| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.2 | Very low | 57.5 | Low | 239 Ų | 239 | 162 Ų | 162 | 100% | 1.177 | 77% | 0.767 | S | S | * | * | 0 | 113.9 | 0 | -77.3 | -160.6 | -91.6 | 0 | 0 | 108.7 | |||||
| 2 | R | 40.4 | Very low | 59 | Low | 251 Ų | 251 | 153.8 Ų | 153.8 | 95% | 0.947 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 117.4 | 170.3 | -78.8 | -177.3 | 176.7 | 166.2 | -1.3 | 107.9 | ||
| 3 | R | 38.1 | Very low | 60.4 | Low | 249 Ų | 249 | 149.4 Ų | 149.4 | 94% | 0.94 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 117.9 | 172 | -72.5 | -173.6 | 178.1 | -171.5 | 0.2 | 107.8 | ||
| 4 | M | 45.2 | Very low | 61.8 | Low | 181 Ų | 181 | 146.9 Ų | 146.9 | 89% | 0.892 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 122.5 | 169.9 | -67.6 | -86.5 | -82.5 | 0 | 0 | 107.8 | ||
| 5 | A | 57.5 | Low | 62.2 | Low | 98 Ų | 98 | 150.3 Ų | 150.3 | 81% | 0.81 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -74 | 134.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | K7 | A5-K7 PolarHBondContact O-N 3.02Š|
| 6 | L | 49.4 | Very low | 63.4 | Low | 170 Ų | 170 | 145.7 Ų | 145.7 | 89% | 0.89 | 73% | 0.726 | S | S | * | * | trans | -74.9 | 107.6 | 176.3 | -73.7 | 156.9 | 0 | 0 | 0 | 108.5 | ||||
| 7 | K | 66.7 | Low | 64.2 | Low | 143 Ų | 143 | 145.4 Ų | 145.4 | 62% | 0.622 | 72% | 0.715 | S | S | * | * | trans | -62 | 137.7 | 173.5 | -67.4 | -173.9 | 171.9 | -164.1 | 0 | 110.4 | A5 L9 | A5-K7 PolarHBondContact O-N 3.02Å; K7-L9 HydrophobicContact CB-CD1 4.06Å; K7-L9 PolarHBondContact O-N 2.91Å | ||
| 8 | K | 67.4 | Low | 65.1 | Low | 164 Ų | 164 | 143.4 Ų | 143.4 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | trans | -87.2 | 109 | 173.9 | -71 | 180 | -177.2 | 171.4 | 0 | 109.9 | ||||
| 9 | L | 76.1 | Confident | 65.5 | Low | 83 Ų | 83 | 139.8 Ų | 139.8 | 44% | 0.435 | 69% | 0.691 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.5 | 138.7 | 172.3 | -90.5 | 91.1 | 0 | 0 | 0 | 111.5 | K7 L20 D22 | K7-L9 HydrophobicContact CB-CD1 4.06Å; K7-L9 PolarHBondContact O-N 2.91Å; L9-L20 HydrophobicContact CD2-CB 4.05Å; L9-L20 HydrophobicContact CD2-CD2 3.47Å; L9-L20 VanDerWaalsContact CD2-CD2 3.47Å; L9-L20 HydrophobicContact CD2-CG 4.21Å; L9-D22 WeakPolarHBondContact CD2-OD1 3.39Å; L9-D22 WeakPolarHBondContact CG-OD1 3.45Å |
| 10 | K | 70.8 | Confident | 66.1 | Low | 128 Ų | 128 | 138.2 Ų | 138.2 | 56% | 0.557 | 68% | 0.684 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.8 | 131.1 | 165.4 | -166.5 | 165.7 | -178.6 | 167.8 | 0 | 110.1 | L21 F23 | K10-L21 PolarHBondContact N-O 2.76Å; K10-L21 VanDerWaalsContact N-O 3.1Å; K10-L21 PolarHBondContact O-N 3.2Å; K10-F23 HydrophobicContact CB-CD2 4.36Å; K10-F23 HydrophobicContact CB-CE2 3.77Å; K10-F23 HydrophobicContact CD-CE2 4.31Å |
| 11 | V | 80 | Confident | 66.1 | Low | 76 Ų | 76 | 135.8 Ų | 135.8 | 46% | 0.461 | 67% | 0.674 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.4 | 123.7 | -179.9 | -176.1 | 0 | 0 | 0 | 0 | 109 | L18 L19 L20 | V11-L18 HydrophobicContact CG1-CB 4.08Å; V11-L18 HydrophobicContact CG1-CD1 4.09Å; V11-L18 HydrophobicContact CG1-CD2 4.25Å; V11-L18 HydrophobicContact CG1-CG 4.37Å; V11-L19 WeakPolarHBondContact CA-O 3.1Å; V11-L20 HydrophobicContact CG2-CG 4.48Å |
| 12 | I | 74.7 | Confident | 67.6 | Low | 64 Ų | 64 | 128.6 Ų | 128.6 | 33% | 0.328 | 64% | 0.64 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.2 | 117.8 | 174.6 | -57.6 | 176 | 0 | 0 | 0 | 108.7 | L19 L21 | I12-L19 HydrophobicContact CB-CB 4.44Å; I12-L19 PolarHBondContact N-O 3.36Å; I12-L19 PolarHBondContact O-N 2.89Å; I12-L21 HydrophobicContact CD1-CD1 3.93Å |
| 13 | P | 77 | Confident | 68.1 | Low | 96 Ų | 96 | 123.1 Ų | 123.1 | 62% | 0.623 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.6 | 136.5 | 174.9 | 26.8 | -29.8 | 0 | 0 | 0 | 112 | L18 | P13-L18 HydrophobicContact CB-CD2 3.81Å |
| 14 | K | 80.3 | Confident | 69.2 | Low | 114 Ų | 114 | 116.2 Ų | 116.2 | 50% | 0.496 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.6 | 163.2 | 170.7 | -69.3 | -64.9 | -176 | 178.1 | 0 | 110.1 | G16 Y17 L19 | K14-G16 PolarHBondContact O-N 2.98Å; K14-Y17 CarbonylContact C-O 3.51Å; K14-Y17 WeakPolarHBondContact CA-O 3.49Å; K14-Y17 HydrophobicContact CB-CD1 4.23Å; K14-Y17 HydrophobicContact CB-CD2 4.3Å; K14-Y17 HydrophobicContact CB-CE1 3.92Å; K14-Y17 HydrophobicContact CB-CE2 4.01Å; K14-Y17 HydrophobicContact CB-CG 4.41Å; K14-Y17 HydrophobicContact CG-CE2 4.22Å; K14-Y17 PolarHBondContact N-O 3.3Å; K14-Y17 PolarHBondContact O-N 3.46Å; K14-L19 HydrophobicContact CG-CD1 4.12Å |
| 15 | E | 68.5 | Low | 69.6 | Low | 198 Ų | 198 | 114.1 Ų | 114.1 | 93% | 0.925 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | 95.3 | -179.8 | -152 | 97.8 | -144.3 | 0 | 0 | 109.9 | ||
| 16 | G | 81.5 | Confident | 69.3 | Low | 77 Ų | 77 | 118.3 Ų | 118.3 | 79% | 0.794 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.1 | 0.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | K14 | K14-G16 PolarHBondContact O-N 2.98Š|
| 17 | Y | 75.8 | Confident | 69.2 | Low | 140 Ų | 140 | 116.6 Ų | 116.6 | 55% | 0.549 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -157.6 | 161.7 | 175.2 | 63.2 | -80.1 | 0 | 0 | 0 | 113.1 | K14 L19 | K14-Y17 CarbonylContact C-O 3.51Å; K14-Y17 WeakPolarHBondContact CA-O 3.49Å; K14-Y17 HydrophobicContact CB-CD1 4.23Å; K14-Y17 HydrophobicContact CB-CD2 4.3Å; K14-Y17 HydrophobicContact CB-CE1 3.92Å; K14-Y17 HydrophobicContact CB-CE2 4.01Å; K14-Y17 HydrophobicContact CB-CG 4.41Å; K14-Y17 HydrophobicContact CG-CE2 4.22Å; K14-Y17 PolarHBondContact N-O 3.3Å; K14-Y17 PolarHBondContact O-N 3.46Å; Y17-L19 HydrophobicContact CD2-CD2 4.46Å; Y17-L19 HydrophobicContact CD2-CG 4.28Å; Y17-L19 HydrophobicContact CE2-CD1 4.28Å; Y17-L19 HydrophobicContact CE2-CD2 4.04Å; Y17-L19 HydrophobicContact CE2-CG 3.87Å |
| 18 | L | 81.9 | Confident | 67.9 | Low | 110 Ų | 110 | 117.5 Ų | 117.5 | 58% | 0.576 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.7 | 130.4 | 175.8 | -60.8 | 179.7 | 0 | 0 | 0 | 109.8 | V11 P13 | V11-L18 HydrophobicContact CG1-CB 4.08Å; V11-L18 HydrophobicContact CG1-CD1 4.09Å; V11-L18 HydrophobicContact CG1-CD2 4.25Å; V11-L18 HydrophobicContact CG1-CG 4.37Å; P13-L18 HydrophobicContact CB-CD2 3.81Å |
| 19 | L | 72.3 | Confident | 66.6 | Low | 76 Ų | 76 | 117 Ų | 117 | 40% | 0.398 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.7 | 170.2 | -74 | 167.6 | 0 | 0 | 0 | 109.4 | V11 I12 K14 Y17 | V11-L19 WeakPolarHBondContact CA-O 3.1Å; I12-L19 HydrophobicContact CB-CB 4.44Å; I12-L19 PolarHBondContact N-O 3.36Å; I12-L19 PolarHBondContact O-N 2.89Å; K14-L19 HydrophobicContact CG-CD1 4.12Å; Y17-L19 HydrophobicContact CD2-CD2 4.46Å; Y17-L19 HydrophobicContact CD2-CG 4.28Å; Y17-L19 HydrophobicContact CE2-CD1 4.28Å; Y17-L19 HydrophobicContact CE2-CD2 4.04Å; Y17-L19 HydrophobicContact CE2-CG 3.87Å |
| 20 | L | 77.2 | Confident | 64.9 | Low | 106 Ų | 106 | 120.9 Ų | 120.9 | 56% | 0.555 | 63% | 0.629 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.6 | 121.4 | 173.3 | -71.5 | 87.2 | 0 | 0 | 0 | 108.1 | L9 V11 | L9-L20 HydrophobicContact CD2-CB 4.05Å; L9-L20 HydrophobicContact CD2-CD2 3.47Å; L9-L20 VanDerWaalsContact CD2-CD2 3.47Å; L9-L20 HydrophobicContact CD2-CG 4.21Å; V11-L20 HydrophobicContact CG2-CG 4.48Å |
| 21 | L | 66.9 | Low | 63.1 | Low | 88 Ų | 88 | 124 Ų | 124 | 46% | 0.461 | 64% | 0.642 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.2 | 121.1 | 175.3 | -65.2 | 170.3 | 0 | 0 | 0 | 108.9 | K10 I12 F23 | K10-L21 PolarHBondContact N-O 2.76Å; K10-L21 VanDerWaalsContact N-O 3.1Å; K10-L21 PolarHBondContact O-N 3.2Å; I12-L21 HydrophobicContact CD1-CD1 3.93Å; L21-F23 HydrophobicContact CB-CE2 4.42Å |
| 22 | D | 72.6 | Confident | 61 | Low | 88 Ų | 88 | 125.9 Ų | 125.9 | 47% | 0.471 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.8 | 126.4 | 174.3 | -74.3 | 9.1 | 0 | 0 | 0 | 108.3 | L9 | L9-D22 WeakPolarHBondContact CD2-OD1 3.39Å; L9-D22 WeakPolarHBondContact CG-OD1 3.45Å |
| 23 | F | 50.4 | Low | 59 | Low | 137 Ų | 137 | 127.9 Ų | 127.9 | 60% | 0.601 | 67% | 0.673 | S | S | * | * | trans | -99.8 | 5.3 | -178.8 | -81.7 | -83.9 | 0 | 0 | 0 | 114.1 | K10 L21 | K10-F23 HydrophobicContact CB-CD2 4.36Å; K10-F23 HydrophobicContact CB-CE2 3.77Å; K10-F23 HydrophobicContact CD-CE2 4.31Å; L21-F23 HydrophobicContact CB-CE2 4.42Å | ||
| 24 | D | 62.2 | Low | 56.8 | Low | 104 Ų | 104 | 132 Ų | 132 | 56% | 0.556 | 68% | 0.684 | S | S | * | * | trans | -97.2 | 5.2 | -177.6 | -77 | -32 | 0 | 0 | 0 | 113.7 | E26 | D24-E26 PolarHBondContact O-N 3.47Š| ||
| 25 | D | 52.3 | Low | 54.5 | Low | 136 Ų | 136 | 135.3 Ų | 135.3 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | trans | -88.3 | 93.3 | 165.5 | -90.4 | -19.3 | 0 | 0 | 0 | 108.9 | ||||
| 26 | E | 52 | Low | 52.8 | Low | 186 Ų | 186 | 129.9 Ų | 129.9 | 87% | 0.869 | 69% | 0.69 | S | S | * | * | trans | -79.5 | 7.1 | 157.8 | -85.3 | -91.4 | 161.8 | 0 | 0 | 111.5 | D24 | D24-E26 PolarHBondContact O-N 3.47Š| ||
| 27 | D | 46.6 | Very low | 50.4 | Low | 135 Ų | 135 | 135 Ų | 135 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -110.5 | 100.6 | 174.4 | -68.9 | -44.6 | 0 | 0 | 0 | 109.6 | D29 | D27-D29 PolarHBondContact O-N 2.86Š|
| 28 | D | 39.9 | Very low | 48.6 | Very low | 161 Ų | 161 | 134 Ų | 134 | 86% | 0.861 | 71% | 0.712 | S | S | * | * | trans | -50.4 | 101.6 | 162.3 | -76.7 | -48.8 | 0 | 0 | 0 | 110 | ||||
| 29 | D | 39.8 | Very low | 46.1 | Very low | 155 Ų | 155 | 137 Ų | 137 | 83% | 0.829 | 72% | 0.723 | S | S | * | * | trans | -163 | 94.7 | 146.3 | -91.7 | -29.5 | 0 | 0 | 0 | 109 | D27 K31 | D27-D29 PolarHBondContact O-N 2.86Å; D29-K31 PolarHBondContact O-N 3.23Å | ||
| 30 | I | 39.5 | Very low | 44 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 84% | 0.841 | 74% | 0.736 | S | S | * | * | trans | -62.6 | 88.4 | 169.4 | -63.1 | 167 | 0 | 0 | 0 | 107.7 | V32 | I30-V32 HydrophobicContact CG2-CG2 3.87Å; I30-V32 PolarHBondContact O-N 3.43Å; I30-V32 VanDerWaalsContact O-N 3.11Å | ||
| 31 | K | 33.1 | Very low | 41.8 | Very low | 194 Ų | 194 | 142.4 Ų | 142.4 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | trans | -82.6 | 87.8 | 172.9 | -132.7 | -178.9 | -172.8 | -174.6 | 0 | 108.7 | D29 S33 | D29-K31 PolarHBondContact O-N 3.23Å; K31-S33 VanDerWaalsContact C-N 3.26Å; K31-S33 PolarHBondContact O-N 3.38Å | ||
| 32 | V | 37.4 | Very low | 40.1 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | trans | -67.1 | 90.2 | 163 | -176.7 | 0 | 0 | 0 | 0 | 107.4 | I30 E34 | I30-V32 HydrophobicContact CG2-CG2 3.87Å; I30-V32 PolarHBondContact O-N 3.43Å; I30-V32 VanDerWaalsContact O-N 3.11Å; V32-E34 VanDerWaalsContact C-N 3.31Å; V32-E34 HydrophobicContact CG1-CB 4.32Å; V32-E34 PolarHBondContact O-N 2.89Å; V32-E34 VanDerWaalsContact O-N 3.13Å | ||
| 33 | S | 31.7 | Very low | 38.3 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -79.4 | 86.7 | 165.9 | 56.1 | 0 | 0 | 0 | 0 | 108.6 | K31 E35 | K31-S33 VanDerWaalsContact C-N 3.26Å; K31-S33 PolarHBondContact O-N 3.38Å; S33-E35 PolarHBondContact O-N 3.24Å | ||
| 34 | E | 32.1 | Very low | 37.3 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -87.3 | 81.9 | 163.4 | -171.5 | 178.4 | -165.3 | 0 | 0 | 107.3 | V32 | V32-E34 VanDerWaalsContact C-N 3.31Å; V32-E34 HydrophobicContact CG1-CB 4.32Å; V32-E34 PolarHBondContact O-N 2.89Å; V32-E34 VanDerWaalsContact O-N 3.13Å | ||
| 35 | E | 31.7 | Very low | 36 | Very low | 184 Ų | 184 | 149.9 Ų | 149.9 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -116.1 | 89.9 | 174 | -148.4 | 171.3 | -167.2 | 0 | 0 | 110.3 | S33 | S33-E35 PolarHBondContact O-N 3.24Š| ||
| 36 | A | 32.9 | Very low | 35.1 | Very low | 84 Ų | 84 | 150 Ų | 150 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | trans | 46.3 | 99 | 142.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | S38 | A36-S38 PolarHBondContact O-N 2.91Å; A36-S38 VanDerWaalsContact O-N 3.12Å | ||
| 37 | L | 29.6 | Very low | 34.2 | Very low | 183 Ų | 183 | 150.7 Ų | 150.7 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | trans | -58.2 | 105.1 | 146.3 | -71 | 167.8 | 0 | 0 | 0 | 108.8 | ||||
| 38 | S | 37.8 | Very low | 33.7 | Very low | 120 Ų | 120 | 152.2 Ų | 152.2 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -77.8 | 136.7 | 162.8 | 57.1 | 0 | 0 | 0 | 0 | 110.2 | A36 | A36-S38 PolarHBondContact O-N 2.91Å; A36-S38 VanDerWaalsContact O-N 3.12Å | ||
| 39 | E | 29.3 | Very low | 33.2 | Very low | 173 Ų | 173 | 151.9 Ų | 151.9 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | trans | -89.9 | 169.2 | -163.4 | -166.5 | 176.9 | 164 | 0 | 0 | 111.6 | ||||
| 40 | V | 29.1 | Very low | 33.1 | Very low | 112 Ų | 112 | 152.5 Ų | 152.5 | 68% | 0.679 | 80% | 0.804 | S | S | * | * | trans | 83.4 | 121 | 161.4 | -161.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 41 | K | 30.9 | Very low | 32.6 | Very low | 183 Ų | 183 | 150.5 Ų | 150.5 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | cis | -170.4 | 140.5 | 32.2 | -140 | 165.3 | -171.7 | 170.7 | 0 | 111.1 | ||||
| 42 | S | 30.7 | Very low | 32.6 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | 48.9 | 120 | 139.5 | 60.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 43 | Q | 35.7 | Very low | 32.7 | Very low | 188 Ų | 188 | 146.6 Ų | 146.6 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | -158.7 | 132.7 | 112.8 | -159 | 155 | 10.9 | 0 | 0 | 111.4 | |||||
| 44 | A | 29.1 | Very low | 32.5 | Very low | 82 Ų | 82 | 149 Ų | 149 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -59.1 | 141.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 45 | F | 33.8 | Very low | 32.7 | Very low | 201 Ų | 201 | 145 Ų | 145 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | -134.9 | 139.3 | 150.8 | -103.6 | -80.9 | 0 | 0 | 0 | 110.7 | ||||
| 46 | D | 33.5 | Very low | 32.6 | Very low | 139 Ų | 139 | 143.7 Ų | 143.7 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | -73 | 154.2 | -155.2 | -74.8 | -63.2 | 0 | 0 | 0 | 115.4 | N48 | D46-N48 PolarHBondContact O-N 3.12Š| ||
| 47 | K | 34 | Very low | 33 | Very low | 199 Ų | 199 | 144.2 Ų | 144.2 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | trans | -38.6 | 126.1 | 160.3 | -60.6 | 164.5 | -179.7 | 175 | 0 | 110.1 | ||||
| 48 | N | 35.4 | Very low | 33 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | -129.6 | 121.9 | 147.3 | -134.6 | 7.4 | 0 | 0 | 0 | 110.9 | D46 | D46-N48 PolarHBondContact O-N 3.12Š| ||
| 49 | E | 30.3 | Very low | 33.2 | Very low | 155 Ų | 155 | 145.7 Ų | 145.7 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | trans | -74.4 | 125.2 | 178.4 | -175 | 172.2 | -163.6 | 0 | 0 | 107.9 | ||||
| 50 | N | 36.8 | Very low | 33.8 | Very low | 167 Ų | 167 | 144.5 Ų | 144.5 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | -153.7 | 140.8 | 147.6 | -119.5 | -21.4 | 0 | 0 | 0 | 112.3 | ||||
| 51 | I | 30.2 | Very low | 34.4 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 63% | 0.626 | 79% | 0.79 | S | S | * | * | trans | -101 | 142 | -153.6 | -70.4 | 161.2 | 0 | 0 | 0 | 109.7 | ||||
| 52 | S | 32 | Very low | 34.4 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | 70.4 | 160.9 | 155.2 | -72.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 53 | P | 40.6 | Very low | 34.3 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | cis | -124.2 | 165.8 | 3.6 | 34.3 | -16 | 0 | 0 | 0 | 116.3 | ||||
| 54 | Q | 27.3 | Very low | 34.2 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | -49.7 | 135.5 | 166.7 | -69.2 | 161.4 | -97.9 | 0 | 0 | 113 | ||||
| 55 | A | 36.7 | Very low | 34.7 | Very low | 99 Ų | 99 | 147.2 Ų | 147.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -125.3 | 109.8 | 148.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 56 | E | 29.4 | Very low | 34.6 | Very low | 156 Ų | 156 | 146 Ų | 146 | 73% | 0.729 | 80% | 0.801 | S | S | * | * | trans | -70.7 | 125.5 | 172.8 | -67.4 | 168.5 | 176.2 | 0 | 0 | 108 | ||||
| 57 | A | 40.1 | Very low | 34.6 | Very low | 95 Ų | 95 | 144 Ų | 144 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -136.4 | 87.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | E59 | A57-E59 PolarHBondContact O-N 3.47Š| ||
| 58 | D | 30.7 | Very low | 34.5 | Very low | 152 Ų | 152 | 141.4 Ų | 141.4 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -65.6 | 111.6 | 162.8 | -71.8 | -39.2 | 0 | 0 | 0 | 107.6 | ||||
| 59 | E | 42.5 | Very low | 34.3 | Very low | 181 Ų | 181 | 140.3 Ų | 140.3 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -121.8 | 90.9 | 155.5 | -72.3 | -163.9 | -174.5 | 0 | 0 | 108.1 | A57 M61 | A57-E59 PolarHBondContact O-N 3.47Å; E59-M61 PolarHBondContact O-N 3.18Å | ||
| 60 | D | 40.6 | Very low | 34.2 | Very low | 148 Ų | 148 | 138.9 Ų | 138.9 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -61.9 | 109.5 | 158.5 | 172.9 | 32.4 | 0 | 0 | 0 | 109.3 | ||||
| 61 | M | 41.6 | Very low | 34.6 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | trans | -136 | 89.5 | 163.6 | -68.4 | -62.3 | -83.5 | 0 | 0 | 108.4 | E59 | E59-M61 PolarHBondContact O-N 3.18Š| ||
| 62 | G | 30.9 | Very low | 34.8 | Very low | 63 Ų | 63 | 139.4 Ų | 139.4 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | 64.1 | 106.7 | 117.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 63 | D | 29.9 | Very low | 35 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -18.2 | 140.4 | 148.8 | -61.6 | -45.8 | 0 | 0 | 0 | 116 | ||||
| 64 | E | 33.9 | Very low | 34.8 | Very low | 181 Ų | 181 | 144.5 Ų | 144.5 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | 147.5 | 96.2 | 133.9 | -170.1 | 168.2 | -152.2 | 0 | 0 | 111.3 | ||||
| 65 | V | 37.8 | Very low | 34.8 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 87% | 0.873 | 79% | 0.79 | S | S | * | * | trans | -152.9 | 66.6 | 143.1 | -84 | 0 | 0 | 0 | 0 | 108 | S67 | V65-S67 VanDerWaalsContact C-N 3.28Å; V65-S67 PolarHBondContact O-N 2.86Å | ||
| 66 | D | 32.5 | Very low | 35.5 | Very low | 174 Ų | 174 | 145.4 Ų | 145.4 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | trans | -81.7 | 84.1 | 159.9 | -129.9 | 1.4 | 0 | 0 | 0 | 106.6 | ||||
| 67 | S | 33.8 | Very low | 35.9 | Very low | 98 Ų | 98 | 144.1 Ų | 144.1 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | -164.5 | 119.7 | 166.5 | -143.8 | 0 | 0 | 0 | 0 | 110.2 | V65 | V65-S67 VanDerWaalsContact C-N 3.28Å; V65-S67 PolarHBondContact O-N 2.86Å | ||
| 68 | I | 31.4 | Very low | 35.6 | Very low | 145 Ų | 145 | 144 Ų | 144 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | 142.3 | 125.9 | 127.4 | -74 | 160.4 | 0 | 0 | 0 | 113.1 | |||||
| 69 | L | 31.8 | Very low | 35.6 | Very low | 144 Ų | 144 | 145.5 Ų | 145.5 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | 83.2 | 99.5 | 158.3 | -103.8 | 95.9 | 0 | 0 | 0 | 117.5 | ||||
| 70 | D | 28.3 | Very low | 35 | Very low | 125 Ų | 125 | 140 Ų | 140 | 67% | 0.668 | 79% | 0.79 | S | S | * | * | 88.6 | 109 | 81 | -101.4 | -19.5 | 0 | 0 | 0 | 110.4 | |||||
| 71 | K | 44.7 | Very low | 34.8 | Very low | 200 Ų | 200 | 142.3 Ų | 142.3 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | 47.2 | 76.5 | 79.3 | -71.7 | -166.9 | -179.2 | 178.9 | 0 | 114.3 | |||||
| 72 | S | 33.7 | Very low | 34.3 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -171.8 | 124.1 | 152.1 | 52.4 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 73 | E | 36 | Very low | 34.7 | Very low | 163 Ų | 163 | 147.2 Ų | 147.2 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | cis | -155.5 | 121.3 | 30.8 | -92.1 | 141.6 | -178.3 | 0 | 0 | 108.2 | ||||
| 74 | L | 36.7 | Very low | 34.9 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | -68.9 | 114.6 | 146.4 | -105.5 | 140.4 | 0 | 0 | 0 | 106.5 | ||||
| 75 | N | 28.6 | Very low | 35.2 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -145.3 | 102.8 | 161 | -91.8 | -35.1 | 0 | 0 | 0 | 110.1 | ||||
| 76 | N | 50.9 | Low | 35.2 | Very low | 143 Ų | 143 | 143.6 Ų | 143.6 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | -7.6 | 157.7 | 141.2 | -64.8 | -31.4 | 0 | 0 | 0 | 116.8 | ||||
| 77 | P | 38.1 | Very low | 35.5 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | cis | -146.3 | -171.9 | 45 | 40.6 | -17.7 | 0 | 0 | 0 | 112.6 | ||||
| 78 | A | 33.3 | Very low | 35.4 | Very low | 93 Ų | 93 | 144.1 Ų | 144.1 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | cis | -155.9 | 126.8 | 19.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 79 | I | 31.4 | Very low | 36.1 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 94% | 0.938 | 79% | 0.786 | S | S | * | * | trans | -91.3 | 131.7 | 168 | -77.4 | 171.1 | 0 | 0 | 0 | 107.3 | ||||
| 80 | G | 29.4 | Very low | 36.6 | Very low | 64 Ų | 64 | 146 Ų | 146 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | trans | -163.8 | 114.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 81 | K | 36 | Very low | 37.5 | Very low | 198 Ų | 198 | 142.6 Ų | 142.6 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | 88.5 | 99.5 | 154.3 | -54.9 | -174.8 | -179.6 | -175.8 | 0 | 115.5 | ||||
| 82 | D | 30.9 | Very low | 38 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | 74.1 | 105.5 | 85.6 | -96.6 | -24.6 | 0 | 0 | 0 | 111.4 | |||||
| 83 | E | 40.1 | Very low | 39.4 | Very low | 188 Ų | 188 | 142.7 Ų | 142.7 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | 176.5 | 138.8 | 109.4 | -93.8 | 174.3 | -169.8 | 0 | 0 | 111 | |||||
| 84 | N | 33.3 | Very low | 41.2 | Very low | 152 Ų | 152 | 141 Ų | 141 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -28.5 | 136.2 | 172.4 | -87.5 | -52.2 | 0 | 0 | 0 | 116 | ||||
| 85 | I | 39.7 | Very low | 43.1 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | -162.8 | 118.9 | 112.8 | -81.8 | 137 | 0 | 0 | 0 | 106.4 | P87 | I85-P87 HydrophobicContact CG2-CG 4.4Å; I85-P87 WeakPolarHBondContact O-CD 3.45Å | |||
| 86 | S | 38.8 | Very low | 45.7 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 117.8 | 160.8 | 174.1 | 0 | 0 | 0 | 0 | 108.1 | ||
| 87 | P | 38.3 | Very low | 47.4 | Very low | 106 Ų | 106 | 135 Ų | 135 | 69% | 0.688 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 135.3 | 150.5 | 21.1 | -3.8 | 0 | 0 | 0 | 109.4 | I85 | I85-P87 HydrophobicContact CG2-CG 4.4Å; I85-P87 WeakPolarHBondContact O-CD 3.45Å |
| 88 | Q | 32.8 | Very low | 49.7 | Very low | 178 Ų | 178 | 133.8 Ų | 133.8 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 130 | 175.7 | -66.5 | 176.1 | -9.9 | 0 | 0 | 111.5 | ||
| 89 | V | 44.9 | Very low | 52.4 | Low | 127 Ų | 127 | 133.1 Ų | 133.1 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | 51.8 | 99.8 | 128.3 | -169.1 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 90 | K | 42.3 | Very low | 55.2 | Low | 200 Ų | 200 | 125.7 Ų | 125.7 | 87% | 0.87 | 69% | 0.69 | S | S | * | * | 179.4 | 102.8 | 119.2 | -100.4 | 169 | -175.9 | 178.2 | 0 | 111.2 | |||||
| 91 | G | 47.5 | Very low | 58.1 | Low | 55 Ų | 55 | 124.3 Ų | 124.3 | 57% | 0.567 | 67% | 0.671 | S | S | * | * | trans | 80.3 | 42.6 | 146.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | E93 | G91-E93 PolarHBondContact O-N 3.22Š| ||
| 92 | D | 55 | Low | 60.7 | Low | 134 Ų | 134 | 119.4 Ų | 119.4 | 72% | 0.717 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 23.2 | 162.8 | -67.3 | -33.8 | 0 | 0 | 0 | 112.7 | D94 G96 | D92-D94 VanDerWaalsContact C-N 3.32Å; D92-G96 PolarHBondContact O-N 3.42Å |
| 93 | E | 63.9 | Low | 63.7 | Low | 167 Ų | 167 | 117.6 Ų | 117.6 | 78% | 0.78 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.6 | -30.5 | 175.8 | -64.3 | -179 | -171.5 | 0 | 0 | 110.9 | G91 H97 | G91-E93 PolarHBondContact O-N 3.22Å; E93-H97 WeakPolarHBondContact O-CB 3.48Å; E93-H97 PolarHBondContact O-N 3.43Å |
| 94 | D | 72.4 | Confident | 66.2 | Low | 128 Ų | 128 | 114.1 Ų | 114.1 | 68% | 0.684 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.8 | -46 | -178.5 | -165.6 | 35 | 0 | 0 | 0 | 112.4 | D92 G96 H97 E98 | D92-D94 VanDerWaalsContact C-N 3.32Å; D94-G96 VanDerWaalsContact C-N 3.33Å; D94-G96 PolarHBondContact O-N 2.87Å; D94-H97 PolarHBondContact O-N 3.38Å; D94-E98 PolarHBondContact O-N 3.31Å |
| 95 | M | 77.4 | Confident | 69.1 | Low | 132 Ų | 132 | 113.2 Ų | 113.2 | 65% | 0.65 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64 | -38.2 | 171.3 | -79.8 | -168.3 | -169.3 | 0 | 0 | 111.7 | H97 E98 V99 | M95-H97 VanDerWaalsContact C-N 3.32Å; M95-H97 PolarHBondContact O-N 2.94Å; M95-E98 PolarHBondContact O-N 2.9Å; M95-V99 WeakPolarHBondContact O-CB 3.26Å; M95-V99 VanDerWaalsContact O-CG2 3.29Å; M95-V99 WeakPolarHBondContact O-CG2 3.37Å; M95-V99 PolarHBondContact O-N 3.38Å |
| 96 | G | 83.4 | Confident | 71.7 | Confident | 48 Ų | 48 | 108.7 Ų | 108.7 | 50% | 0.495 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -60.6 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D92 D94 G100 | D92-G96 PolarHBondContact O-N 3.42Å; D94-G96 VanDerWaalsContact C-N 3.33Å; D94-G96 PolarHBondContact O-N 2.87Å; G96-G100 PolarHBondContact O-N 2.92Å |
| 97 | H | 85.7 | Confident | 74.4 | Confident | 139 Ų | 139 | 105.4 Ų | 105.4 | 64% | 0.644 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.2 | -42.3 | 175.6 | -178.3 | -91.9 | 0 | 0 | 0 | 112.5 | E93 D94 M95 G100 S101 | E93-H97 WeakPolarHBondContact O-CB 3.48Å; E93-H97 PolarHBondContact O-N 3.43Å; D94-H97 PolarHBondContact O-N 3.38Å; M95-H97 VanDerWaalsContact C-N 3.32Å; M95-H97 PolarHBondContact O-N 2.94Å; H97-G100 PolarHBondContact O-N 2.82Å; H97-S101 WeakPolarHBondContact O-CB 3.29Å; H97-S101 PolarHBondContact O-N 2.85Å |
| 98 | E | 87.9 | Confident | 77.1 | Confident | 104 Ų | 104 | 104.7 Ų | 104.7 | 49% | 0.486 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.6 | -52.4 | 175.6 | -177.3 | 176 | -169.2 | 0 | 0 | 111.3 | D94 M95 G100 S101 M102 | D94-E98 PolarHBondContact O-N 3.31Å; M95-E98 PolarHBondContact O-N 2.9Å; E98-G100 VanDerWaalsContact C-N 3.33Å; E98-G100 PolarHBondContact O-N 3.35Å; E98-S101 PolarHBondContact O-N 3.48Å; E98-S101 PolarHBondContact O-OG 3.44Å; E98-M102 HydrophobicContact CG-CE 3.65Å; E98-M102 HydrophobicContact CG-SD 4.38Å; E98-M102 WeakPolarHBondContact O-CG 3.23Å; E98-M102 PolarHBondContact O-N 2.75Å; E98-M102 WeakPolarHBondContact OE1-CE 3.28Å |
| 99 | V | 88.5 | Confident | 80.1 | Confident | 79 Ų | 79 | 100.5 Ų | 100.5 | 48% | 0.479 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.5 | -43.2 | 177.8 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | M95 S101 M102 L103 | M95-V99 WeakPolarHBondContact O-CB 3.26Å; M95-V99 VanDerWaalsContact O-CG2 3.29Å; M95-V99 WeakPolarHBondContact O-CG2 3.37Å; M95-V99 PolarHBondContact O-N 3.38Å; V99-S101 PolarHBondContact O-N 3.34Å; V99-M102 PolarHBondContact O-N 2.9Å; V99-L103 HydrophobicContact CG1-CD1 3.94Å; V99-L103 HydrophobicContact CG1-CG 4.26Å; V99-L103 WeakPolarHBondContact O-CB 3.44Å; V99-L103 VanDerWaalsContact O-CG 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.42Å; V99-L103 PolarHBondContact O-N 2.72Å |
| 100 | G | 90.1 | Very high | 82.5 | Confident | 27 Ų | 27 | 99.4 Ų | 99.4 | 28% | 0.278 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -56.5 | -48.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | G96 H97 E98 M102 L103 D104 | G96-G100 PolarHBondContact O-N 2.92Å; H97-G100 PolarHBondContact O-N 2.82Å; E98-G100 VanDerWaalsContact C-N 3.33Å; E98-G100 PolarHBondContact O-N 3.35Å; G100-M102 VanDerWaalsContact C-N 3.33Å; G100-M102 PolarHBondContact O-N 3.48Å; G100-L103 PolarHBondContact O-N 3.47Å; G100-D104 PolarHBondContact O-N 2.98Å |
| 101 | S | 90.5 | Very high | 85.2 | Confident | 35 Ų | 35 | 97 Ų | 97 | 25% | 0.245 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -64.6 | -34.2 | 178 | 81.9 | 0 | 0 | 0 | 0 | 113.4 | H97 E98 V99 K105 | H97-S101 WeakPolarHBondContact O-CB 3.29Å; H97-S101 PolarHBondContact O-N 2.85Å; E98-S101 PolarHBondContact O-N 3.48Å; E98-S101 PolarHBondContact O-OG 3.44Å; V99-S101 PolarHBondContact O-N 3.34Å; S101-K105 WeakPolarHBondContact O-CB 3.2Å; S101-K105 WeakPolarHBondContact O-CD 3.29Å; S101-K105 VanDerWaalsContact O-CG 3.23Å; S101-K105 WeakPolarHBondContact O-CG 3.46Å; S101-K105 PolarHBondContact O-N 2.84Å; S101-K105 VanDerWaalsContact O-N 3.12Å |
| 102 | M | 90.9 | Very high | 87.5 | Confident | 95 Ų | 95 | 99.6 Ų | 99.6 | 47% | 0.468 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.7 | -39.7 | 175.4 | -72.3 | -176.5 | -178.2 | 0 | 0 | 111.3 | E98 V99 G100 S106 | E98-M102 HydrophobicContact CG-CE 3.65Å; E98-M102 HydrophobicContact CG-SD 4.38Å; E98-M102 WeakPolarHBondContact O-CG 3.23Å; E98-M102 PolarHBondContact O-N 2.75Å; E98-M102 WeakPolarHBondContact OE1-CE 3.28Å; V99-M102 PolarHBondContact O-N 2.9Å; G100-M102 VanDerWaalsContact C-N 3.33Å; G100-M102 PolarHBondContact O-N 3.48Å; M102-S106 VanDerWaalsContact O-CB 3.29Å; M102-S106 WeakPolarHBondContact O-CB 3.38Å; M102-S106 PolarHBondContact O-N 2.84Å; M102-S106 PolarHBondContact O-OG 2.94Å |
| 103 | L | 93.5 | Very high | 89.5 | Confident | 114 Ų | 114 | 96.8 Ų | 96.8 | 60% | 0.597 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.8 | -41.9 | 175.8 | -71.6 | 174.6 | 0 | 0 | 0 | 111.6 | V99 G100 S106 G107 | V99-L103 HydrophobicContact CG1-CD1 3.94Å; V99-L103 HydrophobicContact CG1-CG 4.26Å; V99-L103 WeakPolarHBondContact O-CB 3.44Å; V99-L103 VanDerWaalsContact O-CG 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.42Å; V99-L103 PolarHBondContact O-N 2.72Å; G100-L103 PolarHBondContact O-N 3.47Å; L103-S106 PolarHBondContact O-N 2.95Å; L103-G107 PolarHBondContact O-N 2.99Å |
| 104 | D | 93.4 | Very high | 91.2 | Very high | 115 Ų | 115 | 93.5 Ų | 93.5 | 62% | 0.615 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.6 | -48.2 | 175.7 | -75.5 | -15.7 | 0 | 0 | 0 | 111.1 | G100 S106 G107 D108 | G100-D104 PolarHBondContact O-N 2.98Å; D104-S106 VanDerWaalsContact C-N 3.34Å; D104-S106 PolarHBondContact O-N 3.31Å; D104-G107 PolarHBondContact O-N 2.73Å; D104-D108 WeakPolarHBondContact O-CB 3.33Å; D104-D108 PolarHBondContact O-N 3.28Å |
| 105 | K | 94.6 | Very high | 92.4 | Very high | 132 Ų | 132 | 90.9 Ų | 90.9 | 57% | 0.574 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.1 | -45 | 174.7 | -72.9 | 168.6 | -174.2 | 168 | 0 | 112 | S101 G107 D108 D109 | S101-K105 WeakPolarHBondContact O-CB 3.2Å; S101-K105 WeakPolarHBondContact O-CD 3.29Å; S101-K105 VanDerWaalsContact O-CG 3.23Å; S101-K105 WeakPolarHBondContact O-CG 3.46Å; S101-K105 PolarHBondContact O-N 2.84Å; S101-K105 VanDerWaalsContact O-N 3.12Å; K105-G107 VanDerWaalsContact C-N 3.34Å; K105-D108 PolarHBondContact O-N 2.93Å; K105-D109 WeakPolarHBondContact O-CB 3.4Å; K105-D109 VanDerWaalsContact O-CG 3.3Å; K105-D109 PolarHBondContact O-N 3.15Å |
| 106 | S | 93.6 | Very high | 93.3 | Very high | 61 Ų | 61 | 90 Ų | 90 | 43% | 0.427 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 177.9 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | M102 L103 D104 D109 I110 | M102-S106 VanDerWaalsContact O-CB 3.29Å; M102-S106 WeakPolarHBondContact O-CB 3.38Å; M102-S106 PolarHBondContact O-N 2.84Å; M102-S106 PolarHBondContact O-OG 2.94Å; L103-S106 PolarHBondContact O-N 2.95Å; D104-S106 VanDerWaalsContact C-N 3.34Å; D104-S106 PolarHBondContact O-N 3.31Å; S106-D109 PolarHBondContact O-N 3.37Å; S106-I110 WeakPolarHBondContact O-CB 3.45Å; S106-I110 WeakPolarHBondContact O-CD1 3.41Å; S106-I110 WeakPolarHBondContact O-CG1 3.41Å; S106-I110 PolarHBondContact O-N 2.76Å |
| 107 | G | 95.4 | Very high | 94.1 | Very high | 37 Ų | 37 | 94 Ų | 94 | 38% | 0.381 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L103 D104 K105 I110 Y111 | L103-G107 PolarHBondContact O-N 2.99Å; D104-G107 PolarHBondContact O-N 2.73Å; K105-G107 VanDerWaalsContact C-N 3.34Å; G107-I110 PolarHBondContact O-N 3.29Å; G107-Y111 WeakPolarHBondContact O-CB 3.24Å; G107-Y111 PolarHBondContact O-N 3.34Å |
| 108 | D | 95.5 | Very high | 94.6 | Very high | 91 Ų | 91 | 93.3 Ų | 93.3 | 49% | 0.487 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 174.4 | -83.8 | -8.9 | 0 | 0 | 0 | 112.1 | D104 K105 Y111 K112 | D104-D108 WeakPolarHBondContact O-CB 3.33Å; D104-D108 PolarHBondContact O-N 3.28Å; K105-D108 PolarHBondContact O-N 2.93Å; D108-Y111 PolarHBondContact O-N 3.41Å; D108-K112 WeakPolarHBondContact O-CB 3.17Å; D108-K112 WeakPolarHBondContact O-CG 3.28Å; D108-K112 PolarHBondContact O-N 3.21Å |
| 109 | D | 95.8 | Very high | 95.1 | Very high | 91 Ų | 91 | 93 Ų | 93 | 49% | 0.487 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.5 | -38.8 | -179.9 | -72.8 | -15.4 | 0 | 0 | 0 | 111.7 | K105 S106 K112 T113 | K105-D109 WeakPolarHBondContact O-CB 3.4Å; K105-D109 VanDerWaalsContact O-CG 3.3Å; K105-D109 PolarHBondContact O-N 3.15Å; S106-D109 PolarHBondContact O-N 3.37Å; D109-K112 IonicContact OD1-NZ 3.73Å; D109-T113 VanDerWaalsContact O-CB 3.24Å; D109-T113 WeakPolarHBondContact O-CB 3.37Å; D109-T113 PolarHBondContact O-N 3.29Å; D109-T113 PolarHBondContact O-OG1 3.01Å |
| 110 | I | 96.1 | Very high | 95.6 | Very high | 103 Ų | 103 | 95.1 Ų | 95.1 | 53% | 0.528 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.9 | -49.1 | 171.1 | -69.5 | 163.7 | 0 | 0 | 0 | 109.8 | S106 G107 K112 T113 L114 | S106-I110 WeakPolarHBondContact O-CB 3.45Å; S106-I110 WeakPolarHBondContact O-CD1 3.41Å; S106-I110 WeakPolarHBondContact O-CG1 3.41Å; S106-I110 PolarHBondContact O-N 2.76Å; G107-I110 PolarHBondContact O-N 3.29Å; I110-K112 PolarHBondContact O-N 3.38Å; I110-T113 PolarHBondContact O-N 2.77Å; I110-L114 HydrophobicContact CG2-CD1 3.73Å; I110-L114 HydrophobicContact CG2-CG 4.2Å; I110-L114 WeakPolarHBondContact O-CB 3.28Å; I110-L114 VanDerWaalsContact O-CG 3.28Å; I110-L114 WeakPolarHBondContact O-CG 3.5Å; I110-L114 PolarHBondContact O-N 2.88Å |
| 111 | Y | 97.4 | Very high | 96 | Very high | 149 Ų | 149 | 99.7 Ų | 99.7 | 58% | 0.584 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.1 | -48.4 | 179.5 | 178.7 | -92.4 | 0 | 0 | 0 | 111.6 | G107 D108 T113 L114 H115 | G107-Y111 WeakPolarHBondContact O-CB 3.24Å; G107-Y111 PolarHBondContact O-N 3.34Å; D108-Y111 PolarHBondContact O-N 3.41Å; Y111-T113 PolarHBondContact O-N 2.88Å; Y111-L114 PolarHBondContact O-N 3.38Å; Y111-H115 VanDerWaalsContact O-CB 3.28Å; Y111-H115 WeakPolarHBondContact O-CB 3.36Å; Y111-H115 PolarHBondContact O-N 2.88Å |
| 112 | K | 97.2 | Very high | 96.3 | Very high | 110 Ų | 110 | 102.2 Ų | 102.2 | 48% | 0.478 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 176.3 | -72 | 166.4 | -165.7 | 160.4 | 0 | 111.4 | D108 D109 I110 H115 I116 | D108-K112 WeakPolarHBondContact O-CB 3.17Å; D108-K112 WeakPolarHBondContact O-CG 3.28Å; D108-K112 PolarHBondContact O-N 3.21Å; D109-K112 IonicContact OD1-NZ 3.73Å; I110-K112 PolarHBondContact O-N 3.38Å; K112-H115 PolarHBondContact O-N 2.91Å; K112-I116 VanDerWaalsContact O-CG1 3.28Å; K112-I116 WeakPolarHBondContact O-CG1 3.42Å; K112-I116 PolarHBondContact O-N 3.39Å |
| 113 | T | 97.5 | Very high | 96.6 | Very high | 75 Ų | 75 | 100.8 Ų | 100.8 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 179.4 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | D109 I110 Y111 I116 K117 | D109-T113 VanDerWaalsContact O-CB 3.24Å; D109-T113 WeakPolarHBondContact O-CB 3.37Å; D109-T113 PolarHBondContact O-N 3.29Å; D109-T113 PolarHBondContact O-OG1 3.01Å; I110-T113 PolarHBondContact O-N 2.77Å; Y111-T113 PolarHBondContact O-N 2.88Å; T113-I116 PolarHBondContact O-N 2.99Å; T113-K117 WeakPolarHBondContact O-CB 3.31Å; T113-K117 PolarHBondContact O-N 3.46Å |
| 114 | L | 97.8 | Very high | 96.8 | Very high | 98 Ų | 98 | 102.9 Ų | 102.9 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 176.3 | -72.4 | 176.6 | 0 | 0 | 0 | 111.8 | I110 Y111 K117 R118 | I110-L114 HydrophobicContact CG2-CD1 3.73Å; I110-L114 HydrophobicContact CG2-CG 4.2Å; I110-L114 WeakPolarHBondContact O-CB 3.28Å; I110-L114 VanDerWaalsContact O-CG 3.28Å; I110-L114 WeakPolarHBondContact O-CG 3.5Å; I110-L114 PolarHBondContact O-N 2.88Å; Y111-L114 PolarHBondContact O-N 3.38Å; L114-K117 PolarHBondContact O-N 3.37Å; L114-R118 WeakPolarHBondContact O-CB 3.37Å; L114-R118 PolarHBondContact O-N 3.47Å |
| 115 | H | 97.8 | Very high | 96.9 | Very high | 74 Ų | 74 | 100.9 Ų | 100.9 | 34% | 0.343 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 176.9 | -172 | 77.5 | 0 | 0 | 0 | 111.6 | Y111 K112 R118 K119 | Y111-H115 VanDerWaalsContact O-CB 3.28Å; Y111-H115 WeakPolarHBondContact O-CB 3.36Å; Y111-H115 PolarHBondContact O-N 2.88Å; K112-H115 PolarHBondContact O-N 2.91Å; H115-R118 PolarHBondContact O-N 3.32Å; H115-K119 WeakPolarHBondContact O-CG 3.38Å; H115-K119 PolarHBondContact O-N 3.21Å |
| 116 | I | 97.9 | Very high | 97 | Very high | 114 Ų | 114 | 102.4 Ų | 102.4 | 59% | 0.585 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.7 | -47.5 | 175.4 | -68 | 165 | 0 | 0 | 0 | 110.8 | K112 T113 R118 K119 L120 | K112-I116 VanDerWaalsContact O-CG1 3.28Å; K112-I116 WeakPolarHBondContact O-CG1 3.42Å; K112-I116 PolarHBondContact O-N 3.39Å; T113-I116 PolarHBondContact O-N 2.99Å; I116-R118 VanDerWaalsContact C-N 3.33Å; I116-R118 PolarHBondContact O-N 2.95Å; I116-K119 PolarHBondContact O-N 3.5Å; I116-L120 PolarHBondContact O-N 3.36Å |
| 117 | K | 98.2 | Very high | 97.1 | Very high | 130 Ų | 130 | 105.7 Ų | 105.7 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57.8 | -44.6 | 176.4 | -86.1 | 175.7 | 174.2 | -84.8 | 0 | 111.7 | T113 L114 L120 M121 | T113-K117 WeakPolarHBondContact O-CB 3.31Å; T113-K117 PolarHBondContact O-N 3.46Å; L114-K117 PolarHBondContact O-N 3.37Å; K117-L120 PolarHBondContact O-N 3.47Å; K117-M121 WeakPolarHBondContact O-CG 3.4Å; K117-M121 PolarHBondContact O-N 3.29Å |
| 118 | R | 98.1 | Very high | 97.1 | Very high | 126 Ų | 126 | 106.5 Ų | 106.5 | 48% | 0.475 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.2 | -50.2 | 176.8 | -172.8 | -170 | -61.2 | 155.6 | 1.8 | 111.3 | L114 H115 I116 L120 M121 E122 | L114-R118 WeakPolarHBondContact O-CB 3.37Å; L114-R118 PolarHBondContact O-N 3.47Å; H115-R118 PolarHBondContact O-N 3.32Å; I116-R118 VanDerWaalsContact C-N 3.33Å; I116-R118 PolarHBondContact O-N 2.95Å; R118-L120 VanDerWaalsContact C-N 3.31Å; R118-L120 PolarHBondContact O-N 3.38Å; R118-M121 PolarHBondContact O-N 2.94Å; R118-M121 VanDerWaalsContact O-N 3.15Å; R118-E122 WeakPolarHBondContact CD-OE1 3.37Å; R118-E122 HydrophobicContact CG-CG 4.43Å; R118-E122 VanDerWaalsContact CG-OE1 3.31Å; R118-E122 WeakPolarHBondContact CG-OE1 3.36Å; R118-E122 WeakPolarHBondContact O-CG 3.47Å; R118-E122 PolarHBondContact O-N 2.92Å |
| 119 | K | 98.3 | Very high | 97.1 | Very high | 98 Ų | 98 | 108.1 Ų | 108.1 | 43% | 0.426 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.9 | -38.6 | 179.1 | -73.3 | -72.7 | 160.8 | -150.4 | 0 | 112.7 | H115 I116 E122 T123 | H115-K119 WeakPolarHBondContact O-CG 3.38Å; H115-K119 PolarHBondContact O-N 3.21Å; I116-K119 PolarHBondContact O-N 3.5Å; K119-E122 IonicContact NZ-OE1 2.7Å; K119-E122 IonicContact NZ-OE2 3.99Å; K119-E122 PolarHBondContact NZ-OE2 2.9Å; K119-T123 WeakPolarHBondContact O-CB 3.31Å; K119-T123 PolarHBondContact O-N 3.15Å; K119-T123 PolarHBondContact O-OG1 2.62Å |
| 120 | L | 97.9 | Very high | 97.2 | Very high | 122 Ų | 122 | 111.5 Ų | 111.5 | 64% | 0.639 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.3 | -43.9 | 174.5 | -176 | 65.3 | 0 | 0 | 0 | 111.7 | I116 K117 R118 T123 Y124 | I116-L120 PolarHBondContact O-N 3.36Å; K117-L120 PolarHBondContact O-N 3.47Å; R118-L120 VanDerWaalsContact C-N 3.31Å; R118-L120 PolarHBondContact O-N 3.38Å; L120-T123 PolarHBondContact O-N 3.47Å; L120-Y124 VanDerWaalsContact O-CB 3.31Å; L120-Y124 WeakPolarHBondContact O-CB 3.31Å; L120-Y124 PolarHBondContact O-N 3.45Å |
| 121 | M | 98 | Very high | 97.1 | Very high | 123 Ų | 123 | 108.7 Ų | 108.7 | 61% | 0.606 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.6 | -46.6 | 176.4 | -69 | -172 | -35.7 | 0 | 0 | 112.2 | K117 R118 T123 Y124 V125 | K117-M121 WeakPolarHBondContact O-CG 3.4Å; K117-M121 PolarHBondContact O-N 3.29Å; R118-M121 PolarHBondContact O-N 2.94Å; R118-M121 VanDerWaalsContact O-N 3.15Å; M121-T123 VanDerWaalsContact C-N 3.29Å; M121-T123 PolarHBondContact O-N 2.72Å; M121-Y124 PolarHBondContact O-N 3.47Å; M121-V125 WeakPolarHBondContact O-CB 3.43Å; M121-V125 VanDerWaalsContact O-CG2 3.28Å; M121-V125 WeakPolarHBondContact O-CG2 3.33Å; M121-V125 PolarHBondContact O-N 3.11Å |
| 122 | E | 97.6 | Very high | 97 | Very high | 89 Ų | 89 | 105 Ų | 105 | 42% | 0.416 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -55.3 | -46.7 | 176.2 | -75.2 | 170.3 | -166.5 | 0 | 0 | 110.9 | R118 K119 V125 K126 | R118-E122 WeakPolarHBondContact CD-OE1 3.37Å; R118-E122 HydrophobicContact CG-CG 4.43Å; R118-E122 VanDerWaalsContact CG-OE1 3.31Å; R118-E122 WeakPolarHBondContact CG-OE1 3.36Å; R118-E122 WeakPolarHBondContact O-CG 3.47Å; R118-E122 PolarHBondContact O-N 2.92Å; K119-E122 IonicContact NZ-OE1 2.7Å; K119-E122 IonicContact NZ-OE2 3.99Å; K119-E122 PolarHBondContact NZ-OE2 2.9Å; E122-V125 PolarHBondContact O-N 3.24Å; E122-K126 VanDerWaalsContact O-CB 3.31Å; E122-K126 WeakPolarHBondContact O-CB 3.26Å; E122-K126 PolarHBondContact O-N 3.17Å |
| 123 | T | 97.4 | Very high | 97 | Very high | 65 Ų | 65 | 104.1 Ų | 104.1 | 40% | 0.399 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -48.7 | 178.7 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | K119 L120 M121 V125 K126 E127 | K119-T123 WeakPolarHBondContact O-CB 3.31Å; K119-T123 PolarHBondContact O-N 3.15Å; K119-T123 PolarHBondContact O-OG1 2.62Å; L120-T123 PolarHBondContact O-N 3.47Å; M121-T123 VanDerWaalsContact C-N 3.29Å; M121-T123 PolarHBondContact O-N 2.72Å; T123-V125 VanDerWaalsContact C-N 3.33Å; T123-V125 PolarHBondContact O-N 3.27Å; T123-K126 PolarHBondContact O-N 2.96Å; T123-E127 HydrophobicContact CG2-CG 4.33Å; T123-E127 WeakPolarHBondContact O-CB 3.27Å; T123-E127 WeakPolarHBondContact O-CG 3.28Å; T123-E127 PolarHBondContact O-N 3.24Å |
| 124 | Y | 96.3 | Very high | 97.1 | Very high | 157 Ų | 157 | 105 Ų | 105 | 62% | 0.616 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.1 | -44.2 | 178.5 | 175.3 | -97.2 | 0 | 0 | 0 | 112.3 | L120 M121 S128 | L120-Y124 VanDerWaalsContact O-CB 3.31Å; L120-Y124 WeakPolarHBondContact O-CB 3.31Å; L120-Y124 PolarHBondContact O-N 3.45Å; M121-Y124 PolarHBondContact O-N 3.47Å; Y124-S128 VanDerWaalsContact O-CB 3.26Å; Y124-S128 WeakPolarHBondContact O-CB 3.33Å; Y124-S128 PolarHBondContact O-N 3.47Å; Y124-S128 PolarHBondContact O-OG 2.8Å |
| 125 | V | 96.6 | Very high | 97 | Very high | 74 Ų | 74 | 108.1 Ų | 108.1 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.7 | -50.4 | 176.1 | 170.1 | 0 | 0 | 0 | 0 | 109.9 | M121 E122 T123 E127 S128 F129 | M121-V125 WeakPolarHBondContact O-CB 3.43Å; M121-V125 VanDerWaalsContact O-CG2 3.28Å; M121-V125 WeakPolarHBondContact O-CG2 3.33Å; M121-V125 PolarHBondContact O-N 3.11Å; E122-V125 PolarHBondContact O-N 3.24Å; T123-V125 VanDerWaalsContact C-N 3.33Å; T123-V125 PolarHBondContact O-N 3.27Å; V125-E127 PolarHBondContact O-N 3.14Å; V125-S128 PolarHBondContact O-N 2.91Å; V125-F129 HydrophobicContact CG1-CD2 3.61Å; V125-F129 HydrophobicContact CG1-CE2 3.71Å; V125-F129 VanDerWaalsContact O-CD2 3.27Å; V125-F129 WeakPolarHBondContact O-CD2 3.46Å; V125-F129 PolarHBondContact O-N 3.37Å |
| 126 | K | 97 | Very high | 97.1 | Very high | 163 Ų | 163 | 109.4 Ų | 109.4 | 71% | 0.709 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57.5 | -45.5 | 179.8 | -174.9 | 174.8 | -177.5 | 172.3 | 0 | 112.4 | E122 T123 K130 | E122-K126 VanDerWaalsContact O-CB 3.31Å; E122-K126 WeakPolarHBondContact O-CB 3.26Å; E122-K126 PolarHBondContact O-N 3.17Å; T123-K126 PolarHBondContact O-N 2.96Å; K126-K130 WeakPolarHBondContact O-CB 3.4Å; K126-K130 PolarHBondContact O-N 2.99Å |
| 127 | E | 95.7 | Very high | 97.1 | Very high | 130 Ų | 130 | 108.6 Ų | 108.6 | 61% | 0.607 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.9 | -42.5 | 177.8 | -71.8 | 177.9 | 173.3 | 0 | 0 | 112 | T123 V125 F129 K130 G131 | T123-E127 HydrophobicContact CG2-CG 4.33Å; T123-E127 WeakPolarHBondContact O-CB 3.27Å; T123-E127 WeakPolarHBondContact O-CG 3.28Å; T123-E127 PolarHBondContact O-N 3.24Å; V125-E127 PolarHBondContact O-N 3.14Å; E127-F129 PolarHBondContact O-N 3.34Å; E127-K130 PolarHBondContact O-N 3.42Å; E127-G131 PolarHBondContact O-N 3.47Å |
| 128 | S | 94.7 | Very high | 97.1 | Very high | 55 Ų | 55 | 109.9 Ų | 109.9 | 39% | 0.385 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 176.9 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | Y124 V125 S132 | Y124-S128 VanDerWaalsContact O-CB 3.26Å; Y124-S128 WeakPolarHBondContact O-CB 3.33Å; Y124-S128 PolarHBondContact O-N 3.47Å; Y124-S128 PolarHBondContact O-OG 2.8Å; V125-S128 PolarHBondContact O-N 2.91Å; S128-S132 WeakPolarHBondContact O-CB 3.22Å; S128-S132 PolarHBondContact O-N 2.87Å |
| 129 | F | 96.3 | Very high | 97.1 | Very high | 124 Ų | 124 | 110.3 Ų | 110.3 | 54% | 0.544 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.4 | -37.5 | 177.3 | -85.1 | -77.5 | 0 | 0 | 0 | 112.7 | V125 E127 G131 S132 N133 | V125-F129 HydrophobicContact CG1-CD2 3.61Å; V125-F129 HydrophobicContact CG1-CE2 3.71Å; V125-F129 VanDerWaalsContact O-CD2 3.27Å; V125-F129 WeakPolarHBondContact O-CD2 3.46Å; V125-F129 PolarHBondContact O-N 3.37Å; E127-F129 PolarHBondContact O-N 3.34Å; F129-G131 PolarHBondContact O-N 2.9Å; F129-S132 PolarHBondContact O-N 3.3Å; F129-N133 VanDerWaalsContact O-CB 3.22Å; F129-N133 WeakPolarHBondContact O-CB 3.47Å; F129-N133 PolarHBondContact O-N 3.4Å |
| 130 | K | 96.8 | Very high | 97.1 | Very high | 162 Ų | 162 | 108.7 Ų | 108.7 | 70% | 0.704 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.3 | -50.2 | -179.4 | -175 | 175.3 | -178.1 | 176.4 | 0 | 112 | K126 E127 Q134 | K126-K130 WeakPolarHBondContact O-CB 3.4Å; K126-K130 PolarHBondContact O-N 2.99Å; E127-K130 PolarHBondContact O-N 3.42Å; K130-Q134 WeakPolarHBondContact O-CB 3.42Å; K130-Q134 PolarHBondContact O-N 2.96Å; K130-Q134 VanDerWaalsContact O-N 3.15Å |
| 131 | G | 93.9 | Very high | 97.1 | Very high | 45 Ų | 45 | 108 Ų | 108 | 46% | 0.464 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E127 F129 K135 | E127-G131 PolarHBondContact O-N 3.47Å; F129-G131 PolarHBondContact O-N 2.9Å; G131-K135 PolarHBondContact O-N 3.44Å; G131-K135 VanDerWaalsContact O-N 3.14Å |
| 132 | S | 96.6 | Very high | 97.2 | Very high | 72 Ų | 72 | 106.7 Ų | 106.7 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64 | -47.9 | 178.9 | -169.3 | 0 | 0 | 0 | 0 | 112.3 | S128 F129 Q134 K135 L136 | S128-S132 WeakPolarHBondContact O-CB 3.22Å; S128-S132 PolarHBondContact O-N 2.87Å; F129-S132 PolarHBondContact O-N 3.3Å; S132-Q134 PolarHBondContact O-N 2.85Å; S132-K135 WeakPolarHBondContact O-CB 3.28Å; S132-K135 PolarHBondContact O-N 3.3Å; S132-L136 PolarHBondContact O-N 2.94Å |
| 133 | N | 97.6 | Very high | 97.2 | Very high | 91 Ų | 91 | 105.9 Ų | 105.9 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | -180 | -73.5 | -3.9 | 0 | 0 | 0 | 111.6 | F129 K135 L136 E137 | F129-N133 VanDerWaalsContact O-CB 3.22Å; F129-N133 WeakPolarHBondContact O-CB 3.47Å; F129-N133 PolarHBondContact O-N 3.4Å; N133-K135 VanDerWaalsContact C-N 3.28Å; N133-K135 PolarHBondContact O-N 3.18Å; N133-L136 PolarHBondContact O-N 3.13Å; N133-E137 WeakPolarHBondContact O-CB 3.47Å; N133-E137 PolarHBondContact O-N 3.35Å |
| 134 | Q | 97.8 | Very high | 97.3 | Very high | 93 Ų | 93 | 109.3 Ų | 109.3 | 44% | 0.435 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.9 | -38.2 | 176.1 | -169.8 | -179.8 | 28.4 | 0 | 0 | 111.8 | K130 S132 R138 | K130-Q134 WeakPolarHBondContact O-CB 3.42Å; K130-Q134 PolarHBondContact O-N 2.96Å; K130-Q134 VanDerWaalsContact O-N 3.15Å; S132-Q134 PolarHBondContact O-N 2.85Å; Q134-R138 VanDerWaalsContact CD-NH2 3.25Å; Q134-R138 VanDerWaalsContact O-CG 3.28Å; Q134-R138 WeakPolarHBondContact O-CG 3.4Å; Q134-R138 PolarHBondContact O-N 2.98Å; Q134-R138 VanDerWaalsContact O-N 3.11Å |
| 135 | K | 97.3 | Very high | 97.4 | Very high | 164 Ų | 164 | 108.9 Ų | 108.9 | 71% | 0.713 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.3 | -43.1 | 176.3 | -170.9 | -179.6 | 179.9 | -176.9 | 0 | 111.5 | G131 S132 N133 R138 F139 | G131-K135 PolarHBondContact O-N 3.44Å; G131-K135 VanDerWaalsContact O-N 3.14Å; S132-K135 WeakPolarHBondContact O-CB 3.28Å; S132-K135 PolarHBondContact O-N 3.3Å; N133-K135 VanDerWaalsContact C-N 3.28Å; N133-K135 PolarHBondContact O-N 3.18Å; K135-R138 PolarHBondContact O-N 3.22Å; K135-F139 WeakPolarHBondContact O-CB 3.47Å; K135-F139 PolarHBondContact O-N 3.26Å |
| 136 | L | 98.1 | Very high | 97.5 | Very high | 100 Ų | 100 | 110.6 Ų | 110.6 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 176.3 | 179.3 | 61.4 | 0 | 0 | 0 | 111.2 | S132 N133 R138 F139 C140 | S132-L136 PolarHBondContact O-N 2.94Å; N133-L136 PolarHBondContact O-N 3.13Å; L136-R138 PolarHBondContact O-N 2.9Å; L136-F139 WeakPolarHBondContact O-CB 3.42Å; L136-F139 PolarHBondContact O-N 3.39Å; L136-C140 PolarHBondContact O-N 2.93Å; L136-C140 PolarHBondContact O-SG 3.42Å |
| 137 | E | 98.2 | Very high | 97.6 | Very high | 98 Ų | 98 | 111 Ų | 111 | 46% | 0.458 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60 | -46.5 | 178.9 | -169.7 | -164.9 | 164.9 | 0 | 0 | 111.9 | N133 F139 C140 K141 | N133-E137 WeakPolarHBondContact O-CB 3.47Å; N133-E137 PolarHBondContact O-N 3.35Å; E137-F139 VanDerWaalsContact C-N 3.32Å; E137-F139 PolarHBondContact O-N 3.21Å; E137-C140 PolarHBondContact O-N 3.4Å; E137-K141 HydrophobicContact CG-CD 4.32Å; E137-K141 WeakPolarHBondContact O-CB 3.42Å; E137-K141 WeakPolarHBondContact O-CG 3.4Å; E137-K141 PolarHBondContact O-N 2.94Å; E137-K141 WeakPolarHBondContact OE1-CE 3.42Å; E137-K141 IonicContact OE1-NZ 2.76Å; E137-K141 PolarHBondContact OE1-NZ 3.38Å |
| 138 | R | 98.4 | Very high | 97.7 | Very high | 157 Ų | 157 | 111.3 Ų | 111.3 | 59% | 0.592 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60 | -43.1 | 175.3 | -72.1 | 176.4 | -169 | -180 | 5.6 | 111.7 | Q134 K135 L136 M142 | Q134-R138 VanDerWaalsContact CD-NH2 3.25Å; Q134-R138 VanDerWaalsContact O-CG 3.28Å; Q134-R138 WeakPolarHBondContact O-CG 3.4Å; Q134-R138 PolarHBondContact O-N 2.98Å; Q134-R138 VanDerWaalsContact O-N 3.11Å; K135-R138 PolarHBondContact O-N 3.22Å; L136-R138 PolarHBondContact O-N 2.9Å; R138-M142 WeakPolarHBondContact O-CB 3.43Å; R138-M142 PolarHBondContact O-N 3.24Å |
| 139 | F | 98.4 | Very high | 97.9 | Very high | 134 Ų | 134 | 114 Ų | 114 | 59% | 0.588 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.8 | -47.5 | 177.5 | 176.2 | -98.2 | 0 | 0 | 0 | 111.6 | K135 L136 E137 K141 M142 N143 | K135-F139 WeakPolarHBondContact O-CB 3.47Å; K135-F139 PolarHBondContact O-N 3.26Å; L136-F139 WeakPolarHBondContact O-CB 3.42Å; L136-F139 PolarHBondContact O-N 3.39Å; E137-F139 VanDerWaalsContact C-N 3.32Å; E137-F139 PolarHBondContact O-N 3.21Å; F139-K141 PolarHBondContact O-N 3.49Å; F139-M142 PolarHBondContact O-N 3.39Å; F139-N143 WeakPolarHBondContact O-CB 3.48Å; F139-N143 PolarHBondContact O-N 3.2Å |
| 140 | C | 98.6 | Very high | 98 | Very high | 64 Ų | 64 | 112.7 Ų | 112.7 | 43% | 0.432 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.1 | -47.7 | 177.4 | -70.1 | 0 | 0 | 0 | 0 | 111.8 | L136 E137 M142 N143 E144 | L136-C140 PolarHBondContact O-N 2.93Å; L136-C140 PolarHBondContact O-SG 3.42Å; E137-C140 PolarHBondContact O-N 3.4Å; C140-M142 VanDerWaalsContact C-N 3.31Å; C140-M142 PolarHBondContact O-N 3.39Å; C140-N143 PolarHBondContact O-N 2.96Å; C140-E144 WeakPolarHBondContact O-CB 3.49Å; C140-E144 PolarHBondContact O-N 2.91Å |
| 141 | K | 98.7 | Very high | 98.1 | Very high | 107 Ų | 107 | 109.5 Ų | 109.5 | 47% | 0.465 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -38.3 | 176.5 | -74.6 | 175.4 | 172.2 | 173.8 | 0 | 112.6 | E137 F139 R145 | E137-K141 HydrophobicContact CG-CD 4.32Å; E137-K141 WeakPolarHBondContact O-CB 3.42Å; E137-K141 WeakPolarHBondContact O-CG 3.4Å; E137-K141 PolarHBondContact O-N 2.94Å; E137-K141 WeakPolarHBondContact OE1-CE 3.42Å; E137-K141 IonicContact OE1-NZ 2.76Å; E137-K141 PolarHBondContact OE1-NZ 3.38Å; F139-K141 PolarHBondContact O-N 3.49Å; K141-R145 WeakPolarHBondContact O-CB 3.48Å; K141-R145 PolarHBondContact O-N 3.39Å |
| 142 | M | 98.7 | Very high | 98.3 | Very high | 97 Ų | 97 | 111 Ų | 111 | 48% | 0.478 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.3 | -51.4 | 175.6 | -172.2 | 67.8 | 79.6 | 0 | 0 | 111 | R138 F139 C140 E144 R145 E146 | R138-M142 WeakPolarHBondContact O-CB 3.43Å; R138-M142 PolarHBondContact O-N 3.24Å; F139-M142 PolarHBondContact O-N 3.39Å; C140-M142 VanDerWaalsContact C-N 3.31Å; C140-M142 PolarHBondContact O-N 3.39Å; M142-E144 VanDerWaalsContact C-N 3.33Å; M142-E144 PolarHBondContact O-N 2.92Å; M142-R145 WeakPolarHBondContact O-CB 3.42Å; M142-R145 PolarHBondContact O-N 3.43Å; M142-R145 VanDerWaalsContact O-N 3.13Å; M142-R145 PolarHBondContact SD-NH1 2.9Å; M142-E146 WeakPolarHBondContact O-CG 3.32Å; M142-E146 PolarHBondContact O-N 3.44Å |
| 143 | N | 98.7 | Very high | 98.4 | Very high | 72 Ų | 72 | 113.6 Ų | 113.6 | 39% | 0.385 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -39.7 | -178.8 | -177.6 | 57.9 | 0 | 0 | 0 | 112.2 | F139 C140 E146 R147 | F139-N143 WeakPolarHBondContact O-CB 3.48Å; F139-N143 PolarHBondContact O-N 3.2Å; C140-N143 PolarHBondContact O-N 2.96Å; N143-E146 PolarHBondContact O-N 3.4Å; N143-R147 WeakPolarHBondContact O-CB 3.4Å; N143-R147 WeakPolarHBondContact O-CG 3.39Å; N143-R147 PolarHBondContact O-N 3.01Å |
| 144 | E | 98.7 | Very high | 98.5 | Very high | 137 Ų | 137 | 114.1 Ų | 114.1 | 64% | 0.64 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.8 | -45.3 | 174.1 | -172.6 | -173.9 | 169.9 | 0 | 0 | 111.7 | C140 M142 E146 R147 K148 | C140-E144 WeakPolarHBondContact O-CB 3.49Å; C140-E144 PolarHBondContact O-N 2.91Å; M142-E144 VanDerWaalsContact C-N 3.33Å; M142-E144 PolarHBondContact O-N 2.92Å; E144-E146 PolarHBondContact O-N 2.92Å; E144-R147 PolarHBondContact O-N 3.28Å; E144-K148 WeakPolarHBondContact O-CB 3.46Å; E144-K148 PolarHBondContact O-N 2.81Å |
| 145 | R | 98.6 | Very high | 98.5 | Very high | 148 Ų | 148 | 112.2 Ų | 112.2 | 56% | 0.558 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.5 | -43.4 | 177.4 | -169.1 | -173 | -57.4 | 110.5 | 1.6 | 111.8 | K141 M142 K148 N149 | K141-R145 WeakPolarHBondContact O-CB 3.48Å; K141-R145 PolarHBondContact O-N 3.39Å; M142-R145 WeakPolarHBondContact O-CB 3.42Å; M142-R145 PolarHBondContact O-N 3.43Å; M142-R145 VanDerWaalsContact O-N 3.13Å; M142-R145 PolarHBondContact SD-NH1 2.9Å; R145-K148 PolarHBondContact O-N 3.39Å; R145-N149 WeakPolarHBondContact O-CB 3.38Å; R145-N149 PolarHBondContact O-N 3.3Å |
| 146 | E | 98.7 | Very high | 98.6 | Very high | 110 Ų | 110 | 110.5 Ų | 110.5 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -46.3 | 177.9 | -72.2 | -173.7 | 122.2 | 0 | 0 | 111.7 | M142 N143 E144 K148 N149 I150 | M142-E146 WeakPolarHBondContact O-CG 3.32Å; M142-E146 PolarHBondContact O-N 3.44Å; N143-E146 PolarHBondContact O-N 3.4Å; E144-E146 PolarHBondContact O-N 2.92Å; E146-K148 VanDerWaalsContact C-N 3.33Å; E146-K148 PolarHBondContact O-N 2.91Å; E146-N149 PolarHBondContact O-N 3.47Å; E146-I150 WeakPolarHBondContact O-CG1 3.33Å; E146-I150 PolarHBondContact O-N 3.44Å |
| 147 | R | 98.8 | Very high | 98.6 | Very high | 171 Ų | 171 | 110.3 Ų | 110.3 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58 | -44.5 | 174.8 | -76.4 | -177.1 | 63.2 | 111.1 | 1.6 | 111.9 | N143 E144 I150 N151 | N143-R147 WeakPolarHBondContact O-CB 3.4Å; N143-R147 WeakPolarHBondContact O-CG 3.39Å; N143-R147 PolarHBondContact O-N 3.01Å; E144-R147 PolarHBondContact O-N 3.28Å; R147-I150 PolarHBondContact O-N 3.06Å; R147-N151 WeakPolarHBondContact O-CB 3.48Å; R147-N151 PolarHBondContact O-N 2.84Å |
| 148 | K | 98.7 | Very high | 98.6 | Very high | 137 Ų | 137 | 112.7 Ų | 112.7 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.4 | -43.4 | 176.8 | -174.4 | 175.7 | -178.8 | 175.2 | 0 | 111.7 | E144 R145 E146 N151 N152 | E144-K148 WeakPolarHBondContact O-CB 3.46Å; E144-K148 PolarHBondContact O-N 2.81Å; R145-K148 PolarHBondContact O-N 3.39Å; E146-K148 VanDerWaalsContact C-N 3.33Å; E146-K148 PolarHBondContact O-N 2.91Å; K148-N151 PolarHBondContact O-N 3.26Å; K148-N152 WeakPolarHBondContact O-CB 3.23Å; K148-N152 PolarHBondContact O-N 3.38Å; K148-N152 PolarHBondContact O-OD1 3.21Å |
| 149 | N | 98.7 | Very high | 98.6 | Very high | 111 Ų | 111 | 109.7 Ų | 109.7 | 59% | 0.594 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.5 | -46.2 | 177.9 | -175.2 | 45.5 | 0 | 0 | 0 | 112.1 | R145 E146 N152 K153 | R145-N149 WeakPolarHBondContact O-CB 3.38Å; R145-N149 PolarHBondContact O-N 3.3Å; E146-N149 PolarHBondContact O-N 3.47Å; N149-N152 PolarHBondContact O-N 2.94Å; N149-K153 WeakPolarHBondContact O-CB 3.43Å; N149-K153 PolarHBondContact O-N 2.92Å |
| 150 | I | 98.5 | Very high | 98.6 | Very high | 97 Ų | 97 | 106.2 Ų | 106.2 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.1 | -49.4 | 176.2 | -68.3 | 166.6 | 0 | 0 | 0 | 110 | E146 R147 N152 K153 F154 | E146-I150 WeakPolarHBondContact O-CG1 3.33Å; E146-I150 PolarHBondContact O-N 3.44Å; R147-I150 PolarHBondContact O-N 3.06Å; I150-N152 PolarHBondContact O-N 2.87Å; I150-K153 PolarHBondContact O-N 3.32Å; I150-F154 HydrophobicContact CG2-CD2 3.8Å; I150-F154 HydrophobicContact CG2-CE2 3.88Å; I150-F154 WeakPolarHBondContact O-CD2 3.33Å; I150-F154 PolarHBondContact O-N 3.25Å |
| 151 | N | 98.7 | Very high | 98.6 | Very high | 95 Ų | 95 | 107.4 Ų | 107.4 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 180 | -172 | 74.9 | 0 | 0 | 0 | 111.7 | R147 K148 K153 F154 C155 | R147-N151 WeakPolarHBondContact O-CB 3.48Å; R147-N151 PolarHBondContact O-N 2.84Å; K148-N151 PolarHBondContact O-N 3.26Å; N151-K153 PolarHBondContact O-N 3.43Å; N151-F154 PolarHBondContact O-N 2.79Å; N151-C155 WeakPolarHBondContact O-CB 3.34Å; N151-C155 PolarHBondContact O-N 3.35Å; N151-C155 PolarHBondContact O-SG 3.1Å |
| 152 | N | 98.7 | Very high | 98.6 | Very high | 75 Ų | 75 | 108.4 Ų | 108.4 | 40% | 0.401 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 177.8 | -72.9 | -3.4 | 0 | 0 | 0 | 111.9 | K148 N149 I150 F154 C155 E156 | K148-N152 WeakPolarHBondContact O-CB 3.23Å; K148-N152 PolarHBondContact O-N 3.38Å; K148-N152 PolarHBondContact O-OD1 3.21Å; N149-N152 PolarHBondContact O-N 2.94Å; I150-N152 PolarHBondContact O-N 2.87Å; N152-F154 VanDerWaalsContact C-N 3.32Å; N152-F154 PolarHBondContact O-N 3.16Å; N152-C155 PolarHBondContact O-N 3.13Å; N152-E156 WeakPolarHBondContact O-CG 3.34Å; N152-E156 PolarHBondContact O-N 2.89Å |
| 153 | K | 98.6 | Very high | 98.6 | Very high | 127 Ų | 127 | 109.2 Ų | 109.2 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.3 | -44.1 | 177.9 | -177.1 | 180 | 178.7 | -178.7 | 0 | 111.8 | N149 I150 N151 Q157 | N149-K153 WeakPolarHBondContact O-CB 3.43Å; N149-K153 PolarHBondContact O-N 2.92Å; I150-K153 PolarHBondContact O-N 3.32Å; N151-K153 PolarHBondContact O-N 3.43Å; K153-Q157 WeakPolarHBondContact O-CG 3.44Å; K153-Q157 PolarHBondContact O-N 3.42Å; K153-Q157 VanDerWaalsContact O-N 3.13Å |
| 154 | F | 98.6 | Very high | 98.6 | Very high | 103 Ų | 103 | 112.2 Ų | 112.2 | 45% | 0.452 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.3 | -41.3 | 177.2 | -82.8 | -73.5 | 0 | 0 | 0 | 112.1 | I150 N151 N152 E156 Q157 Y158 | I150-F154 HydrophobicContact CG2-CD2 3.8Å; I150-F154 HydrophobicContact CG2-CE2 3.88Å; I150-F154 WeakPolarHBondContact O-CD2 3.33Å; I150-F154 PolarHBondContact O-N 3.25Å; N151-F154 PolarHBondContact O-N 2.79Å; N152-F154 VanDerWaalsContact C-N 3.32Å; N152-F154 PolarHBondContact O-N 3.16Å; F154-E156 VanDerWaalsContact C-N 3.32Å; F154-E156 PolarHBondContact O-N 3Å; F154-Q157 WeakPolarHBondContact O-CB 3.5Å; F154-Q157 PolarHBondContact O-N 2.9Å; F154-Q157 VanDerWaalsContact O-N 3.16Å; F154-Y158 HydrophobicContact CB-CD2 4.45Å; F154-Y158 HydrophobicContact CB-CE2 4.36Å; F154-Y158 WeakPolarHBondContact O-CD2 3.3Å; F154-Y158 PolarHBondContact O-N 2.98Å |
| 155 | C | 98.6 | Very high | 98.6 | Very high | 52 Ų | 52 | 108.7 Ų | 108.7 | 35% | 0.351 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -55.7 | -46.4 | 174.2 | -72.7 | 0 | 0 | 0 | 0 | 111.6 | N151 N152 Q157 Y158 I159 | N151-C155 WeakPolarHBondContact O-CB 3.34Å; N151-C155 PolarHBondContact O-N 3.35Å; N151-C155 PolarHBondContact O-SG 3.1Å; N152-C155 PolarHBondContact O-N 3.13Å; C155-Q157 PolarHBondContact O-N 3.48Å; C155-Y158 PolarHBondContact O-N 3.33Å; C155-I159 WeakPolarHBondContact O-CB 3.46Å; C155-I159 VanDerWaalsContact O-CG1 3.23Å; C155-I159 WeakPolarHBondContact O-CG1 3.1Å; C155-I159 PolarHBondContact O-N 3.35Å |
| 156 | E | 98.6 | Very high | 98.6 | Very high | 129 Ų | 129 | 106.6 Ų | 106.6 | 60% | 0.603 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.6 | -41.5 | 176.3 | -73.5 | 177.8 | 176.3 | 0 | 0 | 112.4 | N152 F154 I159 T160 | N152-E156 WeakPolarHBondContact O-CG 3.34Å; N152-E156 PolarHBondContact O-N 2.89Å; F154-E156 VanDerWaalsContact C-N 3.32Å; F154-E156 PolarHBondContact O-N 3Å; E156-I159 PolarHBondContact O-N 3.11Å; E156-T160 WeakPolarHBondContact O-CB 3.29Å; E156-T160 PolarHBondContact O-N 2.94Å; E156-T160 PolarHBondContact O-OG1 3.18Å |
| 157 | Q | 98.7 | Very high | 98.6 | Very high | 96 Ų | 96 | 106.4 Ų | 106.4 | 45% | 0.449 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 175.6 | -75 | -178.4 | -7.9 | 0 | 0 | 112.1 | K153 F154 C155 T161 | K153-Q157 WeakPolarHBondContact O-CG 3.44Å; K153-Q157 PolarHBondContact O-N 3.42Å; K153-Q157 VanDerWaalsContact O-N 3.13Å; F154-Q157 WeakPolarHBondContact O-CB 3.5Å; F154-Q157 PolarHBondContact O-N 2.9Å; F154-Q157 VanDerWaalsContact O-N 3.16Å; C155-Q157 PolarHBondContact O-N 3.48Å; Q157-T161 WeakPolarHBondContact O-CB 3.34Å; Q157-T161 PolarHBondContact O-N 3.07Å; Q157-T161 PolarHBondContact O-OG1 3.09Å |
| 158 | Y | 98.7 | Very high | 98.6 | Very high | 147 Ų | 147 | 103 Ų | 103 | 58% | 0.576 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.1 | -50.1 | 175.9 | -80.5 | -64.7 | 0 | 0 | 0 | 111.2 | F154 C155 T160 T161 F162 | F154-Y158 HydrophobicContact CB-CD2 4.45Å; F154-Y158 HydrophobicContact CB-CE2 4.36Å; F154-Y158 WeakPolarHBondContact O-CD2 3.3Å; F154-Y158 PolarHBondContact O-N 2.98Å; C155-Y158 PolarHBondContact O-N 3.33Å; Y158-T160 VanDerWaalsContact C-N 3.32Å; Y158-T160 PolarHBondContact O-N 2.9Å; Y158-T161 PolarHBondContact O-N 3.4Å; Y158-T161 VanDerWaalsContact O-N 3.11Å; Y158-F162 HydrophobicContact CD1-CE2 4.12Å; Y158-F162 WeakPolarHBondContact O-CD2 3.36Å; Y158-F162 PolarHBondContact O-N 3.41Å |
| 159 | I | 98.7 | Very high | 98.6 | Very high | 94 Ų | 94 | 100 Ų | 100 | 48% | 0.482 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -56.2 | -49 | 178.8 | -69.7 | 165.2 | 0 | 0 | 0 | 110.4 | C155 E156 T161 F162 Q163 | C155-I159 WeakPolarHBondContact O-CB 3.46Å; C155-I159 VanDerWaalsContact O-CG1 3.23Å; C155-I159 WeakPolarHBondContact O-CG1 3.1Å; C155-I159 PolarHBondContact O-N 3.35Å; E156-I159 PolarHBondContact O-N 3.11Å; I159-T161 VanDerWaalsContact C-N 3.28Å; I159-T161 PolarHBondContact O-N 2.96Å; I159-F162 PolarHBondContact O-N 2.74Å; I159-Q163 HydrophobicContact CG2-CG 4.41Å; I159-Q163 WeakPolarHBondContact O-CB 3.09Å; I159-Q163 VanDerWaalsContact O-CG 3.3Å; I159-Q163 WeakPolarHBondContact O-CG 3.44Å; I159-Q163 PolarHBondContact O-N 3.12Å |
| 160 | T | 98.6 | Very high | 98.6 | Very high | 62 Ų | 62 | 100.2 Ų | 100.2 | 38% | 0.38 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 179.2 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | E156 Y158 K164 | E156-T160 WeakPolarHBondContact O-CB 3.29Å; E156-T160 PolarHBondContact O-N 2.94Å; E156-T160 PolarHBondContact O-OG1 3.18Å; Y158-T160 VanDerWaalsContact C-N 3.32Å; Y158-T160 PolarHBondContact O-N 2.9Å; T160-K164 HydrophobicContact CG2-CD 4.43Å; T160-K164 WeakPolarHBondContact O-CG 3.33Å; T160-K164 PolarHBondContact O-N 2.88Å; T160-K164 VanDerWaalsContact O-N 3.1Å |
| 161 | T | 98.5 | Very high | 98.6 | Very high | 89 Ų | 89 | 101.8 Ų | 101.8 | 55% | 0.546 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.1 | -44.9 | 179.4 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | Q157 Y158 I159 K164 S165 | Q157-T161 WeakPolarHBondContact O-CB 3.34Å; Q157-T161 PolarHBondContact O-N 3.07Å; Q157-T161 PolarHBondContact O-OG1 3.09Å; Y158-T161 PolarHBondContact O-N 3.4Å; Y158-T161 VanDerWaalsContact O-N 3.11Å; I159-T161 VanDerWaalsContact C-N 3.28Å; I159-T161 PolarHBondContact O-N 2.96Å; T161-K164 PolarHBondContact O-N 2.84Å; T161-S165 PolarHBondContact O-N 3.12Å |
| 162 | F | 98.7 | Very high | 98.6 | Very high | 128 Ų | 128 | 103.3 Ų | 103.3 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.9 | -43.7 | 176.9 | -73.6 | -60.9 | 0 | 0 | 0 | 112 | Y158 I159 K164 S165 D166 | Y158-F162 HydrophobicContact CD1-CE2 4.12Å; Y158-F162 WeakPolarHBondContact O-CD2 3.36Å; Y158-F162 PolarHBondContact O-N 3.41Å; I159-F162 PolarHBondContact O-N 2.74Å; F162-K164 VanDerWaalsContact C-N 3.31Å; F162-K164 PolarHBondContact O-N 2.97Å; F162-S165 WeakPolarHBondContact O-CA 3.36Å; F162-S165 WeakPolarHBondContact O-CB 3.5Å; F162-S165 PolarHBondContact O-N 3.07Å; F162-S165 VanDerWaalsContact O-N 3.07Å; F162-D166 VanDerWaalsContact O-CG 3.3Å; F162-D166 PolarHBondContact O-N 3.02Å |
| 163 | Q | 98.7 | Very high | 98.6 | Very high | 113 Ų | 113 | 103.4 Ų | 103.4 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.1 | -42.6 | 175.2 | -73.8 | 174.3 | -18 | 0 | 0 | 112.3 | I159 D166 M167 | I159-Q163 HydrophobicContact CG2-CG 4.41Å; I159-Q163 WeakPolarHBondContact O-CB 3.09Å; I159-Q163 VanDerWaalsContact O-CG 3.3Å; I159-Q163 WeakPolarHBondContact O-CG 3.44Å; I159-Q163 PolarHBondContact O-N 3.12Å; Q163-D166 PolarHBondContact O-N 3.44Å; Q163-M167 VanDerWaalsContact O-CG 3.29Å; Q163-M167 WeakPolarHBondContact O-CG 3.49Å; Q163-M167 PolarHBondContact O-N 3.24Å |
| 164 | K | 98.6 | Very high | 98.6 | Very high | 136 Ų | 136 | 102.5 Ų | 102.5 | 59% | 0.591 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.3 | -42.3 | 174.6 | -75.1 | 174.5 | -178.4 | 177.4 | 0 | 112.1 | T160 T161 F162 M167 V168 | T160-K164 HydrophobicContact CG2-CD 4.43Å; T160-K164 WeakPolarHBondContact O-CG 3.33Å; T160-K164 PolarHBondContact O-N 2.88Å; T160-K164 VanDerWaalsContact O-N 3.1Å; T161-K164 PolarHBondContact O-N 2.84Å; F162-K164 VanDerWaalsContact C-N 3.31Å; F162-K164 PolarHBondContact O-N 2.97Å; K164-M167 PolarHBondContact O-N 3.13Å; K164-V168 WeakPolarHBondContact O-CG2 3.38Å; K164-V168 PolarHBondContact O-N 3.35Å; K164-V168 VanDerWaalsContact O-N 3.09Å |
| 165 | S | 98.7 | Very high | 98.6 | Very high | 63 Ų | 63 | 104.4 Ų | 104.4 | 44% | 0.441 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -47.6 | 176.3 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | T161 F162 M167 V168 V169 | T161-S165 PolarHBondContact O-N 3.12Å; F162-S165 WeakPolarHBondContact O-CA 3.36Å; F162-S165 WeakPolarHBondContact O-CB 3.5Å; F162-S165 PolarHBondContact O-N 3.07Å; F162-S165 VanDerWaalsContact O-N 3.07Å; S165-M167 VanDerWaalsContact C-N 3.33Å; S165-M167 PolarHBondContact O-N 3.04Å; S165-V168 PolarHBondContact O-N 3.02Å; S165-V168 VanDerWaalsContact O-N 3.12Å; S165-V169 WeakPolarHBondContact O-CG2 3.45Å; S165-V169 PolarHBondContact O-N 3.44Å |
| 166 | D | 98.6 | Very high | 98.6 | Very high | 104 Ų | 104 | 107.6 Ų | 107.6 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.6 | -42 | 179.2 | -67.3 | -20.4 | 0 | 0 | 0 | 111.6 | F162 Q163 V168 V169 Q170 | F162-D166 VanDerWaalsContact O-CG 3.3Å; F162-D166 PolarHBondContact O-N 3.02Å; Q163-D166 PolarHBondContact O-N 3.44Å; D166-V168 VanDerWaalsContact C-N 3.32Å; D166-V168 PolarHBondContact O-N 3.46Å; D166-V169 PolarHBondContact O-N 3.35Å; D166-Q170 PolarHBondContact O-N 2.94Å |
| 167 | M | 98.6 | Very high | 98.6 | Very high | 106 Ų | 106 | 107.4 Ų | 107.4 | 52% | 0.522 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 174.5 | -74.2 | 178.9 | 67.8 | 0 | 0 | 112.6 | Q163 K164 S165 K171 | Q163-M167 VanDerWaalsContact O-CG 3.29Å; Q163-M167 WeakPolarHBondContact O-CG 3.49Å; Q163-M167 PolarHBondContact O-N 3.24Å; K164-M167 PolarHBondContact O-N 3.13Å; S165-M167 VanDerWaalsContact C-N 3.33Å; S165-M167 PolarHBondContact O-N 3.04Å; M167-K171 WeakPolarHBondContact O-CG 3.5Å; M167-K171 PolarHBondContact O-N 3.44Å; M167-K171 VanDerWaalsContact O-N 3.07Å |
| 168 | V | 98.5 | Very high | 98.6 | Very high | 98 Ų | 98 | 110.7 Ų | 110.7 | 59% | 0.594 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.4 | -42.3 | 176.7 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | K164 S165 D166 Q170 K171 F172 | K164-V168 WeakPolarHBondContact O-CG2 3.38Å; K164-V168 PolarHBondContact O-N 3.35Å; K164-V168 VanDerWaalsContact O-N 3.09Å; S165-V168 PolarHBondContact O-N 3.02Å; S165-V168 VanDerWaalsContact O-N 3.12Å; D166-V168 VanDerWaalsContact C-N 3.32Å; D166-V168 PolarHBondContact O-N 3.46Å; V168-Q170 VanDerWaalsContact C-N 3.34Å; V168-Q170 PolarHBondContact O-N 3.1Å; V168-K171 PolarHBondContact O-N 3.38Å; V168-F172 WeakPolarHBondContact O-CB 3.4Å; V168-F172 PolarHBondContact O-N 2.93Å |
| 169 | V | 98.7 | Very high | 98.6 | Very high | 74 Ų | 74 | 107.4 Ų | 107.4 | 45% | 0.448 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 176 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | S165 D166 F172 N173 | S165-V169 WeakPolarHBondContact O-CG2 3.45Å; S165-V169 PolarHBondContact O-N 3.44Å; D166-V169 PolarHBondContact O-N 3.35Å; V169-F172 PolarHBondContact O-N 3.38Å; V169-N173 PolarHBondContact O-N 3.1Å; V169-N173 PolarHBondContact O-ND2 3.11Å |
| 170 | Q | 98.7 | Very high | 98.6 | Very high | 116 Ų | 116 | 106.8 Ų | 106.8 | 54% | 0.542 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.9 | -50.1 | 176.5 | -174.6 | -177.6 | -12.5 | 0 | 0 | 111.5 | D166 V168 F172 N173 E174 | D166-Q170 PolarHBondContact O-N 2.94Å; V168-Q170 VanDerWaalsContact C-N 3.34Å; V168-Q170 PolarHBondContact O-N 3.1Å; Q170-F172 VanDerWaalsContact C-N 3.31Å; Q170-F172 PolarHBondContact O-N 3.48Å; Q170-N173 WeakPolarHBondContact O-CB 3.39Å; Q170-N173 PolarHBondContact O-N 3.49Å; Q170-N173 VanDerWaalsContact O-N 3.1Å; Q170-E174 PolarHBondContact NE2-OE1 2.99Å; Q170-E174 WeakPolarHBondContact O-CG 3.17Å; Q170-E174 PolarHBondContact O-N 2.78Å |
| 171 | K | 98.6 | Very high | 98.6 | Very high | 131 Ų | 131 | 107.3 Ų | 107.3 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.1 | -41.8 | 177.5 | -74 | 178 | 179.7 | -175.4 | 0 | 112.5 | M167 V168 N173 E174 E175 | M167-K171 WeakPolarHBondContact O-CG 3.5Å; M167-K171 PolarHBondContact O-N 3.44Å; M167-K171 VanDerWaalsContact O-N 3.07Å; V168-K171 PolarHBondContact O-N 3.38Å; K171-N173 VanDerWaalsContact C-N 3.31Å; K171-N173 PolarHBondContact O-N 3.39Å; K171-E174 PolarHBondContact O-N 3.27Å; K171-E175 PolarHBondContact O-N 3.49Å |
| 172 | F | 98.6 | Very high | 98.6 | Very high | 127 Ų | 127 | 106.5 Ų | 106.5 | 56% | 0.557 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.2 | -41.1 | 175.8 | 174.7 | -99.2 | 0 | 0 | 0 | 111.8 | V168 V169 Q170 E175 K176 | V168-F172 WeakPolarHBondContact O-CB 3.4Å; V168-F172 PolarHBondContact O-N 2.93Å; V169-F172 PolarHBondContact O-N 3.38Å; Q170-F172 VanDerWaalsContact C-N 3.31Å; Q170-F172 PolarHBondContact O-N 3.48Å; F172-E175 PolarHBondContact O-N 3.32Å; F172-K176 HydrophobicContact CE1-CD 4.31Å; F172-K176 VanDerWaalsContact O-CB 3.23Å; F172-K176 WeakPolarHBondContact O-CB 3.46Å; F172-K176 PolarHBondContact O-N 3.1Å |
| 173 | N | 98.7 | Very high | 98.6 | Very high | 77 Ų | 77 | 104.2 Ų | 104.2 | 41% | 0.412 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 177.6 | -75.2 | -28 | 0 | 0 | 0 | 112.4 | V169 Q170 K171 K176 E177 | V169-N173 PolarHBondContact O-N 3.1Å; V169-N173 PolarHBondContact O-ND2 3.11Å; Q170-N173 WeakPolarHBondContact O-CB 3.39Å; Q170-N173 PolarHBondContact O-N 3.49Å; Q170-N173 VanDerWaalsContact O-N 3.1Å; K171-N173 VanDerWaalsContact C-N 3.31Å; K171-N173 PolarHBondContact O-N 3.39Å; N173-K176 PolarHBondContact O-N 2.94Å; N173-E177 WeakPolarHBondContact O-CB 3.49Å; N173-E177 PolarHBondContact O-N 3.39Å |
| 174 | E | 98.6 | Very high | 98.6 | Very high | 107 Ų | 107 | 103.8 Ų | 103.8 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 174.7 | -69.5 | 169.5 | -167.9 | 0 | 0 | 111.6 | Q170 K171 E177 K178 | Q170-E174 PolarHBondContact NE2-OE1 2.99Å; Q170-E174 WeakPolarHBondContact O-CG 3.17Å; Q170-E174 PolarHBondContact O-N 2.78Å; K171-E174 PolarHBondContact O-N 3.27Å; E174-E177 PolarHBondContact O-N 3.43Å; E174-K178 PolarHBondContact O-N 2.97Å; E174-K178 VanDerWaalsContact O-N 3.1Å |
| 175 | E | 98.5 | Very high | 98.6 | Very high | 144 Ų | 144 | 104.6 Ų | 104.6 | 67% | 0.673 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.3 | -41.2 | 176.7 | -174 | 173 | -169.2 | 0 | 0 | 112 | K171 F172 E177 K178 S179 | K171-E175 PolarHBondContact O-N 3.49Å; F172-E175 PolarHBondContact O-N 3.32Å; E175-E177 PolarHBondContact O-N 2.91Å; E175-K178 PolarHBondContact O-N 3.29Å; E175-S179 PolarHBondContact O-N 3.15Å |
| 176 | K | 98.5 | Very high | 98.6 | Very high | 118 Ų | 118 | 108.1 Ų | 108.1 | 51% | 0.513 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 174.8 | 177.6 | -178.2 | 173.1 | 178.5 | 0 | 111.3 | F172 N173 K178 S179 V180 | F172-K176 HydrophobicContact CE1-CD 4.31Å; F172-K176 VanDerWaalsContact O-CB 3.23Å; F172-K176 WeakPolarHBondContact O-CB 3.46Å; F172-K176 PolarHBondContact O-N 3.1Å; N173-K176 PolarHBondContact O-N 2.94Å; K176-K178 VanDerWaalsContact C-N 3.35Å; K176-K178 PolarHBondContact O-N 2.98Å; K176-S179 PolarHBondContact O-N 3.29Å; K176-V180 WeakPolarHBondContact O-CG2 3.34Å; K176-V180 PolarHBondContact O-N 3.43Å |
| 177 | E | 98.6 | Very high | 98.6 | Very high | 126 Ų | 126 | 108.3 Ų | 108.3 | 59% | 0.589 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.2 | -44.1 | 178.2 | -174.7 | -179.8 | 176 | 0 | 0 | 111.4 | N173 E174 E175 S179 V180 N181 | N173-E177 WeakPolarHBondContact O-CB 3.49Å; N173-E177 PolarHBondContact O-N 3.39Å; E174-E177 PolarHBondContact O-N 3.43Å; E175-E177 PolarHBondContact O-N 2.91Å; E177-S179 VanDerWaalsContact C-N 3.31Å; E177-S179 PolarHBondContact O-N 3.49Å; E177-V180 PolarHBondContact O-N 3.37Å; E177-N181 WeakPolarHBondContact O-CB 3.23Å; E177-N181 PolarHBondContact O-N 2.87Å; E177-N181 PolarHBondContact O-ND2 3.29Å |
| 178 | K | 98.4 | Very high | 98.6 | Very high | 164 Ų | 164 | 108.4 Ų | 108.4 | 71% | 0.713 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -58.5 | -43.3 | 175.2 | -173.4 | -179.6 | 178.8 | -176.5 | 0 | 112 | E174 E175 K176 N181 S182 | E174-K178 PolarHBondContact O-N 2.97Å; E174-K178 VanDerWaalsContact O-N 3.1Å; E175-K178 PolarHBondContact O-N 3.29Å; K176-K178 VanDerWaalsContact C-N 3.35Å; K176-K178 PolarHBondContact O-N 2.98Å; K178-N181 PolarHBondContact O-N 3.44Å; K178-S182 PolarHBondContact O-N 2.93Å |
| 179 | S | 98.3 | Very high | 98.6 | Very high | 79 Ų | 79 | 106.5 Ų | 106.5 | 55% | 0.552 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.5 | -44.9 | 177.4 | -175.5 | 0 | 0 | 0 | 0 | 112.2 | E175 K176 E177 N181 S182 C183 | E175-S179 PolarHBondContact O-N 3.15Å; K176-S179 PolarHBondContact O-N 3.29Å; E177-S179 VanDerWaalsContact C-N 3.31Å; E177-S179 PolarHBondContact O-N 3.49Å; S179-N181 VanDerWaalsContact C-N 3.35Å; S179-N181 PolarHBondContact O-N 3.46Å; S179-S182 PolarHBondContact O-N 3.24Å; S179-C183 WeakPolarHBondContact O-CB 3.39Å; S179-C183 PolarHBondContact O-N 3.4Å |
| 180 | V | 98.7 | Very high | 98.5 | Very high | 81 Ų | 81 | 108.7 Ų | 108.7 | 49% | 0.491 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 175.7 | 169.9 | 0 | 0 | 0 | 0 | 111 | K176 E177 S182 C183 Q184 | K176-V180 WeakPolarHBondContact O-CG2 3.34Å; K176-V180 PolarHBondContact O-N 3.43Å; E177-V180 PolarHBondContact O-N 3.37Å; V180-S182 VanDerWaalsContact C-N 3.33Å; V180-S182 PolarHBondContact O-N 2.91Å; V180-C183 PolarHBondContact O-N 3.21Å; V180-Q184 PolarHBondContact O-N 3.01Å |
| 181 | N | 98.6 | Very high | 98.5 | Very high | 72 Ų | 72 | 109.6 Ų | 109.6 | 39% | 0.385 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 177.8 | -74.5 | -30.8 | 0 | 0 | 0 | 112.3 | E177 K178 S179 K185 | E177-N181 WeakPolarHBondContact O-CB 3.23Å; E177-N181 PolarHBondContact O-N 2.87Å; E177-N181 PolarHBondContact O-ND2 3.29Å; K178-N181 PolarHBondContact O-N 3.44Å; S179-N181 VanDerWaalsContact C-N 3.35Å; S179-N181 PolarHBondContact O-N 3.46Å; N181-K185 WeakPolarHBondContact O-CG 3.43Å; N181-K185 PolarHBondContact O-N 2.94Å; N181-K185 VanDerWaalsContact O-N 3.15Å |
| 182 | S | 98.5 | Very high | 98.5 | Very high | 73 Ų | 73 | 109.6 Ų | 109.6 | 51% | 0.51 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.6 | -46.4 | 175.1 | -167 | 0 | 0 | 0 | 0 | 111.7 | K178 S179 V180 Q184 K185 E186 | K178-S182 PolarHBondContact O-N 2.93Å; S179-S182 PolarHBondContact O-N 3.24Å; V180-S182 VanDerWaalsContact C-N 3.33Å; V180-S182 PolarHBondContact O-N 2.91Å; S182-Q184 VanDerWaalsContact C-N 3.31Å; S182-Q184 PolarHBondContact O-N 3.38Å; S182-K185 PolarHBondContact O-N 3.4Å; S182-E186 PolarHBondContact O-N 2.93Å |
| 183 | C | 98.3 | Very high | 98.5 | Very high | 79 Ų | 79 | 107 Ų | 107 | 53% | 0.534 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60 | -40.7 | 177.6 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | S179 V180 E186 Q187 | S179-C183 WeakPolarHBondContact O-CB 3.39Å; S179-C183 PolarHBondContact O-N 3.4Å; V180-C183 PolarHBondContact O-N 3.21Å; C183-E186 PolarHBondContact O-N 3.2Å; C183-Q187 WeakPolarHBondContact O-CB 3.44Å; C183-Q187 PolarHBondContact O-N 3.06Å |
| 184 | Q | 98.7 | Very high | 98.5 | Very high | 104 Ų | 104 | 109.8 Ų | 109.8 | 49% | 0.486 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.7 | -42.9 | 176 | -175.9 | 177.6 | -12.7 | 0 | 0 | 112.2 | V180 S182 Q187 Q188 | V180-Q184 PolarHBondContact O-N 3.01Å; S182-Q184 VanDerWaalsContact C-N 3.31Å; S182-Q184 PolarHBondContact O-N 3.38Å; Q184-Q187 PolarHBondContact O-N 2.87Å; Q184-Q188 WeakPolarHBondContact O-CG 3.35Å; Q184-Q188 PolarHBondContact O-N 3.36Å |
| 185 | K | 98.6 | Very high | 98.5 | Very high | 153 Ų | 153 | 107.8 Ų | 107.8 | 67% | 0.665 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.5 | -43.8 | 175.5 | -72.9 | 176.3 | -178.9 | -179 | 0 | 111.5 | N181 S182 Q188 A189 | N181-K185 WeakPolarHBondContact O-CG 3.43Å; N181-K185 PolarHBondContact O-N 2.94Å; N181-K185 VanDerWaalsContact O-N 3.15Å; S182-K185 PolarHBondContact O-N 3.4Å; K185-Q188 PolarHBondContact O-N 3.34Å; K185-A189 PolarHBondContact O-N 2.95Å |
| 186 | E | 98.3 | Very high | 98.5 | Very high | 138 Ų | 138 | 104 Ų | 104 | 65% | 0.645 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.8 | -42.4 | 176.7 | -173.1 | 175.2 | -179.9 | 0 | 0 | 111.6 | S182 C183 Q188 A189 L190 | S182-E186 PolarHBondContact O-N 2.93Å; C183-E186 PolarHBondContact O-N 3.2Å; E186-Q188 VanDerWaalsContact C-N 3.3Å; E186-Q188 PolarHBondContact O-N 3.26Å; E186-A189 PolarHBondContact O-N 3.25Å; E186-L190 WeakPolarHBondContact O-CB 3.39Å; E186-L190 PolarHBondContact O-N 3.5Å |
| 187 | Q | 98.7 | Very high | 98.5 | Very high | 108 Ų | 108 | 104.7 Ų | 104.7 | 51% | 0.505 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.6 | -39.5 | 175.4 | -170.3 | -172.8 | 71.9 | 0 | 0 | 112 | C183 Q184 K191 | C183-Q187 WeakPolarHBondContact O-CB 3.44Å; C183-Q187 PolarHBondContact O-N 3.06Å; Q184-Q187 PolarHBondContact O-N 2.87Å; Q187-K191 WeakPolarHBondContact O-CG 3.41Å; Q187-K191 PolarHBondContact O-N 3.07Å; Q187-K191 VanDerWaalsContact O-N 3.13Å |
| 188 | Q | 98.7 | Very high | 98.5 | Very high | 108 Ų | 108 | 102.9 Ų | 102.9 | 51% | 0.505 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.8 | -45.5 | 175.5 | -72.5 | 178.2 | -7.6 | 0 | 0 | 111.8 | Q184 K185 E186 L190 K191 L192 | Q184-Q188 WeakPolarHBondContact O-CG 3.35Å; Q184-Q188 PolarHBondContact O-N 3.36Å; K185-Q188 PolarHBondContact O-N 3.34Å; E186-Q188 VanDerWaalsContact C-N 3.3Å; E186-Q188 PolarHBondContact O-N 3.26Å; Q188-L190 VanDerWaalsContact C-N 3.32Å; Q188-L190 PolarHBondContact O-N 3.42Å; Q188-K191 PolarHBondContact O-N 3.37Å; Q188-L192 PolarHBondContact O-N 3.5Å |
| 189 | A | 98.5 | Very high | 98.5 | Very high | 58 Ų | 58 | 101.1 Ų | 101.1 | 48% | 0.479 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K185 E186 K191 L192 S193 | K185-A189 PolarHBondContact O-N 2.95Å; E186-A189 PolarHBondContact O-N 3.25Å; A189-K191 PolarHBondContact O-N 2.87Å; A189-L192 PolarHBondContact O-N 3.06Å; A189-S193 WeakPolarHBondContact O-CB 3.4Å; A189-S193 PolarHBondContact O-N 3.13Å |
| 190 | L | 98.6 | Very high | 98.5 | Very high | 120 Ų | 120 | 101.4 Ų | 101.4 | 63% | 0.628 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 177.4 | -176.1 | 63.6 | 0 | 0 | 0 | 112.2 | E186 Q188 S193 K194 | E186-L190 WeakPolarHBondContact O-CB 3.39Å; E186-L190 PolarHBondContact O-N 3.5Å; Q188-L190 VanDerWaalsContact C-N 3.32Å; Q188-L190 PolarHBondContact O-N 3.42Å; L190-S193 PolarHBondContact O-N 2.95Å; L190-K194 WeakPolarHBondContact O-CB 3.45Å; L190-K194 PolarHBondContact O-N 3.21Å |
| 191 | K | 98.5 | Very high | 98.5 | Very high | 135 Ų | 135 | 101.8 Ų | 101.8 | 59% | 0.587 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.3 | -45 | 175.7 | -76.3 | 172.9 | 179.3 | 172.6 | 0 | 111.7 | Q187 Q188 A189 K194 C195 | Q187-K191 WeakPolarHBondContact O-CG 3.41Å; Q187-K191 PolarHBondContact O-N 3.07Å; Q187-K191 VanDerWaalsContact O-N 3.13Å; Q188-K191 PolarHBondContact O-N 3.37Å; A189-K191 PolarHBondContact O-N 2.87Å; K191-K194 PolarHBondContact O-N 2.92Å; K191-C195 PolarHBondContact O-N 3.25Å |
| 192 | L | 98.3 | Very high | 98.5 | Very high | 131 Ų | 131 | 103.6 Ų | 103.6 | 69% | 0.686 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.3 | -46.2 | 177.9 | -71.2 | 173.9 | 0 | 0 | 0 | 111.8 | Q188 A189 K194 C195 S196 | Q188-L192 PolarHBondContact O-N 3.5Å; A189-L192 PolarHBondContact O-N 3.06Å; L192-K194 VanDerWaalsContact C-N 3.35Å; L192-K194 PolarHBondContact O-N 3.28Å; L192-C195 WeakPolarHBondContact O-CB 3.41Å; L192-C195 PolarHBondContact O-N 2.87Å; L192-S196 PolarHBondContact O-N 2.99Å |
| 193 | S | 98.5 | Very high | 98.5 | Very high | 72 Ų | 72 | 102.7 Ų | 102.7 | 50% | 0.503 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -57.6 | -47 | 177.1 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | A189 L190 C195 S196 Q197 | A189-S193 WeakPolarHBondContact O-CB 3.4Å; A189-S193 PolarHBondContact O-N 3.13Å; L190-S193 PolarHBondContact O-N 2.95Å; S193-C195 VanDerWaalsContact C-N 3.35Å; S193-C195 PolarHBondContact O-N 3.44Å; S193-S196 PolarHBondContact O-N 3.48Å; S193-Q197 WeakPolarHBondContact O-CB 3.5Å; S193-Q197 PolarHBondContact O-N 3.41Å |
| 194 | K | 98.6 | Very high | 98.5 | Very high | 135 Ų | 135 | 102.9 Ų | 102.9 | 59% | 0.587 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.1 | -40.3 | 177.2 | -172.2 | 174.3 | -177.7 | 176.4 | 0 | 112.6 | L190 K191 L192 N198 | L190-K194 WeakPolarHBondContact O-CB 3.45Å; L190-K194 PolarHBondContact O-N 3.21Å; K191-K194 PolarHBondContact O-N 2.92Å; L192-K194 VanDerWaalsContact C-N 3.35Å; L192-K194 PolarHBondContact O-N 3.28Å; K194-N198 WeakPolarHBondContact O-CB 3.44Å; K194-N198 VanDerWaalsContact O-CG 3.23Å; K194-N198 PolarHBondContact O-N 3.25Å; K194-N198 PolarHBondContact O-ND2 3.05Å |
| 195 | C | 98.5 | Very high | 98.5 | Very high | 65 Ų | 65 | 103.1 Ų | 103.1 | 44% | 0.439 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 176.1 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | K191 L192 S193 N198 Q199 | K191-C195 PolarHBondContact O-N 3.25Å; L192-C195 WeakPolarHBondContact O-CB 3.41Å; L192-C195 PolarHBondContact O-N 2.87Å; S193-C195 VanDerWaalsContact C-N 3.35Å; S193-C195 PolarHBondContact O-N 3.44Å; C195-N198 PolarHBondContact O-N 3.03Å; C195-Q199 WeakPolarHBondContact O-CG 3.4Å; C195-Q199 PolarHBondContact O-N 3.13Å |
| 196 | S | 98 | Very high | 98.5 | Very high | 64 Ų | 64 | 100.6 Ų | 100.6 | 45% | 0.448 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 177.6 | 177.9 | 0 | 0 | 0 | 0 | 112.3 | L192 S193 N198 Q199 T200 | L192-S196 PolarHBondContact O-N 2.99Å; S193-S196 PolarHBondContact O-N 3.48Å; S196-N198 VanDerWaalsContact C-N 3.33Å; S196-N198 PolarHBondContact O-N 3.43Å; S196-Q199 PolarHBondContact O-N 3.44Å; S196-T200 PolarHBondContact O-N 2.99Å; S196-T200 PolarHBondContact O-OG1 3.38Å; S196-T200 VanDerWaalsContact O-OG1 3.13Å |
| 197 | Q | 98.5 | Very high | 98.5 | Very high | 134 Ų | 134 | 100.6 Ų | 100.6 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.7 | -42.9 | 176.5 | -173.3 | -178.9 | 20.6 | 0 | 0 | 111.8 | S193 T200 L201 | S193-Q197 WeakPolarHBondContact O-CB 3.5Å; S193-Q197 PolarHBondContact O-N 3.41Å; Q197-T200 PolarHBondContact O-N 3.34Å; Q197-L201 WeakPolarHBondContact O-CB 3.39Å; Q197-L201 PolarHBondContact O-N 2.95Å |
| 198 | N | 98.6 | Very high | 98.4 | Very high | 88 Ų | 88 | 101.3 Ų | 101.3 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 177.1 | -74.6 | -14.2 | 0 | 0 | 0 | 112 | K194 C195 S196 L201 E202 | K194-N198 WeakPolarHBondContact O-CB 3.44Å; K194-N198 VanDerWaalsContact O-CG 3.23Å; K194-N198 PolarHBondContact O-N 3.25Å; K194-N198 PolarHBondContact O-ND2 3.05Å; C195-N198 PolarHBondContact O-N 3.03Å; S196-N198 VanDerWaalsContact C-N 3.33Å; S196-N198 PolarHBondContact O-N 3.43Å; N198-L201 PolarHBondContact O-N 3.31Å; N198-E202 WeakPolarHBondContact O-CB 3.46Å; N198-E202 PolarHBondContact O-N 3.22Å |
| 199 | Q | 98.3 | Very high | 98.4 | Very high | 127 Ų | 127 | 102.9 Ų | 102.9 | 59% | 0.593 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.9 | -45.8 | 175.4 | -72.5 | 172.8 | -19.6 | 0 | 0 | 111.7 | C195 S196 L201 E202 A203 | C195-Q199 WeakPolarHBondContact O-CG 3.4Å; C195-Q199 PolarHBondContact O-N 3.13Å; S196-Q199 PolarHBondContact O-N 3.44Å; Q199-L201 VanDerWaalsContact C-N 3.34Å; Q199-L201 PolarHBondContact O-N 2.91Å; Q199-E202 PolarHBondContact O-N 3.4Å; Q199-A203 PolarHBondContact O-N 3.42Å |
| 200 | T | 98.3 | Very high | 98.4 | Very high | 85 Ų | 85 | 105.3 Ų | 105.3 | 52% | 0.521 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 176.7 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | S196 Q197 E202 A203 V204 | S196-T200 PolarHBondContact O-N 2.99Å; S196-T200 PolarHBondContact O-OG1 3.38Å; S196-T200 VanDerWaalsContact O-OG1 3.13Å; Q197-T200 PolarHBondContact O-N 3.34Å; T200-E202 VanDerWaalsContact C-N 3.3Å; T200-E202 PolarHBondContact O-N 3.22Å; T200-A203 PolarHBondContact O-N 3.01Å; T200-V204 WeakPolarHBondContact O-CG2 3.43Å; T200-V204 PolarHBondContact O-N 3.03Å |
| 201 | L | 98.4 | Very high | 98.4 | Very high | 89 Ų | 89 | 102.6 Ų | 102.6 | 47% | 0.466 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 176.1 | 177.9 | 62.3 | 0 | 0 | 0 | 111.4 | Q197 N198 Q199 V204 K205 | Q197-L201 WeakPolarHBondContact O-CB 3.39Å; Q197-L201 PolarHBondContact O-N 2.95Å; N198-L201 PolarHBondContact O-N 3.31Å; Q199-L201 VanDerWaalsContact C-N 3.34Å; Q199-L201 PolarHBondContact O-N 2.91Å; L201-V204 PolarHBondContact O-N 3.03Å; L201-K205 WeakPolarHBondContact O-CG 3.5Å; L201-K205 PolarHBondContact O-N 2.97Å |
| 202 | E | 98.6 | Very high | 98.4 | Very high | 109 Ų | 109 | 101.1 Ų | 101.1 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66 | -41.9 | 179.2 | -159.7 | 64.9 | -177 | 0 | 0 | 112.1 | N198 Q199 T200 V204 K205 E206 | N198-E202 WeakPolarHBondContact O-CB 3.46Å; N198-E202 PolarHBondContact O-N 3.22Å; Q199-E202 PolarHBondContact O-N 3.4Å; T200-E202 VanDerWaalsContact C-N 3.3Å; T200-E202 PolarHBondContact O-N 3.22Å; E202-V204 VanDerWaalsContact C-N 3.32Å; E202-V204 PolarHBondContact O-N 3.43Å; E202-K205 PolarHBondContact O-N 3Å; E202-K205 IonicContact OE2-NZ 2.63Å; E202-K205 PolarHBondContact OE2-NZ 3.48Å; E202-K205 VanDerWaalsContact OE2-NZ 3.15Å; E202-E206 PolarHBondContact O-N 3.47Å |
| 203 | A | 98.4 | Very high | 98.3 | Very high | 55 Ų | 55 | 100 Ų | 100 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.7 | -38.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q199 T200 E206 M207 | Q199-A203 PolarHBondContact O-N 3.42Å; T200-A203 PolarHBondContact O-N 3.01Å; A203-E206 PolarHBondContact O-N 3.15Å; A203-M207 WeakPolarHBondContact O-CB 3.37Å; A203-M207 PolarHBondContact O-N 3.35Å |
| 204 | V | 98.5 | Very high | 98.3 | Very high | 83 Ų | 83 | 101.3 Ų | 101.3 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 175.8 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | T200 L201 E202 M207 H208 | T200-V204 WeakPolarHBondContact O-CG2 3.43Å; T200-V204 PolarHBondContact O-N 3.03Å; L201-V204 PolarHBondContact O-N 3.03Å; E202-V204 VanDerWaalsContact C-N 3.32Å; E202-V204 PolarHBondContact O-N 3.43Å; V204-M207 PolarHBondContact O-N 3.43Å; V204-H208 WeakPolarHBondContact O-CB 3.28Å; V204-H208 PolarHBondContact O-N 3.03Å |
| 205 | K | 98.4 | Very high | 98.3 | Very high | 108 Ų | 108 | 99.7 Ų | 99.7 | 47% | 0.47 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 175.6 | -72.4 | 176.2 | -171 | 164.5 | 0 | 111.6 | L201 E202 M207 H208 E209 | L201-K205 WeakPolarHBondContact O-CG 3.5Å; L201-K205 PolarHBondContact O-N 2.97Å; E202-K205 PolarHBondContact O-N 3Å; E202-K205 IonicContact OE2-NZ 2.63Å; E202-K205 PolarHBondContact OE2-NZ 3.48Å; E202-K205 VanDerWaalsContact OE2-NZ 3.15Å; K205-M207 VanDerWaalsContact C-N 3.31Å; K205-M207 PolarHBondContact O-N 2.93Å; K205-H208 PolarHBondContact O-N 3.42Å; K205-E209 PolarHBondContact O-N 2.63Å |
| 206 | E | 98.5 | Very high | 98.2 | Very high | 101 Ų | 101 | 102.5 Ų | 102.5 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 178.3 | -171.1 | -170 | 161 | 0 | 0 | 111.3 | E202 A203 E209 K210 | E202-E206 PolarHBondContact O-N 3.47Å; A203-E206 PolarHBondContact O-N 3.15Å; E206-E209 PolarHBondContact O-N 3.18Å; E206-K210 WeakPolarHBondContact O-CG 3.36Å; E206-K210 PolarHBondContact O-N 2.96Å; E206-K210 VanDerWaalsContact OE1-CE 3.28Å; E206-K210 WeakPolarHBondContact OE1-CE 3.37Å; E206-K210 IonicContact OE1-NZ 2.62Å; E206-K210 PolarHBondContact OE1-NZ 2.96Å |
| 207 | M | 98.2 | Very high | 98.2 | Very high | 138 Ų | 138 | 103.6 Ų | 103.6 | 68% | 0.68 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62 | -44.2 | 175.2 | -174.6 | -165.9 | -62.8 | 0 | 0 | 111.9 | A203 V204 K205 K210 S211 | A203-M207 WeakPolarHBondContact O-CB 3.37Å; A203-M207 PolarHBondContact O-N 3.35Å; V204-M207 PolarHBondContact O-N 3.43Å; K205-M207 VanDerWaalsContact C-N 3.31Å; K205-M207 PolarHBondContact O-N 2.93Å; M207-K210 PolarHBondContact O-N 3.41Å; M207-S211 PolarHBondContact O-N 3.38Å |
| 208 | H | 98.3 | Very high | 98.1 | Very high | 122 Ų | 122 | 101.4 Ų | 101.4 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.5 | -44.8 | 177.7 | 174.6 | -90.5 | 0 | 0 | 0 | 111.4 | V204 K205 K210 S211 M212 | V204-H208 WeakPolarHBondContact O-CB 3.28Å; V204-H208 PolarHBondContact O-N 3.03Å; K205-H208 PolarHBondContact O-N 3.42Å; H208-K210 PolarHBondContact O-N 3.01Å; H208-S211 WeakPolarHBondContact O-CB 3.5Å; H208-S211 PolarHBondContact O-N 3.24Å; H208-S211 VanDerWaalsContact O-N 3.17Å; H208-M212 WeakPolarHBondContact O-CG 3.4Å; H208-M212 PolarHBondContact O-N 2.9Å |
| 209 | E | 98.2 | Very high | 98.1 | Very high | 141 Ų | 141 | 99 Ų | 99 | 66% | 0.659 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.3 | -46.6 | 177.2 | -172.2 | 162.1 | -158.5 | 0 | 0 | 111.6 | K205 E206 S211 M212 E213 | K205-E209 PolarHBondContact O-N 2.63Å; E206-E209 PolarHBondContact O-N 3.18Å; E209-S211 VanDerWaalsContact C-N 3.35Å; E209-S211 PolarHBondContact O-N 2.91Å; E209-M212 PolarHBondContact O-N 3.41Å; E209-E213 PolarHBondContact O-N 3.17Å |
| 210 | K | 98.2 | Very high | 98 | Very high | 110 Ų | 110 | 96.4 Ų | 96.4 | 48% | 0.478 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 173.3 | -71.7 | 175.5 | -174.8 | 169.3 | 0 | 112.8 | E206 M207 H208 E213 V214 | E206-K210 WeakPolarHBondContact O-CG 3.36Å; E206-K210 PolarHBondContact O-N 2.96Å; E206-K210 VanDerWaalsContact OE1-CE 3.28Å; E206-K210 WeakPolarHBondContact OE1-CE 3.37Å; E206-K210 IonicContact OE1-NZ 2.62Å; E206-K210 PolarHBondContact OE1-NZ 2.96Å; M207-K210 PolarHBondContact O-N 3.41Å; H208-K210 PolarHBondContact O-N 3.01Å; K210-E213 PolarHBondContact O-N 3.39Å; K210-V214 WeakPolarHBondContact O-CG2 3.49Å; K210-V214 PolarHBondContact O-N 3.48Å |
| 211 | S | 98.1 | Very high | 97.9 | Very high | 62 Ų | 62 | 98.5 Ų | 98.5 | 43% | 0.434 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 177 | -174.8 | 0 | 0 | 0 | 0 | 111.7 | M207 H208 E209 V214 L215 | M207-S211 PolarHBondContact O-N 3.38Å; H208-S211 WeakPolarHBondContact O-CB 3.5Å; H208-S211 PolarHBondContact O-N 3.24Å; H208-S211 VanDerWaalsContact O-N 3.17Å; E209-S211 VanDerWaalsContact C-N 3.35Å; E209-S211 PolarHBondContact O-N 2.91Å; S211-V214 PolarHBondContact O-N 3.33Å; S211-L215 WeakPolarHBondContact O-CB 3.46Å; S211-L215 WeakPolarHBondContact O-CG 3.35Å; S211-L215 PolarHBondContact O-N 3.01Å |
| 212 | M | 98 | Very high | 97.8 | Very high | 104 Ų | 104 | 97.6 Ų | 97.6 | 51% | 0.512 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 177.2 | -71.3 | -60.4 | -64.6 | 0 | 0 | 111.4 | H208 E209 L215 M216 | H208-M212 WeakPolarHBondContact O-CG 3.4Å; H208-M212 PolarHBondContact O-N 2.9Å; E209-M212 PolarHBondContact O-N 3.41Å; M212-L215 PolarHBondContact O-N 3.48Å; M212-M216 WeakPolarHBondContact O-CB 3.46Å; M212-M216 PolarHBondContact O-N 3.4Å |
| 213 | E | 98.1 | Very high | 97.6 | Very high | 109 Ų | 109 | 98.9 Ų | 98.9 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 175.1 | -174 | -177.5 | -177.8 | 0 | 0 | 111.9 | E209 K210 L215 M216 N217 | E209-E213 PolarHBondContact O-N 3.17Å; K210-E213 PolarHBondContact O-N 3.39Å; E213-L215 PolarHBondContact O-N 3.25Å; E213-M216 PolarHBondContact O-N 3.43Å; E213-N217 WeakPolarHBondContact O-CB 3.42Å; E213-N217 VanDerWaalsContact O-CG 3.26Å; E213-N217 PolarHBondContact O-N 2.95Å; E213-N217 PolarHBondContact O-ND2 2.89Å |
| 214 | V | 98 | Very high | 97.5 | Very high | 99 Ų | 99 | 101.5 Ų | 101.5 | 60% | 0.6 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62 | -43.6 | 177.2 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | K210 S211 N217 L218 | K210-V214 WeakPolarHBondContact O-CG2 3.49Å; K210-V214 PolarHBondContact O-N 3.48Å; S211-V214 PolarHBondContact O-N 3.33Å; V214-N217 PolarHBondContact O-N 2.98Å; V214-L218 WeakPolarHBondContact O-CB 3.33Å; V214-L218 PolarHBondContact O-N 2.92Å |
| 215 | L | 97.9 | Very high | 97.3 | Very high | 101 Ų | 101 | 102.2 Ų | 102.2 | 53% | 0.529 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 177.6 | -74.2 | 173 | 0 | 0 | 0 | 112.1 | S211 M212 E213 L218 G219 | S211-L215 WeakPolarHBondContact O-CB 3.46Å; S211-L215 WeakPolarHBondContact O-CG 3.35Å; S211-L215 PolarHBondContact O-N 3.01Å; M212-L215 PolarHBondContact O-N 3.48Å; E213-L215 PolarHBondContact O-N 3.25Å; L215-L218 PolarHBondContact O-N 3.38Å; L215-G219 PolarHBondContact O-N 3.38Å |
| 216 | M | 97.5 | Very high | 97.1 | Very high | 123 Ų | 123 | 103 Ų | 103 | 61% | 0.606 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.1 | -48.8 | 175.9 | -175 | 177.4 | 68.6 | 0 | 0 | 111 | M212 E213 L218 G219 T220 | M212-M216 WeakPolarHBondContact O-CB 3.46Å; M212-M216 PolarHBondContact O-N 3.4Å; E213-M216 PolarHBondContact O-N 3.43Å; M216-L218 VanDerWaalsContact C-N 3.32Å; M216-L218 PolarHBondContact O-N 3.21Å; M216-G219 WeakPolarHBondContact O-CA 3.49Å; M216-G219 PolarHBondContact O-N 3.47Å; M216-G219 VanDerWaalsContact O-N 3.11Å; M216-T220 PolarHBondContact O-N 2.95Å; M216-T220 PolarHBondContact O-OG1 3.46Å |
| 217 | N | 97.3 | Very high | 96.9 | Very high | 87 Ų | 87 | 105.2 Ų | 105.2 | 47% | 0.465 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 177.4 | -70.9 | -26.1 | 0 | 0 | 0 | 112.5 | E213 V214 K221 | E213-N217 WeakPolarHBondContact O-CB 3.42Å; E213-N217 VanDerWaalsContact O-CG 3.26Å; E213-N217 PolarHBondContact O-N 2.95Å; E213-N217 PolarHBondContact O-ND2 2.89Å; V214-N217 PolarHBondContact O-N 2.98Å; N217-K221 PolarHBondContact O-N 3.38Å |
| 218 | L | 97.2 | Very high | 96.7 | Very high | 89 Ų | 89 | 100.4 Ų | 100.4 | 47% | 0.466 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 174.1 | -179.9 | 62.8 | 0 | 0 | 0 | 111.7 | V214 L215 M216 K221 N222 | V214-L218 WeakPolarHBondContact O-CB 3.33Å; V214-L218 PolarHBondContact O-N 2.92Å; L215-L218 PolarHBondContact O-N 3.38Å; M216-L218 VanDerWaalsContact C-N 3.32Å; M216-L218 PolarHBondContact O-N 3.21Å; L218-K221 PolarHBondContact O-N 3.04Å; L218-N222 WeakPolarHBondContact O-CB 3.46Å; L218-N222 VanDerWaalsContact O-CG 3.29Å; L218-N222 PolarHBondContact O-N 3.11Å |
| 219 | G | 96.8 | Very high | 96.4 | Very high | 38 Ų | 38 | 98.3 Ų | 98.3 | 39% | 0.392 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -56.4 | -51.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L215 M216 K221 N222 E223 | L215-G219 PolarHBondContact O-N 3.38Å; M216-G219 WeakPolarHBondContact O-CA 3.49Å; M216-G219 PolarHBondContact O-N 3.47Å; M216-G219 VanDerWaalsContact O-N 3.11Å; G219-K221 PolarHBondContact O-N 3.01Å; G219-N222 PolarHBondContact O-N 3.08Å; G219-E223 PolarHBondContact O-N 3.25Å |
| 220 | T | 97.1 | Very high | 96.1 | Very high | 72 Ų | 72 | 94.9 Ų | 94.9 | 44% | 0.442 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 176.5 | -53.8 | 0 | 0 | 0 | 0 | 112 | M216 N222 E223 D224 | M216-T220 PolarHBondContact O-N 2.95Å; M216-T220 PolarHBondContact O-OG1 3.46Å; T220-N222 VanDerWaalsContact C-N 3.33Å; T220-N222 PolarHBondContact O-N 3.44Å; T220-E223 WeakPolarHBondContact O-CB 3.4Å; T220-E223 PolarHBondContact O-N 3.38Å; T220-D224 PolarHBondContact O-N 3.33Å |
| 221 | K | 96.3 | Very high | 95.9 | Very high | 128 Ų | 128 | 90.5 Ų | 90.5 | 56% | 0.557 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.5 | -40.1 | 178.2 | -177.2 | -178.3 | 176.4 | -178.5 | 0 | 112.7 | N217 L218 G219 D224 M225 | N217-K221 PolarHBondContact O-N 3.38Å; L218-K221 PolarHBondContact O-N 3.04Å; G219-K221 PolarHBondContact O-N 3.01Å; K221-D224 PolarHBondContact O-N 2.99Å; K221-M225 HydrophobicContact CG-CE 4.4Å; K221-M225 WeakPolarHBondContact O-CG 3.13Å; K221-M225 PolarHBondContact O-N 3.23Å; K221-M225 VanDerWaalsContact O-N 3.08Å |
| 222 | N | 95.7 | Very high | 95.5 | Very high | 70 Ų | 70 | 92.7 Ų | 92.7 | 37% | 0.374 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 178.1 | -74.7 | -11.2 | 0 | 0 | 0 | 111.5 | L218 G219 T220 M225 L226 | L218-N222 WeakPolarHBondContact O-CB 3.46Å; L218-N222 VanDerWaalsContact O-CG 3.29Å; L218-N222 PolarHBondContact O-N 3.11Å; G219-N222 PolarHBondContact O-N 3.08Å; T220-N222 VanDerWaalsContact C-N 3.33Å; T220-N222 PolarHBondContact O-N 3.44Å; N222-M225 PolarHBondContact O-N 3.32Å; N222-M225 WeakPolarHBondContact OD1-CE 3.43Å; N222-L226 WeakPolarHBondContact O-CB 3.32Å; N222-L226 WeakPolarHBondContact O-CG 3.49Å; N222-L226 PolarHBondContact O-N 3Å |
| 223 | E | 95.6 | Very high | 95.1 | Very high | 137 Ų | 137 | 92 Ų | 92 | 64% | 0.64 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.9 | -45.7 | 174.5 | -170.3 | 171 | -171.8 | 0 | 0 | 111.3 | G219 T220 M225 L226 F227 | G219-E223 PolarHBondContact O-N 3.25Å; T220-E223 WeakPolarHBondContact O-CB 3.4Å; T220-E223 PolarHBondContact O-N 3.38Å; E223-M225 PolarHBondContact O-N 2.92Å; E223-L226 PolarHBondContact O-N 3.45Å; E223-F227 WeakPolarHBondContact O-CB 3.32Å; E223-F227 PolarHBondContact O-N 3.23Å |
| 224 | D | 95.2 | Very high | 94.6 | Very high | 109 Ų | 109 | 93 Ų | 93 | 58% | 0.583 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.7 | -44.2 | 175.3 | -68.6 | -27.4 | 0 | 0 | 0 | 112.5 | T220 K221 F227 G228 | T220-D224 PolarHBondContact O-N 3.33Å; K221-D224 PolarHBondContact O-N 2.99Å; D224-F227 PolarHBondContact O-N 3.46Å; D224-G228 PolarHBondContact O-N 3.03Å |
| 225 | M | 94.9 | Very high | 94.2 | Very high | 98 Ų | 98 | 95.3 Ų | 95.3 | 48% | 0.483 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 177.6 | -72.7 | -171.5 | -61.1 | 0 | 0 | 112.1 | K221 N222 E223 F227 G228 V229 | K221-M225 HydrophobicContact CG-CE 4.4Å; K221-M225 WeakPolarHBondContact O-CG 3.13Å; K221-M225 PolarHBondContact O-N 3.23Å; K221-M225 VanDerWaalsContact O-N 3.08Å; N222-M225 PolarHBondContact O-N 3.32Å; N222-M225 WeakPolarHBondContact OD1-CE 3.43Å; E223-M225 PolarHBondContact O-N 2.92Å; M225-F227 VanDerWaalsContact C-N 3.32Å; M225-F227 PolarHBondContact O-N 2.92Å; M225-G228 PolarHBondContact O-N 3.17Å; M225-V229 WeakPolarHBondContact O-CG2 3.45Å; M225-V229 PolarHBondContact O-N 3.49Å |
| 226 | L | 95 | Very high | 93.5 | Very high | 125 Ų | 125 | 96.9 Ų | 96.9 | 65% | 0.654 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.5 | -42.5 | 177.1 | -75.7 | 170.7 | 0 | 0 | 0 | 111.2 | N222 E223 G228 V229 D230 | N222-L226 WeakPolarHBondContact O-CB 3.32Å; N222-L226 WeakPolarHBondContact O-CG 3.49Å; N222-L226 PolarHBondContact O-N 3Å; E223-L226 PolarHBondContact O-N 3.45Å; L226-G228 VanDerWaalsContact C-N 3.3Å; L226-G228 PolarHBondContact O-N 3.44Å; L226-V229 PolarHBondContact O-N 2.88Å; L226-D230 WeakPolarHBondContact O-CB 3.46Å; L226-D230 PolarHBondContact O-N 3.04Å |
| 227 | F | 94.3 | Very high | 92.4 | Very high | 147 Ų | 147 | 96.7 Ų | 96.7 | 65% | 0.645 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.3 | -40.9 | 174.1 | -172 | -94.9 | 0 | 0 | 0 | 111.9 | E223 D224 M225 G231 | E223-F227 WeakPolarHBondContact O-CB 3.32Å; E223-F227 PolarHBondContact O-N 3.23Å; D224-F227 PolarHBondContact O-N 3.46Å; M225-F227 VanDerWaalsContact C-N 3.32Å; M225-F227 PolarHBondContact O-N 2.92Å; F227-G231 PolarHBondContact O-N 3.32Å |
| 228 | G | 93.6 | Very high | 91.3 | Very high | 37 Ų | 37 | 98.1 Ų | 98.1 | 38% | 0.381 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.8 | -50.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D224 M225 L226 G231 E232 | D224-G228 PolarHBondContact O-N 3.03Å; M225-G228 PolarHBondContact O-N 3.17Å; L226-G228 VanDerWaalsContact C-N 3.3Å; L226-G228 PolarHBondContact O-N 3.44Å; G228-G231 WeakPolarHBondContact O-CA 3.46Å; G228-G231 PolarHBondContact O-N 2.95Å; G228-E232 PolarHBondContact O-N 2.94Å |
| 229 | V | 92.5 | Very high | 89.3 | Confident | 78 Ų | 78 | 103.7 Ų | 103.7 | 47% | 0.473 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 178.7 | 172.8 | 0 | 0 | 0 | 0 | 111.8 | M225 L226 G231 E232 L233 | M225-V229 WeakPolarHBondContact O-CG2 3.45Å; M225-V229 PolarHBondContact O-N 3.49Å; L226-V229 PolarHBondContact O-N 2.88Å; V229-G231 VanDerWaalsContact C-N 3.28Å; V229-G231 PolarHBondContact O-N 3.09Å; V229-E232 PolarHBondContact O-N 3.24Å; V229-E232 VanDerWaalsContact O-N 3.09Å; V229-L233 HydrophobicContact CG1-CD1 4.14Å; V229-L233 HydrophobicContact CG1-CG 4.45Å; V229-L233 PolarHBondContact O-N 2.89Å |
| 230 | D | 91.5 | Very high | 87 | Confident | 69 Ų | 69 | 110.5 Ų | 110.5 | 37% | 0.369 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.2 | -40.4 | 174.9 | -178.8 | 52.8 | 0 | 0 | 0 | 111.1 | L226 E232 L233 R234 | L226-D230 WeakPolarHBondContact O-CB 3.46Å; L226-D230 PolarHBondContact O-N 3.04Å; D230-E232 PolarHBondContact O-N 2.88Å; D230-L233 PolarHBondContact O-N 2.97Å; D230-R234 WeakPolarHBondContact O-CB 3.38Å; D230-R234 WeakPolarHBondContact O-CG 3.49Å; D230-R234 PolarHBondContact O-N 3.42Å; D230-R234 IonicContact OD2-CZ 3.15Å; D230-R234 IonicContact OD2-NE 3.81Å; D230-R234 IonicContact OD2-NH1 2.88Å; D230-R234 PolarHBondContact OD2-NH1 3.19Å; D230-R234 IonicContact OD2-NH2 2.91Å; D230-R234 PolarHBondContact OD2-NH2 3.35Å |
| 231 | G | 92.4 | Very high | 86.5 | Confident | 18 Ų | 18 | 112.5 Ų | 112.5 | 19% | 0.186 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -56.9 | -42.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F227 G228 V229 K235 | F227-G231 PolarHBondContact O-N 3.32Å; G228-G231 WeakPolarHBondContact O-CA 3.46Å; G228-G231 PolarHBondContact O-N 2.95Å; V229-G231 VanDerWaalsContact C-N 3.28Å; V229-G231 PolarHBondContact O-N 3.09Å; G231-K235 WeakPolarHBondContact O-CG 3.46Å; G231-K235 PolarHBondContact O-N 3.45Å |
| 232 | E | 91.4 | Very high | 86 | Confident | 109 Ų | 109 | 111.6 Ų | 111.6 | 51% | 0.509 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.8 | -41.5 | 177 | -70.2 | -173.5 | -173.8 | 0 | 0 | 113.4 | G228 V229 D230 K235 K236 | G228-E232 PolarHBondContact O-N 2.94Å; V229-E232 PolarHBondContact O-N 3.24Å; V229-E232 VanDerWaalsContact O-N 3.09Å; D230-E232 PolarHBondContact O-N 2.88Å; E232-K235 WeakPolarHBondContact O-CB 3.44Å; E232-K235 PolarHBondContact O-N 3.42Å; E232-K236 PolarHBondContact O-N 2.7Å |
| 233 | L | 89.3 | Confident | 85.4 | Confident | 90 Ų | 90 | 113.9 Ų | 113.9 | 47% | 0.471 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.3 | -43.6 | 176.8 | -75.8 | 172.2 | 0 | 0 | 0 | 111.2 | V229 D230 K235 K236 N237 | V229-L233 HydrophobicContact CG1-CD1 4.14Å; V229-L233 HydrophobicContact CG1-CG 4.45Å; V229-L233 PolarHBondContact O-N 2.89Å; D230-L233 PolarHBondContact O-N 2.97Å; L233-K235 VanDerWaalsContact C-N 3.29Å; L233-K235 PolarHBondContact O-N 3.21Å; L233-K236 PolarHBondContact O-N 3.39Å; L233-N237 WeakPolarHBondContact O-CB 3.47Å; L233-N237 PolarHBondContact O-N 2.93Å |
| 234 | R | 87.9 | Confident | 84.8 | Confident | 129 Ų | 129 | 112.6 Ų | 112.6 | 49% | 0.487 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -57.5 | -41.8 | 172.6 | -78.6 | -169.9 | -69 | -118.5 | -8.7 | 112.1 | D230 V238 | D230-R234 WeakPolarHBondContact O-CB 3.38Å; D230-R234 WeakPolarHBondContact O-CG 3.49Å; D230-R234 PolarHBondContact O-N 3.42Å; D230-R234 IonicContact OD2-CZ 3.15Å; D230-R234 IonicContact OD2-NE 3.81Å; D230-R234 IonicContact OD2-NH1 2.88Å; D230-R234 PolarHBondContact OD2-NH1 3.19Å; D230-R234 IonicContact OD2-NH2 2.91Å; D230-R234 PolarHBondContact OD2-NH2 3.35Å; R234-V238 VanDerWaalsContact O-CG2 3.26Å; R234-V238 WeakPolarHBondContact O-CG2 3.18Å; R234-V238 PolarHBondContact O-N 2.96Å |
| 235 | K | 88.9 | Confident | 84.2 | Confident | 147 Ų | 147 | 112.8 Ų | 112.8 | 64% | 0.639 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.1 | -46.7 | 175.7 | -71.8 | 171.6 | -175.5 | 175.5 | 0 | 111.4 | G231 E232 L233 V238 Y239 | G231-K235 WeakPolarHBondContact O-CG 3.46Å; G231-K235 PolarHBondContact O-N 3.45Å; E232-K235 WeakPolarHBondContact O-CB 3.44Å; E232-K235 PolarHBondContact O-N 3.42Å; L233-K235 VanDerWaalsContact C-N 3.29Å; L233-K235 PolarHBondContact O-N 3.21Å; K235-V238 PolarHBondContact O-N 3.43Å; K235-Y239 WeakPolarHBondContact O-CD2 3.26Å |
| 236 | K | 82.3 | Confident | 83.5 | Confident | 135 Ų | 135 | 113.8 Ų | 113.8 | 59% | 0.587 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.7 | -40.6 | -178.7 | -74.5 | 175.2 | -179.1 | 162.6 | 0 | 113.2 | E232 L233 V238 Y239 | E232-K236 PolarHBondContact O-N 2.7Å; L233-K236 PolarHBondContact O-N 3.39Å; K236-V238 PolarHBondContact O-N 3.1Å; K236-Y239 PolarHBondContact O-N 3.28Å; K236-Y239 VanDerWaalsContact O-N 3.1Å |
| 237 | N | 75.3 | Confident | 82.6 | Confident | 119 Ų | 119 | 113 Ų | 113 | 64% | 0.636 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.8 | -11.9 | 178.8 | -76 | -17.2 | 0 | 0 | 0 | 114.1 | L233 Y239 | L233-N237 WeakPolarHBondContact O-CB 3.47Å; L233-N237 PolarHBondContact O-N 2.93Å; N237-Y239 VanDerWaalsContact C-N 3.34Å |
| 238 | V | 73.6 | Confident | 81.7 | Confident | 117 Ų | 117 | 110.4 Ų | 110.4 | 71% | 0.709 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -15.2 | 171.8 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | R234 K235 K236 | R234-V238 VanDerWaalsContact O-CG2 3.26Å; R234-V238 WeakPolarHBondContact O-CG2 3.18Å; R234-V238 PolarHBondContact O-N 2.96Å; K235-V238 PolarHBondContact O-N 3.43Å; K236-V238 PolarHBondContact O-N 3.1Å |
| 239 | Y | 55.8 | Low | 80.7 | Confident | 205 Ų | 205 | 116.5 Ų | 116.5 | 80% | 0.804 | 58% | 0.581 | S | S | * | * | trans | -99.8 | 11.6 | 179.6 | -73.2 | -76.6 | 0 | 0 | 0 | 114.2 | K235 K236 N237 | K235-Y239 WeakPolarHBondContact O-CD2 3.26Å; K236-Y239 PolarHBondContact O-N 3.28Å; K236-Y239 VanDerWaalsContact O-N 3.1Å; N237-Y239 VanDerWaalsContact C-N 3.34Å | ||
| 240 | V | 48.1 | Very low | 79.7 | Confident | 182 Ų | 182 | 120 Ų | 120 | 100% | 1.103 | 59% | 0.591 | S | S | * | * | trans | -118.9 | 0 | 171 | -176.6 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 240 of 240 residues in 444.9 ms
(Link to these results)