| 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 | 41.6 | Very low | 55.8 | Low | 242 Ų | 242 | 163.5 Ų | 163.5 | 100% | 1.192 | 77% | 0.772 | S | S | * | * | 0 | 114.3 | 0 | -78.8 | -176.3 | -106.7 | 0 | 0 | 108.3 | |||||
| 2 | R | 42.7 | Very low | 57 | Low | 247 Ų | 247 | 154.8 Ų | 154.8 | 93% | 0.932 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 118 | 172.2 | -80.6 | -178.9 | 172.6 | 168.9 | -2.7 | 107.8 | M4 | R2-M4 PolarHBondContact O-N 3.34Š|
| 3 | R | 41.5 | Very low | 58.2 | Low | 246 Ų | 246 | 150.6 Ų | 150.6 | 93% | 0.928 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 116 | 169.6 | -69.2 | -172 | -175.8 | -166.8 | 1.9 | 107.1 | A5 | R3-A5 PolarHBondContact O-N 3.18Š|
| 4 | M | 41.7 | Very low | 59.1 | Low | 178 Ų | 178 | 147.8 Ų | 147.8 | 88% | 0.877 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 117.6 | 169.2 | -63.8 | -89.5 | -96.1 | 0 | 0 | 106.4 | R2 L6 | R2-M4 PolarHBondContact O-N 3.34Å; M4-L6 PolarHBondContact O-N 3.49Å |
| 5 | A | 58 | Low | 60.4 | Low | 90 Ų | 90 | 150.4 Ų | 150.4 | 74% | 0.744 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 129.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | R3 K7 | R3-A5 PolarHBondContact O-N 3.18Å; A5-K7 PolarHBondContact O-N 3.49Å |
| 6 | L | 48.9 | Very low | 61.2 | Low | 172 Ų | 172 | 143.9 Ų | 143.9 | 90% | 0.901 | 71% | 0.705 | S | S | * | * | trans | -71 | 106.5 | 171.2 | -80.3 | 128.6 | 0 | 0 | 0 | 107.9 | M4 K8 | M4-L6 PolarHBondContact O-N 3.49Å; L6-K8 PolarHBondContact O-N 3.17Å | ||
| 7 | K | 60.6 | Low | 61.9 | Low | 168 Ų | 168 | 143.1 Ų | 143.1 | 73% | 0.73 | 69% | 0.694 | S | S | * | * | trans | -63.4 | 132.2 | 173.3 | -63.5 | -170.8 | 175.5 | -159.8 | 0 | 109.4 | A5 L9 | A5-K7 PolarHBondContact O-N 3.49Å; K7-L9 PolarHBondContact O-N 3.35Å | ||
| 8 | K | 65.4 | Low | 62.6 | Low | 171 Ų | 171 | 140.8 Ų | 140.8 | 74% | 0.743 | 69% | 0.685 | S | S | * | * | trans | -80.4 | 113 | 172.9 | -70.6 | 178.5 | -176.9 | 168.7 | 0 | 108.6 | L6 | L6-K8 PolarHBondContact O-N 3.17Š| ||
| 9 | L | 68.2 | Low | 63 | Low | 90 Ų | 90 | 137 Ų | 137 | 47% | 0.471 | 67% | 0.667 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.2 | 129.4 | 175.9 | -167.5 | 74.5 | 0 | 0 | 0 | 109 | K7 V11 L20 D22 | K7-L9 PolarHBondContact O-N 3.35Å; L9-V11 HydrophobicContact CD2-CG2 4.46Å; L9-L20 HydrophobicContact CD1-CB 4.29Å; L9-L20 HydrophobicContact CD1-CD2 4.14Å; L9-L20 HydrophobicContact CD1-CG 4.06Å; L9-L20 HydrophobicContact CD2-CD2 3.69Å; L9-L20 HydrophobicContact CD2-CG 3.83Å; L9-L20 HydrophobicContact CG-CD2 4.36Å; L9-L20 HydrophobicContact CG-CG 4.11Å; L9-D22 WeakPolarHBondContact CD1-OD1 3.36Å |
| 10 | K | 73.8 | Confident | 63.3 | Low | 125 Ų | 125 | 135.3 Ų | 135.3 | 54% | 0.543 | 66% | 0.661 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.4 | 130.3 | 170.5 | -169.4 | 162.1 | -179.9 | 163 | 0 | 109.8 | L21 F23 | K10-L21 PolarHBondContact N-O 3.46Å; K10-L21 PolarHBondContact O-N 2.99Å; K10-L21 VanDerWaalsContact O-N 3.13Å; K10-F23 HydrophobicContact CB-CE2 4.19Å |
| 11 | V | 71.6 | Confident | 63.4 | Low | 70 Ų | 70 | 132.6 Ų | 132.6 | 42% | 0.424 | 65% | 0.649 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.2 | 121.6 | 179.1 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | L9 L18 L20 | L9-V11 HydrophobicContact CD2-CG2 4.46Å; V11-L18 HydrophobicContact CG1-CB 4.05Å; V11-L18 HydrophobicContact CG1-CD1 3.99Å; V11-L18 HydrophobicContact CG1-CD2 4.19Å; V11-L18 HydrophobicContact CG1-CG 4.3Å; V11-L20 HydrophobicContact CG1-CD1 4.38Å; V11-L20 HydrophobicContact CG2-CD1 4.05Å; V11-L20 HydrophobicContact CG2-CG 4.48Å |
| 12 | I | 70.4 | Confident | 64.6 | Low | 58 Ų | 58 | 126.5 Ų | 126.5 | 30% | 0.297 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.9 | 119 | 176.7 | -58.8 | 177.2 | 0 | 0 | 0 | 108.6 | L19 L21 | I12-L19 PolarHBondContact N-O 3.36Å; I12-L19 PolarHBondContact O-N 3.2Å; I12-L21 HydrophobicContact CD1-CD1 3.88Å |
| 13 | P | 72.8 | Confident | 65 | Low | 101 Ų | 101 | 121 Ų | 121 | 66% | 0.656 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66.4 | 135.4 | 170.8 | -17 | 29.9 | 0 | 0 | 0 | 111.8 | L18 | P13-L18 HydrophobicContact CB-CD2 4.17Å; P13-L18 HydrophobicContact CG-CD2 4.47Å |
| 14 | K | 70.8 | Confident | 65.7 | Low | 111 Ų | 111 | 115.2 Ų | 115.2 | 48% | 0.483 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.2 | 162.3 | 166.4 | -67 | -62.7 | -177.6 | -179.2 | 0 | 109.7 | G16 Y17 L19 | K14-G16 PolarHBondContact O-N 3.46Å; K14-Y17 HydrophobicContact CB-CD1 4.46Å; K14-Y17 HydrophobicContact CB-CD2 4.34Å; K14-Y17 HydrophobicContact CB-CE1 4.14Å; K14-Y17 HydrophobicContact CB-CE2 4.01Å; K14-Y17 HydrophobicContact CG-CE2 4.14Å; K14-Y17 PolarHBondContact N-O 3.19Å; K14-Y17 PolarHBondContact O-N 3.31Å; K14-Y17 VanDerWaalsContact O-O 3.09Å; K14-L19 HydrophobicContact CG-CD1 3.87Å |
| 15 | E | 77.7 | Confident | 66.4 | Low | 187 Ų | 187 | 113.9 Ų | 113.9 | 87% | 0.874 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.5 | 102.3 | 171.7 | -100.4 | 82.1 | -145.8 | 0 | 0 | 110.4 | ||
| 16 | G | 74.3 | Confident | 66 | Low | 47 Ų | 47 | 117.7 Ų | 117.7 | 49% | 0.485 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 93 | -14.1 | 173 | 0 | 0 | 0 | 0 | 0 | 116.9 | K14 R147 | K14-G16 PolarHBondContact O-N 3.46Å; G16-R147 PolarHBondContact O-NE 2.94Å; G16-R147 PolarHBondContact O-NH2 3.33Å |
| 17 | Y | 71.6 | Confident | 66 | Low | 130 Ų | 130 | 115.4 Ų | 115.4 | 51% | 0.51 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -149 | 160.1 | -179.3 | 60.4 | -83.2 | 0 | 0 | 0 | 112.4 | K14 L19 | K14-Y17 HydrophobicContact CB-CD1 4.46Å; K14-Y17 HydrophobicContact CB-CD2 4.34Å; K14-Y17 HydrophobicContact CB-CE1 4.14Å; K14-Y17 HydrophobicContact CB-CE2 4.01Å; K14-Y17 HydrophobicContact CG-CE2 4.14Å; K14-Y17 PolarHBondContact N-O 3.19Å; K14-Y17 PolarHBondContact O-N 3.31Å; K14-Y17 VanDerWaalsContact O-O 3.09Å; Y17-L19 HydrophobicContact CD2-CG 4.23Å; Y17-L19 HydrophobicContact CE2-CD1 3.83Å; Y17-L19 HydrophobicContact CE2-CG 3.83Å |
| 18 | L | 74.5 | Confident | 65.2 | Low | 102 Ų | 102 | 114.1 Ų | 114.1 | 53% | 0.534 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.8 | 125.7 | 172.9 | -61.2 | -179 | 0 | 0 | 0 | 109 | V11 P13 | V11-L18 HydrophobicContact CG1-CB 4.05Å; V11-L18 HydrophobicContact CG1-CD1 3.99Å; V11-L18 HydrophobicContact CG1-CD2 4.19Å; V11-L18 HydrophobicContact CG1-CG 4.3Å; P13-L18 HydrophobicContact CB-CD2 4.17Å; P13-L18 HydrophobicContact CG-CD2 4.47Å |
| 19 | L | 70.9 | Confident | 64.1 | Low | 68 Ų | 68 | 113.6 Ų | 113.6 | 36% | 0.356 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.7 | 118.4 | 168 | -87.1 | 151.4 | 0 | 0 | 0 | 108.5 | I12 K14 Y17 | I12-L19 PolarHBondContact N-O 3.36Å; I12-L19 PolarHBondContact O-N 3.2Å; K14-L19 HydrophobicContact CG-CD1 3.87Å; Y17-L19 HydrophobicContact CD2-CG 4.23Å; Y17-L19 HydrophobicContact CE2-CD1 3.83Å; Y17-L19 HydrophobicContact CE2-CG 3.83Å |
| 20 | L | 69 | Low | 62.7 | Low | 103 Ų | 103 | 115.7 Ų | 115.7 | 54% | 0.539 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.2 | 119.7 | 164.6 | -96.6 | 63.4 | 0 | 0 | 0 | 107.8 | L9 V11 | L9-L20 HydrophobicContact CD1-CB 4.29Å; L9-L20 HydrophobicContact CD1-CD2 4.14Å; L9-L20 HydrophobicContact CD1-CG 4.06Å; L9-L20 HydrophobicContact CD2-CD2 3.69Å; L9-L20 HydrophobicContact CD2-CG 3.83Å; L9-L20 HydrophobicContact CG-CD2 4.36Å; L9-L20 HydrophobicContact CG-CG 4.11Å; V11-L20 HydrophobicContact CG1-CD1 4.38Å; V11-L20 HydrophobicContact CG2-CD1 4.05Å; V11-L20 HydrophobicContact CG2-CG 4.48Å |
| 21 | L | 66.3 | Low | 60.9 | Low | 79 Ų | 79 | 119.2 Ų | 119.2 | 41% | 0.414 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.2 | 116.6 | 170.2 | -64.8 | 173 | 0 | 0 | 0 | 107.9 | K10 I12 | K10-L21 PolarHBondContact N-O 3.46Å; K10-L21 PolarHBondContact O-N 2.99Å; K10-L21 VanDerWaalsContact O-N 3.13Å; I12-L21 HydrophobicContact CD1-CD1 3.88Å |
| 22 | D | 65 | Low | 59.2 | Low | 114 Ų | 114 | 121.8 Ų | 121.8 | 61% | 0.61 | 63% | 0.627 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.9 | 116.1 | 166.6 | -68.4 | -23.8 | 0 | 0 | 0 | 106.9 | L9 D24 | L9-D22 WeakPolarHBondContact CD1-OD1 3.36Å; D22-D24 VanDerWaalsContact C-N 3.34Å; D22-D24 PolarHBondContact O-N 3.37Å |
| 23 | F | 52 | Low | 57.7 | Low | 130 Ų | 130 | 123.7 Ų | 123.7 | 57% | 0.57 | 65% | 0.646 | S | S | * | * | trans | -79 | 98.2 | 156.5 | -69.8 | -85.2 | 0 | 0 | 0 | 104.9 | K10 D25 | K10-F23 HydrophobicContact CB-CE2 4.19Å; F23-D25 PolarHBondContact O-N 3.06Å | ||
| 24 | D | 56.8 | Low | 56 | Low | 126 Ų | 126 | 128.1 Ų | 128.1 | 67% | 0.674 | 66% | 0.658 | S | S | * | * | trans | -58.4 | 121 | 153.9 | -87.5 | -32 | 0 | 0 | 0 | 105 | D22 E26 | D22-D24 VanDerWaalsContact C-N 3.34Å; D22-D24 PolarHBondContact O-N 3.37Å; D24-E26 PolarHBondContact O-N 3.03Å | ||
| 25 | D | 56 | Low | 54.3 | Low | 149 Ų | 149 | 131.8 Ų | 131.8 | 80% | 0.797 | 68% | 0.677 | S | S | * | * | trans | -65.2 | 68 | 168.9 | -78.2 | -37.7 | 0 | 0 | 0 | 107.6 | F23 D27 | F23-D25 PolarHBondContact O-N 3.06Å; D25-D27 VanDerWaalsContact C-N 3.26Å; D25-D27 PolarHBondContact O-N 3.15Å | ||
| 26 | E | 49.2 | Very low | 52.3 | Low | 171 Ų | 171 | 127 Ų | 127 | 80% | 0.799 | 67% | 0.669 | S | S | * | * | trans | -78.8 | 90.5 | 148.5 | -73.9 | -149.8 | 169.6 | 0 | 0 | 105.3 | D24 | D24-E26 PolarHBondContact O-N 3.03Š| ||
| 27 | D | 48.8 | Very low | 50.4 | Low | 123 Ų | 123 | 133.3 Ų | 133.3 | 66% | 0.658 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 175.1 | 106.1 | 132.8 | -82.1 | -29.8 | 0 | 0 | 0 | 109.2 | D25 | D25-D27 VanDerWaalsContact C-N 3.26Å; D25-D27 PolarHBondContact O-N 3.15Å |
| 28 | D | 44.6 | Very low | 48.9 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 75% | 0.754 | 70% | 0.698 | S | S | * | * | 38.1 | 101.9 | 128 | -67.4 | -22.8 | 0 | 0 | 0 | 117 | I30 | D28-I30 WeakPolarHBondContact O-CG1 3.41Å; D28-I30 PolarHBondContact O-N 3.35Å | |||
| 29 | D | 41.4 | Very low | 47.1 | Very low | 161 Ų | 161 | 136 Ų | 136 | 86% | 0.861 | 72% | 0.716 | S | S | * | * | trans | 26.5 | 50.4 | 142.7 | -78 | -25.5 | 0 | 0 | 0 | 117.1 | K31 | D29-K31 VanDerWaalsContact C-N 3.29Å; D29-K31 PolarHBondContact O-N 3.46Å | ||
| 30 | I | 38.3 | Very low | 45.7 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | trans | -78.5 | 91.8 | 172.6 | -26.2 | 175 | 0 | 0 | 0 | 105.7 | D28 V32 | D28-I30 WeakPolarHBondContact O-CG1 3.41Å; D28-I30 PolarHBondContact O-N 3.35Å; I30-V32 HydrophobicContact CB-CG2 4.37Å; I30-V32 HydrophobicContact CG2-CG2 4.25Å; I30-V32 PolarHBondContact O-N 3.09Å | ||
| 31 | K | 36.7 | Very low | 44.5 | Very low | 198 Ų | 198 | 143 Ų | 143 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | trans | -61.7 | 81.1 | 169.6 | -67.5 | -160.7 | -180 | -172.1 | 0 | 109 | D29 S33 | D29-K31 VanDerWaalsContact C-N 3.29Å; D29-K31 PolarHBondContact O-N 3.46Å; K31-S33 PolarHBondContact O-N 3.25Å | ||
| 32 | V | 35.5 | Very low | 43.2 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 76% | 0.758 | 76% | 0.764 | S | S | * | * | trans | -75.9 | 105.9 | 173.7 | 177.6 | 0 | 0 | 0 | 0 | 107.3 | I30 | I30-V32 HydrophobicContact CB-CG2 4.37Å; I30-V32 HydrophobicContact CG2-CG2 4.25Å; I30-V32 PolarHBondContact O-N 3.09Å | ||
| 33 | S | 39.4 | Very low | 41.9 | Very low | 97 Ų | 97 | 144.4 Ų | 144.4 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | -60.1 | 138.9 | 167.9 | 41.2 | 0 | 0 | 0 | 0 | 110.7 | K31 E35 | K31-S33 PolarHBondContact O-N 3.25Å; S33-E35 PolarHBondContact O-N 3.45Å | ||
| 34 | E | 36.2 | Very low | 41.2 | Very low | 195 Ų | 195 | 142.2 Ų | 142.2 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -71 | 40.9 | -167.5 | -161.3 | -179.4 | 162.7 | 0 | 0 | 115 | ||
| 35 | E | 35.5 | Very low | 40.1 | Very low | 188 Ų | 188 | 145.8 Ų | 145.8 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -121.8 | 13.7 | -171.2 | -73.9 | -163.1 | 159.2 | 0 | 0 | 116.5 | S33 | S33-E35 PolarHBondContact O-N 3.45Š| ||
| 36 | A | 36.6 | Very low | 39.3 | Very low | 87 Ų | 87 | 145.1 Ų | 145.1 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | trans | -131.7 | 45.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S38 | A36-S38 PolarHBondContact O-N 2.92Å; A36-S38 VanDerWaalsContact O-N 3.08Å | ||
| 37 | L | 33.6 | Very low | 39 | Very low | 178 Ų | 178 | 147.1 Ų | 147.1 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -79.5 | 66 | 157.2 | -67.8 | 177.6 | 0 | 0 | 0 | 109 | ||||
| 38 | S | 40 | Very low | 38.4 | Very low | 97 Ų | 97 | 147 Ų | 147 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -89.3 | 129 | 165.4 | 72.7 | 0 | 0 | 0 | 0 | 109.1 | A36 V40 | A36-S38 PolarHBondContact O-N 2.92Å; A36-S38 VanDerWaalsContact O-N 3.08Å; S38-V40 PolarHBondContact O-N 3.21Å | ||
| 39 | E | 38.3 | Very low | 38.1 | Very low | 192 Ų | 192 | 147.5 Ų | 147.5 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | -65 | 84.6 | -166.3 | -161.4 | 168.9 | -157.2 | 0 | 0 | 111.2 | K41 | E39-K41 VanDerWaalsContact C-N 3.29Å; E39-K41 PolarHBondContact O-N 2.86Å | ||
| 40 | V | 39.6 | Very low | 37.9 | Very low | 129 Ų | 129 | 147.2 Ų | 147.2 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | trans | -75.1 | 90.9 | 170.7 | 177.3 | 0 | 0 | 0 | 0 | 108.2 | S38 S42 | S38-V40 PolarHBondContact O-N 3.21Å; V40-S42 PolarHBondContact O-N 2.96Å | ||
| 41 | K | 45.4 | Very low | 38.1 | Very low | 190 Ų | 190 | 146.9 Ų | 146.9 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -48.5 | 108.5 | 168.2 | -171 | 152.7 | -177.4 | 167.5 | 0 | 109.7 | E39 | E39-K41 VanDerWaalsContact C-N 3.29Å; E39-K41 PolarHBondContact O-N 2.86Å | ||
| 42 | S | 37.9 | Very low | 38.2 | Very low | 102 Ų | 102 | 141.7 Ų | 141.7 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 128.4 | 173.1 | -29.6 | 0 | 0 | 0 | 0 | 108.4 | V40 A44 | V40-S42 PolarHBondContact O-N 2.96Å; S42-A44 PolarHBondContact O-N 3.09Å |
| 43 | P | 38.5 | Very low | 38.6 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 127.6 | 171.8 | -17.6 | 29.5 | 0 | 0 | 0 | 108.5 | F45 | P43-F45 PolarHBondContact O-N 3.47Š|
| 44 | A | 36.7 | Very low | 38.4 | Very low | 85 Ų | 85 | 144.3 Ų | 144.3 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -56 | 123.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | S42 D46 | S42-A44 PolarHBondContact O-N 3.09Å; A44-D46 PolarHBondContact O-N 3.18Å |
| 45 | F | 34.7 | Very low | 38.4 | Very low | 200 Ų | 200 | 139.8 Ų | 139.8 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | -65.4 | 100.2 | 171 | -114.1 | -101.4 | 0 | 0 | 0 | 107.6 | P43 K47 | P43-F45 PolarHBondContact O-N 3.47Å; F45-K47 PolarHBondContact O-N 2.99Å | ||
| 46 | D | 39.1 | Very low | 38.5 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | -64.3 | 116 | 173.5 | -85.2 | -37 | 0 | 0 | 0 | 109.2 | A44 N48 | A44-D46 PolarHBondContact O-N 3.18Å; D46-N48 VanDerWaalsContact C-N 3.33Å; D46-N48 PolarHBondContact O-N 2.76Å; D46-N48 VanDerWaalsContact O-N 3.11Å | ||
| 47 | K | 43.1 | Very low | 38.7 | Very low | 214 Ų | 214 | 138 Ų | 138 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | trans | -79.3 | 80.2 | 173.7 | -63.2 | 178.8 | -178.8 | 179.1 | 0 | 109 | F45 | F45-K47 PolarHBondContact O-N 2.99Š| ||
| 48 | N | 35.6 | Very low | 39 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 64% | 0.642 | 76% | 0.756 | S | S | * | * | trans | -138.4 | 141.2 | 157.5 | 72.4 | 51 | 0 | 0 | 0 | 105.6 | D46 | D46-N48 VanDerWaalsContact C-N 3.33Å; D46-N48 PolarHBondContact O-N 2.76Å; D46-N48 VanDerWaalsContact O-N 3.11Å | ||
| 49 | E | 38.7 | Very low | 39 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 71% | 0.71 | 76% | 0.763 | S | S | * | * | cis | -133.2 | 132.1 | 25.3 | -69.3 | 168.9 | 132.1 | 0 | 0 | 109.6 | I51 | E49-I51 HydrophobicContact CB-CD1 4.37Å; E49-I51 HydrophobicContact CB-CG1 3.84Å; E49-I51 PolarHBondContact O-N 3.43Å | ||
| 50 | N | 37 | Very low | 39.1 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | trans | -74.4 | 80 | 163.3 | -175.6 | -1.9 | 0 | 0 | 0 | 108 | S52 | N50-S52 VanDerWaalsContact C-N 3.25Å; N50-S52 PolarHBondContact O-N 3.41Å; N50-S52 VanDerWaalsContact O-N 3.07Å | ||
| 51 | I | 41.4 | Very low | 39.7 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 65% | 0.651 | 75% | 0.747 | S | S | * | * | trans | -81 | 85.5 | 168.7 | -52.1 | 176.7 | 0 | 0 | 0 | 106.5 | E49 P53 | E49-I51 HydrophobicContact CB-CD1 4.37Å; E49-I51 HydrophobicContact CB-CG1 3.84Å; E49-I51 PolarHBondContact O-N 3.43Å; I51-P53 WeakPolarHBondContact O-CD 3.44Å | ||
| 52 | S | 39.9 | Very low | 39.2 | Very low | 89 Ų | 89 | 132.4 Ų | 132.4 | 62% | 0.622 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 120.6 | 166.5 | -169.3 | 0 | 0 | 0 | 0 | 108 | N50 Q54 | N50-S52 VanDerWaalsContact C-N 3.25Å; N50-S52 PolarHBondContact O-N 3.41Å; N50-S52 VanDerWaalsContact O-N 3.07Å; S52-Q54 PolarHBondContact O-N 2.99Å |
| 53 | P | 43 | Very low | 39.3 | Very low | 103 Ų | 103 | 134 Ų | 134 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 117.5 | 178.9 | -13.8 | 27.8 | 0 | 0 | 0 | 109 | I51 A55 | I51-P53 WeakPolarHBondContact O-CD 3.44Å; P53-A55 PolarHBondContact O-N 3.41Å |
| 54 | Q | 35.2 | Very low | 39.3 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 119.9 | 161.9 | -90.2 | -178.2 | -98.1 | 0 | 0 | 107.8 | S52 E56 | S52-Q54 PolarHBondContact O-N 2.99Å; Q54-E56 PolarHBondContact O-N 3.46Å; Q54-E56 VanDerWaalsContact O-N 3.13Å |
| 55 | A | 37 | Very low | 39.6 | Very low | 100 Ų | 100 | 139.5 Ų | 139.5 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | -73.5 | 94.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | P53 A57 | P53-A55 PolarHBondContact O-N 3.41Å; A55-A57 PolarHBondContact O-N 2.93Å | ||
| 56 | E | 37.9 | Very low | 39.7 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 71% | 0.71 | 75% | 0.751 | S | S | * | * | trans | -85 | 102.1 | 165.5 | -68.8 | -177.1 | -180 | 0 | 0 | 107.4 | Q54 D58 | Q54-E56 PolarHBondContact O-N 3.46Å; Q54-E56 VanDerWaalsContact O-N 3.13Å; E56-D58 VanDerWaalsContact C-N 3.35Å; E56-D58 PolarHBondContact O-N 2.98Å | ||
| 57 | A | 40 | Very low | 40.2 | Very low | 86 Ų | 86 | 135.2 Ų | 135.2 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | -79.1 | 84.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | A55 E59 | A55-A57 PolarHBondContact O-N 2.93Å; A57-E59 PolarHBondContact O-N 2.88Å | ||
| 58 | D | 40.6 | Very low | 39.7 | Very low | 148 Ų | 148 | 133 Ų | 133 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | -91.1 | 95.5 | 168.7 | -72.4 | -16.9 | 0 | 0 | 0 | 108.5 | E56 | E56-D58 VanDerWaalsContact C-N 3.35Å; E56-D58 PolarHBondContact O-N 2.98Å | ||
| 59 | E | 38.4 | Very low | 40.1 | Very low | 176 Ų | 176 | 134.7 Ų | 134.7 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | -64.5 | 148 | 161.6 | -58 | -175.6 | 161.8 | 0 | 0 | 110 | A57 | A57-E59 PolarHBondContact O-N 2.88Š| ||
| 60 | D | 42.2 | Very low | 39.9 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 68% | 0.684 | 76% | 0.762 | S | S | * | * | trans | 99.8 | 143.2 | 132.5 | -149.9 | 22.6 | 0 | 0 | 0 | 121.7 | ||||
| 61 | M | 50.4 | Low | 40.5 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 67% | 0.665 | 76% | 0.761 | S | S | * | * | trans | 70.9 | 92.7 | 167 | -57.7 | -49.3 | -166.1 | 0 | 0 | 119.8 | ||||
| 62 | G | 35.2 | Very low | 40.5 | Very low | 80 Ų | 80 | 133.9 Ų | 133.9 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | -79.1 | 117.9 | 147.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 63 | D | 40.6 | Very low | 40.5 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -122.5 | 103.5 | 164.2 | -81.9 | -33 | 0 | 0 | 0 | 108.1 | ||||
| 64 | E | 38.9 | Very low | 40.3 | Very low | 192 Ų | 192 | 138.6 Ų | 138.6 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | trans | -86.7 | 103 | 171.1 | -175.1 | 173.2 | -162.8 | 0 | 0 | 107.3 | ||||
| 65 | V | 43.8 | Very low | 40.4 | Very low | 128 Ų | 128 | 137 Ų | 137 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -106.9 | 97.9 | 173.7 | -74.3 | 0 | 0 | 0 | 0 | 109.6 | S67 | V65-S67 PolarHBondContact O-N 3.44Š| ||
| 66 | D | 36.6 | Very low | 40.4 | Very low | 141 Ų | 141 | 139.3 Ų | 139.3 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | -79.8 | 83.7 | 172.2 | -170.3 | 22.7 | 0 | 0 | 0 | 109.4 | M68 | D66-M68 PolarHBondContact O-N 3.38Š| ||
| 67 | S | 48.1 | Very low | 40.5 | Very low | 104 Ų | 104 | 137.3 Ų | 137.3 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -88.9 | 76 | 174 | 62.7 | 0 | 0 | 0 | 0 | 110.4 | V65 L69 | V65-S67 PolarHBondContact O-N 3.44Å; S67-L69 PolarHBondContact O-N 3.04Å | ||
| 68 | M | 33.3 | Very low | 40.3 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 82% | 0.823 | 78% | 0.777 | S | S | * | * | trans | -80.3 | 93.9 | 167 | -168.6 | 154.9 | 82.2 | 0 | 0 | 108.7 | D66 | D66-M68 PolarHBondContact O-N 3.38Š| ||
| 69 | L | 43.9 | Very low | 40.3 | Very low | 156 Ų | 156 | 138.6 Ų | 138.6 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | trans | -95.1 | 121.4 | 175 | -75.7 | 176.9 | 0 | 0 | 0 | 111.4 | S67 | S67-L69 PolarHBondContact O-N 3.04Š| ||
| 70 | D | 34.9 | Very low | 40.1 | Very low | 161 Ų | 161 | 133.3 Ų | 133.3 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | trans | -48.4 | 118.2 | 178.8 | -158.9 | 7.8 | 0 | 0 | 0 | 113 | ||||
| 71 | I | 49.4 | Very low | 39.8 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -96.8 | 100.3 | 175.7 | -40.6 | 174.2 | 0 | 0 | 0 | 106.5 | E73 | I71-E73 PolarHBondContact O-N 3.32Š| ||
| 72 | S | 41 | Very low | 39.3 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | -49.4 | 119.6 | 178.5 | 54.9 | 0 | 0 | 0 | 0 | 112 | V74 | S72-V74 PolarHBondContact O-N 3.18Å; S72-V74 VanDerWaalsContact O-N 3.13Å | ||
| 73 | E | 41.1 | Very low | 39.6 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -55.2 | 103.9 | 172.8 | -161.8 | 168.9 | -161.9 | 0 | 0 | 110.4 | I71 N75 | I71-E73 PolarHBondContact O-N 3.32Å; E73-N75 PolarHBondContact O-N 2.99Å; E73-N75 VanDerWaalsContact O-N 3.16Å | ||
| 74 | V | 37.5 | Very low | 39.4 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | trans | -75.1 | 103.2 | 173.7 | 170.8 | 0 | 0 | 0 | 0 | 108.2 | S72 N76 | S72-V74 PolarHBondContact O-N 3.18Å; S72-V74 VanDerWaalsContact O-N 3.13Å; V74-N76 PolarHBondContact O-N 3.38Å | ||
| 75 | N | 37.9 | Very low | 39.7 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -61 | 114.5 | 171.7 | -75.2 | -54.9 | 0 | 0 | 0 | 110.8 | E73 | E73-N75 PolarHBondContact O-N 2.99Å; E73-N75 VanDerWaalsContact O-N 3.16Å | ||
| 76 | N | 36.1 | Very low | 39.5 | Very low | 150 Ų | 150 | 139.6 Ų | 139.6 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -85 | 117.8 | 168.1 | -73.1 | -44.3 | 0 | 0 | 0 | 109.6 | V74 A78 | V74-N76 PolarHBondContact O-N 3.38Å; N76-A78 PolarHBondContact O-N 3.32Å | ||
| 77 | P | 41 | Very low | 40 | Very low | 109 Ų | 109 | 138 Ų | 138 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | trans | -79.2 | 115.6 | 173.1 | 0.8 | 16.6 | 0 | 0 | 0 | 109.4 | I79 | P77-I79 HydrophobicContact CB-CG1 4.48Å; P77-I79 PolarHBondContact O-N 3.05Å; P77-I79 VanDerWaalsContact O-N 3.15Å | ||
| 78 | A | 35.8 | Very low | 39.6 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 88% | 0.876 | 79% | 0.787 | S | S | * | * | trans | -73.1 | 95.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | N76 | N76-A78 PolarHBondContact O-N 3.32Š| ||
| 79 | I | 39.9 | Very low | 40.1 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 80% | 0.795 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 124.8 | 172.8 | -75.1 | 172.2 | 0 | 0 | 0 | 109.5 | P77 | P77-I79 HydrophobicContact CB-CG1 4.48Å; P77-I79 PolarHBondContact O-N 3.05Å; P77-I79 VanDerWaalsContact O-N 3.15Å |
| 80 | G | 34.5 | Very low | 40 | Very low | 66 Ų | 66 | 142.3 Ų | 142.3 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 157.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 81 | K | 36 | Very low | 40.6 | Very low | 211 Ų | 211 | 137.3 Ų | 137.3 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 126.2 | 173.4 | -58 | 166.6 | 179.7 | 177.3 | 0 | 109.7 | ||
| 82 | D | 39.6 | Very low | 40.9 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -152.1 | 126.9 | 146.2 | -116.2 | -11.7 | 0 | 0 | 0 | 112.4 | ||||
| 83 | E | 41.3 | Very low | 41.9 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | 53.5 | 111.3 | 146 | -66 | -179.7 | 169.8 | 0 | 0 | 121.9 | I85 | E83-I85 PolarHBondContact O-N 3.39Å; E83-I85 VanDerWaalsContact O-N 3.16Å | ||
| 84 | N | 35.9 | Very low | 43.2 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | -66.9 | 92.4 | 171 | -172.2 | -25.1 | 0 | 0 | 0 | 110.7 | ||||
| 85 | I | 45.3 | Very low | 44.8 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | -97.1 | 120.8 | 160.1 | -54.2 | 178.2 | 0 | 0 | 0 | 105.5 | E83 P87 | E83-I85 PolarHBondContact O-N 3.39Å; E83-I85 VanDerWaalsContact O-N 3.16Å; I85-P87 HydrophobicContact CG2-CG 4.12Å; I85-P87 VanDerWaalsContact O-CD 3.28Å; I85-P87 WeakPolarHBondContact O-CD 3.4Å | ||
| 86 | S | 40.5 | Very low | 46.7 | Very low | 107 Ų | 107 | 133 Ų | 133 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | -104.4 | 97.6 | 175.7 | 176.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 87 | P | 46.2 | Very low | 48.7 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | -94.7 | 140.4 | 173.3 | -3.5 | 25.4 | 0 | 0 | 0 | 111.2 | I85 | I85-P87 HydrophobicContact CG2-CG 4.12Å; I85-P87 VanDerWaalsContact O-CD 3.28Å; I85-P87 WeakPolarHBondContact O-CD 3.4Å | ||
| 88 | Q | 40.7 | Very low | 50.7 | Low | 191 Ų | 191 | 132.5 Ų | 132.5 | 89% | 0.893 | 73% | 0.73 | S | S | * | * | trans | -53 | 134.1 | -172.7 | -67.8 | 165.6 | 11.5 | 0 | 0 | 115.5 | K90 | Q88-K90 PolarHBondContact O-N 2.95Š| ||
| 89 | V | 43 | Very low | 53 | Low | 123 Ų | 123 | 131.2 Ų | 131.2 | 75% | 0.745 | 71% | 0.712 | S | S | * | * | trans | -47.2 | 106.8 | 168.3 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 90 | K | 42.7 | Very low | 55.2 | Low | 203 Ų | 203 | 125.6 Ų | 125.6 | 88% | 0.883 | 69% | 0.692 | S | S | * | * | trans | -156.6 | 94.3 | 165.5 | -150.2 | 165.1 | -173.1 | 175.5 | 0 | 111 | Q88 | Q88-K90 PolarHBondContact O-N 2.95Š| ||
| 91 | G | 47.5 | Very low | 57.6 | Low | 56 Ų | 56 | 124.3 Ų | 124.3 | 58% | 0.577 | 67% | 0.673 | S | S | * | * | trans | 105.1 | 48 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E93 | G91-E93 PolarHBondContact O-N 2.74Å; G91-E93 VanDerWaalsContact O-N 3.15Å | ||
| 92 | D | 56.5 | Low | 60 | Low | 112 Ų | 112 | 119.3 Ų | 119.3 | 60% | 0.599 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.1 | -8.6 | -176.9 | -66.3 | -17.6 | 0 | 0 | 0 | 114.3 | G96 | D92-G96 PolarHBondContact O-N 3.13Å; D92-G96 VanDerWaalsContact O-N 3.16Å |
| 93 | E | 61 | Low | 62.4 | Low | 183 Ų | 183 | 118 Ų | 118 | 86% | 0.855 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72.2 | -37.7 | -176.2 | -67.2 | -177.2 | -176.2 | 0 | 0 | 113.3 | G91 G96 H97 | G91-E93 PolarHBondContact O-N 2.74Å; G91-E93 VanDerWaalsContact O-N 3.15Å; E93-G96 PolarHBondContact O-N 2.98Å; E93-H97 PolarHBondContact O-N 3.4Å |
| 94 | D | 68.9 | Low | 64.8 | Low | 133 Ų | 133 | 116.1 Ų | 116.1 | 71% | 0.711 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.8 | -43.5 | -177.2 | -167 | 28.7 | 0 | 0 | 0 | 111.6 | G96 H97 E98 | D94-G96 PolarHBondContact O-N 2.92Å; D94-H97 PolarHBondContact O-N 3.5Å; D94-H97 VanDerWaalsContact O-N 3.17Å; D94-E98 PolarHBondContact O-N 3.45Å |
| 95 | M | 70.6 | Confident | 67.4 | Low | 122 Ų | 122 | 115 Ų | 115 | 60% | 0.601 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62 | -33.8 | 172.5 | -61 | -60.4 | -117.5 | 0 | 0 | 111.6 | H97 E98 V99 | M95-H97 VanDerWaalsContact C-N 3.32Å; M95-H97 PolarHBondContact O-N 3.48Å; M95-E98 PolarHBondContact O-N 2.97Å; M95-V99 WeakPolarHBondContact O-CB 3.39Å; M95-V99 VanDerWaalsContact O-CG2 3.25Å; M95-V99 WeakPolarHBondContact O-CG2 3.4Å; M95-V99 PolarHBondContact O-N 3.24Å |
| 96 | G | 77.3 | Confident | 69.4 | Low | 46 Ų | 46 | 110.8 Ų | 110.8 | 47% | 0.474 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | D92 E93 D94 G100 | D92-G96 PolarHBondContact O-N 3.13Å; D92-G96 VanDerWaalsContact O-N 3.16Å; E93-G96 PolarHBondContact O-N 2.98Å; D94-G96 PolarHBondContact O-N 2.92Å; G96-G100 PolarHBondContact O-N 2.98Å |
| 97 | H | 79.3 | Confident | 71.9 | Confident | 147 Ų | 147 | 107.5 Ų | 107.5 | 68% | 0.681 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.5 | -40.3 | 177.6 | -163.8 | -41.8 | 0 | 0 | 0 | 112.1 | E93 D94 M95 G100 S101 | E93-H97 PolarHBondContact O-N 3.4Å; D94-H97 PolarHBondContact O-N 3.5Å; D94-H97 VanDerWaalsContact O-N 3.17Å; M95-H97 VanDerWaalsContact C-N 3.32Å; M95-H97 PolarHBondContact O-N 3.48Å; H97-G100 PolarHBondContact O-N 3.29Å; H97-S101 WeakPolarHBondContact O-CB 3.45Å; H97-S101 PolarHBondContact O-N 3.32Å |
| 98 | E | 82.9 | Confident | 74.1 | Confident | 100 Ų | 100 | 105.7 Ų | 105.7 | 47% | 0.467 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.6 | -51.3 | 175.7 | -176.5 | 175 | -174.5 | 0 | 0 | 110.7 | D94 M95 G100 S101 M102 | D94-E98 PolarHBondContact O-N 3.45Å; M95-E98 PolarHBondContact O-N 2.97Å; E98-G100 VanDerWaalsContact C-N 3.33Å; E98-G100 PolarHBondContact O-N 3.27Å; E98-S101 PolarHBondContact O-N 2.93Å; E98-S101 VanDerWaalsContact O-N 3.12Å; E98-S101 PolarHBondContact O-OG 3.21Å; E98-M102 HydrophobicContact CG-CE 3.73Å; E98-M102 HydrophobicContact CG-SD 4.4Å; E98-M102 WeakPolarHBondContact O-CG 3.31Å; E98-M102 PolarHBondContact O-N 3.41Å; E98-M102 WeakPolarHBondContact OE1-CE 3.5Å |
| 99 | V | 83.9 | Confident | 76.6 | Confident | 80 Ų | 80 | 101 Ų | 101 | 49% | 0.485 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.6 | -43.6 | 177.1 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | M95 S101 M102 L103 | M95-V99 WeakPolarHBondContact O-CB 3.39Å; M95-V99 VanDerWaalsContact O-CG2 3.25Å; M95-V99 WeakPolarHBondContact O-CG2 3.4Å; M95-V99 PolarHBondContact O-N 3.24Å; V99-S101 VanDerWaalsContact C-N 3.32Å; V99-S101 PolarHBondContact O-N 3.43Å; V99-M102 PolarHBondContact O-N 3.49Å; V99-L103 HydrophobicContact CG1-CD1 3.96Å; V99-L103 HydrophobicContact CG1-CG 4.3Å; V99-L103 WeakPolarHBondContact O-CB 3.47Å; V99-L103 VanDerWaalsContact O-CG 3.29Å; V99-L103 WeakPolarHBondContact O-CG 3.49Å; V99-L103 PolarHBondContact O-N 3.03Å |
| 100 | G | 85.6 | Confident | 79.1 | Confident | 37 Ų | 37 | 99.7 Ų | 99.7 | 38% | 0.381 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57.6 | -43.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | G96 H97 E98 L103 D104 | G96-G100 PolarHBondContact O-N 2.98Å; H97-G100 PolarHBondContact O-N 3.29Å; E98-G100 VanDerWaalsContact C-N 3.33Å; E98-G100 PolarHBondContact O-N 3.27Å; G100-L103 PolarHBondContact O-N 2.95Å; G100-D104 WeakPolarHBondContact O-CB 3.38Å; G100-D104 PolarHBondContact O-N 3.08Å |
| 101 | S | 85.6 | Confident | 81.7 | Confident | 39 Ų | 39 | 96.9 Ų | 96.9 | 27% | 0.273 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.5 | -34.6 | 177.7 | 80.7 | 0 | 0 | 0 | 0 | 113.3 | H97 E98 V99 K105 | H97-S101 WeakPolarHBondContact O-CB 3.45Å; H97-S101 PolarHBondContact O-N 3.32Å; E98-S101 PolarHBondContact O-N 2.93Å; E98-S101 VanDerWaalsContact O-N 3.12Å; E98-S101 PolarHBondContact O-OG 3.21Å; V99-S101 VanDerWaalsContact C-N 3.32Å; V99-S101 PolarHBondContact O-N 3.43Å; S101-K105 VanDerWaalsContact O-CG 3.27Å; S101-K105 WeakPolarHBondContact O-CG 3.34Å; S101-K105 PolarHBondContact O-N 3.47Å; S101-K105 VanDerWaalsContact O-N 3.14Å |
| 102 | M | 86.6 | Confident | 84 | Confident | 105 Ų | 105 | 99.1 Ų | 99.1 | 52% | 0.517 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.5 | -40.3 | 175.5 | -71.7 | -176.4 | 178.2 | 0 | 0 | 111.3 | E98 V99 S106 | E98-M102 HydrophobicContact CG-CE 3.73Å; E98-M102 HydrophobicContact CG-SD 4.4Å; E98-M102 WeakPolarHBondContact O-CG 3.31Å; E98-M102 PolarHBondContact O-N 3.41Å; E98-M102 WeakPolarHBondContact OE1-CE 3.5Å; V99-M102 PolarHBondContact O-N 3.49Å; M102-S106 VanDerWaalsContact O-CB 3.29Å; M102-S106 WeakPolarHBondContact O-CB 3.44Å; M102-S106 PolarHBondContact O-N 3.25Å |
| 103 | L | 89.5 | Confident | 85.9 | Confident | 118 Ų | 118 | 98.2 Ų | 98.2 | 62% | 0.618 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.7 | -39.9 | 176.1 | -71.2 | 175 | 0 | 0 | 0 | 112.1 | V99 G100 S106 G107 | V99-L103 HydrophobicContact CG1-CD1 3.96Å; V99-L103 HydrophobicContact CG1-CG 4.3Å; V99-L103 WeakPolarHBondContact O-CB 3.47Å; V99-L103 VanDerWaalsContact O-CG 3.29Å; V99-L103 WeakPolarHBondContact O-CG 3.49Å; V99-L103 PolarHBondContact O-N 3.03Å; G100-L103 PolarHBondContact O-N 2.95Å; L103-S106 PolarHBondContact O-N 3.41Å; L103-G107 PolarHBondContact O-N 3.36Å |
| 104 | D | 90.3 | Very high | 87.6 | Confident | 125 Ų | 125 | 94.1 Ų | 94.1 | 67% | 0.668 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.2 | -47.8 | 176.3 | -171.6 | 49.4 | 0 | 0 | 0 | 111.4 | G100 S106 G107 D108 | G100-D104 WeakPolarHBondContact O-CB 3.38Å; G100-D104 PolarHBondContact O-N 3.08Å; D104-S106 PolarHBondContact O-N 3.42Å; D104-G107 PolarHBondContact O-N 2.96Å; D104-D108 PolarHBondContact O-N 3.21Å |
| 105 | K | 90.7 | Very high | 88.9 | Confident | 134 Ų | 134 | 91.2 Ų | 91.2 | 58% | 0.583 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.4 | -46.8 | 173.5 | -71.9 | 169.9 | -175.9 | 169.8 | 0 | 112 | S101 G107 D108 D109 | S101-K105 VanDerWaalsContact O-CG 3.27Å; S101-K105 WeakPolarHBondContact O-CG 3.34Å; S101-K105 PolarHBondContact O-N 3.47Å; S101-K105 VanDerWaalsContact O-N 3.14Å; K105-G107 VanDerWaalsContact C-N 3.31Å; K105-G107 PolarHBondContact O-N 3.24Å; K105-D108 PolarHBondContact O-N 2.96Å; K105-D109 PolarHBondContact O-N 2.89Å |
| 106 | S | 88 | Confident | 90.1 | Very high | 58 Ų | 58 | 91.1 Ų | 91.1 | 41% | 0.406 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 177 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | M102 L103 D104 D109 I110 | M102-S106 VanDerWaalsContact O-CB 3.29Å; M102-S106 WeakPolarHBondContact O-CB 3.44Å; M102-S106 PolarHBondContact O-N 3.25Å; L103-S106 PolarHBondContact O-N 3.41Å; D104-S106 PolarHBondContact O-N 3.42Å; S106-D109 PolarHBondContact O-N 3.48Å; S106-I110 WeakPolarHBondContact O-CB 3.4Å; S106-I110 WeakPolarHBondContact O-CD1 3.41Å; S106-I110 WeakPolarHBondContact O-CG1 3.43Å; S106-I110 PolarHBondContact O-N 3.13Å |
| 107 | G | 92.3 | Very high | 91.1 | Very high | 37 Ų | 37 | 94.9 Ų | 94.9 | 38% | 0.381 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L103 D104 K105 I110 Y111 | L103-G107 PolarHBondContact O-N 3.36Å; D104-G107 PolarHBondContact O-N 2.96Å; K105-G107 VanDerWaalsContact C-N 3.31Å; K105-G107 PolarHBondContact O-N 3.24Å; G107-I110 PolarHBondContact O-N 3.19Å; G107-Y111 WeakPolarHBondContact O-CB 3.46Å; G107-Y111 PolarHBondContact O-N 3.36Å |
| 108 | D | 93 | Very high | 92 | Very high | 70 Ų | 70 | 93.7 Ų | 93.7 | 37% | 0.374 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 175.5 | -174.8 | 39.1 | 0 | 0 | 0 | 111.9 | D104 K105 I110 Y111 K112 | D104-D108 PolarHBondContact O-N 3.21Å; K105-D108 PolarHBondContact O-N 2.96Å; D108-I110 PolarHBondContact O-N 3.17Å; D108-Y111 PolarHBondContact O-N 3.05Å; D108-K112 WeakPolarHBondContact O-CB 3.5Å; D108-K112 VanDerWaalsContact O-CG 3.32Å; D108-K112 WeakPolarHBondContact O-CG 3.4Å; D108-K112 PolarHBondContact O-N 2.92Å; D108-K112 WeakPolarHBondContact OD1-CE 3.41Å; D108-K112 IonicContact OD1-NZ 3.81Å; D108-K112 WeakPolarHBondContact OD2-CE 3.44Å; D108-K112 IonicContact OD2-NZ 2.62Å; D108-K112 PolarHBondContact OD2-NZ 2.87Å |
| 109 | D | 93.9 | Very high | 92.7 | Very high | 93 Ų | 93 | 93.7 Ų | 93.7 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 175.8 | -73.5 | -20.4 | 0 | 0 | 0 | 112.1 | K105 S106 T113 | K105-D109 PolarHBondContact O-N 2.89Å; S106-D109 PolarHBondContact O-N 3.48Å; D109-T113 VanDerWaalsContact O-CB 3.31Å; D109-T113 WeakPolarHBondContact O-CB 3.41Å; D109-T113 PolarHBondContact O-N 3.38Å; D109-T113 PolarHBondContact O-OG1 3.49Å |
| 110 | I | 95.1 | Very high | 93.4 | Very high | 95 Ų | 95 | 97.9 Ų | 97.9 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | 173.5 | -69.7 | 163.4 | 0 | 0 | 0 | 110 | S106 G107 D108 T113 L114 | S106-I110 WeakPolarHBondContact O-CB 3.4Å; S106-I110 WeakPolarHBondContact O-CD1 3.41Å; S106-I110 WeakPolarHBondContact O-CG1 3.43Å; S106-I110 PolarHBondContact O-N 3.13Å; G107-I110 PolarHBondContact O-N 3.19Å; D108-I110 PolarHBondContact O-N 3.17Å; I110-T113 PolarHBondContact O-N 3.28Å; I110-L114 HydrophobicContact CG2-CD1 3.84Å; I110-L114 HydrophobicContact CG2-CG 4.32Å; I110-L114 WeakPolarHBondContact O-CB 3.48Å; I110-L114 VanDerWaalsContact O-CG 3.29Å; I110-L114 WeakPolarHBondContact O-CG 3.39Å; I110-L114 PolarHBondContact O-N 3.49Å |
| 111 | Y | 96.3 | Very high | 94 | Very high | 145 Ų | 145 | 100.1 Ų | 100.1 | 57% | 0.569 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.3 | -48.2 | 179.6 | 178.2 | -93.5 | 0 | 0 | 0 | 111.8 | G107 D108 T113 L114 H115 | G107-Y111 WeakPolarHBondContact O-CB 3.46Å; G107-Y111 PolarHBondContact O-N 3.36Å; D108-Y111 PolarHBondContact O-N 3.05Å; Y111-T113 PolarHBondContact O-N 2.95Å; Y111-L114 PolarHBondContact O-N 3.37Å; Y111-H115 WeakPolarHBondContact O-CB 3.35Å; Y111-H115 PolarHBondContact O-N 3.44Å |
| 112 | K | 96.3 | Very high | 94.5 | Very high | 102 Ų | 102 | 102.6 Ų | 102.6 | 44% | 0.443 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 176.8 | -74.7 | 166.8 | 175.4 | 165.1 | 0 | 111.7 | D108 L114 H115 I116 | D108-K112 WeakPolarHBondContact O-CB 3.5Å; D108-K112 VanDerWaalsContact O-CG 3.32Å; D108-K112 WeakPolarHBondContact O-CG 3.4Å; D108-K112 PolarHBondContact O-N 2.92Å; D108-K112 WeakPolarHBondContact OD1-CE 3.41Å; D108-K112 IonicContact OD1-NZ 3.81Å; D108-K112 WeakPolarHBondContact OD2-CE 3.44Å; D108-K112 IonicContact OD2-NZ 2.62Å; D108-K112 PolarHBondContact OD2-NZ 2.87Å; K112-L114 PolarHBondContact O-N 2.96Å; K112-H115 PolarHBondContact O-N 3.33Å; K112-I116 WeakPolarHBondContact O-CG1 3.4Å; K112-I116 PolarHBondContact O-N 3.27Å |
| 113 | T | 96.4 | Very high | 95 | Very high | 94 Ų | 94 | 100.8 Ų | 100.8 | 58% | 0.577 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.6 | -46.4 | 178.6 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | D109 I110 Y111 H115 I116 K117 | D109-T113 VanDerWaalsContact O-CB 3.31Å; D109-T113 WeakPolarHBondContact O-CB 3.41Å; D109-T113 PolarHBondContact O-N 3.38Å; D109-T113 PolarHBondContact O-OG1 3.49Å; I110-T113 PolarHBondContact O-N 3.28Å; Y111-T113 PolarHBondContact O-N 2.95Å; T113-H115 VanDerWaalsContact C-N 3.33Å; T113-H115 PolarHBondContact O-N 3.25Å; T113-I116 PolarHBondContact O-N 2.95Å; T113-K117 WeakPolarHBondContact O-CB 3.39Å; T113-K117 PolarHBondContact O-N 3.04Å |
| 114 | L | 96.7 | Very high | 95.3 | Very high | 96 Ų | 96 | 101.5 Ų | 101.5 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.7 | -36.9 | 176.5 | -71.8 | 176 | 0 | 0 | 0 | 112.3 | I110 Y111 K112 R118 | I110-L114 HydrophobicContact CG2-CD1 3.84Å; I110-L114 HydrophobicContact CG2-CG 4.32Å; I110-L114 WeakPolarHBondContact O-CB 3.48Å; I110-L114 VanDerWaalsContact O-CG 3.29Å; I110-L114 WeakPolarHBondContact O-CG 3.39Å; I110-L114 PolarHBondContact O-N 3.49Å; Y111-L114 PolarHBondContact O-N 3.37Å; K112-L114 PolarHBondContact O-N 2.96Å; L114-R118 WeakPolarHBondContact O-CB 3.49Å; L114-R118 PolarHBondContact O-N 2.95Å |
| 115 | H | 96.7 | Very high | 95.7 | Very high | 73 Ų | 73 | 100 Ų | 100 | 34% | 0.338 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.9 | -46.4 | 177.1 | -167.3 | 86.7 | 0 | 0 | 0 | 111.7 | Y111 K112 T113 R118 K119 | Y111-H115 WeakPolarHBondContact O-CB 3.35Å; Y111-H115 PolarHBondContact O-N 3.44Å; K112-H115 PolarHBondContact O-N 3.33Å; T113-H115 VanDerWaalsContact C-N 3.33Å; T113-H115 PolarHBondContact O-N 3.25Å; H115-R118 PolarHBondContact O-N 3.05Å; H115-K119 WeakPolarHBondContact O-CG 3.45Å; H115-K119 PolarHBondContact O-N 2.94Å |
| 116 | I | 96.9 | Very high | 95.9 | Very high | 119 Ų | 119 | 101.3 Ų | 101.3 | 61% | 0.61 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.6 | -48.5 | 175.7 | -67.3 | 165 | 0 | 0 | 0 | 110.3 | K112 T113 R118 K119 W120 | K112-I116 WeakPolarHBondContact O-CG1 3.4Å; K112-I116 PolarHBondContact O-N 3.27Å; T113-I116 PolarHBondContact O-N 2.95Å; I116-R118 VanDerWaalsContact C-N 3.32Å; I116-R118 PolarHBondContact O-N 3.42Å; I116-K119 PolarHBondContact O-N 3.28Å; I116-K119 VanDerWaalsContact O-N 3.17Å; I116-W120 PolarHBondContact O-N 2.87Å |
| 117 | K | 98 | Very high | 96.3 | Very high | 126 Ų | 126 | 104.5 Ų | 104.5 | 55% | 0.548 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 178.2 | -169.3 | -173.5 | -179.3 | -162.2 | 0 | 111.8 | T113 W120 M121 | T113-K117 WeakPolarHBondContact O-CB 3.39Å; T113-K117 PolarHBondContact O-N 3.04Å; K117-W120 PolarHBondContact O-N 2.9Å; K117-M121 HydrophobicContact CG-CE 4.33Å; K117-M121 WeakPolarHBondContact O-CG 3.35Å; K117-M121 PolarHBondContact O-N 3.09Å |
| 118 | R | 97.9 | Very high | 96.5 | Very high | 121 Ų | 121 | 105.2 Ų | 105.2 | 46% | 0.457 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60 | -48.6 | 175.5 | -176.4 | -172.8 | -60.2 | 141 | 3.8 | 111.2 | L114 H115 I116 W120 M121 E122 | L114-R118 WeakPolarHBondContact O-CB 3.49Å; L114-R118 PolarHBondContact O-N 2.95Å; H115-R118 PolarHBondContact O-N 3.05Å; I116-R118 VanDerWaalsContact C-N 3.32Å; I116-R118 PolarHBondContact O-N 3.42Å; R118-W120 VanDerWaalsContact C-N 3.34Å; R118-W120 PolarHBondContact O-N 3.02Å; R118-M121 PolarHBondContact O-N 3.38Å; R118-E122 WeakPolarHBondContact CD-OE1 3.45Å; R118-E122 HydrophobicContact CG-CG 4.39Å; R118-E122 WeakPolarHBondContact CG-OE1 3.49Å; R118-E122 WeakPolarHBondContact O-CB 3.5Å; R118-E122 WeakPolarHBondContact O-CG 3.28Å; R118-E122 PolarHBondContact O-N 3.42Å |
| 119 | K | 97.9 | Very high | 96.6 | Very high | 101 Ų | 101 | 108.9 Ų | 108.9 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 179.2 | -77.3 | -74.3 | 161.7 | -142.6 | 0 | 112.3 | H115 I116 E122 T123 | H115-K119 WeakPolarHBondContact O-CG 3.45Å; H115-K119 PolarHBondContact O-N 2.94Å; I116-K119 PolarHBondContact O-N 3.28Å; I116-K119 VanDerWaalsContact O-N 3.17Å; K119-E122 IonicContact NZ-OE2 2.81Å; K119-E122 PolarHBondContact NZ-OE2 3.4Å; K119-E122 PolarHBondContact O-N 3.28Å; K119-T123 PolarHBondContact O-N 3.36Å; K119-T123 PolarHBondContact O-OG1 3.03Å; K119-T123 VanDerWaalsContact O-OG1 3.13Å |
| 120 | W | 97.4 | Very high | 96.7 | Very high | 167 Ų | 167 | 111.8 Ų | 111.8 | 63% | 0.633 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.4 | -47.5 | 175.4 | 177.7 | 80.9 | 0 | 0 | 0 | 112 | I116 K117 R118 T123 Y124 | I116-W120 PolarHBondContact O-N 2.87Å; K117-W120 PolarHBondContact O-N 2.9Å; R118-W120 VanDerWaalsContact C-N 3.34Å; R118-W120 PolarHBondContact O-N 3.02Å; W120-T123 PolarHBondContact O-N 3.46Å; W120-Y124 WeakPolarHBondContact O-CB 3.33Å; W120-Y124 PolarHBondContact O-N 3.1Å |
| 121 | M | 98 | Very high | 96.7 | Very high | 84 Ų | 84 | 109 Ų | 109 | 41% | 0.414 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 177.3 | -69.5 | -174.8 | -57.6 | 0 | 0 | 112.6 | K117 R118 T123 Y124 V125 | K117-M121 HydrophobicContact CG-CE 4.33Å; K117-M121 WeakPolarHBondContact O-CG 3.35Å; K117-M121 PolarHBondContact O-N 3.09Å; R118-M121 PolarHBondContact O-N 3.38Å; M121-T123 VanDerWaalsContact C-N 3.34Å; M121-T123 PolarHBondContact O-N 3.37Å; M121-Y124 PolarHBondContact O-N 3.39Å; M121-V125 WeakPolarHBondContact O-CB 3.49Å; M121-V125 VanDerWaalsContact O-CG2 3.3Å; M121-V125 WeakPolarHBondContact O-CG2 3.42Å; M121-V125 PolarHBondContact O-N 3.33Å |
| 122 | E | 97.1 | Very high | 96.7 | Very high | 91 Ų | 91 | 106 Ų | 106 | 43% | 0.425 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.7 | -47.1 | 176.5 | -77.7 | 172.2 | -173.2 | 0 | 0 | 111.2 | R118 K119 K126 | R118-E122 WeakPolarHBondContact CD-OE1 3.45Å; R118-E122 HydrophobicContact CG-CG 4.39Å; R118-E122 WeakPolarHBondContact CG-OE1 3.49Å; R118-E122 WeakPolarHBondContact O-CB 3.5Å; R118-E122 WeakPolarHBondContact O-CG 3.28Å; R118-E122 PolarHBondContact O-N 3.42Å; K119-E122 IonicContact NZ-OE2 2.81Å; K119-E122 PolarHBondContact NZ-OE2 3.4Å; K119-E122 PolarHBondContact O-N 3.28Å; E122-K126 VanDerWaalsContact O-CB 3.29Å; E122-K126 WeakPolarHBondContact O-CB 3.35Å; E122-K126 PolarHBondContact O-N 3.37Å |
| 123 | T | 96.7 | Very high | 96.6 | Very high | 68 Ų | 68 | 105 Ų | 105 | 42% | 0.417 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65 | -49.3 | 177.6 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | K119 W120 M121 V125 K126 E127 | K119-T123 PolarHBondContact O-N 3.36Å; K119-T123 PolarHBondContact O-OG1 3.03Å; K119-T123 VanDerWaalsContact O-OG1 3.13Å; W120-T123 PolarHBondContact O-N 3.46Å; M121-T123 VanDerWaalsContact C-N 3.34Å; M121-T123 PolarHBondContact O-N 3.37Å; T123-V125 VanDerWaalsContact C-N 3.35Å; T123-V125 PolarHBondContact O-N 2.95Å; T123-K126 WeakPolarHBondContact O-CB 3.37Å; T123-K126 PolarHBondContact O-N 2.92Å; T123-K126 VanDerWaalsContact O-N 3.1Å; T123-E127 HydrophobicContact CG2-CG 4.3Å; T123-E127 WeakPolarHBondContact CG2-OE1 3.42Å; T123-E127 WeakPolarHBondContact O-CG 3.3Å; T123-E127 PolarHBondContact O-N 3.08Å |
| 124 | Y | 96.6 | Very high | 96.7 | Very high | 133 Ų | 133 | 105.4 Ų | 105.4 | 52% | 0.522 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -55.9 | -47 | 179 | 173.8 | -96.9 | 0 | 0 | 0 | 112.2 | W120 M121 E127 S128 | W120-Y124 WeakPolarHBondContact O-CB 3.33Å; W120-Y124 PolarHBondContact O-N 3.1Å; M121-Y124 PolarHBondContact O-N 3.39Å; Y124-E127 PolarHBondContact O-N 2.86Å; Y124-S128 VanDerWaalsContact O-CB 3.22Å; Y124-S128 WeakPolarHBondContact O-CB 3.43Å; Y124-S128 PolarHBondContact O-N 3.17Å; Y124-S128 PolarHBondContact O-OG 3.36Å |
| 125 | V | 97 | Very high | 96.7 | Very high | 92 Ų | 92 | 108 Ų | 108 | 56% | 0.558 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.8 | -42.6 | 177.6 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | M121 T123 S128 F129 | M121-V125 WeakPolarHBondContact O-CB 3.49Å; M121-V125 VanDerWaalsContact O-CG2 3.3Å; M121-V125 WeakPolarHBondContact O-CG2 3.42Å; M121-V125 PolarHBondContact O-N 3.33Å; T123-V125 VanDerWaalsContact C-N 3.35Å; T123-V125 PolarHBondContact O-N 2.95Å; V125-S128 PolarHBondContact O-N 2.95Å; V125-F129 VanDerWaalsContact O-CB 3.27Å; V125-F129 WeakPolarHBondContact O-CB 3.31Å; V125-F129 PolarHBondContact O-N 3.5Å |
| 126 | K | 96.7 | Very high | 96.7 | Very high | 162 Ų | 162 | 109.3 Ų | 109.3 | 70% | 0.704 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.8 | -45.1 | 179.5 | -176 | -178.2 | 178.7 | -175.4 | 0 | 112.1 | E122 T123 K130 | E122-K126 VanDerWaalsContact O-CB 3.29Å; E122-K126 WeakPolarHBondContact O-CB 3.35Å; E122-K126 PolarHBondContact O-N 3.37Å; T123-K126 WeakPolarHBondContact O-CB 3.37Å; T123-K126 PolarHBondContact O-N 2.92Å; T123-K126 VanDerWaalsContact O-N 3.1Å; K126-K130 WeakPolarHBondContact O-CB 3.16Å; K126-K130 PolarHBondContact O-N 2.93Å |
| 127 | E | 96.4 | Very high | 96.7 | Very high | 125 Ų | 125 | 107.9 Ų | 107.9 | 58% | 0.584 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.9 | -45 | 178.4 | -71.3 | 174.2 | 168.2 | 0 | 0 | 111.4 | T123 Y124 F129 K130 G131 | T123-E127 HydrophobicContact CG2-CG 4.3Å; T123-E127 WeakPolarHBondContact CG2-OE1 3.42Å; T123-E127 WeakPolarHBondContact O-CG 3.3Å; T123-E127 PolarHBondContact O-N 3.08Å; Y124-E127 PolarHBondContact O-N 2.86Å; E127-F129 VanDerWaalsContact C-N 3.33Å; E127-F129 PolarHBondContact O-N 2.89Å; E127-K130 PolarHBondContact O-N 2.88Å; E127-G131 PolarHBondContact O-N 3.42Å |
| 128 | S | 95.3 | Very high | 96.7 | Very high | 52 Ų | 52 | 108.9 Ų | 108.9 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.5 | -45.8 | 175.1 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | Y124 V125 S132 | Y124-S128 VanDerWaalsContact O-CB 3.22Å; Y124-S128 WeakPolarHBondContact O-CB 3.43Å; Y124-S128 PolarHBondContact O-N 3.17Å; Y124-S128 PolarHBondContact O-OG 3.36Å; V125-S128 PolarHBondContact O-N 2.95Å; S128-S132 WeakPolarHBondContact O-CB 3.47Å; S128-S132 PolarHBondContact O-N 3.48Å |
| 129 | F | 94.8 | Very high | 96.7 | Very high | 148 Ų | 148 | 109.6 Ų | 109.6 | 65% | 0.649 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.5 | -43.9 | 178.1 | -173.1 | -97.2 | 0 | 0 | 0 | 111.6 | V125 E127 S132 N133 | V125-F129 VanDerWaalsContact O-CB 3.27Å; V125-F129 WeakPolarHBondContact O-CB 3.31Å; V125-F129 PolarHBondContact O-N 3.5Å; E127-F129 VanDerWaalsContact C-N 3.33Å; E127-F129 PolarHBondContact O-N 2.89Å; F129-S132 PolarHBondContact O-N 3.34Å; F129-N133 VanDerWaalsContact O-CB 3.24Å; F129-N133 WeakPolarHBondContact O-CB 3.46Å; F129-N133 PolarHBondContact O-N 2.98Å |
| 130 | K | 96.3 | Very high | 96.7 | Very high | 154 Ų | 154 | 107.1 Ų | 107.1 | 67% | 0.67 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.7 | -50.9 | 177.6 | -175.8 | -175.3 | 176.5 | -169.3 | 0 | 111.6 | K126 E127 N133 Q134 | K126-K130 WeakPolarHBondContact O-CB 3.16Å; K126-K130 PolarHBondContact O-N 2.93Å; E127-K130 PolarHBondContact O-N 2.88Å; K130-N133 PolarHBondContact O-N 3.18Å; K130-Q134 WeakPolarHBondContact O-CB 3.21Å; K130-Q134 PolarHBondContact O-N 2.91Å |
| 131 | G | 95.8 | Very high | 96.7 | Very high | 37 Ų | 37 | 104.3 Ų | 104.3 | 38% | 0.381 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | E127 Q134 K135 | E127-G131 PolarHBondContact O-N 3.42Å; G131-Q134 PolarHBondContact O-N 3.25Å; G131-K135 WeakPolarHBondContact O-CB 3.46Å; G131-K135 PolarHBondContact O-N 3.05Å |
| 132 | S | 95.6 | Very high | 96.7 | Very high | 81 Ų | 81 | 103 Ų | 103 | 57% | 0.566 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.9 | -45.5 | 176.3 | -174 | 0 | 0 | 0 | 0 | 112 | S128 F129 Q134 K135 L136 | S128-S132 WeakPolarHBondContact O-CB 3.47Å; S128-S132 PolarHBondContact O-N 3.48Å; F129-S132 PolarHBondContact O-N 3.34Å; S132-Q134 PolarHBondContact O-N 2.93Å; S132-K135 WeakPolarHBondContact O-CB 3.31Å; S132-K135 PolarHBondContact O-N 2.74Å; S132-L136 PolarHBondContact O-N 3.41Å |
| 133 | N | 95.4 | Very high | 96.7 | Very high | 82 Ų | 82 | 101.6 Ų | 101.6 | 44% | 0.439 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 179.6 | -166.8 | 61.9 | 0 | 0 | 0 | 112.1 | F129 K130 K135 L136 E137 | F129-N133 VanDerWaalsContact O-CB 3.24Å; F129-N133 WeakPolarHBondContact O-CB 3.46Å; F129-N133 PolarHBondContact O-N 2.98Å; K130-N133 PolarHBondContact O-N 3.18Å; N133-K135 VanDerWaalsContact C-N 3.31Å; N133-K135 PolarHBondContact O-N 2.89Å; N133-L136 PolarHBondContact O-N 3.38Å; N133-E137 WeakPolarHBondContact O-CB 3.35Å; N133-E137 PolarHBondContact O-N 3.41Å |
| 134 | Q | 97.2 | Very high | 96.8 | Very high | 101 Ų | 101 | 104.4 Ų | 104.4 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63 | -37.6 | 175.2 | -170.8 | -173.2 | 15.1 | 0 | 0 | 112 | K130 G131 S132 R138 | K130-Q134 WeakPolarHBondContact O-CB 3.21Å; K130-Q134 PolarHBondContact O-N 2.91Å; G131-Q134 PolarHBondContact O-N 3.25Å; S132-Q134 PolarHBondContact O-N 2.93Å; Q134-R138 WeakPolarHBondContact O-CG 3.45Å; Q134-R138 PolarHBondContact O-N 3.42Å; Q134-R138 VanDerWaalsContact O-N 3.1Å; Q134-R138 PolarHBondContact O-NE 3.2Å |
| 135 | K | 97.1 | Very high | 96.9 | Very high | 151 Ų | 151 | 105.8 Ų | 105.8 | 66% | 0.657 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.6 | -44.6 | 174.8 | -175.9 | 176.5 | -179.5 | 176.4 | 0 | 111.4 | G131 S132 N133 R138 F139 | G131-K135 WeakPolarHBondContact O-CB 3.46Å; G131-K135 PolarHBondContact O-N 3.05Å; S132-K135 WeakPolarHBondContact O-CB 3.31Å; S132-K135 PolarHBondContact O-N 2.74Å; N133-K135 VanDerWaalsContact C-N 3.31Å; N133-K135 PolarHBondContact O-N 2.89Å; K135-R138 PolarHBondContact O-N 3.25Å; K135-F139 WeakPolarHBondContact O-CB 3.09Å; K135-F139 PolarHBondContact O-N 3.02Å |
| 136 | L | 96.9 | Very high | 97 | Very high | 100 Ų | 100 | 106.7 Ų | 106.7 | 52% | 0.524 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 177 | -179.2 | 61.2 | 0 | 0 | 0 | 111.3 | S132 N133 R138 F139 C140 | S132-L136 PolarHBondContact O-N 3.41Å; N133-L136 PolarHBondContact O-N 3.38Å; L136-R138 PolarHBondContact O-N 2.93Å; L136-F139 WeakPolarHBondContact O-CB 3.39Å; L136-F139 PolarHBondContact O-N 3.22Å; L136-C140 WeakPolarHBondContact O-CB 3.4Å; L136-C140 PolarHBondContact O-N 3.46Å; L136-C140 PolarHBondContact O-SG 3.48Å; L136-C140 VanDerWaalsContact O-SG 3.34Å |
| 137 | E | 96.2 | Very high | 97 | Very high | 90 Ų | 90 | 104.4 Ų | 104.4 | 42% | 0.421 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 178 | -171.7 | -173.5 | 167.8 | 0 | 0 | 112.1 | N133 F139 C140 K141 | N133-E137 WeakPolarHBondContact O-CB 3.35Å; N133-E137 PolarHBondContact O-N 3.41Å; E137-F139 VanDerWaalsContact C-N 3.31Å; E137-F139 PolarHBondContact O-N 3.03Å; E137-C140 PolarHBondContact O-N 2.86Å; E137-K141 HydrophobicContact CG-CD 4.18Å; E137-K141 WeakPolarHBondContact O-CB 3.39Å; E137-K141 WeakPolarHBondContact O-CG 3.11Å; E137-K141 PolarHBondContact O-N 3.48Å; E137-K141 VanDerWaalsContact OE1-CE 3.29Å; E137-K141 WeakPolarHBondContact OE1-CE 3.49Å; E137-K141 IonicContact OE1-NZ 2.66Å; E137-K141 PolarHBondContact OE1-NZ 3.45Å |
| 138 | R | 98.2 | Very high | 97.1 | Very high | 146 Ų | 146 | 104.4 Ų | 104.4 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.5 | -42.5 | 175.4 | -76 | -173.4 | -73.3 | -179.4 | -4.5 | 112 | Q134 K135 L136 T142 | Q134-R138 WeakPolarHBondContact O-CG 3.45Å; Q134-R138 PolarHBondContact O-N 3.42Å; Q134-R138 VanDerWaalsContact O-N 3.1Å; Q134-R138 PolarHBondContact O-NE 3.2Å; K135-R138 PolarHBondContact O-N 3.25Å; L136-R138 PolarHBondContact O-N 2.93Å; R138-T142 WeakPolarHBondContact O-CB 3.32Å; R138-T142 PolarHBondContact O-N 3.37Å; R138-T142 PolarHBondContact O-OG1 2.92Å |
| 139 | F | 97.6 | Very high | 97.3 | Very high | 137 Ų | 137 | 105.8 Ų | 105.8 | 60% | 0.601 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63 | -49.1 | 176.8 | 175.8 | -97.9 | 0 | 0 | 0 | 111.5 | K135 L136 E137 T142 N143 | K135-F139 WeakPolarHBondContact O-CB 3.09Å; K135-F139 PolarHBondContact O-N 3.02Å; L136-F139 WeakPolarHBondContact O-CB 3.39Å; L136-F139 PolarHBondContact O-N 3.22Å; E137-F139 VanDerWaalsContact C-N 3.31Å; E137-F139 PolarHBondContact O-N 3.03Å; F139-T142 PolarHBondContact O-N 2.68Å; F139-N143 WeakPolarHBondContact O-CB 3.04Å; F139-N143 PolarHBondContact O-N 3.34Å |
| 140 | C | 97.8 | Very high | 97.4 | Very high | 49 Ų | 49 | 103.1 Ų | 103.1 | 33% | 0.331 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58 | -51.4 | 177.8 | -72.4 | 0 | 0 | 0 | 0 | 111.7 | L136 E137 T142 N143 E144 | L136-C140 WeakPolarHBondContact O-CB 3.4Å; L136-C140 PolarHBondContact O-N 3.46Å; L136-C140 PolarHBondContact O-SG 3.48Å; L136-C140 VanDerWaalsContact O-SG 3.34Å; E137-C140 PolarHBondContact O-N 2.86Å; C140-T142 VanDerWaalsContact C-N 3.3Å; C140-T142 PolarHBondContact O-N 3.11Å; C140-N143 PolarHBondContact O-N 2.88Å; C140-E144 WeakPolarHBondContact O-CB 3.36Å; C140-E144 WeakPolarHBondContact O-CG 3.35Å; C140-E144 PolarHBondContact O-N 3.41Å |
| 141 | K | 98.1 | Very high | 97.5 | Very high | 108 Ų | 108 | 99.8 Ų | 99.8 | 47% | 0.47 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.4 | -41.6 | 177.6 | -75.3 | 175.4 | 169.4 | 173.1 | 0 | 112.4 | E137 R145 | E137-K141 HydrophobicContact CG-CD 4.18Å; E137-K141 WeakPolarHBondContact O-CB 3.39Å; E137-K141 WeakPolarHBondContact O-CG 3.11Å; E137-K141 PolarHBondContact O-N 3.48Å; E137-K141 VanDerWaalsContact OE1-CE 3.29Å; E137-K141 WeakPolarHBondContact OE1-CE 3.49Å; E137-K141 IonicContact OE1-NZ 2.66Å; E137-K141 PolarHBondContact OE1-NZ 3.45Å; K141-R145 WeakPolarHBondContact O-CB 3.34Å; K141-R145 PolarHBondContact O-N 3.5Å; K141-R145 VanDerWaalsContact O-N 3.11Å |
| 142 | T | 98.1 | Very high | 97.6 | Very high | 56 Ų | 56 | 101.4 Ų | 101.4 | 34% | 0.344 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.1 | -48.4 | 178.6 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | R138 F139 C140 E144 R145 E146 | R138-T142 WeakPolarHBondContact O-CB 3.32Å; R138-T142 PolarHBondContact O-N 3.37Å; R138-T142 PolarHBondContact O-OG1 2.92Å; F139-T142 PolarHBondContact O-N 2.68Å; C140-T142 VanDerWaalsContact C-N 3.3Å; C140-T142 PolarHBondContact O-N 3.11Å; T142-E144 PolarHBondContact O-N 3.19Å; T142-R145 WeakPolarHBondContact O-CB 3.3Å; T142-R145 PolarHBondContact O-N 2.98Å; T142-E146 WeakPolarHBondContact O-CG 3.49Å; T142-E146 PolarHBondContact O-N 3.41Å |
| 143 | N | 98 | Very high | 97.8 | Very high | 62 Ų | 62 | 102.8 Ų | 102.8 | 33% | 0.332 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 178.1 | 174.1 | 76.7 | 0 | 0 | 0 | 112.2 | F139 C140 E146 R147 | F139-N143 WeakPolarHBondContact O-CB 3.04Å; F139-N143 PolarHBondContact O-N 3.34Å; C140-N143 PolarHBondContact O-N 2.88Å; N143-E146 PolarHBondContact O-N 3.18Å; N143-R147 WeakPolarHBondContact O-CG 3.35Å; N143-R147 PolarHBondContact O-N 3.34Å |
| 144 | E | 98.1 | Very high | 97.9 | Very high | 127 Ų | 127 | 104 Ų | 104 | 59% | 0.593 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.5 | -45.2 | 174.4 | -76.2 | 172.4 | -169.9 | 0 | 0 | 112.1 | C140 T142 E146 R147 K148 | C140-E144 WeakPolarHBondContact O-CB 3.36Å; C140-E144 WeakPolarHBondContact O-CG 3.35Å; C140-E144 PolarHBondContact O-N 3.41Å; T142-E144 PolarHBondContact O-N 3.19Å; E144-E146 PolarHBondContact O-N 2.94Å; E144-R147 PolarHBondContact O-N 3.39Å; E144-K148 WeakPolarHBondContact O-CB 3.34Å; E144-K148 PolarHBondContact O-N 2.78Å |
| 145 | R | 98.3 | Very high | 97.9 | Very high | 161 Ų | 161 | 101.7 Ų | 101.7 | 61% | 0.608 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.2 | -44.2 | 177.5 | -169.2 | -171.4 | -58.2 | 119.5 | -1.9 | 111.6 | K141 T142 K148 N149 | K141-R145 WeakPolarHBondContact O-CB 3.34Å; K141-R145 PolarHBondContact O-N 3.5Å; K141-R145 VanDerWaalsContact O-N 3.11Å; T142-R145 WeakPolarHBondContact O-CB 3.3Å; T142-R145 PolarHBondContact O-N 2.98Å; R145-K148 PolarHBondContact O-N 2.89Å; R145-N149 WeakPolarHBondContact O-CB 3.34Å; R145-N149 PolarHBondContact O-N 3.08Å |
| 146 | E | 98.3 | Very high | 98 | Very high | 111 Ų | 111 | 100.5 Ų | 100.5 | 52% | 0.519 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 177.8 | -73.6 | -178.1 | 172.8 | 0 | 0 | 111.9 | T142 N143 E144 K148 N149 I150 | T142-E146 WeakPolarHBondContact O-CG 3.49Å; T142-E146 PolarHBondContact O-N 3.41Å; N143-E146 PolarHBondContact O-N 3.18Å; E144-E146 PolarHBondContact O-N 2.94Å; E146-K148 VanDerWaalsContact C-N 3.34Å; E146-K148 PolarHBondContact O-N 3.48Å; E146-N149 WeakPolarHBondContact O-CB 3.36Å; E146-N149 PolarHBondContact O-N 3.39Å; E146-I150 WeakPolarHBondContact O-CG1 3.46Å; E146-I150 PolarHBondContact O-N 2.89Å |
| 147 | R | 98.5 | Very high | 98.1 | Very high | 114 Ų | 114 | 101.4 Ų | 101.4 | 43% | 0.43 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 175.9 | -71.1 | -177.6 | 83.1 | 129.2 | 4.9 | 111.7 | G16 N143 E144 I150 N151 | G16-R147 PolarHBondContact O-NE 2.94Å; G16-R147 PolarHBondContact O-NH2 3.33Å; N143-R147 WeakPolarHBondContact O-CG 3.35Å; N143-R147 PolarHBondContact O-N 3.34Å; E144-R147 PolarHBondContact O-N 3.39Å; R147-I150 PolarHBondContact O-N 3.07Å; R147-N151 WeakPolarHBondContact O-CB 3.43Å; R147-N151 PolarHBondContact O-N 3.45Å |
| 148 | K | 98.4 | Very high | 98.2 | Very high | 125 Ų | 125 | 104 Ų | 104 | 54% | 0.543 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 176.2 | -174.5 | 175.6 | -178.8 | 176.6 | 0 | 111.4 | E144 R145 E146 N151 N152 | E144-K148 WeakPolarHBondContact O-CB 3.34Å; E144-K148 PolarHBondContact O-N 2.78Å; R145-K148 PolarHBondContact O-N 2.89Å; E146-K148 VanDerWaalsContact C-N 3.34Å; E146-K148 PolarHBondContact O-N 3.48Å; K148-N151 PolarHBondContact O-N 3.18Å; K148-N152 WeakPolarHBondContact O-CB 3.48Å; K148-N152 PolarHBondContact O-N 2.74Å; K148-N152 PolarHBondContact O-OD1 3.13Å |
| 149 | N | 98.3 | Very high | 98.2 | Very high | 82 Ų | 82 | 101.5 Ų | 101.5 | 44% | 0.439 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 177.4 | -178 | 43.6 | 0 | 0 | 0 | 112.1 | R145 E146 N152 K153 | R145-N149 WeakPolarHBondContact O-CB 3.34Å; R145-N149 PolarHBondContact O-N 3.08Å; E146-N149 WeakPolarHBondContact O-CB 3.36Å; E146-N149 PolarHBondContact O-N 3.39Å; N149-N152 PolarHBondContact O-N 2.89Å; N149-K153 WeakPolarHBondContact O-CG 3.39Å; N149-K153 PolarHBondContact O-N 3.26Å; N149-K153 VanDerWaalsContact O-N 3.09Å |
| 150 | I | 98.2 | Very high | 98.2 | Very high | 91 Ų | 91 | 99.2 Ų | 99.2 | 47% | 0.467 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.9 | -48.5 | 176.8 | -68.3 | 166 | 0 | 0 | 0 | 110.4 | E146 R147 N152 K153 F154 | E146-I150 WeakPolarHBondContact O-CG1 3.46Å; E146-I150 PolarHBondContact O-N 2.89Å; R147-I150 PolarHBondContact O-N 3.07Å; I150-N152 PolarHBondContact O-N 3.42Å; I150-K153 PolarHBondContact O-N 3.25Å; I150-F154 HydrophobicContact CG2-CD2 3.79Å; I150-F154 HydrophobicContact CG2-CE2 3.69Å; I150-F154 VanDerWaalsContact O-CD2 3.3Å; I150-F154 WeakPolarHBondContact O-CD2 3.35Å; I150-F154 PolarHBondContact O-N 3Å; I150-F154 VanDerWaalsContact O-N 3.1Å |
| 151 | N | 98.2 | Very high | 98.2 | Very high | 84 Ų | 84 | 101.2 Ų | 101.2 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 178.7 | -177.3 | 76.7 | 0 | 0 | 0 | 111.8 | R147 K148 K153 F154 C155 | R147-N151 WeakPolarHBondContact O-CB 3.43Å; R147-N151 PolarHBondContact O-N 3.45Å; K148-N151 PolarHBondContact O-N 3.18Å; N151-K153 VanDerWaalsContact C-N 3.35Å; N151-K153 PolarHBondContact O-N 2.72Å; N151-F154 PolarHBondContact O-N 3.34Å; N151-C155 PolarHBondContact O-N 3.43Å; N151-C155 PolarHBondContact O-SG 3.3Å |
| 152 | N | 98.3 | Very high | 98.2 | Very high | 71 Ų | 71 | 102.8 Ų | 102.8 | 38% | 0.38 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 178.5 | -72.6 | -1.9 | 0 | 0 | 0 | 111.9 | K148 N149 I150 F154 C155 E156 | K148-N152 WeakPolarHBondContact O-CB 3.48Å; K148-N152 PolarHBondContact O-N 2.74Å; K148-N152 PolarHBondContact O-OD1 3.13Å; N149-N152 PolarHBondContact O-N 2.89Å; I150-N152 PolarHBondContact O-N 3.42Å; N152-F154 VanDerWaalsContact C-N 3.33Å; N152-F154 PolarHBondContact O-N 2.89Å; N152-C155 PolarHBondContact O-N 3.45Å; N152-E156 WeakPolarHBondContact O-CG 3.48Å; N152-E156 PolarHBondContact O-N 2.86Å |
| 153 | K | 98.4 | Very high | 98.3 | Very high | 111 Ų | 111 | 106.2 Ų | 106.2 | 48% | 0.483 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 176.2 | -73.1 | 175.4 | 179.6 | -176.4 | 0 | 112.2 | N149 I150 N151 Q157 | N149-K153 WeakPolarHBondContact O-CG 3.39Å; N149-K153 PolarHBondContact O-N 3.26Å; N149-K153 VanDerWaalsContact O-N 3.09Å; I150-K153 PolarHBondContact O-N 3.25Å; N151-K153 VanDerWaalsContact C-N 3.35Å; N151-K153 PolarHBondContact O-N 2.72Å; K153-Q157 WeakPolarHBondContact O-CG 3.29Å; K153-Q157 PolarHBondContact O-N 3.27Å; K153-Q157 VanDerWaalsContact O-N 3.08Å |
| 154 | F | 98 | Very high | 98.3 | Very high | 106 Ų | 106 | 109.4 Ų | 109.4 | 47% | 0.465 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.1 | -44.2 | 175.7 | -81.5 | -68.9 | 0 | 0 | 0 | 111.9 | I150 N151 N152 E156 Q157 Y158 | I150-F154 HydrophobicContact CG2-CD2 3.79Å; I150-F154 HydrophobicContact CG2-CE2 3.69Å; I150-F154 VanDerWaalsContact O-CD2 3.3Å; I150-F154 WeakPolarHBondContact O-CD2 3.35Å; I150-F154 PolarHBondContact O-N 3Å; I150-F154 VanDerWaalsContact O-N 3.1Å; N151-F154 PolarHBondContact O-N 3.34Å; N152-F154 VanDerWaalsContact C-N 3.33Å; N152-F154 PolarHBondContact O-N 2.89Å; F154-E156 VanDerWaalsContact C-N 3.31Å; F154-E156 PolarHBondContact O-N 3.4Å; F154-Q157 WeakPolarHBondContact O-CB 3.44Å; F154-Q157 PolarHBondContact O-N 3.09Å; F154-Y158 HydrophobicContact CB-CD2 4.47Å; F154-Y158 HydrophobicContact CB-CE2 4.38Å; F154-Y158 WeakPolarHBondContact O-CD2 3.45Å; F154-Y158 PolarHBondContact O-N 3.05Å |
| 155 | C | 98.1 | Very high | 98.3 | Very high | 54 Ų | 54 | 106.4 Ų | 106.4 | 37% | 0.365 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56.2 | -45.8 | 175.7 | -70.6 | 0 | 0 | 0 | 0 | 111.6 | N151 N152 Q157 Y158 I159 | N151-C155 PolarHBondContact O-N 3.43Å; N151-C155 PolarHBondContact O-SG 3.3Å; N152-C155 PolarHBondContact O-N 3.45Å; C155-Q157 PolarHBondContact O-N 3.31Å; C155-Y158 PolarHBondContact O-N 3.23Å; C155-I159 WeakPolarHBondContact O-CB 3.46Å; C155-I159 WeakPolarHBondContact O-CD1 3.46Å; C155-I159 WeakPolarHBondContact O-CG1 3.43Å; C155-I159 PolarHBondContact O-N 3.01Å |
| 156 | E | 98.3 | Very high | 98.3 | Very high | 126 Ų | 126 | 103 Ų | 103 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.7 | -43.2 | 176.2 | -74.3 | 173.5 | -175 | 0 | 0 | 112.3 | N152 F154 I159 T160 | N152-E156 WeakPolarHBondContact O-CG 3.48Å; N152-E156 PolarHBondContact O-N 2.86Å; F154-E156 VanDerWaalsContact C-N 3.31Å; F154-E156 PolarHBondContact O-N 3.4Å; E156-I159 PolarHBondContact O-N 3.2Å; E156-T160 WeakPolarHBondContact O-CB 3.33Å; E156-T160 PolarHBondContact O-N 3.1Å; E156-T160 PolarHBondContact O-OG1 3.42Å |
| 157 | Q | 98.4 | Very high | 98.3 | Very high | 118 Ų | 118 | 103.2 Ų | 103.2 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62 | -44.7 | 175.6 | -74.1 | 177.4 | 8.4 | 0 | 0 | 112 | K153 F154 C155 T160 T161 | K153-Q157 WeakPolarHBondContact O-CG 3.29Å; K153-Q157 PolarHBondContact O-N 3.27Å; K153-Q157 VanDerWaalsContact O-N 3.08Å; F154-Q157 WeakPolarHBondContact O-CB 3.44Å; F154-Q157 PolarHBondContact O-N 3.09Å; C155-Q157 PolarHBondContact O-N 3.31Å; Q157-T160 PolarHBondContact O-N 3.18Å; Q157-T161 VanDerWaalsContact O-CB 3.31Å; Q157-T161 WeakPolarHBondContact O-CB 3.49Å; Q157-T161 PolarHBondContact O-N 3.23Å; Q157-T161 PolarHBondContact O-OG1 3.44Å |
| 158 | Y | 98.2 | Very high | 98.3 | Very high | 146 Ų | 146 | 101.8 Ų | 101.8 | 57% | 0.573 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.6 | -50.1 | 176.4 | -80.7 | -64.1 | 0 | 0 | 0 | 111.3 | F154 C155 T160 T161 F162 | F154-Y158 HydrophobicContact CB-CD2 4.47Å; F154-Y158 HydrophobicContact CB-CE2 4.38Å; F154-Y158 WeakPolarHBondContact O-CD2 3.45Å; F154-Y158 PolarHBondContact O-N 3.05Å; C155-Y158 PolarHBondContact O-N 3.23Å; Y158-T160 VanDerWaalsContact C-N 3.33Å; Y158-T160 PolarHBondContact O-N 3.22Å; Y158-T161 PolarHBondContact O-N 2.9Å; Y158-F162 AromaticContact CD1-CE2 3.99Å; Y158-F162 HydrophobicContact CD1-CE2 3.99Å; Y158-F162 WeakPolarHBondContact O-CD2 3.38Å; Y158-F162 PolarHBondContact O-N 3.42Å |
| 159 | I | 98.1 | Very high | 98.4 | Very high | 93 Ų | 93 | 99.2 Ų | 99.2 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.3 | -49.6 | 179.4 | -70.1 | 163.7 | 0 | 0 | 0 | 110.2 | C155 E156 T161 F162 Q163 | C155-I159 WeakPolarHBondContact O-CB 3.46Å; C155-I159 WeakPolarHBondContact O-CD1 3.46Å; C155-I159 WeakPolarHBondContact O-CG1 3.43Å; C155-I159 PolarHBondContact O-N 3.01Å; E156-I159 PolarHBondContact O-N 3.2Å; I159-T161 VanDerWaalsContact C-N 3.33Å; I159-T161 PolarHBondContact O-N 3.38Å; I159-F162 PolarHBondContact O-N 2.9Å; I159-Q163 HydrophobicContact CG2-CG 4.42Å; I159-Q163 WeakPolarHBondContact O-CB 3.5Å; I159-Q163 VanDerWaalsContact O-CG 3.3Å; I159-Q163 WeakPolarHBondContact O-CG 3.24Å; I159-Q163 PolarHBondContact O-N 3.4Å |
| 160 | T | 98.5 | Very high | 98.4 | Very high | 88 Ų | 88 | 100.3 Ų | 100.3 | 54% | 0.54 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 179.9 | -56 | 0 | 0 | 0 | 0 | 111.6 | E156 Q157 Y158 K164 | E156-T160 WeakPolarHBondContact O-CB 3.33Å; E156-T160 PolarHBondContact O-N 3.1Å; E156-T160 PolarHBondContact O-OG1 3.42Å; Q157-T160 PolarHBondContact O-N 3.18Å; Y158-T160 VanDerWaalsContact C-N 3.33Å; Y158-T160 PolarHBondContact O-N 3.22Å; T160-K164 WeakPolarHBondContact O-CB 3.49Å; T160-K164 PolarHBondContact O-N 3.28Å |
| 161 | T | 98.4 | Very high | 98.4 | Very high | 92 Ų | 92 | 102.5 Ų | 102.5 | 56% | 0.564 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.1 | -43.9 | 179.9 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | Q157 Y158 I159 K164 S165 | Q157-T161 VanDerWaalsContact O-CB 3.31Å; Q157-T161 WeakPolarHBondContact O-CB 3.49Å; Q157-T161 PolarHBondContact O-N 3.23Å; Q157-T161 PolarHBondContact O-OG1 3.44Å; Y158-T161 PolarHBondContact O-N 2.9Å; I159-T161 VanDerWaalsContact C-N 3.33Å; I159-T161 PolarHBondContact O-N 3.38Å; T161-K164 PolarHBondContact O-N 2.99Å; T161-S165 PolarHBondContact O-N 3.13Å |
| 162 | F | 98.5 | Very high | 98.4 | Very high | 141 Ų | 141 | 104.4 Ų | 104.4 | 62% | 0.618 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.6 | -40.8 | 178 | -76.6 | -60.1 | 0 | 0 | 0 | 112.3 | Y158 I159 K164 S165 D166 | Y158-F162 AromaticContact CD1-CE2 3.99Å; Y158-F162 HydrophobicContact CD1-CE2 3.99Å; Y158-F162 WeakPolarHBondContact O-CD2 3.38Å; Y158-F162 PolarHBondContact O-N 3.42Å; I159-F162 PolarHBondContact O-N 2.9Å; F162-K164 VanDerWaalsContact C-N 3.33Å; F162-K164 PolarHBondContact O-N 2.64Å; F162-S165 PolarHBondContact O-N 2.91Å; F162-D166 WeakPolarHBondContact O-CB 3.27Å; F162-D166 PolarHBondContact O-N 3.39Å |
| 163 | Q | 98.6 | Very high | 98.4 | Very high | 128 Ų | 128 | 104.6 Ų | 104.6 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.8 | -43.3 | 174.7 | -75.4 | 175.9 | -18.3 | 0 | 0 | 111.7 | I159 D166 M167 | I159-Q163 HydrophobicContact CG2-CG 4.42Å; I159-Q163 WeakPolarHBondContact O-CB 3.5Å; I159-Q163 VanDerWaalsContact O-CG 3.3Å; I159-Q163 WeakPolarHBondContact O-CG 3.24Å; I159-Q163 PolarHBondContact O-N 3.4Å; Q163-D166 PolarHBondContact O-N 2.92Å; Q163-M167 WeakPolarHBondContact O-CB 3.19Å; Q163-M167 PolarHBondContact O-N 2.82Å |
| 164 | K | 98.5 | Very high | 98.4 | Very high | 129 Ų | 129 | 104.3 Ų | 104.3 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.6 | -46.7 | 174.3 | -176.8 | -177.5 | 175.6 | -173.7 | 0 | 111.6 | T160 T161 F162 D166 M167 D168 | T160-K164 WeakPolarHBondContact O-CB 3.49Å; T160-K164 PolarHBondContact O-N 3.28Å; T161-K164 PolarHBondContact O-N 2.99Å; F162-K164 VanDerWaalsContact C-N 3.33Å; F162-K164 PolarHBondContact O-N 2.64Å; K164-D166 VanDerWaalsContact C-N 3.32Å; K164-D166 PolarHBondContact O-N 3.21Å; K164-M167 PolarHBondContact O-N 3.43Å; K164-D168 PolarHBondContact O-N 3.39Å |
| 165 | S | 98.7 | Very high | 98.4 | Very high | 63 Ų | 63 | 105 Ų | 105 | 44% | 0.441 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 178.1 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | T161 F162 D168 V169 | T161-S165 PolarHBondContact O-N 3.13Å; F162-S165 PolarHBondContact O-N 2.91Å; S165-D168 PolarHBondContact O-N 2.96Å; S165-V169 VanDerWaalsContact O-CG2 3.31Å; S165-V169 WeakPolarHBondContact O-CG2 3.37Å; S165-V169 PolarHBondContact O-N 3.41Å |
| 166 | D | 98.4 | Very high | 98.4 | Very high | 89 Ų | 89 | 107.3 Ų | 107.3 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 179 | -172.1 | 59.7 | 0 | 0 | 0 | 111 | F162 Q163 K164 D168 V169 Q170 | F162-D166 WeakPolarHBondContact O-CB 3.27Å; F162-D166 PolarHBondContact O-N 3.39Å; Q163-D166 PolarHBondContact O-N 2.92Å; K164-D166 VanDerWaalsContact C-N 3.32Å; K164-D166 PolarHBondContact O-N 3.21Å; D166-D168 VanDerWaalsContact C-N 3.34Å; D166-D168 PolarHBondContact O-N 3.11Å; D166-V169 PolarHBondContact O-N 3.4Å; D166-Q170 WeakPolarHBondContact O-CG 3.45Å; D166-Q170 PolarHBondContact O-N 3.48Å; D166-Q170 PolarHBondContact OD2-NE2 3.25Å |
| 167 | M | 98.5 | Very high | 98.4 | Very high | 117 Ų | 117 | 107.1 Ų | 107.1 | 58% | 0.576 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.5 | -42.4 | 173.8 | 177.2 | 174.1 | 43.3 | 0 | 0 | 112.4 | Q163 K164 V169 Q170 K171 | Q163-M167 WeakPolarHBondContact O-CB 3.19Å; Q163-M167 PolarHBondContact O-N 2.82Å; K164-M167 PolarHBondContact O-N 3.43Å; M167-V169 VanDerWaalsContact C-N 3.34Å; M167-V169 PolarHBondContact O-N 2.87Å; M167-Q170 PolarHBondContact O-N 2.96Å; M167-K171 WeakPolarHBondContact O-CB 3.46Å; M167-K171 PolarHBondContact O-N 2.78Å |
| 168 | D | 98.5 | Very high | 98.4 | Very high | 83 Ų | 83 | 108.1 Ų | 108.1 | 44% | 0.444 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64 | -39.2 | 176.4 | -72.9 | -24.5 | 0 | 0 | 0 | 111.4 | K164 S165 D166 K171 F172 | K164-D168 PolarHBondContact O-N 3.39Å; S165-D168 PolarHBondContact O-N 2.96Å; D166-D168 VanDerWaalsContact C-N 3.34Å; D166-D168 PolarHBondContact O-N 3.11Å; D168-K171 PolarHBondContact O-N 3.27Å; D168-F172 WeakPolarHBondContact O-CB 3.48Å; D168-F172 PolarHBondContact O-N 3.34Å |
| 169 | V | 98.6 | Very high | 98.4 | Very high | 71 Ų | 71 | 104.5 Ų | 104.5 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.6 | -43 | 174.9 | 168.1 | 0 | 0 | 0 | 0 | 111.6 | S165 D166 M167 F172 N173 | S165-V169 VanDerWaalsContact O-CG2 3.31Å; S165-V169 WeakPolarHBondContact O-CG2 3.37Å; S165-V169 PolarHBondContact O-N 3.41Å; D166-V169 PolarHBondContact O-N 3.4Å; M167-V169 VanDerWaalsContact C-N 3.34Å; M167-V169 PolarHBondContact O-N 2.87Å; V169-F172 PolarHBondContact O-N 3.37Å; V169-N173 PolarHBondContact O-N 3.22Å; V169-N173 PolarHBondContact O-ND2 2.66Å |
| 170 | Q | 98.6 | Very high | 98.4 | Very high | 105 Ų | 105 | 104.1 Ų | 104.1 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60 | -49.2 | 175.5 | -70.8 | 178.3 | 17.1 | 0 | 0 | 110.8 | D166 M167 F172 N173 E174 | D166-Q170 WeakPolarHBondContact O-CG 3.45Å; D166-Q170 PolarHBondContact O-N 3.48Å; D166-Q170 PolarHBondContact OD2-NE2 3.25Å; M167-Q170 PolarHBondContact O-N 2.96Å; Q170-F172 VanDerWaalsContact C-N 3.34Å; Q170-F172 PolarHBondContact O-N 2.94Å; Q170-N173 WeakPolarHBondContact O-CB 3.29Å; Q170-N173 PolarHBondContact O-N 2.89Å; Q170-N173 VanDerWaalsContact O-N 3.1Å; Q170-E174 PolarHBondContact O-N 3.42Å |
| 171 | K | 98.5 | Very high | 98.4 | Very high | 137 Ų | 137 | 103.2 Ų | 103.2 | 60% | 0.596 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.7 | -43.7 | 176.9 | -175.5 | -179.1 | 177.2 | -174.1 | 0 | 112.3 | M167 D168 N173 E174 E175 | M167-K171 WeakPolarHBondContact O-CB 3.46Å; M167-K171 PolarHBondContact O-N 2.78Å; D168-K171 PolarHBondContact O-N 3.27Å; K171-N173 VanDerWaalsContact C-N 3.32Å; K171-N173 PolarHBondContact O-N 3.03Å; K171-E174 PolarHBondContact O-N 3.32Å; K171-E175 PolarHBondContact O-N 3.33Å; K171-E175 VanDerWaalsContact O-N 3.09Å |
| 172 | F | 98.4 | Very high | 98.4 | Very high | 125 Ų | 125 | 102.3 Ų | 102.3 | 55% | 0.548 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 175.5 | 173.8 | -99.3 | 0 | 0 | 0 | 111.9 | D168 V169 Q170 E175 K176 | D168-F172 WeakPolarHBondContact O-CB 3.48Å; D168-F172 PolarHBondContact O-N 3.34Å; V169-F172 PolarHBondContact O-N 3.37Å; Q170-F172 VanDerWaalsContact C-N 3.34Å; Q170-F172 PolarHBondContact O-N 2.94Å; F172-E175 PolarHBondContact O-N 3.42Å; F172-K176 HydrophobicContact CE1-CD 4.31Å; F172-K176 VanDerWaalsContact O-CB 3.28Å; F172-K176 WeakPolarHBondContact O-CB 3.37Å; F172-K176 PolarHBondContact O-N 2.89Å |
| 173 | N | 98.4 | Very high | 98.3 | Very high | 74 Ų | 74 | 99.3 Ų | 99.3 | 40% | 0.396 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 178.4 | -80 | -34.4 | 0 | 0 | 0 | 112.6 | V169 Q170 K171 K176 E177 | V169-N173 PolarHBondContact O-N 3.22Å; V169-N173 PolarHBondContact O-ND2 2.66Å; Q170-N173 WeakPolarHBondContact O-CB 3.29Å; Q170-N173 PolarHBondContact O-N 2.89Å; Q170-N173 VanDerWaalsContact O-N 3.1Å; K171-N173 VanDerWaalsContact C-N 3.32Å; K171-N173 PolarHBondContact O-N 3.03Å; N173-K176 WeakPolarHBondContact O-CB 3.5Å; N173-K176 PolarHBondContact O-N 2.85Å; N173-K176 WeakPolarHBondContact OD1-CE 3.45Å; N173-E177 PolarHBondContact O-N 3.49Å |
| 174 | E | 98.4 | Very high | 98.3 | Very high | 106 Ų | 106 | 98.1 Ų | 98.1 | 50% | 0.495 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 174.2 | -68.6 | 177.5 | -168.1 | 0 | 0 | 112.1 | Q170 K171 E177 K178 | Q170-E174 PolarHBondContact O-N 3.42Å; K171-E174 PolarHBondContact O-N 3.32Å; E174-E177 PolarHBondContact O-N 3.1Å; E174-K178 WeakPolarHBondContact O-CG 3.47Å; E174-K178 PolarHBondContact O-N 3.47Å |
| 175 | E | 98.3 | Very high | 98.3 | Very high | 119 Ų | 119 | 99 Ų | 99 | 56% | 0.556 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.6 | -40 | 177.7 | -173.6 | 171.7 | -173 | 0 | 0 | 112 | K171 F172 K178 S179 | K171-E175 PolarHBondContact O-N 3.33Å; K171-E175 VanDerWaalsContact O-N 3.09Å; F172-E175 PolarHBondContact O-N 3.42Å; E175-K178 PolarHBondContact O-N 3.47Å; E175-S179 WeakPolarHBondContact O-CB 3.22Å; E175-S179 PolarHBondContact O-N 2.98Å; E175-S179 PolarHBondContact O-OG 3.21Å |
| 176 | K | 98.2 | Very high | 98.3 | Very high | 104 Ų | 104 | 102.7 Ų | 102.7 | 45% | 0.452 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 172.9 | -178.6 | -176.9 | 69.2 | 74.2 | 0 | 111.2 | F172 N173 S179 V180 | F172-K176 HydrophobicContact CE1-CD 4.31Å; F172-K176 VanDerWaalsContact O-CB 3.28Å; F172-K176 WeakPolarHBondContact O-CB 3.37Å; F172-K176 PolarHBondContact O-N 2.89Å; N173-K176 WeakPolarHBondContact O-CB 3.5Å; N173-K176 PolarHBondContact O-N 2.85Å; N173-K176 WeakPolarHBondContact OD1-CE 3.45Å; K176-S179 PolarHBondContact O-N 3.27Å; K176-V180 WeakPolarHBondContact O-CG2 3.3Å; K176-V180 PolarHBondContact O-N 3.42Å |
| 177 | E | 98.3 | Very high | 98.3 | Very high | 121 Ų | 121 | 103.7 Ų | 103.7 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.4 | -44.8 | 179.2 | -172.9 | -180 | 174.9 | 0 | 0 | 111.9 | N173 E174 S179 V180 N181 | N173-E177 PolarHBondContact O-N 3.49Å; E174-E177 PolarHBondContact O-N 3.1Å; E177-S179 VanDerWaalsContact C-N 3.27Å; E177-S179 PolarHBondContact O-N 3.02Å; E177-V180 PolarHBondContact O-N 3.5Å; E177-N181 WeakPolarHBondContact O-CB 3.35Å; E177-N181 PolarHBondContact O-N 3.02Å; E177-N181 PolarHBondContact O-ND2 2.88Å |
| 178 | K | 97.9 | Very high | 98.3 | Very high | 140 Ų | 140 | 103.2 Ų | 103.2 | 61% | 0.609 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -55.5 | -43.8 | 173.9 | -72.3 | 168.4 | -174.1 | 166.1 | 0 | 111.7 | E174 E175 N181 S182 | E174-K178 WeakPolarHBondContact O-CG 3.47Å; E174-K178 PolarHBondContact O-N 3.47Å; E175-K178 PolarHBondContact O-N 3.47Å; K178-N181 PolarHBondContact O-N 3.23Å; K178-S182 PolarHBondContact O-N 3.48Å |
| 179 | S | 97.9 | Very high | 98.2 | Very high | 70 Ų | 70 | 102 Ų | 102 | 49% | 0.49 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.7 | -42.9 | 179.3 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | E175 K176 E177 N181 S182 C183 | E175-S179 WeakPolarHBondContact O-CB 3.22Å; E175-S179 PolarHBondContact O-N 2.98Å; E175-S179 PolarHBondContact O-OG 3.21Å; K176-S179 PolarHBondContact O-N 3.27Å; E177-S179 VanDerWaalsContact C-N 3.27Å; E177-S179 PolarHBondContact O-N 3.02Å; S179-N181 VanDerWaalsContact C-N 3.35Å; S179-N181 PolarHBondContact O-N 3.42Å; S179-S182 PolarHBondContact O-N 2.92Å; S179-C183 WeakPolarHBondContact O-CB 3.37Å; S179-C183 PolarHBondContact O-N 3.23Å |
| 180 | V | 98.4 | Very high | 98.2 | Very high | 84 Ų | 84 | 104.5 Ų | 104.5 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 175.3 | 168.7 | 0 | 0 | 0 | 0 | 110.8 | K176 E177 S182 C183 Q184 | K176-V180 WeakPolarHBondContact O-CG2 3.3Å; K176-V180 PolarHBondContact O-N 3.42Å; E177-V180 PolarHBondContact O-N 3.5Å; V180-S182 VanDerWaalsContact C-N 3.33Å; V180-S182 PolarHBondContact O-N 2.91Å; V180-C183 PolarHBondContact O-N 3.4Å; V180-Q184 PolarHBondContact O-N 2.88Å |
| 181 | N | 98 | Very high | 98.2 | Very high | 70 Ų | 70 | 105.8 Ų | 105.8 | 37% | 0.374 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 178.1 | -72.5 | -28.9 | 0 | 0 | 0 | 112.2 | E177 K178 S179 K185 | E177-N181 WeakPolarHBondContact O-CB 3.35Å; E177-N181 PolarHBondContact O-N 3.02Å; E177-N181 PolarHBondContact O-ND2 2.88Å; K178-N181 PolarHBondContact O-N 3.23Å; S179-N181 VanDerWaalsContact C-N 3.35Å; S179-N181 PolarHBondContact O-N 3.42Å; N181-K185 WeakPolarHBondContact O-CG 3.36Å; N181-K185 PolarHBondContact O-N 3.49Å; N181-K185 VanDerWaalsContact O-N 3.17Å |
| 182 | S | 98 | Very high | 98.1 | Very high | 73 Ų | 73 | 105.5 Ų | 105.5 | 51% | 0.51 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 174.7 | -168 | 0 | 0 | 0 | 0 | 111.8 | K178 S179 V180 Q184 K185 E186 | K178-S182 PolarHBondContact O-N 3.48Å; S179-S182 PolarHBondContact O-N 2.92Å; V180-S182 VanDerWaalsContact C-N 3.33Å; V180-S182 PolarHBondContact O-N 2.91Å; S182-Q184 VanDerWaalsContact C-N 3.3Å; S182-Q184 PolarHBondContact O-N 2.97Å; S182-K185 PolarHBondContact O-N 3.1Å; S182-E186 PolarHBondContact O-N 2.97Å |
| 183 | C | 97.9 | Very high | 98.1 | Very high | 78 Ų | 78 | 103 Ų | 103 | 53% | 0.527 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60 | -40 | 178 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | S179 V180 E186 Q187 | S179-C183 WeakPolarHBondContact O-CB 3.37Å; S179-C183 PolarHBondContact O-N 3.23Å; V180-C183 PolarHBondContact O-N 3.4Å; C183-E186 PolarHBondContact O-N 3.36Å; C183-Q187 WeakPolarHBondContact O-CB 3.47Å; C183-Q187 PolarHBondContact O-N 3.37Å |
| 184 | Q | 98.4 | Very high | 98.1 | Very high | 102 Ų | 102 | 105.8 Ų | 105.8 | 48% | 0.477 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 176.3 | -174.7 | 178.6 | -2.5 | 0 | 0 | 112.2 | V180 S182 Q187 Q188 | V180-Q184 PolarHBondContact O-N 2.88Å; S182-Q184 VanDerWaalsContact C-N 3.3Å; S182-Q184 PolarHBondContact O-N 2.97Å; Q184-Q187 PolarHBondContact O-N 2.88Å; Q184-Q188 WeakPolarHBondContact O-CG 3.35Å; Q184-Q188 PolarHBondContact O-N 3.04Å |
| 185 | K | 98.1 | Very high | 98.1 | Very high | 149 Ų | 149 | 103.9 Ų | 103.9 | 65% | 0.648 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.4 | -44.8 | 175.9 | -72.8 | 176.1 | -178.9 | 179.4 | 0 | 111.4 | N181 S182 Q187 Q188 A189 | N181-K185 WeakPolarHBondContact O-CG 3.36Å; N181-K185 PolarHBondContact O-N 3.49Å; N181-K185 VanDerWaalsContact O-N 3.17Å; S182-K185 PolarHBondContact O-N 3.1Å; K185-Q187 VanDerWaalsContact C-N 3.34Å; K185-Q187 PolarHBondContact O-N 3.06Å; K185-Q188 PolarHBondContact O-N 2.76Å; K185-A189 PolarHBondContact O-N 3.13Å |
| 186 | E | 98 | Very high | 98 | Very high | 140 Ų | 140 | 101.3 Ų | 101.3 | 65% | 0.654 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.8 | -42.5 | 176.7 | -172.4 | 176 | -179.6 | 0 | 0 | 111.6 | S182 C183 Q188 A189 L190 | S182-E186 PolarHBondContact O-N 2.97Å; C183-E186 PolarHBondContact O-N 3.36Å; E186-Q188 VanDerWaalsContact C-N 3.3Å; E186-Q188 PolarHBondContact O-N 3.5Å; E186-A189 PolarHBondContact O-N 2.9Å; E186-L190 WeakPolarHBondContact O-CB 3.37Å; E186-L190 PolarHBondContact O-N 2.94Å |
| 187 | Q | 98.4 | Very high | 98 | Very high | 110 Ų | 110 | 102.7 Ų | 102.7 | 51% | 0.514 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 175.5 | -170.5 | -172.7 | 71.5 | 0 | 0 | 112.1 | C183 Q184 K185 K191 | C183-Q187 WeakPolarHBondContact O-CB 3.47Å; C183-Q187 PolarHBondContact O-N 3.37Å; Q184-Q187 PolarHBondContact O-N 2.88Å; K185-Q187 VanDerWaalsContact C-N 3.34Å; K185-Q187 PolarHBondContact O-N 3.06Å; Q187-K191 WeakPolarHBondContact O-CG 3.44Å; Q187-K191 PolarHBondContact O-N 3.47Å; Q187-K191 VanDerWaalsContact O-N 3.13Å |
| 188 | Q | 98.2 | Very high | 98 | Very high | 106 Ų | 106 | 100.8 Ų | 100.8 | 50% | 0.495 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.8 | -45.6 | 175.6 | -72.1 | 179.7 | -2.1 | 0 | 0 | 111.8 | Q184 K185 E186 L190 K191 L192 | Q184-Q188 WeakPolarHBondContact O-CG 3.35Å; Q184-Q188 PolarHBondContact O-N 3.04Å; K185-Q188 PolarHBondContact O-N 2.76Å; E186-Q188 VanDerWaalsContact C-N 3.3Å; E186-Q188 PolarHBondContact O-N 3.5Å; Q188-L190 VanDerWaalsContact C-N 3.32Å; Q188-L190 PolarHBondContact O-N 2.91Å; Q188-K191 PolarHBondContact O-N 3.19Å; Q188-L192 WeakPolarHBondContact O-CG 3.34Å; Q188-L192 PolarHBondContact O-N 3.45Å; Q188-L192 VanDerWaalsContact O-N 3.08Å |
| 189 | A | 98.1 | Very high | 97.9 | Very high | 57 Ų | 57 | 100.2 Ų | 100.2 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K185 E186 K191 L192 S193 | K185-A189 PolarHBondContact O-N 3.13Å; E186-A189 PolarHBondContact O-N 2.9Å; A189-K191 PolarHBondContact O-N 3.45Å; A189-L192 PolarHBondContact O-N 3.41Å; A189-S193 PolarHBondContact O-N 2.81Å |
| 190 | L | 98.2 | Very high | 98 | Very high | 125 Ų | 125 | 101 Ų | 101 | 65% | 0.654 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.8 | -41.4 | 177.6 | -174.2 | 66.6 | 0 | 0 | 0 | 112.3 | E186 Q188 S193 K194 | E186-L190 WeakPolarHBondContact O-CB 3.37Å; E186-L190 PolarHBondContact O-N 2.94Å; Q188-L190 VanDerWaalsContact C-N 3.32Å; Q188-L190 PolarHBondContact O-N 2.91Å; L190-S193 PolarHBondContact O-N 2.96Å; L190-K194 WeakPolarHBondContact O-CB 3.44Å; L190-K194 PolarHBondContact O-N 3.27Å |
| 191 | K | 97.9 | Very high | 97.9 | Very high | 132 Ų | 132 | 101 Ų | 101 | 57% | 0.574 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61 | -44.7 | 175.5 | -76.1 | 172.4 | -179.5 | 172 | 0 | 111.6 | Q187 Q188 A189 K194 C195 | Q187-K191 WeakPolarHBondContact O-CG 3.44Å; Q187-K191 PolarHBondContact O-N 3.47Å; Q187-K191 VanDerWaalsContact O-N 3.13Å; Q188-K191 PolarHBondContact O-N 3.19Å; A189-K191 PolarHBondContact O-N 3.45Å; K191-K194 PolarHBondContact O-N 3.02Å; K191-C195 PolarHBondContact O-N 3.31Å |
| 192 | L | 97.4 | Very high | 97.9 | Very high | 131 Ų | 131 | 102.8 Ų | 102.8 | 69% | 0.686 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64 | -45.9 | 177.6 | -70.1 | 173.6 | 0 | 0 | 0 | 111.6 | Q188 A189 K194 C195 S196 | Q188-L192 WeakPolarHBondContact O-CG 3.34Å; Q188-L192 PolarHBondContact O-N 3.45Å; Q188-L192 VanDerWaalsContact O-N 3.08Å; A189-L192 PolarHBondContact O-N 3.41Å; L192-K194 VanDerWaalsContact C-N 3.33Å; L192-K194 PolarHBondContact O-N 2.89Å; L192-C195 PolarHBondContact O-N 3.41Å; L192-S196 PolarHBondContact O-N 3.21Å |
| 193 | S | 98 | Very high | 97.9 | Very high | 72 Ų | 72 | 101.9 Ų | 101.9 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.8 | -44 | 176.7 | -172.5 | 0 | 0 | 0 | 0 | 111.8 | A189 L190 C195 S196 Q197 | A189-S193 PolarHBondContact O-N 2.81Å; L190-S193 PolarHBondContact O-N 2.96Å; S193-C195 PolarHBondContact O-N 2.89Å; S193-S196 PolarHBondContact O-N 2.86Å; S193-Q197 WeakPolarHBondContact O-CB 3.32Å; S193-Q197 PolarHBondContact O-N 2.93Å |
| 194 | K | 98 | Very high | 97.9 | Very high | 133 Ų | 133 | 102.1 Ų | 102.1 | 58% | 0.578 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.1 | -39.9 | 177.7 | -173.6 | 175.9 | -178.7 | 177.7 | 0 | 112 | L190 K191 L192 Q197 N198 | L190-K194 WeakPolarHBondContact O-CB 3.44Å; L190-K194 PolarHBondContact O-N 3.27Å; K191-K194 PolarHBondContact O-N 3.02Å; L192-K194 VanDerWaalsContact C-N 3.33Å; L192-K194 PolarHBondContact O-N 2.89Å; K194-Q197 PolarHBondContact O-N 2.97Å; K194-N198 WeakPolarHBondContact O-CB 3.39Å; K194-N198 PolarHBondContact O-N 3.5Å; K194-N198 PolarHBondContact O-ND2 3.25Å |
| 195 | C | 97.8 | Very high | 97.9 | Very high | 66 Ų | 66 | 102.2 Ų | 102.2 | 45% | 0.446 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 176.1 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | K191 L192 S193 Q197 N198 Q199 | K191-C195 PolarHBondContact O-N 3.31Å; L192-C195 PolarHBondContact O-N 3.41Å; S193-C195 PolarHBondContact O-N 2.89Å; C195-Q197 PolarHBondContact O-N 3.43Å; C195-N198 PolarHBondContact O-N 3.37Å; C195-Q199 WeakPolarHBondContact O-CG 3.41Å; C195-Q199 PolarHBondContact O-N 3.17Å |
| 196 | S | 96.7 | Very high | 97.9 | Very high | 65 Ų | 65 | 101.8 Ų | 101.8 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 177.1 | 177.5 | 0 | 0 | 0 | 0 | 112.3 | L192 S193 N198 Q199 T200 | L192-S196 PolarHBondContact O-N 3.21Å; S193-S196 PolarHBondContact O-N 2.86Å; S196-N198 VanDerWaalsContact C-N 3.34Å; S196-N198 PolarHBondContact O-N 3.46Å; S196-Q199 PolarHBondContact O-N 3.34Å; S196-T200 PolarHBondContact O-N 3.36Å; S196-T200 PolarHBondContact O-OG1 2.9Å; S196-T200 VanDerWaalsContact O-OG1 3.13Å |
| 197 | Q | 98 | Very high | 97.8 | Very high | 133 Ų | 133 | 101.4 Ų | 101.4 | 62% | 0.621 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.8 | -42.5 | 176.4 | -173.5 | 178.7 | 12.5 | 0 | 0 | 111.9 | S193 K194 C195 T200 L201 | S193-Q197 WeakPolarHBondContact O-CB 3.32Å; S193-Q197 PolarHBondContact O-N 2.93Å; K194-Q197 PolarHBondContact O-N 2.97Å; C195-Q197 PolarHBondContact O-N 3.43Å; Q197-T200 PolarHBondContact O-N 2.91Å; Q197-L201 WeakPolarHBondContact O-CB 3.31Å; Q197-L201 PolarHBondContact O-N 2.94Å |
| 198 | N | 98.2 | Very high | 97.8 | Very high | 81 Ų | 81 | 101.8 Ų | 101.8 | 43% | 0.433 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 176.5 | -74 | -12.8 | 0 | 0 | 0 | 111.7 | K194 C195 S196 L201 E202 | K194-N198 WeakPolarHBondContact O-CB 3.39Å; K194-N198 PolarHBondContact O-N 3.5Å; K194-N198 PolarHBondContact O-ND2 3.25Å; C195-N198 PolarHBondContact O-N 3.37Å; S196-N198 VanDerWaalsContact C-N 3.34Å; S196-N198 PolarHBondContact O-N 3.46Å; N198-L201 PolarHBondContact O-N 2.97Å; N198-E202 WeakPolarHBondContact O-CG 3.29Å; N198-E202 PolarHBondContact O-N 2.62Å |
| 199 | Q | 97.2 | Very high | 97.7 | Very high | 128 Ų | 128 | 103.5 Ų | 103.5 | 60% | 0.598 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61 | -44.7 | 175.9 | -73.1 | 173.4 | -24.6 | 0 | 0 | 111.9 | C195 S196 L201 E202 A203 | C195-Q199 WeakPolarHBondContact O-CG 3.41Å; C195-Q199 PolarHBondContact O-N 3.17Å; S196-Q199 PolarHBondContact O-N 3.34Å; Q199-L201 VanDerWaalsContact C-N 3.31Å; Q199-L201 PolarHBondContact O-N 3.37Å; Q199-E202 PolarHBondContact O-N 3.48Å; Q199-A203 PolarHBondContact O-N 2.86Å |
| 200 | T | 98 | Very high | 97.6 | Very high | 85 Ų | 85 | 107.6 Ų | 107.6 | 52% | 0.521 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -60.7 | -41.9 | 175.3 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | S196 Q197 A203 V204 | S196-T200 PolarHBondContact O-N 3.36Å; S196-T200 PolarHBondContact O-OG1 2.9Å; S196-T200 VanDerWaalsContact O-OG1 3.13Å; Q197-T200 PolarHBondContact O-N 2.91Å; T200-A203 PolarHBondContact O-N 3.13Å; T200-V204 WeakPolarHBondContact O-CG2 3.18Å; T200-V204 PolarHBondContact O-N 3.48Å |
| 201 | L | 97.8 | Very high | 97.5 | Very high | 86 Ų | 86 | 104.6 Ų | 104.6 | 45% | 0.45 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 177.8 | -179.1 | 62.6 | 0 | 0 | 0 | 112.2 | Q197 N198 Q199 V204 K205 | Q197-L201 WeakPolarHBondContact O-CB 3.31Å; Q197-L201 PolarHBondContact O-N 2.94Å; N198-L201 PolarHBondContact O-N 2.97Å; Q199-L201 VanDerWaalsContact C-N 3.31Å; Q199-L201 PolarHBondContact O-N 3.37Å; L201-V204 PolarHBondContact O-N 3.46Å; L201-K205 WeakPolarHBondContact O-CG 3.15Å; L201-K205 PolarHBondContact O-N 2.76Å |
| 202 | E | 98 | Very high | 97.3 | Very high | 107 Ų | 107 | 101.9 Ų | 101.9 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 176.2 | -69.4 | -56.1 | 120.6 | 0 | 0 | 111.8 | N198 Q199 V204 K205 E206 | N198-E202 WeakPolarHBondContact O-CG 3.29Å; N198-E202 PolarHBondContact O-N 2.62Å; Q199-E202 PolarHBondContact O-N 3.48Å; E202-V204 VanDerWaalsContact C-N 3.31Å; E202-V204 PolarHBondContact O-N 2.91Å; E202-K205 WeakPolarHBondContact O-CB 3.39Å; E202-K205 PolarHBondContact O-N 3.39Å; E202-K205 IonicContact OE1-NZ 2.74Å; E202-K205 PolarHBondContact OE1-NZ 2.93Å; E202-E206 PolarHBondContact O-N 3.22Å |
| 203 | A | 97.8 | Very high | 97.2 | Very high | 53 Ų | 53 | 101.2 Ų | 101.2 | 44% | 0.438 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.8 | -38.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q199 T200 M207 | Q199-A203 PolarHBondContact O-N 2.86Å; T200-A203 PolarHBondContact O-N 3.13Å; A203-M207 WeakPolarHBondContact O-CB 3.42Å; A203-M207 PolarHBondContact O-N 3.19Å; A203-M207 VanDerWaalsContact O-N 3.09Å |
| 204 | V | 98.2 | Very high | 97 | Very high | 84 Ų | 84 | 101.6 Ų | 101.6 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 175 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | T200 L201 E202 M207 H208 | T200-V204 WeakPolarHBondContact O-CG2 3.18Å; T200-V204 PolarHBondContact O-N 3.48Å; L201-V204 PolarHBondContact O-N 3.46Å; E202-V204 VanDerWaalsContact C-N 3.31Å; E202-V204 PolarHBondContact O-N 2.91Å; V204-M207 PolarHBondContact O-N 3.19Å; V204-H208 WeakPolarHBondContact O-CB 3.44Å; V204-H208 PolarHBondContact O-N 3.29Å |
| 205 | K | 97.8 | Very high | 96.8 | Very high | 104 Ų | 104 | 100.6 Ų | 100.6 | 45% | 0.452 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 176.3 | -73.3 | 174.3 | -176.1 | 170.6 | 0 | 111.7 | L201 E202 M207 H208 E209 | L201-K205 WeakPolarHBondContact O-CG 3.15Å; L201-K205 PolarHBondContact O-N 2.76Å; E202-K205 WeakPolarHBondContact O-CB 3.39Å; E202-K205 PolarHBondContact O-N 3.39Å; E202-K205 IonicContact OE1-NZ 2.74Å; E202-K205 PolarHBondContact OE1-NZ 2.93Å; K205-M207 VanDerWaalsContact C-N 3.32Å; K205-M207 PolarHBondContact O-N 2.8Å; K205-H208 PolarHBondContact O-N 3.44Å; K205-E209 PolarHBondContact O-N 3.4Å |
| 206 | E | 97.7 | Very high | 96.4 | Very high | 140 Ų | 140 | 103.2 Ų | 103.2 | 65% | 0.654 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.8 | -42.2 | 178.6 | -169.9 | -176 | 174.5 | 0 | 0 | 111.4 | E202 H208 E209 K210 | E202-E206 PolarHBondContact O-N 3.22Å; E206-H208 PolarHBondContact O-N 3.28Å; E206-E209 PolarHBondContact O-N 2.93Å; E206-K210 WeakPolarHBondContact O-CB 3.49Å; E206-K210 PolarHBondContact O-N 3.45Å |
| 207 | M | 97.3 | Very high | 96.1 | Very high | 131 Ų | 131 | 104.2 Ų | 104.2 | 65% | 0.645 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.7 | -41.1 | 175.4 | -171.2 | -172.4 | -57.7 | 0 | 0 | 112.4 | A203 V204 K205 S211 | A203-M207 WeakPolarHBondContact O-CB 3.42Å; A203-M207 PolarHBondContact O-N 3.19Å; A203-M207 VanDerWaalsContact O-N 3.09Å; V204-M207 PolarHBondContact O-N 3.19Å; K205-M207 VanDerWaalsContact C-N 3.32Å; K205-M207 PolarHBondContact O-N 2.8Å; M207-S211 WeakPolarHBondContact O-CB 3.29Å; M207-S211 PolarHBondContact O-N 2.73Å; M207-S211 PolarHBondContact O-OG 3.16Å |
| 208 | H | 97.4 | Very high | 95.5 | Very high | 119 Ų | 119 | 103 Ų | 103 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66 | -46.1 | 176.9 | 175.6 | -92.3 | 0 | 0 | 0 | 111.6 | V204 K205 E206 K210 S211 M212 | V204-H208 WeakPolarHBondContact O-CB 3.44Å; V204-H208 PolarHBondContact O-N 3.29Å; K205-H208 PolarHBondContact O-N 3.44Å; E206-H208 PolarHBondContact O-N 3.28Å; H208-K210 PolarHBondContact O-N 2.99Å; H208-S211 WeakPolarHBondContact O-CB 3.29Å; H208-S211 PolarHBondContact O-N 2.93Å; H208-S211 VanDerWaalsContact O-N 3.15Å; H208-M212 WeakPolarHBondContact O-CG 3.27Å; H208-M212 PolarHBondContact O-N 3.41Å |
| 209 | E | 96.7 | Very high | 94.6 | Very high | 141 Ų | 141 | 101.8 Ų | 101.8 | 66% | 0.659 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.6 | -47.4 | 177.6 | -174.8 | 169.7 | -166.4 | 0 | 0 | 111.4 | K205 E206 S211 M212 E213 | K205-E209 PolarHBondContact O-N 3.4Å; E206-E209 PolarHBondContact O-N 2.93Å; E209-S211 VanDerWaalsContact C-N 3.3Å; E209-S211 PolarHBondContact O-N 3.41Å; E209-M212 PolarHBondContact O-N 2.9Å; E209-E213 PolarHBondContact O-N 3.14Å |
| 210 | K | 96 | Very high | 93.5 | Very high | 144 Ų | 144 | 100.7 Ų | 100.7 | 63% | 0.626 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.6 | -37.9 | 175.1 | -172 | 173.7 | -176 | 172.6 | 0 | 112.8 | E206 H208 E213 V214 | E206-K210 WeakPolarHBondContact O-CB 3.49Å; E206-K210 PolarHBondContact O-N 3.45Å; H208-K210 PolarHBondContact O-N 2.99Å; K210-E213 PolarHBondContact O-N 2.91Å; K210-V214 WeakPolarHBondContact O-CG2 3.39Å; K210-V214 PolarHBondContact O-N 3.37Å; K210-V214 VanDerWaalsContact O-N 3.09Å |
| 211 | S | 95.7 | Very high | 91.8 | Very high | 61 Ų | 61 | 105.3 Ų | 105.3 | 43% | 0.427 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 177.2 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | M207 H208 E209 V214 L215 | M207-S211 WeakPolarHBondContact O-CB 3.29Å; M207-S211 PolarHBondContact O-N 2.73Å; M207-S211 PolarHBondContact O-OG 3.16Å; H208-S211 WeakPolarHBondContact O-CB 3.29Å; H208-S211 PolarHBondContact O-N 2.93Å; H208-S211 VanDerWaalsContact O-N 3.15Å; E209-S211 VanDerWaalsContact C-N 3.3Å; E209-S211 PolarHBondContact O-N 3.41Å; S211-V214 PolarHBondContact O-N 3.12Å; S211-L215 WeakPolarHBondContact O-CG 3.47Å; S211-L215 PolarHBondContact O-N 3.43Å |
| 212 | M | 94.4 | Very high | 89.6 | Confident | 76 Ų | 76 | 111 Ų | 111 | 37% | 0.374 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.4 | -41.3 | 175.7 | -69.8 | -62 | -67.8 | 0 | 0 | 111.6 | H208 E209 V214 L215 M216 | H208-M212 WeakPolarHBondContact O-CG 3.27Å; H208-M212 PolarHBondContact O-N 3.41Å; E209-M212 PolarHBondContact O-N 2.9Å; M212-V214 PolarHBondContact O-N 2.94Å; M212-L215 PolarHBondContact O-N 3.22Å; M212-M216 HydrophobicContact CE-CE 4.24Å; M212-M216 WeakPolarHBondContact O-CB 3.45Å; M212-M216 VanDerWaalsContact O-CG 3.31Å; M212-M216 WeakPolarHBondContact O-CG 3.41Å; M212-M216 PolarHBondContact O-N 2.92Å |
| 213 | E | 94.8 | Very high | 89.1 | Confident | 116 Ų | 116 | 111.2 Ų | 111.2 | 54% | 0.542 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.3 | -45 | 175.8 | -174.6 | -179.1 | -173.2 | 0 | 0 | 111.9 | E209 K210 L215 M216 N217 | E209-E213 PolarHBondContact O-N 3.14Å; K210-E213 PolarHBondContact O-N 2.91Å; E213-L215 VanDerWaalsContact C-N 3.34Å; E213-L215 PolarHBondContact O-N 3.15Å; E213-M216 PolarHBondContact O-N 3.23Å; E213-N217 WeakPolarHBondContact O-CB 3.12Å; E213-N217 VanDerWaalsContact O-CG 3.27Å; E213-N217 PolarHBondContact O-N 3.41Å; E213-N217 PolarHBondContact O-ND2 3.16Å; E213-N217 VanDerWaalsContact O-ND2 3.17Å |
| 214 | V | 94.2 | Very high | 88.7 | Confident | 81 Ų | 81 | 114.2 Ų | 114.2 | 49% | 0.491 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.2 | -43.6 | 175.6 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | K210 S211 M212 N217 L218 | K210-V214 WeakPolarHBondContact O-CG2 3.39Å; K210-V214 PolarHBondContact O-N 3.37Å; K210-V214 VanDerWaalsContact O-N 3.09Å; S211-V214 PolarHBondContact O-N 3.12Å; M212-V214 PolarHBondContact O-N 2.94Å; V214-N217 PolarHBondContact O-N 2.95Å; V214-L218 HydrophobicContact CG1-CD1 4.07Å; V214-L218 WeakPolarHBondContact O-CD1 3.28Å; V214-L218 WeakPolarHBondContact O-CG 3.25Å; V214-L218 PolarHBondContact O-N 3.4Å |
| 215 | L | 92.1 | Very high | 88.2 | Confident | 111 Ų | 111 | 115.9 Ų | 115.9 | 58% | 0.581 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66 | -41.7 | 177.9 | -70.9 | 172.9 | 0 | 0 | 0 | 112.5 | S211 M212 E213 L218 G219 | S211-L215 WeakPolarHBondContact O-CG 3.47Å; S211-L215 PolarHBondContact O-N 3.43Å; M212-L215 PolarHBondContact O-N 3.22Å; E213-L215 VanDerWaalsContact C-N 3.34Å; E213-L215 PolarHBondContact O-N 3.15Å; L215-L218 PolarHBondContact O-N 3.15Å; L215-G219 PolarHBondContact O-N 3.36Å |
| 216 | M | 90.7 | Very high | 87.6 | Confident | 122 Ų | 122 | 116.6 Ų | 116.6 | 60% | 0.601 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.3 | -42.4 | 176.9 | -72.7 | -176.8 | -174 | 0 | 0 | 111.7 | M212 E213 L218 G219 T220 | M212-M216 HydrophobicContact CE-CE 4.24Å; M212-M216 WeakPolarHBondContact O-CB 3.45Å; M212-M216 VanDerWaalsContact O-CG 3.31Å; M212-M216 WeakPolarHBondContact O-CG 3.41Å; M212-M216 PolarHBondContact O-N 2.92Å; E213-M216 PolarHBondContact O-N 3.23Å; M216-L218 VanDerWaalsContact C-N 3.27Å; M216-L218 PolarHBondContact O-N 3.22Å; M216-G219 PolarHBondContact O-N 3.38Å; M216-T220 PolarHBondContact O-N 3.44Å; M216-T220 PolarHBondContact O-OG1 3.17Å |
| 217 | N | 90 | Very high | 87 | Confident | 86 Ų | 86 | 115.1 Ų | 115.1 | 46% | 0.46 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.2 | -21.6 | 178.6 | -71.8 | -29.7 | 0 | 0 | 0 | 113.9 | E213 V214 T220 | E213-N217 WeakPolarHBondContact O-CB 3.12Å; E213-N217 VanDerWaalsContact O-CG 3.27Å; E213-N217 PolarHBondContact O-N 3.41Å; E213-N217 PolarHBondContact O-ND2 3.16Å; E213-N217 VanDerWaalsContact O-ND2 3.17Å; V214-N217 PolarHBondContact O-N 2.95Å; N217-T220 PolarHBondContact O-OG1 3.32Å |
| 218 | L | 84.8 | Confident | 86.3 | Confident | 108 Ų | 108 | 114.1 Ų | 114.1 | 57% | 0.565 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -77.3 | -36.6 | 171.2 | -79 | 157.1 | 0 | 0 | 0 | 111.7 | V214 L215 M216 T220 | V214-L218 HydrophobicContact CG1-CD1 4.07Å; V214-L218 WeakPolarHBondContact O-CD1 3.28Å; V214-L218 WeakPolarHBondContact O-CG 3.25Å; V214-L218 PolarHBondContact O-N 3.4Å; L215-L218 PolarHBondContact O-N 3.15Å; M216-L218 VanDerWaalsContact C-N 3.27Å; M216-L218 PolarHBondContact O-N 3.22Å; L218-T220 VanDerWaalsContact C-N 3.32Å; L218-T220 PolarHBondContact O-N 3.16Å |
| 219 | G | 80 | Confident | 85.5 | Confident | 54 Ų | 54 | 113.7 Ų | 113.7 | 56% | 0.557 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.6 | -24.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L215 M216 | L215-G219 PolarHBondContact O-N 3.36Å; M216-G219 PolarHBondContact O-N 3.38Å |
| 220 | T | 74.3 | Confident | 84.6 | Confident | 106 Ų | 106 | 111.6 Ų | 111.6 | 65% | 0.65 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -8.5 | -179.1 | 53.4 | 0 | 0 | 0 | 0 | 114.7 | M216 N217 L218 | M216-T220 PolarHBondContact O-N 3.44Å; M216-T220 PolarHBondContact O-OG1 3.17Å; N217-T220 PolarHBondContact O-OG1 3.32Å; L218-T220 VanDerWaalsContact C-N 3.32Å; L218-T220 PolarHBondContact O-N 3.16Å |
| 221 | K | 61.5 | Low | 83.7 | Confident | 181 Ų | 181 | 108.9 Ų | 108.9 | 79% | 0.787 | 59% | 0.594 | S | S | * | * | trans | -90.2 | 3.4 | 178.1 | -78.9 | -176.5 | 178.1 | 178.3 | 0 | 114.3 | ||||
| 222 | N | 51.5 | Low | 82.6 | Confident | 205 Ų | 205 | 113.3 Ų | 113.3 | 100% | 1.096 | 61% | 0.61 | S | S | * | * | trans | -106.3 | 0 | 170.3 | -69.4 | -26.4 | 0 | 0 | 0 | 110 |
Retrieved 222 of 222 residues in 286.3 ms
(Link to these results)