| 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 | 49.8 | Very low | 51 | Low | 239 Ų | 239 | 127.6 Ų | 127.6 | 100% | 1.177 | 82% | 0.816 | S | S | * | * | 0 | 104.1 | 0 | -78.3 | 163.1 | 118.6 | 0 | 0 | 107.2 | |||||
| 2 | V | 52 | Low | 50.9 | Low | 126 Ų | 126 | 127.3 Ų | 127.3 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | -116.1 | 96.1 | 177.2 | -159.3 | 0 | 0 | 0 | 0 | 105.6 | R4 | V2-R4 HydrophobicContact CG1-CG 4.44Å; V2-R4 PolarHBondContact O-N 3.13Å | ||
| 3 | D | 55.6 | Low | 50.9 | Low | 164 Ų | 164 | 128.9 Ų | 128.9 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -69.4 | 109.8 | 171.5 | -101.8 | -47 | 0 | 0 | 0 | 108.4 | ||||
| 4 | R | 57.1 | Low | 50.3 | Low | 237 Ų | 237 | 130.6 Ų | 130.6 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | trans | -111.7 | 61.4 | 166.7 | -69 | -172.2 | -178.9 | -175.5 | 1.3 | 108.6 | V2 | V2-R4 HydrophobicContact CG1-CG 4.44Å; V2-R4 PolarHBondContact O-N 3.13Å | ||
| 5 | G | 44.8 | Very low | 50.5 | Low | 74 Ų | 74 | 128.3 Ų | 128.3 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | -92 | 122.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 6 | G | 43.5 | Very low | 50.4 | Low | 70 Ų | 70 | 134.4 Ų | 134.4 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | 165.5 | 45.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S8 | G6-S8 PolarHBondContact O-N 2.96Š| ||
| 7 | A | 49.6 | Very low | 50.4 | Low | 110 Ų | 110 | 132.4 Ų | 132.4 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | -73.6 | 74.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | G9 | A7-G9 VanDerWaalsContact C-N 3.28Å; A7-G9 PolarHBondContact O-N 3.39Å; A7-G9 VanDerWaalsContact O-N 3.13Å | ||
| 8 | S | 54.3 | Low | 50.4 | Low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -83.1 | 80.5 | 167 | 60.4 | 0 | 0 | 0 | 0 | 108.4 | G6 S10 | G6-S8 PolarHBondContact O-N 2.96Å; S8-S10 PolarHBondContact O-N 3.4Å | ||
| 9 | G | 47.7 | Very low | 50.3 | Low | 72 Ų | 72 | 135.9 Ų | 135.9 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | -61.1 | 103.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109 | A7 | A7-G9 VanDerWaalsContact C-N 3.28Å; A7-G9 PolarHBondContact O-N 3.39Å; A7-G9 VanDerWaalsContact O-N 3.13Å | ||
| 10 | S | 54.3 | Low | 50.4 | Low | 102 Ų | 102 | 136.6 Ų | 136.6 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | -63 | 125.3 | 169.3 | 27.3 | 0 | 0 | 0 | 0 | 108.8 | S8 V12 | S8-S10 PolarHBondContact O-N 3.4Å; S10-V12 PolarHBondContact O-N 3.07Å; S10-V12 VanDerWaalsContact O-N 3.14Å | ||
| 11 | P | 52.3 | Low | 50.6 | Low | 100 Ų | 100 | 141.7 Ų | 141.7 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | trans | -68 | 117.1 | 179 | 26.3 | -30.7 | 0 | 0 | 0 | 108.4 | M13 | P11-M13 VanDerWaalsContact C-N 3.31Å; P11-M13 HydrophobicContact CG-CE 4.21Å; P11-M13 PolarHBondContact O-N 3.47Å | ||
| 12 | V | 49.6 | Very low | 50.9 | Low | 124 Ų | 124 | 135.9 Ų | 135.9 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -66 | 95.8 | 172.4 | 177.4 | 0 | 0 | 0 | 0 | 107.6 | S10 H14 | S10-V12 PolarHBondContact O-N 3.07Å; S10-V12 VanDerWaalsContact O-N 3.14Å; V12-H14 PolarHBondContact O-N 3.01Å | ||
| 13 | M | 51.6 | Low | 51.2 | Low | 148 Ų | 148 | 140.5 Ų | 140.5 | 73% | 0.729 | 78% | 0.78 | S | S | * | * | trans | -53.4 | 102.5 | 173.7 | -71.1 | -73 | 162.8 | 0 | 0 | 109.4 | P11 S15 | P11-M13 VanDerWaalsContact C-N 3.31Å; P11-M13 HydrophobicContact CG-CE 4.21Å; P11-M13 PolarHBondContact O-N 3.47Å; M13-S15 PolarHBondContact O-N 2.84Å | ||
| 14 | H | 41.8 | Very low | 51.1 | Low | 152 Ų | 152 | 141.3 Ų | 141.3 | 70% | 0.704 | 78% | 0.776 | S | S | * | * | trans | -72.6 | 69.7 | 165.6 | -95.1 | 63.5 | 0 | 0 | 0 | 109.1 | V12 R16 | V12-H14 PolarHBondContact O-N 3.01Å; H14-R16 PolarHBondContact O-N 2.83Å | ||
| 15 | S | 53.9 | Low | 50.8 | Low | 97 Ų | 97 | 140.4 Ų | 140.4 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | -76.1 | 77.1 | 167.3 | 35.7 | 0 | 0 | 0 | 0 | 109.1 | M13 S17 | M13-S15 PolarHBondContact O-N 2.84Å; S15-S17 PolarHBondContact O-N 3.12Å | ||
| 16 | R | 48.4 | Very low | 51.2 | Low | 226 Ų | 226 | 143.5 Ų | 143.5 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | -71.2 | 65 | 161.7 | -75.9 | -178.1 | 171.6 | 178.7 | -1.1 | 109.4 | H14 R18 | H14-R16 PolarHBondContact O-N 2.83Å; R16-R18 VanDerWaalsContact C-N 3.31Å; R16-R18 PolarHBondContact O-N 3.22Å | ||
| 17 | S | 49.6 | Very low | 51.8 | Low | 99 Ų | 99 | 151.6 Ų | 151.6 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | -86.4 | 76.1 | 165.5 | 47.3 | 0 | 0 | 0 | 0 | 109.2 | S15 | S15-S17 PolarHBondContact O-N 3.12Š| ||
| 18 | R | 50.9 | Low | 51.9 | Low | 251 Ų | 251 | 153.1 Ų | 153.1 | 95% | 0.947 | 77% | 0.769 | S | S | * | * | trans | -123.8 | 48.2 | 156.4 | -77.6 | -172.4 | 177.6 | 178.1 | 0.8 | 109.2 | R16 | R16-R18 VanDerWaalsContact C-N 3.31Å; R16-R18 PolarHBondContact O-N 3.22Å | ||
| 19 | A | 49.6 | Very low | 51.7 | Low | 81 Ų | 81 | 152.8 Ų | 152.8 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | trans | -81.5 | 145.9 | 153 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 20 | D | 51.3 | Low | 51.9 | Low | 149 Ų | 149 | 154.8 Ų | 154.8 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | 69 | 66.1 | 165.6 | -58.3 | -29.7 | 0 | 0 | 0 | 118.7 | ||||
| 21 | R | 55.5 | Low | 51.6 | Low | 244 Ų | 244 | 154.7 Ų | 154.7 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | trans | -100.6 | 102.1 | 135.7 | -84.1 | -172.9 | 173.7 | -170 | -1.7 | 108.7 | R23 | R21-R23 PolarHBondContact O-N 3.17Å; R21-R23 VanDerWaalsContact O-N 3.12Å | ||
| 22 | P | 54.8 | Low | 51.5 | Low | 117 Ų | 117 | 154.5 Ų | 154.5 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | -62.5 | 118.9 | 174.6 | 24.8 | -31.5 | 0 | 0 | 0 | 108.7 | K24 | P22-K24 PolarHBondContact O-N 2.96Š| ||
| 23 | R | 58 | Low | 51.5 | Low | 224 Ų | 224 | 153.3 Ų | 153.3 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | trans | -62.3 | 99.7 | 169.2 | -85.2 | 174.6 | 160.1 | 152.8 | -6.7 | 107.8 | R21 R25 | R21-R23 PolarHBondContact O-N 3.17Å; R21-R23 VanDerWaalsContact O-N 3.12Å; R23-R25 PolarHBondContact O-N 2.78Å | ||
| 24 | K | 54.3 | Low | 51.2 | Low | 180 Ų | 180 | 151.6 Ų | 151.6 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -57.9 | 87.4 | 159 | -95.5 | 177.5 | 171.6 | -179.4 | 0 | 108 | P22 H26 | P22-K24 PolarHBondContact O-N 2.96Å; K24-H26 PolarHBondContact O-N 3.19Å | ||
| 25 | R | 52.1 | Low | 51.5 | Low | 219 Ų | 219 | 152.3 Ų | 152.3 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -71.6 | 86.4 | 160.5 | -74.7 | -179.8 | 171.9 | 163.2 | -3.2 | 105.9 | R23 R27 | R23-R25 PolarHBondContact O-N 2.78Å; R25-R27 VanDerWaalsContact C-N 3.31Å; R25-R27 PolarHBondContact O-N 3.44Å | ||
| 26 | H | 52.9 | Low | 51.2 | Low | 138 Ų | 138 | 154.4 Ų | 154.4 | 64% | 0.639 | 79% | 0.787 | S | S | * | * | trans | -61.5 | 103.7 | 160.5 | -78.7 | -80.1 | 0 | 0 | 0 | 106.4 | K24 N28 | K24-H26 PolarHBondContact O-N 3.19Å; H26-N28 PolarHBondContact O-N 3.29Å | ||
| 27 | R | 55.2 | Low | 51 | Low | 240 Ų | 240 | 147.3 Ų | 147.3 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | trans | -63.8 | 93.2 | 159 | -74.4 | -179.6 | 174.3 | 172.2 | -2 | 104.8 | R25 S29 | R25-R27 VanDerWaalsContact C-N 3.31Å; R25-R27 PolarHBondContact O-N 3.44Å; R27-S29 VanDerWaalsContact C-N 3.27Å; R27-S29 PolarHBondContact O-N 3.44Å | ||
| 28 | N | 51.7 | Low | 51.1 | Low | 143 Ų | 143 | 147 Ų | 147 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | trans | -62.6 | 101.7 | 165 | -78 | 25.1 | 0 | 0 | 0 | 105.8 | H26 S30 | H26-N28 PolarHBondContact O-N 3.29Å; N28-S30 VanDerWaalsContact C-N 3.31Å; N28-S30 PolarHBondContact O-N 2.84Å | ||
| 29 | S | 50.7 | Low | 51.4 | Low | 103 Ų | 103 | 140.5 Ų | 140.5 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | -58.4 | 99.1 | 163.3 | 51.7 | 0 | 0 | 0 | 0 | 106.7 | R27 S31 | R27-S29 VanDerWaalsContact C-N 3.27Å; R27-S29 PolarHBondContact O-N 3.44Å; S29-S31 VanDerWaalsContact C-N 3.27Å; S29-S31 PolarHBondContact O-N 2.85Å | ||
| 30 | S | 51.4 | Low | 51.7 | Low | 113 Ų | 113 | 139.3 Ų | 139.3 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | -67 | 95.5 | 166 | 48.8 | 0 | 0 | 0 | 0 | 107.1 | N28 A32 | N28-S30 VanDerWaalsContact C-N 3.31Å; N28-S30 PolarHBondContact O-N 2.84Å; S30-A32 PolarHBondContact O-N 2.76Å; S30-A32 VanDerWaalsContact O-N 3.13Å | ||
| 31 | S | 48.8 | Very low | 51.9 | Low | 100 Ų | 100 | 136.5 Ų | 136.5 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | trans | -49.1 | 114.5 | 156.2 | -38.8 | 0 | 0 | 0 | 0 | 106.8 | S29 S33 | S29-S31 VanDerWaalsContact C-N 3.27Å; S29-S31 PolarHBondContact O-N 2.85Å; S31-S33 PolarHBondContact O-N 3.39Å | ||
| 32 | A | 49.7 | Very low | 52 | Low | 97 Ų | 97 | 129.9 Ų | 129.9 | 80% | 0.802 | 73% | 0.726 | S | S | * | * | trans | -66.5 | 84.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | S30 S34 | S30-A32 PolarHBondContact O-N 2.76Å; S30-A32 VanDerWaalsContact O-N 3.13Å; A32-S34 PolarHBondContact O-N 3.47Å; A32-S34 VanDerWaalsContact O-N 3.13Å | ||
| 33 | S | 50.3 | Low | 52.5 | Low | 99 Ų | 99 | 129.4 Ų | 129.4 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | trans | -74.6 | 97.8 | 164.9 | 47.4 | 0 | 0 | 0 | 0 | 107.1 | S31 Q35 | S31-S33 PolarHBondContact O-N 3.39Å; S33-Q35 PolarHBondContact O-N 2.87Å | ||
| 34 | S | 45 | Very low | 52.8 | Low | 111 Ų | 111 | 123.7 Ų | 123.7 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | trans | -61.2 | 82.6 | 168.7 | 13.5 | 0 | 0 | 0 | 0 | 109.3 | A32 T36 | A32-S34 PolarHBondContact O-N 3.47Å; A32-S34 VanDerWaalsContact O-N 3.13Å; S34-T36 PolarHBondContact O-N 3.39Å | ||
| 35 | Q | 47.7 | Very low | 53.4 | Low | 168 Ų | 168 | 117.1 Ų | 117.1 | 79% | 0.785 | 68% | 0.683 | S | S | * | * | trans | -78.1 | 99.1 | 164.9 | -80.4 | -172.8 | -7.2 | 0 | 0 | 108.7 | S33 S37 | S33-Q35 PolarHBondContact O-N 2.87Å; Q35-S37 PolarHBondContact O-N 3.38Å | ||
| 36 | T | 46.4 | Very low | 54.4 | Low | 140 Ų | 140 | 110.7 Ų | 110.7 | 86% | 0.859 | 66% | 0.663 | S | S | * | * | trans | -60 | 101.2 | 165.5 | 67.4 | 0 | 0 | 0 | 0 | 107.8 | S34 | S34-T36 PolarHBondContact O-N 3.39Š| ||
| 37 | S | 45.3 | Very low | 55.5 | Low | 77 Ų | 77 | 110.1 Ų | 110.1 | 54% | 0.538 | 66% | 0.663 | S | S | . | * | trans | -140.7 | 138.8 | 174.8 | 50.7 | 0 | 0 | 0 | 0 | 110.4 | Q35 | Q35-S37 PolarHBondContact O-N 3.38Š| ||
| 38 | S | 51.3 | Low | 56.7 | Low | 92 Ų | 92 | 104.8 Ų | 104.8 | 64% | 0.643 | 65% | 0.646 | S | S | * | * | trans | -54.5 | 141.5 | -157.9 | -51.1 | 0 | 0 | 0 | 0 | 114.6 | G40 S41 | S38-G40 PolarHBondContact O-N 2.8Å; S38-S41 PolarHBondContact O-N 3.48Å | ||
| 39 | P | 56.8 | Low | 57.9 | Low | 116 Ų | 116 | 105 Ų | 105 | 75% | 0.753 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.4 | -12.8 | -165.9 | 22.9 | -33.3 | 0 | 0 | 0 | 115.6 | ||
| 40 | G | 56.7 | Low | 59.3 | Low | 56 Ų | 56 | 104.4 Ų | 104.4 | 58% | 0.577 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -89.3 | -27.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | S38 | S38-G40 PolarHBondContact O-N 2.8Å |
| 41 | S | 55.5 | Low | 60.9 | Low | 90 Ų | 90 | 101 Ų | 101 | 63% | 0.629 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -88.3 | -29.1 | -174 | 175 | 0 | 0 | 0 | 0 | 112.9 | S38 S45 | S38-S41 PolarHBondContact O-N 3.48Å; S41-S45 WeakPolarHBondContact O-CB 3.3Å; S41-S45 PolarHBondContact O-N 2.79Å |
| 42 | F | 58.5 | Low | 62.6 | Low | 104 Ų | 104 | 103.2 Ų | 103.2 | 46% | 0.456 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.8 | -42.6 | -178.6 | -168.9 | -99 | 0 | 0 | 0 | 112.4 | V44 S45 E46 | F42-V44 PolarHBondContact O-N 2.91Å; F42-S45 PolarHBondContact O-N 3.13Å; F42-E46 WeakPolarHBondContact CE1-OE2 3.34Å; F42-E46 VanDerWaalsContact O-CB 3.29Å; F42-E46 WeakPolarHBondContact O-CB 3.45Å; F42-E46 PolarHBondContact O-N 2.81Å |
| 43 | L | 63.3 | Low | 64.4 | Low | 108 Ų | 108 | 102.6 Ų | 102.6 | 57% | 0.565 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.7 | -44.6 | -179.4 | -66.7 | 174.6 | 0 | 0 | 0 | 112.3 | E46 I47 | L43-E46 PolarHBondContact O-N 3.11Å; L43-I47 WeakPolarHBondContact O-CB 3.13Å; L43-I47 WeakPolarHBondContact O-CD1 3.49Å; L43-I47 WeakPolarHBondContact O-CG1 3.34Å; L43-I47 PolarHBondContact O-N 2.85Å |
| 44 | V | 64.8 | Low | 66.2 | Low | 103 Ų | 103 | 101.4 Ų | 101.4 | 62% | 0.624 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.4 | -39.3 | 179.1 | -177 | 0 | 0 | 0 | 0 | 111.1 | F42 K48 | F42-V44 PolarHBondContact O-N 2.91Å; V44-K48 WeakPolarHBondContact O-CB 3.41Å; V44-K48 PolarHBondContact O-N 2.89Å |
| 45 | S | 67.2 | Low | 68.4 | Low | 43 Ų | 43 | 102.7 Ų | 102.7 | 30% | 0.301 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.4 | -39.8 | 177.9 | -163.8 | 0 | 0 | 0 | 0 | 112.2 | S41 F42 K48 R49 | S41-S45 WeakPolarHBondContact O-CB 3.3Å; S41-S45 PolarHBondContact O-N 2.79Å; F42-S45 PolarHBondContact O-N 3.13Å; S45-K48 PolarHBondContact O-N 3.43Å; S45-R49 VanDerWaalsContact O-CB 3.3Å; S45-R49 WeakPolarHBondContact O-CB 3.49Å; S45-R49 WeakPolarHBondContact O-CG 3.21Å; S45-R49 PolarHBondContact O-N 2.81Å |
| 46 | E | 72.9 | Confident | 70.5 | Confident | 84 Ų | 84 | 99.1 Ų | 99.1 | 39% | 0.393 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71.2 | -41.5 | 177.5 | -167.8 | 163.2 | -143.9 | 0 | 0 | 112 | F42 L43 K48 R49 N50 | F42-E46 WeakPolarHBondContact CE1-OE2 3.34Å; F42-E46 VanDerWaalsContact O-CB 3.29Å; F42-E46 WeakPolarHBondContact O-CB 3.45Å; F42-E46 PolarHBondContact O-N 2.81Å; L43-E46 PolarHBondContact O-N 3.11Å; E46-K48 VanDerWaalsContact C-N 3.34Å; E46-K48 PolarHBondContact O-N 3.36Å; E46-R49 PolarHBondContact O-N 3.18Å; E46-N50 WeakPolarHBondContact O-CB 3.24Å; E46-N50 PolarHBondContact O-N 2.89Å; E46-N50 PolarHBondContact O-OD1 2.87Å |
| 47 | I | 76.7 | Confident | 72.6 | Confident | 125 Ų | 125 | 99.9 Ų | 99.9 | 64% | 0.641 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60 | -44.4 | 172.4 | -67 | 162.7 | 0 | 0 | 0 | 110.6 | L43 G51 | L43-I47 WeakPolarHBondContact O-CB 3.13Å; L43-I47 WeakPolarHBondContact O-CD1 3.49Å; L43-I47 WeakPolarHBondContact O-CG1 3.34Å; L43-I47 PolarHBondContact O-N 2.85Å; I47-G51 PolarHBondContact O-N 2.93Å |
| 48 | K | 79.9 | Confident | 74.8 | Confident | 129 Ų | 129 | 103.2 Ų | 103.2 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69.4 | -37.2 | 178.9 | -169.2 | 171.4 | -176.9 | 173.1 | 0 | 112.8 | V44 S45 E46 R52 | V44-K48 WeakPolarHBondContact O-CB 3.41Å; V44-K48 PolarHBondContact O-N 2.89Å; S45-K48 PolarHBondContact O-N 3.43Å; E46-K48 VanDerWaalsContact C-N 3.34Å; E46-K48 PolarHBondContact O-N 3.36Å; K48-R52 WeakPolarHBondContact O-CG 3.24Å; K48-R52 PolarHBondContact O-N 3.28Å |
| 49 | R | 77.9 | Confident | 76.8 | Confident | 148 Ų | 148 | 106 Ų | 106 | 56% | 0.558 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.1 | -42.9 | 174 | -76.2 | 173.3 | -174.6 | 169.8 | 1.8 | 111.5 | S45 E46 R52 N53 | S45-R49 VanDerWaalsContact O-CB 3.3Å; S45-R49 WeakPolarHBondContact O-CB 3.49Å; S45-R49 WeakPolarHBondContact O-CG 3.21Å; S45-R49 PolarHBondContact O-N 2.81Å; E46-R49 PolarHBondContact O-N 3.18Å; R49-R52 PolarHBondContact O-N 3.47Å; R49-N53 WeakPolarHBondContact O-CB 3.49Å; R49-N53 PolarHBondContact O-N 3.35Å; R49-N53 PolarHBondContact O-ND2 2.86Å |
| 50 | N | 80 | Confident | 78.6 | Confident | 90 Ų | 90 | 104.2 Ų | 104.2 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 176.5 | -72.3 | 7.2 | 0 | 0 | 0 | 110.6 | E46 N53 E54 | E46-N50 WeakPolarHBondContact O-CB 3.24Å; E46-N50 PolarHBondContact O-N 2.89Å; E46-N50 PolarHBondContact O-OD1 2.87Å; N50-N53 PolarHBondContact O-N 3.23Å; N50-E54 WeakPolarHBondContact O-CB 3.49Å; N50-E54 PolarHBondContact O-N 3.33Å |
| 51 | G | 83.8 | Confident | 80.3 | Confident | 41 Ų | 41 | 106.8 Ų | 106.8 | 42% | 0.423 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | I47 E54 E55 | I47-G51 PolarHBondContact O-N 2.93Å; G51-E54 PolarHBondContact O-N 3.43Å; G51-E55 WeakPolarHBondContact O-CB 3.15Å; G51-E55 PolarHBondContact O-N 2.95Å |
| 52 | R | 84.9 | Confident | 82.1 | Confident | 147 Ų | 147 | 108 Ų | 108 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.2 | -42.5 | 174.6 | -75.2 | 175.5 | 176.5 | -178.1 | -3.4 | 112.8 | K48 R49 E54 E55 I56 | K48-R52 WeakPolarHBondContact O-CG 3.24Å; K48-R52 PolarHBondContact O-N 3.28Å; R49-R52 PolarHBondContact O-N 3.47Å; R52-E54 VanDerWaalsContact C-N 3.32Å; R52-E55 PolarHBondContact O-N 3.36Å; R52-I56 WeakPolarHBondContact O-CD1 3.23Å; R52-I56 WeakPolarHBondContact O-CG1 3.28Å; R52-I56 PolarHBondContact O-N 3.22Å |
| 53 | N | 88.2 | Confident | 83.8 | Confident | 84 Ų | 84 | 108.4 Ų | 108.4 | 45% | 0.449 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 177.7 | -74.4 | -18.6 | 0 | 0 | 0 | 111.2 | R49 N50 I56 R57 | R49-N53 WeakPolarHBondContact O-CB 3.49Å; R49-N53 PolarHBondContact O-N 3.35Å; R49-N53 PolarHBondContact O-ND2 2.86Å; N50-N53 PolarHBondContact O-N 3.23Å; N53-I56 PolarHBondContact O-N 2.95Å; N53-R57 WeakPolarHBondContact O-CB 3.28Å; N53-R57 VanDerWaalsContact O-CG 3.29Å; N53-R57 WeakPolarHBondContact O-CG 3.39Å; N53-R57 PolarHBondContact O-N 2.94Å |
| 54 | E | 88.2 | Confident | 85.3 | Confident | 74 Ų | 74 | 105.3 Ų | 105.3 | 35% | 0.346 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.1 | -41.4 | 176 | -173 | 61.9 | -163.7 | 0 | 0 | 111.4 | N50 G51 R52 R57 R58 | N50-E54 WeakPolarHBondContact O-CB 3.49Å; N50-E54 PolarHBondContact O-N 3.33Å; G51-E54 PolarHBondContact O-N 3.43Å; R52-E54 VanDerWaalsContact C-N 3.32Å; E54-R57 PolarHBondContact O-N 2.92Å; E54-R58 WeakPolarHBondContact O-CB 3.47Å; E54-R58 VanDerWaalsContact O-CG 3.28Å; E54-R58 WeakPolarHBondContact O-CG 3.22Å; E54-R58 PolarHBondContact O-N 3.02Å; E54-R58 IonicContact OE1-CZ 3.27Å; E54-R58 IonicContact OE1-NE 2.7Å; E54-R58 PolarHBondContact OE1-NE 3.42Å; E54-R58 IonicContact OE1-NH2 3.9Å |
| 55 | E | 90.3 | Very high | 86.7 | Confident | 137 Ų | 137 | 105.8 Ų | 105.8 | 64% | 0.64 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.8 | -40.7 | 173.8 | -169.4 | 177.5 | -170.8 | 0 | 0 | 112.2 | G51 R52 R58 R59 | G51-E55 WeakPolarHBondContact O-CB 3.15Å; G51-E55 PolarHBondContact O-N 2.95Å; R52-E55 PolarHBondContact O-N 3.36Å; E55-R58 PolarHBondContact O-N 3.48Å; E55-R59 WeakPolarHBondContact O-CB 3.31Å; E55-R59 PolarHBondContact O-N 2.88Å |
| 56 | I | 92.2 | Very high | 88.1 | Confident | 94 Ų | 94 | 109.4 Ų | 109.4 | 48% | 0.482 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 173.5 | -68.2 | 162.7 | 0 | 0 | 0 | 110.6 | R52 N53 R59 D60 | R52-I56 WeakPolarHBondContact O-CD1 3.23Å; R52-I56 WeakPolarHBondContact O-CG1 3.28Å; R52-I56 PolarHBondContact O-N 3.22Å; N53-I56 PolarHBondContact O-N 2.95Å; I56-R59 PolarHBondContact O-N 2.89Å; I56-D60 WeakPolarHBondContact O-CB 3.41Å; I56-D60 PolarHBondContact O-N 2.83Å |
| 57 | R | 90.7 | Very high | 89.2 | Confident | 156 Ų | 156 | 109.6 Ų | 109.6 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.1 | -48.8 | 176.6 | -77.1 | 175 | -177.5 | 176.7 | -0.4 | 111.7 | N53 E54 R59 D60 E61 | N53-R57 WeakPolarHBondContact O-CB 3.28Å; N53-R57 VanDerWaalsContact O-CG 3.29Å; N53-R57 WeakPolarHBondContact O-CG 3.39Å; N53-R57 PolarHBondContact O-N 2.94Å; E54-R57 PolarHBondContact O-N 2.92Å; R57-R59 VanDerWaalsContact C-N 3.31Å; R57-R59 PolarHBondContact O-N 3.31Å; R57-D60 PolarHBondContact O-N 3.29Å; R57-E61 WeakPolarHBondContact O-CB 3.33Å; R57-E61 VanDerWaalsContact O-CG 3.27Å; R57-E61 WeakPolarHBondContact O-CG 3.41Å; R57-E61 PolarHBondContact O-N 2.86Å |
| 58 | R | 92.1 | Very high | 90.1 | Very high | 147 Ų | 147 | 111.8 Ų | 111.8 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.1 | -41.9 | 176.6 | -71.6 | 174 | -171.2 | -175.5 | 1.6 | 111.9 | E54 E55 E61 Q62 | E54-R58 WeakPolarHBondContact O-CB 3.47Å; E54-R58 VanDerWaalsContact O-CG 3.28Å; E54-R58 WeakPolarHBondContact O-CG 3.22Å; E54-R58 PolarHBondContact O-N 3.02Å; E54-R58 IonicContact OE1-CZ 3.27Å; E54-R58 IonicContact OE1-NE 2.7Å; E54-R58 PolarHBondContact OE1-NE 3.42Å; E54-R58 IonicContact OE1-NH2 3.9Å; E55-R58 PolarHBondContact O-N 3.48Å; R58-E61 PolarHBondContact O-N 3.42Å; R58-Q62 WeakPolarHBondContact O-CB 3.36Å; R58-Q62 VanDerWaalsContact O-CG 3.27Å; R58-Q62 WeakPolarHBondContact O-CG 3.46Å; R58-Q62 PolarHBondContact O-N 3.42Å |
| 59 | R | 92.6 | Very high | 90.9 | Very high | 149 Ų | 149 | 109.3 Ų | 109.3 | 56% | 0.562 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.6 | -40.1 | 177.1 | -172.5 | 179.8 | -174.3 | -179.8 | 3 | 112.3 | E55 I56 R57 R63 | E55-R59 WeakPolarHBondContact O-CB 3.31Å; E55-R59 PolarHBondContact O-N 2.88Å; I56-R59 PolarHBondContact O-N 2.89Å; R57-R59 VanDerWaalsContact C-N 3.31Å; R57-R59 PolarHBondContact O-N 3.31Å; R59-R63 VanDerWaalsContact O-CG 3.31Å; R59-R63 WeakPolarHBondContact O-CG 3.25Å; R59-R63 PolarHBondContact O-N 3.42Å |
| 60 | D | 93.5 | Very high | 91.7 | Very high | 79 Ų | 79 | 107.2 Ų | 107.2 | 42% | 0.422 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.1 | -35.4 | 177.7 | -72.4 | -19 | 0 | 0 | 0 | 111.6 | I56 R57 R63 A64 | I56-D60 WeakPolarHBondContact O-CB 3.41Å; I56-D60 PolarHBondContact O-N 2.83Å; R57-D60 PolarHBondContact O-N 3.29Å; D60-R63 PolarHBondContact O-N 2.9Å; D60-R63 IonicContact OD1-NH1 3.36Å; D60-R63 PolarHBondContact OD1-NH1 2.98Å; D60-A64 WeakPolarHBondContact O-CB 3.39Å; D60-A64 PolarHBondContact O-N 2.93Å |
| 61 | E | 93.3 | Very high | 92.5 | Very high | 111 Ų | 111 | 111.6 Ų | 111.6 | 52% | 0.519 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 170.6 | -75.3 | 167.6 | -175.6 | 0 | 0 | 111.2 | R57 R58 R63 A64 E65 | R57-E61 WeakPolarHBondContact O-CB 3.33Å; R57-E61 VanDerWaalsContact O-CG 3.27Å; R57-E61 WeakPolarHBondContact O-CG 3.41Å; R57-E61 PolarHBondContact O-N 2.86Å; R58-E61 PolarHBondContact O-N 3.42Å; E61-R63 PolarHBondContact O-N 3.27Å; E61-A64 PolarHBondContact O-N 3.47Å; E61-A64 VanDerWaalsContact O-N 3.15Å; E61-E65 WeakPolarHBondContact O-CG 3.32Å; E61-E65 PolarHBondContact O-N 3.18Å |
| 62 | Q | 94.1 | Very high | 93.1 | Very high | 114 Ų | 114 | 115.3 Ų | 115.3 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.9 | -45.1 | 174.9 | -75.9 | 174 | -11.2 | 0 | 0 | 112.2 | R58 A64 E65 E66 | R58-Q62 WeakPolarHBondContact O-CB 3.36Å; R58-Q62 VanDerWaalsContact O-CG 3.27Å; R58-Q62 WeakPolarHBondContact O-CG 3.46Å; R58-Q62 PolarHBondContact O-N 3.42Å; Q62-A64 VanDerWaalsContact C-N 3.34Å; Q62-A64 PolarHBondContact O-N 3.47Å; Q62-E65 PolarHBondContact O-N 3.42Å; Q62-E66 WeakPolarHBondContact O-CB 3.25Å; Q62-E66 VanDerWaalsContact O-CG 3.32Å; Q62-E66 WeakPolarHBondContact O-CG 3.29Å; Q62-E66 PolarHBondContact O-N 3.39Å |
| 63 | R | 94.2 | Very high | 93.7 | Very high | 114 Ų | 114 | 116 Ų | 116 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 175.4 | -74.4 | 167 | 169.6 | 177.1 | -7.2 | 112.2 | R59 D60 E61 E65 E66 D67 | R59-R63 VanDerWaalsContact O-CG 3.31Å; R59-R63 WeakPolarHBondContact O-CG 3.25Å; R59-R63 PolarHBondContact O-N 3.42Å; D60-R63 PolarHBondContact O-N 2.9Å; D60-R63 IonicContact OD1-NH1 3.36Å; D60-R63 PolarHBondContact OD1-NH1 2.98Å; E61-R63 PolarHBondContact O-N 3.27Å; R63-E65 VanDerWaalsContact C-N 3.31Å; R63-E66 PolarHBondContact O-N 3.43Å; R63-D67 WeakPolarHBondContact O-CB 3.34Å; R63-D67 PolarHBondContact O-N 3.43Å |
| 64 | A | 94 | Very high | 94.2 | Very high | 42 Ų | 42 | 120.1 Ų | 120.1 | 35% | 0.347 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.5 | -34.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D60 E61 Q62 R68 | D60-A64 WeakPolarHBondContact O-CB 3.39Å; D60-A64 PolarHBondContact O-N 2.93Å; E61-A64 PolarHBondContact O-N 3.47Å; E61-A64 VanDerWaalsContact O-N 3.15Å; Q62-A64 VanDerWaalsContact C-N 3.34Å; Q62-A64 PolarHBondContact O-N 3.47Å; A64-R68 WeakPolarHBondContact O-CD 3.36Å; A64-R68 WeakPolarHBondContact O-CG 3.5Å; A64-R68 PolarHBondContact O-N 2.97Å; A64-R68 VanDerWaalsContact O-N 3.09Å |
| 65 | E | 95 | Very high | 94.6 | Very high | 113 Ų | 113 | 118.7 Ų | 118.7 | 53% | 0.528 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.5 | -46.8 | 173.2 | -73.1 | 175.9 | 178.9 | 0 | 0 | 111.9 | E61 Q62 R63 D67 R68 I69 | E61-E65 WeakPolarHBondContact O-CG 3.32Å; E61-E65 PolarHBondContact O-N 3.18Å; Q62-E65 PolarHBondContact O-N 3.42Å; R63-E65 VanDerWaalsContact C-N 3.31Å; E65-D67 VanDerWaalsContact C-N 3.34Å; E65-D67 PolarHBondContact O-N 2.9Å; E65-R68 WeakPolarHBondContact O-CB 3.48Å; E65-R68 PolarHBondContact O-N 2.82Å; E65-R68 VanDerWaalsContact O-N 3.16Å; E65-I69 WeakPolarHBondContact O-CG1 3.41Å; E65-I69 PolarHBondContact O-N 2.96Å |
| 66 | E | 95.6 | Very high | 94.9 | Very high | 119 Ų | 119 | 117.9 Ų | 117.9 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -56.6 | -46.9 | 173.8 | -73.9 | 174.5 | 174.8 | 0 | 0 | 111.3 | Q62 R63 R68 I69 L70 | Q62-E66 WeakPolarHBondContact O-CB 3.25Å; Q62-E66 VanDerWaalsContact O-CG 3.32Å; Q62-E66 WeakPolarHBondContact O-CG 3.29Å; Q62-E66 PolarHBondContact O-N 3.39Å; R63-E66 PolarHBondContact O-N 3.43Å; E66-R68 VanDerWaalsContact C-N 3.32Å; E66-R68 PolarHBondContact O-N 3.34Å; E66-I69 PolarHBondContact O-N 2.91Å; E66-L70 WeakPolarHBondContact O-CB 3.45Å; E66-L70 VanDerWaalsContact O-CG 3.31Å; E66-L70 WeakPolarHBondContact O-CG 3.34Å; E66-L70 PolarHBondContact O-N 3.15Å |
| 67 | D | 95.9 | Very high | 95.2 | Very high | 89 Ų | 89 | 116 Ų | 116 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.1 | -38.9 | 176.6 | -85 | -9.2 | 0 | 0 | 0 | 112.5 | R63 E65 R71 | R63-D67 WeakPolarHBondContact O-CB 3.34Å; R63-D67 PolarHBondContact O-N 3.43Å; E65-D67 VanDerWaalsContact C-N 3.34Å; E65-D67 PolarHBondContact O-N 2.9Å; D67-R71 VanDerWaalsContact O-CG 3.23Å; D67-R71 WeakPolarHBondContact O-CG 3.33Å; D67-R71 PolarHBondContact O-N 3.01Å |
| 68 | R | 95.3 | Very high | 95.5 | Very high | 171 Ų | 171 | 112.1 Ų | 112.1 | 65% | 0.645 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.7 | -46.2 | 175.6 | -75.6 | 168.4 | -173 | -171.2 | 4.3 | 111 | A64 E65 E66 L70 R71 Q72 | A64-R68 WeakPolarHBondContact O-CD 3.36Å; A64-R68 WeakPolarHBondContact O-CG 3.5Å; A64-R68 PolarHBondContact O-N 2.97Å; A64-R68 VanDerWaalsContact O-N 3.09Å; E65-R68 WeakPolarHBondContact O-CB 3.48Å; E65-R68 PolarHBondContact O-N 2.82Å; E65-R68 VanDerWaalsContact O-N 3.16Å; E66-R68 VanDerWaalsContact C-N 3.32Å; E66-R68 PolarHBondContact O-N 3.34Å; R68-L70 VanDerWaalsContact C-N 3.35Å; R68-R71 PolarHBondContact O-N 3.02Å; R68-Q72 WeakPolarHBondContact O-CG 3.46Å; R68-Q72 PolarHBondContact O-N 3.45Å |
| 69 | I | 96.3 | Very high | 95.7 | Very high | 77 Ų | 77 | 109.8 Ų | 109.8 | 40% | 0.395 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 178.5 | -67 | 165.2 | 0 | 0 | 0 | 110.2 | E65 E66 R71 Q72 R73 | E65-I69 WeakPolarHBondContact O-CG1 3.41Å; E65-I69 PolarHBondContact O-N 2.96Å; E66-I69 PolarHBondContact O-N 2.91Å; I69-R71 PolarHBondContact O-N 3.49Å; I69-Q72 PolarHBondContact O-N 2.86Å; I69-R73 HydrophobicContact CG2-CG 4.31Å; I69-R73 WeakPolarHBondContact O-CB 3.26Å; I69-R73 VanDerWaalsContact O-CG 3.32Å; I69-R73 WeakPolarHBondContact O-CG 3.41Å; I69-R73 PolarHBondContact O-N 3.16Å |
| 70 | L | 96.6 | Very high | 96 | Very high | 103 Ų | 103 | 107.8 Ų | 107.8 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 177.2 | -74 | 172.3 | 0 | 0 | 0 | 112.1 | E66 R68 W74 | E66-L70 WeakPolarHBondContact O-CB 3.45Å; E66-L70 VanDerWaalsContact O-CG 3.31Å; E66-L70 WeakPolarHBondContact O-CG 3.34Å; E66-L70 PolarHBondContact O-N 3.15Å; R68-L70 VanDerWaalsContact C-N 3.35Å; L70-W74 VanDerWaalsContact O-CB 3.28Å; L70-W74 WeakPolarHBondContact O-CB 3.28Å; L70-W74 PolarHBondContact O-N 3.39Å |
| 71 | R | 96.2 | Very high | 96.2 | Very high | 182 Ų | 182 | 108.7 Ų | 108.7 | 69% | 0.687 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.6 | -41.9 | 176.1 | -72.5 | 172.2 | -171.4 | -141.9 | 3.9 | 112.4 | D67 R68 I69 W74 A75 | D67-R71 VanDerWaalsContact O-CG 3.23Å; D67-R71 WeakPolarHBondContact O-CG 3.33Å; D67-R71 PolarHBondContact O-N 3.01Å; R68-R71 PolarHBondContact O-N 3.02Å; I69-R71 PolarHBondContact O-N 3.49Å; R71-W74 PolarHBondContact O-N 2.89Å; R71-A75 WeakPolarHBondContact O-CB 3.4Å; R71-A75 PolarHBondContact O-N 2.92Å |
| 72 | Q | 96.7 | Very high | 96.4 | Very high | 120 Ų | 120 | 108 Ų | 108 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.9 | -50.6 | 176.4 | -74.9 | 174.6 | -15 | 0 | 0 | 110.9 | R68 I69 W74 A75 E76 | R68-Q72 WeakPolarHBondContact O-CG 3.46Å; R68-Q72 PolarHBondContact O-N 3.45Å; I69-Q72 PolarHBondContact O-N 2.86Å; Q72-W74 VanDerWaalsContact C-N 3.28Å; Q72-W74 PolarHBondContact O-N 2.84Å; Q72-A75 PolarHBondContact O-N 3.5Å; Q72-A75 VanDerWaalsContact O-N 3.11Å; Q72-E76 WeakPolarHBondContact O-CG 3.18Å; Q72-E76 PolarHBondContact O-N 2.89Å |
| 73 | R | 97.3 | Very high | 96.5 | Very high | 161 Ų | 161 | 106.2 Ų | 106.2 | 61% | 0.608 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -57.8 | -40.3 | 175.8 | -72.9 | 178.5 | 178.9 | -178.9 | 1.5 | 112.4 | I69 S77 | I69-R73 HydrophobicContact CG2-CG 4.31Å; I69-R73 WeakPolarHBondContact O-CB 3.26Å; I69-R73 VanDerWaalsContact O-CG 3.32Å; I69-R73 WeakPolarHBondContact O-CG 3.41Å; I69-R73 PolarHBondContact O-N 3.16Å; R73-S77 VanDerWaalsContact O-CB 3.25Å; R73-S77 WeakPolarHBondContact O-CB 3.28Å; R73-S77 PolarHBondContact O-N 2.87Å |
| 74 | W | 97.8 | Very high | 96.7 | Very high | 170 Ų | 170 | 104.7 Ų | 104.7 | 64% | 0.644 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66 | -43.4 | 176.2 | -177.2 | 87.8 | 0 | 0 | 0 | 111.9 | L70 R71 Q72 S77 K78 | L70-W74 VanDerWaalsContact O-CB 3.28Å; L70-W74 WeakPolarHBondContact O-CB 3.28Å; L70-W74 PolarHBondContact O-N 3.39Å; R71-W74 PolarHBondContact O-N 2.89Å; Q72-W74 VanDerWaalsContact C-N 3.28Å; Q72-W74 PolarHBondContact O-N 2.84Å; W74-S77 PolarHBondContact O-N 3.24Å; W74-K78 HydrophobicContact CD2-CG 3.98Å; W74-K78 HydrophobicContact CE3-CG 4.15Å; W74-K78 HydrophobicContact CH2-CD 4.44Å; W74-K78 HydrophobicContact CH2-CG 3.95Å; W74-K78 HydrophobicContact CZ2-CD 4.04Å; W74-K78 HydrophobicContact CZ2-CG 3.76Å; W74-K78 HydrophobicContact CZ3-CG 4.14Å; W74-K78 WeakPolarHBondContact O-CB 3.44Å; W74-K78 VanDerWaalsContact O-CG 3.28Å; W74-K78 WeakPolarHBondContact O-CG 3.45Å; W74-K78 PolarHBondContact O-N 2.91Å |
| 75 | A | 97 | Very high | 96.9 | Very high | 44 Ų | 44 | 104.7 Ų | 104.7 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R71 Q72 K78 L79 | R71-A75 WeakPolarHBondContact O-CB 3.4Å; R71-A75 PolarHBondContact O-N 2.92Å; Q72-A75 PolarHBondContact O-N 3.5Å; Q72-A75 VanDerWaalsContact O-N 3.11Å; A75-K78 PolarHBondContact O-N 3.42Å; A75-L79 WeakPolarHBondContact O-CG 3.45Å; A75-L79 PolarHBondContact O-N 3.4Å |
| 76 | E | 97 | Very high | 97 | Very high | 120 Ų | 120 | 103.7 Ų | 103.7 | 56% | 0.561 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.3 | -46.4 | 174.4 | -71.6 | 171 | -174.5 | 0 | 0 | 111.6 | Q72 K78 L79 L80 | Q72-E76 WeakPolarHBondContact O-CG 3.18Å; Q72-E76 PolarHBondContact O-N 2.89Å; E76-K78 VanDerWaalsContact C-N 3.3Å; E76-K78 PolarHBondContact O-N 3.4Å; E76-L79 PolarHBondContact O-N 2.93Å; E76-L80 WeakPolarHBondContact O-CG 3.38Å; E76-L80 PolarHBondContact O-N 3.5Å |
| 77 | S | 97.1 | Very high | 97.1 | Very high | 54 Ų | 54 | 105.8 Ų | 105.8 | 38% | 0.378 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 175.6 | -169.7 | 0 | 0 | 0 | 0 | 111.6 | R73 W74 L80 E81 | R73-S77 VanDerWaalsContact O-CB 3.25Å; R73-S77 WeakPolarHBondContact O-CB 3.28Å; R73-S77 PolarHBondContact O-N 2.87Å; W74-S77 PolarHBondContact O-N 3.24Å; S77-L80 PolarHBondContact O-N 2.92Å; S77-E81 WeakPolarHBondContact O-CB 3.35Å; S77-E81 WeakPolarHBondContact O-CG 3.36Å; S77-E81 PolarHBondContact O-N 3.01Å |
| 78 | K | 97.9 | Very high | 97.2 | Very high | 75 Ų | 75 | 106.3 Ų | 106.3 | 33% | 0.326 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.7 | -43.3 | 177.7 | -76.8 | -73.8 | 162.3 | -149.6 | 0 | 112.5 | W74 A75 E76 L80 E81 E82 | W74-K78 HydrophobicContact CD2-CG 3.98Å; W74-K78 HydrophobicContact CE3-CG 4.15Å; W74-K78 HydrophobicContact CH2-CD 4.44Å; W74-K78 HydrophobicContact CH2-CG 3.95Å; W74-K78 HydrophobicContact CZ2-CD 4.04Å; W74-K78 HydrophobicContact CZ2-CG 3.76Å; W74-K78 HydrophobicContact CZ3-CG 4.14Å; W74-K78 WeakPolarHBondContact O-CB 3.44Å; W74-K78 VanDerWaalsContact O-CG 3.28Å; W74-K78 WeakPolarHBondContact O-CG 3.45Å; W74-K78 PolarHBondContact O-N 2.91Å; A75-K78 PolarHBondContact O-N 3.42Å; E76-K78 VanDerWaalsContact C-N 3.3Å; E76-K78 PolarHBondContact O-N 3.4Å; K78-L80 VanDerWaalsContact C-N 3.33Å; K78-L80 PolarHBondContact O-N 2.87Å; K78-E81 IonicContact NZ-OE2 2.64Å; K78-E81 PolarHBondContact NZ-OE2 2.89Å; K78-E81 PolarHBondContact O-N 3.27Å; K78-E82 WeakPolarHBondContact O-CG 3.4Å; K78-E82 PolarHBondContact O-N 3.31Å |
| 79 | L | 97.3 | Very high | 97.4 | Very high | 98 Ų | 98 | 103.7 Ų | 103.7 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 175.5 | -69.9 | 173.1 | 0 | 0 | 0 | 111.6 | A75 E76 E82 E83 | A75-L79 WeakPolarHBondContact O-CG 3.45Å; A75-L79 PolarHBondContact O-N 3.4Å; E76-L79 PolarHBondContact O-N 2.93Å; L79-E82 PolarHBondContact O-N 2.84Å; L79-E83 WeakPolarHBondContact O-CG 3.48Å; L79-E83 PolarHBondContact O-N 3.28Å |
| 80 | L | 97 | Very high | 97.5 | Very high | 108 Ų | 108 | 107.6 Ų | 107.6 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.4 | -44.7 | 175.4 | -71.6 | 173.2 | 0 | 0 | 0 | 112.3 | E76 S77 K78 E82 E83 V84 | E76-L80 WeakPolarHBondContact O-CG 3.38Å; E76-L80 PolarHBondContact O-N 3.5Å; S77-L80 PolarHBondContact O-N 2.92Å; K78-L80 VanDerWaalsContact C-N 3.33Å; K78-L80 PolarHBondContact O-N 2.87Å; L80-E82 VanDerWaalsContact C-N 3.34Å; L80-E82 PolarHBondContact O-N 3.44Å; L80-E83 PolarHBondContact O-N 2.96Å; L80-V84 VanDerWaalsContact O-CG2 3.31Å; L80-V84 WeakPolarHBondContact O-CG2 3.48Å; L80-V84 PolarHBondContact O-N 2.93Å |
| 81 | E | 97.6 | Very high | 97.5 | Very high | 97 Ų | 97 | 109.5 Ų | 109.5 | 45% | 0.453 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.8 | -46.7 | 175 | -79 | 170.6 | -159.2 | 0 | 0 | 111.5 | S77 K78 V84 A85 | S77-E81 WeakPolarHBondContact O-CB 3.35Å; S77-E81 WeakPolarHBondContact O-CG 3.36Å; S77-E81 PolarHBondContact O-N 3.01Å; K78-E81 IonicContact NZ-OE2 2.64Å; K78-E81 PolarHBondContact NZ-OE2 2.89Å; K78-E81 PolarHBondContact O-N 3.27Å; E81-V84 PolarHBondContact O-N 3.42Å; E81-A85 WeakPolarHBondContact O-CB 3.28Å; E81-A85 PolarHBondContact O-N 3.5Å |
| 82 | E | 98 | Very high | 97.6 | Very high | 96 Ų | 96 | 106.1 Ų | 106.1 | 45% | 0.449 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 177.5 | -72.8 | -178.9 | -167.7 | 0 | 0 | 112.7 | K78 L79 L80 V84 A85 R86 | K78-E82 WeakPolarHBondContact O-CG 3.4Å; K78-E82 PolarHBondContact O-N 3.31Å; L79-E82 PolarHBondContact O-N 2.84Å; L80-E82 VanDerWaalsContact C-N 3.34Å; L80-E82 PolarHBondContact O-N 3.44Å; E82-V84 VanDerWaalsContact C-N 3.35Å; E82-A85 PolarHBondContact O-N 2.87Å; E82-R86 WeakPolarHBondContact O-CB 3.44Å; E82-R86 VanDerWaalsContact O-CG 3.28Å; E82-R86 WeakPolarHBondContact O-CG 3.33Å; E82-R86 PolarHBondContact O-N 2.81Å; E82-R86 IonicContact OE2-CZ 3.57Å; E82-R86 IonicContact OE2-NH1 3.66Å; E82-R86 PolarHBondContact OE2-NH1 3.31Å; E82-R86 VanDerWaalsContact OE2-NH1 3.11Å; E82-R86 IonicContact OE2-NH2 3.65Å |
| 83 | E | 97.5 | Very high | 97.7 | Very high | 78 Ų | 78 | 105.4 Ų | 105.4 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 175 | -77.4 | -176.6 | -163.7 | 0 | 0 | 112.2 | L79 L80 R86 R87 | L79-E83 WeakPolarHBondContact O-CG 3.48Å; L79-E83 PolarHBondContact O-N 3.28Å; L80-E83 PolarHBondContact O-N 2.96Å; E83-R86 PolarHBondContact O-N 3.29Å; E83-R87 VanDerWaalsContact O-CG 3.29Å; E83-R87 WeakPolarHBondContact O-CG 3.39Å; E83-R87 PolarHBondContact O-N 3.4Å; E83-R87 IonicContact OE2-NH2 3.85Å |
| 84 | V | 97.7 | Very high | 97.7 | Very high | 81 Ų | 81 | 100.1 Ų | 100.1 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 175.4 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | L80 E81 E82 R86 R87 L88 | L80-V84 VanDerWaalsContact O-CG2 3.31Å; L80-V84 WeakPolarHBondContact O-CG2 3.48Å; L80-V84 PolarHBondContact O-N 2.93Å; E81-V84 PolarHBondContact O-N 3.42Å; E82-V84 VanDerWaalsContact C-N 3.35Å; V84-R86 PolarHBondContact O-N 2.91Å; V84-R87 PolarHBondContact O-N 3.33Å; V84-R87 VanDerWaalsContact O-N 3.12Å; V84-L88 HydrophobicContact CG1-CD1 3.97Å; V84-L88 HydrophobicContact CG1-CG 4.36Å; V84-L88 WeakPolarHBondContact O-CG 3.3Å; V84-L88 PolarHBondContact O-N 2.97Å |
| 85 | A | 97.7 | Very high | 97.7 | Very high | 42 Ų | 42 | 94.9 Ų | 94.9 | 35% | 0.347 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -56.9 | -48.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E81 E82 R87 L88 E89 | E81-A85 WeakPolarHBondContact O-CB 3.28Å; E81-A85 PolarHBondContact O-N 3.5Å; E82-A85 PolarHBondContact O-N 2.87Å; A85-R87 VanDerWaalsContact C-N 3.28Å; A85-R87 PolarHBondContact O-N 3.41Å; A85-L88 PolarHBondContact O-N 3.46Å; A85-L88 VanDerWaalsContact O-N 3.17Å; A85-E89 WeakPolarHBondContact O-CG 3.26Å; A85-E89 PolarHBondContact O-N 3.34Å |
| 86 | R | 98.2 | Very high | 97.8 | Very high | 93 Ų | 93 | 97.3 Ų | 97.3 | 35% | 0.351 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62 | -31.2 | 176.8 | -73.1 | -175 | -70.2 | -107.3 | 1.8 | 113.3 | E82 E83 V84 R90 | E82-R86 WeakPolarHBondContact O-CB 3.44Å; E82-R86 VanDerWaalsContact O-CG 3.28Å; E82-R86 WeakPolarHBondContact O-CG 3.33Å; E82-R86 PolarHBondContact O-N 2.81Å; E82-R86 IonicContact OE2-CZ 3.57Å; E82-R86 IonicContact OE2-NH1 3.66Å; E82-R86 PolarHBondContact OE2-NH1 3.31Å; E82-R86 VanDerWaalsContact OE2-NH1 3.11Å; E82-R86 IonicContact OE2-NH2 3.65Å; E83-R86 PolarHBondContact O-N 3.29Å; V84-R86 PolarHBondContact O-N 2.91Å; R86-R90 VanDerWaalsContact O-CG 3.29Å; R86-R90 WeakPolarHBondContact O-CG 3.49Å; R86-R90 PolarHBondContact O-N 2.88Å; R86-R90 PolarHBondContact O-NH1 3.01Å; R86-R90 VanDerWaalsContact O-NH1 3.14Å |
| 87 | R | 97.7 | Very high | 97.8 | Very high | 163 Ų | 163 | 94.1 Ų | 94.1 | 62% | 0.615 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -74 | -41.9 | 175.3 | -73.4 | 175.1 | -166.8 | -173.7 | 8.6 | 111.1 | E83 V84 A85 Y91 | E83-R87 VanDerWaalsContact O-CG 3.29Å; E83-R87 WeakPolarHBondContact O-CG 3.39Å; E83-R87 PolarHBondContact O-N 3.4Å; E83-R87 IonicContact OE2-NH2 3.85Å; V84-R87 PolarHBondContact O-N 3.33Å; V84-R87 VanDerWaalsContact O-N 3.12Å; A85-R87 VanDerWaalsContact C-N 3.28Å; A85-R87 PolarHBondContact O-N 3.41Å; R87-Y91 PolarHBondContact O-N 2.7Å |
| 88 | L | 98 | Very high | 97.9 | Very high | 100 Ų | 100 | 96.9 Ų | 96.9 | 52% | 0.524 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 177.1 | -71 | 173.8 | 0 | 0 | 0 | 111.7 | V84 A85 R90 Y91 L92 | V84-L88 HydrophobicContact CG1-CD1 3.97Å; V84-L88 HydrophobicContact CG1-CG 4.36Å; V84-L88 WeakPolarHBondContact O-CG 3.3Å; V84-L88 PolarHBondContact O-N 2.97Å; A85-L88 PolarHBondContact O-N 3.46Å; A85-L88 VanDerWaalsContact O-N 3.17Å; L88-R90 PolarHBondContact O-N 3.46Å; L88-Y91 PolarHBondContact O-N 3.36Å; L88-L92 WeakPolarHBondContact O-CB 3.37Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.43Å; L88-L92 PolarHBondContact O-N 3.12Å |
| 89 | E | 97.8 | Very high | 97.9 | Very high | 115 Ų | 115 | 98.4 Ų | 98.4 | 54% | 0.537 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -55.7 | -52 | 175.5 | -75.1 | 172 | 175.8 | 0 | 0 | 111.2 | A85 Y91 L92 D93 | A85-E89 WeakPolarHBondContact O-CG 3.26Å; A85-E89 PolarHBondContact O-N 3.34Å; E89-Y91 VanDerWaalsContact C-N 3.3Å; E89-Y91 PolarHBondContact O-N 3.35Å; E89-L92 PolarHBondContact O-N 3.45Å; E89-D93 WeakPolarHBondContact O-CB 3.21Å; E89-D93 VanDerWaalsContact O-CG 3.31Å; E89-D93 PolarHBondContact O-N 3.02Å |
| 90 | R | 98.2 | Very high | 98 | Very high | 159 Ų | 159 | 98.8 Ų | 98.8 | 60% | 0.6 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.9 | -39.9 | 178.1 | -70.7 | -178.2 | -164 | 109.7 | -7.9 | 112.9 | R86 L88 S94 | R86-R90 VanDerWaalsContact O-CG 3.29Å; R86-R90 WeakPolarHBondContact O-CG 3.49Å; R86-R90 PolarHBondContact O-N 2.88Å; R86-R90 PolarHBondContact O-NH1 3.01Å; R86-R90 VanDerWaalsContact O-NH1 3.14Å; L88-R90 PolarHBondContact O-N 3.46Å; R90-S94 WeakPolarHBondContact O-CB 3.28Å; R90-S94 PolarHBondContact O-N 2.98Å; R90-S94 PolarHBondContact O-OG 3.39Å |
| 91 | Y | 98 | Very high | 98 | Very high | 144 Ų | 144 | 98 Ų | 98 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.4 | -48.5 | 176.7 | 178.5 | -96.5 | 0 | 0 | 0 | 110.8 | R87 L88 E89 D93 S94 E95 | R87-Y91 PolarHBondContact O-N 2.7Å; L88-Y91 PolarHBondContact O-N 3.36Å; E89-Y91 VanDerWaalsContact C-N 3.3Å; E89-Y91 PolarHBondContact O-N 3.35Å; Y91-D93 PolarHBondContact O-N 2.83Å; Y91-S94 PolarHBondContact O-N 2.91Å; Y91-S94 PolarHBondContact O-OG 3.38Å; Y91-E95 HydrophobicContact CD1-CG 4.31Å; Y91-E95 HydrophobicContact CE1-CG 3.83Å; Y91-E95 HydrophobicContact CE2-CG 4.16Å; Y91-E95 PolarHBondContact O-N 2.87Å |
| 92 | L | 98.3 | Very high | 98.1 | Very high | 111 Ų | 111 | 98.5 Ų | 98.5 | 58% | 0.581 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.1 | -43.7 | 178.6 | -69.9 | 174.3 | 0 | 0 | 0 | 112.2 | L88 E89 S94 E95 L96 | L88-L92 WeakPolarHBondContact O-CB 3.37Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.43Å; L88-L92 PolarHBondContact O-N 3.12Å; E89-L92 PolarHBondContact O-N 3.45Å; L92-S94 VanDerWaalsContact C-N 3.29Å; L92-S94 PolarHBondContact O-N 3.32Å; L92-E95 PolarHBondContact O-N 3.4Å; L92-L96 WeakPolarHBondContact O-CB 3.42Å; L92-L96 PolarHBondContact O-N 3.42Å |
| 93 | D | 98.2 | Very high | 98.1 | Very high | 105 Ų | 105 | 100.9 Ų | 100.9 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.3 | -41.5 | 175.9 | -72.4 | -22.3 | 0 | 0 | 0 | 111.2 | E89 Y91 A97 | E89-D93 WeakPolarHBondContact O-CB 3.21Å; E89-D93 VanDerWaalsContact O-CG 3.31Å; E89-D93 PolarHBondContact O-N 3.02Å; Y91-D93 PolarHBondContact O-N 2.83Å; D93-A97 VanDerWaalsContact O-CB 3.24Å; D93-A97 WeakPolarHBondContact O-CB 3.44Å; D93-A97 PolarHBondContact O-N 3.49Å |
| 94 | S | 98.2 | Very high | 98.1 | Very high | 49 Ų | 49 | 105 Ų | 105 | 34% | 0.343 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.1 | -41.3 | 178.5 | 78.3 | 0 | 0 | 0 | 0 | 112.7 | R90 Y91 L92 K98 | R90-S94 WeakPolarHBondContact O-CB 3.28Å; R90-S94 PolarHBondContact O-N 2.98Å; R90-S94 PolarHBondContact O-OG 3.39Å; Y91-S94 PolarHBondContact O-N 2.91Å; Y91-S94 PolarHBondContact O-OG 3.38Å; L92-S94 VanDerWaalsContact C-N 3.29Å; L92-S94 PolarHBondContact O-N 3.32Å; S94-K98 VanDerWaalsContact O-CG 3.32Å; S94-K98 WeakPolarHBondContact O-CG 3.47Å; S94-K98 PolarHBondContact O-N 2.9Å; S94-K98 VanDerWaalsContact O-N 3.17Å |
| 95 | E | 98 | Very high | 98.1 | Very high | 60 Ų | 60 | 105.3 Ų | 105.3 | 28% | 0.28 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.8 | -41.1 | 177.3 | -72 | -54.9 | 129.7 | 0 | 0 | 111.5 | Y91 L92 A97 K98 L99 | Y91-E95 HydrophobicContact CD1-CG 4.31Å; Y91-E95 HydrophobicContact CE1-CG 3.83Å; Y91-E95 HydrophobicContact CE2-CG 4.16Å; Y91-E95 PolarHBondContact O-N 2.87Å; L92-E95 PolarHBondContact O-N 3.4Å; E95-A97 PolarHBondContact O-N 3.29Å; E95-K98 PolarHBondContact O-N 2.9Å; E95-K98 IonicContact OE1-NZ 2.83Å; E95-K98 PolarHBondContact OE1-NZ 2.88Å; E95-L99 WeakPolarHBondContact O-CG 3.33Å; E95-L99 PolarHBondContact O-N 3.33Å |
| 96 | L | 98.3 | Very high | 98.1 | Very high | 96 Ų | 96 | 108.9 Ų | 108.9 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 174.8 | -178.7 | 62 | 0 | 0 | 0 | 111.1 | L92 K98 L99 L100 | L92-L96 WeakPolarHBondContact O-CB 3.42Å; L92-L96 PolarHBondContact O-N 3.42Å; L96-K98 VanDerWaalsContact C-N 3.34Å; L96-K98 PolarHBondContact O-N 2.98Å; L96-L99 PolarHBondContact O-N 3.46Å; L96-L100 HydrophobicContact CD1-CD1 4.27Å; L96-L100 HydrophobicContact CD1-CG 4.17Å; L96-L100 HydrophobicContact CG-CD1 3.99Å; L96-L100 HydrophobicContact CG-CG 4.33Å; L96-L100 WeakPolarHBondContact O-CB 3.47Å; L96-L100 VanDerWaalsContact O-CG 3.28Å; L96-L100 WeakPolarHBondContact O-CG 3.32Å; L96-L100 PolarHBondContact O-N 2.85Å |
| 97 | A | 98.1 | Very high | 98.1 | Very high | 52 Ų | 52 | 109.5 Ų | 109.5 | 43% | 0.43 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.1 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D93 E95 L100 V101 | D93-A97 VanDerWaalsContact O-CB 3.24Å; D93-A97 WeakPolarHBondContact O-CB 3.44Å; D93-A97 PolarHBondContact O-N 3.49Å; E95-A97 PolarHBondContact O-N 3.29Å; A97-L100 PolarHBondContact O-N 3.42Å; A97-V101 WeakPolarHBondContact O-CG2 3.27Å; A97-V101 PolarHBondContact O-N 3.45Å |
| 98 | K | 98.1 | Very high | 98.2 | Very high | 112 Ų | 112 | 104.5 Ų | 104.5 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.5 | -48 | 175.4 | -69.1 | 169.3 | -166 | 169.1 | 0 | 111.7 | S94 E95 L96 L100 V101 L102 | S94-K98 VanDerWaalsContact O-CG 3.32Å; S94-K98 WeakPolarHBondContact O-CG 3.47Å; S94-K98 PolarHBondContact O-N 2.9Å; S94-K98 VanDerWaalsContact O-N 3.17Å; E95-K98 PolarHBondContact O-N 2.9Å; E95-K98 IonicContact OE1-NZ 2.83Å; E95-K98 PolarHBondContact OE1-NZ 2.88Å; L96-K98 VanDerWaalsContact C-N 3.34Å; L96-K98 PolarHBondContact O-N 2.98Å; K98-L100 VanDerWaalsContact C-N 3.35Å; K98-L100 PolarHBondContact O-N 2.9Å; K98-V101 PolarHBondContact O-N 3.34Å; K98-L102 WeakPolarHBondContact O-CG 3.37Å; K98-L102 PolarHBondContact O-N 2.86Å |
| 99 | L | 98.3 | Very high | 98.2 | Very high | 108 Ų | 108 | 101.3 Ų | 101.3 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.4 | -39.8 | 179.7 | -71.4 | 175.2 | 0 | 0 | 0 | 112.2 | E95 L96 L102 R103 | E95-L99 WeakPolarHBondContact O-CG 3.33Å; E95-L99 PolarHBondContact O-N 3.33Å; L96-L99 PolarHBondContact O-N 3.46Å; L99-L102 PolarHBondContact O-N 2.93Å; L99-R103 VanDerWaalsContact O-CB 3.27Å; L99-R103 WeakPolarHBondContact O-CB 3.28Å; L99-R103 PolarHBondContact O-N 2.92Å |
| 100 | L | 98.4 | Very high | 98.2 | Very high | 105 Ų | 105 | 99.5 Ų | 99.5 | 55% | 0.55 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 176.3 | -73.1 | 175 | 0 | 0 | 0 | 112 | L96 A97 K98 R103 R104 | L96-L100 HydrophobicContact CD1-CD1 4.27Å; L96-L100 HydrophobicContact CD1-CG 4.17Å; L96-L100 HydrophobicContact CG-CD1 3.99Å; L96-L100 HydrophobicContact CG-CG 4.33Å; L96-L100 WeakPolarHBondContact O-CB 3.47Å; L96-L100 VanDerWaalsContact O-CG 3.28Å; L96-L100 WeakPolarHBondContact O-CG 3.32Å; L96-L100 PolarHBondContact O-N 2.85Å; A97-L100 PolarHBondContact O-N 3.42Å; K98-L100 VanDerWaalsContact C-N 3.35Å; K98-L100 PolarHBondContact O-N 2.9Å; L100-R103 PolarHBondContact O-N 3.37Å; L100-R104 VanDerWaalsContact O-CB 3.25Å; L100-R104 WeakPolarHBondContact O-CB 3.41Å; L100-R104 PolarHBondContact O-N 3.44Å |
| 101 | V | 98.3 | Very high | 98.2 | Very high | 92 Ų | 92 | 95.2 Ų | 95.2 | 56% | 0.558 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.8 | -48.2 | 174.6 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | A97 K98 R103 R104 V105 | A97-V101 WeakPolarHBondContact O-CG2 3.27Å; A97-V101 PolarHBondContact O-N 3.45Å; K98-V101 PolarHBondContact O-N 3.34Å; V101-R103 PolarHBondContact O-N 3.23Å; V101-R104 PolarHBondContact O-N 3.28Å; V101-V105 WeakPolarHBondContact O-CG2 3.25Å; V101-V105 PolarHBondContact O-N 3.36Å |
| 102 | L | 98.2 | Very high | 98.2 | Very high | 107 Ų | 107 | 94 Ų | 94 | 56% | 0.56 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.4 | -45.3 | 177.5 | -70.7 | 173.9 | 0 | 0 | 0 | 111.7 | K98 L99 R104 V105 Q106 | K98-L102 WeakPolarHBondContact O-CG 3.37Å; K98-L102 PolarHBondContact O-N 2.86Å; L99-L102 PolarHBondContact O-N 2.93Å; L102-R104 VanDerWaalsContact C-N 3.35Å; L102-R104 PolarHBondContact O-N 3.38Å; L102-V105 PolarHBondContact O-N 2.9Å; L102-Q106 WeakPolarHBondContact O-CG 3.44Å; L102-Q106 PolarHBondContact O-N 2.86Å |
| 103 | R | 97.9 | Very high | 98.2 | Very high | 146 Ų | 146 | 97.6 Ų | 97.6 | 55% | 0.551 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.6 | -40.6 | 178 | -176.1 | 59.1 | 176.6 | 168.7 | 2.9 | 111.7 | L99 L100 V101 Q106 F107 | L99-R103 VanDerWaalsContact O-CB 3.27Å; L99-R103 WeakPolarHBondContact O-CB 3.28Å; L99-R103 PolarHBondContact O-N 2.92Å; L100-R103 PolarHBondContact O-N 3.37Å; V101-R103 PolarHBondContact O-N 3.23Å; R103-Q106 PolarHBondContact O-N 2.83Å; R103-F107 VanDerWaalsContact O-CB 3.22Å; R103-F107 WeakPolarHBondContact O-CB 3.45Å; R103-F107 PolarHBondContact O-N 3.38Å |
| 104 | R | 98.3 | Very high | 98.2 | Very high | 166 Ų | 166 | 99.9 Ų | 99.9 | 63% | 0.626 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.9 | -44.1 | 175.6 | 178.1 | 176.2 | 177 | -91 | -0.5 | 111.6 | L100 V101 L102 F107 N108 | L100-R104 VanDerWaalsContact O-CB 3.25Å; L100-R104 WeakPolarHBondContact O-CB 3.41Å; L100-R104 PolarHBondContact O-N 3.44Å; V101-R104 PolarHBondContact O-N 3.28Å; L102-R104 VanDerWaalsContact C-N 3.35Å; L102-R104 PolarHBondContact O-N 3.38Å; R104-F107 PolarHBondContact O-N 2.92Å; R104-N108 WeakPolarHBondContact O-CB 3.27Å; R104-N108 PolarHBondContact O-N 2.94Å; R104-N108 PolarHBondContact O-OD1 3.45Å |
| 105 | V | 98.1 | Very high | 98.2 | Very high | 87 Ų | 87 | 99.8 Ų | 99.8 | 53% | 0.527 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.2 | -46.3 | 177.5 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | V101 L102 F107 N108 A109 | V101-V105 WeakPolarHBondContact O-CG2 3.25Å; V101-V105 PolarHBondContact O-N 3.36Å; L102-V105 PolarHBondContact O-N 2.9Å; V105-F107 PolarHBondContact O-N 3.05Å; V105-N108 PolarHBondContact O-N 3.31Å; V105-A109 WeakPolarHBondContact O-CB 3.39Å; V105-A109 PolarHBondContact O-N 2.84Å |
| 106 | Q | 98.3 | Very high | 98.2 | Very high | 116 Ų | 116 | 102.3 Ų | 102.3 | 54% | 0.542 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 176.4 | -72 | 175.6 | -15.7 | 0 | 0 | 112.2 | L102 R103 A109 E110 | L102-Q106 WeakPolarHBondContact O-CG 3.44Å; L102-Q106 PolarHBondContact O-N 2.86Å; R103-Q106 PolarHBondContact O-N 2.83Å; Q106-A109 PolarHBondContact O-N 3.5Å; Q106-E110 PolarHBondContact O-N 3.29Å |
| 107 | F | 98.2 | Very high | 98.2 | Very high | 107 Ų | 107 | 99.8 Ų | 99.8 | 47% | 0.469 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 179.6 | -175 | -107.6 | 0 | 0 | 0 | 111.8 | R103 R104 V105 E110 I111 | R103-F107 VanDerWaalsContact O-CB 3.22Å; R103-F107 WeakPolarHBondContact O-CB 3.45Å; R103-F107 PolarHBondContact O-N 3.38Å; R104-F107 PolarHBondContact O-N 2.92Å; V105-F107 PolarHBondContact O-N 3.05Å; F107-E110 PolarHBondContact O-N 3.4Å; F107-I111 HydrophobicContact CD1-CD1 3.56Å; F107-I111 HydrophobicContact CD1-CG1 4.48Å; F107-I111 HydrophobicContact CE1-CD1 3.24Å; F107-I111 HydrophobicContact CE1-CG1 4.27Å; F107-I111 HydrophobicContact CG-CD1 4.34Å; F107-I111 HydrophobicContact CZ-CD1 3.77Å; F107-I111 HydrophobicContact CZ-CG1 4.41Å; F107-I111 WeakPolarHBondContact O-CG1 3.37Å; F107-I111 PolarHBondContact O-N 2.88Å |
| 108 | N | 98.2 | Very high | 98.2 | Very high | 57 Ų | 57 | 103.4 Ų | 103.4 | 31% | 0.305 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 175.5 | -72.1 | -4.3 | 0 | 0 | 0 | 111.7 | R104 V105 E110 I111 E112 | R104-N108 WeakPolarHBondContact O-CB 3.27Å; R104-N108 PolarHBondContact O-N 2.94Å; R104-N108 PolarHBondContact O-OD1 3.45Å; V105-N108 PolarHBondContact O-N 3.31Å; N108-E110 VanDerWaalsContact C-N 3.28Å; N108-E110 PolarHBondContact O-N 2.88Å; N108-I111 PolarHBondContact O-N 3.44Å; N108-E112 WeakPolarHBondContact O-CG 3.48Å; N108-E112 PolarHBondContact O-N 2.87Å |
| 109 | A | 98.2 | Very high | 98.2 | Very high | 33 Ų | 33 | 105.8 Ų | 105.8 | 27% | 0.273 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -35.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V105 Q106 R113 | V105-A109 WeakPolarHBondContact O-CB 3.39Å; V105-A109 PolarHBondContact O-N 2.84Å; Q106-A109 PolarHBondContact O-N 3.5Å; A109-R113 VanDerWaalsContact O-CG 3.27Å; A109-R113 WeakPolarHBondContact O-CG 3.32Å; A109-R113 PolarHBondContact O-N 3.01Å; A109-R113 VanDerWaalsContact O-N 3.07Å |
| 110 | E | 98.3 | Very high | 98.1 | Very high | 77 Ų | 77 | 104.9 Ų | 104.9 | 36% | 0.36 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.7 | -40.6 | 174.3 | -170.7 | 176.7 | 173.2 | 0 | 0 | 112 | Q106 F107 N108 R113 R114 | Q106-E110 PolarHBondContact O-N 3.29Å; F107-E110 PolarHBondContact O-N 3.4Å; N108-E110 VanDerWaalsContact C-N 3.28Å; N108-E110 PolarHBondContact O-N 2.88Å; E110-R113 PolarHBondContact O-N 3.2Å; E110-R114 WeakPolarHBondContact O-CG 3.44Å; E110-R114 PolarHBondContact O-N 2.92Å; E110-R114 IonicContact OE1-CZ 3.91Å; E110-R114 VanDerWaalsContact OE1-CZ 3.27Å; E110-R114 IonicContact OE1-NE 2.96Å; E110-R114 IonicContact OE1-NH1 3.56Å; E110-R114 IonicContact OE1-NH2 3.44Å; E110-R114 PolarHBondContact OE1-NH2 2.96Å |
| 111 | I | 98.5 | Very high | 98.1 | Very high | 70 Ų | 70 | 104.5 Ų | 104.5 | 36% | 0.359 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 173.3 | -69.9 | 166 | 0 | 0 | 0 | 110.4 | F107 N108 R113 R114 V115 | F107-I111 HydrophobicContact CD1-CD1 3.56Å; F107-I111 HydrophobicContact CD1-CG1 4.48Å; F107-I111 HydrophobicContact CE1-CD1 3.24Å; F107-I111 HydrophobicContact CE1-CG1 4.27Å; F107-I111 HydrophobicContact CG-CD1 4.34Å; F107-I111 HydrophobicContact CZ-CD1 3.77Å; F107-I111 HydrophobicContact CZ-CG1 4.41Å; F107-I111 WeakPolarHBondContact O-CG1 3.37Å; F107-I111 PolarHBondContact O-N 2.88Å; N108-I111 PolarHBondContact O-N 3.44Å; I111-R113 VanDerWaalsContact C-N 3.34Å; I111-R113 PolarHBondContact O-N 2.91Å; I111-R114 PolarHBondContact O-N 2.86Å; I111-R114 VanDerWaalsContact O-N 3.14Å; I111-V115 HydrophobicContact CG2-CG2 4.06Å; I111-V115 WeakPolarHBondContact O-CB 3.36Å; I111-V115 VanDerWaalsContact O-CG2 3.3Å; I111-V115 WeakPolarHBondContact O-CG2 3.28Å; I111-V115 PolarHBondContact O-N 3.4Å |
| 112 | E | 98.2 | Very high | 98.1 | Very high | 117 Ų | 117 | 102.6 Ų | 102.6 | 55% | 0.547 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.7 | -46.5 | 179.6 | -75.1 | 170.2 | -179.5 | 0 | 0 | 111 | N108 R114 V115 E116 | N108-E112 WeakPolarHBondContact O-CG 3.48Å; N108-E112 PolarHBondContact O-N 2.87Å; E112-R114 PolarHBondContact O-N 3.21Å; E112-V115 PolarHBondContact O-N 2.99Å; E112-E116 WeakPolarHBondContact O-CB 3.47Å; E112-E116 VanDerWaalsContact O-CG 3.29Å; E112-E116 WeakPolarHBondContact O-CG 3.19Å; E112-E116 PolarHBondContact O-N 3.44Å |
| 113 | R | 98.3 | Very high | 98.1 | Very high | 187 Ų | 187 | 102.9 Ų | 102.9 | 71% | 0.706 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.7 | -42 | 175.1 | -72.6 | 174.1 | -173 | -176.2 | 2.2 | 113 | A109 E110 I111 A117 | A109-R113 VanDerWaalsContact O-CG 3.27Å; A109-R113 WeakPolarHBondContact O-CG 3.32Å; A109-R113 PolarHBondContact O-N 3.01Å; A109-R113 VanDerWaalsContact O-N 3.07Å; E110-R113 PolarHBondContact O-N 3.2Å; I111-R113 VanDerWaalsContact C-N 3.34Å; I111-R113 PolarHBondContact O-N 2.91Å; R113-A117 WeakPolarHBondContact O-CB 3.43Å; R113-A117 PolarHBondContact O-N 3.44Å |
| 114 | R | 97.8 | Very high | 98.1 | Very high | 153 Ų | 153 | 104.2 Ų | 104.2 | 58% | 0.577 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66 | -43.7 | 177.6 | -74.6 | 177.9 | 178.3 | 164.9 | 5.2 | 111.5 | E110 I111 E112 A117 E118 | E110-R114 WeakPolarHBondContact O-CG 3.44Å; E110-R114 PolarHBondContact O-N 2.92Å; E110-R114 IonicContact OE1-CZ 3.91Å; E110-R114 VanDerWaalsContact OE1-CZ 3.27Å; E110-R114 IonicContact OE1-NE 2.96Å; E110-R114 IonicContact OE1-NH1 3.56Å; E110-R114 IonicContact OE1-NH2 3.44Å; E110-R114 PolarHBondContact OE1-NH2 2.96Å; I111-R114 PolarHBondContact O-N 2.86Å; I111-R114 VanDerWaalsContact O-N 3.14Å; E112-R114 PolarHBondContact O-N 3.21Å; R114-A117 PolarHBondContact O-N 3.02Å; R114-E118 WeakPolarHBondContact O-CB 3.38Å; R114-E118 PolarHBondContact O-N 2.92Å |
| 115 | V | 98.3 | Very high | 98 | Very high | 48 Ų | 48 | 103.3 Ų | 103.3 | 29% | 0.291 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 177.9 | 169.7 | 0 | 0 | 0 | 0 | 111 | I111 E112 R119 | I111-V115 HydrophobicContact CG2-CG2 4.06Å; I111-V115 WeakPolarHBondContact O-CB 3.36Å; I111-V115 VanDerWaalsContact O-CG2 3.3Å; I111-V115 WeakPolarHBondContact O-CG2 3.28Å; I111-V115 PolarHBondContact O-N 3.4Å; E112-V115 PolarHBondContact O-N 2.99Å; V115-R119 HydrophobicContact CG1-CG 4.38Å; V115-R119 VanDerWaalsContact CG1-CZ 3.48Å; V115-R119 VanDerWaalsContact O-CB 3.3Å; V115-R119 WeakPolarHBondContact O-CB 3.39Å; V115-R119 WeakPolarHBondContact O-CG 3.34Å; V115-R119 PolarHBondContact O-N 3.24Å |
| 116 | E | 98 | Very high | 98 | Very high | 113 Ų | 113 | 106.9 Ų | 106.9 | 53% | 0.528 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.5 | -48.5 | 174.4 | -75.5 | 173.5 | 179 | 0 | 0 | 111.4 | E112 E118 R119 T120 | E112-E116 WeakPolarHBondContact O-CB 3.47Å; E112-E116 VanDerWaalsContact O-CG 3.29Å; E112-E116 WeakPolarHBondContact O-CG 3.19Å; E112-E116 PolarHBondContact O-N 3.44Å; E116-E118 PolarHBondContact O-N 2.89Å; E116-R119 PolarHBondContact O-N 3.03Å; E116-T120 VanDerWaalsContact O-CG2 3.25Å; E116-T120 WeakPolarHBondContact O-CG2 3.25Å; E116-T120 PolarHBondContact O-N 3.39Å; E116-T120 PolarHBondContact O-OG1 2.89Å |
| 117 | A | 97.7 | Very high | 97.9 | Very high | 43 Ų | 43 | 103.8 Ų | 103.8 | 36% | 0.355 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -55.8 | -50.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | R113 R114 R119 T120 E121 | R113-A117 WeakPolarHBondContact O-CB 3.43Å; R113-A117 PolarHBondContact O-N 3.44Å; R114-A117 PolarHBondContact O-N 3.02Å; A117-R119 PolarHBondContact O-N 3.46Å; A117-T120 PolarHBondContact O-N 3.4Å; A117-T120 PolarHBondContact O-OG1 3.36Å; A117-E121 WeakPolarHBondContact O-CG 3.43Å; A117-E121 PolarHBondContact O-N 2.83Å |
| 118 | E | 98 | Very high | 97.9 | Very high | 127 Ų | 127 | 102 Ų | 102 | 59% | 0.593 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.7 | -42.2 | 177.8 | -172.1 | 179 | -177.4 | 0 | 0 | 112.3 | R114 E116 T120 E121 V122 | R114-E118 WeakPolarHBondContact O-CB 3.38Å; R114-E118 PolarHBondContact O-N 2.92Å; E116-E118 PolarHBondContact O-N 2.89Å; E118-T120 PolarHBondContact O-N 3.36Å; E118-E121 PolarHBondContact O-N 2.91Å; E118-V122 WeakPolarHBondContact O-CG2 3.48Å; E118-V122 PolarHBondContact O-N 2.91Å |
| 119 | R | 97.9 | Very high | 97.9 | Very high | 163 Ų | 163 | 104.4 Ų | 104.4 | 62% | 0.615 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.8 | -43.8 | 174.6 | -77 | 170.2 | -179.4 | 175.7 | 2.9 | 111.5 | V115 E116 A117 E121 V122 L123 | V115-R119 HydrophobicContact CG1-CG 4.38Å; V115-R119 VanDerWaalsContact CG1-CZ 3.48Å; V115-R119 VanDerWaalsContact O-CB 3.3Å; V115-R119 WeakPolarHBondContact O-CB 3.39Å; V115-R119 WeakPolarHBondContact O-CG 3.34Å; V115-R119 PolarHBondContact O-N 3.24Å; E116-R119 PolarHBondContact O-N 3.03Å; A117-R119 PolarHBondContact O-N 3.46Å; R119-E121 VanDerWaalsContact C-N 3.33Å; R119-E121 PolarHBondContact O-N 3.36Å; R119-V122 PolarHBondContact O-N 3.21Å; R119-L123 WeakPolarHBondContact O-CB 3.48Å; R119-L123 VanDerWaalsContact O-CG 3.29Å; R119-L123 WeakPolarHBondContact O-CG 3.34Å; R119-L123 PolarHBondContact O-N 3.42Å |
| 120 | T | 98 | Very high | 97.8 | Very high | 88 Ų | 88 | 105.5 Ų | 105.5 | 54% | 0.54 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 178 | 65.5 | 0 | 0 | 0 | 0 | 111.9 | E116 A117 E118 L123 R124 | E116-T120 VanDerWaalsContact O-CG2 3.25Å; E116-T120 WeakPolarHBondContact O-CG2 3.25Å; E116-T120 PolarHBondContact O-N 3.39Å; E116-T120 PolarHBondContact O-OG1 2.89Å; A117-T120 PolarHBondContact O-N 3.4Å; A117-T120 PolarHBondContact O-OG1 3.36Å; E118-T120 PolarHBondContact O-N 3.36Å; T120-L123 PolarHBondContact O-N 2.91Å; T120-R124 VanDerWaalsContact O-CB 3.27Å; T120-R124 WeakPolarHBondContact O-CB 3.43Å; T120-R124 PolarHBondContact O-N 2.85Å |
| 121 | E | 98 | Very high | 97.8 | Very high | 98 Ų | 98 | 107.2 Ų | 107.2 | 46% | 0.458 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 175.1 | -72.3 | 180 | -163.1 | 0 | 0 | 111.9 | A117 E118 R119 R124 R125 | A117-E121 WeakPolarHBondContact O-CG 3.43Å; A117-E121 PolarHBondContact O-N 2.83Å; E118-E121 PolarHBondContact O-N 2.91Å; R119-E121 VanDerWaalsContact C-N 3.33Å; R119-E121 PolarHBondContact O-N 3.36Å; E121-R124 PolarHBondContact O-N 2.97Å; E121-R125 WeakPolarHBondContact O-CG 3.41Å; E121-R125 PolarHBondContact O-N 3.5Å; E121-R125 IonicContact OE2-NH2 3.87Å |
| 122 | V | 97.9 | Very high | 97.7 | Very high | 52 Ų | 52 | 111.4 Ų | 111.4 | 32% | 0.315 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 177.4 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | E118 R119 R125 R126 | E118-V122 WeakPolarHBondContact O-CG2 3.48Å; E118-V122 PolarHBondContact O-N 2.91Å; R119-V122 PolarHBondContact O-N 3.21Å; V122-R125 PolarHBondContact O-N 2.72Å; V122-R126 WeakPolarHBondContact O-CB 3.42Å; V122-R126 VanDerWaalsContact O-CG 3.32Å; V122-R126 WeakPolarHBondContact O-CG 3.15Å; V122-R126 PolarHBondContact O-N 3.47Å |
| 123 | L | 97.2 | Very high | 97.6 | Very high | 113 Ų | 113 | 111.5 Ų | 111.5 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.9 | -41.8 | 176.7 | -72.4 | 175.5 | 0 | 0 | 0 | 111.7 | R119 T120 R126 A127 | R119-L123 WeakPolarHBondContact O-CB 3.48Å; R119-L123 VanDerWaalsContact O-CG 3.29Å; R119-L123 WeakPolarHBondContact O-CG 3.34Å; R119-L123 PolarHBondContact O-N 3.42Å; T120-L123 PolarHBondContact O-N 2.91Å; L123-R126 PolarHBondContact O-N 3.49Å; L123-A127 WeakPolarHBondContact O-CB 3.39Å; L123-A127 PolarHBondContact O-N 3.47Å |
| 124 | R | 98.1 | Very high | 97.6 | Very high | 173 Ų | 173 | 105.2 Ų | 105.2 | 65% | 0.653 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.5 | -48.4 | 176 | -178.5 | 178.9 | 174.3 | 157.4 | 3.4 | 111.9 | T120 E121 R126 A127 E128 | T120-R124 VanDerWaalsContact O-CB 3.27Å; T120-R124 WeakPolarHBondContact O-CB 3.43Å; T120-R124 PolarHBondContact O-N 2.85Å; E121-R124 PolarHBondContact O-N 2.97Å; R124-R126 VanDerWaalsContact C-N 3.31Å; R124-R126 PolarHBondContact O-N 3.3Å; R124-A127 PolarHBondContact O-N 3.42Å; R124-E128 HydrophobicContact CG-CG 4.44Å; R124-E128 WeakPolarHBondContact CG-OE1 3.4Å; R124-E128 IonicContact CZ-OE1 3.62Å; R124-E128 IonicContact NE-OE1 2.72Å; R124-E128 PolarHBondContact NE-OE1 2.95Å; R124-E128 IonicContact NH2-OE1 3.32Å; R124-E128 WeakPolarHBondContact O-CG 3.32Å; R124-E128 PolarHBondContact O-N 2.82Å |
| 125 | R | 97.5 | Very high | 97.5 | Very high | 147 Ų | 147 | 103.8 Ų | 103.8 | 56% | 0.555 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.2 | -42.6 | 176.8 | -72.3 | 178.3 | -170.2 | 158.9 | 11.3 | 111.7 | E121 V122 E128 E129 | E121-R125 WeakPolarHBondContact O-CG 3.41Å; E121-R125 PolarHBondContact O-N 3.5Å; E121-R125 IonicContact OE2-NH2 3.87Å; V122-R125 PolarHBondContact O-N 2.72Å; R125-E128 PolarHBondContact O-N 2.88Å; R125-E129 WeakPolarHBondContact O-CB 3.48Å; R125-E129 WeakPolarHBondContact O-CG 3.27Å; R125-E129 PolarHBondContact O-N 3.39Å |
| 126 | R | 96.8 | Very high | 97.5 | Very high | 162 Ų | 162 | 107.5 Ų | 107.5 | 61% | 0.611 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.8 | -40.8 | 176.1 | -74.1 | 176.7 | 179.5 | -179.5 | 1.2 | 112.7 | V122 L123 R124 A130 | V122-R126 WeakPolarHBondContact O-CB 3.42Å; V122-R126 VanDerWaalsContact O-CG 3.32Å; V122-R126 WeakPolarHBondContact O-CG 3.15Å; V122-R126 PolarHBondContact O-N 3.47Å; L123-R126 PolarHBondContact O-N 3.49Å; R124-R126 VanDerWaalsContact C-N 3.31Å; R124-R126 PolarHBondContact O-N 3.3Å; R126-A130 VanDerWaalsContact O-CB 3.3Å; R126-A130 WeakPolarHBondContact O-CB 3.31Å; R126-A130 PolarHBondContact O-N 3.18Å |
| 127 | A | 97.4 | Very high | 97.4 | Very high | 51 Ų | 51 | 108.3 Ų | 108.3 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L123 R124 E129 A130 E131 | L123-A127 WeakPolarHBondContact O-CB 3.39Å; L123-A127 PolarHBondContact O-N 3.47Å; R124-A127 PolarHBondContact O-N 3.42Å; A127-E129 PolarHBondContact O-N 3.41Å; A127-A130 PolarHBondContact O-N 3.49Å; A127-E131 WeakPolarHBondContact O-CB 3.45Å; A127-E131 WeakPolarHBondContact O-CG 3.31Å; A127-E131 PolarHBondContact O-N 3.27Å |
| 128 | E | 97.8 | Very high | 97.4 | Very high | 70 Ų | 70 | 108.4 Ų | 108.4 | 33% | 0.327 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.7 | -41 | 176.5 | -71.1 | 173.7 | -173.6 | 0 | 0 | 112 | R124 R125 R132 | R124-E128 HydrophobicContact CG-CG 4.44Å; R124-E128 WeakPolarHBondContact CG-OE1 3.4Å; R124-E128 IonicContact CZ-OE1 3.62Å; R124-E128 IonicContact NE-OE1 2.72Å; R124-E128 PolarHBondContact NE-OE1 2.95Å; R124-E128 IonicContact NH2-OE1 3.32Å; R124-E128 WeakPolarHBondContact O-CG 3.32Å; R124-E128 PolarHBondContact O-N 2.82Å; R125-E128 PolarHBondContact O-N 2.88Å; E128-R132 WeakPolarHBondContact O-CB 3.35Å; E128-R132 VanDerWaalsContact O-CG 3.26Å; E128-R132 WeakPolarHBondContact O-CG 3.26Å; E128-R132 PolarHBondContact O-N 2.93Å |
| 129 | E | 97.5 | Very high | 97.3 | Very high | 107 Ų | 107 | 106.9 Ų | 106.9 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 174.4 | -75.8 | 175.5 | -168 | 0 | 0 | 112.7 | R125 A127 R132 K133 | R125-E129 WeakPolarHBondContact O-CB 3.48Å; R125-E129 WeakPolarHBondContact O-CG 3.27Å; R125-E129 PolarHBondContact O-N 3.39Å; A127-E129 PolarHBondContact O-N 3.41Å; E129-R132 PolarHBondContact O-N 3.39Å; E129-K133 WeakPolarHBondContact O-CG 3.48Å; E129-K133 PolarHBondContact O-N 2.84Å |
| 130 | A | 97.2 | Very high | 97.3 | Very high | 57 Ų | 57 | 100.9 Ų | 100.9 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | R126 A127 R132 K133 A134 | R126-A130 VanDerWaalsContact O-CB 3.3Å; R126-A130 WeakPolarHBondContact O-CB 3.31Å; R126-A130 PolarHBondContact O-N 3.18Å; A127-A130 PolarHBondContact O-N 3.49Å; A130-R132 VanDerWaalsContact C-N 3.35Å; A130-K133 PolarHBondContact O-N 3.07Å; A130-A134 WeakPolarHBondContact O-CB 3.28Å; A130-A134 PolarHBondContact O-N 3.06Å |
| 131 | E | 97.2 | Very high | 97.2 | Very high | 113 Ų | 113 | 101.3 Ų | 101.3 | 53% | 0.528 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 175.1 | -76.1 | -175.6 | -172.1 | 0 | 0 | 112.3 | A127 K135 | A127-E131 WeakPolarHBondContact O-CB 3.45Å; A127-E131 WeakPolarHBondContact O-CG 3.31Å; A127-E131 PolarHBondContact O-N 3.27Å; E131-K135 WeakPolarHBondContact O-CB 3.46Å; E131-K135 VanDerWaalsContact O-CG 3.25Å; E131-K135 WeakPolarHBondContact O-CG 3.24Å; E131-K135 PolarHBondContact O-N 2.98Å |
| 132 | R | 97.2 | Very high | 97.2 | Very high | 158 Ų | 158 | 102.1 Ų | 102.1 | 60% | 0.596 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.2 | -48.8 | 174.9 | -75.7 | 175 | -173.3 | -176.6 | 4.4 | 111.4 | E128 E129 A130 A134 K135 E136 | E128-R132 WeakPolarHBondContact O-CB 3.35Å; E128-R132 VanDerWaalsContact O-CG 3.26Å; E128-R132 WeakPolarHBondContact O-CG 3.26Å; E128-R132 PolarHBondContact O-N 2.93Å; E129-R132 PolarHBondContact O-N 3.39Å; A130-R132 VanDerWaalsContact C-N 3.35Å; R132-A134 VanDerWaalsContact C-N 3.34Å; R132-A134 PolarHBondContact O-N 3.3Å; R132-K135 PolarHBondContact O-N 2.95Å; R132-E136 WeakPolarHBondContact O-CB 3.37Å; R132-E136 WeakPolarHBondContact O-CG 3.34Å; R132-E136 PolarHBondContact O-N 3.37Å |
| 133 | K | 96.7 | Very high | 97.1 | Very high | 118 Ų | 118 | 106.6 Ų | 106.6 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60 | -44.3 | 176.8 | -72.6 | 173.6 | -178.9 | 176 | 0 | 111.8 | E129 A130 K135 E136 E137 | E129-K133 WeakPolarHBondContact O-CG 3.48Å; E129-K133 PolarHBondContact O-N 2.84Å; A130-K133 PolarHBondContact O-N 3.07Å; K133-K135 VanDerWaalsContact C-N 3.32Å; K133-K135 PolarHBondContact O-N 2.85Å; K133-E136 PolarHBondContact O-N 3.14Å; K133-E137 WeakPolarHBondContact O-CB 3.29Å; K133-E137 VanDerWaalsContact O-CG 3.29Å; K133-E137 WeakPolarHBondContact O-CG 3.21Å; K133-E137 PolarHBondContact O-N 3.4Å |
| 134 | A | 96.7 | Very high | 97.1 | Very high | 56 Ų | 56 | 108.8 Ų | 108.8 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A130 R132 A138 | A130-A134 WeakPolarHBondContact O-CB 3.28Å; A130-A134 PolarHBondContact O-N 3.06Å; R132-A134 VanDerWaalsContact C-N 3.34Å; R132-A134 PolarHBondContact O-N 3.3Å; A134-A138 VanDerWaalsContact O-CB 3.24Å; A134-A138 WeakPolarHBondContact O-CB 3.3Å; A134-A138 PolarHBondContact O-N 3.42Å |
| 135 | K | 97.1 | Very high | 97 | Very high | 123 Ų | 123 | 105.4 Ų | 105.4 | 54% | 0.535 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.3 | -45 | 174.9 | -73.6 | 169.3 | -175.9 | 169.8 | 0 | 111.8 | E131 R132 K133 E137 A138 E139 | E131-K135 WeakPolarHBondContact O-CB 3.46Å; E131-K135 VanDerWaalsContact O-CG 3.25Å; E131-K135 WeakPolarHBondContact O-CG 3.24Å; E131-K135 PolarHBondContact O-N 2.98Å; R132-K135 PolarHBondContact O-N 2.95Å; K133-K135 VanDerWaalsContact C-N 3.32Å; K133-K135 PolarHBondContact O-N 2.85Å; K135-E137 PolarHBondContact O-N 2.9Å; K135-A138 PolarHBondContact O-N 3.17Å; K135-E139 WeakPolarHBondContact O-CB 3.41Å; K135-E139 WeakPolarHBondContact O-CG 3.45Å; K135-E139 PolarHBondContact O-N 3.37Å |
| 136 | E | 97.3 | Very high | 97 | Very high | 126 Ų | 126 | 103 Ų | 103 | 59% | 0.589 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.2 | -42.4 | 177.3 | -73.2 | 170.3 | -171.1 | 0 | 0 | 111.7 | R132 K133 A140 | R132-E136 WeakPolarHBondContact O-CB 3.37Å; R132-E136 WeakPolarHBondContact O-CG 3.34Å; R132-E136 PolarHBondContact O-N 3.37Å; K133-E136 PolarHBondContact O-N 3.14Å; E136-A140 WeakPolarHBondContact O-CB 3.3Å; E136-A140 PolarHBondContact O-N 3.29Å |
| 137 | E | 96.8 | Very high | 97 | Very high | 130 Ų | 130 | 101.3 Ų | 101.3 | 61% | 0.607 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.1 | -43.9 | 175.1 | -73.9 | 173.9 | -172.8 | 0 | 0 | 111.4 | K133 K135 A140 L141 | K133-E137 WeakPolarHBondContact O-CB 3.29Å; K133-E137 VanDerWaalsContact O-CG 3.29Å; K133-E137 WeakPolarHBondContact O-CG 3.21Å; K133-E137 PolarHBondContact O-N 3.4Å; K135-E137 PolarHBondContact O-N 2.9Å; E137-A140 PolarHBondContact O-N 3.48Å; E137-L141 WeakPolarHBondContact O-CB 3.36Å; E137-L141 VanDerWaalsContact O-CG 3.28Å; E137-L141 WeakPolarHBondContact O-CG 3.33Å; E137-L141 PolarHBondContact O-N 3.42Å |
| 138 | A | 96.8 | Very high | 97 | Very high | 45 Ų | 45 | 104 Ų | 104 | 37% | 0.372 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A134 K135 L141 Q142 | A134-A138 VanDerWaalsContact O-CB 3.24Å; A134-A138 WeakPolarHBondContact O-CB 3.3Å; A134-A138 PolarHBondContact O-N 3.42Å; K135-A138 PolarHBondContact O-N 3.17Å; A138-L141 PolarHBondContact O-N 2.95Å; A138-Q142 VanDerWaalsContact O-CG 3.31Å; A138-Q142 WeakPolarHBondContact O-CG 3.49Å; A138-Q142 PolarHBondContact O-N 2.84Å |
| 139 | E | 97 | Very high | 96.9 | Very high | 94 Ų | 94 | 106 Ų | 106 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 175.5 | -75.5 | -176.4 | -163.7 | 0 | 0 | 111.9 | K135 Q142 R143 | K135-E139 WeakPolarHBondContact O-CB 3.41Å; K135-E139 WeakPolarHBondContact O-CG 3.45Å; K135-E139 PolarHBondContact O-N 3.37Å; E139-Q142 PolarHBondContact O-N 3.47Å; E139-R143 VanDerWaalsContact O-CG 3.3Å; E139-R143 WeakPolarHBondContact O-CG 3.25Å; E139-R143 PolarHBondContact O-N 2.98Å; E139-R143 IonicContact OE2-NH2 3.99Å; E139-R143 PolarHBondContact OE2-NH2 3.4Å |
| 140 | A | 96.7 | Very high | 96.9 | Very high | 38 Ų | 38 | 108.6 Ų | 108.6 | 31% | 0.314 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E136 E137 R144 | E136-A140 WeakPolarHBondContact O-CB 3.3Å; E136-A140 PolarHBondContact O-N 3.29Å; E137-A140 PolarHBondContact O-N 3.48Å; A140-R144 VanDerWaalsContact O-CG 3.27Å; A140-R144 WeakPolarHBondContact O-CG 3.34Å; A140-R144 PolarHBondContact O-N 2.97Å |
| 141 | L | 96.5 | Very high | 96.9 | Very high | 97 Ų | 97 | 111.9 Ų | 111.9 | 51% | 0.508 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 173.3 | -72.3 | 174.6 | 0 | 0 | 0 | 111.3 | E137 A138 R143 R144 E145 | E137-L141 WeakPolarHBondContact O-CB 3.36Å; E137-L141 VanDerWaalsContact O-CG 3.28Å; E137-L141 WeakPolarHBondContact O-CG 3.33Å; E137-L141 PolarHBondContact O-N 3.42Å; A138-L141 PolarHBondContact O-N 2.95Å; L141-R143 PolarHBondContact O-N 3.27Å; L141-R144 PolarHBondContact O-N 3.46Å; L141-E145 WeakPolarHBondContact O-CG 3.33Å; L141-E145 PolarHBondContact O-N 3.01Å |
| 142 | Q | 96.9 | Very high | 96.9 | Very high | 115 Ų | 115 | 111.8 Ų | 111.8 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 176.3 | -75.2 | 176.6 | -1.3 | 0 | 0 | 112.1 | A138 E139 R144 E145 E146 | A138-Q142 VanDerWaalsContact O-CG 3.31Å; A138-Q142 WeakPolarHBondContact O-CG 3.49Å; A138-Q142 PolarHBondContact O-N 2.84Å; E139-Q142 PolarHBondContact O-N 3.47Å; Q142-R144 PolarHBondContact O-N 3.47Å; Q142-E145 PolarHBondContact O-N 3.28Å; Q142-E146 WeakPolarHBondContact O-CB 3.42Å; Q142-E146 WeakPolarHBondContact O-CG 3.5Å; Q142-E146 PolarHBondContact O-N 2.87Å |
| 143 | R | 96.5 | Very high | 96.9 | Very high | 145 Ų | 145 | 108.6 Ų | 108.6 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 176.4 | -71.7 | 175.4 | -163 | 159.4 | 12.4 | 112 | E139 L141 E146 E147 | E139-R143 VanDerWaalsContact O-CG 3.3Å; E139-R143 WeakPolarHBondContact O-CG 3.25Å; E139-R143 PolarHBondContact O-N 2.98Å; E139-R143 IonicContact OE2-NH2 3.99Å; E139-R143 PolarHBondContact OE2-NH2 3.4Å; L141-R143 PolarHBondContact O-N 3.27Å; R143-E146 PolarHBondContact O-N 3.42Å; R143-E147 WeakPolarHBondContact O-CB 3.46Å; R143-E147 VanDerWaalsContact O-CG 3.31Å; R143-E147 WeakPolarHBondContact O-CG 3.26Å; R143-E147 PolarHBondContact O-N 3.42Å |
| 144 | R | 96.8 | Very high | 96.9 | Very high | 159 Ų | 159 | 106.6 Ų | 106.6 | 60% | 0.6 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.4 | -43.8 | 175.8 | -72.9 | 173 | -178.1 | -179.4 | 2.6 | 111.9 | A140 L141 Q142 E146 E147 E148 | A140-R144 VanDerWaalsContact O-CG 3.27Å; A140-R144 WeakPolarHBondContact O-CG 3.34Å; A140-R144 PolarHBondContact O-N 2.97Å; L141-R144 PolarHBondContact O-N 3.46Å; Q142-R144 PolarHBondContact O-N 3.47Å; R144-E146 VanDerWaalsContact C-N 3.33Å; R144-E146 PolarHBondContact O-N 2.64Å; R144-E147 PolarHBondContact O-N 3.04Å; R144-E148 WeakPolarHBondContact O-CB 3.5Å; R144-E148 WeakPolarHBondContact O-CG 3.49Å; R144-E148 PolarHBondContact O-N 2.86Å |
| 145 | E | 96.8 | Very high | 96.9 | Very high | 102 Ų | 102 | 106.9 Ų | 106.9 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 176.1 | -74.8 | -177.4 | -169.9 | 0 | 0 | 112 | L141 Q142 K149 | L141-E145 WeakPolarHBondContact O-CG 3.33Å; L141-E145 PolarHBondContact O-N 3.01Å; Q142-E145 PolarHBondContact O-N 3.28Å; E145-K149 WeakPolarHBondContact O-CB 3.33Å; E145-K149 WeakPolarHBondContact O-CD 3.29Å; E145-K149 WeakPolarHBondContact O-CG 3.42Å; E145-K149 PolarHBondContact O-N 3.26Å; E145-K149 IonicContact OE2-NZ 3.74Å |
| 146 | E | 97.4 | Very high | 96.9 | Very high | 97 Ų | 97 | 106.5 Ų | 106.5 | 45% | 0.453 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 175.5 | -74.4 | 178.1 | -170.3 | 0 | 0 | 112.1 | Q142 R143 R144 K149 R150 | Q142-E146 WeakPolarHBondContact O-CB 3.42Å; Q142-E146 WeakPolarHBondContact O-CG 3.5Å; Q142-E146 PolarHBondContact O-N 2.87Å; R143-E146 PolarHBondContact O-N 3.42Å; R144-E146 VanDerWaalsContact C-N 3.33Å; R144-E146 PolarHBondContact O-N 2.64Å; E146-K149 PolarHBondContact O-N 2.98Å; E146-R150 WeakPolarHBondContact O-CB 3.43Å; E146-R150 VanDerWaalsContact O-CG 3.26Å; E146-R150 WeakPolarHBondContact O-CG 3.36Å; E146-R150 PolarHBondContact O-N 3.47Å |
| 147 | E | 97 | Very high | 96.8 | Very high | 127 Ų | 127 | 107.4 Ų | 107.4 | 59% | 0.593 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.1 | -43.9 | 175.2 | -74.9 | 173.6 | -178.7 | 0 | 0 | 111.5 | R143 R144 R150 L151 | R143-E147 WeakPolarHBondContact O-CB 3.46Å; R143-E147 VanDerWaalsContact O-CG 3.31Å; R143-E147 WeakPolarHBondContact O-CG 3.26Å; R143-E147 PolarHBondContact O-N 3.42Å; R144-E147 PolarHBondContact O-N 3.04Å; E147-R150 PolarHBondContact O-N 3.29Å; E147-L151 WeakPolarHBondContact O-CB 3.27Å; E147-L151 PolarHBondContact O-N 2.89Å |
| 148 | E | 96.6 | Very high | 96.8 | Very high | 107 Ų | 107 | 105.9 Ų | 105.9 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 175 | -78 | -171.7 | -165.1 | 0 | 0 | 112.3 | R144 L151 K152 | R144-E148 WeakPolarHBondContact O-CB 3.5Å; R144-E148 WeakPolarHBondContact O-CG 3.49Å; R144-E148 PolarHBondContact O-N 2.86Å; E148-L151 PolarHBondContact O-N 2.98Å; E148-K152 WeakPolarHBondContact O-CB 3.32Å; E148-K152 WeakPolarHBondContact O-CD 3.37Å; E148-K152 WeakPolarHBondContact O-CG 3.33Å; E148-K152 PolarHBondContact O-N 3.13Å; E148-K152 IonicContact OE2-NZ 2.81Å; E148-K152 PolarHBondContact OE2-NZ 2.7Å |
| 149 | K | 97 | Very high | 96.8 | Very high | 113 Ų | 113 | 106.5 Ų | 106.5 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 175.7 | -76.6 | 165.9 | -172 | 165.8 | 0 | 110.8 | E145 E146 L151 K152 E153 | E145-K149 WeakPolarHBondContact O-CB 3.33Å; E145-K149 WeakPolarHBondContact O-CD 3.29Å; E145-K149 WeakPolarHBondContact O-CG 3.42Å; E145-K149 PolarHBondContact O-N 3.26Å; E145-K149 IonicContact OE2-NZ 3.74Å; E146-K149 PolarHBondContact O-N 2.98Å; K149-L151 PolarHBondContact O-N 3.42Å; K149-K152 PolarHBondContact O-N 3.48Å; K149-E153 WeakPolarHBondContact O-CB 3.29Å; K149-E153 WeakPolarHBondContact O-CG 3.25Å; K149-E153 PolarHBondContact O-N 3.05Å |
| 150 | R | 96.9 | Very high | 96.8 | Very high | 161 Ų | 161 | 106.6 Ų | 106.6 | 61% | 0.608 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61 | -43.7 | 176.2 | -71.9 | 173.2 | -173.5 | -179.2 | 7.8 | 111.9 | E146 E147 E153 V154 | E146-R150 WeakPolarHBondContact O-CB 3.43Å; E146-R150 VanDerWaalsContact O-CG 3.26Å; E146-R150 WeakPolarHBondContact O-CG 3.36Å; E146-R150 PolarHBondContact O-N 3.47Å; E147-R150 PolarHBondContact O-N 3.29Å; R150-E153 PolarHBondContact O-N 3.22Å; R150-V154 VanDerWaalsContact O-CG2 3.32Å; R150-V154 WeakPolarHBondContact O-CG2 3.38Å; R150-V154 PolarHBondContact O-N 3.17Å |
| 151 | L | 97.4 | Very high | 96.8 | Very high | 126 Ų | 126 | 109.9 Ų | 109.9 | 66% | 0.66 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65 | -42 | 178.1 | -174.6 | 62.5 | 0 | 0 | 0 | 111.5 | E147 E148 K149 V154 S155 | E147-L151 WeakPolarHBondContact O-CB 3.27Å; E147-L151 PolarHBondContact O-N 2.89Å; E148-L151 PolarHBondContact O-N 2.98Å; K149-L151 PolarHBondContact O-N 3.42Å; L151-V154 PolarHBondContact O-N 3.3Å; L151-S155 WeakPolarHBondContact O-CB 3.45Å; L151-S155 PolarHBondContact O-N 3.31Å; L151-S155 PolarHBondContact O-OG 3.44Å |
| 152 | K | 97 | Very high | 96.7 | Very high | 110 Ų | 110 | 113 Ų | 113 | 48% | 0.478 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.4 | -49.7 | 174.2 | -74.6 | 166.6 | -173.1 | 163.2 | 0 | 110.9 | E148 K149 V154 S155 E156 | E148-K152 WeakPolarHBondContact O-CB 3.32Å; E148-K152 WeakPolarHBondContact O-CD 3.37Å; E148-K152 WeakPolarHBondContact O-CG 3.33Å; E148-K152 PolarHBondContact O-N 3.13Å; E148-K152 IonicContact OE2-NZ 2.81Å; E148-K152 PolarHBondContact OE2-NZ 2.7Å; K149-K152 PolarHBondContact O-N 3.48Å; K152-V154 VanDerWaalsContact C-N 3.34Å; K152-V154 PolarHBondContact O-N 2.86Å; K152-S155 WeakPolarHBondContact CA-OG 3.16Å; K152-S155 PolarHBondContact O-N 3.14Å; K152-S155 VanDerWaalsContact O-N 3.12Å; K152-S155 PolarHBondContact O-OG 3.04Å; K152-E156 WeakPolarHBondContact O-CB 3.3Å; K152-E156 WeakPolarHBondContact O-CG 3.45Å; K152-E156 PolarHBondContact O-N 3.04Å |
| 153 | E | 97.2 | Very high | 96.7 | Very high | 92 Ų | 92 | 113 Ų | 113 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.2 | -43 | 177.6 | -75 | 175.9 | -156 | 0 | 0 | 112.6 | K149 R150 E156 R157 | K149-E153 WeakPolarHBondContact O-CB 3.29Å; K149-E153 WeakPolarHBondContact O-CG 3.25Å; K149-E153 PolarHBondContact O-N 3.05Å; R150-E153 PolarHBondContact O-N 3.22Å; E153-E156 PolarHBondContact O-N 2.96Å; E153-R157 VanDerWaalsContact O-CG 3.25Å; E153-R157 WeakPolarHBondContact O-CG 3.42Å; E153-R157 PolarHBondContact O-N 2.72Å; E153-R157 IonicContact OE2-NH2 3.87Å |
| 154 | V | 97.4 | Very high | 96.7 | Very high | 75 Ų | 75 | 113.3 Ų | 113.3 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 176.4 | 172.5 | 0 | 0 | 0 | 0 | 111 | R150 L151 K152 R157 L158 | R150-V154 VanDerWaalsContact O-CG2 3.32Å; R150-V154 WeakPolarHBondContact O-CG2 3.38Å; R150-V154 PolarHBondContact O-N 3.17Å; L151-V154 PolarHBondContact O-N 3.3Å; K152-V154 VanDerWaalsContact C-N 3.34Å; K152-V154 PolarHBondContact O-N 2.86Å; V154-R157 PolarHBondContact O-N 3.21Å; V154-L158 HydrophobicContact CG1-CD1 4.15Å; V154-L158 WeakPolarHBondContact O-CG 3.39Å; V154-L158 PolarHBondContact O-N 3.41Å |
| 155 | S | 95.5 | Very high | 96.7 | Very high | 63 Ų | 63 | 109.9 Ų | 109.9 | 44% | 0.441 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 177.7 | 72.9 | 0 | 0 | 0 | 0 | 112.5 | L151 K152 L158 A159 | L151-S155 WeakPolarHBondContact O-CB 3.45Å; L151-S155 PolarHBondContact O-N 3.31Å; L151-S155 PolarHBondContact O-OG 3.44Å; K152-S155 WeakPolarHBondContact CA-OG 3.16Å; K152-S155 PolarHBondContact O-N 3.14Å; K152-S155 VanDerWaalsContact O-N 3.12Å; K152-S155 PolarHBondContact O-OG 3.04Å; S155-L158 PolarHBondContact O-N 2.88Å; S155-A159 VanDerWaalsContact O-CB 3.32Å; S155-A159 WeakPolarHBondContact O-CB 3.37Å; S155-A159 PolarHBondContact O-N 3.18Å |
| 156 | E | 96.7 | Very high | 96.5 | Very high | 114 Ų | 114 | 109.1 Ų | 109.1 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.3 | -41 | 176.8 | -74.7 | 175.1 | -174.5 | 0 | 0 | 111.3 | K152 E153 A159 Q160 | K152-E156 WeakPolarHBondContact O-CB 3.3Å; K152-E156 WeakPolarHBondContact O-CG 3.45Å; K152-E156 PolarHBondContact O-N 3.04Å; E153-E156 PolarHBondContact O-N 2.96Å; E156-A159 PolarHBondContact O-N 3.32Å; E156-Q160 WeakPolarHBondContact O-CB 3.36Å; E156-Q160 VanDerWaalsContact O-CG 3.28Å; E156-Q160 WeakPolarHBondContact O-CG 3.3Å; E156-Q160 PolarHBondContact O-N 3.14Å |
| 157 | R | 96.9 | Very high | 96.5 | Very high | 146 Ų | 146 | 108.2 Ų | 108.2 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.2 | -47.6 | 174 | -72.6 | 173.6 | -166.1 | 175.5 | 10.1 | 111.7 | E153 V154 A159 Q160 E161 | E153-R157 VanDerWaalsContact O-CG 3.25Å; E153-R157 WeakPolarHBondContact O-CG 3.42Å; E153-R157 PolarHBondContact O-N 2.72Å; E153-R157 IonicContact OE2-NH2 3.87Å; V154-R157 PolarHBondContact O-N 3.21Å; R157-A159 VanDerWaalsContact C-N 3.32Å; R157-A159 PolarHBondContact O-N 3.49Å; R157-Q160 PolarHBondContact O-N 3.38Å; R157-E161 WeakPolarHBondContact O-CG 3.27Å; R157-E161 PolarHBondContact O-N 2.83Å |
| 158 | L | 96.3 | Very high | 96.4 | Very high | 98 Ų | 98 | 108 Ų | 108 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 176.8 | -71 | 172.7 | 0 | 0 | 0 | 111.8 | V154 S155 E161 R162 | V154-L158 HydrophobicContact CG1-CD1 4.15Å; V154-L158 WeakPolarHBondContact O-CG 3.39Å; V154-L158 PolarHBondContact O-N 3.41Å; S155-L158 PolarHBondContact O-N 2.88Å; L158-E161 PolarHBondContact O-N 2.95Å; L158-R162 VanDerWaalsContact O-CG 3.27Å; L158-R162 WeakPolarHBondContact O-CG 3.37Å; L158-R162 PolarHBondContact O-N 2.86Å |
| 159 | A | 96.1 | Very high | 96.4 | Very high | 58 Ų | 58 | 108 Ų | 108 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S155 E156 R157 R162 E163 | S155-A159 VanDerWaalsContact O-CB 3.32Å; S155-A159 WeakPolarHBondContact O-CB 3.37Å; S155-A159 PolarHBondContact O-N 3.18Å; E156-A159 PolarHBondContact O-N 3.32Å; R157-A159 VanDerWaalsContact C-N 3.32Å; R157-A159 PolarHBondContact O-N 3.49Å; A159-R162 PolarHBondContact O-N 2.82Å; A159-E163 WeakPolarHBondContact O-CB 3.36Å; A159-E163 PolarHBondContact O-N 2.98Å |
| 160 | Q | 96.9 | Very high | 96.3 | Very high | 95 Ų | 95 | 110.2 Ų | 110.2 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 175.7 | -73.3 | 175.1 | 13.2 | 0 | 0 | 112.3 | E156 R157 E163 R164 | E156-Q160 WeakPolarHBondContact O-CB 3.36Å; E156-Q160 VanDerWaalsContact O-CG 3.28Å; E156-Q160 WeakPolarHBondContact O-CG 3.3Å; E156-Q160 PolarHBondContact O-N 3.14Å; R157-Q160 PolarHBondContact O-N 3.38Å; Q160-E163 PolarHBondContact O-N 3.47Å; Q160-R164 VanDerWaalsContact O-CG 3.25Å; Q160-R164 WeakPolarHBondContact O-CG 3.38Å; Q160-R164 PolarHBondContact O-N 3.17Å |
| 161 | E | 96.8 | Very high | 96.3 | Very high | 107 Ų | 107 | 109.7 Ų | 109.7 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 175.1 | -73.8 | 175.6 | 175.4 | 0 | 0 | 111.3 | R157 L158 E163 R164 E165 | R157-E161 WeakPolarHBondContact O-CG 3.27Å; R157-E161 PolarHBondContact O-N 2.83Å; L158-E161 PolarHBondContact O-N 2.95Å; E161-E163 PolarHBondContact O-N 3.45Å; E161-R164 PolarHBondContact O-N 2.91Å; E161-E165 WeakPolarHBondContact O-CG 3.42Å; E161-E165 PolarHBondContact O-N 3.12Å |
| 162 | R | 95 | Very high | 96.2 | Very high | 162 Ų | 162 | 109.1 Ų | 109.1 | 61% | 0.611 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.3 | -41 | 175.3 | -70.4 | -61.1 | -173 | -171.7 | 1.8 | 113 | L158 A159 R164 E165 L166 | L158-R162 VanDerWaalsContact O-CG 3.27Å; L158-R162 WeakPolarHBondContact O-CG 3.37Å; L158-R162 PolarHBondContact O-N 2.86Å; A159-R162 PolarHBondContact O-N 2.82Å; R162-R164 VanDerWaalsContact C-N 3.34Å; R162-E165 WeakPolarHBondContact CD-OE2 3.37Å; R162-E165 IonicContact CZ-OE2 3.11Å; R162-E165 IonicContact NE-OE2 3.74Å; R162-E165 IonicContact NH1-OE2 3.94Å; R162-E165 PolarHBondContact NH1-OE2 2.9Å; R162-E165 PolarHBondContact O-N 3.44Å; R162-L166 WeakPolarHBondContact O-CB 3.25Å; R162-L166 VanDerWaalsContact O-CG 3.27Å; R162-L166 WeakPolarHBondContact O-CG 3.36Å; R162-L166 PolarHBondContact O-N 3.11Å |
| 163 | E | 96.1 | Very high | 96.1 | Very high | 116 Ų | 116 | 109.6 Ų | 109.6 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 176.2 | -174.2 | 173.1 | -158.2 | 0 | 0 | 110.9 | A159 Q160 E161 L166 E167 | A159-E163 WeakPolarHBondContact O-CB 3.36Å; A159-E163 PolarHBondContact O-N 2.98Å; Q160-E163 PolarHBondContact O-N 3.47Å; E161-E163 PolarHBondContact O-N 3.45Å; E163-L166 PolarHBondContact O-N 2.86Å; E163-E167 WeakPolarHBondContact O-CB 3.22Å; E163-E167 WeakPolarHBondContact O-CG 3.35Å; E163-E167 PolarHBondContact O-N 3.22Å |
| 164 | R | 96.8 | Very high | 96.1 | Very high | 151 Ų | 151 | 109.6 Ų | 109.6 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62 | -45.3 | 174.9 | -70.5 | 170.9 | -172 | 173.8 | 6.4 | 112.5 | Q160 E161 R162 L166 E167 E168 | Q160-R164 VanDerWaalsContact O-CG 3.25Å; Q160-R164 WeakPolarHBondContact O-CG 3.38Å; Q160-R164 PolarHBondContact O-N 3.17Å; E161-R164 PolarHBondContact O-N 2.91Å; R162-R164 VanDerWaalsContact C-N 3.34Å; R164-L166 VanDerWaalsContact C-N 3.31Å; R164-L166 PolarHBondContact O-N 3.28Å; R164-E167 PolarHBondContact O-N 2.92Å; R164-E168 WeakPolarHBondContact O-CB 3.42Å; R164-E168 WeakPolarHBondContact O-CG 3.32Å; R164-E168 PolarHBondContact O-N 2.92Å |
| 165 | E | 96.3 | Very high | 96 | Very high | 87 Ų | 87 | 110.6 Ų | 110.6 | 41% | 0.407 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.8 | -43.4 | 175.9 | -74.3 | 177.3 | 170.3 | 0 | 0 | 111.5 | E161 R162 E168 Q169 | E161-E165 WeakPolarHBondContact O-CG 3.42Å; E161-E165 PolarHBondContact O-N 3.12Å; R162-E165 WeakPolarHBondContact CD-OE2 3.37Å; R162-E165 IonicContact CZ-OE2 3.11Å; R162-E165 IonicContact NE-OE2 3.74Å; R162-E165 IonicContact NH1-OE2 3.94Å; R162-E165 PolarHBondContact NH1-OE2 2.9Å; R162-E165 PolarHBondContact O-N 3.44Å; E165-E168 PolarHBondContact O-N 2.93Å; E165-Q169 WeakPolarHBondContact O-CB 3.44Å; E165-Q169 VanDerWaalsContact O-CG 3.28Å; E165-Q169 WeakPolarHBondContact O-CG 3.2Å; E165-Q169 PolarHBondContact O-N 3.36Å |
| 166 | L | 94.3 | Very high | 95.9 | Very high | 86 Ų | 86 | 109.3 Ų | 109.3 | 45% | 0.45 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.5 | -39.1 | 177.7 | -71.6 | 173.7 | 0 | 0 | 0 | 112.2 | R162 E163 R164 Q169 R170 | R162-L166 WeakPolarHBondContact O-CB 3.25Å; R162-L166 VanDerWaalsContact O-CG 3.27Å; R162-L166 WeakPolarHBondContact O-CG 3.36Å; R162-L166 PolarHBondContact O-N 3.11Å; E163-L166 PolarHBondContact O-N 2.86Å; R164-L166 VanDerWaalsContact C-N 3.31Å; R164-L166 PolarHBondContact O-N 3.28Å; L166-Q169 PolarHBondContact O-N 2.9Å; L166-R170 WeakPolarHBondContact O-CB 3.47Å; L166-R170 WeakPolarHBondContact O-CG 3.4Å; L166-R170 PolarHBondContact O-N 3.28Å |
| 167 | E | 96.4 | Very high | 95.8 | Very high | 79 Ų | 79 | 109.6 Ų | 109.6 | 37% | 0.369 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 173.6 | -77.2 | -173.8 | -178.4 | 0 | 0 | 111.9 | E163 R164 R170 R171 | E163-E167 WeakPolarHBondContact O-CB 3.22Å; E163-E167 WeakPolarHBondContact O-CG 3.35Å; E163-E167 PolarHBondContact O-N 3.22Å; R164-E167 PolarHBondContact O-N 2.92Å; E167-R170 PolarHBondContact O-N 3.45Å; E167-R171 WeakPolarHBondContact O-CB 3.37Å; E167-R171 VanDerWaalsContact O-CG 3.28Å; E167-R171 WeakPolarHBondContact O-CG 3.29Å; E167-R171 PolarHBondContact O-N 2.89Å; E167-R171 IonicContact OE2-NH2 3.78Å |
| 168 | E | 95.9 | Very high | 95.7 | Very high | 123 Ų | 123 | 109.8 Ų | 109.8 | 58% | 0.575 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.8 | -42.5 | 176.6 | -74.5 | -177.9 | 177.2 | 0 | 0 | 111.7 | R164 E165 R171 L172 | R164-E168 WeakPolarHBondContact O-CB 3.42Å; R164-E168 WeakPolarHBondContact O-CG 3.32Å; R164-E168 PolarHBondContact O-N 2.92Å; E165-E168 PolarHBondContact O-N 2.93Å; E168-R171 PolarHBondContact O-N 3.41Å; E168-L172 WeakPolarHBondContact O-CG 3.27Å; E168-L172 PolarHBondContact O-N 3.4Å |
| 169 | Q | 95.5 | Very high | 95.6 | Very high | 107 Ų | 107 | 111.3 Ų | 111.3 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.5 | -47 | 173.3 | -75.8 | 176.4 | 3.6 | 0 | 0 | 111.4 | E165 L166 R171 L172 E173 | E165-Q169 WeakPolarHBondContact O-CB 3.44Å; E165-Q169 VanDerWaalsContact O-CG 3.28Å; E165-Q169 WeakPolarHBondContact O-CG 3.2Å; E165-Q169 PolarHBondContact O-N 3.36Å; L166-Q169 PolarHBondContact O-N 2.9Å; Q169-R171 VanDerWaalsContact C-N 3.34Å; Q169-R171 PolarHBondContact O-N 2.97Å; Q169-L172 PolarHBondContact O-N 3.48Å; Q169-E173 WeakPolarHBondContact O-CB 3.24Å; Q169-E173 WeakPolarHBondContact O-CG 3.28Å; Q169-E173 PolarHBondContact O-N 2.95Å |
| 170 | R | 95.3 | Very high | 95.6 | Very high | 158 Ų | 158 | 116.5 Ų | 116.5 | 60% | 0.596 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.6 | -42.6 | 175.6 | -73.8 | 171.1 | -176.5 | -179.6 | 3.2 | 112.1 | L166 E167 E173 E174 | L166-R170 WeakPolarHBondContact O-CB 3.47Å; L166-R170 WeakPolarHBondContact O-CG 3.4Å; L166-R170 PolarHBondContact O-N 3.28Å; E167-R170 PolarHBondContact O-N 3.45Å; R170-E173 PolarHBondContact O-N 3.44Å; R170-E174 WeakPolarHBondContact O-CB 3.47Å; R170-E174 WeakPolarHBondContact O-CG 3.29Å; R170-E174 PolarHBondContact O-N 3.36Å |
| 171 | R | 95.8 | Very high | 95.4 | Very high | 151 Ų | 151 | 115.3 Ų | 115.3 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.8 | -44 | 176.3 | -74.3 | 175.8 | -171 | -177.5 | 9 | 112 | E167 E168 Q169 E174 E175 | E167-R171 WeakPolarHBondContact O-CB 3.37Å; E167-R171 VanDerWaalsContact O-CG 3.28Å; E167-R171 WeakPolarHBondContact O-CG 3.29Å; E167-R171 PolarHBondContact O-N 2.89Å; E167-R171 IonicContact OE2-NH2 3.78Å; E168-R171 PolarHBondContact O-N 3.41Å; Q169-R171 VanDerWaalsContact C-N 3.34Å; Q169-R171 PolarHBondContact O-N 2.97Å; R171-E174 PolarHBondContact O-N 2.86Å; R171-E175 WeakPolarHBondContact O-CB 3.4Å; R171-E175 WeakPolarHBondContact O-CG 3.28Å; R171-E175 PolarHBondContact O-N 2.85Å |
| 172 | L | 96.4 | Very high | 95.3 | Very high | 114 Ų | 114 | 114.6 Ų | 114.6 | 60% | 0.597 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.8 | -39.4 | 177.8 | -71.2 | 173.4 | 0 | 0 | 0 | 112 | E168 Q169 E175 A176 | E168-L172 WeakPolarHBondContact O-CG 3.27Å; E168-L172 PolarHBondContact O-N 3.4Å; Q169-L172 PolarHBondContact O-N 3.48Å; L172-E175 PolarHBondContact O-N 2.88Å; L172-A176 VanDerWaalsContact O-CB 3.3Å; L172-A176 WeakPolarHBondContact O-CB 3.36Å; L172-A176 PolarHBondContact O-N 3.33Å |
| 173 | E | 95.5 | Very high | 95.3 | Very high | 119 Ų | 119 | 108.8 Ų | 108.8 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.6 | -49.4 | 173.9 | -74.2 | 175.1 | 175.2 | 0 | 0 | 111 | Q169 R170 E175 A176 E177 | Q169-E173 WeakPolarHBondContact O-CB 3.24Å; Q169-E173 WeakPolarHBondContact O-CG 3.28Å; Q169-E173 PolarHBondContact O-N 2.95Å; R170-E173 PolarHBondContact O-N 3.44Å; E173-E175 VanDerWaalsContact C-N 3.34Å; E173-E175 PolarHBondContact O-N 3.29Å; E173-A176 PolarHBondContact O-N 2.99Å; E173-A176 VanDerWaalsContact O-N 3.16Å; E173-E177 WeakPolarHBondContact O-CB 3.39Å; E173-E177 WeakPolarHBondContact O-CG 3.35Å; E173-E177 PolarHBondContact O-N 2.99Å |
| 174 | E | 95.3 | Very high | 95.2 | Very high | 92 Ų | 92 | 109.1 Ų | 109.1 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 175.5 | -77.2 | -177.2 | -153.1 | 0 | 0 | 112.3 | R170 R171 E177 R178 | R170-E174 WeakPolarHBondContact O-CB 3.47Å; R170-E174 WeakPolarHBondContact O-CG 3.29Å; R170-E174 PolarHBondContact O-N 3.36Å; R171-E174 PolarHBondContact O-N 2.86Å; E174-E177 PolarHBondContact O-N 3.41Å; E174-R178 WeakPolarHBondContact O-CB 3.4Å; E174-R178 WeakPolarHBondContact O-CG 3.38Å; E174-R178 PolarHBondContact O-N 3.38Å; E174-R178 IonicContact OE2-CZ 3.99Å; E174-R178 IonicContact OE2-NH2 3.02Å; E174-R178 PolarHBondContact OE2-NH2 3.12Å |
| 175 | E | 95.8 | Very high | 95.1 | Very high | 96 Ų | 96 | 107 Ų | 107 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 175.8 | -78.8 | -173 | -168.3 | 0 | 0 | 112.5 | R171 L172 E173 K179 | R171-E175 WeakPolarHBondContact O-CB 3.4Å; R171-E175 WeakPolarHBondContact O-CG 3.28Å; R171-E175 PolarHBondContact O-N 2.85Å; L172-E175 PolarHBondContact O-N 2.88Å; E173-E175 VanDerWaalsContact C-N 3.34Å; E173-E175 PolarHBondContact O-N 3.29Å; E175-K179 WeakPolarHBondContact O-CB 3.36Å; E175-K179 VanDerWaalsContact O-CG 3.26Å; E175-K179 WeakPolarHBondContact O-CG 3.3Å; E175-K179 PolarHBondContact O-N 2.88Å; E175-K179 IonicContact OE2-NZ 3.88Å |
| 176 | A | 95 | Very high | 94.9 | Very high | 37 Ų | 37 | 109.6 Ų | 109.6 | 31% | 0.306 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L172 E173 K179 R180 | L172-A176 VanDerWaalsContact O-CB 3.3Å; L172-A176 WeakPolarHBondContact O-CB 3.36Å; L172-A176 PolarHBondContact O-N 3.33Å; E173-A176 PolarHBondContact O-N 2.99Å; E173-A176 VanDerWaalsContact O-N 3.16Å; A176-K179 PolarHBondContact O-N 3.31Å; A176-R180 VanDerWaalsContact O-CG 3.28Å; A176-R180 WeakPolarHBondContact O-CG 3.31Å; A176-R180 PolarHBondContact O-N 2.9Å |
| 177 | E | 94 | Very high | 94.9 | Very high | 120 Ų | 120 | 110.2 Ų | 110.2 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.2 | -47.5 | 173.7 | -73.2 | -175.1 | 167.2 | 0 | 0 | 111.4 | E173 E174 K179 R180 C181 | E173-E177 WeakPolarHBondContact O-CB 3.39Å; E173-E177 WeakPolarHBondContact O-CG 3.35Å; E173-E177 PolarHBondContact O-N 2.99Å; E174-E177 PolarHBondContact O-N 3.41Å; E177-K179 VanDerWaalsContact C-N 3.35Å; E177-K179 PolarHBondContact O-N 2.97Å; E177-R180 WeakPolarHBondContact O-CB 3.33Å; E177-R180 PolarHBondContact O-N 3.11Å; E177-R180 VanDerWaalsContact O-N 3.15Å; E177-C181 PolarHBondContact O-N 3.3Å; E177-C181 PolarHBondContact O-SG 3.46Å |
| 178 | R | 94 | Very high | 94.8 | Very high | 150 Ų | 150 | 110.7 Ų | 110.7 | 57% | 0.566 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57.3 | -45.8 | 175.4 | -73.6 | 172.3 | -164.1 | -176.1 | 11 | 111.9 | E174 R180 C181 E182 | E174-R178 WeakPolarHBondContact O-CB 3.4Å; E174-R178 WeakPolarHBondContact O-CG 3.38Å; E174-R178 PolarHBondContact O-N 3.38Å; E174-R178 IonicContact OE2-CZ 3.99Å; E174-R178 IonicContact OE2-NH2 3.02Å; E174-R178 PolarHBondContact OE2-NH2 3.12Å; R178-R180 VanDerWaalsContact C-N 3.33Å; R178-R180 PolarHBondContact O-N 2.92Å; R178-C181 PolarHBondContact O-N 2.72Å; R178-E182 WeakPolarHBondContact O-CB 3.42Å; R178-E182 WeakPolarHBondContact O-CG 3.4Å; R178-E182 PolarHBondContact O-N 3.04Å |
| 179 | K | 95 | Very high | 94.7 | Very high | 129 Ų | 129 | 109.6 Ų | 109.6 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.5 | -38 | 177.4 | -74.7 | 168.3 | -172.6 | 161.7 | 0 | 112.4 | E175 A176 E177 A183 | E175-K179 WeakPolarHBondContact O-CB 3.36Å; E175-K179 VanDerWaalsContact O-CG 3.26Å; E175-K179 WeakPolarHBondContact O-CG 3.3Å; E175-K179 PolarHBondContact O-N 2.88Å; E175-K179 IonicContact OE2-NZ 3.88Å; A176-K179 PolarHBondContact O-N 3.31Å; E177-K179 VanDerWaalsContact C-N 3.35Å; E177-K179 PolarHBondContact O-N 2.97Å; K179-A183 WeakPolarHBondContact O-CB 3.39Å; K179-A183 PolarHBondContact O-N 2.94Å |
| 180 | R | 94.5 | Very high | 94.6 | Very high | 167 Ų | 167 | 109 Ų | 109 | 63% | 0.63 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.3 | -49.3 | 175 | -72.5 | 170.1 | -174.9 | 172.6 | 3.7 | 111 | A176 E177 R178 E182 A183 E184 | A176-R180 VanDerWaalsContact O-CG 3.28Å; A176-R180 WeakPolarHBondContact O-CG 3.31Å; A176-R180 PolarHBondContact O-N 2.9Å; E177-R180 WeakPolarHBondContact O-CB 3.33Å; E177-R180 PolarHBondContact O-N 3.11Å; E177-R180 VanDerWaalsContact O-N 3.15Å; R178-R180 VanDerWaalsContact C-N 3.33Å; R178-R180 PolarHBondContact O-N 2.92Å; R180-E182 VanDerWaalsContact C-N 3.34Å; R180-E182 PolarHBondContact O-N 2.88Å; R180-A183 PolarHBondContact O-N 2.79Å; R180-E184 WeakPolarHBondContact O-CG 3.41Å; R180-E184 PolarHBondContact O-N 3.16Å |
| 181 | C | 93.3 | Very high | 94.5 | Very high | 71 Ų | 71 | 107.5 Ų | 107.5 | 48% | 0.48 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 176.8 | -66.3 | 0 | 0 | 0 | 0 | 112.2 | E177 R178 E184 L185 | E177-C181 PolarHBondContact O-N 3.3Å; E177-C181 PolarHBondContact O-SG 3.46Å; R178-C181 PolarHBondContact O-N 2.72Å; C181-E184 PolarHBondContact O-N 3.43Å; C181-L185 WeakPolarHBondContact O-CB 3.32Å; C181-L185 VanDerWaalsContact O-CG 3.28Å; C181-L185 WeakPolarHBondContact O-CG 3.25Å; C181-L185 PolarHBondContact O-N 3.31Å |
| 182 | E | 94.9 | Very high | 94.2 | Very high | 91 Ų | 91 | 106.4 Ų | 106.4 | 43% | 0.425 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 174.4 | -78.5 | -176.7 | -163.6 | 0 | 0 | 112.5 | R178 R180 L185 R186 | R178-E182 WeakPolarHBondContact O-CB 3.42Å; R178-E182 WeakPolarHBondContact O-CG 3.4Å; R178-E182 PolarHBondContact O-N 3.04Å; R180-E182 VanDerWaalsContact C-N 3.34Å; R180-E182 PolarHBondContact O-N 2.88Å; E182-L185 PolarHBondContact O-N 2.95Å; E182-R186 WeakPolarHBondContact O-CB 3.46Å; E182-R186 VanDerWaalsContact O-CG 3.28Å; E182-R186 WeakPolarHBondContact O-CG 3.42Å; E182-R186 PolarHBondContact O-N 3.4Å; E182-R186 IonicContact OE2-CZ 3.72Å; E182-R186 IonicContact OE2-NH2 2.82Å; E182-R186 PolarHBondContact OE2-NH2 2.9Å |
| 183 | A | 94.9 | Very high | 94 | Very high | 40 Ų | 40 | 108.7 Ų | 108.7 | 33% | 0.331 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K179 R180 L185 R186 E187 | K179-A183 WeakPolarHBondContact O-CB 3.39Å; K179-A183 PolarHBondContact O-N 2.94Å; R180-A183 PolarHBondContact O-N 2.79Å; A183-L185 PolarHBondContact O-N 2.86Å; A183-R186 PolarHBondContact O-N 3.09Å; A183-E187 WeakPolarHBondContact O-CG 3.28Å; A183-E187 PolarHBondContact O-N 3.02Å |
| 184 | E | 95 | Very high | 93.8 | Very high | 123 Ų | 123 | 109.6 Ų | 109.6 | 58% | 0.575 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.2 | -43.5 | 175.1 | -72.8 | 176 | -177.3 | 0 | 0 | 111.8 | R180 C181 E187 L188 | R180-E184 WeakPolarHBondContact O-CG 3.41Å; R180-E184 PolarHBondContact O-N 3.16Å; C181-E184 PolarHBondContact O-N 3.43Å; E184-E187 PolarHBondContact O-N 3.44Å; E184-L188 WeakPolarHBondContact O-CG 3.28Å; E184-L188 PolarHBondContact O-N 2.96Å |
| 185 | L | 93.2 | Very high | 93.6 | Very high | 106 Ų | 106 | 110.6 Ų | 110.6 | 56% | 0.555 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.8 | -45.1 | 175 | -73.9 | 172.7 | 0 | 0 | 0 | 111.8 | C181 E182 A183 E187 L188 E189 | C181-L185 WeakPolarHBondContact O-CB 3.32Å; C181-L185 VanDerWaalsContact O-CG 3.28Å; C181-L185 WeakPolarHBondContact O-CG 3.25Å; C181-L185 PolarHBondContact O-N 3.31Å; E182-L185 PolarHBondContact O-N 2.95Å; A183-L185 PolarHBondContact O-N 2.86Å; L185-E187 PolarHBondContact O-N 3.24Å; L185-L188 PolarHBondContact O-N 2.85Å; L185-E189 WeakPolarHBondContact O-CG 3.23Å; L185-E189 PolarHBondContact O-N 2.86Å |
| 186 | R | 93.9 | Very high | 93.5 | Very high | 142 Ų | 142 | 108.4 Ų | 108.4 | 54% | 0.536 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 176.5 | -74.5 | 176.2 | -166.8 | 139.8 | 14.6 | 112.2 | E182 A183 L188 E189 E190 | E182-R186 WeakPolarHBondContact O-CB 3.46Å; E182-R186 VanDerWaalsContact O-CG 3.28Å; E182-R186 WeakPolarHBondContact O-CG 3.42Å; E182-R186 PolarHBondContact O-N 3.4Å; E182-R186 IonicContact OE2-CZ 3.72Å; E182-R186 IonicContact OE2-NH2 2.82Å; E182-R186 PolarHBondContact OE2-NH2 2.9Å; A183-R186 PolarHBondContact O-N 3.09Å; R186-L188 VanDerWaalsContact C-N 3.35Å; R186-E189 PolarHBondContact O-N 3.47Å; R186-E190 WeakPolarHBondContact O-CG 3.46Å; R186-E190 PolarHBondContact O-N 2.94Å |
| 187 | E | 94.3 | Very high | 93.3 | Very high | 100 Ų | 100 | 111.8 Ų | 111.8 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 176.4 | -76.8 | -172.3 | -162.7 | 0 | 0 | 112.1 | A183 E184 L185 E190 R191 | A183-E187 WeakPolarHBondContact O-CG 3.28Å; A183-E187 PolarHBondContact O-N 3.02Å; E184-E187 PolarHBondContact O-N 3.44Å; L185-E187 PolarHBondContact O-N 3.24Å; E187-E190 PolarHBondContact O-N 3.42Å; E187-R191 WeakPolarHBondContact O-CB 3.31Å; E187-R191 VanDerWaalsContact O-CG 3.26Å; E187-R191 WeakPolarHBondContact O-CG 3.38Å; E187-R191 PolarHBondContact O-N 3.47Å; E187-R191 IonicContact OE2-CZ 4Å; E187-R191 IonicContact OE2-NH2 2.98Å; E187-R191 PolarHBondContact OE2-NH2 2.81Å |
| 188 | L | 93.4 | Very high | 93.2 | Very high | 89 Ų | 89 | 111.6 Ų | 111.6 | 47% | 0.466 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 174.7 | -72 | 173 | 0 | 0 | 0 | 111.6 | E184 L185 R186 R191 Q192 | E184-L188 WeakPolarHBondContact O-CG 3.28Å; E184-L188 PolarHBondContact O-N 2.96Å; L185-L188 PolarHBondContact O-N 2.85Å; R186-L188 VanDerWaalsContact C-N 3.35Å; L188-R191 PolarHBondContact O-N 3.45Å; L188-Q192 WeakPolarHBondContact O-CG 3.46Å; L188-Q192 PolarHBondContact O-N 3.24Å |
| 189 | E | 92.8 | Very high | 92.9 | Very high | 99 Ų | 99 | 109.1 Ų | 109.1 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 174.3 | -74.9 | -178.3 | -169.3 | 0 | 0 | 112.1 | L185 R186 Q192 R193 | L185-E189 WeakPolarHBondContact O-CG 3.23Å; L185-E189 PolarHBondContact O-N 2.86Å; R186-E189 PolarHBondContact O-N 3.47Å; E189-Q192 PolarHBondContact O-N 3.15Å; E189-R193 VanDerWaalsContact O-CG 3.29Å; E189-R193 WeakPolarHBondContact O-CG 3.5Å; E189-R193 PolarHBondContact O-N 2.97Å |
| 190 | E | 93.7 | Very high | 92.6 | Very high | 95 Ų | 95 | 107.8 Ų | 107.8 | 44% | 0.444 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 176.4 | -76.7 | -169.6 | -175.5 | 0 | 0 | 112.5 | R186 E187 R193 R194 | R186-E190 WeakPolarHBondContact O-CG 3.46Å; R186-E190 PolarHBondContact O-N 2.94Å; E187-E190 PolarHBondContact O-N 3.42Å; E190-R193 PolarHBondContact O-N 2.96Å; E190-R194 WeakPolarHBondContact O-CG 3.32Å; E190-R194 PolarHBondContact O-N 3.02Å; E190-R194 IonicContact OE2-CZ 3.73Å; E190-R194 IonicContact OE2-NH2 2.83Å; E190-R194 PolarHBondContact OE2-NH2 3.47Å |
| 191 | R | 93 | Very high | 92.4 | Very high | 126 Ų | 126 | 107 Ų | 107 | 48% | 0.475 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 175 | -72.8 | 173.9 | -162.9 | 169.3 | 11.2 | 110.8 | E187 L188 R193 R194 E195 | E187-R191 WeakPolarHBondContact O-CB 3.31Å; E187-R191 VanDerWaalsContact O-CG 3.26Å; E187-R191 WeakPolarHBondContact O-CG 3.38Å; E187-R191 PolarHBondContact O-N 3.47Å; E187-R191 IonicContact OE2-CZ 4Å; E187-R191 IonicContact OE2-NH2 2.98Å; E187-R191 PolarHBondContact OE2-NH2 2.81Å; L188-R191 PolarHBondContact O-N 3.45Å; R191-R193 VanDerWaalsContact C-N 3.3Å; R191-R193 PolarHBondContact O-N 2.9Å; R191-R194 PolarHBondContact O-N 2.93Å; R191-E195 WeakPolarHBondContact O-CB 3.2Å; R191-E195 VanDerWaalsContact O-CG 3.32Å; R191-E195 WeakPolarHBondContact O-CG 3.36Å; R191-E195 PolarHBondContact O-N 3.5Å |
| 192 | Q | 90.8 | Very high | 92.1 | Very high | 129 Ų | 129 | 107.1 Ų | 107.1 | 60% | 0.603 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.3 | -38.2 | 176 | -73.2 | 178.8 | 1.6 | 0 | 0 | 112.6 | L188 E189 A196 | L188-Q192 WeakPolarHBondContact O-CG 3.46Å; L188-Q192 PolarHBondContact O-N 3.24Å; E189-Q192 PolarHBondContact O-N 3.15Å; Q192-A196 VanDerWaalsContact O-CB 3.25Å; Q192-A196 WeakPolarHBondContact O-CB 3.36Å; Q192-A196 PolarHBondContact O-N 2.9Å |
| 193 | R | 92.4 | Very high | 91.7 | Very high | 161 Ų | 161 | 108.7 Ų | 108.7 | 61% | 0.608 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65 | -46.4 | 175 | -74.9 | 177 | -171.1 | -170.7 | 7.4 | 111.9 | E189 E190 R191 A196 E197 | E189-R193 VanDerWaalsContact O-CG 3.29Å; E189-R193 WeakPolarHBondContact O-CG 3.5Å; E189-R193 PolarHBondContact O-N 2.97Å; E190-R193 PolarHBondContact O-N 2.96Å; R191-R193 VanDerWaalsContact C-N 3.3Å; R191-R193 PolarHBondContact O-N 2.9Å; R193-A196 PolarHBondContact O-N 3.2Å; R193-E197 WeakPolarHBondContact O-CB 3.32Å; R193-E197 WeakPolarHBondContact O-CG 3.36Å; R193-E197 PolarHBondContact O-N 3.32Å |
| 194 | R | 90.6 | Very high | 91.1 | Very high | 138 Ų | 138 | 113.7 Ų | 113.7 | 52% | 0.521 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -46 | 176.7 | -70.9 | 176.9 | -169.4 | 136.2 | 14.9 | 111.1 | E190 R191 A196 E197 E198 | E190-R194 WeakPolarHBondContact O-CG 3.32Å; E190-R194 PolarHBondContact O-N 3.02Å; E190-R194 IonicContact OE2-CZ 3.73Å; E190-R194 IonicContact OE2-NH2 2.83Å; E190-R194 PolarHBondContact OE2-NH2 3.47Å; R191-R194 PolarHBondContact O-N 2.93Å; R194-A196 VanDerWaalsContact C-N 3.34Å; R194-A196 PolarHBondContact O-N 3.38Å; R194-E197 PolarHBondContact O-N 2.9Å; R194-E198 WeakPolarHBondContact O-CB 3.47Å; R194-E198 WeakPolarHBondContact O-CG 3.27Å; R194-E198 PolarHBondContact O-N 3.44Å |
| 195 | E | 92 | Very high | 90.6 | Very high | 114 Ų | 114 | 113.3 Ų | 113.3 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 175.1 | -72.6 | 172.5 | -172.5 | 0 | 0 | 111.7 | R191 E198 L199 | R191-E195 WeakPolarHBondContact O-CB 3.2Å; R191-E195 VanDerWaalsContact O-CG 3.32Å; R191-E195 WeakPolarHBondContact O-CG 3.36Å; R191-E195 PolarHBondContact O-N 3.5Å; E195-E198 PolarHBondContact O-N 2.85Å; E195-L199 VanDerWaalsContact O-CB 3.31Å; E195-L199 WeakPolarHBondContact O-CB 3.47Å; E195-L199 WeakPolarHBondContact O-CG 3.49Å; E195-L199 PolarHBondContact O-N 3.25Å |
| 196 | A | 91.7 | Very high | 89.9 | Confident | 49 Ų | 49 | 113.1 Ų | 113.1 | 41% | 0.405 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q192 R193 R194 Q200 | Q192-A196 VanDerWaalsContact O-CB 3.25Å; Q192-A196 WeakPolarHBondContact O-CB 3.36Å; Q192-A196 PolarHBondContact O-N 2.9Å; R193-A196 PolarHBondContact O-N 3.2Å; R194-A196 VanDerWaalsContact C-N 3.34Å; R194-A196 PolarHBondContact O-N 3.38Å; A196-Q200 WeakPolarHBondContact O-CG 3.48Å; A196-Q200 PolarHBondContact O-N 2.96Å |
| 197 | E | 92.6 | Very high | 89.2 | Confident | 108 Ų | 108 | 111.6 Ų | 111.6 | 51% | 0.505 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 175.2 | -76 | -177.8 | -165.4 | 0 | 0 | 112.1 | R193 R194 Q200 R201 | R193-E197 WeakPolarHBondContact O-CB 3.32Å; R193-E197 WeakPolarHBondContact O-CG 3.36Å; R193-E197 PolarHBondContact O-N 3.32Å; R194-E197 PolarHBondContact O-N 2.9Å; E197-Q200 CarbonylContact O-C 3.58Å; E197-Q200 WeakPolarHBondContact O-CB 3.31Å; E197-Q200 PolarHBondContact O-N 3.13Å; E197-R201 WeakPolarHBondContact O-CG 3.37Å; E197-R201 PolarHBondContact O-N 3.36Å |
| 198 | E | 90.5 | Very high | 88.3 | Confident | 116 Ų | 116 | 112.8 Ų | 112.8 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 173.6 | -75.3 | 178.7 | -176.8 | 0 | 0 | 111 | R194 E195 Q200 R201 I202 | R194-E198 WeakPolarHBondContact O-CB 3.47Å; R194-E198 WeakPolarHBondContact O-CG 3.27Å; R194-E198 PolarHBondContact O-N 3.44Å; E195-E198 PolarHBondContact O-N 2.85Å; E198-Q200 VanDerWaalsContact C-N 3.28Å; E198-Q200 PolarHBondContact O-N 2.94Å; E198-R201 PolarHBondContact O-N 2.82Å; E198-R201 VanDerWaalsContact O-N 3.13Å; E198-I202 WeakPolarHBondContact O-CB 3.27Å; E198-I202 VanDerWaalsContact O-CG1 3.25Å; E198-I202 WeakPolarHBondContact O-CG1 3.28Å; E198-I202 PolarHBondContact O-N 3.45Å |
| 199 | L | 89 | Confident | 87.2 | Confident | 99 Ų | 99 | 115 Ų | 115 | 52% | 0.518 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.5 | -38.2 | 172.2 | -75.6 | 171.3 | 0 | 0 | 0 | 111.8 | E195 K203 | E195-L199 VanDerWaalsContact O-CB 3.31Å; E195-L199 WeakPolarHBondContact O-CB 3.47Å; E195-L199 WeakPolarHBondContact O-CG 3.49Å; E195-L199 PolarHBondContact O-N 3.25Å; L199-K203 VanDerWaalsContact O-CB 3.28Å; L199-K203 WeakPolarHBondContact O-CB 3.41Å; L199-K203 WeakPolarHBondContact O-CG 3.36Å; L199-K203 PolarHBondContact O-N 3.45Å |
| 200 | Q | 88.9 | Confident | 86 | Confident | 101 Ų | 101 | 115.1 Ų | 115.1 | 47% | 0.472 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 173.6 | -77.6 | -159.1 | 25.7 | 0 | 0 | 112.4 | A196 E197 E198 K203 R204 | A196-Q200 WeakPolarHBondContact O-CG 3.48Å; A196-Q200 PolarHBondContact O-N 2.96Å; E197-Q200 CarbonylContact O-C 3.58Å; E197-Q200 WeakPolarHBondContact O-CB 3.31Å; E197-Q200 PolarHBondContact O-N 3.13Å; E198-Q200 VanDerWaalsContact C-N 3.28Å; E198-Q200 PolarHBondContact O-N 2.94Å; Q200-K203 PolarHBondContact O-N 2.92Å; Q200-R204 WeakPolarHBondContact O-CB 3.29Å; Q200-R204 VanDerWaalsContact O-CG 3.23Å; Q200-R204 WeakPolarHBondContact O-CG 3.39Å; Q200-R204 PolarHBondContact O-N 3.34Å |
| 201 | R | 88.4 | Confident | 84.5 | Confident | 149 Ų | 149 | 114.9 Ų | 114.9 | 56% | 0.562 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.8 | -49.9 | 175.9 | -71.8 | 175.9 | -169.6 | -165.6 | 5.8 | 110.7 | E197 E198 K203 R204 E205 | E197-R201 WeakPolarHBondContact O-CG 3.37Å; E197-R201 PolarHBondContact O-N 3.36Å; E198-R201 PolarHBondContact O-N 2.82Å; E198-R201 VanDerWaalsContact O-N 3.13Å; R201-K203 VanDerWaalsContact C-N 3.32Å; R201-K203 PolarHBondContact O-N 2.92Å; R201-R204 PolarHBondContact O-N 3.33Å; R201-R204 VanDerWaalsContact O-N 3.11Å; R201-E205 WeakPolarHBondContact O-CB 3.33Å; R201-E205 WeakPolarHBondContact O-CG 3.45Å; R201-E205 PolarHBondContact O-N 2.82Å |
| 202 | I | 88.1 | Confident | 82.9 | Confident | 75 Ų | 75 | 116.3 Ų | 116.3 | 39% | 0.385 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -57.8 | -44.4 | 175 | -66.9 | 165.7 | 0 | 0 | 0 | 110.4 | E198 R204 E205 Q206 | E198-I202 WeakPolarHBondContact O-CB 3.27Å; E198-I202 VanDerWaalsContact O-CG1 3.25Å; E198-I202 WeakPolarHBondContact O-CG1 3.28Å; E198-I202 PolarHBondContact O-N 3.45Å; I202-R204 PolarHBondContact O-N 2.82Å; I202-E205 PolarHBondContact O-N 3.13Å; I202-Q206 HydrophobicContact CG2-CG 4.17Å; I202-Q206 VanDerWaalsContact O-CB 3.24Å; I202-Q206 WeakPolarHBondContact O-CB 3.21Å; I202-Q206 WeakPolarHBondContact O-CG 3.34Å; I202-Q206 PolarHBondContact O-N 3.43Å |
| 203 | K | 86 | Confident | 81.4 | Confident | 124 Ų | 124 | 119.1 Ų | 119.1 | 54% | 0.539 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 175 | -78.7 | 171.2 | -175.2 | 178.9 | 0 | 112 | L199 Q200 R201 Q206 E207 | L199-K203 VanDerWaalsContact O-CB 3.28Å; L199-K203 WeakPolarHBondContact O-CB 3.41Å; L199-K203 WeakPolarHBondContact O-CG 3.36Å; L199-K203 PolarHBondContact O-N 3.45Å; Q200-K203 PolarHBondContact O-N 2.92Å; R201-K203 VanDerWaalsContact C-N 3.32Å; R201-K203 PolarHBondContact O-N 2.92Å; K203-Q206 PolarHBondContact O-N 3.39Å; K203-E207 WeakPolarHBondContact O-CB 3.01Å; K203-E207 WeakPolarHBondContact O-CG 3.2Å; K203-E207 PolarHBondContact O-N 3.34Å |
| 204 | R | 83.5 | Confident | 79.7 | Confident | 145 Ų | 145 | 121.2 Ų | 121.2 | 55% | 0.547 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.6 | -43.7 | 177.3 | -69.9 | 170.4 | -164.6 | 174 | 7.4 | 111.5 | Q200 R201 I202 E207 I208 | Q200-R204 WeakPolarHBondContact O-CB 3.29Å; Q200-R204 VanDerWaalsContact O-CG 3.23Å; Q200-R204 WeakPolarHBondContact O-CG 3.39Å; Q200-R204 PolarHBondContact O-N 3.34Å; R201-R204 PolarHBondContact O-N 3.33Å; R201-R204 VanDerWaalsContact O-N 3.11Å; I202-R204 PolarHBondContact O-N 2.82Å; R204-E207 WeakPolarHBondContact O-CB 3.29Å; R204-E207 PolarHBondContact O-N 2.85Å; R204-I208 WeakPolarHBondContact O-CD1 3.18Å; R204-I208 VanDerWaalsContact O-CG1 3.24Å; R204-I208 WeakPolarHBondContact O-CG1 3.35Å; R204-I208 PolarHBondContact O-N 3.34Å |
| 205 | E | 83.2 | Confident | 77.8 | Confident | 114 Ų | 114 | 121.9 Ų | 121.9 | 53% | 0.533 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.5 | -45.6 | 175.4 | -73.6 | 173.7 | -172.4 | 0 | 0 | 111.6 | R201 I202 E207 I208 I209 | R201-E205 WeakPolarHBondContact O-CB 3.33Å; R201-E205 WeakPolarHBondContact O-CG 3.45Å; R201-E205 PolarHBondContact O-N 2.82Å; I202-E205 PolarHBondContact O-N 3.13Å; E205-E207 VanDerWaalsContact C-N 3.32Å; E205-E207 PolarHBondContact O-N 3.38Å; E205-I208 WeakPolarHBondContact O-CB 3.3Å; E205-I208 PolarHBondContact O-N 2.85Å; E205-I209 VanDerWaalsContact O-CG1 3.28Å; E205-I209 WeakPolarHBondContact O-CG1 3.2Å; E205-I209 PolarHBondContact O-N 2.95Å |
| 206 | Q | 79.7 | Confident | 76.3 | Confident | 102 Ų | 102 | 126.3 Ų | 126.3 | 48% | 0.477 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.4 | -41.5 | 172.7 | -76.4 | 179.1 | 8.9 | 0 | 0 | 111.4 | I202 K203 I208 I209 L210 | I202-Q206 HydrophobicContact CG2-CG 4.17Å; I202-Q206 VanDerWaalsContact O-CB 3.24Å; I202-Q206 WeakPolarHBondContact O-CB 3.21Å; I202-Q206 WeakPolarHBondContact O-CG 3.34Å; I202-Q206 PolarHBondContact O-N 3.43Å; K203-Q206 PolarHBondContact O-N 3.39Å; Q206-I208 VanDerWaalsContact C-N 3.34Å; Q206-I209 PolarHBondContact O-N 2.76Å; Q206-L210 HydrophobicContact CB-CD1 4.42Å; Q206-L210 WeakPolarHBondContact O-CB 3.16Å; Q206-L210 WeakPolarHBondContact O-CD1 3.34Å; Q206-L210 WeakPolarHBondContact O-CG 3.42Å; Q206-L210 PolarHBondContact O-N 3.06Å |
| 207 | E | 79.2 | Confident | 74.8 | Confident | 110 Ų | 110 | 129 Ų | 129 | 51% | 0.514 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.3 | -38.3 | 175.2 | -81.2 | -179.5 | -168.1 | 0 | 0 | 112.8 | K203 R204 E205 N211 | K203-E207 WeakPolarHBondContact O-CB 3.01Å; K203-E207 WeakPolarHBondContact O-CG 3.2Å; K203-E207 PolarHBondContact O-N 3.34Å; R204-E207 WeakPolarHBondContact O-CB 3.29Å; R204-E207 PolarHBondContact O-N 2.85Å; E205-E207 VanDerWaalsContact C-N 3.32Å; E205-E207 PolarHBondContact O-N 3.38Å; E207-N211 PolarHBondContact O-N 2.83Å |
| 208 | I | 74.3 | Confident | 73.4 | Confident | 125 Ų | 125 | 133.8 Ų | 133.8 | 64% | 0.641 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.1 | -49.4 | 174.9 | -68.5 | 163.2 | 0 | 0 | 0 | 110.2 | R204 E205 Q206 N211 | R204-I208 WeakPolarHBondContact O-CD1 3.18Å; R204-I208 VanDerWaalsContact O-CG1 3.24Å; R204-I208 WeakPolarHBondContact O-CG1 3.35Å; R204-I208 PolarHBondContact O-N 3.34Å; E205-I208 WeakPolarHBondContact O-CB 3.3Å; E205-I208 PolarHBondContact O-N 2.85Å; Q206-I208 VanDerWaalsContact C-N 3.34Å; I208-N211 PolarHBondContact O-N 3.44Å |
| 209 | I | 70.2 | Confident | 71.8 | Confident | 135 Ų | 135 | 133.6 Ų | 133.6 | 69% | 0.692 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.3 | -45.9 | 179.4 | -66.8 | 165.7 | 0 | 0 | 0 | 111.1 | E205 Q206 N211 | E205-I209 VanDerWaalsContact O-CG1 3.28Å; E205-I209 WeakPolarHBondContact O-CG1 3.2Å; E205-I209 PolarHBondContact O-N 2.95Å; Q206-I209 PolarHBondContact O-N 2.76Å; I209-N211 PolarHBondContact O-N 3.5Å; I209-N211 VanDerWaalsContact O-N 3.12Å |
| 210 | L | 68 | Low | 70.8 | Confident | 102 Ų | 102 | 134.2 Ų | 134.2 | 53% | 0.534 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.9 | -4.1 | 178.3 | -76.2 | 159.3 | 0 | 0 | 0 | 112.7 | Q206 K212 | Q206-L210 HydrophobicContact CB-CD1 4.42Å; Q206-L210 WeakPolarHBondContact O-CB 3.16Å; Q206-L210 WeakPolarHBondContact O-CD1 3.34Å; Q206-L210 WeakPolarHBondContact O-CG 3.42Å; Q206-L210 PolarHBondContact O-N 3.06Å; L210-K212 HydrophobicContact CB-CD 4.38Å; L210-K212 HydrophobicContact CB-CG 3.91Å; L210-K212 PolarHBondContact O-N 3.05Å |
| 211 | N | 63.4 | Low | 69.7 | Low | 90 Ų | 90 | 137.3 Ų | 137.3 | 48% | 0.481 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 45.4 | 33.2 | 172.4 | -98.8 | -44 | 0 | 0 | 0 | 112.8 | E207 I208 I209 K213 R214 | E207-N211 PolarHBondContact O-N 2.83Å; I208-N211 PolarHBondContact O-N 3.44Å; I209-N211 PolarHBondContact O-N 3.5Å; I209-N211 VanDerWaalsContact O-N 3.12Å; N211-K213 PolarHBondContact O-N 3.48Å; N211-R214 HydrophobicContact CB-CB 4.43Å; N211-R214 PolarHBondContact O-N 2.81Å |
| 212 | K | 59.3 | Low | 68.1 | Low | 156 Ų | 156 | 137 Ų | 137 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -16.5 | -172.2 | -68.2 | -176.6 | -179.8 | 174 | 0 | 112.4 | L210 | L210-K212 HydrophobicContact CB-CD 4.38Å; L210-K212 HydrophobicContact CB-CG 3.91Å; L210-K212 PolarHBondContact O-N 3.05Å |
| 213 | K | 58.6 | Low | 66.2 | Low | 189 Ų | 189 | 140 Ų | 140 | 82% | 0.822 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -5.2 | 173.9 | -63 | -175.7 | -178.6 | 174.8 | 0 | 113.9 | N211 I215 | N211-K213 PolarHBondContact O-N 3.48Å; K213-I215 PolarHBondContact O-N 3.28Å |
| 214 | R | 55.6 | Low | 64 | Low | 205 Ų | 205 | 143 Ų | 143 | 77% | 0.774 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -100.2 | 79 | 169.6 | -66.5 | -168.5 | 176.6 | -147.2 | -0.9 | 109 | N211 R216 | N211-R214 HydrophobicContact CB-CB 4.43Å; N211-R214 PolarHBondContact O-N 2.81Å; R214-R216 PolarHBondContact O-N 3.2Å |
| 215 | I | 52.8 | Low | 62.2 | Low | 152 Ų | 152 | 149.6 Ų | 149.6 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | trans | -39.7 | 111.7 | 170.5 | -63.3 | 162.4 | 0 | 0 | 0 | 109.1 | K213 P217 | K213-I215 PolarHBondContact O-N 3.28Å; I215-P217 VanDerWaalsContact O-CD 3.3Å; I215-P217 WeakPolarHBondContact O-CD 3.44Å | ||
| 216 | R | 58.4 | Low | 61.1 | Low | 206 Ų | 206 | 151.4 Ų | 151.4 | 78% | 0.777 | 73% | 0.725 | S | S | * | * | trans | -60.2 | 115 | 170.6 | -172.7 | -179.4 | -174.8 | -162.5 | 2.4 | 107.2 | R214 K218 | R214-R216 PolarHBondContact O-N 3.2Å; R216-K218 PolarHBondContact O-N 3.05Å | ||
| 217 | P | 60.4 | Low | 60.1 | Low | 106 Ų | 106 | 154 Ų | 154 | 69% | 0.688 | 74% | 0.738 | S | S | * | * | trans | -60.3 | 138.1 | 176.5 | 23 | -30 | 0 | 0 | 0 | 108.8 | I215 L219 | I215-P217 VanDerWaalsContact O-CD 3.3Å; I215-P217 WeakPolarHBondContact O-CD 3.44Å; P217-L219 PolarHBondContact O-N 3.19Å | ||
| 218 | K | 63.3 | Low | 59.1 | Low | 208 Ų | 208 | 156.4 Ų | 156.4 | 90% | 0.904 | 75% | 0.751 | S | S | * | * | trans | -57.3 | 108.1 | 176.4 | -76.7 | 179 | 173.1 | 173.7 | 0 | 108.7 | R216 S220 | R216-K218 PolarHBondContact O-N 3.05Å; K218-S220 PolarHBondContact O-N 2.95Å; K218-S220 VanDerWaalsContact O-N 3.13Å | ||
| 219 | L | 57.6 | Low | 58.2 | Low | 113 Ų | 113 | 158.3 Ų | 158.3 | 59% | 0.592 | 76% | 0.757 | S | S | * | * | trans | -68.8 | 99 | 164.8 | -92.2 | 145.1 | 0 | 0 | 0 | 107.6 | P217 F221 | P217-L219 PolarHBondContact O-N 3.19Å; L219-F221 HydrophobicContact CB-CD2 4.48Å; L219-F221 HydrophobicContact CB-CE2 4.01Å; L219-F221 HydrophobicContact CB-CZ 4.38Å; L219-F221 PolarHBondContact O-N 3.29Å | ||
| 220 | S | 67 | Low | 57.4 | Low | 112 Ų | 112 | 159.8 Ų | 159.8 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -77.1 | 108.3 | 161.2 | 45 | 0 | 0 | 0 | 0 | 108.3 | K218 | K218-S220 PolarHBondContact O-N 2.95Å; K218-S220 VanDerWaalsContact O-N 3.13Å | ||
| 221 | F | 65.9 | Low | 56.7 | Low | 166 Ų | 166 | 163.6 Ų | 163.6 | 73% | 0.728 | 78% | 0.777 | S | S | * | * | trans | -78.4 | 117.5 | 167.5 | -65.4 | -87.9 | 0 | 0 | 0 | 108.7 | L219 | L219-F221 HydrophobicContact CB-CD2 4.48Å; L219-F221 HydrophobicContact CB-CE2 4.01Å; L219-F221 HydrophobicContact CB-CZ 4.38Å; L219-F221 PolarHBondContact O-N 3.29Å | ||
| 222 | T | 54.8 | Low | 56.2 | Low | 141 Ų | 141 | 168.9 Ų | 168.9 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | trans | -94 | 98.7 | 154.3 | 49.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 223 | L | 49.3 | Very low | 56 | Low | 139 Ų | 139 | 169.8 Ų | 169.8 | 73% | 0.728 | 81% | 0.807 | S | S | * | * | trans | -76 | 123 | 165.2 | -91.6 | 145.3 | 0 | 0 | 0 | 108.5 | ||||
| 224 | K | 39.4 | Very low | 55.8 | Low | 187 Ų | 187 | 168.3 Ų | 168.3 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | 72.9 | 114.3 | 154.1 | -56.1 | 177.7 | 176.7 | -176.8 | 0 | 118.1 | ||||
| 225 | K | 44.7 | Very low | 55.8 | Low | 284 Ų | 284 | 164.9 Ų | 164.9 | 100% | 1.235 | 81% | 0.808 | S | S | * | * | -142.2 | 0 | 89.3 | -88.7 | -172.3 | -178.9 | 179.8 | 0 | 109.3 |
Retrieved 225 of 225 residues in 410.7 ms
(Link to these results)