| 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 | 43.6 | Very low | 58.4 | Low | 239 Ų | 239 | 161.9 Ų | 161.9 | 100% | 1.177 | 77% | 0.765 | S | S | * | * | 0 | 131.1 | 0 | -75.5 | -151.5 | -86.7 | 0 | 0 | 109 | R3 | M1-R3 PolarHBondContact O-N 3.16Š| |||
| 2 | R | 44.4 | Very low | 59.9 | Low | 253 Ų | 253 | 153.3 Ų | 153.3 | 96% | 0.955 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 124.4 | 174.4 | -76.6 | -179.7 | 175.7 | 163.6 | -1.9 | 108.6 | M4 | R2-M4 PolarHBondContact O-N 3.29Š|
| 3 | R | 38.7 | Very low | 61.1 | Low | 247 Ų | 247 | 148.9 Ų | 148.9 | 93% | 0.932 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 117.3 | 173.1 | -70.5 | -174.5 | 178.6 | -171.4 | -0.1 | 107.9 | M1 | M1-R3 PolarHBondContact O-N 3.16Š|
| 4 | M | 48.8 | Very low | 62.5 | Low | 181 Ų | 181 | 146.1 Ų | 146.1 | 89% | 0.892 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 123.4 | 165.4 | -69.1 | -79.9 | -82.3 | 0 | 0 | 107.2 | R2 | R2-M4 PolarHBondContact O-N 3.29Š|
| 5 | A | 61.5 | Low | 63 | Low | 90 Ų | 90 | 149.2 Ų | 149.2 | 74% | 0.744 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 129.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | K7 | A5-K7 PolarHBondContact O-N 3.46Š|
| 6 | L | 49.7 | Very low | 64 | Low | 174 Ų | 174 | 143 Ų | 143 | 91% | 0.911 | 70% | 0.702 | S | S | * | * | trans | -70.6 | 108.2 | 172.5 | -77.1 | 152.9 | 0 | 0 | 0 | 107.9 | ||||
| 7 | K | 65.4 | Low | 64.6 | Low | 138 Ų | 138 | 142.7 Ų | 142.7 | 60% | 0.6 | 69% | 0.692 | S | S | * | * | trans | -59.9 | 135.2 | 173.1 | -63.5 | -170.1 | 171.9 | -169.3 | 0 | 109.7 | A5 L9 | A5-K7 PolarHBondContact O-N 3.46Å; K7-L9 HydrophobicContact CB-CD1 4.42Å; K7-L9 PolarHBondContact O-N 2.89Å | ||
| 8 | K | 69 | Low | 65.6 | Low | 171 Ų | 171 | 140.9 Ų | 140.9 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | trans | -79 | 99.7 | 174.5 | -70.5 | -179.8 | -176.7 | 169.7 | 0 | 109.3 | ||||
| 9 | L | 72.5 | Confident | 65.9 | Low | 81 Ų | 81 | 137.4 Ų | 137.4 | 42% | 0.424 | 67% | 0.67 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.7 | 135 | 167.7 | -106.5 | 73.1 | 0 | 0 | 0 | 110.3 | K7 L20 D22 | K7-L9 HydrophobicContact CB-CD1 4.42Å; K7-L9 PolarHBondContact O-N 2.89Å; L9-L20 HydrophobicContact CD2-CB 4.18Å; L9-L20 HydrophobicContact CD2-CD2 3.54Å; L9-L20 HydrophobicContact CD2-CG 3.82Å; L9-D22 WeakPolarHBondContact CD1-OD1 2.84Å; L9-D22 WeakPolarHBondContact CG-OD1 3.28Å |
| 10 | K | 71.6 | Confident | 66.5 | Low | 130 Ų | 130 | 135.8 Ų | 135.8 | 57% | 0.565 | 66% | 0.664 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.2 | 126.2 | 161.5 | -167.4 | 162.9 | -179.4 | 162.7 | 0 | 109.7 | L21 F23 | K10-L21 PolarHBondContact N-O 2.94Å; K10-L21 VanDerWaalsContact N-O 3.1Å; K10-L21 PolarHBondContact O-N 3.33Å; K10-F23 HydrophobicContact CB-CD2 4.37Å; K10-F23 HydrophobicContact CB-CE2 3.84Å |
| 11 | V | 77 | Confident | 66.5 | Low | 77 Ų | 77 | 133.1 Ų | 133.1 | 47% | 0.467 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.8 | 121.5 | 177.5 | -177 | 0 | 0 | 0 | 0 | 108.8 | L18 L19 | V11-L18 HydrophobicContact CG1-CB 4.12Å; V11-L18 HydrophobicContact CG1-CD1 4.11Å; V11-L18 HydrophobicContact CG1-CD2 4.18Å; V11-L18 HydrophobicContact CG1-CG 4.36Å; V11-L19 WeakPolarHBondContact CA-O 3.12Å |
| 12 | I | 76.3 | Confident | 67.9 | Low | 59 Ų | 59 | 126.8 Ų | 126.8 | 30% | 0.303 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.1 | 117.7 | 173.7 | -57.9 | 176.3 | 0 | 0 | 0 | 108.5 | L19 L21 | I12-L19 HydrophobicContact CB-CB 4.39Å; I12-L19 PolarHBondContact N-O 3.43Å; I12-L19 PolarHBondContact O-N 3.16Å; I12-L21 HydrophobicContact CD1-CD1 3.81Å |
| 13 | P | 75.4 | Confident | 68.3 | Low | 96 Ų | 96 | 120.7 Ų | 120.7 | 62% | 0.623 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.9 | 134.3 | 173.3 | 27.1 | -30.3 | 0 | 0 | 0 | 111.3 | L18 | P13-L18 HydrophobicContact CB-CD2 3.98Å |
| 14 | K | 81.6 | Confident | 69.5 | Low | 110 Ų | 110 | 113.8 Ų | 113.8 | 48% | 0.478 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.5 | 163.8 | 169.9 | -67.9 | -64.2 | -175.4 | 178.8 | 0 | 109.8 | G16 Y17 L19 | K14-G16 PolarHBondContact O-N 3.49Å; K14-Y17 CarbonylContact C-O 3.54Å; K14-Y17 WeakPolarHBondContact CA-O 3.08Å; K14-Y17 HydrophobicContact CB-CD1 4.13Å; K14-Y17 HydrophobicContact CB-CD2 4.28Å; K14-Y17 HydrophobicContact CB-CE1 3.8Å; K14-Y17 HydrophobicContact CB-CE2 3.98Å; K14-Y17 HydrophobicContact CB-CG 4.35Å; K14-Y17 HydrophobicContact CG-CE2 4.12Å; K14-Y17 PolarHBondContact N-O 3.45Å; K14-Y17 PolarHBondContact O-N 3.46Å; K14-L19 HydrophobicContact CG-CD1 4.05Å |
| 15 | E | 69.4 | Low | 69.7 | Low | 192 Ų | 192 | 112.7 Ų | 112.7 | 90% | 0.897 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 95.8 | 179.6 | -156.6 | 79.8 | -142.1 | 0 | 0 | 109.8 | ||
| 16 | G | 79.5 | Confident | 69.3 | Low | 50 Ų | 50 | 116.6 Ų | 116.6 | 52% | 0.515 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 86.5 | 12.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | K14 R147 | K14-G16 PolarHBondContact O-N 3.49Å; G16-R147 PolarHBondContact O-NH1 3.46Å |
| 17 | Y | 74.5 | Confident | 69.2 | Low | 138 Ų | 138 | 115 Ų | 115 | 54% | 0.541 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -161.1 | 163.4 | 169.2 | 63.3 | -78.8 | 0 | 0 | 0 | 112.3 | K14 L19 | K14-Y17 CarbonylContact C-O 3.54Å; K14-Y17 WeakPolarHBondContact CA-O 3.08Å; K14-Y17 HydrophobicContact CB-CD1 4.13Å; K14-Y17 HydrophobicContact CB-CD2 4.28Å; K14-Y17 HydrophobicContact CB-CE1 3.8Å; K14-Y17 HydrophobicContact CB-CE2 3.98Å; K14-Y17 HydrophobicContact CB-CG 4.35Å; K14-Y17 HydrophobicContact CG-CE2 4.12Å; K14-Y17 PolarHBondContact N-O 3.45Å; K14-Y17 PolarHBondContact O-N 3.46Å; Y17-L19 HydrophobicContact CD2-CG 4.32Å; Y17-L19 HydrophobicContact CE2-CD1 4.31Å; Y17-L19 HydrophobicContact CE2-CD2 4.09Å; Y17-L19 HydrophobicContact CE2-CG 3.88Å |
| 18 | L | 81.4 | Confident | 68 | Low | 110 Ų | 110 | 115.8 Ų | 115.8 | 58% | 0.576 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.1 | 132.1 | 175.4 | -60.9 | 179.6 | 0 | 0 | 0 | 109.8 | V11 P13 L20 | V11-L18 HydrophobicContact CG1-CB 4.12Å; V11-L18 HydrophobicContact CG1-CD1 4.11Å; V11-L18 HydrophobicContact CG1-CD2 4.18Å; V11-L18 HydrophobicContact CG1-CG 4.36Å; P13-L18 HydrophobicContact CB-CD2 3.98Å; L18-L20 HydrophobicContact CB-CD1 4.26Å |
| 19 | L | 72.6 | Confident | 66.7 | Low | 74 Ų | 74 | 114.7 Ų | 114.7 | 39% | 0.387 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 125.1 | 169.7 | -75 | 166.2 | 0 | 0 | 0 | 109.5 | V11 I12 K14 Y17 | V11-L19 WeakPolarHBondContact CA-O 3.12Å; I12-L19 HydrophobicContact CB-CB 4.39Å; I12-L19 PolarHBondContact N-O 3.43Å; I12-L19 PolarHBondContact O-N 3.16Å; K14-L19 HydrophobicContact CG-CD1 4.05Å; Y17-L19 HydrophobicContact CD2-CG 4.32Å; Y17-L19 HydrophobicContact CE2-CD1 4.31Å; Y17-L19 HydrophobicContact CE2-CD2 4.09Å; Y17-L19 HydrophobicContact CE2-CG 3.88Å |
| 20 | L | 77.3 | Confident | 65.2 | Low | 106 Ų | 106 | 118.4 Ų | 118.4 | 56% | 0.555 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.8 | 120.4 | 173.5 | -80.3 | 66.2 | 0 | 0 | 0 | 108.2 | L9 L18 | L9-L20 HydrophobicContact CD2-CB 4.18Å; L9-L20 HydrophobicContact CD2-CD2 3.54Å; L9-L20 HydrophobicContact CD2-CG 3.82Å; L18-L20 HydrophobicContact CB-CD1 4.26Å |
| 21 | L | 67 | Low | 63.4 | Low | 80 Ų | 80 | 121.1 Ų | 121.1 | 42% | 0.419 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.1 | 119.8 | 174 | -69.4 | 161.8 | 0 | 0 | 0 | 108.8 | K10 I12 F23 | K10-L21 PolarHBondContact N-O 2.94Å; K10-L21 VanDerWaalsContact N-O 3.1Å; K10-L21 PolarHBondContact O-N 3.33Å; I12-L21 HydrophobicContact CD1-CD1 3.81Å; L21-F23 HydrophobicContact CB-CD2 4.4Å; L21-F23 HydrophobicContact CB-CE2 3.84Å; L21-F23 HydrophobicContact CB-CZ 4.45Å |
| 22 | D | 73.1 | Confident | 61.4 | Low | 105 Ų | 105 | 123 Ų | 123 | 56% | 0.561 | 63% | 0.634 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.3 | 124.1 | 174.5 | -71.4 | 5.1 | 0 | 0 | 0 | 108.4 | L9 | L9-D22 WeakPolarHBondContact CD1-OD1 2.84Å; L9-D22 WeakPolarHBondContact CG-OD1 3.28Å |
| 23 | F | 51.9 | Low | 59.4 | Low | 126 Ų | 126 | 124.9 Ų | 124.9 | 55% | 0.553 | 65% | 0.652 | S | S | * | * | trans | -105.5 | 25.9 | -177.4 | -78.8 | -85 | 0 | 0 | 0 | 113.5 | K10 L21 | K10-F23 HydrophobicContact CB-CD2 4.37Å; K10-F23 HydrophobicContact CB-CE2 3.84Å; L21-F23 HydrophobicContact CB-CD2 4.4Å; L21-F23 HydrophobicContact CB-CE2 3.84Å; L21-F23 HydrophobicContact CB-CZ 4.45Å | ||
| 24 | D | 63.2 | Low | 57.2 | Low | 101 Ų | 101 | 128.8 Ų | 128.8 | 54% | 0.54 | 66% | 0.662 | S | S | . | * | trans | -97.8 | 9.9 | -176.2 | -98.8 | -4.3 | 0 | 0 | 0 | 114.9 | ||||
| 25 | D | 53.4 | Low | 54.9 | Low | 159 Ų | 159 | 132.5 Ų | 132.5 | 85% | 0.85 | 68% | 0.681 | S | S | * | * | trans | -97.7 | 75.5 | 165.2 | -76 | -20.1 | 0 | 0 | 0 | 109.2 | ||||
| 26 | E | 54.3 | Low | 53.3 | Low | 171 Ų | 171 | 127.6 Ų | 127.6 | 80% | 0.799 | 67% | 0.673 | S | S | * | * | trans | -75.8 | 121.6 | 149.1 | -68.2 | -91.4 | 166.6 | 0 | 0 | 105 | ||||
| 27 | D | 46.2 | Very low | 51 | Low | 142 Ų | 142 | 132.8 Ų | 132.8 | 76% | 0.759 | 69% | 0.688 | S | S | * | * | S | Bend | trans | 88.8 | 78 | -174.8 | -47.3 | -36.3 | 0 | 0 | 0 | 115.6 | ||
| 28 | D | 41.5 | Very low | 49.1 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | -175.8 | 140.1 | 116.9 | -89.4 | -25.9 | 0 | 0 | 0 | 110.1 | |||||
| 29 | D | 41.8 | Very low | 46.7 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | trans | -39.1 | 141.2 | -175.9 | -63.9 | -58.9 | 0 | 0 | 0 | 114.2 | K31 | D29-K31 PolarHBondContact O-N 3.33Š| ||
| 30 | I | 40 | Very low | 44.8 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | trans | -54.4 | 88.8 | 168.6 | -60.3 | 165.2 | 0 | 0 | 0 | 108 | V32 | I30-V32 HydrophobicContact CG2-CG2 3.71Å; I30-V32 PolarHBondContact O-N 3.23Å | ||
| 31 | K | 34.3 | Very low | 42.5 | Very low | 187 Ų | 187 | 140.8 Ų | 140.8 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | trans | -74.1 | 85.2 | 173.1 | -153.3 | -177.5 | -170 | -172 | 0 | 105.9 | D29 S33 | D29-K31 PolarHBondContact O-N 3.33Å; K31-S33 PolarHBondContact O-N 2.89Å | ||
| 32 | V | 35.2 | Very low | 40.7 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | trans | -63.2 | 82.9 | 161.5 | -173.6 | 0 | 0 | 0 | 0 | 106 | I30 E34 | I30-V32 HydrophobicContact CG2-CG2 3.71Å; I30-V32 PolarHBondContact O-N 3.23Å; V32-E34 VanDerWaalsContact C-N 3.28Å; V32-E34 PolarHBondContact O-N 3.42Å | ||
| 33 | S | 33.3 | Very low | 38.6 | Very low | 98 Ų | 98 | 141.4 Ų | 141.4 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | trans | -77.4 | 95.9 | 155.7 | 28.3 | 0 | 0 | 0 | 0 | 105.1 | K31 E35 | K31-S33 PolarHBondContact O-N 2.89Å; S33-E35 PolarHBondContact O-N 3.24Å | ||
| 34 | E | 30.9 | Very low | 37.5 | Very low | 177 Ų | 177 | 139.6 Ų | 139.6 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | -67.6 | 80.3 | 162.4 | -170.9 | 178.8 | -173.2 | 0 | 0 | 107.5 | V32 | V32-E34 VanDerWaalsContact C-N 3.28Å; V32-E34 PolarHBondContact O-N 3.42Å | ||
| 35 | E | 32.4 | Very low | 36 | Very low | 188 Ų | 188 | 145.1 Ų | 145.1 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -115.7 | 101.2 | 154.1 | -98.7 | -171.1 | 165 | 0 | 0 | 107.5 | S33 L37 | S33-E35 PolarHBondContact O-N 3.24Å; E35-L37 PolarHBondContact O-N 2.78Å | ||
| 36 | A | 36.4 | Very low | 35.2 | Very low | 89 Ų | 89 | 144.9 Ų | 144.9 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -58.9 | 118.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 37 | L | 30.9 | Very low | 34.3 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | 48.6 | 102.1 | 138.3 | -55.6 | 174 | 0 | 0 | 0 | 116.9 | E35 | E35-L37 PolarHBondContact O-N 2.78Š| ||
| 38 | S | 34.2 | Very low | 33.6 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | 171.7 | 125 | 90 | 44.8 | 0 | 0 | 0 | 0 | 110.8 | V40 | S38-V40 PolarHBondContact O-N 3.21Š| |||
| 39 | E | 31.5 | Very low | 33.2 | Very low | 173 Ų | 173 | 147.8 Ų | 147.8 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | -63.7 | 115.9 | 166.4 | -173.9 | 170.1 | -154.7 | 0 | 0 | 109.9 | ||||
| 40 | V | 31.7 | Very low | 32.8 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -126.5 | 87.5 | 132.3 | -179.7 | 0 | 0 | 0 | 0 | 107 | S38 | S38-V40 PolarHBondContact O-N 3.21Š| ||
| 41 | K | 30.1 | Very low | 32.3 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | -84.3 | 110.7 | 151.7 | 178.1 | 167 | -178.2 | 171.6 | 0 | 107.3 | P43 | K41-P43 HydrophobicContact CG-CG 4.28Š| ||
| 42 | S | 29.3 | Very low | 32.5 | Very low | 101 Ų | 101 | 141 Ų | 141 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | -127.1 | 109 | 150.9 | 43.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 43 | P | 29.2 | Very low | 32.5 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 63% | 0.63 | 77% | 0.773 | S | S | * | * | trans | -83.1 | 121.9 | 164.8 | 14.1 | 3.3 | 0 | 0 | 0 | 109.3 | K41 | K41-P43 HydrophobicContact CG-CG 4.28Š| ||
| 44 | A | 28.9 | Very low | 32.2 | Very low | 87 Ų | 87 | 143.7 Ų | 143.7 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | trans | 42.9 | 99.5 | 132.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 45 | F | 31.2 | Very low | 32.3 | Very low | 218 Ų | 218 | 139.2 Ų | 139.2 | 96% | 0.956 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 136.7 | 136.2 | -113.4 | -93.8 | 0 | 0 | 0 | 108.4 | ||
| 46 | D | 35.1 | Very low | 32.1 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 156.4 | -170.2 | -78.9 | -54.8 | 0 | 0 | 0 | 115.4 | ||
| 47 | K | 37 | Very low | 32 | Very low | 203 Ų | 203 | 138.6 Ų | 138.6 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 131.5 | 179.1 | -60.1 | 169.2 | 176.8 | 174.5 | 0 | 111.9 | ||
| 48 | N | 31.6 | Very low | 32.1 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | -161.3 | 116 | 128 | 55.3 | 16.5 | 0 | 0 | 0 | 108 | |||||
| 49 | E | 32.5 | Very low | 32.5 | Very low | 185 Ų | 185 | 142.2 Ų | 142.2 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | 75.7 | 124 | 96.7 | -161.4 | 179.8 | -149.2 | 0 | 0 | 110.5 | |||||
| 50 | N | 32.4 | Very low | 33 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 66% | 0.658 | 77% | 0.77 | S | S | * | * | cis | -172.1 | 141.2 | -11.2 | -167.9 | 22.1 | 0 | 0 | 0 | 103 | ||||
| 51 | I | 30.1 | Very low | 33.1 | Very low | 135 Ų | 135 | 143.9 Ų | 143.9 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | 39.1 | 111 | 145.3 | -64.2 | 168.3 | 0 | 0 | 0 | 115.8 | ||||
| 52 | S | 38 | Very low | 33.3 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | 158.8 | 155.4 | 56.3 | -106.4 | 0 | 0 | 0 | 0 | 105.1 | |||||
| 53 | P | 35.5 | Very low | 33.6 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | -134.5 | 139.4 | 60 | 22.8 | 0.6 | 0 | 0 | 0 | 113.2 | |||||
| 54 | Q | 27.9 | Very low | 34 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | 39.3 | 97.8 | 104.1 | -66.8 | -163.6 | -89.4 | 0 | 0 | 111.8 | |||||
| 55 | A | 32 | Very low | 34.8 | Very low | 82 Ų | 82 | 147 Ų | 147 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | 52.1 | 130.5 | 76.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 56 | E | 29.7 | Very low | 35 | Very low | 182 Ų | 182 | 143.7 Ų | 143.7 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | 87.9 | 125.2 | -176.5 | -50.3 | 175.1 | -152.7 | 0 | 0 | 112.1 | ||||
| 57 | A | 34.2 | Very low | 35.5 | Very low | 83 Ų | 83 | 140.5 Ų | 140.5 | 69% | 0.686 | 77% | 0.768 | S | S | * | * | cis | -152.8 | 133.1 | 7.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 58 | D | 32.9 | Very low | 35.2 | Very low | 158 Ų | 158 | 140 Ų | 140 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | 40.8 | 94.1 | 100.9 | -66.6 | -25 | 0 | 0 | 0 | 114.6 | |||||
| 59 | E | 41.5 | Very low | 35.7 | Very low | 196 Ų | 196 | 140.9 Ų | 140.9 | 92% | 0.916 | 78% | 0.775 | S | S | * | * | trans | -145.5 | 72.5 | 153.6 | -72 | -161.4 | -162.9 | 0 | 0 | 109.5 | ||||
| 60 | D | 41.6 | Very low | 35.8 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -146.5 | 64.6 | 146.4 | -163.5 | 24 | 0 | 0 | 0 | 109.1 | ||||
| 61 | M | 33.8 | Very low | 36.2 | Very low | 188 Ų | 188 | 141.6 Ų | 141.6 | 93% | 0.926 | 78% | 0.776 | S | S | * | * | trans | -121.2 | 103.1 | 163 | -68 | -67.1 | -79.5 | 0 | 0 | 106.9 | ||||
| 62 | G | 35.2 | Very low | 36.4 | Very low | 56 Ų | 56 | 139 Ų | 139 | 58% | 0.577 | 77% | 0.77 | S | S | * | * | trans | 177.3 | 123.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 63 | D | 34.7 | Very low | 36 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | cis | -169 | 112.9 | -3.7 | -97.8 | -38 | 0 | 0 | 0 | 101.6 | ||||
| 64 | E | 38.8 | Very low | 35.7 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -159 | 92.2 | 147.9 | -123 | 176.1 | 158.5 | 0 | 0 | 109.9 | ||||
| 65 | V | 44.3 | Very low | 35.7 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 76% | 0.758 | 77% | 0.772 | S | S | * | * | trans | 52.8 | 89 | 136.3 | -52.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 66 | D | 36.9 | Very low | 36.3 | Very low | 150 Ų | 150 | 144.7 Ų | 144.7 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | -137.1 | 113.1 | 125.9 | -141.5 | -12.8 | 0 | 0 | 0 | 112.8 | |||||
| 67 | S | 44.7 | Very low | 36.6 | Very low | 85 Ų | 85 | 142.3 Ų | 142.3 | 59% | 0.594 | 78% | 0.779 | S | S | * | * | trans | 46.9 | 78.2 | 146 | 55.2 | 0 | 0 | 0 | 0 | 118.8 | L69 | S67-L69 PolarHBondContact O-N 3.44Š| ||
| 68 | M | 32 | Very low | 36.8 | Very low | 194 Ų | 194 | 142.6 Ų | 142.6 | 96% | 0.956 | 78% | 0.782 | S | S | * | * | -60.7 | 83.6 | 123.8 | -94 | -177.1 | 131.3 | 0 | 0 | 109.1 | |||||
| 69 | L | 40.3 | Very low | 36.9 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -136.9 | 52 | 140.6 | -91.9 | 177.8 | 0 | 0 | 0 | 108.4 | S67 K71 | S67-L69 PolarHBondContact O-N 3.44Å; L69-K71 VanDerWaalsContact C-N 3.33Å; L69-K71 PolarHBondContact O-N 3.45Å | ||
| 70 | D | 36 | Very low | 36.4 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | -71.1 | 96 | 147.1 | -175.2 | 19.6 | 0 | 0 | 0 | 107.8 | ||||
| 71 | K | 40.2 | Very low | 36.2 | Very low | 181 Ų | 181 | 140.3 Ų | 140.3 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | trans | -136.5 | 95.1 | 144.3 | -74.1 | -163.9 | -178.8 | -177.6 | 0 | 106.1 | L69 | L69-K71 VanDerWaalsContact C-N 3.33Å; L69-K71 PolarHBondContact O-N 3.45Å | ||
| 72 | S | 33.4 | Very low | 36.3 | Very low | 80 Ų | 80 | 138.7 Ų | 138.7 | 56% | 0.559 | 78% | 0.775 | S | S | * | * | -7.9 | 133 | 119.8 | 57.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 73 | E | 29.8 | Very low | 36.7 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | 171.4 | 130.9 | 88.7 | -94.6 | -175.1 | 147.3 | 0 | 0 | 109.3 | |||||
| 74 | V | 29.3 | Very low | 36.9 | Very low | 107 Ų | 107 | 144.6 Ų | 144.6 | 65% | 0.648 | 79% | 0.787 | S | S | * | * | 81.8 | 99.1 | 122.2 | 173.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 75 | N | 27.5 | Very low | 36.9 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | 102.6 | 118.2 | 78.3 | -82.2 | -33.1 | 0 | 0 | 0 | 112.2 | |||||
| 76 | N | 46.1 | Very low | 36.6 | Very low | 154 Ų | 154 | 142 Ų | 142 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | 1.6 | 148.2 | 148.6 | -62.6 | -30.2 | 0 | 0 | 0 | 121 | ||||
| 77 | P | 35.3 | Very low | 36.7 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | -136.7 | 167.3 | 123.7 | 36.4 | -21.7 | 0 | 0 | 0 | 115.4 | |||||
| 78 | A | 37.9 | Very low | 36.3 | Very low | 89 Ų | 89 | 144.2 Ų | 144.2 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -102.4 | 178.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 79 | I | 35.1 | Very low | 37.1 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 93% | 0.933 | 78% | 0.782 | S | S | * | * | trans | 91.3 | 139.1 | 167.6 | -64.8 | 162.3 | 0 | 0 | 0 | 115.1 | ||||
| 80 | G | 31 | Very low | 37.5 | Very low | 67 Ų | 67 | 144 Ų | 144 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | cis | 171.4 | 167.4 | 4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 81 | K | 38.4 | Very low | 38.3 | Very low | 209 Ų | 209 | 140.2 Ų | 140.2 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | trans | 2.9 | 135.7 | 167 | -62.8 | 178.9 | 178.1 | 179 | 0 | 123.4 | ||||
| 82 | D | 35.7 | Very low | 39.1 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | -37.9 | 129.9 | 153.5 | -73.2 | -60.1 | 0 | 0 | 0 | 117.4 | ||||
| 83 | E | 43.6 | Very low | 40.5 | Very low | 191 Ų | 191 | 142.6 Ų | 142.6 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -152.4 | 118.9 | 135.8 | -110.8 | 179.9 | -157 | 0 | 0 | 108.6 | I85 | E83-I85 PolarHBondContact O-N 2.9Š| ||
| 84 | N | 37.7 | Very low | 42.5 | Very low | 147 Ų | 147 | 141 Ų | 141 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -94.8 | 79.2 | -165.4 | -158.2 | -21.9 | 0 | 0 | 0 | 110 | ||||
| 85 | I | 39.6 | Very low | 44.9 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | trans | -90.1 | 117 | 148.7 | -59 | 175.2 | 0 | 0 | 0 | 103.6 | E83 P87 | E83-I85 PolarHBondContact O-N 2.9Å; I85-P87 VanDerWaalsContact C-CD 3.45Å; I85-P87 WeakPolarHBondContact O-CD 3.29Å | ||
| 86 | S | 38.9 | Very low | 47.5 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -87.4 | 101.3 | 178 | -174.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 87 | P | 38.5 | Very low | 49.4 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | trans | -95.3 | 115.7 | 142.1 | 32.5 | -25 | 0 | 0 | 0 | 108.5 | I85 | I85-P87 VanDerWaalsContact C-CD 3.45Å; I85-P87 WeakPolarHBondContact O-CD 3.29Å | ||
| 88 | Q | 36.2 | Very low | 51.9 | Low | 178 Ų | 178 | 135 Ų | 135 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | trans | 44.8 | 91.4 | 144 | -59.4 | -167.1 | 4 | 0 | 0 | 118.3 | K90 | Q88-K90 PolarHBondContact O-N 3.35Å; Q88-K90 VanDerWaalsContact O-N 3.16Å | ||
| 89 | V | 47.5 | Very low | 54.3 | Low | 144 Ų | 144 | 134.5 Ų | 134.5 | 87% | 0.873 | 73% | 0.731 | S | S | * | * | trans | 2.3 | 94.4 | 133.2 | -174.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 90 | K | 49.7 | Very low | 56.9 | Low | 204 Ų | 204 | 127.3 Ų | 127.3 | 89% | 0.887 | 70% | 0.702 | S | S | * | * | trans | -166.8 | 122.7 | 157.4 | -114 | 174.9 | 179.7 | -179.5 | 0 | 109.7 | Q88 | Q88-K90 PolarHBondContact O-N 3.35Å; Q88-K90 VanDerWaalsContact O-N 3.16Å | ||
| 91 | G | 52.5 | Low | 59.7 | Low | 62 Ų | 62 | 126 Ų | 126 | 64% | 0.639 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 86.5 | 117.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 92 | D | 56.8 | Low | 62.2 | Low | 122 Ų | 122 | 120.4 Ų | 120.4 | 65% | 0.652 | 66% | 0.66 | S | S | * | * | S | Bend | -155.9 | 12.2 | 63.6 | -69.2 | -34.2 | 0 | 0 | 0 | 114.9 | D94 M95 | D92-D94 PolarHBondContact O-N 2.87Å; D92-M95 PolarHBondContact O-N 3.43Å | |
| 93 | E | 63.7 | Low | 65 | Low | 189 Ų | 189 | 118.4 Ų | 118.4 | 88% | 0.883 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.1 | -30.9 | -177.7 | -67.8 | -178.1 | 179.8 | 0 | 0 | 114.4 | M95 G96 | E93-M95 VanDerWaalsContact C-N 3.31Å; E93-M95 PolarHBondContact O-N 3.32Å; E93-G96 PolarHBondContact O-N 3.17Å |
| 94 | D | 71.8 | Confident | 67.3 | Low | 132 Ų | 132 | 115 Ų | 115 | 71% | 0.706 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.2 | -34 | 178.6 | -166 | 27.9 | 0 | 0 | 0 | 111.9 | D92 G96 H97 E98 | D92-D94 PolarHBondContact O-N 2.87Å; D94-G96 VanDerWaalsContact C-N 3.29Å; D94-G96 PolarHBondContact O-N 2.95Å; D94-H97 PolarHBondContact O-N 2.69Å; D94-E98 PolarHBondContact O-N 2.89Å; D94-E98 VanDerWaalsContact O-N 3.16Å |
| 95 | M | 78.7 | Confident | 70 | Confident | 116 Ų | 116 | 114.3 Ų | 114.3 | 57% | 0.571 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.7 | -34.3 | 177.8 | -70.2 | -166.3 | -164.6 | 0 | 0 | 112.1 | D92 E93 E98 V99 | D92-M95 PolarHBondContact O-N 3.43Å; E93-M95 VanDerWaalsContact C-N 3.31Å; E93-M95 PolarHBondContact O-N 3.32Å; M95-E98 PolarHBondContact O-N 3.12Å; M95-V99 VanDerWaalsContact O-CB 3.28Å; M95-V99 WeakPolarHBondContact O-CB 3.24Å; M95-V99 WeakPolarHBondContact O-CG2 3.28Å; M95-V99 PolarHBondContact O-N 2.77Å |
| 96 | G | 83 | Confident | 72.5 | Confident | 50 Ų | 50 | 109.9 Ų | 109.9 | 52% | 0.515 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66 | -41.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E93 D94 G100 | E93-G96 PolarHBondContact O-N 3.17Å; D94-G96 VanDerWaalsContact C-N 3.29Å; D94-G96 PolarHBondContact O-N 2.95Å; G96-G100 PolarHBondContact O-N 2.94Å |
| 97 | H | 84.9 | Confident | 75.2 | Confident | 147 Ų | 147 | 106.8 Ų | 106.8 | 68% | 0.681 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.7 | -41.6 | 177 | 179.1 | -92 | 0 | 0 | 0 | 111.6 | D94 G100 S101 | D94-H97 PolarHBondContact O-N 2.69Å; H97-G100 PolarHBondContact O-N 2.69Å; H97-S101 WeakPolarHBondContact O-CB 3.26Å; H97-S101 PolarHBondContact O-N 2.92Å |
| 98 | E | 88.5 | Confident | 77.9 | Confident | 96 Ų | 96 | 106.3 Ų | 106.3 | 45% | 0.449 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -58.6 | -50.7 | 174.4 | -176.7 | 173.8 | -166.8 | 0 | 0 | 110.9 | D94 M95 G100 S101 M102 | D94-E98 PolarHBondContact O-N 2.89Å; D94-E98 VanDerWaalsContact O-N 3.16Å; M95-E98 PolarHBondContact O-N 3.12Å; E98-G100 PolarHBondContact O-N 3.22Å; E98-S101 PolarHBondContact O-N 2.87Å; E98-S101 PolarHBondContact O-OG 3.28Å; E98-M102 HydrophobicContact CG-CE 3.51Å; E98-M102 HydrophobicContact CG-SD 4.14Å; E98-M102 VanDerWaalsContact O-CG 3.29Å; E98-M102 WeakPolarHBondContact O-CG 3.45Å; E98-M102 PolarHBondContact O-N 2.91Å; E98-M102 WeakPolarHBondContact OE1-CE 3.46Å |
| 99 | V | 88.1 | Confident | 80.7 | Confident | 78 Ų | 78 | 101.9 Ų | 101.9 | 47% | 0.473 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.9 | -44.6 | 177.2 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | M95 S101 M102 L103 | M95-V99 VanDerWaalsContact O-CB 3.28Å; M95-V99 WeakPolarHBondContact O-CB 3.24Å; M95-V99 WeakPolarHBondContact O-CG2 3.28Å; M95-V99 PolarHBondContact O-N 2.77Å; V99-S101 PolarHBondContact O-N 3.4Å; V99-M102 PolarHBondContact O-N 3.33Å; V99-L103 HydrophobicContact CG1-CD1 3.96Å; V99-L103 HydrophobicContact CG1-CG 4.29Å; V99-L103 WeakPolarHBondContact O-CB 3.23Å; V99-L103 VanDerWaalsContact O-CG 3.24Å; V99-L103 WeakPolarHBondContact O-CG 3.4Å; V99-L103 PolarHBondContact O-N 3.47Å |
| 100 | G | 89.8 | Confident | 82.9 | Confident | 30 Ų | 30 | 99.9 Ų | 99.9 | 31% | 0.309 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58.2 | -46.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G96 H97 E98 M102 L103 D104 | G96-G100 PolarHBondContact O-N 2.94Å; H97-G100 PolarHBondContact O-N 2.69Å; E98-G100 PolarHBondContact O-N 3.22Å; G100-M102 VanDerWaalsContact C-N 3.32Å; G100-M102 PolarHBondContact O-N 3.46Å; G100-L103 PolarHBondContact O-N 2.86Å; G100-D104 PolarHBondContact O-N 2.87Å |
| 101 | S | 90.5 | Very high | 85.2 | Confident | 39 Ų | 39 | 97.2 Ų | 97.2 | 27% | 0.273 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.5 | -34.4 | 177.5 | 81 | 0 | 0 | 0 | 0 | 113.1 | H97 E98 V99 K105 | H97-S101 WeakPolarHBondContact O-CB 3.26Å; H97-S101 PolarHBondContact O-N 2.92Å; E98-S101 PolarHBondContact O-N 2.87Å; E98-S101 PolarHBondContact O-OG 3.28Å; V99-S101 PolarHBondContact O-N 3.4Å; S101-K105 VanDerWaalsContact O-CG 3.26Å; S101-K105 WeakPolarHBondContact O-CG 3.11Å; S101-K105 PolarHBondContact O-N 2.91Å; S101-K105 VanDerWaalsContact O-N 3.12Å |
| 102 | M | 90.9 | Very high | 87.3 | Confident | 93 Ų | 93 | 99.4 Ų | 99.4 | 46% | 0.458 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.5 | -38.6 | 174.8 | -72.9 | 178.9 | 177.9 | 0 | 0 | 111.1 | E98 V99 G100 S106 | E98-M102 HydrophobicContact CG-CE 3.51Å; E98-M102 HydrophobicContact CG-SD 4.14Å; E98-M102 VanDerWaalsContact O-CG 3.29Å; E98-M102 WeakPolarHBondContact O-CG 3.45Å; E98-M102 PolarHBondContact O-N 2.91Å; E98-M102 WeakPolarHBondContact OE1-CE 3.46Å; V99-M102 PolarHBondContact O-N 3.33Å; G100-M102 VanDerWaalsContact C-N 3.32Å; G100-M102 PolarHBondContact O-N 3.46Å; M102-S106 VanDerWaalsContact O-CB 3.28Å; M102-S106 WeakPolarHBondContact O-CB 3.36Å; M102-S106 PolarHBondContact O-N 3.37Å; M102-S106 PolarHBondContact O-OG 2.86Å |
| 103 | L | 93.3 | Very high | 89.2 | Confident | 113 Ų | 113 | 97.8 Ų | 97.8 | 59% | 0.592 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.4 | -41.7 | 176 | -71.4 | 173.4 | 0 | 0 | 0 | 111.9 | V99 G100 S106 G107 | V99-L103 HydrophobicContact CG1-CD1 3.96Å; V99-L103 HydrophobicContact CG1-CG 4.29Å; V99-L103 WeakPolarHBondContact O-CB 3.23Å; V99-L103 VanDerWaalsContact O-CG 3.24Å; V99-L103 WeakPolarHBondContact O-CG 3.4Å; V99-L103 PolarHBondContact O-N 3.47Å; G100-L103 PolarHBondContact O-N 2.86Å; L103-S106 PolarHBondContact O-N 2.9Å; L103-G107 PolarHBondContact O-N 3.28Å |
| 104 | D | 93 | Very high | 90.8 | Very high | 118 Ų | 118 | 93.4 Ų | 93.4 | 63% | 0.631 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.1 | -47.1 | 175.9 | -79.3 | -13.2 | 0 | 0 | 0 | 111.4 | G100 S106 G107 D108 | G100-D104 PolarHBondContact O-N 2.87Å; D104-S106 VanDerWaalsContact C-N 3.32Å; D104-S106 PolarHBondContact O-N 3.18Å; D104-G107 PolarHBondContact O-N 3.38Å; D104-G107 VanDerWaalsContact O-N 3.17Å; D104-D108 PolarHBondContact O-N 2.84Å |
| 105 | K | 93.9 | Very high | 92 | Very high | 133 Ų | 133 | 90.6 Ų | 90.6 | 58% | 0.578 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.8 | -45.1 | 174.1 | -72.6 | 170.4 | -174.3 | 170.7 | 0 | 111.5 | S101 G107 D108 D109 | S101-K105 VanDerWaalsContact O-CG 3.26Å; S101-K105 WeakPolarHBondContact O-CG 3.11Å; S101-K105 PolarHBondContact O-N 2.91Å; S101-K105 VanDerWaalsContact O-N 3.12Å; K105-G107 VanDerWaalsContact C-N 3.32Å; K105-G107 PolarHBondContact O-N 3.41Å; K105-D108 PolarHBondContact O-N 3.45Å; K105-D109 WeakPolarHBondContact O-CB 3.46Å; K105-D109 VanDerWaalsContact O-CG 3.24Å; K105-D109 PolarHBondContact O-N 3.33Å |
| 106 | S | 92.9 | Very high | 92.9 | Very high | 59 Ų | 59 | 90.7 Ų | 90.7 | 41% | 0.413 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 176.6 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | M102 L103 D104 D109 I110 | M102-S106 VanDerWaalsContact O-CB 3.28Å; M102-S106 WeakPolarHBondContact O-CB 3.36Å; M102-S106 PolarHBondContact O-N 3.37Å; M102-S106 PolarHBondContact O-OG 2.86Å; L103-S106 PolarHBondContact O-N 2.9Å; D104-S106 VanDerWaalsContact C-N 3.32Å; D104-S106 PolarHBondContact O-N 3.18Å; S106-D109 PolarHBondContact O-N 3.48Å; S106-I110 WeakPolarHBondContact O-CB 3.33Å; S106-I110 WeakPolarHBondContact O-CD1 3.34Å; S106-I110 WeakPolarHBondContact O-CG1 3.4Å; S106-I110 PolarHBondContact O-N 2.95Å |
| 107 | G | 94.5 | Very high | 93.7 | Very high | 36 Ų | 36 | 93.9 Ų | 93.9 | 37% | 0.371 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L103 D104 K105 I110 Y111 | L103-G107 PolarHBondContact O-N 3.28Å; D104-G107 PolarHBondContact O-N 3.38Å; D104-G107 VanDerWaalsContact O-N 3.17Å; K105-G107 VanDerWaalsContact C-N 3.32Å; K105-G107 PolarHBondContact O-N 3.41Å; G107-I110 PolarHBondContact O-N 2.84Å; G107-Y111 WeakPolarHBondContact O-CB 3.32Å; G107-Y111 PolarHBondContact O-N 2.84Å |
| 108 | D | 94.9 | Very high | 94.3 | Very high | 94 Ų | 94 | 93 Ų | 93 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 174.8 | -85.1 | -10 | 0 | 0 | 0 | 112 | D104 K105 Y111 K112 | D104-D108 PolarHBondContact O-N 2.84Å; K105-D108 PolarHBondContact O-N 3.45Å; D108-Y111 PolarHBondContact O-N 2.98Å; D108-K112 WeakPolarHBondContact O-CB 3.33Å; D108-K112 VanDerWaalsContact O-CG 3.24Å; D108-K112 WeakPolarHBondContact O-CG 3.29Å; D108-K112 PolarHBondContact O-N 3.13Å |
| 109 | D | 95.1 | Very high | 94.7 | Very high | 85 Ų | 85 | 93.1 Ų | 93.1 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.2 | -38.2 | 179.8 | -69.7 | -16.9 | 0 | 0 | 0 | 111.1 | K105 S106 K112 T113 | K105-D109 WeakPolarHBondContact O-CB 3.46Å; K105-D109 VanDerWaalsContact O-CG 3.24Å; K105-D109 PolarHBondContact O-N 3.33Å; S106-D109 PolarHBondContact O-N 3.48Å; D109-K112 IonicContact OD1-NZ 2.77Å; D109-K112 PolarHBondContact OD1-NZ 2.9Å; D109-T113 VanDerWaalsContact O-CB 3.23Å; D109-T113 WeakPolarHBondContact O-CB 3.24Å; D109-T113 PolarHBondContact O-N 2.88Å; D109-T113 PolarHBondContact O-OG1 3.32Å |
| 110 | I | 95.5 | Very high | 95.2 | Very high | 102 Ų | 102 | 97.3 Ų | 97.3 | 52% | 0.523 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 169.5 | -69.6 | 162.4 | 0 | 0 | 0 | 110.1 | S106 G107 T113 L114 | S106-I110 WeakPolarHBondContact O-CB 3.33Å; S106-I110 WeakPolarHBondContact O-CD1 3.34Å; S106-I110 WeakPolarHBondContact O-CG1 3.4Å; S106-I110 PolarHBondContact O-N 2.95Å; G107-I110 PolarHBondContact O-N 2.84Å; I110-T113 PolarHBondContact O-N 3.46Å; I110-L114 HydrophobicContact CG2-CD1 3.75Å; I110-L114 HydrophobicContact CG2-CG 4.22Å; I110-L114 WeakPolarHBondContact O-CB 3.44Å; I110-L114 VanDerWaalsContact O-CG 3.23Å; I110-L114 WeakPolarHBondContact O-CG 3.34Å; I110-L114 PolarHBondContact O-N 2.94Å |
| 111 | Y | 96.7 | Very high | 95.6 | Very high | 148 Ų | 148 | 99.8 Ų | 99.8 | 58% | 0.58 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.4 | -46.7 | 179.8 | 179.2 | -91.8 | 0 | 0 | 0 | 112 | G107 D108 L114 H115 | G107-Y111 WeakPolarHBondContact O-CB 3.32Å; G107-Y111 PolarHBondContact O-N 2.84Å; D108-Y111 PolarHBondContact O-N 2.98Å; Y111-L114 PolarHBondContact O-N 3.5Å; Y111-H115 WeakPolarHBondContact O-CB 3.23Å; Y111-H115 PolarHBondContact O-N 3.42Å |
| 112 | K | 96.8 | Very high | 96 | Very high | 108 Ų | 108 | 102.3 Ų | 102.3 | 47% | 0.47 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 176.5 | -71 | 166.9 | -162.2 | 157.6 | 0 | 111.1 | D108 D109 L114 H115 I116 | D108-K112 WeakPolarHBondContact O-CB 3.33Å; D108-K112 VanDerWaalsContact O-CG 3.24Å; D108-K112 WeakPolarHBondContact O-CG 3.29Å; D108-K112 PolarHBondContact O-N 3.13Å; D109-K112 IonicContact OD1-NZ 2.77Å; D109-K112 PolarHBondContact OD1-NZ 2.9Å; K112-L114 PolarHBondContact O-N 3.27Å; K112-H115 PolarHBondContact O-N 3.32Å; K112-I116 VanDerWaalsContact O-CG1 3.32Å; K112-I116 WeakPolarHBondContact O-CG1 3.34Å; K112-I116 PolarHBondContact O-N 3.46Å |
| 113 | T | 96.9 | Very high | 96.3 | Very high | 88 Ų | 88 | 101.1 Ų | 101.1 | 54% | 0.54 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 178.3 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | D109 I110 H115 I116 K117 | D109-T113 VanDerWaalsContact O-CB 3.23Å; D109-T113 WeakPolarHBondContact O-CB 3.24Å; D109-T113 PolarHBondContact O-N 2.88Å; D109-T113 PolarHBondContact O-OG1 3.32Å; I110-T113 PolarHBondContact O-N 3.46Å; T113-H115 VanDerWaalsContact C-N 3.34Å; T113-H115 PolarHBondContact O-N 3.14Å; T113-I116 PolarHBondContact O-N 3.01Å; T113-K117 WeakPolarHBondContact O-CB 3.28Å; T113-K117 PolarHBondContact O-N 3.43Å |
| 114 | L | 97.5 | Very high | 96.5 | Very high | 97 Ų | 97 | 102.1 Ų | 102.1 | 51% | 0.508 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -36.6 | 175.8 | -72.5 | 176 | 0 | 0 | 0 | 112.6 | I110 Y111 K112 R118 | I110-L114 HydrophobicContact CG2-CD1 3.75Å; I110-L114 HydrophobicContact CG2-CG 4.22Å; I110-L114 WeakPolarHBondContact O-CB 3.44Å; I110-L114 VanDerWaalsContact O-CG 3.23Å; I110-L114 WeakPolarHBondContact O-CG 3.34Å; I110-L114 PolarHBondContact O-N 2.94Å; Y111-L114 PolarHBondContact O-N 3.5Å; K112-L114 PolarHBondContact O-N 3.27Å; L114-R118 WeakPolarHBondContact O-CB 3.45Å; L114-R118 PolarHBondContact O-N 3.46Å |
| 115 | H | 97.5 | Very high | 96.7 | Very high | 73 Ų | 73 | 101 Ų | 101 | 34% | 0.338 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.8 | -45.1 | 177 | -169.4 | 80.4 | 0 | 0 | 0 | 111.7 | Y111 K112 T113 R118 K119 | Y111-H115 WeakPolarHBondContact O-CB 3.23Å; Y111-H115 PolarHBondContact O-N 3.42Å; K112-H115 PolarHBondContact O-N 3.32Å; T113-H115 VanDerWaalsContact C-N 3.34Å; T113-H115 PolarHBondContact O-N 3.14Å; H115-R118 PolarHBondContact O-N 2.88Å; H115-K119 WeakPolarHBondContact O-CG 3.46Å; H115-K119 PolarHBondContact O-N 2.86Å |
| 116 | I | 97.4 | Very high | 96.9 | Very high | 117 Ų | 117 | 102.3 Ų | 102.3 | 60% | 0.6 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.9 | -49.2 | 174.8 | -68.1 | 164.3 | 0 | 0 | 0 | 109.9 | K112 T113 R118 K119 W120 | K112-I116 VanDerWaalsContact O-CG1 3.32Å; K112-I116 WeakPolarHBondContact O-CG1 3.34Å; K112-I116 PolarHBondContact O-N 3.46Å; T113-I116 PolarHBondContact O-N 3.01Å; I116-R118 VanDerWaalsContact C-N 3.3Å; I116-R118 PolarHBondContact O-N 2.77Å; I116-K119 PolarHBondContact O-N 2.76Å; I116-K119 VanDerWaalsContact O-N 3.13Å; I116-W120 PolarHBondContact O-N 2.91Å |
| 117 | K | 98.2 | Very high | 97.1 | Very high | 118 Ų | 118 | 105.5 Ų | 105.5 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.6 | -41.9 | 176.9 | -171.9 | 169.6 | -169.1 | -82.2 | 0 | 111.9 | T113 M121 | T113-K117 WeakPolarHBondContact O-CB 3.28Å; T113-K117 PolarHBondContact O-N 3.43Å; K117-M121 HydrophobicContact CG-CE 4.26Å; K117-M121 VanDerWaalsContact O-CG 3.29Å; K117-M121 WeakPolarHBondContact O-CG 3.29Å; K117-M121 PolarHBondContact O-N 3.45Å |
| 118 | R | 98.1 | Very high | 97.2 | Very high | 127 Ų | 127 | 106.3 Ų | 106.3 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 174.8 | -174.8 | -171.1 | -58.7 | 161.5 | 3.4 | 111.6 | L114 H115 I116 W120 M121 E122 | L114-R118 WeakPolarHBondContact O-CB 3.45Å; L114-R118 PolarHBondContact O-N 3.46Å; H115-R118 PolarHBondContact O-N 2.88Å; I116-R118 VanDerWaalsContact C-N 3.3Å; I116-R118 PolarHBondContact O-N 2.77Å; R118-W120 VanDerWaalsContact C-N 3.33Å; R118-W120 PolarHBondContact O-N 2.89Å; R118-M121 PolarHBondContact O-N 2.96Å; R118-E122 HydrophobicContact CG-CG 4.42Å; R118-E122 WeakPolarHBondContact CG-OE1 3.36Å; R118-E122 WeakPolarHBondContact O-CB 3.49Å; R118-E122 WeakPolarHBondContact O-CG 3.24Å; R118-E122 PolarHBondContact O-N 3.34Å |
| 119 | K | 98.2 | Very high | 97.3 | Very high | 99 Ų | 99 | 108.2 Ų | 108.2 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 179.7 | -75.7 | -73.1 | 162.9 | -148.3 | 0 | 112.2 | H115 I116 E122 T123 | H115-K119 WeakPolarHBondContact O-CG 3.46Å; H115-K119 PolarHBondContact O-N 2.86Å; I116-K119 PolarHBondContact O-N 2.76Å; I116-K119 VanDerWaalsContact O-N 3.13Å; K119-E122 IonicContact NZ-OE2 2.63Å; K119-E122 PolarHBondContact NZ-OE2 3.04Å; K119-E122 PolarHBondContact O-N 3.5Å; K119-T123 PolarHBondContact O-N 3.11Å; K119-T123 PolarHBondContact O-OG1 3.38Å |
| 120 | W | 97.8 | Very high | 97.4 | Very high | 167 Ų | 167 | 111.7 Ų | 111.7 | 63% | 0.633 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.9 | -48.1 | 174.1 | -179.7 | 80.9 | 0 | 0 | 0 | 111.5 | I116 R118 E122 T123 Y124 | I116-W120 PolarHBondContact O-N 2.91Å; R118-W120 VanDerWaalsContact C-N 3.33Å; R118-W120 PolarHBondContact O-N 2.89Å; W120-E122 PolarHBondContact O-N 3.05Å; W120-T123 PolarHBondContact O-N 3.49Å; W120-Y124 VanDerWaalsContact O-CB 3.28Å; W120-Y124 WeakPolarHBondContact O-CB 3.44Å; W120-Y124 PolarHBondContact O-N 3.42Å |
| 121 | M | 98.2 | Very high | 97.5 | Very high | 82 Ų | 82 | 108.8 Ų | 108.8 | 40% | 0.404 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 175.9 | -70.5 | -176.5 | -56 | 0 | 0 | 112.6 | K117 R118 T123 Y124 V125 | K117-M121 HydrophobicContact CG-CE 4.26Å; K117-M121 VanDerWaalsContact O-CG 3.29Å; K117-M121 WeakPolarHBondContact O-CG 3.29Å; K117-M121 PolarHBondContact O-N 3.45Å; R118-M121 PolarHBondContact O-N 2.96Å; M121-T123 PolarHBondContact O-N 2.93Å; M121-Y124 PolarHBondContact O-N 2.89Å; M121-V125 WeakPolarHBondContact O-CB 3.34Å; M121-V125 VanDerWaalsContact O-CG2 3.29Å; M121-V125 WeakPolarHBondContact O-CG2 3.23Å; M121-V125 PolarHBondContact O-N 2.85Å |
| 122 | E | 97.8 | Very high | 97.5 | Very high | 91 Ų | 91 | 105.2 Ų | 105.2 | 43% | 0.425 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.9 | -46.9 | 176.5 | -77.5 | 172.6 | -170.4 | 0 | 0 | 111.5 | R118 K119 W120 K126 | R118-E122 HydrophobicContact CG-CG 4.42Å; R118-E122 WeakPolarHBondContact CG-OE1 3.36Å; R118-E122 WeakPolarHBondContact O-CB 3.49Å; R118-E122 WeakPolarHBondContact O-CG 3.24Å; R118-E122 PolarHBondContact O-N 3.34Å; K119-E122 IonicContact NZ-OE2 2.63Å; K119-E122 PolarHBondContact NZ-OE2 3.04Å; K119-E122 PolarHBondContact O-N 3.5Å; W120-E122 PolarHBondContact O-N 3.05Å; E122-K126 VanDerWaalsContact O-CB 3.29Å; E122-K126 WeakPolarHBondContact O-CB 3.29Å; E122-K126 PolarHBondContact O-N 2.97Å |
| 123 | T | 97.9 | Very high | 97.6 | Very high | 68 Ų | 68 | 103.1 Ų | 103.1 | 42% | 0.417 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.9 | -48.3 | 177 | -63.6 | 0 | 0 | 0 | 0 | 111.3 | K119 W120 M121 V125 K126 E127 | K119-T123 PolarHBondContact O-N 3.11Å; K119-T123 PolarHBondContact O-OG1 3.38Å; W120-T123 PolarHBondContact O-N 3.49Å; M121-T123 PolarHBondContact O-N 2.93Å; T123-V125 PolarHBondContact O-N 3.05Å; T123-K126 WeakPolarHBondContact O-CB 3.44Å; T123-K126 PolarHBondContact O-N 3.22Å; T123-K126 VanDerWaalsContact O-N 3.11Å; T123-E127 HydrophobicContact CG2-CG 4.29Å; T123-E127 WeakPolarHBondContact O-CG 3.44Å; T123-E127 PolarHBondContact O-N 3.44Å |
| 124 | Y | 97.4 | Very high | 97.6 | Very high | 135 Ų | 135 | 103.3 Ų | 103.3 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.3 | -47.3 | 179.1 | 175.9 | -98 | 0 | 0 | 0 | 112 | W120 M121 K126 E127 S128 | W120-Y124 VanDerWaalsContact O-CB 3.28Å; W120-Y124 WeakPolarHBondContact O-CB 3.44Å; W120-Y124 PolarHBondContact O-N 3.42Å; M121-Y124 PolarHBondContact O-N 2.89Å; Y124-K126 PolarHBondContact O-N 3.43Å; Y124-E127 PolarHBondContact O-N 3.24Å; Y124-S128 VanDerWaalsContact O-CB 3.24Å; Y124-S128 WeakPolarHBondContact O-CB 3.49Å; Y124-S128 PolarHBondContact O-N 3.22Å; Y124-S128 PolarHBondContact O-OG 3.17Å |
| 125 | V | 97.7 | Very high | 97.6 | Very high | 94 Ų | 94 | 106.5 Ų | 106.5 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.4 | -42.9 | 176.6 | 170.5 | 0 | 0 | 0 | 0 | 111 | M121 T123 S128 F129 | M121-V125 WeakPolarHBondContact O-CB 3.34Å; M121-V125 VanDerWaalsContact O-CG2 3.29Å; M121-V125 WeakPolarHBondContact O-CG2 3.23Å; M121-V125 PolarHBondContact O-N 2.85Å; T123-V125 PolarHBondContact O-N 3.05Å; V125-S128 PolarHBondContact O-N 3.46Å; V125-F129 WeakPolarHBondContact O-CB 3.26Å; V125-F129 PolarHBondContact O-N 3.08Å |
| 126 | K | 97.7 | Very high | 97.7 | Very high | 161 Ų | 161 | 107.7 Ų | 107.7 | 70% | 0.7 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.3 | -44.2 | 179.4 | -177.8 | -178.3 | 179.1 | -177.4 | 0 | 112 | E122 T123 Y124 K130 | E122-K126 VanDerWaalsContact O-CB 3.29Å; E122-K126 WeakPolarHBondContact O-CB 3.29Å; E122-K126 PolarHBondContact O-N 2.97Å; T123-K126 WeakPolarHBondContact O-CB 3.44Å; T123-K126 PolarHBondContact O-N 3.22Å; T123-K126 VanDerWaalsContact O-N 3.11Å; Y124-K126 PolarHBondContact O-N 3.43Å; K126-K130 WeakPolarHBondContact O-CB 3.27Å; K126-K130 PolarHBondContact O-N 3.23Å |
| 127 | E | 97 | Very high | 97.7 | Very high | 125 Ų | 125 | 106.9 Ų | 106.9 | 58% | 0.584 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.3 | -43 | 178.5 | -71.4 | 177.9 | 170.6 | 0 | 0 | 111.6 | T123 Y124 F129 K130 G131 | T123-E127 HydrophobicContact CG2-CG 4.29Å; T123-E127 WeakPolarHBondContact O-CG 3.44Å; T123-E127 PolarHBondContact O-N 3.44Å; Y124-E127 PolarHBondContact O-N 3.24Å; E127-F129 VanDerWaalsContact C-N 3.34Å; E127-F129 PolarHBondContact O-N 2.97Å; E127-K130 PolarHBondContact O-N 2.77Å; E127-G131 PolarHBondContact O-N 2.85Å |
| 128 | S | 96.7 | Very high | 97.7 | Very high | 54 Ų | 54 | 108.6 Ų | 108.6 | 38% | 0.378 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.6 | -47 | 173.7 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | Y124 V125 S132 | Y124-S128 VanDerWaalsContact O-CB 3.24Å; Y124-S128 WeakPolarHBondContact O-CB 3.49Å; Y124-S128 PolarHBondContact O-N 3.22Å; Y124-S128 PolarHBondContact O-OG 3.17Å; V125-S128 PolarHBondContact O-N 3.46Å; S128-S132 VanDerWaalsContact O-CB 3.23Å; S128-S132 WeakPolarHBondContact O-CB 3.34Å; S128-S132 PolarHBondContact O-N 3.28Å |
| 129 | F | 97.4 | Very high | 97.7 | Very high | 134 Ų | 134 | 108.9 Ų | 108.9 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.6 | -38.7 | 178.5 | -167.6 | -113.7 | 0 | 0 | 0 | 112.2 | V125 E127 S132 N133 | V125-F129 WeakPolarHBondContact O-CB 3.26Å; V125-F129 PolarHBondContact O-N 3.08Å; E127-F129 VanDerWaalsContact C-N 3.34Å; E127-F129 PolarHBondContact O-N 2.97Å; F129-S132 PolarHBondContact O-N 3.31Å; F129-N133 VanDerWaalsContact CD1-ND2 3.25Å; F129-N133 WeakPolarHBondContact CD1-ND2 3.48Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.42Å; F129-N133 VanDerWaalsContact CZ-ND2 3.27Å; F129-N133 WeakPolarHBondContact CZ-ND2 3.46Å; F129-N133 VanDerWaalsContact O-CB 3.26Å; F129-N133 WeakPolarHBondContact O-CB 3.25Å; F129-N133 VanDerWaalsContact O-CG 3.23Å; F129-N133 PolarHBondContact O-N 2.65Å |
| 130 | K | 97.8 | Very high | 97.7 | Very high | 157 Ų | 157 | 107.1 Ų | 107.1 | 68% | 0.683 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.3 | -48.4 | 176.6 | -175.6 | -177.6 | 178.5 | -172.8 | 0 | 111.8 | K126 E127 Q134 | K126-K130 WeakPolarHBondContact O-CB 3.27Å; K126-K130 PolarHBondContact O-N 3.23Å; E127-K130 PolarHBondContact O-N 2.77Å; K130-Q134 WeakPolarHBondContact O-CB 2.91Å; K130-Q134 PolarHBondContact O-N 2.94Å |
| 131 | G | 96.1 | Very high | 97.8 | Very high | 41 Ų | 41 | 104.2 Ų | 104.2 | 42% | 0.423 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E127 Q134 K135 | E127-G131 PolarHBondContact O-N 2.85Å; G131-Q134 PolarHBondContact O-N 3.45Å; G131-K135 PolarHBondContact O-N 2.84Å |
| 132 | S | 97.6 | Very high | 97.8 | Very high | 74 Ų | 74 | 103 Ų | 103 | 52% | 0.517 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 177.1 | -172.9 | 0 | 0 | 0 | 0 | 112.3 | S128 F129 Q134 K135 L136 | S128-S132 VanDerWaalsContact O-CB 3.23Å; S128-S132 WeakPolarHBondContact O-CB 3.34Å; S128-S132 PolarHBondContact O-N 3.28Å; F129-S132 PolarHBondContact O-N 3.31Å; S132-Q134 PolarHBondContact O-N 3.37Å; S132-K135 WeakPolarHBondContact O-CB 3.37Å; S132-K135 PolarHBondContact O-N 3.02Å; S132-L136 PolarHBondContact O-N 2.83Å |
| 133 | N | 98.1 | Very high | 97.8 | Very high | 64 Ų | 64 | 102.6 Ų | 102.6 | 34% | 0.342 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 177.6 | -77.8 | -9.2 | 0 | 0 | 0 | 112.8 | F129 K135 L136 E137 | F129-N133 VanDerWaalsContact CD1-ND2 3.25Å; F129-N133 WeakPolarHBondContact CD1-ND2 3.48Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.42Å; F129-N133 VanDerWaalsContact CZ-ND2 3.27Å; F129-N133 WeakPolarHBondContact CZ-ND2 3.46Å; F129-N133 VanDerWaalsContact O-CB 3.26Å; F129-N133 WeakPolarHBondContact O-CB 3.25Å; F129-N133 VanDerWaalsContact O-CG 3.23Å; F129-N133 PolarHBondContact O-N 2.65Å; N133-K135 VanDerWaalsContact C-N 3.3Å; N133-K135 PolarHBondContact O-N 3.39Å; N133-L136 PolarHBondContact O-N 3.36Å; N133-E137 WeakPolarHBondContact O-CB 3.31Å; N133-E137 PolarHBondContact O-N 2.85Å |
| 134 | Q | 98.3 | Very high | 97.8 | Very high | 92 Ų | 92 | 105 Ų | 105 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | 176 | -171.3 | 179.7 | 14.3 | 0 | 0 | 111.3 | K130 G131 S132 R138 | K130-Q134 WeakPolarHBondContact O-CB 2.91Å; K130-Q134 PolarHBondContact O-N 2.94Å; G131-Q134 PolarHBondContact O-N 3.45Å; S132-Q134 PolarHBondContact O-N 3.37Å; Q134-R138 VanDerWaalsContact O-CG 3.31Å; Q134-R138 WeakPolarHBondContact O-CG 3.4Å; Q134-R138 PolarHBondContact O-N 2.79Å; Q134-R138 VanDerWaalsContact O-N 3.08Å |
| 135 | K | 97.9 | Very high | 97.9 | Very high | 164 Ų | 164 | 106 Ų | 106 | 71% | 0.713 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.8 | -44.9 | 174.7 | -172.6 | 178.1 | 180 | -179.9 | 0 | 111.1 | G131 S132 N133 R138 F139 | G131-K135 PolarHBondContact O-N 2.84Å; S132-K135 WeakPolarHBondContact O-CB 3.37Å; S132-K135 PolarHBondContact O-N 3.02Å; N133-K135 VanDerWaalsContact C-N 3.3Å; N133-K135 PolarHBondContact O-N 3.39Å; K135-R138 PolarHBondContact O-N 2.88Å; K135-F139 WeakPolarHBondContact O-CB 3.4Å; K135-F139 PolarHBondContact O-N 3.38Å |
| 136 | L | 98 | Very high | 97.9 | Very high | 97 Ų | 97 | 106.7 Ų | 106.7 | 51% | 0.508 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 176 | -179.8 | 61.6 | 0 | 0 | 0 | 111.6 | S132 N133 R138 F139 C140 | S132-L136 PolarHBondContact O-N 2.83Å; N133-L136 PolarHBondContact O-N 3.36Å; L136-R138 PolarHBondContact O-N 3.49Å; L136-F139 WeakPolarHBondContact O-CB 3.43Å; L136-F139 PolarHBondContact O-N 3.11Å; L136-C140 WeakPolarHBondContact O-CB 3.45Å; L136-C140 PolarHBondContact O-N 2.93Å; L136-C140 PolarHBondContact O-SG 3.38Å |
| 137 | E | 98.1 | Very high | 98 | Very high | 100 Ų | 100 | 104.9 Ų | 104.9 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 178.3 | -173 | -171.8 | 177.9 | 0 | 0 | 111.8 | N133 F139 C140 K141 | N133-E137 WeakPolarHBondContact O-CB 3.31Å; N133-E137 PolarHBondContact O-N 2.85Å; E137-F139 VanDerWaalsContact C-N 3.35Å; E137-C140 PolarHBondContact O-N 3.4Å; E137-K141 HydrophobicContact CG-CD 4.34Å; E137-K141 WeakPolarHBondContact O-CB 3.36Å; E137-K141 WeakPolarHBondContact O-CG 3.35Å; E137-K141 PolarHBondContact O-N 2.98Å; E137-K141 VanDerWaalsContact OE1-CE 3.24Å; E137-K141 WeakPolarHBondContact OE1-CE 3.4Å; E137-K141 IonicContact OE1-NZ 2.64Å; E137-K141 PolarHBondContact OE1-NZ 2.93Å |
| 138 | R | 98.4 | Very high | 98.1 | Very high | 155 Ų | 155 | 105.6 Ų | 105.6 | 59% | 0.585 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.2 | -42.6 | 175.9 | -71.9 | 177.3 | -170 | -172.9 | 6.7 | 111.8 | Q134 K135 L136 T142 | Q134-R138 VanDerWaalsContact O-CG 3.31Å; Q134-R138 WeakPolarHBondContact O-CG 3.4Å; Q134-R138 PolarHBondContact O-N 2.79Å; Q134-R138 VanDerWaalsContact O-N 3.08Å; K135-R138 PolarHBondContact O-N 2.88Å; L136-R138 PolarHBondContact O-N 3.49Å; R138-T142 WeakPolarHBondContact O-CB 3.24Å; R138-T142 PolarHBondContact O-N 3.15Å; R138-T142 PolarHBondContact O-OG1 3.14Å |
| 139 | F | 98.2 | Very high | 98.1 | Very high | 132 Ų | 132 | 106.9 Ų | 106.9 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.7 | -51.2 | 176.1 | 174.6 | -98.5 | 0 | 0 | 0 | 110.9 | K135 L136 E137 K141 T142 N143 | K135-F139 WeakPolarHBondContact O-CB 3.4Å; K135-F139 PolarHBondContact O-N 3.38Å; L136-F139 WeakPolarHBondContact O-CB 3.43Å; L136-F139 PolarHBondContact O-N 3.11Å; E137-F139 VanDerWaalsContact C-N 3.35Å; F139-K141 PolarHBondContact O-N 3.42Å; F139-T142 PolarHBondContact O-N 2.63Å; F139-T142 VanDerWaalsContact O-N 3.11Å; F139-N143 WeakPolarHBondContact O-CB 3.44Å; F139-N143 PolarHBondContact O-N 3.4Å |
| 140 | C | 98.5 | Very high | 98.2 | Very high | 62 Ų | 62 | 106 Ų | 106 | 42% | 0.419 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.6 | -47.2 | 178.7 | -70.6 | 0 | 0 | 0 | 0 | 112.2 | L136 E137 T142 N143 E144 | L136-C140 WeakPolarHBondContact O-CB 3.45Å; L136-C140 PolarHBondContact O-N 2.93Å; L136-C140 PolarHBondContact O-SG 3.38Å; E137-C140 PolarHBondContact O-N 3.4Å; C140-T142 VanDerWaalsContact C-N 3.29Å; C140-T142 PolarHBondContact O-N 2.88Å; C140-N143 PolarHBondContact O-N 2.91Å; C140-E144 WeakPolarHBondContact O-CB 3.49Å; C140-E144 PolarHBondContact O-N 2.95Å |
| 141 | K | 98.5 | Very high | 98.2 | Very high | 107 Ų | 107 | 102.8 Ų | 102.8 | 47% | 0.465 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -36.6 | 176.8 | -73.2 | 177.3 | -176.5 | 173.7 | 0 | 112.7 | E137 F139 R145 | E137-K141 HydrophobicContact CG-CD 4.34Å; E137-K141 WeakPolarHBondContact O-CB 3.36Å; E137-K141 WeakPolarHBondContact O-CG 3.35Å; E137-K141 PolarHBondContact O-N 2.98Å; E137-K141 VanDerWaalsContact OE1-CE 3.24Å; E137-K141 WeakPolarHBondContact OE1-CE 3.4Å; E137-K141 IonicContact OE1-NZ 2.64Å; E137-K141 PolarHBondContact OE1-NZ 2.93Å; F139-K141 PolarHBondContact O-N 3.42Å; K141-R145 WeakPolarHBondContact O-CB 3.33Å; K141-R145 PolarHBondContact O-N 3.42Å; K141-R145 VanDerWaalsContact O-N 3.16Å |
| 142 | T | 98.6 | Very high | 98.3 | Very high | 56 Ų | 56 | 104.4 Ų | 104.4 | 34% | 0.344 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.4 | -48.4 | 178.4 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | R138 F139 C140 E144 R145 E146 | R138-T142 WeakPolarHBondContact O-CB 3.24Å; R138-T142 PolarHBondContact O-N 3.15Å; R138-T142 PolarHBondContact O-OG1 3.14Å; F139-T142 PolarHBondContact O-N 2.63Å; F139-T142 VanDerWaalsContact O-N 3.11Å; C140-T142 VanDerWaalsContact C-N 3.29Å; C140-T142 PolarHBondContact O-N 2.88Å; T142-E144 VanDerWaalsContact C-N 3.33Å; T142-E144 PolarHBondContact O-N 2.89Å; T142-R145 WeakPolarHBondContact O-CB 3.36Å; T142-R145 PolarHBondContact O-N 3.45Å; T142-R145 VanDerWaalsContact O-N 3.15Å; T142-E146 WeakPolarHBondContact O-CG 3.38Å; T142-E146 PolarHBondContact O-N 3.45Å |
| 143 | N | 98.5 | Very high | 98.3 | Very high | 82 Ų | 82 | 106.4 Ų | 106.4 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 176 | -176.1 | 56.8 | 0 | 0 | 0 | 112.2 | F139 C140 R145 E146 R147 | F139-N143 WeakPolarHBondContact O-CB 3.44Å; F139-N143 PolarHBondContact O-N 3.4Å; C140-N143 PolarHBondContact O-N 2.91Å; N143-R145 PolarHBondContact O-N 3.37Å; N143-E146 PolarHBondContact O-N 3.16Å; N143-R147 WeakPolarHBondContact O-CB 3.4Å; N143-R147 PolarHBondContact O-N 2.97Å |
| 144 | E | 98.5 | Very high | 98.3 | Very high | 119 Ų | 119 | 109.5 Ų | 109.5 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.2 | -44.5 | 175.1 | -173.6 | -175 | 176.6 | 0 | 0 | 112 | C140 T142 R147 K148 | C140-E144 WeakPolarHBondContact O-CB 3.49Å; C140-E144 PolarHBondContact O-N 2.95Å; T142-E144 VanDerWaalsContact C-N 3.33Å; T142-E144 PolarHBondContact O-N 2.89Å; E144-R147 PolarHBondContact O-N 2.95Å; E144-K148 WeakPolarHBondContact O-CB 3.47Å; E144-K148 PolarHBondContact O-N 2.89Å |
| 145 | R | 98.5 | Very high | 98.3 | Very high | 156 Ų | 156 | 107.6 Ų | 107.6 | 59% | 0.589 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.9 | -43.5 | 177 | -170.7 | -170 | -56.9 | 112.7 | 2.3 | 111.7 | K141 T142 N143 K148 N149 | K141-R145 WeakPolarHBondContact O-CB 3.33Å; K141-R145 PolarHBondContact O-N 3.42Å; K141-R145 VanDerWaalsContact O-N 3.16Å; T142-R145 WeakPolarHBondContact O-CB 3.36Å; T142-R145 PolarHBondContact O-N 3.45Å; T142-R145 VanDerWaalsContact O-N 3.15Å; N143-R145 PolarHBondContact O-N 3.37Å; R145-K148 PolarHBondContact O-N 3.01Å; R145-N149 WeakPolarHBondContact O-CB 3.46Å; R145-N149 PolarHBondContact O-N 3.32Å |
| 146 | E | 98.6 | Very high | 98.3 | Very high | 108 Ų | 108 | 106 Ų | 106 | 51% | 0.505 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 177.8 | -74.1 | 177.6 | 177.1 | 0 | 0 | 111.4 | T142 N143 K148 N149 I150 | T142-E146 WeakPolarHBondContact O-CG 3.38Å; T142-E146 PolarHBondContact O-N 3.45Å; N143-E146 PolarHBondContact O-N 3.16Å; E146-K148 VanDerWaalsContact C-N 3.32Å; E146-K148 PolarHBondContact O-N 2.99Å; E146-N149 WeakPolarHBondContact O-CB 3.36Å; E146-N149 PolarHBondContact O-N 3.36Å; E146-N149 VanDerWaalsContact O-N 3.14Å; E146-I150 WeakPolarHBondContact O-CG1 3.46Å; E146-I150 PolarHBondContact O-N 2.95Å |
| 147 | R | 98.6 | Very high | 98.3 | Very high | 124 Ų | 124 | 107.5 Ų | 107.5 | 47% | 0.468 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.3 | -44 | 175 | -172.3 | 176.9 | 66 | 104.1 | -0.2 | 111.8 | G16 N143 E144 I150 N151 | G16-R147 PolarHBondContact O-NH1 3.46Å; N143-R147 WeakPolarHBondContact O-CB 3.4Å; N143-R147 PolarHBondContact O-N 2.97Å; E144-R147 PolarHBondContact O-N 2.95Å; R147-I150 PolarHBondContact O-N 3.38Å; R147-N151 WeakPolarHBondContact O-CB 3.4Å; R147-N151 PolarHBondContact O-N 3.29Å |
| 148 | K | 98.5 | Very high | 98.2 | Very high | 140 Ų | 140 | 109 Ų | 109 | 61% | 0.609 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.3 | -42.6 | 175.3 | -174.4 | 176.3 | -178.2 | 174.3 | 0 | 111.9 | E144 R145 E146 N151 N152 | E144-K148 WeakPolarHBondContact O-CB 3.47Å; E144-K148 PolarHBondContact O-N 2.89Å; R145-K148 PolarHBondContact O-N 3.01Å; E146-K148 VanDerWaalsContact C-N 3.32Å; E146-K148 PolarHBondContact O-N 2.99Å; K148-N151 PolarHBondContact O-N 3.43Å; K148-N152 WeakPolarHBondContact O-CB 3.49Å; K148-N152 PolarHBondContact O-N 3.42Å; K148-N152 PolarHBondContact O-OD1 3.21Å |
| 149 | N | 98.4 | Very high | 98.2 | Very high | 81 Ų | 81 | 106.3 Ų | 106.3 | 43% | 0.433 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 177.9 | -176.5 | 43.4 | 0 | 0 | 0 | 112 | R145 E146 N152 K153 | R145-N149 WeakPolarHBondContact O-CB 3.46Å; R145-N149 PolarHBondContact O-N 3.32Å; E146-N149 WeakPolarHBondContact O-CB 3.36Å; E146-N149 PolarHBondContact O-N 3.36Å; E146-N149 VanDerWaalsContact O-N 3.14Å; N149-N152 PolarHBondContact O-N 3.32Å; N149-K153 WeakPolarHBondContact O-CG 3.44Å; N149-K153 PolarHBondContact O-N 3.33Å |
| 150 | I | 98.2 | Very high | 98.2 | Very high | 114 Ų | 114 | 103.8 Ų | 103.8 | 59% | 0.585 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.5 | -48 | 175.9 | -68.2 | 165.8 | 0 | 0 | 0 | 110.2 | E146 R147 N152 K153 F154 | E146-I150 WeakPolarHBondContact O-CG1 3.46Å; E146-I150 PolarHBondContact O-N 2.95Å; R147-I150 PolarHBondContact O-N 3.38Å; I150-N152 VanDerWaalsContact C-N 3.34Å; I150-N152 PolarHBondContact O-N 3.27Å; I150-K153 PolarHBondContact O-N 3.29Å; I150-F154 WeakPolarHBondContact O-CB 3.04Å; I150-F154 PolarHBondContact O-N 2.96Å |
| 151 | N | 98.3 | Very high | 98.2 | Very high | 91 Ų | 91 | 105.1 Ų | 105.1 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 178.3 | -174 | 75.9 | 0 | 0 | 0 | 112 | R147 K148 F154 C155 | R147-N151 WeakPolarHBondContact O-CB 3.4Å; R147-N151 PolarHBondContact O-N 3.29Å; K148-N151 PolarHBondContact O-N 3.43Å; N151-F154 PolarHBondContact O-N 3Å; N151-C155 WeakPolarHBondContact O-CB 3.47Å; N151-C155 PolarHBondContact O-N 2.89Å; N151-C155 PolarHBondContact O-SG 2.89Å |
| 152 | N | 98.3 | Very high | 98.2 | Very high | 74 Ų | 74 | 104.5 Ų | 104.5 | 40% | 0.396 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 177.2 | -74 | -1.5 | 0 | 0 | 0 | 111.9 | K148 N149 I150 F154 C155 E156 | K148-N152 WeakPolarHBondContact O-CB 3.49Å; K148-N152 PolarHBondContact O-N 3.42Å; K148-N152 PolarHBondContact O-OD1 3.21Å; N149-N152 PolarHBondContact O-N 3.32Å; I150-N152 VanDerWaalsContact C-N 3.34Å; I150-N152 PolarHBondContact O-N 3.27Å; N152-F154 VanDerWaalsContact C-N 3.28Å; N152-F154 PolarHBondContact O-N 3.1Å; N152-C155 PolarHBondContact O-N 3.35Å; N152-E156 WeakPolarHBondContact O-CG 3.36Å; N152-E156 PolarHBondContact O-N 2.93Å |
| 153 | K | 98 | Very high | 98.1 | Very high | 116 Ų | 116 | 107.7 Ų | 107.7 | 50% | 0.504 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.7 | -42 | 176.3 | -73.4 | 178.2 | 178.6 | -174.5 | 0 | 111.9 | N149 I150 E156 Q157 | N149-K153 WeakPolarHBondContact O-CG 3.44Å; N149-K153 PolarHBondContact O-N 3.33Å; I150-K153 PolarHBondContact O-N 3.29Å; K153-E156 PolarHBondContact O-N 2.8Å; K153-Q157 WeakPolarHBondContact O-CG 3.32Å; K153-Q157 PolarHBondContact O-N 2.94Å |
| 154 | F | 97.3 | Very high | 98.1 | Very high | 129 Ų | 129 | 110 Ų | 110 | 57% | 0.566 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.2 | -45.4 | 176.7 | -175.1 | -97.6 | 0 | 0 | 0 | 111.7 | I150 N151 N152 E156 Q157 Y158 | I150-F154 WeakPolarHBondContact O-CB 3.04Å; I150-F154 PolarHBondContact O-N 2.96Å; N151-F154 PolarHBondContact O-N 3Å; N152-F154 VanDerWaalsContact C-N 3.28Å; N152-F154 PolarHBondContact O-N 3.1Å; F154-E156 PolarHBondContact O-N 3.05Å; F154-Q157 PolarHBondContact O-N 2.76Å; F154-Y158 PolarHBondContact O-N 3.43Å |
| 155 | C | 97.8 | Very high | 98.1 | Very high | 52 Ų | 52 | 107.1 Ų | 107.1 | 35% | 0.351 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 174.7 | -71.9 | 0 | 0 | 0 | 0 | 112.2 | N151 N152 Q157 Y158 I159 | N151-C155 WeakPolarHBondContact O-CB 3.47Å; N151-C155 PolarHBondContact O-N 2.89Å; N151-C155 PolarHBondContact O-SG 2.89Å; N152-C155 PolarHBondContact O-N 3.35Å; C155-Q157 PolarHBondContact O-N 3.49Å; C155-Y158 PolarHBondContact O-N 2.95Å; C155-I159 WeakPolarHBondContact O-CB 3.41Å; C155-I159 VanDerWaalsContact O-CG1 3.26Å; C155-I159 WeakPolarHBondContact O-CG1 3.39Å; C155-I159 PolarHBondContact O-N 3.4Å |
| 156 | E | 98 | Very high | 98.1 | Very high | 131 Ų | 131 | 104.2 Ų | 104.2 | 61% | 0.612 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.7 | -44 | 176.4 | -75.2 | 174.2 | -178.7 | 0 | 0 | 111.9 | N152 K153 F154 Y158 I159 S160 | N152-E156 WeakPolarHBondContact O-CG 3.36Å; N152-E156 PolarHBondContact O-N 2.93Å; K153-E156 PolarHBondContact O-N 2.8Å; F154-E156 PolarHBondContact O-N 3.05Å; E156-Y158 PolarHBondContact O-N 3.5Å; E156-I159 PolarHBondContact O-N 3.47Å; E156-S160 WeakPolarHBondContact O-CB 3.09Å; E156-S160 PolarHBondContact O-N 3.15Å |
| 157 | Q | 98.1 | Very high | 98.1 | Very high | 128 Ų | 128 | 103.7 Ų | 103.7 | 60% | 0.598 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.2 | -43.7 | 175.1 | -75.6 | -179.9 | -15.5 | 0 | 0 | 111.9 | K153 F154 C155 S160 T161 | K153-Q157 WeakPolarHBondContact O-CG 3.32Å; K153-Q157 PolarHBondContact O-N 2.94Å; F154-Q157 PolarHBondContact O-N 2.76Å; C155-Q157 PolarHBondContact O-N 3.49Å; Q157-S160 PolarHBondContact O-N 3.28Å; Q157-T161 WeakPolarHBondContact O-CB 3.17Å; Q157-T161 PolarHBondContact O-N 3.48Å; Q157-T161 PolarHBondContact O-OG1 3.11Å |
| 158 | Y | 97.1 | Very high | 98.1 | Very high | 133 Ų | 133 | 101.3 Ų | 101.3 | 52% | 0.522 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -51.9 | 177.2 | -169.9 | -91.8 | 0 | 0 | 0 | 110.7 | F154 C155 E156 S160 T161 F162 | F154-Y158 PolarHBondContact O-N 3.43Å; C155-Y158 PolarHBondContact O-N 2.95Å; E156-Y158 PolarHBondContact O-N 3.5Å; Y158-S160 VanDerWaalsContact C-N 3.33Å; Y158-S160 PolarHBondContact O-N 2.91Å; Y158-T161 PolarHBondContact O-N 2.87Å; Y158-T161 VanDerWaalsContact O-N 3.15Å; Y158-F162 AromaticContact CD1-CD2 3.62Å; Y158-F162 HydrophobicContact CD1-CD2 3.62Å; Y158-F162 AromaticContact CD1-CE2 3.89Å; Y158-F162 HydrophobicContact CD1-CE2 3.89Å; Y158-F162 HydrophobicContact CD2-CD2 4.17Å; Y158-F162 AromaticContact CD2-CE2 3.83Å; Y158-F162 HydrophobicContact CD2-CE2 3.83Å; Y158-F162 AromaticContact CE1-CD2 3.38Å; Y158-F162 HydrophobicContact CE1-CD2 3.38Å; Y158-F162 AromaticContact CE1-CE2 3.3Å; Y158-F162 HydrophobicContact CE1-CE2 3.3Å; Y158-F162 HydrophobicContact CE1-CG 4.15Å; Y158-F162 AromaticContact CE1-CZ 3.95Å; Y158-F162 HydrophobicContact CE1-CZ 3.95Å; Y158-F162 AromaticContact CE2-CD2 3.98Å; Y158-F162 HydrophobicContact CE2-CD2 3.98Å; Y158-F162 AromaticContact CE2-CE2 3.25Å; Y158-F162 HydrophobicContact CE2-CE2 3.25Å; Y158-F162 HydrophobicContact CE2-CZ 4.03Å; Y158-F162 HydrophobicContact CG-CD2 4.02Å; Y158-F162 HydrophobicContact CG-CE2 4.14Å; Y158-F162 AromaticContact CZ-CD2 3.59Å; Y158-F162 AromaticContact CZ-CE2 2.94Å; Y158-F162 AromaticContact CZ-CZ 3.45Å; Y158-F162 VanDerWaalsContact CZ-CZ 3.45Å; Y158-F162 WeakPolarHBondContact O-CD2 3.26Å; Y158-F162 PolarHBondContact O-N 3.19Å; Y158-F162 WeakPolarHBondContact OH-CE2 3.32Å; Y158-F162 WeakPolarHBondContact OH-CZ 3.5Å |
| 159 | I | 98 | Very high | 98.1 | Very high | 98 Ų | 98 | 98.3 Ų | 98.3 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.5 | -48 | 178.6 | -69 | 164.8 | 0 | 0 | 0 | 110.7 | C155 E156 T161 F162 M163 | C155-I159 WeakPolarHBondContact O-CB 3.41Å; C155-I159 VanDerWaalsContact O-CG1 3.26Å; C155-I159 WeakPolarHBondContact O-CG1 3.39Å; C155-I159 PolarHBondContact O-N 3.4Å; E156-I159 PolarHBondContact O-N 3.47Å; I159-T161 VanDerWaalsContact C-N 3.33Å; I159-T161 PolarHBondContact O-N 3.2Å; I159-F162 PolarHBondContact O-N 2.94Å; I159-M163 HydrophobicContact CG2-CG 4.36Å; I159-M163 HydrophobicContact CG2-SD 3.97Å; I159-M163 VanDerWaalsContact O-CG 3.31Å; I159-M163 WeakPolarHBondContact O-CG 3.49Å; I159-M163 PolarHBondContact O-N 3.01Å |
| 160 | S | 98.1 | Very high | 98.1 | Very high | 78 Ų | 78 | 100.3 Ų | 100.3 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 178.8 | -177.7 | 0 | 0 | 0 | 0 | 112.4 | E156 Q157 Y158 M163 K164 | E156-S160 WeakPolarHBondContact O-CB 3.09Å; E156-S160 PolarHBondContact O-N 3.15Å; Q157-S160 PolarHBondContact O-N 3.28Å; Y158-S160 VanDerWaalsContact C-N 3.33Å; Y158-S160 PolarHBondContact O-N 2.91Å; S160-M163 PolarHBondContact O-N 3.3Å; S160-K164 WeakPolarHBondContact O-CB 3.31Å; S160-K164 PolarHBondContact O-N 2.9Å |
| 161 | T | 98 | Very high | 98.2 | Very high | 90 Ų | 90 | 100.7 Ų | 100.7 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.9 | -43.7 | 178 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | Q157 Y158 I159 K164 S165 | Q157-T161 WeakPolarHBondContact O-CB 3.17Å; Q157-T161 PolarHBondContact O-N 3.48Å; Q157-T161 PolarHBondContact O-OG1 3.11Å; Y158-T161 PolarHBondContact O-N 2.87Å; Y158-T161 VanDerWaalsContact O-N 3.15Å; I159-T161 VanDerWaalsContact C-N 3.33Å; I159-T161 PolarHBondContact O-N 3.2Å; T161-K164 PolarHBondContact O-N 3.28Å; T161-S165 PolarHBondContact O-N 2.94Å |
| 162 | F | 98 | Very high | 98.2 | Very high | 95 Ų | 95 | 102.5 Ų | 102.5 | 42% | 0.417 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.7 | -44.5 | 177.9 | -89.5 | -93 | 0 | 0 | 0 | 112.2 | Y158 I159 K164 S165 D166 | Y158-F162 AromaticContact CD1-CD2 3.62Å; Y158-F162 HydrophobicContact CD1-CD2 3.62Å; Y158-F162 AromaticContact CD1-CE2 3.89Å; Y158-F162 HydrophobicContact CD1-CE2 3.89Å; Y158-F162 HydrophobicContact CD2-CD2 4.17Å; Y158-F162 AromaticContact CD2-CE2 3.83Å; Y158-F162 HydrophobicContact CD2-CE2 3.83Å; Y158-F162 AromaticContact CE1-CD2 3.38Å; Y158-F162 HydrophobicContact CE1-CD2 3.38Å; Y158-F162 AromaticContact CE1-CE2 3.3Å; Y158-F162 HydrophobicContact CE1-CE2 3.3Å; Y158-F162 HydrophobicContact CE1-CG 4.15Å; Y158-F162 AromaticContact CE1-CZ 3.95Å; Y158-F162 HydrophobicContact CE1-CZ 3.95Å; Y158-F162 AromaticContact CE2-CD2 3.98Å; Y158-F162 HydrophobicContact CE2-CD2 3.98Å; Y158-F162 AromaticContact CE2-CE2 3.25Å; Y158-F162 HydrophobicContact CE2-CE2 3.25Å; Y158-F162 HydrophobicContact CE2-CZ 4.03Å; Y158-F162 HydrophobicContact CG-CD2 4.02Å; Y158-F162 HydrophobicContact CG-CE2 4.14Å; Y158-F162 AromaticContact CZ-CD2 3.59Å; Y158-F162 AromaticContact CZ-CE2 2.94Å; Y158-F162 AromaticContact CZ-CZ 3.45Å; Y158-F162 VanDerWaalsContact CZ-CZ 3.45Å; Y158-F162 WeakPolarHBondContact O-CD2 3.26Å; Y158-F162 PolarHBondContact O-N 3.19Å; Y158-F162 WeakPolarHBondContact OH-CE2 3.32Å; Y158-F162 WeakPolarHBondContact OH-CZ 3.5Å; I159-F162 PolarHBondContact O-N 2.94Å; F162-K164 PolarHBondContact O-N 3.41Å; F162-S165 WeakPolarHBondContact O-CB 3.42Å; F162-S165 PolarHBondContact O-N 3.49Å; F162-S165 VanDerWaalsContact O-N 3.11Å; F162-D166 PolarHBondContact O-N 3.34Å |
| 163 | M | 98.4 | Very high | 98.2 | Very high | 122 Ų | 122 | 102.2 Ų | 102.2 | 60% | 0.601 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.3 | -41.2 | 174.4 | -72.1 | -179.3 | 71.7 | 0 | 0 | 111.6 | I159 S160 D166 M167 | I159-M163 HydrophobicContact CG2-CG 4.36Å; I159-M163 HydrophobicContact CG2-SD 3.97Å; I159-M163 VanDerWaalsContact O-CG 3.31Å; I159-M163 WeakPolarHBondContact O-CG 3.49Å; I159-M163 PolarHBondContact O-N 3.01Å; S160-M163 PolarHBondContact O-N 3.3Å; M163-D166 PolarHBondContact O-N 3.49Å; M163-M167 WeakPolarHBondContact O-CG 3.39Å; M163-M167 PolarHBondContact O-N 3.26Å |
| 164 | K | 98.4 | Very high | 98.2 | Very high | 131 Ų | 131 | 101.9 Ų | 101.9 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.8 | -46.1 | 175.3 | -173.2 | -175.6 | 174.5 | -166.5 | 0 | 111.9 | S160 T161 F162 D166 M167 D168 | S160-K164 WeakPolarHBondContact O-CB 3.31Å; S160-K164 PolarHBondContact O-N 2.9Å; T161-K164 PolarHBondContact O-N 3.28Å; F162-K164 PolarHBondContact O-N 3.41Å; K164-D166 VanDerWaalsContact C-N 3.3Å; K164-D166 PolarHBondContact O-N 2.85Å; K164-M167 PolarHBondContact O-N 2.97Å; K164-D168 PolarHBondContact O-N 3.41Å |
| 165 | S | 98.5 | Very high | 98.2 | Very high | 58 Ų | 58 | 102.2 Ų | 102.2 | 41% | 0.406 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.8 | -42.9 | 176.1 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | T161 F162 D168 V169 | T161-S165 PolarHBondContact O-N 2.94Å; F162-S165 WeakPolarHBondContact O-CB 3.42Å; F162-S165 PolarHBondContact O-N 3.49Å; F162-S165 VanDerWaalsContact O-N 3.11Å; S165-D168 PolarHBondContact O-N 3.41Å; S165-V169 WeakPolarHBondContact O-CG2 3.35Å; S165-V169 PolarHBondContact O-N 2.93Å |
| 166 | D | 98.4 | Very high | 98.3 | Very high | 95 Ų | 95 | 104.8 Ų | 104.8 | 51% | 0.508 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 178 | -73 | -20.9 | 0 | 0 | 0 | 111.8 | F162 M163 K164 D168 V169 Q170 | F162-D166 PolarHBondContact O-N 3.34Å; M163-D166 PolarHBondContact O-N 3.49Å; K164-D166 VanDerWaalsContact C-N 3.3Å; K164-D166 PolarHBondContact O-N 2.85Å; D166-D168 VanDerWaalsContact C-N 3.34Å; D166-D168 PolarHBondContact O-N 2.92Å; D166-V169 PolarHBondContact O-N 2.95Å; D166-Q170 WeakPolarHBondContact O-CG 3.49Å; D166-Q170 PolarHBondContact O-N 3.24Å |
| 167 | M | 98.5 | Very high | 98.3 | Very high | 98 Ų | 98 | 104.4 Ų | 104.4 | 48% | 0.483 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 173.5 | -68.8 | -169.8 | -35.3 | 0 | 0 | 112.1 | M163 K164 V169 Q170 K171 | M163-M167 WeakPolarHBondContact O-CG 3.39Å; M163-M167 PolarHBondContact O-N 3.26Å; K164-M167 PolarHBondContact O-N 2.97Å; M167-V169 VanDerWaalsContact C-N 3.33Å; M167-Q170 WeakPolarHBondContact O-CB 3.43Å; M167-Q170 PolarHBondContact O-N 3.23Å; M167-K171 WeakPolarHBondContact O-CG 3.35Å; M167-K171 PolarHBondContact O-N 3.05Å |
| 168 | D | 98.4 | Very high | 98.3 | Very high | 74 Ų | 74 | 105.3 Ų | 105.3 | 40% | 0.396 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.2 | -37.8 | 178.5 | -69.7 | -22.1 | 0 | 0 | 0 | 110.9 | K164 S165 D166 K171 F172 | K164-D168 PolarHBondContact O-N 3.41Å; S165-D168 PolarHBondContact O-N 3.41Å; D166-D168 VanDerWaalsContact C-N 3.34Å; D166-D168 PolarHBondContact O-N 2.92Å; D168-K171 PolarHBondContact O-N 3.42Å; D168-F172 WeakPolarHBondContact O-CB 3.26Å; D168-F172 PolarHBondContact O-N 3.33Å |
| 169 | V | 98.6 | Very high | 98.3 | Very high | 76 Ų | 76 | 102.8 Ų | 102.8 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 171.8 | 169.3 | 0 | 0 | 0 | 0 | 111.8 | S165 D166 M167 F172 N173 | S165-V169 WeakPolarHBondContact O-CG2 3.35Å; S165-V169 PolarHBondContact O-N 2.93Å; D166-V169 PolarHBondContact O-N 2.95Å; M167-V169 VanDerWaalsContact C-N 3.33Å; V169-F172 PolarHBondContact O-N 2.89Å; V169-N173 PolarHBondContact O-N 3.04Å; V169-N173 PolarHBondContact O-ND2 3.42Å |
| 170 | Q | 98.6 | Very high | 98.4 | Very high | 124 Ų | 124 | 102.1 Ų | 102.1 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.6 | -49.1 | 175.4 | -73.9 | 176.4 | -0.4 | 0 | 0 | 111.3 | D166 M167 F172 N173 E174 | D166-Q170 WeakPolarHBondContact O-CG 3.49Å; D166-Q170 PolarHBondContact O-N 3.24Å; M167-Q170 WeakPolarHBondContact O-CB 3.43Å; M167-Q170 PolarHBondContact O-N 3.23Å; Q170-F172 VanDerWaalsContact C-N 3.34Å; Q170-F172 PolarHBondContact O-N 3.42Å; Q170-N173 WeakPolarHBondContact O-CB 3.38Å; Q170-N173 PolarHBondContact O-N 3.22Å; Q170-N173 VanDerWaalsContact O-N 3.08Å; Q170-E174 PolarHBondContact O-N 3.08Å |
| 171 | K | 98.5 | Very high | 98.4 | Very high | 122 Ų | 122 | 101.8 Ų | 101.8 | 53% | 0.53 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.6 | -44.4 | 176.4 | -72.4 | 175.4 | -177.5 | 173.9 | 0 | 112.4 | M167 D168 N173 E174 E175 | M167-K171 WeakPolarHBondContact O-CG 3.35Å; M167-K171 PolarHBondContact O-N 3.05Å; D168-K171 PolarHBondContact O-N 3.42Å; K171-N173 VanDerWaalsContact C-N 3.27Å; K171-N173 PolarHBondContact O-N 3.05Å; K171-E174 PolarHBondContact O-N 3.01Å; K171-E175 PolarHBondContact O-N 3.45Å |
| 172 | F | 98.4 | Very high | 98.4 | Very high | 129 Ų | 129 | 101 Ų | 101 | 57% | 0.566 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59 | -40.3 | 175.8 | 175.6 | -98.8 | 0 | 0 | 0 | 111.7 | D168 V169 Q170 E175 K176 | D168-F172 WeakPolarHBondContact O-CB 3.26Å; D168-F172 PolarHBondContact O-N 3.33Å; V169-F172 PolarHBondContact O-N 2.89Å; Q170-F172 VanDerWaalsContact C-N 3.34Å; Q170-F172 PolarHBondContact O-N 3.42Å; F172-E175 PolarHBondContact O-N 3.21Å; F172-K176 VanDerWaalsContact O-CB 3.26Å; F172-K176 WeakPolarHBondContact O-CB 3.45Å; F172-K176 PolarHBondContact O-N 3.4Å |
| 173 | N | 98.6 | Very high | 98.4 | Very high | 67 Ų | 67 | 100.1 Ų | 100.1 | 36% | 0.358 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.5 | -38.6 | 177.2 | -80.8 | -42.3 | 0 | 0 | 0 | 112.9 | V169 Q170 K171 K176 E177 | V169-N173 PolarHBondContact O-N 3.04Å; V169-N173 PolarHBondContact O-ND2 3.42Å; Q170-N173 WeakPolarHBondContact O-CB 3.38Å; Q170-N173 PolarHBondContact O-N 3.22Å; Q170-N173 VanDerWaalsContact O-N 3.08Å; K171-N173 VanDerWaalsContact C-N 3.27Å; K171-N173 PolarHBondContact O-N 3.05Å; N173-K176 PolarHBondContact O-N 3.24Å; N173-K176 WeakPolarHBondContact OD1-CE 3.48Å; N173-K176 PolarHBondContact OD1-NZ 2.97Å; N173-K176 VanDerWaalsContact OD1-NZ 3.09Å; N173-E177 PolarHBondContact O-N 3.37Å |
| 174 | E | 98.4 | Very high | 98.4 | Very high | 109 Ų | 109 | 99.1 Ų | 99.1 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 174.3 | -67.8 | 175.1 | -168.2 | 0 | 0 | 111.9 | Q170 K171 E177 K178 | Q170-E174 PolarHBondContact O-N 3.08Å; K171-E174 PolarHBondContact O-N 3.01Å; E174-E177 PolarHBondContact O-N 3.4Å; E174-K178 WeakPolarHBondContact O-CG 3.46Å; E174-K178 PolarHBondContact O-N 3.37Å; E174-K178 VanDerWaalsContact O-N 3.08Å |
| 175 | E | 98.4 | Very high | 98.4 | Very high | 136 Ų | 136 | 100 Ų | 100 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65 | -43.4 | 176.7 | -173.8 | 174.7 | -169.7 | 0 | 0 | 111.5 | K171 F172 E177 K178 S179 | K171-E175 PolarHBondContact O-N 3.45Å; F172-E175 PolarHBondContact O-N 3.21Å; E175-E177 VanDerWaalsContact C-N 3.31Å; E175-E177 PolarHBondContact O-N 3.09Å; E175-K178 WeakPolarHBondContact O-CB 3.47Å; E175-K178 PolarHBondContact O-N 3.23Å; E175-S179 PolarHBondContact O-N 3.35Å |
| 176 | K | 98.3 | Very high | 98.3 | Very high | 107 Ų | 107 | 103.9 Ų | 103.9 | 47% | 0.465 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.7 | -45.1 | 173.5 | -177.7 | -168 | 67.7 | 174 | 0 | 111.3 | F172 N173 S179 V180 | F172-K176 VanDerWaalsContact O-CB 3.26Å; F172-K176 WeakPolarHBondContact O-CB 3.45Å; F172-K176 PolarHBondContact O-N 3.4Å; N173-K176 PolarHBondContact O-N 3.24Å; N173-K176 WeakPolarHBondContact OD1-CE 3.48Å; N173-K176 PolarHBondContact OD1-NZ 2.97Å; N173-K176 VanDerWaalsContact OD1-NZ 3.09Å; K176-S179 WeakPolarHBondContact O-CB 3.47Å; K176-S179 PolarHBondContact O-N 2.92Å; K176-V180 WeakPolarHBondContact O-CG2 3.47Å; K176-V180 PolarHBondContact O-N 3.31Å |
| 177 | E | 98.5 | Very high | 98.3 | Very high | 123 Ų | 123 | 104.5 Ų | 104.5 | 58% | 0.575 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62 | -43.7 | 178 | -173.9 | -179.8 | 177.2 | 0 | 0 | 111.9 | N173 E174 E175 S179 V180 N181 | N173-E177 PolarHBondContact O-N 3.37Å; E174-E177 PolarHBondContact O-N 3.4Å; E175-E177 VanDerWaalsContact C-N 3.31Å; E175-E177 PolarHBondContact O-N 3.09Å; E177-S179 VanDerWaalsContact C-N 3.31Å; E177-S179 PolarHBondContact O-N 3.23Å; E177-V180 PolarHBondContact O-N 2.92Å; E177-N181 WeakPolarHBondContact O-CB 3.41Å; E177-N181 PolarHBondContact O-N 2.98Å; E177-N181 PolarHBondContact O-ND2 3.29Å |
| 178 | K | 98.2 | Very high | 98.3 | Very high | 146 Ų | 146 | 104.9 Ų | 104.9 | 64% | 0.635 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.6 | -44.9 | 173.9 | -69.9 | 170.8 | -173.1 | 169.2 | 0 | 111.6 | E174 E175 N181 S182 | E174-K178 WeakPolarHBondContact O-CG 3.46Å; E174-K178 PolarHBondContact O-N 3.37Å; E174-K178 VanDerWaalsContact O-N 3.08Å; E175-K178 WeakPolarHBondContact O-CB 3.47Å; E175-K178 PolarHBondContact O-N 3.23Å; K178-N181 PolarHBondContact O-N 3.08Å; K178-S182 PolarHBondContact O-N 3.4Å |
| 179 | S | 97.9 | Very high | 98.3 | Very high | 80 Ų | 80 | 104.2 Ų | 104.2 | 56% | 0.559 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.5 | -43.2 | 177.1 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | E175 K176 E177 S182 C183 | E175-S179 PolarHBondContact O-N 3.35Å; K176-S179 WeakPolarHBondContact O-CB 3.47Å; K176-S179 PolarHBondContact O-N 2.92Å; E177-S179 VanDerWaalsContact C-N 3.31Å; E177-S179 PolarHBondContact O-N 3.23Å; S179-S182 PolarHBondContact O-N 2.91Å; S179-C183 WeakPolarHBondContact O-CB 3.48Å; S179-C183 PolarHBondContact O-N 2.94Å |
| 180 | V | 98.5 | Very high | 98.3 | Very high | 84 Ų | 84 | 106.3 Ų | 106.3 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 176.9 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | K176 E177 S182 C183 Q184 | K176-V180 WeakPolarHBondContact O-CG2 3.47Å; K176-V180 PolarHBondContact O-N 3.31Å; E177-V180 PolarHBondContact O-N 2.92Å; V180-S182 VanDerWaalsContact C-N 3.33Å; V180-S182 PolarHBondContact O-N 2.95Å; V180-C183 WeakPolarHBondContact O-CB 3.44Å; V180-C183 PolarHBondContact O-N 3.16Å; V180-Q184 PolarHBondContact O-N 3.1Å |
| 181 | N | 98.3 | Very high | 98.2 | Very high | 71 Ų | 71 | 106.9 Ų | 106.9 | 38% | 0.38 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 177.3 | -73.3 | -30.3 | 0 | 0 | 0 | 112.2 | E177 K178 Q184 K185 | E177-N181 WeakPolarHBondContact O-CB 3.41Å; E177-N181 PolarHBondContact O-N 2.98Å; E177-N181 PolarHBondContact O-ND2 3.29Å; K178-N181 PolarHBondContact O-N 3.08Å; N181-Q184 PolarHBondContact O-N 3.32Å; N181-K185 WeakPolarHBondContact O-CG 3.33Å; N181-K185 PolarHBondContact O-N 3.39Å; N181-K185 VanDerWaalsContact O-N 3.1Å |
| 182 | S | 98.2 | Very high | 98.2 | Very high | 73 Ų | 73 | 107.1 Ų | 107.1 | 51% | 0.51 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 174.4 | -167.9 | 0 | 0 | 0 | 0 | 111.5 | K178 S179 V180 Q184 K185 E186 | K178-S182 PolarHBondContact O-N 3.4Å; S179-S182 PolarHBondContact O-N 2.91Å; V180-S182 VanDerWaalsContact C-N 3.33Å; V180-S182 PolarHBondContact O-N 2.95Å; S182-Q184 VanDerWaalsContact C-N 3.27Å; S182-Q184 PolarHBondContact O-N 3.42Å; S182-K185 WeakPolarHBondContact O-CB 3.5Å; S182-K185 PolarHBondContact O-N 2.93Å; S182-K185 VanDerWaalsContact O-N 3.16Å; S182-E186 PolarHBondContact O-N 2.87Å |
| 183 | C | 98.1 | Very high | 98.2 | Very high | 78 Ų | 78 | 104.6 Ų | 104.6 | 53% | 0.527 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.7 | -38.6 | 176.8 | -178.2 | 0 | 0 | 0 | 0 | 112.1 | S179 V180 E186 Q187 | S179-C183 WeakPolarHBondContact O-CB 3.48Å; S179-C183 PolarHBondContact O-N 2.94Å; V180-C183 WeakPolarHBondContact O-CB 3.44Å; V180-C183 PolarHBondContact O-N 3.16Å; C183-E186 PolarHBondContact O-N 3.37Å; C183-Q187 WeakPolarHBondContact O-CB 3.42Å; C183-Q187 PolarHBondContact O-N 3.26Å |
| 184 | Q | 98.4 | Very high | 98.1 | Very high | 101 Ų | 101 | 107.8 Ų | 107.8 | 47% | 0.472 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.9 | -42.4 | 176.9 | -176.5 | 178.3 | -13.2 | 0 | 0 | 111.9 | V180 N181 S182 E186 Q187 Q188 | V180-Q184 PolarHBondContact O-N 3.1Å; N181-Q184 PolarHBondContact O-N 3.32Å; S182-Q184 VanDerWaalsContact C-N 3.27Å; S182-Q184 PolarHBondContact O-N 3.42Å; Q184-E186 VanDerWaalsContact C-N 3.35Å; Q184-Q187 PolarHBondContact O-N 2.94Å; Q184-Q188 WeakPolarHBondContact O-CG 3.42Å; Q184-Q188 PolarHBondContact O-N 3.18Å |
| 185 | K | 98.2 | Very high | 98.1 | Very high | 149 Ų | 149 | 105.7 Ų | 105.7 | 65% | 0.648 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.2 | -45 | 174.6 | -71.6 | 176.5 | -178.9 | 179.7 | 0 | 111.3 | N181 S182 Q187 Q188 A189 | N181-K185 WeakPolarHBondContact O-CG 3.33Å; N181-K185 PolarHBondContact O-N 3.39Å; N181-K185 VanDerWaalsContact O-N 3.1Å; S182-K185 WeakPolarHBondContact O-CB 3.5Å; S182-K185 PolarHBondContact O-N 2.93Å; S182-K185 VanDerWaalsContact O-N 3.16Å; K185-Q187 VanDerWaalsContact C-N 3.32Å; K185-Q187 PolarHBondContact O-N 3.25Å; K185-Q188 WeakPolarHBondContact O-CB 3.39Å; K185-Q188 PolarHBondContact O-N 3.43Å; K185-A189 PolarHBondContact O-N 3.46Å |
| 186 | E | 97.6 | Very high | 98 | Very high | 140 Ų | 140 | 102.3 Ų | 102.3 | 65% | 0.654 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.2 | -42 | 176.3 | -171.6 | 176.3 | 178.9 | 0 | 0 | 111.6 | S182 C183 Q184 Q188 A189 L190 | S182-E186 PolarHBondContact O-N 2.87Å; C183-E186 PolarHBondContact O-N 3.37Å; Q184-E186 VanDerWaalsContact C-N 3.35Å; E186-Q188 VanDerWaalsContact C-N 3.31Å; E186-Q188 PolarHBondContact O-N 2.89Å; E186-A189 PolarHBondContact O-N 2.97Å; E186-L190 WeakPolarHBondContact O-CB 3.5Å; E186-L190 PolarHBondContact O-N 3.31Å |
| 187 | Q | 98.3 | Very high | 98 | Very high | 108 Ų | 108 | 103.4 Ų | 103.4 | 51% | 0.505 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61 | -39 | 175.1 | -170.2 | -173.6 | 61.5 | 0 | 0 | 112.2 | C183 Q184 K185 K191 | C183-Q187 WeakPolarHBondContact O-CB 3.42Å; C183-Q187 PolarHBondContact O-N 3.26Å; Q184-Q187 PolarHBondContact O-N 2.94Å; K185-Q187 VanDerWaalsContact C-N 3.32Å; K185-Q187 PolarHBondContact O-N 3.25Å; Q187-K191 WeakPolarHBondContact O-CG 3.49Å; Q187-K191 PolarHBondContact O-N 3.34Å; Q187-K191 VanDerWaalsContact O-N 3.11Å |
| 188 | Q | 98.3 | Very high | 98 | Very high | 106 Ų | 106 | 101.1 Ų | 101.1 | 50% | 0.495 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67 | -45.6 | 175.4 | -71.8 | 178.5 | -6.9 | 0 | 0 | 111.8 | Q184 K185 E186 L190 K191 L192 | Q184-Q188 WeakPolarHBondContact O-CG 3.42Å; Q184-Q188 PolarHBondContact O-N 3.18Å; K185-Q188 WeakPolarHBondContact O-CB 3.39Å; K185-Q188 PolarHBondContact O-N 3.43Å; E186-Q188 VanDerWaalsContact C-N 3.31Å; E186-Q188 PolarHBondContact O-N 2.89Å; Q188-L190 VanDerWaalsContact C-N 3.29Å; Q188-L190 PolarHBondContact O-N 3.34Å; Q188-K191 PolarHBondContact O-N 3.43Å; Q188-L192 PolarHBondContact O-N 2.92Å |
| 189 | A | 98 | Very high | 97.9 | Very high | 59 Ų | 59 | 99.8 Ų | 99.8 | 49% | 0.488 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | K185 E186 K191 L192 S193 | K185-A189 PolarHBondContact O-N 3.46Å; E186-A189 PolarHBondContact O-N 2.97Å; A189-K191 PolarHBondContact O-N 2.94Å; A189-L192 PolarHBondContact O-N 3.28Å; A189-S193 WeakPolarHBondContact O-CB 3.46Å; A189-S193 PolarHBondContact O-N 3Å |
| 190 | L | 98.1 | Very high | 97.9 | Very high | 121 Ų | 121 | 99.9 Ų | 99.9 | 63% | 0.634 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.2 | -42.8 | 176.3 | -177.9 | 63.3 | 0 | 0 | 0 | 112.3 | E186 Q188 S193 K194 | E186-L190 WeakPolarHBondContact O-CB 3.5Å; E186-L190 PolarHBondContact O-N 3.31Å; Q188-L190 VanDerWaalsContact C-N 3.29Å; Q188-L190 PolarHBondContact O-N 3.34Å; L190-S193 PolarHBondContact O-N 3.46Å; L190-K194 WeakPolarHBondContact O-CB 3.44Å; L190-K194 PolarHBondContact O-N 3.39Å |
| 191 | K | 97.8 | Very high | 97.8 | Very high | 135 Ų | 135 | 100.1 Ų | 100.1 | 59% | 0.587 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.4 | -44.1 | 176.1 | -74.6 | 175 | -177.5 | 176.4 | 0 | 111.8 | Q187 Q188 A189 K194 C195 | Q187-K191 WeakPolarHBondContact O-CG 3.49Å; Q187-K191 PolarHBondContact O-N 3.34Å; Q187-K191 VanDerWaalsContact O-N 3.11Å; Q188-K191 PolarHBondContact O-N 3.43Å; A189-K191 PolarHBondContact O-N 2.94Å; K191-K194 PolarHBondContact O-N 3.02Å; K191-C195 PolarHBondContact O-N 3.42Å |
| 192 | L | 97.7 | Very high | 97.8 | Very high | 127 Ų | 127 | 102.8 Ų | 102.8 | 67% | 0.665 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.6 | -46.3 | 177.4 | -70.8 | 174.6 | 0 | 0 | 0 | 111.5 | Q188 A189 K194 C195 S196 | Q188-L192 PolarHBondContact O-N 2.92Å; A189-L192 PolarHBondContact O-N 3.28Å; L192-K194 VanDerWaalsContact C-N 3.27Å; L192-K194 PolarHBondContact O-N 3Å; L192-C195 WeakPolarHBondContact O-CB 3.39Å; L192-C195 PolarHBondContact O-N 3.06Å; L192-C195 VanDerWaalsContact O-N 3.15Å; L192-S196 PolarHBondContact O-N 3.4Å |
| 193 | S | 97.9 | Very high | 97.7 | Very high | 77 Ų | 77 | 101.7 Ų | 101.7 | 54% | 0.538 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -56.4 | -43.4 | 175.5 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | A189 L190 S196 Q197 | A189-S193 WeakPolarHBondContact O-CB 3.46Å; A189-S193 PolarHBondContact O-N 3Å; L190-S193 PolarHBondContact O-N 3.46Å; S193-S196 PolarHBondContact O-N 3.18Å; S193-Q197 WeakPolarHBondContact O-CB 3.48Å; S193-Q197 PolarHBondContact O-N 3.11Å |
| 194 | K | 98 | Very high | 97.6 | Very high | 133 Ų | 133 | 102.2 Ų | 102.2 | 58% | 0.578 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.1 | -40.3 | 177.6 | -173.5 | 173 | -178 | 175.9 | 0 | 112.5 | L190 K191 L192 Q197 N198 | L190-K194 WeakPolarHBondContact O-CB 3.44Å; L190-K194 PolarHBondContact O-N 3.39Å; K191-K194 PolarHBondContact O-N 3.02Å; L192-K194 VanDerWaalsContact C-N 3.27Å; L192-K194 PolarHBondContact O-N 3Å; K194-Q197 PolarHBondContact O-N 3.49Å; K194-N198 VanDerWaalsContact O-CG 3.28Å; K194-N198 PolarHBondContact O-N 2.88Å |
| 195 | C | 97.7 | Very high | 97.5 | Very high | 65 Ų | 65 | 103.4 Ų | 103.4 | 44% | 0.439 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 175.4 | -173.1 | 0 | 0 | 0 | 0 | 111.4 | K191 L192 Q197 N198 Q199 | K191-C195 PolarHBondContact O-N 3.42Å; L192-C195 WeakPolarHBondContact O-CB 3.39Å; L192-C195 PolarHBondContact O-N 3.06Å; L192-C195 VanDerWaalsContact O-N 3.15Å; C195-Q197 VanDerWaalsContact C-N 3.33Å; C195-Q197 PolarHBondContact O-N 2.96Å; C195-N198 WeakPolarHBondContact O-CB 3.39Å; C195-N198 PolarHBondContact O-N 3.15Å; C195-N198 VanDerWaalsContact O-N 3.15Å; C195-Q199 WeakPolarHBondContact O-CG 3.45Å; C195-Q199 PolarHBondContact O-N 3.5Å |
| 196 | S | 97.1 | Very high | 97.4 | Very high | 65 Ų | 65 | 101.1 Ų | 101.1 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 177.3 | 177 | 0 | 0 | 0 | 0 | 112.4 | L192 S193 N198 Q199 T200 | L192-S196 PolarHBondContact O-N 3.4Å; S193-S196 PolarHBondContact O-N 3.18Å; S196-N198 PolarHBondContact O-N 3.43Å; S196-Q199 PolarHBondContact O-N 2.95Å; S196-T200 PolarHBondContact O-N 3.37Å; S196-T200 PolarHBondContact O-OG1 2.9Å |
| 197 | Q | 97.5 | Very high | 97.4 | Very high | 130 Ų | 130 | 99.1 Ų | 99.1 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.7 | -43 | 174.7 | -173.7 | -179.2 | 23.8 | 0 | 0 | 111.9 | S193 K194 C195 T200 L201 | S193-Q197 WeakPolarHBondContact O-CB 3.48Å; S193-Q197 PolarHBondContact O-N 3.11Å; K194-Q197 PolarHBondContact O-N 3.49Å; C195-Q197 VanDerWaalsContact C-N 3.33Å; C195-Q197 PolarHBondContact O-N 2.96Å; Q197-T200 WeakPolarHBondContact O-CB 3.48Å; Q197-T200 PolarHBondContact O-N 3.21Å; Q197-L201 WeakPolarHBondContact O-CB 3.46Å; Q197-L201 PolarHBondContact O-N 3.33Å |
| 198 | N | 97.8 | Very high | 97.3 | Very high | 76 Ų | 76 | 99.6 Ų | 99.6 | 41% | 0.406 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 177.8 | -73.2 | -15.4 | 0 | 0 | 0 | 112 | K194 C195 S196 T200 L201 E202 | K194-N198 VanDerWaalsContact O-CG 3.28Å; K194-N198 PolarHBondContact O-N 2.88Å; C195-N198 WeakPolarHBondContact O-CB 3.39Å; C195-N198 PolarHBondContact O-N 3.15Å; C195-N198 VanDerWaalsContact O-N 3.15Å; S196-N198 PolarHBondContact O-N 3.43Å; N198-T200 VanDerWaalsContact C-N 3.33Å; N198-T200 PolarHBondContact O-N 2.9Å; N198-L201 WeakPolarHBondContact O-CB 3.49Å; N198-L201 PolarHBondContact O-N 3Å; N198-E202 WeakPolarHBondContact O-CG 3.39Å; N198-E202 PolarHBondContact O-N 3.29Å |
| 199 | Q | 97 | Very high | 97.1 | Very high | 118 Ų | 118 | 101.1 Ų | 101.1 | 55% | 0.551 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.3 | -42.9 | 174.5 | -70.5 | 174.6 | -25.5 | 0 | 0 | 111.6 | C195 S196 L201 E202 A203 | C195-Q199 WeakPolarHBondContact O-CG 3.45Å; C195-Q199 PolarHBondContact O-N 3.5Å; S196-Q199 PolarHBondContact O-N 2.95Å; Q199-L201 VanDerWaalsContact C-N 3.29Å; Q199-L201 PolarHBondContact O-N 3.47Å; Q199-E202 PolarHBondContact O-N 2.99Å; Q199-A203 PolarHBondContact O-N 3.12Å |
| 200 | T | 97.3 | Very high | 97 | Very high | 82 Ų | 82 | 103.3 Ų | 103.3 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 175.5 | -55.3 | 0 | 0 | 0 | 0 | 110.8 | S196 Q197 N198 E202 A203 V204 | S196-T200 PolarHBondContact O-N 3.37Å; S196-T200 PolarHBondContact O-OG1 2.9Å; Q197-T200 WeakPolarHBondContact O-CB 3.48Å; Q197-T200 PolarHBondContact O-N 3.21Å; N198-T200 VanDerWaalsContact C-N 3.33Å; N198-T200 PolarHBondContact O-N 2.9Å; T200-E202 PolarHBondContact O-N 3.15Å; T200-A203 PolarHBondContact O-N 3.43Å; T200-V204 WeakPolarHBondContact O-CG2 3.45Å; T200-V204 PolarHBondContact O-N 3.2Å |
| 201 | L | 97.1 | Very high | 96.8 | Very high | 89 Ų | 89 | 100.6 Ų | 100.6 | 47% | 0.466 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 175.8 | 178.3 | 64.4 | 0 | 0 | 0 | 112.1 | Q197 N198 Q199 V204 K205 | Q197-L201 WeakPolarHBondContact O-CB 3.46Å; Q197-L201 PolarHBondContact O-N 3.33Å; N198-L201 WeakPolarHBondContact O-CB 3.49Å; N198-L201 PolarHBondContact O-N 3Å; Q199-L201 VanDerWaalsContact C-N 3.29Å; Q199-L201 PolarHBondContact O-N 3.47Å; L201-V204 PolarHBondContact O-N 3.4Å; L201-K205 WeakPolarHBondContact O-CG 3.37Å; L201-K205 PolarHBondContact O-N 3.48Å |
| 202 | E | 97 | Very high | 96.5 | Very high | 126 Ų | 126 | 97.8 Ų | 97.8 | 59% | 0.589 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.9 | -44.7 | 174.9 | -74.7 | 173.9 | -178.6 | 0 | 0 | 111.6 | N198 Q199 T200 V204 K205 E206 | N198-E202 WeakPolarHBondContact O-CG 3.39Å; N198-E202 PolarHBondContact O-N 3.29Å; Q199-E202 PolarHBondContact O-N 2.99Å; T200-E202 PolarHBondContact O-N 3.15Å; E202-V204 VanDerWaalsContact C-N 3.33Å; E202-V204 PolarHBondContact O-N 3.35Å; E202-K205 WeakPolarHBondContact O-CB 3.44Å; E202-K205 PolarHBondContact O-N 2.96Å; E202-K205 VanDerWaalsContact O-N 3.12Å; E202-E206 PolarHBondContact O-N 2.96Å |
| 203 | A | 96.8 | Very high | 96.3 | Very high | 50 Ų | 50 | 97.2 Ų | 97.2 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q199 T200 K205 E206 V207 | Q199-A203 PolarHBondContact O-N 3.12Å; T200-A203 PolarHBondContact O-N 3.43Å; A203-K205 VanDerWaalsContact C-N 3.34Å; A203-K205 PolarHBondContact O-N 2.96Å; A203-E206 PolarHBondContact O-N 3.36Å; A203-V207 WeakPolarHBondContact O-CG2 3.38Å; A203-V207 PolarHBondContact O-N 2.92Å |
| 204 | V | 97 | Very high | 96 | Very high | 90 Ų | 90 | 97.6 Ų | 97.6 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 174.6 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | T200 L201 E202 V207 H208 | T200-V204 WeakPolarHBondContact O-CG2 3.45Å; T200-V204 PolarHBondContact O-N 3.2Å; L201-V204 PolarHBondContact O-N 3.4Å; E202-V204 VanDerWaalsContact C-N 3.33Å; E202-V204 PolarHBondContact O-N 3.35Å; V204-V207 PolarHBondContact O-N 3.01Å; V204-H208 WeakPolarHBondContact O-CB 3.39Å; V204-H208 PolarHBondContact O-N 3.33Å |
| 205 | K | 96.3 | Very high | 95.6 | Very high | 125 Ų | 125 | 96 Ų | 96 | 54% | 0.543 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 176.4 | -74.6 | 174.8 | 179.1 | 180 | 0 | 111.7 | L201 E202 A203 V207 H208 E209 | L201-K205 WeakPolarHBondContact O-CG 3.37Å; L201-K205 PolarHBondContact O-N 3.48Å; E202-K205 WeakPolarHBondContact O-CB 3.44Å; E202-K205 PolarHBondContact O-N 2.96Å; E202-K205 VanDerWaalsContact O-N 3.12Å; A203-K205 VanDerWaalsContact C-N 3.34Å; A203-K205 PolarHBondContact O-N 2.96Å; K205-V207 VanDerWaalsContact C-N 3.35Å; K205-V207 PolarHBondContact O-N 3.11Å; K205-H208 WeakPolarHBondContact O-CB 3.3Å; K205-H208 PolarHBondContact O-N 3.37Å; K205-E209 WeakPolarHBondContact O-CB 3.49Å; K205-E209 PolarHBondContact O-N 2.87Å |
| 206 | E | 96.3 | Very high | 95.2 | Very high | 101 Ų | 101 | 99 Ų | 99 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 177.6 | -170.6 | -167.9 | 158.5 | 0 | 0 | 111.2 | E202 A203 H208 E209 K210 | E202-E206 PolarHBondContact O-N 2.96Å; A203-E206 PolarHBondContact O-N 3.36Å; E206-H208 VanDerWaalsContact C-N 3.32Å; E206-H208 PolarHBondContact O-N 3.31Å; E206-E209 PolarHBondContact O-N 3.46Å; E206-K210 WeakPolarHBondContact O-CG 3.4Å; E206-K210 PolarHBondContact O-N 3.39Å; E206-K210 VanDerWaalsContact OE1-CE 3.25Å; E206-K210 WeakPolarHBondContact OE1-CE 3.42Å; E206-K210 IonicContact OE1-NZ 3.28Å; E206-K210 PolarHBondContact OE1-NZ 2.92Å |
| 207 | V | 96.4 | Very high | 94.7 | Very high | 99 Ų | 99 | 99.8 Ų | 99.8 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.6 | -43 | 174.4 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | A203 V204 K205 K210 S211 | A203-V207 WeakPolarHBondContact O-CG2 3.38Å; A203-V207 PolarHBondContact O-N 2.92Å; V204-V207 PolarHBondContact O-N 3.01Å; K205-V207 VanDerWaalsContact C-N 3.35Å; K205-V207 PolarHBondContact O-N 3.11Å; V207-K210 PolarHBondContact O-N 2.94Å; V207-S211 PolarHBondContact O-N 2.97Å |
| 208 | H | 95.8 | Very high | 94.1 | Very high | 118 Ų | 118 | 98.5 Ų | 98.5 | 55% | 0.546 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 176.1 | 172.2 | -91.9 | 0 | 0 | 0 | 112.1 | V204 K205 E206 K210 S211 M212 | V204-H208 WeakPolarHBondContact O-CB 3.39Å; V204-H208 PolarHBondContact O-N 3.33Å; K205-H208 WeakPolarHBondContact O-CB 3.3Å; K205-H208 PolarHBondContact O-N 3.37Å; E206-H208 VanDerWaalsContact C-N 3.32Å; E206-H208 PolarHBondContact O-N 3.31Å; H208-K210 PolarHBondContact O-N 2.83Å; H208-S211 CarbonylContact O-C 3.6Å; H208-S211 WeakPolarHBondContact O-CA 3.41Å; H208-S211 VanDerWaalsContact O-CB 3.3Å; H208-S211 WeakPolarHBondContact O-CB 3.48Å; H208-S211 PolarHBondContact O-N 3.17Å; H208-S211 VanDerWaalsContact O-N 3.11Å; H208-M212 WeakPolarHBondContact O-CG 3.48Å; H208-M212 PolarHBondContact O-N 3.49Å |
| 209 | E | 94.9 | Very high | 93.2 | Very high | 137 Ų | 137 | 97.1 Ų | 97.1 | 64% | 0.64 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61 | -45.3 | 177.7 | -174.3 | 169.1 | -162.5 | 0 | 0 | 111.4 | K205 E206 S211 M212 E213 | K205-E209 WeakPolarHBondContact O-CB 3.49Å; K205-E209 PolarHBondContact O-N 2.87Å; E206-E209 PolarHBondContact O-N 3.46Å; E209-S211 VanDerWaalsContact C-N 3.29Å; E209-S211 PolarHBondContact O-N 2.82Å; E209-M212 WeakPolarHBondContact O-CB 3.38Å; E209-M212 PolarHBondContact O-N 2.86Å; E209-M212 VanDerWaalsContact O-N 3.08Å; E209-E213 PolarHBondContact O-N 3.19Å |
| 210 | K | 94.8 | Very high | 92 | Very high | 106 Ų | 106 | 96.6 Ų | 96.6 | 46% | 0.461 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.4 | -40.9 | 171.8 | -72.1 | 174.3 | -174.1 | 167.2 | 0 | 112 | E206 V207 H208 M212 E213 V214 | E206-K210 WeakPolarHBondContact O-CG 3.4Å; E206-K210 PolarHBondContact O-N 3.39Å; E206-K210 VanDerWaalsContact OE1-CE 3.25Å; E206-K210 WeakPolarHBondContact OE1-CE 3.42Å; E206-K210 IonicContact OE1-NZ 3.28Å; E206-K210 PolarHBondContact OE1-NZ 2.92Å; V207-K210 PolarHBondContact O-N 2.94Å; H208-K210 PolarHBondContact O-N 2.83Å; K210-M212 VanDerWaalsContact C-N 3.33Å; K210-M212 PolarHBondContact O-N 3.45Å; K210-E213 PolarHBondContact O-N 3.49Å; K210-V214 WeakPolarHBondContact O-CG2 3.35Å; K210-V214 PolarHBondContact O-N 2.96Å |
| 211 | S | 94.3 | Very high | 90.4 | Very high | 63 Ų | 63 | 101.1 Ų | 101.1 | 44% | 0.441 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 174.7 | -173 | 0 | 0 | 0 | 0 | 111.9 | V207 H208 E209 V214 L215 | V207-S211 PolarHBondContact O-N 2.97Å; H208-S211 CarbonylContact O-C 3.6Å; H208-S211 WeakPolarHBondContact O-CA 3.41Å; H208-S211 VanDerWaalsContact O-CB 3.3Å; H208-S211 WeakPolarHBondContact O-CB 3.48Å; H208-S211 PolarHBondContact O-N 3.17Å; H208-S211 VanDerWaalsContact O-N 3.11Å; E209-S211 VanDerWaalsContact C-N 3.29Å; E209-S211 PolarHBondContact O-N 2.82Å; S211-V214 PolarHBondContact O-N 3.2Å; S211-L215 WeakPolarHBondContact O-CG 3.39Å; S211-L215 PolarHBondContact O-N 3.08Å |
| 212 | M | 92.7 | Very high | 88.1 | Confident | 77 Ų | 77 | 106.6 Ų | 106.6 | 38% | 0.379 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.3 | -40.3 | 177 | -70.9 | -61.7 | -64.9 | 0 | 0 | 111.8 | H208 E209 K210 L215 M216 | H208-M212 WeakPolarHBondContact O-CG 3.48Å; H208-M212 PolarHBondContact O-N 3.49Å; E209-M212 WeakPolarHBondContact O-CB 3.38Å; E209-M212 PolarHBondContact O-N 2.86Å; E209-M212 VanDerWaalsContact O-N 3.08Å; K210-M212 VanDerWaalsContact C-N 3.33Å; K210-M212 PolarHBondContact O-N 3.45Å; M212-L215 PolarHBondContact O-N 2.64Å; M212-L215 HydrophobicContact SD-CD1 4.16Å; M212-M216 WeakPolarHBondContact O-CG 3.43Å; M212-M216 PolarHBondContact O-N 3.36Å |
| 213 | E | 92.6 | Very high | 87.7 | Confident | 115 Ų | 115 | 105.6 Ų | 105.6 | 54% | 0.537 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.7 | -44.8 | 174 | -174.4 | -177.7 | -176.5 | 0 | 0 | 111.1 | E209 K210 L215 M216 N217 | E209-E213 PolarHBondContact O-N 3.19Å; K210-E213 PolarHBondContact O-N 3.49Å; E213-L215 VanDerWaalsContact C-N 3.35Å; E213-L215 PolarHBondContact O-N 2.95Å; E213-M216 PolarHBondContact O-N 3.06Å; E213-N217 WeakPolarHBondContact O-CB 3.39Å; E213-N217 PolarHBondContact O-N 2.94Å; E213-N217 PolarHBondContact O-ND2 3.49Å; E213-N217 VanDerWaalsContact O-ND2 3.11Å |
| 214 | V | 92.2 | Very high | 87.2 | Confident | 84 Ų | 84 | 108.5 Ų | 108.5 | 51% | 0.509 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -58.3 | -46.1 | 172.8 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | K210 S211 N217 L218 | K210-V214 WeakPolarHBondContact O-CG2 3.35Å; K210-V214 PolarHBondContact O-N 2.96Å; S211-V214 PolarHBondContact O-N 3.2Å; V214-N217 CarbonylContact O-C 3.57Å; V214-N217 PolarHBondContact O-N 3.06Å; V214-L218 HydrophobicContact CG1-CD1 3.82Å; V214-L218 WeakPolarHBondContact O-CD1 3.37Å; V214-L218 PolarHBondContact O-N 2.91Å |
| 215 | L | 89.9 | Confident | 86.6 | Confident | 100 Ų | 100 | 109.6 Ų | 109.6 | 52% | 0.524 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.1 | -40.3 | 177 | -72.6 | 173.3 | 0 | 0 | 0 | 113 | S211 M212 E213 N217 L218 G219 | S211-L215 WeakPolarHBondContact O-CG 3.39Å; S211-L215 PolarHBondContact O-N 3.08Å; M212-L215 PolarHBondContact O-N 2.64Å; M212-L215 HydrophobicContact SD-CD1 4.16Å; E213-L215 VanDerWaalsContact C-N 3.35Å; E213-L215 PolarHBondContact O-N 2.95Å; L215-N217 VanDerWaalsContact C-N 3.32Å; L215-L218 WeakPolarHBondContact O-CB 3.34Å; L215-L218 PolarHBondContact O-N 3.14Å; L215-G219 PolarHBondContact O-N 3.42Å |
| 216 | M | 88.1 | Confident | 86.1 | Confident | 128 Ų | 128 | 108.6 Ų | 108.6 | 63% | 0.631 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.8 | -41.8 | 174.2 | -73.3 | -174.2 | -171.4 | 0 | 0 | 111.1 | M212 E213 L218 G219 T220 | M212-M216 WeakPolarHBondContact O-CG 3.43Å; M212-M216 PolarHBondContact O-N 3.36Å; E213-M216 PolarHBondContact O-N 3.06Å; M216-L218 PolarHBondContact O-N 3.29Å; M216-G219 WeakPolarHBondContact O-CA 3.48Å; M216-G219 PolarHBondContact O-N 3.05Å; M216-T220 PolarHBondContact O-N 3.45Å; M216-T220 PolarHBondContact O-OG1 3.37Å |
| 217 | N | 87.5 | Confident | 85.4 | Confident | 82 Ų | 82 | 109.1 Ų | 109.1 | 44% | 0.439 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.9 | -22.1 | 175.4 | -70 | -31.5 | 0 | 0 | 0 | 113.4 | E213 V214 L215 T220 K221 | E213-N217 WeakPolarHBondContact O-CB 3.39Å; E213-N217 PolarHBondContact O-N 2.94Å; E213-N217 PolarHBondContact O-ND2 3.49Å; E213-N217 VanDerWaalsContact O-ND2 3.11Å; V214-N217 CarbonylContact O-C 3.57Å; V214-N217 PolarHBondContact O-N 3.06Å; L215-N217 VanDerWaalsContact C-N 3.32Å; N217-T220 WeakPolarHBondContact CA-OG1 3.25Å; N217-T220 PolarHBondContact O-OG1 3.25Å; N217-T220 VanDerWaalsContact O-OG1 3.06Å; N217-K221 WeakPolarHBondContact O-CG 3.37Å |
| 218 | L | 83.8 | Confident | 84.7 | Confident | 102 Ų | 102 | 109.8 Ų | 109.8 | 53% | 0.534 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -76 | -37.9 | 167.1 | -93.6 | 122.8 | 0 | 0 | 0 | 111.5 | V214 L215 M216 T220 K221 | V214-L218 HydrophobicContact CG1-CD1 3.82Å; V214-L218 WeakPolarHBondContact O-CD1 3.37Å; V214-L218 PolarHBondContact O-N 2.91Å; L215-L218 WeakPolarHBondContact O-CB 3.34Å; L215-L218 PolarHBondContact O-N 3.14Å; M216-L218 PolarHBondContact O-N 3.29Å; L218-T220 VanDerWaalsContact C-N 3.28Å; L218-T220 PolarHBondContact O-N 3.46Å; L218-K221 PolarHBondContact O-N 3.11Å; L218-K221 VanDerWaalsContact O-N 3.14Å |
| 219 | G | 79.4 | Confident | 83.9 | Confident | 48 Ų | 48 | 109.2 Ų | 109.2 | 50% | 0.495 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.2 | -25.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L215 M216 | L215-G219 PolarHBondContact O-N 3.42Å; M216-G219 WeakPolarHBondContact O-CA 3.48Å; M216-G219 PolarHBondContact O-N 3.05Å |
| 220 | T | 72.7 | Confident | 83 | Confident | 107 Ų | 107 | 107.1 Ų | 107.1 | 66% | 0.656 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -8.4 | 172.9 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | M216 N217 L218 | M216-T220 PolarHBondContact O-N 3.45Å; M216-T220 PolarHBondContact O-OG1 3.37Å; N217-T220 WeakPolarHBondContact CA-OG1 3.25Å; N217-T220 PolarHBondContact O-OG1 3.25Å; N217-T220 VanDerWaalsContact O-OG1 3.06Å; L218-T220 VanDerWaalsContact C-N 3.28Å; L218-T220 PolarHBondContact O-N 3.46Å |
| 221 | K | 62.4 | Low | 82.1 | Confident | 177 Ų | 177 | 107.2 Ų | 107.2 | 77% | 0.77 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 0.6 | 173.8 | -78.4 | 178.5 | 177.6 | 177 | 0 | 113.5 | N217 L218 | N217-K221 WeakPolarHBondContact O-CG 3.37Å; L218-K221 PolarHBondContact O-N 3.11Å; L218-K221 VanDerWaalsContact O-N 3.14Å |
| 222 | N | 49.4 | Very low | 81 | Confident | 203 Ų | 203 | 111.2 Ų | 111.2 | 100% | 1.086 | 60% | 0.596 | S | S | * | * | trans | -98.8 | 0 | 164 | -75.7 | -20.5 | 0 | 0 | 0 | 109.9 |
Retrieved 222 of 222 residues in 348.1 ms
(Link to these results)