188 WeakPolarHBondContact O-CG 3.34Å; Q184-Q188 PolarHBondContact O-N 3.07Å; Q184-Q188 VanDerWaalsContact O-N 3.11Å; K185-Q188 PolarHBondContact O-N 3.43Å; E186-Q188 VanDerWaalsContact C-N 3.29Å; E186-Q188 PolarHBondContact O-N 3.47Å; Q188-L190 VanDerWaalsContact C-N 3.32Å; Q188-L190 PolarHBondContact O-N 3.41Å; Q188-K191 PolarHBondContact O-N 2.99Å; Q188-L192 PolarHBondContact O-N 2.94Å; Q188-L192 VanDerWaalsContact O-N 3.09Å |
| 189 | A | 98.1 | Very high | 97.9 | Very high | 58 Ų | 58 | 101.2 Ų | 101.2 | 48% | 0.479 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K185 E186 K191 L192 S193 | K185-A189 PolarHBondContact O-N 3.32Å; E186-A189 PolarHBondContact O-N 3.13Å; A189-K191 PolarHBondContact O-N 3.25Å; A189-L192 PolarHBondContact O-N 2.86Å; A189-S193 WeakPolarHBondContact O-CB 3.29Å; A189-S193 PolarHBondContact O-N 3.2Å |
| 190 | L | 98.2 | Very high | 97.9 | Very high | 126 Ų | 126 | 102 Ų | 102 | 66% | 0.66 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.7 | -41.8 | 177.3 | -170.9 | 76.4 | 0 | 0 | 0 | 112 | E186 Q188 S193 K194 | E186-L190 WeakPolarHBondContact O-CB 3.49Å; E186-L190 PolarHBondContact O-N 3.33Å; Q188-L190 VanDerWaalsContact C-N 3.32Å; Q188-L190 PolarHBondContact O-N 3.41Å; L190-S193 PolarHBondContact O-N 2.86Å; L190-K194 WeakPolarHBondContact O-CB 3.11Å; L190-K194 PolarHBondContact O-N 3.49Å |
| 191 | K | 97.9 | Very high | 97.9 | Very high | 133 Ų | 133 | 102.4 Ų | 102.4 | 58% | 0.578 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.2 | -43.7 | 176.5 | -75.9 | 173.8 | -179.1 | 176.9 | 0 | 111.8 | Q187 Q188 A189 K194 C195 | Q187-K191 WeakPolarHBondContact O-CG 3.41Å; Q187-K191 PolarHBondContact O-N 2.93Å; Q188-K191 PolarHBondContact O-N 2.99Å; A189-K191 PolarHBondContact O-N 3.25Å; K191-K194 PolarHBondContact O-N 3.03Å; K191-C195 PolarHBondContact O-N 3.47Å |
| 192 | L | 97.3 | Very high | 97.9 | Very high | 128 Ų | 128 | 103.4 Ų | 103.4 | 67% | 0.67 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.3 | -45.7 | 177.5 | -70.1 | 174.1 | 0 | 0 | 0 | 111.6 | Q188 A189 K194 C195 S196 | Q188-L192 PolarHBondContact O-N 2.94Å; Q188-L192 VanDerWaalsContact O-N 3.09Å; A189-L192 PolarHBondContact O-N 2.86Å; L192-K194 PolarHBondContact O-N 2.94Å; L192-C195 WeakPolarHBondContact O-CB 3.36Å; L192-C195 PolarHBondContact O-N 3.41Å; L192-S196 PolarHBondContact O-N 3.2Å |
| 193 | S | 98.2 | Very high | 97.9 | Very high | 74 Ų | 74 | 102.5 Ų | 102.5 | 52% | 0.517 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58 | -47.3 | 176.3 | -177.9 | 0 | 0 | 0 | 0 | 111.7 | A189 L190 C195 S196 Q197 | A189-S193 WeakPolarHBondContact O-CB 3.29Å; A189-S193 PolarHBondContact O-N 3.2Å; L190-S193 PolarHBondContact O-N 2.86Å; S193-C195 VanDerWaalsContact C-N 3.33Å; S193-C195 PolarHBondContact O-N 3.45Å; S193-S196 PolarHBondContact O-N 3.06Å; S193-Q197 WeakPolarHBondContact O-CB 3.4Å; S193-Q197 PolarHBondContact O-N 3.48Å |
| 194 | K | 98 | Very high | 97.8 | Very high | 134 Ų | 134 | 100.5 Ų | 100.5 | 58% | 0.583 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.4 | -40.2 | 176.6 | -174.2 | 175.4 | -179 | 176.8 | 0 | 112.5 | L190 K191 L192 N198 | L190-K194 WeakPolarHBondContact O-CB 3.11Å; L190-K194 PolarHBondContact O-N 3.49Å; K191-K194 PolarHBondContact O-N 3.03Å; L192-K194 PolarHBondContact O-N 2.94Å; K194-N198 WeakPolarHBondContact O-CB 3.3Å; K194-N198 VanDerWaalsContact O-CG 3.22Å; K194-N198 PolarHBondContact O-N 3.37Å |
| 195 | C | 97.9 | Very high | 97.8 | Very high | 65 Ų | 65 | 100.5 Ų | 100.5 | 44% | 0.439 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 177 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | K191 L192 S193 Q197 N198 Q199 | K191-C195 PolarHBondContact O-N 3.47Å; L192-C195 WeakPolarHBondContact O-CB 3.36Å; L192-C195 PolarHBondContact O-N 3.41Å; S193-C195 VanDerWaalsContact C-N 3.33Å; S193-C195 PolarHBondContact O-N 3.45Å; C195-Q197 PolarHBondContact O-N 2.77Å; C195-N198 PolarHBondContact O-N 2.97Å; C195-Q199 WeakPolarHBondContact O-CG 3.49Å; C195-Q199 PolarHBondContact O-N 2.99Å |
| 196 | S | 96.6 | Very high | 97.8 | Very high | 67 Ų | 67 | 98.3 Ų | 98.3 | 47% | 0.469 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 177.4 | 179.5 | 0 | 0 | 0 | 0 | 112.4 | L192 S193 N198 Q199 T200 | L192-S196 PolarHBondContact O-N 3.2Å; S193-S196 PolarHBondContact O-N 3.06Å; S196-N198 PolarHBondContact O-N 2.91Å; S196-Q199 PolarHBondContact O-N 2.63Å; S196-T200 PolarHBondContact O-N 3.23Å; S196-T200 PolarHBondContact O-OG1 3.43Å |
| 197 | Q | 97.9 | Very high | 97.7 | Very high | 131 Ų | 131 | 98 Ų | 98 | 61% | 0.612 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.8 | -43.6 | 176.4 | -172.5 | 179.2 | 21.7 | 0 | 0 | 111.6 | S193 C195 T200 L201 | S193-Q197 WeakPolarHBondContact O-CB 3.4Å; S193-Q197 PolarHBondContact O-N 3.48Å; C195-Q197 PolarHBondContact O-N 2.77Å; Q197-T200 PolarHBondContact O-N 3.37Å; Q197-L201 WeakPolarHBondContact O-CB 3.33Å; Q197-L201 PolarHBondContact O-N 2.93Å |
| 198 | N | 98.1 | Very high | 97.6 | Very high | 77 Ų | 77 | 98.1 Ų | 98.1 | 41% | 0.412 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 176.6 | -75.1 | -11.3 | 0 | 0 | 0 | 111.9 | K194 C195 S196 T200 L201 E202 | K194-N198 WeakPolarHBondContact O-CB 3.3Å; K194-N198 VanDerWaalsContact O-CG 3.22Å; K194-N198 PolarHBondContact O-N 3.37Å; C195-N198 PolarHBondContact O-N 2.97Å; S196-N198 PolarHBondContact O-N 2.91Å; N198-T200 VanDerWaalsContact C-N 3.31Å; N198-T200 PolarHBondContact O-N 3.4Å; N198-L201 PolarHBondContact O-N 3.16Å; N198-E202 WeakPolarHBondContact O-CG 3.33Å; N198-E202 PolarHBondContact O-N 3.42Å |
| 199 | Q | 97 | Very high | 97.5 | Very high | 130 Ų | 130 | 98.8 Ų | 98.8 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.2 | -42.2 | 175.8 | -73.5 | 174.4 | -17.6 | 0 | 0 | 111.8 | C195 S196 L201 E202 A203 | C195-Q199 WeakPolarHBondContact O-CG 3.49Å; C195-Q199 PolarHBondContact O-N 2.99Å; S196-Q199 PolarHBondContact O-N 2.63Å; Q199-L201 VanDerWaalsContact C-N 3.33Å; Q199-L201 PolarHBondContact O-N 2.89Å; Q199-E202 PolarHBondContact O-N 2.94Å; Q199-A203 PolarHBondContact O-N 3.41Å |
| 200 | T | 97.8 | Very high | 97.4 | Very high | 96 Ų | 96 | 102.1 Ų | 102.1 | 59% | 0.589 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.3 | -40.9 | 176.6 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | S196 Q197 N198 G204 | S196-T200 PolarHBondContact O-N 3.23Å; S196-T200 PolarHBondContact O-OG1 3.43Å; Q197-T200 PolarHBondContact O-N 3.37Å; N198-T200 VanDerWaalsContact C-N 3.31Å; N198-T200 PolarHBondContact O-N 3.4Å; T200-G204 PolarHBondContact O-N 2.79Å |
| 201 | L | 97.6 | Very high | 97.3 | Very high | 94 Ų | 94 | 99 Ų | 99 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 176.8 | -179.9 | 63 | 0 | 0 | 0 | 112.1 | Q197 N198 Q199 G204 K205 | Q197-L201 WeakPolarHBondContact O-CB 3.33Å; Q197-L201 PolarHBondContact O-N 2.93Å; N198-L201 PolarHBondContact O-N 3.16Å; Q199-L201 VanDerWaalsContact C-N 3.33Å; Q199-L201 PolarHBondContact O-N 2.89Å; L201-G204 PolarHBondContact O-N 2.91Å; L201-K205 WeakPolarHBondContact O-CG 3.41Å; L201-K205 PolarHBondContact O-N 3.15Å |
| 202 | E | 97.8 | Very high | 97.1 | Very high | 92 Ų | 92 | 96.3 Ų | 96.3 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 177.3 | -67.7 | -51.1 | 124.5 | 0 | 0 | 111.8 | N198 Q199 G204 K205 E206 | N198-E202 WeakPolarHBondContact O-CG 3.33Å; N198-E202 PolarHBondContact O-N 3.42Å; Q199-E202 PolarHBondContact O-N 2.94Å; E202-G204 VanDerWaalsContact C-N 3.27Å; E202-G204 PolarHBondContact O-N 3.28Å; E202-K205 WeakPolarHBondContact O-CB 3.17Å; E202-K205 PolarHBondContact O-N 3.47Å; E202-K205 VanDerWaalsContact O-N 3.12Å; E202-K205 IonicContact OE1-NZ 3.92Å; E202-K205 PolarHBondContact OE1-NZ 2.92Å; E202-K205 IonicContact OE2-NZ 2.86Å; E202-E206 PolarHBondContact O-N 3.36Å |
| 203 | A | 97.5 | Very high | 97 | Very high | 56 Ų | 56 | 94.1 Ų | 94.1 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -38.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q199 M207 | Q199-A203 PolarHBondContact O-N 3.41Å; A203-M207 PolarHBondContact O-N 2.94Å; A203-M207 VanDerWaalsContact O-N 3.11Å |
| 204 | G | 97.4 | Very high | 96.7 | Very high | 39 Ų | 39 | 94.8 Ų | 94.8 | 40% | 0.402 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | T200 L201 E202 M207 H208 | T200-G204 PolarHBondContact O-N 2.79Å; L201-G204 PolarHBondContact O-N 2.91Å; E202-G204 VanDerWaalsContact C-N 3.27Å; E202-G204 PolarHBondContact O-N 3.28Å; G204-M207 PolarHBondContact O-N 3.04Å; G204-H208 PolarHBondContact O-N 3.35Å |
| 205 | K | 97.7 | Very high | 96.4 | Very high | 101 Ų | 101 | 93.6 Ų | 93.6 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 175.9 | -71.8 | 174.5 | -176.6 | 169.3 | 0 | 111.9 | L201 E202 M207 H208 E209 | L201-K205 WeakPolarHBondContact O-CG 3.41Å; L201-K205 PolarHBondContact O-N 3.15Å; E202-K205 WeakPolarHBondContact O-CB 3.17Å; E202-K205 PolarHBondContact O-N 3.47Å; E202-K205 VanDerWaalsContact O-N 3.12Å; E202-K205 IonicContact OE1-NZ 3.92Å; E202-K205 PolarHBondContact OE1-NZ 2.92Å; E202-K205 IonicContact OE2-NZ 2.86Å; K205-M207 VanDerWaalsContact C-N 3.29Å; K205-M207 PolarHBondContact O-N 2.96Å; K205-H208 WeakPolarHBondContact O-CB 3.43Å; K205-H208 PolarHBondContact O-N 2.91Å; K205-H208 VanDerWaalsContact O-N 3.17Å; K205-E209 WeakPolarHBondContact O-CB 3.28Å; K205-E209 PolarHBondContact O-N 2.71Å |
| 206 | E | 97.4 | Very high | 96 | Very high | 105 Ų | 105 | 96.4 Ų | 96.4 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -39.6 | 177.6 | -73.7 | -175.6 | -163.2 | 0 | 0 | 112.1 | E202 K210 | E202-E206 PolarHBondContact O-N 3.36Å; E206-K210 WeakPolarHBondContact O-CB 3.33Å; E206-K210 VanDerWaalsContact O-CG 3.26Å; E206-K210 WeakPolarHBondContact O-CG 3.29Å; E206-K210 PolarHBondContact O-N 3.08Å; E206-K210 IonicContact OE2-NZ 3.65Å |
| 207 | M | 96.9 | Very high | 95.6 | Very high | 132 Ų | 132 | 98 Ų | 98 | 65% | 0.65 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.1 | -41.6 | 176.7 | -172.6 | -173.6 | -60.1 | 0 | 0 | 111.6 | A203 G204 K205 S211 | A203-M207 PolarHBondContact O-N 2.94Å; A203-M207 VanDerWaalsContact O-N 3.11Å; G204-M207 PolarHBondContact O-N 3.04Å; K205-M207 VanDerWaalsContact C-N 3.29Å; K205-M207 PolarHBondContact O-N 2.96Å; M207-S211 WeakPolarHBondContact O-CB 3.48Å; M207-S211 PolarHBondContact O-N 2.74Å; M207-S211 PolarHBondContact O-OG 3.17Å |
| 208 | H | 97 | Very high | 95 | Very high | 112 Ų | 112 | 96.9 Ų | 96.9 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 176.3 | 175.5 | -88.6 | 0 | 0 | 0 | 111.7 | G204 K205 S211 M212 | G204-H208 PolarHBondContact O-N 3.35Å; K205-H208 WeakPolarHBondContact O-CB 3.43Å; K205-H208 PolarHBondContact O-N 2.91Å; K205-H208 VanDerWaalsContact O-N 3.17Å; H208-S211 WeakPolarHBondContact O-CB 3.4Å; H208-S211 PolarHBondContact O-N 2.92Å; H208-S211 VanDerWaalsContact O-N 3.17Å; H208-M212 WeakPolarHBondContact NE2-CE 3.41Å; H208-M212 WeakPolarHBondContact O-CG 3.22Å; H208-M212 PolarHBondContact O-N 3.33Å |
| 209 | E | 96.3 | Very high | 94 | Very high | 124 Ų | 124 | 95.9 Ų | 95.9 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.8 | -49.9 | 177.3 | -173.7 | 171.8 | -162.1 | 0 | 0 | 111.4 | K205 S211 M212 D213 | K205-E209 WeakPolarHBondContact O-CB 3.28Å; K205-E209 PolarHBondContact O-N 2.71Å; E209-S211 VanDerWaalsContact C-N 3.25Å; E209-S211 PolarHBondContact O-N 3.43Å; E209-M212 PolarHBondContact O-N 2.93Å; E209-M212 VanDerWaalsContact O-N 3.11Å; E209-D213 PolarHBondContact O-N 3.41Å |
| 210 | K | 95.5 | Very high | 92.9 | Very high | 128 Ų | 128 | 94.8 Ų | 94.8 | 56% | 0.557 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57 | -38.2 | 174.7 | -72.6 | 168 | -173.9 | 161.2 | 0 | 112.5 | E206 V214 | E206-K210 WeakPolarHBondContact O-CB 3.33Å; E206-K210 VanDerWaalsContact O-CG 3.26Å; E206-K210 WeakPolarHBondContact O-CG 3.29Å; E206-K210 PolarHBondContact O-N 3.08Å; E206-K210 IonicContact OE2-NZ 3.65Å; K210-V214 WeakPolarHBondContact O-CG2 3.2Å; K210-V214 PolarHBondContact O-N 3.05Å; K210-V214 VanDerWaalsContact O-N 3.16Å |
| 211 | S | 95.7 | Very high | 91.1 | Very high | 61 Ų | 61 | 98.7 Ų | 98.7 | 43% | 0.427 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.8 | -41.1 | 178.4 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | M207 H208 E209 V214 L215 | M207-S211 WeakPolarHBondContact O-CB 3.48Å; M207-S211 PolarHBondContact O-N 2.74Å; M207-S211 PolarHBondContact O-OG 3.17Å; H208-S211 WeakPolarHBondContact O-CB 3.4Å; H208-S211 PolarHBondContact O-N 2.92Å; H208-S211 VanDerWaalsContact O-N 3.17Å; E209-S211 VanDerWaalsContact C-N 3.25Å; E209-S211 PolarHBondContact O-N 3.43Å; S211-V214 PolarHBondContact O-N 3.17Å; S211-L215 WeakPolarHBondContact O-CG 3.48Å; S211-L215 PolarHBondContact O-N 2.95Å; S211-L215 VanDerWaalsContact O-N 3.08Å |
| 212 | M | 94 | Very high | 88.9 | Confident | 76 Ų | 76 | 104 Ų | 104 | 37% | 0.374 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.6 | -41.6 | 176.1 | -71.7 | -62.2 | 171 | 0 | 0 | 111.7 | H208 E209 V214 L215 M216 | H208-M212 WeakPolarHBondContact NE2-CE 3.41Å; H208-M212 WeakPolarHBondContact O-CG 3.22Å; H208-M212 PolarHBondContact O-N 3.33Å; E209-M212 PolarHBondContact O-N 2.93Å; E209-M212 VanDerWaalsContact O-N 3.11Å; M212-V214 VanDerWaalsContact C-N 3.34Å; M212-V214 PolarHBondContact O-N 3.24Å; M212-L215 PolarHBondContact O-N 3.08Å; M212-L215 VanDerWaalsContact O-N 3.17Å; M212-L215 HydrophobicContact SD-CD1 4.31Å; M212-M216 WeakPolarHBondContact O-CG 3.47Å; M212-M216 PolarHBondContact O-N 3.26Å |
| 213 | D | 94 | Very high | 88.5 | Confident | 83 Ų | 83 | 104.6 Ų | 104.6 | 44% | 0.444 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.7 | -43.3 | 174.9 | -77.1 | -13.9 | 0 | 0 | 0 | 112.1 | E209 L215 M216 N217 | E209-D213 PolarHBondContact O-N 3.41Å; D213-L215 VanDerWaalsContact C-N 3.33Å; D213-L215 PolarHBondContact O-N 3.03Å; D213-M216 PolarHBondContact O-N 3.19Å; D213-N217 VanDerWaalsContact O-CB 3.32Å; D213-N217 WeakPolarHBondContact O-CB 3.4Å; D213-N217 PolarHBondContact O-N 3.17Å; D213-N217 PolarHBondContact O-ND2 3.37Å |
| 214 | V | 93.4 | Very high | 88 | Confident | 88 Ų | 88 | 107.2 Ų | 107.2 | 53% | 0.533 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.7 | -43.5 | 175.6 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | K210 S211 M212 L218 | K210-V214 WeakPolarHBondContact O-CG2 3.2Å; K210-V214 PolarHBondContact O-N 3.05Å; K210-V214 VanDerWaalsContact O-N 3.16Å; S211-V214 PolarHBondContact O-N 3.17Å; M212-V214 VanDerWaalsContact C-N 3.34Å; M212-V214 PolarHBondContact O-N 3.24Å; V214-L218 HydrophobicContact CG1-CD1 4.21Å; V214-L218 WeakPolarHBondContact O-CG 3.25Å; V214-L218 PolarHBondContact O-N 3.26Å; V214-L218 VanDerWaalsContact O-N 3.16Å |
| 215 | L | 91.1 | Very high | 87.5 | Confident | 109 Ų | 109 | 110.9 Ų | 110.9 | 57% | 0.571 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.9 | -42.9 | 177.8 | -70.4 | 172.5 | 0 | 0 | 0 | 112.5 | S211 M212 D213 L218 G219 | S211-L215 WeakPolarHBondContact O-CG 3.48Å; S211-L215 PolarHBondContact O-N 2.95Å; S211-L215 VanDerWaalsContact O-N 3.08Å; M212-L215 PolarHBondContact O-N 3.08Å; M212-L215 VanDerWaalsContact O-N 3.17Å; M212-L215 HydrophobicContact SD-CD1 4.31Å; D213-L215 VanDerWaalsContact C-N 3.33Å; D213-L215 PolarHBondContact O-N 3.03Å; L215-L218 PolarHBondContact O-N 3.26Å; L215-G219 PolarHBondContact O-N 3.11Å; L215-G219 VanDerWaalsContact O-N 3.17Å |
| 216 | M | 90.2 | Very high | 86.9 | Confident | 124 Ų | 124 | 111.5 Ų | 111.5 | 61% | 0.611 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.3 | -38.9 | 177.9 | -69.8 | -173 | -168.7 | 0 | 0 | 112.2 | M212 D213 L218 G219 T220 | M212-M216 WeakPolarHBondContact O-CG 3.47Å; M212-M216 PolarHBondContact O-N 3.26Å; D213-M216 PolarHBondContact O-N 3.19Å; M216-L218 VanDerWaalsContact C-N 3.29Å; M216-L218 PolarHBondContact O-N 3.39Å; M216-G219 PolarHBondContact O-N 3.18Å; M216-T220 PolarHBondContact O-N 3.27Å; M216-T220 PolarHBondContact O-OG1 3.23Å |
| 217 | N | 88.2 | Confident | 86.2 | Confident | 99 Ų | 99 | 111.9 Ų | 111.9 | 53% | 0.529 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -70.4 | -23 | 176.8 | -72.2 | -42.4 | 0 | 0 | 0 | 113.5 | D213 T220 | D213-N217 VanDerWaalsContact O-CB 3.32Å; D213-N217 WeakPolarHBondContact O-CB 3.4Å; D213-N217 PolarHBondContact O-N 3.17Å; D213-N217 PolarHBondContact O-ND2 3.37Å; N217-T220 PolarHBondContact O-OG1 2.76Å |
| 218 | L | 83.4 | Confident | 85.5 | Confident | 109 Ų | 109 | 110.6 Ų | 110.6 | 57% | 0.571 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -76.9 | -36.4 | 171.3 | -73.9 | 166.2 | 0 | 0 | 0 | 111.7 | V214 L215 M216 T220 | V214-L218 HydrophobicContact CG1-CD1 4.21Å; V214-L218 WeakPolarHBondContact O-CG 3.25Å; V214-L218 PolarHBondContact O-N 3.26Å; V214-L218 VanDerWaalsContact O-N 3.16Å; L215-L218 PolarHBondContact O-N 3.26Å; M216-L218 VanDerWaalsContact C-N 3.29Å; M216-L218 PolarHBondContact O-N 3.39Å; L218-T220 VanDerWaalsContact C-N 3.28Å; L218-T220 PolarHBondContact O-N 3.31Å |
| 219 | G | 77.9 | Confident | 84.7 | Confident | 56 Ų | 56 | 110.5 Ų | 110.5 | 58% | 0.577 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.6 | -21.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L215 M216 | L215-G219 PolarHBondContact O-N 3.11Å; L215-G219 VanDerWaalsContact O-N 3.17Å; M216-G219 PolarHBondContact O-N 3.18Å |
| 220 | T | 73.4 | Confident | 83.8 | Confident | 106 Ų | 106 | 109.5 Ų | 109.5 | 65% | 0.65 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -7 | -178.8 | 44.3 | 0 | 0 | 0 | 0 | 114.6 | M216 N217 L218 | M216-T220 PolarHBondContact O-N 3.27Å; M216-T220 PolarHBondContact O-OG1 3.23Å; N217-T220 PolarHBondContact O-OG1 2.76Å; L218-T220 VanDerWaalsContact C-N 3.28Å; L218-T220 PolarHBondContact O-N 3.31Å |
| 221 | K | 61.3 | Low | 82.8 | Confident | 179 Ų | 179 | 107.9 Ų | 107.9 | 78% | 0.778 | 60% | 0.597 | S | S | * | * | trans | -91.6 | 4 | 177.7 | -76.6 | -175.7 | 178.7 | 179.3 | 0 | 114.2 | ||||
| 222 | N | 51.6 | Low | 81.7 | Confident | 205 Ų | 205 | 112.2 Ų | 112.2 | 100% | 1.096 | 61% | 0.612 | S | S | * | * | trans | -106.3 | 0 | 170.6 | -70.1 | -25.2 | 0 | 0 | 0 | 109.9 |
Retrieved 222 of 222 residues in 158.2 ms
(Link to these results)