| 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 | I | 39.3 | Very low | 41.6 | Very low | 214 Ų | 214 | 153 Ų | 153 | 100% | 1.097 | 82% | 0.815 | S | S | * | * | 0 | 122.6 | 0 | -74 | 172.3 | 0 | 0 | 0 | 107.1 | |||||
| 2 | F | 37.9 | Very low | 41.3 | Very low | 201 Ų | 201 | 149.6 Ų | 149.6 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | 35.5 | 127.8 | 169.6 | -75.3 | -85.2 | 0 | 0 | 0 | 123 | ||||
| 3 | F | 50.8 | Low | 40.9 | Very low | 182 Ų | 182 | 146.5 Ų | 146.5 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | trans | -58.1 | 155.4 | 161.7 | -77.5 | -114.9 | 0 | 0 | 0 | 112.9 | ||||
| 4 | H | 40.5 | Very low | 41.2 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 89% | 0.889 | 81% | 0.805 | S | S | * | * | trans | -151.2 | 129.1 | 131.2 | -115.1 | 57.3 | 0 | 0 | 0 | 112.3 | ||||
| 5 | S | 43.9 | Very low | 40.9 | Very low | 87 Ų | 87 | 143.8 Ų | 143.8 | 61% | 0.608 | 81% | 0.809 | S | S | * | * | trans | -108.9 | 153.9 | 165.2 | -55.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 6 | P | 54.8 | Low | 40.9 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -109.3 | 101.4 | 145.8 | 29.3 | -16.8 | 0 | 0 | 0 | 107.9 | ||||
| 7 | V | 36.6 | Very low | 40.9 | Very low | 117 Ų | 117 | 147 Ų | 147 | 71% | 0.709 | 81% | 0.807 | S | S | * | * | 57.6 | 85.1 | 91 | -175.3 | 0 | 0 | 0 | 0 | 112.2 | C9 | V7-C9 PolarHBondContact O-N 2.61Š| |||
| 8 | L | 38.2 | Very low | 40.5 | Very low | 170 Ų | 170 | 152.3 Ų | 152.3 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | trans | -69.3 | 107.1 | 155.9 | -93.5 | 149.8 | 0 | 0 | 0 | 108.6 | ||||
| 9 | C | 34.1 | Very low | 40.4 | Very low | 110 Ų | 110 | 151.5 Ų | 151.5 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | trans | -97.7 | 98.3 | 169.9 | -105.9 | 0 | 0 | 0 | 0 | 110.1 | V7 P11 | V7-C9 PolarHBondContact O-N 2.61Å; C9-P11 WeakPolarHBondContact O-CD 3.13Å | ||
| 10 | H | 39.7 | Very low | 40.1 | Very low | 168 Ų | 168 | 149.1 Ų | 149.1 | 78% | 0.778 | 81% | 0.805 | S | S | * | * | trans | -71.9 | 138.2 | 154.6 | -80.3 | -60.1 | 0 | 0 | 0 | 109.6 | ||||
| 11 | P | 41.4 | Very low | 40.1 | Very low | 119 Ų | 119 | 147.6 Ų | 147.6 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -102.9 | 96.6 | 138.7 | 31.3 | -24.7 | 0 | 0 | 0 | 108.3 | C9 S13 | C9-P11 WeakPolarHBondContact O-CD 3.13Å; P11-S13 PolarHBondContact O-N 3.43Å | ||
| 12 | S | 38.1 | Very low | 39.8 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -75.2 | 111.1 | 158.9 | -173.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 13 | S | 35.7 | Very low | 39.6 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -141.2 | 84.8 | 167.6 | -83.3 | 0 | 0 | 0 | 0 | 109 | P11 N15 | P11-S13 PolarHBondContact O-N 3.43Å; S13-N15 PolarHBondContact O-N 2.79Å | ||
| 14 | A | 45.6 | Very low | 39.1 | Very low | 91 Ų | 91 | 137.5 Ų | 137.5 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -62.3 | 116.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 15 | N | 37 | Very low | 38.8 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | -122.1 | 74.8 | 161.5 | -103.6 | -19 | 0 | 0 | 0 | 108.4 | S13 F17 | S13-N15 PolarHBondContact O-N 2.79Å; N15-F17 PolarHBondContact O-N 3.21Å | ||
| 16 | M | 40.2 | Very low | 38.9 | Very low | 173 Ų | 173 | 137.8 Ų | 137.8 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | -65.7 | 122.4 | 161.3 | -84.8 | -168.2 | 177.6 | 0 | 0 | 109.1 | ||||
| 17 | F | 40.8 | Very low | 37.9 | Very low | 169 Ų | 169 | 135.1 Ų | 135.1 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | 19.8 | 102.6 | 149.3 | -62.8 | -82.1 | 0 | 0 | 0 | 117.6 | N15 | N15-F17 PolarHBondContact O-N 3.21Š| ||
| 18 | R | 33.7 | Very low | 38.4 | Very low | 243 Ų | 243 | 134.9 Ų | 134.9 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -106.1 | 90.4 | 131.9 | -83.1 | -169.7 | 170.8 | -155.4 | -1.8 | 109.2 | S20 | R18-S20 PolarHBondContact O-N 3.12Š| ||
| 19 | N | 38.6 | Very low | 38.8 | Very low | 136 Ų | 136 | 129.9 Ų | 129.9 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -65.4 | 82.1 | 155.1 | -79.5 | -2.8 | 0 | 0 | 0 | 107.8 | S21 | N19-S21 VanDerWaalsContact C-N 3.35Å; N19-S21 PolarHBondContact O-N 3.27Å; N19-S21 VanDerWaalsContact O-N 3.12Å | ||
| 20 | S | 35 | Very low | 38.9 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -75 | 94.7 | 164.4 | -178.3 | 0 | 0 | 0 | 0 | 107 | R18 A22 | R18-S20 PolarHBondContact O-N 3.12Å; S20-A22 PolarHBondContact O-N 3.2Å | ||
| 21 | S | 40.8 | Very low | 39.3 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -59.5 | 90.5 | 166.5 | -61.9 | 0 | 0 | 0 | 0 | 109 | N19 S23 | N19-S21 VanDerWaalsContact C-N 3.35Å; N19-S21 PolarHBondContact O-N 3.27Å; N19-S21 VanDerWaalsContact O-N 3.12Å; S21-S23 PolarHBondContact O-N 3.05Å | ||
| 22 | A | 33.3 | Very low | 39.3 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -67.2 | 106.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | S20 | S20-A22 PolarHBondContact O-N 3.2Š| ||
| 23 | S | 33.9 | Very low | 39.1 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -25.2 | 135 | 170.5 | -173.5 | 0 | 0 | 0 | 0 | 114.1 | S21 Y25 | S21-S23 PolarHBondContact O-N 3.05Å; S23-Y25 PolarHBondContact O-N 3.36Å | ||
| 24 | M | 39.3 | Very low | 39.5 | Very low | 189 Ų | 189 | 133.5 Ų | 133.5 | 93% | 0.931 | 80% | 0.799 | S | S | * | * | trans | -55 | 105.1 | 160.8 | -66.5 | -178.9 | 93 | 0 | 0 | 108.6 | ||||
| 25 | Y | 34.4 | Very low | 39.1 | Very low | 215 Ų | 215 | 133.1 Ų | 133.1 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -96.1 | 108.1 | 160.1 | -151.5 | -94.2 | 0 | 0 | 0 | 107.1 | S23 G27 | S23-Y25 PolarHBondContact O-N 3.36Å; Y25-G27 VanDerWaalsContact C-N 3.33Å; Y25-G27 PolarHBondContact O-N 3.47Å | ||
| 26 | G | 45.4 | Very low | 39 | Very low | 69 Ų | 69 | 130 Ų | 130 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | -62.4 | 93.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | A28 | G26-A28 VanDerWaalsContact C-N 3.26Å; G26-A28 PolarHBondContact O-N 3.35Å | ||
| 27 | G | 33.2 | Very low | 38.8 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -71.8 | 75.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y25 G29 | Y25-G27 VanDerWaalsContact C-N 3.33Å; Y25-G27 PolarHBondContact O-N 3.47Å; G27-G29 PolarHBondContact O-N 2.95Å | ||
| 28 | A | 48.5 | Very low | 38.7 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 93% | 0.926 | 78% | 0.782 | S | S | * | * | trans | -63.5 | 87.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | G26 | G26-A28 VanDerWaalsContact C-N 3.26Å; G26-A28 PolarHBondContact O-N 3.35Å | ||
| 29 | G | 46.6 | Very low | 38.9 | Very low | 65 Ų | 65 | 117 Ų | 117 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | trans | -158 | 10.8 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | G27 R31 | G27-G29 PolarHBondContact O-N 2.95Å; G29-R31 PolarHBondContact O-N 3.08Å; G29-R31 VanDerWaalsContact O-N 3.12Å | ||
| 30 | G | 36.2 | Very low | 39.3 | Very low | 76 Ų | 76 | 116.7 Ų | 116.7 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | trans | -73 | 97.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G32 | G30-G32 PolarHBondContact O-N 3.45Š| ||
| 31 | R | 47.5 | Very low | 39.6 | Very low | 260 Ų | 260 | 118 Ų | 118 | 98% | 0.981 | 76% | 0.757 | S | S | * | * | trans | -65.6 | 101.9 | 171.3 | -72.9 | -176.7 | 173.7 | -146.8 | -0.7 | 109.9 | G29 | G29-R31 PolarHBondContact O-N 3.08Å; G29-R31 VanDerWaalsContact O-N 3.12Å | ||
| 32 | G | 41.7 | Very low | 39.8 | Very low | 61 Ų | 61 | 115.6 Ų | 115.6 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | trans | 163.6 | 26.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | G30 K34 | G30-G32 PolarHBondContact O-N 3.45Å; G32-K34 PolarHBondContact O-N 3.06Å | ||
| 33 | A | 33.8 | Very low | 40.3 | Very low | 106 Ų | 106 | 117.3 Ų | 117.3 | 88% | 0.876 | 75% | 0.746 | S | S | * | * | trans | -66.6 | 84.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | A35 | A33-A35 PolarHBondContact O-N 3.24Š| ||
| 34 | K | 43.3 | Very low | 40.9 | Very low | 190 Ų | 190 | 121.1 Ų | 121.1 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | trans | -77.4 | 77.2 | 170.2 | -71.5 | -175.1 | -179.9 | 174.9 | 0 | 109.2 | G32 S36 | G32-K34 PolarHBondContact O-N 3.06Å; K34-S36 PolarHBondContact O-N 3.3Å | ||
| 35 | A | 38.1 | Very low | 41.2 | Very low | 84 Ų | 84 | 119.5 Ų | 119.5 | 69% | 0.694 | 74% | 0.739 | S | S | * | * | trans | -68.7 | 114.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | A33 V37 | A33-A35 PolarHBondContact O-N 3.24Å; A35-V37 PolarHBondContact O-N 3.42Å | ||
| 36 | S | 34.1 | Very low | 41.6 | Very low | 96 Ų | 96 | 115.4 Ų | 115.4 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | trans | -66.5 | 104.4 | 174.3 | -61.9 | 0 | 0 | 0 | 0 | 110 | K34 S38 | K34-S36 PolarHBondContact O-N 3.3Å; S36-S38 PolarHBondContact O-N 2.91Å | ||
| 37 | V | 37.6 | Very low | 41.3 | Very low | 132 Ų | 132 | 118.6 Ų | 118.6 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | trans | -81.2 | 106 | 167.5 | -179.8 | 0 | 0 | 0 | 0 | 107.8 | A35 S39 | A35-V37 PolarHBondContact O-N 3.42Å; V37-S39 PolarHBondContact O-N 3.26Å | ||
| 38 | S | 37.8 | Very low | 41.5 | Very low | 100 Ų | 100 | 124 Ų | 124 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | trans | -65 | 113.5 | 168 | 53.8 | 0 | 0 | 0 | 0 | 109.2 | S36 | S36-S38 PolarHBondContact O-N 2.91Š| ||
| 39 | S | 38 | Very low | 41 | Very low | 79 Ų | 79 | 126 Ų | 126 | 55% | 0.552 | 74% | 0.738 | S | S | * | * | trans | -64.4 | 140.7 | -177.4 | -164.6 | 0 | 0 | 0 | 0 | 112.3 | V37 E41 | V37-S39 PolarHBondContact O-N 3.26Å; S39-E41 PolarHBondContact O-N 2.96Å; S39-E41 PolarHBondContact OG-OE2 3.38Å | ||
| 40 | I | 46.7 | Very low | 40.5 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 67% | 0.672 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -70.7 | -14.3 | -179.9 | -81.1 | 170.9 | 0 | 0 | 0 | 112.8 | G42 L43 | I40-G42 PolarHBondContact O-N 3.4Å; I40-G42 VanDerWaalsContact O-N 3.11Å; I40-L43 PolarHBondContact O-N 2.83Å |
| 41 | E | 40.6 | Very low | 40.7 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 62% | 0.617 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -51.5 | -32.6 | 173.9 | -100.5 | 63.9 | -128.8 | 0 | 0 | 114.2 | S39 L43 | S39-E41 PolarHBondContact O-N 2.96Å; S39-E41 PolarHBondContact OG-OE2 3.38Å; E41-L43 VanDerWaalsContact C-N 3.3Å; E41-L43 PolarHBondContact O-N 3.23Å |
| 42 | G | 45.2 | Very low | 40 | Very low | 65 Ų | 65 | 131.9 Ų | 131.9 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -70.2 | -17 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | I40 | I40-G42 PolarHBondContact O-N 3.4Å; I40-G42 VanDerWaalsContact O-N 3.11Å |
| 43 | L | 43.9 | Very low | 39.8 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -100.8 | -5.2 | -170.5 | -74.6 | 168.8 | 0 | 0 | 0 | 114.9 | I40 E41 | I40-L43 PolarHBondContact O-N 2.83Å; E41-L43 VanDerWaalsContact C-N 3.3Å; E41-L43 PolarHBondContact O-N 3.23Å |
| 44 | R | 47.1 | Very low | 39.8 | Very low | 184 Ų | 184 | 138.8 Ų | 138.8 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -77.2 | -25.4 | -175.1 | -97.6 | -177 | -178.5 | 141.7 | 2.1 | 115.4 | V46 | R44-V46 PolarHBondContact O-N 2.89Š|
| 45 | N | 44.7 | Very low | 39.5 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -87.2 | 0.1 | -167.3 | -71.6 | 0.8 | 0 | 0 | 0 | 115.3 | ||
| 46 | V | 43.8 | Very low | 39.3 | Very low | 129 Ų | 129 | 136 Ų | 136 | 78% | 0.782 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -105.6 | -5.4 | -175 | -175.5 | 0 | 0 | 0 | 0 | 113 | R44 | R44-V46 PolarHBondContact O-N 2.89Š|
| 47 | L | 39.6 | Very low | 39.3 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | trans | -118 | 41.4 | -172.6 | -78.4 | 167.4 | 0 | 0 | 0 | 114.4 | ||||
| 48 | H | 37.4 | Very low | 39.1 | Very low | 180 Ų | 180 | 136 Ų | 136 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | trans | -129.4 | 72 | 173.5 | -107.2 | 35.3 | 0 | 0 | 0 | 113.2 | ||||
| 49 | N | 38.3 | Very low | 39 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | -91.1 | 114.5 | 155.1 | -94 | -13.2 | 0 | 0 | 0 | 108.6 | ||||
| 50 | K | 34.6 | Very low | 38.9 | Very low | 200 Ų | 200 | 140.6 Ų | 140.6 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | trans | -101.7 | 107.5 | 172.3 | -166.3 | 173.1 | -175.4 | 179.3 | 0 | 109 | ||||
| 51 | I | 39.9 | Very low | 38.2 | Very low | 138 Ų | 138 | 139.7 Ų | 139.7 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | trans | -76.3 | 122 | 177.1 | -63.2 | 167.6 | 0 | 0 | 0 | 108.2 | ||||
| 52 | E | 34.5 | Very low | 37.7 | Very low | 186 Ų | 186 | 139.7 Ų | 139.7 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | -78.7 | 124.6 | 166.1 | -68.4 | -172.5 | 139.5 | 0 | 0 | 108.7 | ||||
| 53 | N | 37.6 | Very low | 37.1 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -99.8 | 110.8 | 176.3 | -77.8 | -29.9 | 0 | 0 | 0 | 109.7 | ||||
| 54 | D | 32.8 | Very low | 36.9 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -65.2 | 155.1 | 162.8 | -88.9 | -39 | 0 | 0 | 0 | 111 | ||||
| 55 | S | 36.4 | Very low | 36.1 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -135.4 | 143.7 | 169 | -79.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 56 | A | 34.4 | Very low | 35.4 | Very low | 95 Ų | 95 | 136 Ų | 136 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 159.5 | -155 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 57 | P | 34.8 | Very low | 34.7 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 147.4 | 175.3 | 32.8 | -35.4 | 0 | 0 | 0 | 112.8 | ||
| 58 | A | 31.7 | Very low | 34.4 | Very low | 99 Ų | 99 | 132.9 Ų | 132.9 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 157.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 59 | I | 36.5 | Very low | 34.4 | Very low | 152 Ų | 152 | 132.1 Ų | 132.1 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -83 | 142.7 | -176.9 | -59.7 | 156.4 | 0 | 0 | 0 | 110.6 | ||
| 60 | P | 35.8 | Very low | 34.5 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 142.5 | 163.1 | 34.9 | -30.3 | 0 | 0 | 0 | 112 | ||
| 61 | T | 32.2 | Very low | 34.7 | Very low | 112 Ų | 112 | 127 Ų | 127 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | trans | -121.1 | 131.5 | -170.9 | -51.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 62 | T | 31 | Very low | 34.5 | Very low | 132 Ų | 132 | 126 Ų | 126 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | 58.1 | 131.8 | 157.2 | 52.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 63 | A | 31.6 | Very low | 34.5 | Very low | 84 Ų | 84 | 122.6 Ų | 122.6 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | trans | -77.5 | 175.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 64 | P | 39.5 | Very low | 34.9 | Very low | 118 Ų | 118 | 121.5 Ų | 121.5 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | -132.5 | 148.2 | 79.2 | 25.4 | -5.7 | 0 | 0 | 0 | 114.2 | |||||
| 65 | V | 31.1 | Very low | 35 | Very low | 123 Ų | 123 | 117.6 Ų | 117.6 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | 37.7 | 127.9 | 93 | -132.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 66 | T | 29 | Very low | 34.9 | Very low | 132 Ų | 132 | 121.2 Ų | 121.2 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | cis | -153.4 | 168.2 | 23.5 | -23.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 67 | A | 29.1 | Very low | 35 | Very low | 93 Ų | 93 | 120.5 Ų | 120.5 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | cis | -151.3 | -153.2 | 10.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 68 | S | 34.1 | Very low | 35.3 | Very low | 105 Ų | 105 | 118.8 Ų | 118.8 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -151 | 162.9 | 176.2 | 57.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 69 | Q | 37.6 | Very low | 36.2 | Very low | 164 Ų | 164 | 120.4 Ų | 120.4 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | trans | 90.1 | 165.6 | 161.2 | -48.8 | -140.6 | -23.4 | 0 | 0 | 118.6 | ||||
| 70 | P | 41.1 | Very low | 36.9 | Very low | 95 Ų | 95 | 119.2 Ų | 119.2 | 62% | 0.617 | 76% | 0.757 | S | S | * | * | -137.6 | -179.4 | -66.5 | 41.7 | -25.7 | 0 | 0 | 0 | 114.1 | |||||
| 71 | N | 38.6 | Very low | 37.7 | Very low | 155 Ų | 155 | 117.3 Ų | 117.3 | 83% | 0.829 | 74% | 0.737 | S | S | * | * | trans | -46.6 | 147.8 | 174.4 | -62.2 | -5.2 | 0 | 0 | 0 | 115.5 | ||||
| 72 | S | 36.2 | Very low | 38.8 | Very low | 116 Ų | 116 | 116 Ų | 116 | 81% | 0.811 | 73% | 0.726 | S | S | * | * | 155.3 | 137 | 109 | 63.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 73 | S | 33.1 | Very low | 40.1 | Very low | 114 Ų | 114 | 117.4 Ų | 117.4 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | trans | -87.2 | 175.2 | 157.2 | -59.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 74 | P | 47.5 | Very low | 41.6 | Very low | 121 Ų | 121 | 120.5 Ų | 120.5 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | cis | -142 | 179.4 | 9.7 | 43.6 | -24.6 | 0 | 0 | 0 | 118.1 | ||||
| 75 | A | 34 | Very low | 42.7 | Very low | 87 Ų | 87 | 119.4 Ų | 119.4 | 72% | 0.719 | 71% | 0.705 | S | S | * | * | trans | 67.8 | 114.3 | 143.5 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 76 | Q | 34.3 | Very low | 44.6 | Very low | 194 Ų | 194 | 119.2 Ų | 119.2 | 91% | 0.907 | 70% | 0.7 | S | S | * | * | trans | 56.7 | 113.5 | 130.4 | -73.7 | -173.2 | -25.5 | 0 | 0 | 124.5 | ||||
| 77 | A | 36.3 | Very low | 46.8 | Very low | 80 Ų | 80 | 118.4 Ų | 118.4 | 66% | 0.661 | 69% | 0.687 | S | S | * | * | 98.5 | 107.4 | 115.1 | 0 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 78 | S | 41 | Very low | 49.1 | Very low | 94 Ų | 94 | 115.9 Ų | 115.9 | 66% | 0.657 | 67% | 0.67 | S | S | * | * | 103.5 | 119.2 | 128 | 71.4 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 79 | L | 50 | Low | 51.3 | Low | 134 Ų | 134 | 116.2 Ų | 116.2 | 70% | 0.702 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -43.9 | 117.2 | -179.3 | -79.3 | 57.8 | 0 | 0 | 0 | 113 | ||
| 80 | P | 52.3 | Low | 53.5 | Low | 126 Ų | 126 | 113.4 Ų | 113.4 | 82% | 0.818 | 65% | 0.653 | S | S | * | * | S | Bend | -122.8 | 29.2 | 76.5 | 38.7 | -33 | 0 | 0 | 0 | 114.3 | |||
| 81 | E | 53.1 | Low | 55.5 | Low | 85 Ų | 85 | 113.8 Ų | 113.8 | 40% | 0.397 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68 | -32.2 | -170.5 | -83.4 | 172.9 | 129.3 | 0 | 0 | 116.7 | K83 Q84 E85 | E81-K83 PolarHBondContact O-N 3.31Å; E81-Q84 PolarHBondContact O-N 2.89Å; E81-E85 HydrophobicContact CB-CG 3.93Å; E81-E85 PolarHBondContact O-N 3.48Å |
| 82 | N | 53.8 | Low | 57.6 | Low | 83 Ų | 83 | 113.2 Ų | 113.2 | 44% | 0.444 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -48.5 | -32.3 | -163.3 | -56.5 | 8.5 | 0 | 0 | 0 | 115.8 | E85 L86 | N82-E85 WeakPolarHBondContact CA-OE2 3.3Å; N82-L86 VanDerWaalsContact O-CB 3.3Å; N82-L86 WeakPolarHBondContact O-CB 3.48Å; N82-L86 WeakPolarHBondContact O-CD1 3.41Å; N82-L86 WeakPolarHBondContact O-CG 3.48Å; N82-L86 PolarHBondContact O-N 3.46Å |
| 83 | K | 59 | Low | 60.1 | Low | 162 Ų | 162 | 112.5 Ų | 112.5 | 70% | 0.704 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -81.7 | -34.1 | -179.7 | -164 | 176 | -176.7 | 179.7 | 0 | 113.1 | E81 Q87 | E81-K83 PolarHBondContact O-N 3.31Å; K83-Q87 WeakPolarHBondContact O-CG 3.3Å; K83-Q87 PolarHBondContact O-N 3.35Å |
| 84 | Q | 63.1 | Low | 62.8 | Low | 150 Ų | 150 | 113 Ų | 113 | 70% | 0.701 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75.4 | -36.2 | 171.3 | -95.6 | 177.3 | -34.5 | 0 | 0 | 111 | E81 Q87 G88 | E81-Q84 PolarHBondContact O-N 2.89Å; Q84-Q87 PolarHBondContact O-N 3.19Å; Q84-G88 PolarHBondContact O-N 2.89Å |
| 85 | E | 62.2 | Low | 64.8 | Low | 94 Ų | 94 | 112.3 Ų | 112.3 | 44% | 0.439 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.3 | -46.5 | 170.6 | -69.6 | 178.2 | 143.2 | 0 | 0 | 111.9 | E81 N82 Q87 G88 L89 | E81-E85 HydrophobicContact CB-CG 3.93Å; E81-E85 PolarHBondContact O-N 3.48Å; N82-E85 WeakPolarHBondContact CA-OE2 3.3Å; E85-Q87 VanDerWaalsContact C-N 3.28Å; E85-Q87 PolarHBondContact O-N 3.17Å; E85-G88 PolarHBondContact O-N 3.2Å; E85-G88 VanDerWaalsContact O-N 3.16Å; E85-L89 WeakPolarHBondContact O-CB 3.39Å; E85-L89 WeakPolarHBondContact O-CG 3.48Å; E85-L89 PolarHBondContact O-N 3.43Å |
| 86 | L | 71.1 | Confident | 67.5 | Low | 119 Ų | 119 | 113.4 Ų | 113.4 | 62% | 0.623 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -58.9 | -38 | 174 | -90.7 | 161.7 | 0 | 0 | 0 | 112.3 | N82 N90 | N82-L86 VanDerWaalsContact O-CB 3.3Å; N82-L86 WeakPolarHBondContact O-CB 3.48Å; N82-L86 WeakPolarHBondContact O-CD1 3.41Å; N82-L86 WeakPolarHBondContact O-CG 3.48Å; N82-L86 PolarHBondContact O-N 3.46Å; L86-N90 VanDerWaalsContact O-CB 3.23Å; L86-N90 WeakPolarHBondContact O-CB 3.47Å; L86-N90 PolarHBondContact O-N 2.88Å |
| 87 | Q | 74.8 | Confident | 70.3 | Confident | 116 Ų | 116 | 109.8 Ų | 109.8 | 54% | 0.542 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.6 | -39.9 | 174.1 | -74.7 | 179.2 | -14.6 | 0 | 0 | 112.4 | K83 Q84 E85 N90 N91 | K83-Q87 WeakPolarHBondContact O-CG 3.3Å; K83-Q87 PolarHBondContact O-N 3.35Å; Q84-Q87 PolarHBondContact O-N 3.19Å; E85-Q87 VanDerWaalsContact C-N 3.28Å; E85-Q87 PolarHBondContact O-N 3.17Å; Q87-N90 PolarHBondContact O-N 3.38Å; Q87-N91 VanDerWaalsContact O-CB 3.31Å; Q87-N91 WeakPolarHBondContact O-CB 3.29Å; Q87-N91 PolarHBondContact O-N 2.87Å; Q87-N91 PolarHBondContact O-ND2 2.87Å |
| 88 | G | 78.8 | Confident | 72.9 | Confident | 40 Ų | 40 | 109.8 Ų | 109.8 | 41% | 0.412 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.2 | -43.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q84 E85 R92 | Q84-G88 PolarHBondContact O-N 2.89Å; E85-G88 PolarHBondContact O-N 3.2Å; E85-G88 VanDerWaalsContact O-N 3.16Å; G88-R92 VanDerWaalsContact O-CB 3.22Å; G88-R92 WeakPolarHBondContact O-CB 3.26Å; G88-R92 PolarHBondContact O-N 2.74Å |
| 89 | L | 80.5 | Confident | 75.4 | Confident | 111 Ų | 111 | 110.1 Ų | 110.1 | 58% | 0.581 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.2 | -42.7 | 173.6 | -75.3 | 166.5 | 0 | 0 | 0 | 111.8 | E85 R92 L93 | E85-L89 WeakPolarHBondContact O-CB 3.39Å; E85-L89 WeakPolarHBondContact O-CG 3.48Å; E85-L89 PolarHBondContact O-N 3.43Å; L89-R92 PolarHBondContact O-N 2.91Å; L89-L93 WeakPolarHBondContact O-CB 3.22Å; L89-L93 PolarHBondContact O-N 3Å |
| 90 | N | 82.1 | Confident | 77.5 | Confident | 105 Ų | 105 | 107.2 Ų | 107.2 | 56% | 0.561 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71 | -38.3 | 179.3 | -156.2 | -8.8 | 0 | 0 | 0 | 111.9 | L86 Q87 L93 K94 | L86-N90 VanDerWaalsContact O-CB 3.23Å; L86-N90 WeakPolarHBondContact O-CB 3.47Å; L86-N90 PolarHBondContact O-N 2.88Å; Q87-N90 PolarHBondContact O-N 3.38Å; N90-L93 PolarHBondContact O-N 3.49Å; N90-K94 WeakPolarHBondContact O-CB 3.39Å; N90-K94 PolarHBondContact O-N 2.96Å |
| 91 | N | 83.3 | Confident | 79.4 | Confident | 104 Ų | 104 | 106.6 Ų | 106.6 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.7 | -40.2 | 170.4 | -72.6 | -22.4 | 0 | 0 | 0 | 111.7 | Q87 K94 N95 | Q87-N91 VanDerWaalsContact O-CB 3.31Å; Q87-N91 WeakPolarHBondContact O-CB 3.29Å; Q87-N91 PolarHBondContact O-N 2.87Å; Q87-N91 PolarHBondContact O-ND2 2.87Å; N91-K94 PolarHBondContact O-N 3.14Å; N91-N95 VanDerWaalsContact O-CG 3.27Å; N91-N95 PolarHBondContact O-N 3.04Å; N91-N95 PolarHBondContact O-OD1 3.42Å |
| 92 | R | 84.1 | Confident | 81.4 | Confident | 142 Ų | 142 | 106.9 Ų | 106.9 | 54% | 0.536 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.5 | -39.7 | 175.5 | -170.4 | 176.4 | 176.8 | 170.1 | -2.7 | 111.6 | G88 L89 N95 Y96 | G88-R92 VanDerWaalsContact O-CB 3.22Å; G88-R92 WeakPolarHBondContact O-CB 3.26Å; G88-R92 PolarHBondContact O-N 2.74Å; L89-R92 PolarHBondContact O-N 2.91Å; R92-N95 PolarHBondContact O-N 3.5Å; R92-Y96 HydrophobicContact CG-CD2 3.97Å; R92-Y96 HydrophobicContact CG-CE2 3.6Å; R92-Y96 PolarHBondContact NE-OH 3.47Å; R92-Y96 PolarHBondContact NH2-OH 3.04Å; R92-Y96 VanDerWaalsContact NH2-OH 3.1Å; R92-Y96 WeakPolarHBondContact O-CD2 3.46Å; R92-Y96 PolarHBondContact O-N 2.97Å |
| 93 | L | 88.4 | Confident | 83.3 | Confident | 102 Ų | 102 | 107 Ų | 107 | 53% | 0.534 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 173.1 | 179.4 | 63.9 | 0 | 0 | 0 | 111.2 | L89 N90 Y96 L97 | L89-L93 WeakPolarHBondContact O-CB 3.22Å; L89-L93 PolarHBondContact O-N 3Å; N90-L93 PolarHBondContact O-N 3.49Å; L93-Y96 PolarHBondContact O-N 3.11Å; L93-L97 WeakPolarHBondContact O-CB 3.33Å; L93-L97 PolarHBondContact O-N 3Å |
| 94 | K | 89.1 | Confident | 85 | Confident | 124 Ų | 124 | 106.2 Ų | 106.2 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.1 | -48.9 | 173.5 | -175.1 | -177.9 | 175 | -174.5 | 0 | 111.3 | N90 N91 Y96 L97 D98 | N90-K94 WeakPolarHBondContact O-CB 3.39Å; N90-K94 PolarHBondContact O-N 2.96Å; N91-K94 PolarHBondContact O-N 3.14Å; K94-Y96 VanDerWaalsContact C-N 3.28Å; K94-Y96 PolarHBondContact O-N 3.01Å; K94-L97 WeakPolarHBondContact O-CB 3.47Å; K94-L97 PolarHBondContact O-N 3.24Å; K94-D98 WeakPolarHBondContact O-CB 3.25Å; K94-D98 VanDerWaalsContact O-CG 3.31Å; K94-D98 PolarHBondContact O-N 2.84Å |
| 95 | N | 89.8 | Confident | 86.4 | Confident | 106 Ų | 106 | 103.5 Ų | 103.5 | 57% | 0.567 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.6 | -36.2 | 176.1 | -69.5 | -4.3 | 0 | 0 | 0 | 112.4 | N91 R92 K99 | N91-N95 VanDerWaalsContact O-CG 3.27Å; N91-N95 PolarHBondContact O-N 3.04Å; N91-N95 PolarHBondContact O-OD1 3.42Å; R92-N95 PolarHBondContact O-N 3.5Å; N95-K99 VanDerWaalsContact O-CB 3.24Å; N95-K99 WeakPolarHBondContact O-CB 3.37Å; N95-K99 PolarHBondContact O-N 3.38Å |
| 96 | Y | 91.4 | Very high | 88 | Confident | 111 Ų | 111 | 101.7 Ų | 101.7 | 44% | 0.435 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 171.6 | -79.5 | -57.6 | 0 | 0 | 0 | 112.1 | R92 L93 K94 K99 V100 | R92-Y96 HydrophobicContact CG-CD2 3.97Å; R92-Y96 HydrophobicContact CG-CE2 3.6Å; R92-Y96 PolarHBondContact NE-OH 3.47Å; R92-Y96 PolarHBondContact NH2-OH 3.04Å; R92-Y96 VanDerWaalsContact NH2-OH 3.1Å; R92-Y96 WeakPolarHBondContact O-CD2 3.46Å; R92-Y96 PolarHBondContact O-N 2.97Å; L93-Y96 PolarHBondContact O-N 3.11Å; K94-Y96 VanDerWaalsContact C-N 3.28Å; K94-Y96 PolarHBondContact O-N 3.01Å; Y96-K99 PolarHBondContact O-N 2.85Å; Y96-V100 WeakPolarHBondContact O-CB 3.2Å; Y96-V100 VanDerWaalsContact O-CG2 3.28Å; Y96-V100 WeakPolarHBondContact O-CG2 3.44Å; Y96-V100 PolarHBondContact O-N 2.93Å |
| 97 | L | 91.5 | Very high | 89 | Confident | 117 Ų | 117 | 100.9 Ų | 100.9 | 61% | 0.613 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.1 | -47.4 | 178 | -146 | 79.3 | 0 | 0 | 0 | 111.2 | L93 K94 K99 V100 Q101 | L93-L97 WeakPolarHBondContact O-CB 3.33Å; L93-L97 PolarHBondContact O-N 3Å; K94-L97 WeakPolarHBondContact O-CB 3.47Å; K94-L97 PolarHBondContact O-N 3.24Å; L97-K99 VanDerWaalsContact C-N 3.3Å; L97-K99 PolarHBondContact O-N 3.43Å; L97-V100 PolarHBondContact O-N 2.88Å; L97-Q101 PolarHBondContact O-N 2.75Å |
| 98 | D | 92.4 | Very high | 89.9 | Confident | 81 Ų | 81 | 97.9 Ų | 97.9 | 43% | 0.433 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60 | -40.7 | 175.1 | -66.3 | -18 | 0 | 0 | 0 | 110.4 | K94 Q101 Q102 | K94-D98 WeakPolarHBondContact O-CB 3.25Å; K94-D98 VanDerWaalsContact O-CG 3.31Å; K94-D98 PolarHBondContact O-N 2.84Å; D98-Q101 PolarHBondContact O-N 3.28Å; D98-Q102 PolarHBondContact O-N 3.37Å |
| 99 | K | 93.1 | Very high | 90.7 | Very high | 100 Ų | 100 | 101.6 Ų | 101.6 | 44% | 0.435 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.2 | -38.2 | 176.1 | -170.4 | 66.7 | -166.6 | 171.9 | 0 | 113 | N95 Y96 L97 Q101 Q102 L103 | N95-K99 VanDerWaalsContact O-CB 3.24Å; N95-K99 WeakPolarHBondContact O-CB 3.37Å; N95-K99 PolarHBondContact O-N 3.38Å; Y96-K99 PolarHBondContact O-N 2.85Å; L97-K99 VanDerWaalsContact C-N 3.3Å; L97-K99 PolarHBondContact O-N 3.43Å; K99-Q101 VanDerWaalsContact C-N 3.33Å; K99-Q102 PolarHBondContact O-N 3.33Å; K99-L103 HydrophobicContact CG-CD1 4.23Å; K99-L103 WeakPolarHBondContact O-CB 3.41Å; K99-L103 VanDerWaalsContact O-CG 3.27Å; K99-L103 WeakPolarHBondContact O-CG 3.26Å; K99-L103 PolarHBondContact O-N 2.92Å |
| 100 | V | 93.8 | Very high | 91.3 | Very high | 74 Ų | 74 | 100.8 Ų | 100.8 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -37.6 | 173.8 | 165.9 | 0 | 0 | 0 | 0 | 110.8 | Y96 L97 K104 | Y96-V100 WeakPolarHBondContact O-CB 3.2Å; Y96-V100 VanDerWaalsContact O-CG2 3.28Å; Y96-V100 WeakPolarHBondContact O-CG2 3.44Å; Y96-V100 PolarHBondContact O-N 2.93Å; L97-V100 PolarHBondContact O-N 2.88Å; V100-K104 HydrophobicContact CG1-CD 4.39Å; V100-K104 WeakPolarHBondContact O-CG 3.21Å; V100-K104 PolarHBondContact O-N 2.92Å |
| 101 | Q | 92.9 | Very high | 91.8 | Very high | 113 Ų | 113 | 100.6 Ų | 100.6 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 174.3 | -176.1 | 169.7 | -23.6 | 0 | 0 | 111.3 | L97 D98 K99 L103 K104 E105 | L97-Q101 PolarHBondContact O-N 2.75Å; D98-Q101 PolarHBondContact O-N 3.28Å; K99-Q101 VanDerWaalsContact C-N 3.33Å; Q101-L103 VanDerWaalsContact C-N 3.34Å; Q101-L103 PolarHBondContact O-N 2.72Å; Q101-K104 WeakPolarHBondContact O-CB 3.37Å; Q101-K104 PolarHBondContact O-N 3.32Å; Q101-K104 VanDerWaalsContact O-N 3.09Å; Q101-E105 PolarHBondContact NE2-OE1 3.01Å; Q101-E105 PolarHBondContact O-N 3.32Å |
| 102 | Q | 95 | Very high | 92.4 | Very high | 91 Ų | 91 | 102.9 Ų | 102.9 | 43% | 0.425 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56.3 | -46.9 | 174.2 | -172.1 | -177.9 | 40 | 0 | 0 | 111.7 | D98 K99 K104 E105 D106 | D98-Q102 PolarHBondContact O-N 3.37Å; K99-Q102 PolarHBondContact O-N 3.33Å; Q102-K104 VanDerWaalsContact C-N 3.3Å; Q102-K104 PolarHBondContact O-N 2.87Å; Q102-E105 PolarHBondContact O-N 3.5Å; Q102-D106 WeakPolarHBondContact O-CB 3.18Å; Q102-D106 PolarHBondContact O-N 2.88Å |
| 103 | L | 93.3 | Very high | 92.8 | Very high | 85 Ų | 85 | 101.6 Ų | 101.6 | 45% | 0.445 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.1 | -29.3 | 177.7 | -72.9 | 170.7 | 0 | 0 | 0 | 113.2 | K99 Q101 N107 | K99-L103 HydrophobicContact CG-CD1 4.23Å; K99-L103 WeakPolarHBondContact O-CB 3.41Å; K99-L103 VanDerWaalsContact O-CG 3.27Å; K99-L103 WeakPolarHBondContact O-CG 3.26Å; K99-L103 PolarHBondContact O-N 2.92Å; Q101-L103 VanDerWaalsContact C-N 3.34Å; Q101-L103 PolarHBondContact O-N 2.72Å; L103-N107 VanDerWaalsContact O-CB 3.3Å; L103-N107 WeakPolarHBondContact O-CB 3.06Å; L103-N107 PolarHBondContact O-N 2.96Å; L103-N107 PolarHBondContact O-ND2 3.21Å |
| 104 | K | 93.6 | Very high | 92.8 | Very high | 146 Ų | 146 | 100.7 Ų | 100.7 | 64% | 0.635 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71.2 | -43 | 172 | -78.9 | 176.2 | 177 | -177.7 | 0 | 111.7 | V100 Q101 Q102 A108 | V100-K104 HydrophobicContact CG1-CD 4.39Å; V100-K104 WeakPolarHBondContact O-CG 3.21Å; V100-K104 PolarHBondContact O-N 2.92Å; Q101-K104 WeakPolarHBondContact O-CB 3.37Å; Q101-K104 PolarHBondContact O-N 3.32Å; Q101-K104 VanDerWaalsContact O-N 3.09Å; Q102-K104 VanDerWaalsContact C-N 3.3Å; Q102-K104 PolarHBondContact O-N 2.87Å; K104-A108 WeakPolarHBondContact O-CB 3.2Å; K104-A108 PolarHBondContact O-N 3.31Å |
| 105 | E | 94.4 | Very high | 92.8 | Very high | 93 Ų | 93 | 98.7 Ų | 98.7 | 44% | 0.435 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 176.5 | -70.8 | 175.4 | -158.1 | 0 | 0 | 111.6 | Q101 Q102 A108 K109 | Q101-E105 PolarHBondContact NE2-OE1 3.01Å; Q101-E105 PolarHBondContact O-N 3.32Å; Q102-E105 PolarHBondContact O-N 3.5Å; E105-A108 PolarHBondContact O-N 2.85Å; E105-K109 VanDerWaalsContact O-CG 3.32Å; E105-K109 WeakPolarHBondContact O-CG 3.17Å; E105-K109 PolarHBondContact O-N 3.47Å |
| 106 | D | 94.4 | Very high | 92.8 | Very high | 55 Ų | 55 | 97.9 Ų | 97.9 | 29% | 0.294 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.4 | -39.6 | 178.4 | -66.7 | -22.1 | 0 | 0 | 0 | 112 | Q102 A108 K109 L110 | Q102-D106 WeakPolarHBondContact O-CB 3.18Å; Q102-D106 PolarHBondContact O-N 2.88Å; D106-A108 VanDerWaalsContact C-N 3.32Å; D106-A108 PolarHBondContact O-N 3.33Å; D106-K109 PolarHBondContact O-N 3.29Å; D106-K109 IonicContact OD1-NZ 2.66Å; D106-K109 PolarHBondContact OD1-NZ 2.79Å; D106-L110 WeakPolarHBondContact O-CG 3.31Å; D106-L110 PolarHBondContact O-N 3.47Å |
| 107 | N | 91.5 | Very high | 92.5 | Very high | 102 Ų | 102 | 97 Ų | 97 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.5 | -38.9 | 169.2 | -85 | -58.8 | 0 | 0 | 0 | 112.2 | L103 K109 L110 Q111 | L103-N107 VanDerWaalsContact O-CB 3.3Å; L103-N107 WeakPolarHBondContact O-CB 3.06Å; L103-N107 PolarHBondContact O-N 2.96Å; L103-N107 PolarHBondContact O-ND2 3.21Å; N107-K109 VanDerWaalsContact C-N 3.33Å; N107-K109 PolarHBondContact O-N 2.87Å; N107-L110 PolarHBondContact O-N 3.28Å; N107-Q111 WeakPolarHBondContact O-CB 3.48Å; N107-Q111 PolarHBondContact O-N 2.88Å |
| 108 | A | 95 | Very high | 92 | Very high | 54 Ų | 54 | 96.1 Ų | 96.1 | 45% | 0.446 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.8 | -31.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | K104 E105 D106 K112 | K104-A108 WeakPolarHBondContact O-CB 3.2Å; K104-A108 PolarHBondContact O-N 3.31Å; E105-A108 PolarHBondContact O-N 2.85Å; D106-A108 VanDerWaalsContact C-N 3.32Å; D106-A108 PolarHBondContact O-N 3.33Å; A108-K112 WeakPolarHBondContact O-CG 3.3Å; A108-K112 PolarHBondContact O-N 2.94Å |
| 109 | K | 95.6 | Very high | 91.5 | Very high | 118 Ų | 118 | 95.3 Ų | 95.3 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.5 | -49.6 | 171 | -68.1 | 164.3 | -156.8 | 157.9 | 0 | 111 | E105 D106 N107 Q111 K112 E113 | E105-K109 VanDerWaalsContact O-CG 3.32Å; E105-K109 WeakPolarHBondContact O-CG 3.17Å; E105-K109 PolarHBondContact O-N 3.47Å; D106-K109 PolarHBondContact O-N 3.29Å; D106-K109 IonicContact OD1-NZ 2.66Å; D106-K109 PolarHBondContact OD1-NZ 2.79Å; N107-K109 VanDerWaalsContact C-N 3.33Å; N107-K109 PolarHBondContact O-N 2.87Å; K109-Q111 VanDerWaalsContact C-N 3.32Å; K109-Q111 PolarHBondContact O-N 3.23Å; K109-K112 WeakPolarHBondContact O-CB 3.49Å; K109-K112 PolarHBondContact O-N 2.92Å; K109-K112 VanDerWaalsContact O-N 3.17Å; K109-E113 PolarHBondContact O-N 2.87Å |
| 110 | L | 93.3 | Very high | 90.8 | Very high | 94 Ų | 94 | 97.9 Ų | 97.9 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 178.7 | -71.7 | 171.3 | 0 | 0 | 0 | 112 | D106 N107 E113 I114 | D106-L110 WeakPolarHBondContact O-CG 3.31Å; D106-L110 PolarHBondContact O-N 3.47Å; N107-L110 PolarHBondContact O-N 3.28Å; L110-E113 PolarHBondContact O-N 3.01Å; L110-I114 VanDerWaalsContact O-CG1 3.29Å; L110-I114 WeakPolarHBondContact O-CG1 3.46Å; L110-I114 PolarHBondContact O-N 3.4Å |
| 111 | Q | 92.8 | Very high | 89.8 | Confident | 100 Ų | 100 | 103.8 Ų | 103.8 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | 175.2 | -172.1 | 61.1 | 48.6 | 0 | 0 | 111.5 | N107 K109 E113 I114 D115 | N107-Q111 WeakPolarHBondContact O-CB 3.48Å; N107-Q111 PolarHBondContact O-N 2.88Å; K109-Q111 VanDerWaalsContact C-N 3.32Å; K109-Q111 PolarHBondContact O-N 3.23Å; Q111-E113 VanDerWaalsContact C-N 3.32Å; Q111-E113 PolarHBondContact O-N 2.88Å; Q111-I114 PolarHBondContact O-N 3.44Å; Q111-D115 PolarHBondContact NE2-OD1 3.5Å; Q111-D115 WeakPolarHBondContact O-CB 3.46Å; Q111-D115 PolarHBondContact O-N 2.96Å |
| 112 | K | 94.1 | Very high | 88.3 | Confident | 152 Ų | 152 | 106.8 Ų | 106.8 | 66% | 0.661 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.9 | -38.7 | 174.4 | -75 | -179.4 | 178.2 | -175.2 | 0 | 112.5 | A108 K109 D115 D116 | A108-K112 WeakPolarHBondContact O-CG 3.3Å; A108-K112 PolarHBondContact O-N 2.94Å; K109-K112 WeakPolarHBondContact O-CB 3.49Å; K109-K112 PolarHBondContact O-N 2.92Å; K109-K112 VanDerWaalsContact O-N 3.17Å; K112-D115 PolarHBondContact O-N 3.45Å; K112-D116 VanDerWaalsContact O-CB 3.29Å; K112-D116 WeakPolarHBondContact O-CB 3.24Å; K112-D116 PolarHBondContact O-N 3.21Å |
| 113 | E | 93.8 | Very high | 86.8 | Confident | 116 Ų | 116 | 106.3 Ų | 106.3 | 54% | 0.542 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67 | -39.6 | 177.2 | -171.8 | 169.4 | -163.3 | 0 | 0 | 111.7 | K109 L110 Q111 D116 I117 | K109-E113 PolarHBondContact O-N 2.87Å; L110-E113 PolarHBondContact O-N 3.01Å; Q111-E113 VanDerWaalsContact C-N 3.32Å; Q111-E113 PolarHBondContact O-N 2.88Å; E113-D116 PolarHBondContact O-N 3.4Å; E113-I117 HydrophobicContact CG-CD1 4Å; E113-I117 WeakPolarHBondContact O-CB 3.17Å; E113-I117 WeakPolarHBondContact O-CD1 3.27Å; E113-I117 WeakPolarHBondContact O-CG1 3.33Å; E113-I117 PolarHBondContact O-N 3.05Å |
| 114 | I | 88.2 | Confident | 85.3 | Confident | 83 Ų | 83 | 107.9 Ų | 107.9 | 43% | 0.426 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62 | -48.4 | 171.4 | -69.9 | 163.8 | 0 | 0 | 0 | 110.6 | L110 Q111 D116 I117 L118 | L110-I114 VanDerWaalsContact O-CG1 3.29Å; L110-I114 WeakPolarHBondContact O-CG1 3.46Å; L110-I114 PolarHBondContact O-N 3.4Å; Q111-I114 PolarHBondContact O-N 3.44Å; I114-D116 VanDerWaalsContact C-N 3.34Å; I114-D116 PolarHBondContact O-N 2.75Å; I114-I117 PolarHBondContact O-N 2.98Å; I114-L118 HydrophobicContact CG2-CD1 3.86Å; I114-L118 HydrophobicContact CG2-CG 4.36Å; I114-L118 WeakPolarHBondContact O-CB 3.29Å; I114-L118 VanDerWaalsContact O-CG 3.29Å; I114-L118 WeakPolarHBondContact O-CG 3.49Å; I114-L118 PolarHBondContact O-N 2.71Å |
| 115 | D | 88.8 | Confident | 83.9 | Confident | 81 Ų | 81 | 110 Ų | 110 | 43% | 0.433 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.5 | -41.5 | 179.9 | -63.4 | -19.7 | 0 | 0 | 0 | 111.1 | Q111 K112 L118 A119 | Q111-D115 PolarHBondContact NE2-OD1 3.5Å; Q111-D115 WeakPolarHBondContact O-CB 3.46Å; Q111-D115 PolarHBondContact O-N 2.96Å; K112-D115 PolarHBondContact O-N 3.45Å; D115-L118 PolarHBondContact O-N 3.12Å; D115-A119 VanDerWaalsContact O-CB 3.3Å; D115-A119 WeakPolarHBondContact O-CB 3.43Å; D115-A119 PolarHBondContact O-N 3.23Å |
| 116 | D | 89.3 | Confident | 82.4 | Confident | 90 Ų | 90 | 112.5 Ų | 112.5 | 48% | 0.481 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.8 | -42.9 | 172.9 | -100.1 | 19.8 | 0 | 0 | 0 | 112.4 | K112 E113 I114 A119 K120 | K112-D116 VanDerWaalsContact O-CB 3.29Å; K112-D116 WeakPolarHBondContact O-CB 3.24Å; K112-D116 PolarHBondContact O-N 3.21Å; E113-D116 PolarHBondContact O-N 3.4Å; I114-D116 VanDerWaalsContact C-N 3.34Å; I114-D116 PolarHBondContact O-N 2.75Å; D116-A119 PolarHBondContact O-N 2.93Å; D116-K120 WeakPolarHBondContact O-CB 3.36Å; D116-K120 WeakPolarHBondContact O-CD 3.48Å; D116-K120 WeakPolarHBondContact O-CG 3.29Å; D116-K120 PolarHBondContact O-N 3.35Å; D116-K120 IonicContact OD2-NZ 3.29Å; D116-K120 PolarHBondContact OD2-NZ 2.83Å |
| 117 | I | 85.5 | Confident | 81.1 | Confident | 91 Ų | 91 | 117.4 Ų | 117.4 | 47% | 0.467 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.6 | -41.7 | 177.2 | -74.2 | 165.6 | 0 | 0 | 0 | 110 | E113 I114 K120 R121 | E113-I117 HydrophobicContact CG-CD1 4Å; E113-I117 WeakPolarHBondContact O-CB 3.17Å; E113-I117 WeakPolarHBondContact O-CD1 3.27Å; E113-I117 WeakPolarHBondContact O-CG1 3.33Å; E113-I117 PolarHBondContact O-N 3.05Å; I114-I117 PolarHBondContact O-N 2.98Å; I117-K120 PolarHBondContact O-N 3.22Å; I117-R121 WeakPolarHBondContact O-CB 3.44Å; I117-R121 PolarHBondContact O-N 2.9Å |
| 118 | L | 82.1 | Confident | 80.1 | Confident | 100 Ų | 100 | 116.6 Ų | 116.6 | 52% | 0.524 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.8 | -39.4 | 176 | -69.5 | 172.8 | 0 | 0 | 0 | 111.9 | I114 D115 R121 | I114-L118 HydrophobicContact CG2-CD1 3.86Å; I114-L118 HydrophobicContact CG2-CG 4.36Å; I114-L118 WeakPolarHBondContact O-CB 3.29Å; I114-L118 VanDerWaalsContact O-CG 3.29Å; I114-L118 WeakPolarHBondContact O-CG 3.49Å; I114-L118 PolarHBondContact O-N 2.71Å; D115-L118 PolarHBondContact O-N 3.12Å; L118-R121 CarbonylContact O-C 3.21Å; L118-R121 PolarHBondContact O-N 3.34Å |
| 119 | A | 81.3 | Confident | 79.3 | Confident | 63 Ų | 63 | 121.8 Ų | 121.8 | 52% | 0.521 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.7 | -34.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | D115 D116 | D115-A119 VanDerWaalsContact O-CB 3.3Å; D115-A119 WeakPolarHBondContact O-CB 3.43Å; D115-A119 PolarHBondContact O-N 3.23Å; D116-A119 PolarHBondContact O-N 2.93Å |
| 120 | K | 78.8 | Confident | 78.7 | Confident | 155 Ų | 155 | 120.9 Ų | 120.9 | 67% | 0.674 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -73.2 | -35.6 | 171.2 | -71.6 | 161.8 | -170 | 156.2 | 0 | 111.4 | D116 I117 K122 | D116-K120 WeakPolarHBondContact O-CB 3.36Å; D116-K120 WeakPolarHBondContact O-CD 3.48Å; D116-K120 WeakPolarHBondContact O-CG 3.29Å; D116-K120 PolarHBondContact O-N 3.35Å; D116-K120 IonicContact OD2-NZ 3.29Å; D116-K120 PolarHBondContact OD2-NZ 2.83Å; I117-K120 PolarHBondContact O-N 3.22Å; K120-K122 PolarHBondContact O-N 3.18Å |
| 121 | R | 71.9 | Confident | 78.2 | Confident | 198 Ų | 198 | 123.5 Ų | 123.5 | 75% | 0.747 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 42.3 | 172.1 | -159.1 | -171.7 | -174.4 | -170.1 | 2 | 111.9 | I117 L118 A123 | I117-R121 WeakPolarHBondContact O-CB 3.44Å; I117-R121 PolarHBondContact O-N 2.9Å; L118-R121 CarbonylContact O-C 3.21Å; L118-R121 PolarHBondContact O-N 3.34Å; R121-A123 PolarHBondContact O-N 2.95Å |
| 122 | K | 62.5 | Low | 77.7 | Confident | 175 Ų | 175 | 122.6 Ų | 122.6 | 76% | 0.761 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 136.2 | 152.5 | -81.1 | 175.3 | -179.3 | -178.6 | 0 | 107.2 | K120 | K120-K122 PolarHBondContact O-N 3.18Š|
| 123 | A | 62.9 | Low | 77.5 | Confident | 82 Ų | 82 | 119.4 Ų | 119.4 | 68% | 0.678 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 138.7 | -177 | 0 | 0 | 0 | 0 | 0 | 109.7 | R121 E125 | R121-A123 PolarHBondContact O-N 2.95Å; A123-E125 PolarHBondContact O-N 3.33Å |
| 124 | P | 62.7 | Low | 77.4 | Confident | 118 Ų | 118 | 119.4 Ų | 119.4 | 77% | 0.766 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 132.3 | 176.4 | 23.5 | -33.4 | 0 | 0 | 0 | 107.9 | I126 | P124-I126 PolarHBondContact O-N 3.38Š|
| 125 | E | 63.6 | Low | 77.6 | Confident | 189 Ų | 189 | 118.7 Ų | 118.7 | 88% | 0.883 | 59% | 0.585 | S | S | * | * | trans | -45 | 122.9 | -179.1 | -72.5 | -176.6 | 142.6 | 0 | 0 | 108.4 | A123 R127 | A123-E125 PolarHBondContact O-N 3.33Å; E125-R127 VanDerWaalsContact C-N 3.31Å; E125-R127 PolarHBondContact O-N 3.36Å | ||
| 126 | I | 62.4 | Low | 77.6 | Confident | 147 Ų | 147 | 119.1 Ų | 119.1 | 75% | 0.754 | 59% | 0.585 | S | S | * | * | trans | -60.1 | 102.1 | -176.4 | -62.4 | 170.9 | 0 | 0 | 0 | 105.5 | P124 D128 | P124-I126 PolarHBondContact O-N 3.38Å; I126-D128 PolarHBondContact O-N 2.88Å | ||
| 127 | R | 66.9 | Low | 77.9 | Confident | 157 Ų | 157 | 117.7 Ų | 117.7 | 59% | 0.592 | 58% | 0.577 | S | S | * | * | trans | -55.9 | 114.9 | -176.7 | 177.8 | 173.5 | 172.3 | 171.4 | -4.8 | 106.6 | E125 W129 | E125-R127 VanDerWaalsContact C-N 3.31Å; E125-R127 PolarHBondContact O-N 3.36Å; R127-W129 PolarHBondContact O-N 2.83Å; R127-W129 PolarHBondContact O-NE1 2.92Å | ||
| 128 | D | 71.9 | Confident | 78.3 | Confident | 86 Ų | 86 | 117.6 Ų | 117.6 | 46% | 0.46 | 58% | 0.577 | S | S | . | * | trans | -66 | 80.7 | -172.9 | -70.8 | -47 | 0 | 0 | 0 | 110.7 | I126 D130 K131 | I126-D128 PolarHBondContact O-N 2.88Å; D128-D130 PolarHBondContact O-N 3.48Å; D128-K131 HydrophobicContact CB-CB 4.27Å; D128-K131 HydrophobicContact CB-CD 3.71Å; D128-K131 HydrophobicContact CB-CG 3.85Å; D128-K131 WeakPolarHBondContact O-CB 3.47Å; D128-K131 PolarHBondContact O-N 3.34Å; D128-K131 VanDerWaalsContact OD2-CE 3.24Å; D128-K131 WeakPolarHBondContact OD2-CE 3.32Å; D128-K131 IonicContact OD2-NZ 2.7Å; D128-K131 PolarHBondContact OD2-NZ 3.28Å | ||
| 129 | W | 76.4 | Confident | 79 | Confident | 162 Ų | 162 | 117.5 Ų | 117.5 | 61% | 0.614 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -56.4 | -34.4 | -179.1 | -65.6 | 107.2 | 0 | 0 | 0 | 111.3 | R127 K131 I132 Q133 | R127-W129 PolarHBondContact O-N 2.83Å; R127-W129 PolarHBondContact O-NE1 2.92Å; W129-K131 PolarHBondContact O-N 3.41Å; W129-I132 PolarHBondContact O-N 2.87Å; W129-Q133 WeakPolarHBondContact O-CB 3.37Å; W129-Q133 PolarHBondContact O-N 3.29Å |
| 130 | D | 82.9 | Confident | 79.7 | Confident | 100 Ų | 100 | 117.7 Ų | 117.7 | 54% | 0.535 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -48.5 | -37.6 | 170.1 | -108 | 47.2 | 0 | 0 | 0 | 114.5 | D128 I132 K134 | D128-D130 PolarHBondContact O-N 3.48Å; D130-I132 VanDerWaalsContact C-N 3.29Å; D130-I132 PolarHBondContact O-N 2.87Å; D130-K134 WeakPolarHBondContact O-CB 2.74Å; D130-K134 WeakPolarHBondContact O-CD 3.32Å; D130-K134 VanDerWaalsContact O-CG 3.31Å; D130-K134 WeakPolarHBondContact O-CG 3.34Å; D130-K134 PolarHBondContact O-N 2.87Å; D130-K134 WeakPolarHBondContact OD2-CE 3.18Å; D130-K134 IonicContact OD2-NZ 2.8Å; D130-K134 PolarHBondContact OD2-NZ 2.99Å |
| 131 | K | 83.4 | Confident | 80.5 | Confident | 149 Ų | 149 | 115.3 Ų | 115.3 | 65% | 0.648 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -73.8 | -20.6 | -179.7 | -69 | 178 | -177 | 160 | 0 | 112.8 | D128 W129 P135 | D128-K131 HydrophobicContact CB-CB 4.27Å; D128-K131 HydrophobicContact CB-CD 3.71Å; D128-K131 HydrophobicContact CB-CG 3.85Å; D128-K131 WeakPolarHBondContact O-CB 3.47Å; D128-K131 PolarHBondContact O-N 3.34Å; D128-K131 VanDerWaalsContact OD2-CE 3.24Å; D128-K131 WeakPolarHBondContact OD2-CE 3.32Å; D128-K131 IonicContact OD2-NZ 2.7Å; D128-K131 PolarHBondContact OD2-NZ 3.28Å; W129-K131 PolarHBondContact O-N 3.41Å; K131-P135 VanDerWaalsContact O-CD 3.32Å; K131-P135 WeakPolarHBondContact O-CD 3.47Å; K131-P135 WeakPolarHBondContact O-CG 3.45Å |
| 132 | I | 82.3 | Confident | 81.7 | Confident | 80 Ų | 80 | 111.2 Ų | 111.2 | 41% | 0.41 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -98.9 | -39.3 | 178.3 | -60 | 170.9 | 0 | 0 | 0 | 110.2 | W129 D130 P135 Q136 | W129-I132 PolarHBondContact O-N 2.87Å; D130-I132 VanDerWaalsContact C-N 3.29Å; D130-I132 PolarHBondContact O-N 2.87Å; I132-P135 WeakPolarHBondContact O-CD 3.37Å; I132-P135 WeakPolarHBondContact O-CG 3.23Å; I132-Q136 PolarHBondContact O-N 2.97Å |
| 133 | Q | 89.4 | Confident | 83.3 | Confident | 86 Ų | 86 | 107.5 Ų | 107.5 | 40% | 0.402 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.9 | -43.8 | -178.2 | -168.4 | 64.3 | 39.5 | 0 | 0 | 112.1 | W129 Q136 D137 | W129-Q133 WeakPolarHBondContact O-CB 3.37Å; W129-Q133 PolarHBondContact O-N 3.29Å; Q133-Q136 WeakPolarHBondContact O-CB 3.28Å; Q133-Q136 PolarHBondContact O-N 3.37Å; Q133-Q136 VanDerWaalsContact O-N 3.17Å; Q133-D137 PolarHBondContact NE2-OD1 3.05Å; Q133-D137 WeakPolarHBondContact O-CB 3.45Å; Q133-D137 VanDerWaalsContact O-CG 3.29Å; Q133-D137 PolarHBondContact O-N 2.79Å |
| 134 | K | 91.9 | Very high | 84.9 | Confident | 116 Ų | 116 | 108.7 Ų | 108.7 | 50% | 0.504 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.2 | -53.2 | -179.3 | -75.2 | 167.4 | 176.6 | 158.2 | 0 | 114 | D130 Q136 D137 D138 | D130-K134 WeakPolarHBondContact O-CB 2.74Å; D130-K134 WeakPolarHBondContact O-CD 3.32Å; D130-K134 VanDerWaalsContact O-CG 3.31Å; D130-K134 WeakPolarHBondContact O-CG 3.34Å; D130-K134 PolarHBondContact O-N 2.87Å; D130-K134 WeakPolarHBondContact OD2-CE 3.18Å; D130-K134 IonicContact OD2-NZ 2.8Å; D130-K134 PolarHBondContact OD2-NZ 2.99Å; K134-Q136 VanDerWaalsContact C-N 3.27Å; K134-Q136 PolarHBondContact O-N 3.03Å; K134-D137 PolarHBondContact O-N 3.18Å; K134-D138 WeakPolarHBondContact O-CB 3.27Å; K134-D138 PolarHBondContact O-N 3.37Å |
| 135 | P | 92.3 | Very high | 86.6 | Confident | 67 Ų | 67 | 108 Ų | 108 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.6 | -28.9 | 176.5 | 25 | -33.5 | 0 | 0 | 0 | 112.8 | K131 I132 L139 | K131-P135 VanDerWaalsContact O-CD 3.32Å; K131-P135 WeakPolarHBondContact O-CD 3.47Å; K131-P135 WeakPolarHBondContact O-CG 3.45Å; I132-P135 WeakPolarHBondContact O-CD 3.37Å; I132-P135 WeakPolarHBondContact O-CG 3.23Å; P135-L139 WeakPolarHBondContact O-CB 3.49Å; P135-L139 VanDerWaalsContact O-CG 3.26Å; P135-L139 WeakPolarHBondContact O-CG 3.28Å; P135-L139 PolarHBondContact O-N 3.2Å |
| 136 | Q | 90.2 | Very high | 88.2 | Confident | 90 Ų | 90 | 103.7 Ų | 103.7 | 42% | 0.421 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68 | -46 | 172.9 | -176.4 | 177.3 | -24.4 | 0 | 0 | 111.8 | I132 Q133 K134 D138 L139 D140 | I132-Q136 PolarHBondContact O-N 2.97Å; Q133-Q136 WeakPolarHBondContact O-CB 3.28Å; Q133-Q136 PolarHBondContact O-N 3.37Å; Q133-Q136 VanDerWaalsContact O-N 3.17Å; K134-Q136 VanDerWaalsContact C-N 3.27Å; K134-Q136 PolarHBondContact O-N 3.03Å; Q136-D138 VanDerWaalsContact C-N 3.28Å; Q136-D138 PolarHBondContact O-N 2.83Å; Q136-L139 PolarHBondContact O-N 3.29Å; Q136-D140 WeakPolarHBondContact O-CB 3.38Å; Q136-D140 PolarHBondContact O-N 2.72Å |
| 137 | D | 94.1 | Very high | 89.8 | Confident | 61 Ų | 61 | 100.4 Ų | 100.4 | 33% | 0.326 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -35 | 176.3 | -69.7 | -16.2 | 0 | 0 | 0 | 111.8 | Q133 K134 K141 | Q133-D137 PolarHBondContact NE2-OD1 3.05Å; Q133-D137 WeakPolarHBondContact O-CB 3.45Å; Q133-D137 VanDerWaalsContact O-CG 3.29Å; Q133-D137 PolarHBondContact O-N 2.79Å; K134-D137 PolarHBondContact O-N 3.18Å; D137-K141 WeakPolarHBondContact O-CD 3.22Å; D137-K141 VanDerWaalsContact O-CE 3.29Å; D137-K141 WeakPolarHBondContact O-CE 3.2Å; D137-K141 VanDerWaalsContact O-CG 3.23Å; D137-K141 WeakPolarHBondContact O-CG 3.42Å; D137-K141 PolarHBondContact O-N 2.92Å |
| 138 | D | 95.1 | Very high | 91.2 | Very high | 88 Ų | 88 | 98.8 Ų | 98.8 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.5 | -41.8 | 177.1 | -70.8 | -24.9 | 0 | 0 | 0 | 112 | K134 Q136 D140 K141 E142 | K134-D138 WeakPolarHBondContact O-CB 3.27Å; K134-D138 PolarHBondContact O-N 3.37Å; Q136-D138 VanDerWaalsContact C-N 3.28Å; Q136-D138 PolarHBondContact O-N 2.83Å; D138-D140 VanDerWaalsContact C-N 3.34Å; D138-D140 PolarHBondContact O-N 3.34Å; D138-K141 WeakPolarHBondContact O-CB 3.31Å; D138-K141 PolarHBondContact O-N 2.91Å; D138-K141 IonicContact OD1-NZ 2.74Å; D138-K141 PolarHBondContact OD1-NZ 3.14Å; D138-E142 PolarHBondContact O-N 3.37Å |
| 139 | L | 95.5 | Very high | 92.4 | Very high | 98 Ų | 98 | 100 Ų | 100 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 170.1 | -74.2 | 168.2 | 0 | 0 | 0 | 111.8 | P135 Q136 K141 E142 I143 | P135-L139 WeakPolarHBondContact O-CB 3.49Å; P135-L139 VanDerWaalsContact O-CG 3.26Å; P135-L139 WeakPolarHBondContact O-CG 3.28Å; P135-L139 PolarHBondContact O-N 3.2Å; Q136-L139 PolarHBondContact O-N 3.29Å; L139-K141 VanDerWaalsContact C-N 3.3Å; L139-K141 PolarHBondContact O-N 3.4Å; L139-E142 PolarHBondContact O-N 2.82Å; L139-I143 VanDerWaalsContact O-CG1 3.29Å; L139-I143 WeakPolarHBondContact O-CG1 3.35Å; L139-I143 PolarHBondContact O-N 2.96Å |
| 140 | D | 95.8 | Very high | 93.4 | Very high | 67 Ų | 67 | 96.8 Ų | 96.8 | 36% | 0.358 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -35.2 | 175.5 | -93.8 | 7.4 | 0 | 0 | 0 | 112.4 | Q136 D138 K144 | Q136-D140 WeakPolarHBondContact O-CB 3.38Å; Q136-D140 PolarHBondContact O-N 2.72Å; D138-D140 VanDerWaalsContact C-N 3.34Å; D138-D140 PolarHBondContact O-N 3.34Å; D140-K144 WeakPolarHBondContact O-CB 3.4Å; D140-K144 WeakPolarHBondContact O-CD 3.36Å; D140-K144 WeakPolarHBondContact O-CE 3.47Å; D140-K144 WeakPolarHBondContact O-CG 3.36Å; D140-K144 PolarHBondContact O-N 2.8Å; D140-K144 VanDerWaalsContact O-N 3.16Å |
| 141 | K | 96.9 | Very high | 94 | Very high | 105 Ų | 105 | 94.2 Ų | 94.2 | 46% | 0.457 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.6 | -43.5 | 172.4 | -69.8 | 160.7 | -149.6 | 158.1 | 0 | 110.9 | D137 D138 L139 K144 N145 | D137-K141 WeakPolarHBondContact O-CD 3.22Å; D137-K141 VanDerWaalsContact O-CE 3.29Å; D137-K141 WeakPolarHBondContact O-CE 3.2Å; D137-K141 VanDerWaalsContact O-CG 3.23Å; D137-K141 WeakPolarHBondContact O-CG 3.42Å; D137-K141 PolarHBondContact O-N 2.92Å; D138-K141 WeakPolarHBondContact O-CB 3.31Å; D138-K141 PolarHBondContact O-N 2.91Å; D138-K141 IonicContact OD1-NZ 2.74Å; D138-K141 PolarHBondContact OD1-NZ 3.14Å; L139-K141 VanDerWaalsContact C-N 3.3Å; L139-K141 PolarHBondContact O-N 3.4Å; K141-K144 PolarHBondContact O-N 2.7Å; K141-N145 WeakPolarHBondContact O-CB 3.21Å; K141-N145 PolarHBondContact O-N 2.86Å; K141-N145 PolarHBondContact O-ND2 3.41Å |
| 142 | E | 97.5 | Very high | 94.6 | Very high | 112 Ų | 112 | 93.2 Ų | 93.2 | 52% | 0.523 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 178.2 | -172.3 | 171 | -166 | 0 | 0 | 111.4 | D138 L139 K144 N145 L146 | D138-E142 PolarHBondContact O-N 3.37Å; L139-E142 PolarHBondContact O-N 2.82Å; E142-K144 VanDerWaalsContact C-N 3.33Å; E142-K144 PolarHBondContact O-N 3.31Å; E142-N145 PolarHBondContact O-N 2.82Å; E142-L146 HydrophobicContact CG-CD1 4.04Å; E142-L146 HydrophobicContact CG-CG 4.45Å; E142-L146 WeakPolarHBondContact O-CB 3.46Å; E142-L146 WeakPolarHBondContact O-CG 3.28Å; E142-L146 PolarHBondContact O-N 3.36Å |
| 143 | I | 96.2 | Very high | 95.3 | Very high | 97 Ų | 97 | 93.4 Ų | 93.4 | 50% | 0.497 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 174.6 | -68.6 | 165.1 | 0 | 0 | 0 | 111.2 | L139 T147 | L139-I143 VanDerWaalsContact O-CG1 3.29Å; L139-I143 WeakPolarHBondContact O-CG1 3.35Å; L139-I143 PolarHBondContact O-N 2.96Å; I143-T147 WeakPolarHBondContact O-CB 3.38Å; I143-T147 PolarHBondContact O-N 3.41Å; I143-T147 PolarHBondContact O-OG1 2.86Å |
| 144 | K | 96.6 | Very high | 95.6 | Very high | 108 Ų | 108 | 93.6 Ų | 93.6 | 47% | 0.47 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 176.9 | -73.1 | 161.2 | -164.6 | 155.6 | 0 | 111.6 | D140 K141 E142 T147 L148 | D140-K144 WeakPolarHBondContact O-CB 3.4Å; D140-K144 WeakPolarHBondContact O-CD 3.36Å; D140-K144 WeakPolarHBondContact O-CE 3.47Å; D140-K144 WeakPolarHBondContact O-CG 3.36Å; D140-K144 PolarHBondContact O-N 2.8Å; D140-K144 VanDerWaalsContact O-N 3.16Å; K141-K144 PolarHBondContact O-N 2.7Å; E142-K144 VanDerWaalsContact C-N 3.33Å; E142-K144 PolarHBondContact O-N 3.31Å; K144-T147 PolarHBondContact O-N 3.48Å; K144-L148 WeakPolarHBondContact O-CG 3.43Å; K144-L148 PolarHBondContact O-N 2.95Å |
| 145 | N | 96.9 | Very high | 95.8 | Very high | 104 Ų | 104 | 93.1 Ų | 93.1 | 56% | 0.556 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.3 | -47.8 | 177.8 | -70.3 | -18.4 | 0 | 0 | 0 | 111.5 | K141 E142 T147 L148 E149 | K141-N145 WeakPolarHBondContact O-CB 3.21Å; K141-N145 PolarHBondContact O-N 2.86Å; K141-N145 PolarHBondContact O-ND2 3.41Å; E142-N145 PolarHBondContact O-N 2.82Å; N145-T147 VanDerWaalsContact C-N 3.29Å; N145-T147 PolarHBondContact O-N 3.33Å; N145-L148 PolarHBondContact O-N 3.37Å; N145-E149 WeakPolarHBondContact O-CB 3.43Å; N145-E149 PolarHBondContact O-N 2.7Å |
| 146 | L | 96.9 | Very high | 96 | Very high | 97 Ų | 97 | 94.5 Ų | 94.5 | 51% | 0.508 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.8 | -36 | 175.7 | -71.2 | 172.1 | 0 | 0 | 0 | 112.2 | E142 E149 N150 | E142-L146 HydrophobicContact CG-CD1 4.04Å; E142-L146 HydrophobicContact CG-CG 4.45Å; E142-L146 WeakPolarHBondContact O-CB 3.46Å; E142-L146 WeakPolarHBondContact O-CG 3.28Å; E142-L146 PolarHBondContact O-N 3.36Å; L146-E149 PolarHBondContact O-N 2.97Å; L146-N150 VanDerWaalsContact O-CB 3.22Å; L146-N150 WeakPolarHBondContact O-CB 3.36Å; L146-N150 PolarHBondContact O-N 2.97Å |
| 147 | T | 96.5 | Very high | 96.2 | Very high | 79 Ų | 79 | 94.1 Ų | 94.1 | 49% | 0.485 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 175.6 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | I143 K144 N145 N150 A151 | I143-T147 WeakPolarHBondContact O-CB 3.38Å; I143-T147 PolarHBondContact O-N 3.41Å; I143-T147 PolarHBondContact O-OG1 2.86Å; K144-T147 PolarHBondContact O-N 3.48Å; N145-T147 VanDerWaalsContact C-N 3.29Å; N145-T147 PolarHBondContact O-N 3.33Å; T147-N150 PolarHBondContact O-N 2.77Å; T147-A151 WeakPolarHBondContact O-CB 3.46Å; T147-A151 PolarHBondContact O-N 3.29Å |
| 148 | L | 97.1 | Very high | 96.4 | Very high | 122 Ų | 122 | 94.4 Ų | 94.4 | 64% | 0.639 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.9 | -39.1 | 175.5 | -70.3 | 173.2 | 0 | 0 | 0 | 112.2 | K144 N145 A151 K152 | K144-L148 WeakPolarHBondContact O-CG 3.43Å; K144-L148 PolarHBondContact O-N 2.95Å; N145-L148 PolarHBondContact O-N 3.37Å; L148-A151 PolarHBondContact O-N 2.95Å; L148-K152 WeakPolarHBondContact O-CB 3.4Å; L148-K152 PolarHBondContact O-N 3.33Å |
| 149 | E | 97.4 | Very high | 96.3 | Very high | 112 Ų | 112 | 95.3 Ų | 95.3 | 52% | 0.523 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 175.6 | -176.3 | 163.2 | -147.6 | 0 | 0 | 111.6 | N145 L146 K152 L153 | N145-E149 WeakPolarHBondContact O-CB 3.43Å; N145-E149 PolarHBondContact O-N 2.7Å; L146-E149 PolarHBondContact O-N 2.97Å; E149-K152 WeakPolarHBondContact O-CB 3.36Å; E149-K152 PolarHBondContact O-N 2.9Å; E149-L153 HydrophobicContact CG-CD1 4.22Å; E149-L153 HydrophobicContact CG-CG 4.49Å; E149-L153 WeakPolarHBondContact O-CB 3.45Å; E149-L153 WeakPolarHBondContact O-CG 3.26Å; E149-L153 PolarHBondContact O-N 2.91Å |
| 150 | N | 96.2 | Very high | 96.3 | Very high | 94 Ų | 94 | 95.7 Ų | 95.7 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 173.8 | -167.8 | -43.6 | 0 | 0 | 0 | 111.2 | L146 T147 K152 L153 L154 | L146-N150 VanDerWaalsContact O-CB 3.22Å; L146-N150 WeakPolarHBondContact O-CB 3.36Å; L146-N150 PolarHBondContact O-N 2.97Å; T147-N150 PolarHBondContact O-N 2.77Å; N150-K152 VanDerWaalsContact C-N 3.31Å; N150-K152 PolarHBondContact O-N 2.89Å; N150-L153 PolarHBondContact O-N 3.18Å; N150-L154 WeakPolarHBondContact O-CG 3.27Å; N150-L154 PolarHBondContact O-N 2.95Å; N150-L154 WeakPolarHBondContact OD1-CD1 3.46Å |
| 151 | A | 95.8 | Very high | 96.1 | Very high | 47 Ų | 47 | 98 Ų | 98 | 39% | 0.388 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T147 L148 L154 L155 | T147-A151 WeakPolarHBondContact O-CB 3.46Å; T147-A151 PolarHBondContact O-N 3.29Å; L148-A151 PolarHBondContact O-N 2.95Å; A151-L154 PolarHBondContact O-N 3.46Å; A151-L155 WeakPolarHBondContact O-CG 3.49Å; A151-L155 PolarHBondContact O-N 3.45Å; A151-L155 VanDerWaalsContact O-N 3.08Å |
| 152 | K | 97.3 | Very high | 96 | Very high | 127 Ų | 127 | 97.3 Ų | 97.3 | 55% | 0.552 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.8 | -42.6 | 174.7 | -178.6 | -174.1 | 174.8 | -169.9 | 0 | 112.1 | L148 E149 N150 L155 Q156 | L148-K152 WeakPolarHBondContact O-CB 3.4Å; L148-K152 PolarHBondContact O-N 3.33Å; E149-K152 WeakPolarHBondContact O-CB 3.36Å; E149-K152 PolarHBondContact O-N 2.9Å; N150-K152 VanDerWaalsContact C-N 3.31Å; N150-K152 PolarHBondContact O-N 2.89Å; K152-L155 PolarHBondContact O-N 2.9Å; K152-Q156 WeakPolarHBondContact O-CG 3.5Å; K152-Q156 PolarHBondContact O-N 2.84Å |
| 153 | L | 96.1 | Very high | 95.8 | Very high | 85 Ų | 85 | 93.5 Ų | 93.5 | 45% | 0.445 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 176.8 | -72.8 | 170.7 | 0 | 0 | 0 | 111.5 | E149 N150 L155 Q156 I157 | E149-L153 HydrophobicContact CG-CD1 4.22Å; E149-L153 HydrophobicContact CG-CG 4.49Å; E149-L153 WeakPolarHBondContact O-CB 3.45Å; E149-L153 WeakPolarHBondContact O-CG 3.26Å; E149-L153 PolarHBondContact O-N 2.91Å; N150-L153 PolarHBondContact O-N 3.18Å; L153-L155 PolarHBondContact O-N 3.33Å; L153-Q156 PolarHBondContact O-N 3.43Å; L153-I157 WeakPolarHBondContact O-CB 3.28Å; L153-I157 VanDerWaalsContact O-CG1 3.26Å; L153-I157 WeakPolarHBondContact O-CG1 3.46Å; L153-I157 PolarHBondContact O-N 2.94Å |
| 154 | L | 95.6 | Very high | 95.6 | Very high | 90 Ų | 90 | 93.8 Ų | 93.8 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 174 | -72 | 171.1 | 0 | 0 | 0 | 111.7 | N150 A151 Q156 I157 D158 | N150-L154 WeakPolarHBondContact O-CG 3.27Å; N150-L154 PolarHBondContact O-N 2.95Å; N150-L154 WeakPolarHBondContact OD1-CD1 3.46Å; A151-L154 PolarHBondContact O-N 3.46Å; L154-Q156 VanDerWaalsContact C-N 3.33Å; L154-Q156 PolarHBondContact O-N 2.96Å; L154-I157 PolarHBondContact O-N 3.35Å; L154-D158 PolarHBondContact O-N 3.41Å |
| 155 | L | 96.8 | Very high | 95.5 | Very high | 106 Ų | 106 | 94 Ų | 94 | 56% | 0.555 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.2 | -37.7 | 175.1 | -71.3 | 172.6 | 0 | 0 | 0 | 112.7 | A151 K152 L153 N159 | A151-L155 WeakPolarHBondContact O-CG 3.49Å; A151-L155 PolarHBondContact O-N 3.45Å; A151-L155 VanDerWaalsContact O-N 3.08Å; K152-L155 PolarHBondContact O-N 2.9Å; L153-L155 PolarHBondContact O-N 3.33Å; L155-N159 VanDerWaalsContact O-CB 3.29Å; L155-N159 WeakPolarHBondContact O-CB 3.23Å; L155-N159 PolarHBondContact O-N 3.11Å |
| 156 | Q | 95.4 | Very high | 95.3 | Very high | 95 Ų | 95 | 93.3 Ų | 93.3 | 44% | 0.444 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.9 | -40.3 | 174.2 | -74.1 | -179.4 | -17.6 | 0 | 0 | 112.2 | K152 L153 L154 N159 N160 | K152-Q156 WeakPolarHBondContact O-CG 3.5Å; K152-Q156 PolarHBondContact O-N 2.84Å; L153-Q156 PolarHBondContact O-N 3.43Å; L154-Q156 VanDerWaalsContact C-N 3.33Å; L154-Q156 PolarHBondContact O-N 2.96Å; Q156-N159 PolarHBondContact O-N 2.89Å; Q156-N160 WeakPolarHBondContact O-CB 3.14Å; Q156-N160 VanDerWaalsContact O-CG 3.26Å; Q156-N160 PolarHBondContact O-N 2.93Å; Q156-N160 PolarHBondContact O-ND2 3.29Å |
| 157 | I | 95.3 | Very high | 95 | Very high | 83 Ų | 83 | 95 Ų | 95 | 43% | 0.426 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 174.9 | -73.5 | 163.3 | 0 | 0 | 0 | 110.2 | L153 L154 N160 K161 | L153-I157 WeakPolarHBondContact O-CB 3.28Å; L153-I157 VanDerWaalsContact O-CG1 3.26Å; L153-I157 WeakPolarHBondContact O-CG1 3.46Å; L153-I157 PolarHBondContact O-N 2.94Å; L154-I157 PolarHBondContact O-N 3.35Å; I157-N160 PolarHBondContact O-N 2.92Å; I157-K161 HydrophobicContact CG2-CD 4.36Å; I157-K161 VanDerWaalsContact CG2-CE 3.45Å; I157-K161 WeakPolarHBondContact O-CG 3.31Å; I157-K161 PolarHBondContact O-N 3.41Å |
| 158 | D | 96.8 | Very high | 94.6 | Very high | 66 Ų | 66 | 95.1 Ų | 95.1 | 35% | 0.353 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71 | -34.9 | -179.2 | -70.7 | -16.2 | 0 | 0 | 0 | 112.5 | L154 K161 L162 | L154-D158 PolarHBondContact O-N 3.41Å; D158-K161 PolarHBondContact O-N 2.88Å; D158-K161 IonicContact OD1-NZ 2.73Å; D158-K161 PolarHBondContact OD1-NZ 3.47Å; D158-L162 WeakPolarHBondContact O-CG 3.48Å; D158-L162 PolarHBondContact O-N 3.03Å |
| 159 | N | 94.7 | Very high | 94.2 | Very high | 108 Ų | 108 | 93.2 Ų | 93.2 | 58% | 0.578 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.4 | -45.5 | 170.7 | -172.4 | -89 | 0 | 0 | 0 | 111.9 | L155 Q156 K161 L162 A163 | L155-N159 VanDerWaalsContact O-CB 3.29Å; L155-N159 WeakPolarHBondContact O-CB 3.23Å; L155-N159 PolarHBondContact O-N 3.11Å; Q156-N159 PolarHBondContact O-N 2.89Å; N159-K161 PolarHBondContact O-N 3.49Å; N159-L162 PolarHBondContact O-N 3.06Å; N159-A163 WeakPolarHBondContact O-CB 3.4Å; N159-A163 PolarHBondContact O-N 3.14Å |
| 160 | N | 94.3 | Very high | 94.1 | Very high | 106 Ų | 106 | 93.3 Ų | 93.3 | 57% | 0.567 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.8 | -36.2 | 176.8 | -74.6 | -39.8 | 0 | 0 | 0 | 112.5 | Q156 I157 L164 | Q156-N160 WeakPolarHBondContact O-CB 3.14Å; Q156-N160 VanDerWaalsContact O-CG 3.26Å; Q156-N160 PolarHBondContact O-N 2.93Å; Q156-N160 PolarHBondContact O-ND2 3.29Å; I157-N160 PolarHBondContact O-N 2.92Å; N160-L164 WeakPolarHBondContact O-CB 3.41Å; N160-L164 PolarHBondContact O-N 2.85Å |
| 161 | K | 92.9 | Very high | 93.8 | Very high | 116 Ų | 116 | 94 Ų | 94 | 50% | 0.504 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 173.1 | -73 | 171.7 | -167 | 156.5 | 0 | 111.8 | I157 D158 N159 L164 E165 | I157-K161 HydrophobicContact CG2-CD 4.36Å; I157-K161 VanDerWaalsContact CG2-CE 3.45Å; I157-K161 WeakPolarHBondContact O-CG 3.31Å; I157-K161 PolarHBondContact O-N 3.41Å; D158-K161 PolarHBondContact O-N 2.88Å; D158-K161 IonicContact OD1-NZ 2.73Å; D158-K161 PolarHBondContact OD1-NZ 3.47Å; N159-K161 PolarHBondContact O-N 3.49Å; K161-L164 WeakPolarHBondContact O-CB 3.31Å; K161-L164 PolarHBondContact O-N 2.89Å; K161-E165 PolarHBondContact O-N 3.47Å |
| 162 | L | 94 | Very high | 93.5 | Very high | 89 Ų | 89 | 96.4 Ų | 96.4 | 47% | 0.466 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 177.6 | -70.3 | 170.7 | 0 | 0 | 0 | 111.3 | D158 N159 L164 E165 D166 | D158-L162 WeakPolarHBondContact O-CG 3.48Å; D158-L162 PolarHBondContact O-N 3.03Å; N159-L162 PolarHBondContact O-N 3.06Å; L162-L164 VanDerWaalsContact C-N 3.33Å; L162-L164 PolarHBondContact O-N 2.87Å; L162-E165 PolarHBondContact O-N 3.16Å; L162-D166 PolarHBondContact O-N 3.13Å |
| 163 | A | 93.1 | Very high | 93.1 | Very high | 33 Ų | 33 | 94.8 Ų | 94.8 | 27% | 0.273 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N159 D166 F167 | N159-A163 WeakPolarHBondContact O-CB 3.4Å; N159-A163 PolarHBondContact O-N 3.14Å; A163-D166 PolarHBondContact O-N 3.4Å; A163-F167 WeakPolarHBondContact O-CD2 3.32Å; A163-F167 WeakPolarHBondContact O-CG 3.45Å; A163-F167 PolarHBondContact O-N 3.29Å |
| 164 | L | 92.8 | Very high | 92.8 | Very high | 103 Ų | 103 | 97.2 Ų | 97.2 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 174.3 | 179.7 | 64 | 0 | 0 | 0 | 112 | N160 K161 L162 F167 N168 | N160-L164 WeakPolarHBondContact O-CB 3.41Å; N160-L164 PolarHBondContact O-N 2.85Å; K161-L164 WeakPolarHBondContact O-CB 3.31Å; K161-L164 PolarHBondContact O-N 2.89Å; L162-L164 VanDerWaalsContact C-N 3.33Å; L162-L164 PolarHBondContact O-N 2.87Å; L164-F167 PolarHBondContact O-N 2.84Å; L164-N168 VanDerWaalsContact O-CG 3.29Å; L164-N168 PolarHBondContact O-N 3.21Å; L164-N168 PolarHBondContact O-ND2 2.75Å |
| 165 | E | 93.3 | Very high | 92.4 | Very high | 111 Ų | 111 | 95.1 Ų | 95.1 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 174.9 | -168.2 | 174.3 | 176.8 | 0 | 0 | 111.2 | K161 L162 F167 N168 N169 | K161-E165 PolarHBondContact O-N 3.47Å; L162-E165 PolarHBondContact O-N 3.16Å; E165-F167 VanDerWaalsContact C-N 3.32Å; E165-F167 PolarHBondContact O-N 3.48Å; E165-N168 PolarHBondContact O-N 2.86Å; E165-N169 WeakPolarHBondContact O-CB 3.46Å; E165-N169 VanDerWaalsContact O-CG 3.26Å; E165-N169 PolarHBondContact O-N 3.05Å; E165-N169 PolarHBondContact O-ND2 3.03Å; E165-N169 VanDerWaalsContact O-ND2 3.14Å |
| 166 | D | 92.5 | Very high | 92 | Very high | 91 Ų | 91 | 97.8 Ų | 97.8 | 49% | 0.487 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.6 | -38.4 | 172.5 | -81.3 | -16.8 | 0 | 0 | 0 | 112.8 | L162 A163 K170 | L162-D166 PolarHBondContact O-N 3.13Å; A163-D166 PolarHBondContact O-N 3.4Å; D166-K170 WeakPolarHBondContact O-CD 3.45Å; D166-K170 VanDerWaalsContact O-CG 3.24Å; D166-K170 WeakPolarHBondContact O-CG 2.79Å; D166-K170 PolarHBondContact O-N 3.29Å; D166-K170 VanDerWaalsContact O-N 3.15Å |
| 167 | F | 91.6 | Very high | 91.7 | Very high | 133 Ų | 133 | 99 Ų | 99 | 58% | 0.583 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -71.5 | -38.4 | 175.4 | -72.1 | -54.5 | 0 | 0 | 0 | 112.6 | A163 L164 E165 K170 L171 | A163-F167 WeakPolarHBondContact O-CD2 3.32Å; A163-F167 WeakPolarHBondContact O-CG 3.45Å; A163-F167 PolarHBondContact O-N 3.29Å; L164-F167 PolarHBondContact O-N 2.84Å; E165-F167 VanDerWaalsContact C-N 3.32Å; E165-F167 PolarHBondContact O-N 3.48Å; F167-K170 PolarHBondContact O-N 3.46Å; F167-L171 WeakPolarHBondContact O-CB 3.26Å; F167-L171 PolarHBondContact O-N 2.92Å |
| 168 | N | 88.8 | Confident | 91.6 | Very high | 80 Ų | 80 | 101 Ų | 101 | 43% | 0.428 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 174.7 | -71.5 | -24.9 | 0 | 0 | 0 | 111.4 | L164 E165 K170 L171 D172 | L164-N168 VanDerWaalsContact O-CG 3.29Å; L164-N168 PolarHBondContact O-N 3.21Å; L164-N168 PolarHBondContact O-ND2 2.75Å; E165-N168 PolarHBondContact O-N 2.86Å; N168-K170 VanDerWaalsContact C-N 3.34Å; N168-K170 PolarHBondContact O-N 2.61Å; N168-L171 WeakPolarHBondContact O-CB 3.35Å; N168-L171 PolarHBondContact O-N 2.66Å; N168-D172 PolarHBondContact O-N 3.48Å |
| 169 | N | 86.8 | Confident | 91.4 | Very high | 82 Ų | 82 | 103.5 Ų | 103.5 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 175.9 | -71.3 | -34.6 | 0 | 0 | 0 | 111.5 | E165 D172 D173 | E165-N169 WeakPolarHBondContact O-CB 3.46Å; E165-N169 VanDerWaalsContact O-CG 3.26Å; E165-N169 PolarHBondContact O-N 3.05Å; E165-N169 PolarHBondContact O-ND2 3.03Å; E165-N169 VanDerWaalsContact O-ND2 3.14Å; N169-D172 PolarHBondContact O-N 2.94Å; N169-D173 PolarHBondContact O-N 3.4Å |
| 170 | K | 95.4 | Very high | 91.2 | Very high | 115 Ų | 115 | 103.9 Ų | 103.9 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 174.7 | -72.6 | 166.2 | -171 | 166 | 0 | 112.4 | D166 F167 N168 D172 D173 E174 | D166-K170 WeakPolarHBondContact O-CD 3.45Å; D166-K170 VanDerWaalsContact O-CG 3.24Å; D166-K170 WeakPolarHBondContact O-CG 2.79Å; D166-K170 PolarHBondContact O-N 3.29Å; D166-K170 VanDerWaalsContact O-N 3.15Å; F167-K170 PolarHBondContact O-N 3.46Å; N168-K170 VanDerWaalsContact C-N 3.34Å; N168-K170 PolarHBondContact O-N 2.61Å; K170-D172 VanDerWaalsContact C-N 3.32Å; K170-D172 PolarHBondContact O-N 3.02Å; K170-D173 PolarHBondContact O-N 2.93Å; K170-E174 WeakPolarHBondContact O-CB 3.47Å; K170-E174 WeakPolarHBondContact O-CG 3.2Å; K170-E174 PolarHBondContact O-N 3.41Å |
| 171 | L | 91.3 | Very high | 91.3 | Very high | 108 Ų | 108 | 103.3 Ų | 103.3 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.2 | -42.1 | 176.7 | -173.3 | 82.1 | 0 | 0 | 0 | 111.4 | F167 N168 S175 | F167-L171 WeakPolarHBondContact O-CB 3.26Å; F167-L171 PolarHBondContact O-N 2.92Å; N168-L171 WeakPolarHBondContact O-CB 3.35Å; N168-L171 PolarHBondContact O-N 2.66Å; L171-S175 WeakPolarHBondContact O-CB 3.42Å; L171-S175 PolarHBondContact O-N 3.31Å |
| 172 | D | 89.8 | Confident | 91.3 | Very high | 98 Ų | 98 | 101.7 Ų | 101.7 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69 | -38.4 | 178.8 | -83.4 | -17.6 | 0 | 0 | 0 | 112.5 | N168 N169 K170 R176 | N168-D172 PolarHBondContact O-N 3.48Å; N169-D172 PolarHBondContact O-N 2.94Å; K170-D172 VanDerWaalsContact C-N 3.32Å; K170-D172 PolarHBondContact O-N 3.02Å; D172-R176 WeakPolarHBondContact O-CB 3.45Å; D172-R176 PolarHBondContact O-N 2.85Å |
| 173 | D | 87.6 | Confident | 91.3 | Very high | 92 Ų | 92 | 104.2 Ų | 104.2 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.5 | -43.6 | 174 | -78.5 | -22.2 | 0 | 0 | 0 | 112 | N169 K170 R176 M177 | N169-D173 PolarHBondContact O-N 3.4Å; K170-D173 PolarHBondContact O-N 2.93Å; D173-R176 WeakPolarHBondContact O-CB 3.25Å; D173-R176 PolarHBondContact O-N 3.44Å; D173-R176 IonicContact OD1-NH2 3.84Å; D173-M177 PolarHBondContact O-N 3.14Å |
| 174 | E | 89.7 | Confident | 91.5 | Very high | 137 Ų | 137 | 106.6 Ų | 106.6 | 64% | 0.64 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.8 | -41.2 | 173 | -75.6 | -177.9 | -174.4 | 0 | 0 | 111.7 | K170 R176 M177 K178 | K170-E174 WeakPolarHBondContact O-CB 3.47Å; K170-E174 WeakPolarHBondContact O-CG 3.2Å; K170-E174 PolarHBondContact O-N 3.41Å; E174-R176 VanDerWaalsContact C-N 3.31Å; E174-R176 PolarHBondContact O-N 2.82Å; E174-M177 PolarHBondContact O-N 3.43Å; E174-K178 VanDerWaalsContact O-CB 3.3Å; E174-K178 WeakPolarHBondContact O-CB 3.3Å; E174-K178 PolarHBondContact O-N 3.02Å |
| 175 | S | 87.8 | Confident | 91.7 | Very high | 45 Ų | 45 | 106 Ų | 106 | 32% | 0.315 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 174.7 | -179.5 | 0 | 0 | 0 | 0 | 112 | L171 K179 | L171-S175 WeakPolarHBondContact O-CB 3.42Å; L171-S175 PolarHBondContact O-N 3.31Å; S175-K179 WeakPolarHBondContact O-CD 3.39Å; S175-K179 VanDerWaalsContact O-CG 3.29Å; S175-K179 WeakPolarHBondContact O-CG 3.25Å; S175-K179 PolarHBondContact O-N 2.86Å |
| 176 | R | 88.4 | Confident | 91.8 | Very high | 163 Ų | 163 | 105 Ų | 105 | 62% | 0.615 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.5 | -49.8 | 173.9 | -171.5 | -175.7 | -55.8 | 172.9 | 10.3 | 111.4 | D172 D173 E174 K178 K179 E180 | D172-R176 WeakPolarHBondContact O-CB 3.45Å; D172-R176 PolarHBondContact O-N 2.85Å; D173-R176 WeakPolarHBondContact O-CB 3.25Å; D173-R176 PolarHBondContact O-N 3.44Å; D173-R176 IonicContact OD1-NH2 3.84Å; E174-R176 VanDerWaalsContact C-N 3.31Å; E174-R176 PolarHBondContact O-N 2.82Å; R176-K178 VanDerWaalsContact C-N 3.33Å; R176-K178 PolarHBondContact O-N 3.45Å; R176-K179 PolarHBondContact O-N 2.83Å; R176-E180 PolarHBondContact O-N 3.18Å; R176-E180 VanDerWaalsContact O-N 3.07Å |
| 177 | M | 89.3 | Confident | 92 | Very high | 121 Ų | 121 | 104.2 Ų | 104.2 | 60% | 0.596 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.1 | -41 | 177.7 | -177.8 | 175.6 | -75.2 | 0 | 0 | 111.5 | D173 E174 K179 E180 L181 | D173-M177 PolarHBondContact O-N 3.14Å; E174-M177 PolarHBondContact O-N 3.43Å; M177-K179 PolarHBondContact O-N 3.38Å; M177-E180 WeakPolarHBondContact O-CB 3.46Å; M177-E180 PolarHBondContact O-N 2.98Å; M177-E180 VanDerWaalsContact O-N 3.14Å; M177-L181 HydrophobicContact CG-CD1 4.13Å; M177-L181 HydrophobicContact CG-CG 4.46Å; M177-L181 WeakPolarHBondContact O-CG 3.41Å; M177-L181 PolarHBondContact O-N 2.97Å |
| 178 | K | 93.2 | Very high | 92.2 | Very high | 125 Ų | 125 | 102.8 Ų | 102.8 | 54% | 0.543 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 174.7 | -177.7 | 173.7 | -177.3 | -80.7 | 0 | 112 | E174 R176 E180 L181 E182 | E174-K178 VanDerWaalsContact O-CB 3.3Å; E174-K178 WeakPolarHBondContact O-CB 3.3Å; E174-K178 PolarHBondContact O-N 3.02Å; R176-K178 VanDerWaalsContact C-N 3.33Å; R176-K178 PolarHBondContact O-N 3.45Å; K178-E180 VanDerWaalsContact C-N 3.27Å; K178-E180 PolarHBondContact O-N 3.28Å; K178-L181 PolarHBondContact O-N 3.4Å; K178-E182 WeakPolarHBondContact CE-OE1 3.4Å; K178-E182 HydrophobicContact CG-CG 4.47Å; K178-E182 IonicContact NZ-OE1 3.9Å; K178-E182 PolarHBondContact NZ-OE1 2.97Å; K178-E182 WeakPolarHBondContact O-CB 3.41Å; K178-E182 VanDerWaalsContact O-CG 3.25Å; K178-E182 WeakPolarHBondContact O-CG 3.44Å; K178-E182 PolarHBondContact O-N 2.76Å |
| 179 | K | 91.3 | Very high | 92.6 | Very high | 117 Ų | 117 | 104.6 Ų | 104.6 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.6 | -25.3 | 176.8 | -72.5 | 166.3 | -174.6 | 163.3 | 0 | 113.5 | S175 R176 M177 K183 | S175-K179 WeakPolarHBondContact O-CD 3.39Å; S175-K179 VanDerWaalsContact O-CG 3.29Å; S175-K179 WeakPolarHBondContact O-CG 3.25Å; S175-K179 PolarHBondContact O-N 2.86Å; R176-K179 PolarHBondContact O-N 2.83Å; M177-K179 PolarHBondContact O-N 3.38Å; K179-K183 WeakPolarHBondContact O-CD 3.34Å; K179-K183 VanDerWaalsContact O-CG 3.29Å; K179-K183 WeakPolarHBondContact O-CG 3.35Å; K179-K183 PolarHBondContact O-N 3.44Å |
| 180 | E | 92.4 | Very high | 93.2 | Very high | 117 Ų | 117 | 106.5 Ų | 106.5 | 55% | 0.547 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -73.9 | -51.7 | 172.9 | -169.2 | 164.5 | -160.5 | 0 | 0 | 109.9 | R176 M177 K178 E182 K183 D184 | R176-E180 PolarHBondContact O-N 3.18Å; R176-E180 VanDerWaalsContact O-N 3.07Å; M177-E180 WeakPolarHBondContact O-CB 3.46Å; M177-E180 PolarHBondContact O-N 2.98Å; M177-E180 VanDerWaalsContact O-N 3.14Å; K178-E180 VanDerWaalsContact C-N 3.27Å; K178-E180 PolarHBondContact O-N 3.28Å; E180-E182 VanDerWaalsContact C-N 3.29Å; E180-E182 PolarHBondContact O-N 2.92Å; E180-K183 WeakPolarHBondContact O-CB 3.41Å; E180-K183 PolarHBondContact O-N 3.31Å; E180-D184 PolarHBondContact O-N 2.87Å |
| 181 | L | 94.9 | Very high | 93.3 | Very high | 94 Ų | 94 | 104.3 Ų | 104.3 | 49% | 0.492 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.4 | -35.6 | 175 | -66 | 172.2 | 0 | 0 | 0 | 113.3 | M177 K178 D184 I185 | M177-L181 HydrophobicContact CG-CD1 4.13Å; M177-L181 HydrophobicContact CG-CG 4.46Å; M177-L181 WeakPolarHBondContact O-CG 3.41Å; M177-L181 PolarHBondContact O-N 2.97Å; K178-L181 PolarHBondContact O-N 3.4Å; L181-D184 PolarHBondContact O-N 2.9Å; L181-I185 WeakPolarHBondContact O-CB 3.44Å; L181-I185 WeakPolarHBondContact O-CD1 3.27Å; L181-I185 VanDerWaalsContact O-CG1 3.23Å; L181-I185 WeakPolarHBondContact O-CG1 3.49Å; L181-I185 PolarHBondContact O-N 2.82Å |
| 182 | E | 94.4 | Very high | 93.6 | Very high | 82 Ų | 82 | 104.6 Ų | 104.6 | 38% | 0.383 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 173.5 | -78.9 | 170.3 | 168.4 | 0 | 0 | 112 | K178 E180 D186 | K178-E182 WeakPolarHBondContact CE-OE1 3.4Å; K178-E182 HydrophobicContact CG-CG 4.47Å; K178-E182 IonicContact NZ-OE1 3.9Å; K178-E182 PolarHBondContact NZ-OE1 2.97Å; K178-E182 WeakPolarHBondContact O-CB 3.41Å; K178-E182 VanDerWaalsContact O-CG 3.25Å; K178-E182 WeakPolarHBondContact O-CG 3.44Å; K178-E182 PolarHBondContact O-N 2.76Å; E180-E182 VanDerWaalsContact C-N 3.29Å; E180-E182 PolarHBondContact O-N 2.92Å; E182-D186 PolarHBondContact O-N 3.43Å |
| 183 | K | 93.9 | Very high | 94 | Very high | 141 Ų | 141 | 104.7 Ų | 104.7 | 61% | 0.613 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.3 | -39.7 | 174.5 | -68.2 | 164.9 | -175.6 | 175.3 | 0 | 112 | K179 E180 I185 D186 T187 | K179-K183 WeakPolarHBondContact O-CD 3.34Å; K179-K183 VanDerWaalsContact O-CG 3.29Å; K179-K183 WeakPolarHBondContact O-CG 3.35Å; K179-K183 PolarHBondContact O-N 3.44Å; E180-K183 WeakPolarHBondContact O-CB 3.41Å; E180-K183 PolarHBondContact O-N 3.31Å; K183-I185 VanDerWaalsContact C-N 3.34Å; K183-D186 PolarHBondContact O-N 3.15Å; K183-T187 WeakPolarHBondContact O-CB 3.43Å; K183-T187 PolarHBondContact O-N 2.92Å; K183-T187 PolarHBondContact O-OG1 2.87Å |
| 184 | D | 95.4 | Very high | 94.5 | Very high | 83 Ų | 83 | 104.6 Ų | 104.6 | 44% | 0.444 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 177.3 | -67.7 | -15.7 | 0 | 0 | 0 | 110.5 | E180 L181 D186 T187 L188 | E180-D184 PolarHBondContact O-N 2.87Å; L181-D184 PolarHBondContact O-N 2.9Å; D184-D186 PolarHBondContact O-N 3.42Å; D184-T187 PolarHBondContact O-N 3.35Å; D184-L188 WeakPolarHBondContact O-CB 3.44Å; D184-L188 VanDerWaalsContact O-CG 3.31Å; D184-L188 WeakPolarHBondContact O-CG 3.43Å; D184-L188 PolarHBondContact O-N 3.36Å |
| 185 | I | 97.1 | Very high | 94.9 | Very high | 91 Ų | 91 | 102.6 Ų | 102.6 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 174.1 | -73.2 | 166.1 | 0 | 0 | 0 | 111.2 | L181 K183 T187 L188 K189 | L181-I185 WeakPolarHBondContact O-CB 3.44Å; L181-I185 WeakPolarHBondContact O-CD1 3.27Å; L181-I185 VanDerWaalsContact O-CG1 3.23Å; L181-I185 WeakPolarHBondContact O-CG1 3.49Å; L181-I185 PolarHBondContact O-N 2.82Å; K183-I185 VanDerWaalsContact C-N 3.34Å; I185-T187 VanDerWaalsContact C-N 3.34Å; I185-L188 PolarHBondContact O-N 3.41Å; I185-K189 HydrophobicContact CG2-CD 4.39Å; I185-K189 VanDerWaalsContact O-CG 3.31Å; I185-K189 WeakPolarHBondContact O-CG 3.4Å; I185-K189 PolarHBondContact O-N 3.03Å |
| 186 | D | 96.1 | Very high | 95.4 | Very high | 91 Ų | 91 | 104.6 Ų | 104.6 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.1 | -30.8 | 179.2 | -75 | -14.2 | 0 | 0 | 0 | 112.8 | E182 K183 D184 K189 K190 | E182-D186 PolarHBondContact O-N 3.43Å; K183-D186 PolarHBondContact O-N 3.15Å; D184-D186 PolarHBondContact O-N 3.42Å; D186-K189 IonicContact OD1-NZ 3.22Å; D186-K189 PolarHBondContact OD1-NZ 3.35Å; D186-K190 PolarHBondContact O-N 3.37Å; D186-K190 VanDerWaalsContact O-N 3.14Å |
| 187 | T | 96.7 | Very high | 95.9 | Very high | 73 Ų | 73 | 103.2 Ų | 103.2 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.5 | -48.3 | 171.2 | -54 | 0 | 0 | 0 | 0 | 110.5 | K183 D184 I185 K189 K190 D191 | K183-T187 WeakPolarHBondContact O-CB 3.43Å; K183-T187 PolarHBondContact O-N 2.92Å; K183-T187 PolarHBondContact O-OG1 2.87Å; D184-T187 PolarHBondContact O-N 3.35Å; I185-T187 VanDerWaalsContact C-N 3.34Å; T187-K189 VanDerWaalsContact C-N 3.33Å; T187-K189 PolarHBondContact O-N 2.83Å; T187-K190 WeakPolarHBondContact O-CA 3.07Å; T187-K190 WeakPolarHBondContact O-CB 2.98Å; T187-K190 PolarHBondContact O-N 2.91Å; T187-D191 VanDerWaalsContact O-CG 3.3Å; T187-D191 PolarHBondContact O-N 3.25Å |
| 188 | L | 96.6 | Very high | 96.3 | Very high | 103 Ų | 103 | 101.4 Ų | 101.4 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -37.4 | 176.2 | -71.6 | 170.7 | 0 | 0 | 0 | 112.9 | D184 I185 K190 D191 I192 | D184-L188 WeakPolarHBondContact O-CB 3.44Å; D184-L188 VanDerWaalsContact O-CG 3.31Å; D184-L188 WeakPolarHBondContact O-CG 3.43Å; D184-L188 PolarHBondContact O-N 3.36Å; I185-L188 PolarHBondContact O-N 3.41Å; L188-K190 VanDerWaalsContact C-N 3.31Å; L188-K190 PolarHBondContact O-N 3.45Å; L188-D191 PolarHBondContact O-N 2.92Å; L188-I192 WeakPolarHBondContact O-CB 3.41Å; L188-I192 WeakPolarHBondContact O-CD1 3.46Å; L188-I192 WeakPolarHBondContact O-CG1 3.24Å; L188-I192 PolarHBondContact O-N 3.07Å |
| 189 | K | 97.3 | Very high | 96.6 | Very high | 118 Ų | 118 | 102.3 Ų | 102.3 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 172.1 | -74.4 | 170 | -167.4 | 155.5 | 0 | 111.8 | I185 D186 T187 I192 E193 | I185-K189 HydrophobicContact CG2-CD 4.39Å; I185-K189 VanDerWaalsContact O-CG 3.31Å; I185-K189 WeakPolarHBondContact O-CG 3.4Å; I185-K189 PolarHBondContact O-N 3.03Å; D186-K189 IonicContact OD1-NZ 3.22Å; D186-K189 PolarHBondContact OD1-NZ 3.35Å; T187-K189 VanDerWaalsContact C-N 3.33Å; T187-K189 PolarHBondContact O-N 2.83Å; K189-I192 PolarHBondContact O-N 3.19Å; K189-E193 PolarHBondContact O-N 3.46Å; K189-E193 VanDerWaalsContact O-N 3.11Å |
| 190 | K | 97.8 | Very high | 96.9 | Very high | 122 Ų | 122 | 99.2 Ų | 99.2 | 53% | 0.53 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65 | -47.7 | 176.9 | -177.1 | -167.9 | 159.4 | -163.2 | 0 | 110.5 | D186 T187 L188 I192 E193 E194 | D186-K190 PolarHBondContact O-N 3.37Å; D186-K190 VanDerWaalsContact O-N 3.14Å; T187-K190 WeakPolarHBondContact O-CA 3.07Å; T187-K190 WeakPolarHBondContact O-CB 2.98Å; T187-K190 PolarHBondContact O-N 2.91Å; L188-K190 VanDerWaalsContact C-N 3.31Å; L188-K190 PolarHBondContact O-N 3.45Å; K190-I192 VanDerWaalsContact C-N 3.26Å; K190-I192 PolarHBondContact O-N 3.2Å; K190-E193 PolarHBondContact O-N 3.12Å; K190-E194 WeakPolarHBondContact CE-OE1 3.44Å; K190-E194 IonicContact NZ-OE1 3.33Å; K190-E194 PolarHBondContact NZ-OE1 3.42Å; K190-E194 PolarHBondContact O-N 2.94Å |
| 191 | D | 98.1 | Very high | 97.2 | Very high | 70 Ų | 70 | 98 Ų | 98 | 37% | 0.374 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.3 | -36.3 | 177.9 | -61.7 | -13.4 | 0 | 0 | 0 | 111.8 | T187 L188 T195 | T187-D191 VanDerWaalsContact O-CG 3.3Å; T187-D191 PolarHBondContact O-N 3.25Å; L188-D191 PolarHBondContact O-N 2.92Å; D191-T195 VanDerWaalsContact O-CB 3.26Å; D191-T195 WeakPolarHBondContact O-CB 3.43Å; D191-T195 PolarHBondContact O-N 3.47Å; D191-T195 PolarHBondContact O-OG1 3.48Å |
| 192 | I | 98.4 | Very high | 97.3 | Very high | 113 Ų | 113 | 98.9 Ų | 98.9 | 58% | 0.579 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.1 | -45.2 | 172.4 | -73.2 | 164 | 0 | 0 | 0 | 111.4 | L188 K189 K190 T195 K196 | L188-I192 WeakPolarHBondContact O-CB 3.41Å; L188-I192 WeakPolarHBondContact O-CD1 3.46Å; L188-I192 WeakPolarHBondContact O-CG1 3.24Å; L188-I192 PolarHBondContact O-N 3.07Å; K189-I192 PolarHBondContact O-N 3.19Å; K190-I192 VanDerWaalsContact C-N 3.26Å; K190-I192 PolarHBondContact O-N 3.2Å; I192-T195 PolarHBondContact O-N 3.18Å; I192-K196 VanDerWaalsContact O-CB 3.28Å; I192-K196 WeakPolarHBondContact O-CB 3.29Å; I192-K196 PolarHBondContact O-N 2.93Å |
| 193 | E | 98 | Very high | 97.5 | Very high | 101 Ų | 101 | 99.1 Ų | 99.1 | 47% | 0.472 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.9 | -36.4 | 179.8 | -168.1 | 61 | -151.4 | 0 | 0 | 111.8 | K189 K190 K196 Q197 | K189-E193 PolarHBondContact O-N 3.46Å; K189-E193 VanDerWaalsContact O-N 3.11Å; K190-E193 PolarHBondContact O-N 3.12Å; E193-K196 PolarHBondContact O-N 2.97Å; E193-K196 IonicContact OE1-NZ 2.98Å; E193-K196 PolarHBondContact OE1-NZ 3.46Å; E193-K196 IonicContact OE2-NZ 3.9Å; E193-K196 PolarHBondContact OE2-NZ 3.4Å; E193-Q197 WeakPolarHBondContact O-CB 3.36Å; E193-Q197 PolarHBondContact O-N 3.03Å |
| 194 | E | 98.3 | Very high | 97.7 | Very high | 90 Ų | 90 | 97.9 Ų | 97.9 | 42% | 0.421 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.5 | -41 | 171.6 | -70.2 | -173.8 | 174.8 | 0 | 0 | 111.7 | K190 K196 Q197 T198 | K190-E194 WeakPolarHBondContact CE-OE1 3.44Å; K190-E194 IonicContact NZ-OE1 3.33Å; K190-E194 PolarHBondContact NZ-OE1 3.42Å; K190-E194 PolarHBondContact O-N 2.94Å; E194-K196 VanDerWaalsContact C-N 3.35Å; E194-Q197 PolarHBondContact O-N 2.86Å; E194-T198 WeakPolarHBondContact O-CG2 3.25Å; E194-T198 PolarHBondContact O-N 3.43Å; E194-T198 PolarHBondContact O-OG1 2.91Å |
| 195 | T | 98.1 | Very high | 97.9 | Very high | 95 Ų | 95 | 98.3 Ų | 98.3 | 58% | 0.583 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.3 | -37.6 | 174.1 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | D191 I192 T198 R199 | D191-T195 VanDerWaalsContact O-CB 3.26Å; D191-T195 WeakPolarHBondContact O-CB 3.43Å; D191-T195 PolarHBondContact O-N 3.47Å; D191-T195 PolarHBondContact O-OG1 3.48Å; I192-T195 PolarHBondContact O-N 3.18Å; T195-T198 WeakPolarHBondContact CA-OG1 3.29Å; T195-T198 PolarHBondContact O-OG1 3.3Å; T195-R199 WeakPolarHBondContact O-CB 3.33Å; T195-R199 PolarHBondContact O-N 2.9Å |
| 196 | K | 98.5 | Very high | 97.9 | Very high | 86 Ų | 86 | 99.1 Ų | 99.1 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69 | -43.2 | 175.3 | 175.5 | 173.2 | 150.8 | -109.5 | 0 | 111.4 | I192 E193 E194 T198 R199 D200 | I192-K196 VanDerWaalsContact O-CB 3.28Å; I192-K196 WeakPolarHBondContact O-CB 3.29Å; I192-K196 PolarHBondContact O-N 2.93Å; E193-K196 PolarHBondContact O-N 2.97Å; E193-K196 IonicContact OE1-NZ 2.98Å; E193-K196 PolarHBondContact OE1-NZ 3.46Å; E193-K196 IonicContact OE2-NZ 3.9Å; E193-K196 PolarHBondContact OE2-NZ 3.4Å; E194-K196 VanDerWaalsContact C-N 3.35Å; K196-T198 PolarHBondContact O-N 2.73Å; K196-R199 WeakPolarHBondContact O-CB 3.4Å; K196-R199 PolarHBondContact O-N 3.03Å; K196-D200 WeakPolarHBondContact O-CB 3.37Å; K196-D200 PolarHBondContact O-N 2.93Å; K196-D200 VanDerWaalsContact O-OD1 3.13Å |
| 197 | Q | 98.4 | Very high | 98 | Very high | 134 Ų | 134 | 99 Ų | 99 | 63% | 0.626 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.2 | -43.5 | 175.8 | -176.5 | -177.7 | -1.3 | 0 | 0 | 111.8 | E193 E194 D200 Q201 | E193-Q197 WeakPolarHBondContact O-CB 3.36Å; E193-Q197 PolarHBondContact O-N 3.03Å; E194-Q197 PolarHBondContact O-N 2.86Å; Q197-D200 PolarHBondContact O-N 2.95Å; Q197-Q201 WeakPolarHBondContact O-CB 3.34Å; Q197-Q201 PolarHBondContact O-N 3.35Å |
| 198 | T | 98.2 | Very high | 98 | Very high | 83 Ų | 83 | 101.3 Ų | 101.3 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 177.1 | 47.2 | 0 | 0 | 0 | 0 | 112.1 | E194 T195 K196 Q201 L202 | E194-T198 WeakPolarHBondContact O-CG2 3.25Å; E194-T198 PolarHBondContact O-N 3.43Å; E194-T198 PolarHBondContact O-OG1 2.91Å; T195-T198 WeakPolarHBondContact CA-OG1 3.29Å; T195-T198 PolarHBondContact O-OG1 3.3Å; K196-T198 PolarHBondContact O-N 2.73Å; T198-Q201 PolarHBondContact O-N 3.37Å; T198-L202 WeakPolarHBondContact O-CG 3.42Å; T198-L202 PolarHBondContact O-N 3.34Å |
| 199 | R | 98.5 | Very high | 98.1 | Very high | 145 Ų | 145 | 101 Ų | 101 | 55% | 0.547 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.4 | -48.2 | 169.5 | -177.5 | -157.1 | 72.7 | 147 | 0 | 111.9 | T195 K196 Q201 L202 Q203 | T195-R199 WeakPolarHBondContact O-CB 3.33Å; T195-R199 PolarHBondContact O-N 2.9Å; K196-R199 WeakPolarHBondContact O-CB 3.4Å; K196-R199 PolarHBondContact O-N 3.03Å; R199-Q201 VanDerWaalsContact C-N 3.28Å; R199-Q201 PolarHBondContact O-N 2.89Å; R199-L202 PolarHBondContact O-N 3.01Å; R199-Q203 WeakPolarHBondContact O-CB 3.41Å; R199-Q203 PolarHBondContact O-N 3.45Å |
| 200 | D | 98.1 | Very high | 98.2 | Very high | 51 Ų | 51 | 99.6 Ų | 99.6 | 27% | 0.273 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.6 | -30.6 | -177.5 | -67.3 | 2.6 | 0 | 0 | 0 | 111.8 | K196 Q197 K204 | K196-D200 WeakPolarHBondContact O-CB 3.37Å; K196-D200 PolarHBondContact O-N 2.93Å; K196-D200 VanDerWaalsContact O-OD1 3.13Å; Q197-D200 PolarHBondContact O-N 2.95Å; D200-K204 WeakPolarHBondContact O-CG 3.36Å; D200-K204 PolarHBondContact O-N 3.44Å |
| 201 | Q | 98.3 | Very high | 98.2 | Very high | 92 Ų | 92 | 98.2 Ų | 98.2 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.9 | -48.8 | 171.3 | 179.5 | 58.4 | 28.6 | 0 | 0 | 111.6 | Q197 T198 R199 Q203 K204 E205 | Q197-Q201 WeakPolarHBondContact O-CB 3.34Å; Q197-Q201 PolarHBondContact O-N 3.35Å; T198-Q201 PolarHBondContact O-N 3.37Å; R199-Q201 VanDerWaalsContact C-N 3.28Å; R199-Q201 PolarHBondContact O-N 2.89Å; Q201-Q203 VanDerWaalsContact C-N 3.28Å; Q201-Q203 PolarHBondContact O-N 3.23Å; Q201-K204 PolarHBondContact O-N 2.9Å; Q201-E205 PolarHBondContact NE2-OE1 2.91Å; Q201-E205 PolarHBondContact O-N 2.9Å |
| 202 | L | 98.1 | Very high | 98.2 | Very high | 112 Ų | 112 | 98.8 Ų | 98.8 | 59% | 0.586 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62 | -35.3 | 176.9 | -71.7 | 170.6 | 0 | 0 | 0 | 112.3 | T198 R199 E205 M206 | T198-L202 WeakPolarHBondContact O-CG 3.42Å; T198-L202 PolarHBondContact O-N 3.34Å; R199-L202 PolarHBondContact O-N 3.01Å; L202-E205 PolarHBondContact O-N 3.28Å; L202-M206 WeakPolarHBondContact O-CB 3.44Å; L202-M206 PolarHBondContact O-N 2.99Å |
| 203 | Q | 98.1 | Very high | 98.1 | Very high | 88 Ų | 88 | 96.7 Ų | 96.7 | 41% | 0.411 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 174.6 | -174.5 | -178.9 | -33 | 0 | 0 | 111.4 | R199 Q201 E205 M206 E207 | R199-Q203 WeakPolarHBondContact O-CB 3.41Å; R199-Q203 PolarHBondContact O-N 3.45Å; Q201-Q203 VanDerWaalsContact C-N 3.28Å; Q201-Q203 PolarHBondContact O-N 3.23Å; Q203-E205 VanDerWaalsContact C-N 3.33Å; Q203-E205 PolarHBondContact O-N 3.45Å; Q203-M206 WeakPolarHBondContact O-CB 3.47Å; Q203-M206 PolarHBondContact O-N 2.94Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.49Å; Q203-E207 PolarHBondContact NE2-OE1 3.14Å; Q203-E207 WeakPolarHBondContact O-CG 3.29Å; Q203-E207 PolarHBondContact O-N 3.32Å |
| 204 | K | 98 | Very high | 98.1 | Very high | 115 Ų | 115 | 96.3 Ų | 96.3 | 50% | 0.5 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 175.5 | -69.5 | 166.6 | -173.1 | 170.5 | 0 | 112.5 | D200 Q201 M206 E207 L208 | D200-K204 WeakPolarHBondContact O-CG 3.36Å; D200-K204 PolarHBondContact O-N 3.44Å; Q201-K204 PolarHBondContact O-N 2.9Å; K204-M206 VanDerWaalsContact C-N 3.33Å; K204-E207 PolarHBondContact O-N 3.4Å; K204-L208 WeakPolarHBondContact O-CB 3.49Å; K204-L208 VanDerWaalsContact O-CG 3.28Å; K204-L208 WeakPolarHBondContact O-CG 3.47Å; K204-L208 PolarHBondContact O-N 2.94Å |
| 205 | E | 98.2 | Very high | 98.1 | Very high | 92 Ų | 92 | 97.4 Ų | 97.4 | 43% | 0.43 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 174.9 | -72.6 | 171.3 | -163 | 0 | 0 | 111.3 | Q201 L202 Q203 V209 | Q201-E205 PolarHBondContact NE2-OE1 2.91Å; Q201-E205 PolarHBondContact O-N 2.9Å; L202-E205 PolarHBondContact O-N 3.28Å; Q203-E205 VanDerWaalsContact C-N 3.33Å; Q203-E205 PolarHBondContact O-N 3.45Å; E205-V209 VanDerWaalsContact O-CG2 3.32Å; E205-V209 WeakPolarHBondContact O-CG2 3.38Å; E205-V209 PolarHBondContact O-N 3.25Å |
| 206 | M | 98.1 | Very high | 98 | Very high | 107 Ų | 107 | 97.3 Ų | 97.3 | 53% | 0.527 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.4 | -47.7 | 173.1 | -167.3 | -177.4 | 73.9 | 0 | 0 | 111.9 | L202 Q203 K204 L208 V209 E210 | L202-M206 WeakPolarHBondContact O-CB 3.44Å; L202-M206 PolarHBondContact O-N 2.99Å; Q203-M206 WeakPolarHBondContact O-CB 3.47Å; Q203-M206 PolarHBondContact O-N 2.94Å; K204-M206 VanDerWaalsContact C-N 3.33Å; M206-L208 PolarHBondContact O-N 3.01Å; M206-V209 PolarHBondContact O-N 2.89Å; M206-E210 WeakPolarHBondContact O-CG 3.49Å; M206-E210 PolarHBondContact O-N 3.24Å |
| 207 | E | 97.9 | Very high | 98 | Very high | 88 Ų | 88 | 99.4 Ų | 99.4 | 41% | 0.411 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 176.5 | -73.2 | 168.7 | -169.8 | 0 | 0 | 111.7 | Q203 K204 E210 D211 | Q203-E207 WeakPolarHBondContact CG-OE1 3.49Å; Q203-E207 PolarHBondContact NE2-OE1 3.14Å; Q203-E207 WeakPolarHBondContact O-CG 3.29Å; Q203-E207 PolarHBondContact O-N 3.32Å; K204-E207 PolarHBondContact O-N 3.4Å; E207-E210 PolarHBondContact O-N 3.04Å; E207-D211 WeakPolarHBondContact O-CB 3.39Å; E207-D211 PolarHBondContact O-N 3.43Å |
| 208 | L | 98.1 | Very high | 98 | Very high | 122 Ų | 122 | 96.3 Ų | 96.3 | 64% | 0.639 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.1 | -41.7 | 175 | -77.9 | 168.7 | 0 | 0 | 0 | 112.9 | K204 M206 E212 | K204-L208 WeakPolarHBondContact O-CB 3.49Å; K204-L208 VanDerWaalsContact O-CG 3.28Å; K204-L208 WeakPolarHBondContact O-CG 3.47Å; K204-L208 PolarHBondContact O-N 2.94Å; M206-L208 PolarHBondContact O-N 3.01Å; L208-E212 WeakPolarHBondContact O-CB 3.33Å; L208-E212 PolarHBondContact O-N 3.07Å |
| 209 | V | 98.2 | Very high | 97.9 | Very high | 97 Ų | 97 | 95.1 Ų | 95.1 | 59% | 0.588 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -69.5 | -40.6 | 177.7 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | E205 M206 D211 E212 V213 | E205-V209 VanDerWaalsContact O-CG2 3.32Å; E205-V209 WeakPolarHBondContact O-CG2 3.38Å; E205-V209 PolarHBondContact O-N 3.25Å; M206-V209 PolarHBondContact O-N 2.89Å; V209-D211 VanDerWaalsContact C-N 3.35Å; V209-D211 PolarHBondContact O-N 2.93Å; V209-E212 PolarHBondContact O-N 2.9Å; V209-V213 WeakPolarHBondContact O-CG2 3.37Å; V209-V213 PolarHBondContact O-N 2.77Å |
| 210 | E | 98.3 | Very high | 97.8 | Very high | 89 Ų | 89 | 94.4 Ų | 94.4 | 42% | 0.416 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 174 | -77 | -171.8 | -165.9 | 0 | 0 | 112.2 | M206 E207 V213 K214 | M206-E210 WeakPolarHBondContact O-CG 3.49Å; M206-E210 PolarHBondContact O-N 3.24Å; E207-E210 PolarHBondContact O-N 3.04Å; E210-V213 PolarHBondContact O-N 3.29Å; E210-K214 WeakPolarHBondContact O-CE 3.36Å; E210-K214 VanDerWaalsContact O-CG 3.24Å; E210-K214 WeakPolarHBondContact O-CG 3.39Å; E210-K214 PolarHBondContact O-N 2.93Å; E210-K214 IonicContact OE2-NZ 2.75Å; E210-K214 PolarHBondContact OE2-NZ 3.41Å |
| 211 | D | 97.7 | Very high | 97.7 | Very high | 93 Ų | 93 | 98.5 Ų | 98.5 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.2 | -33.8 | 179.6 | -77.2 | -2.9 | 0 | 0 | 0 | 112.4 | E207 V209 K214 R215 | E207-D211 WeakPolarHBondContact O-CB 3.39Å; E207-D211 PolarHBondContact O-N 3.43Å; V209-D211 VanDerWaalsContact C-N 3.35Å; V209-D211 PolarHBondContact O-N 2.93Å; D211-K214 PolarHBondContact O-N 3.44Å; D211-K214 IonicContact OD1-NZ 2.61Å; D211-K214 PolarHBondContact OD1-NZ 2.69Å; D211-R215 VanDerWaalsContact O-CB 3.3Å; D211-R215 WeakPolarHBondContact O-CB 3.43Å; D211-R215 PolarHBondContact O-N 2.94Å |
| 212 | E | 97.8 | Very high | 97.6 | Very high | 81 Ų | 81 | 99.7 Ų | 99.7 | 38% | 0.379 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 170.4 | 179.1 | 63 | -178.4 | 0 | 0 | 111.9 | L208 V209 R215 L216 | L208-E212 WeakPolarHBondContact O-CB 3.33Å; L208-E212 PolarHBondContact O-N 3.07Å; V209-E212 PolarHBondContact O-N 2.9Å; E212-R215 WeakPolarHBondContact O-CB 3.44Å; E212-R215 PolarHBondContact O-N 2.95Å; E212-R215 IonicContact OE1-CZ 3.01Å; E212-R215 IonicContact OE1-NE 3.68Å; E212-R215 IonicContact OE1-NH2 2.64Å; E212-R215 PolarHBondContact OE1-NH2 3.48Å; E212-R215 IonicContact OE2-CZ 2.72Å; E212-R215 VanDerWaalsContact OE2-CZ 3.28Å; E212-R215 IonicContact OE2-NE 3.28Å; E212-R215 PolarHBondContact OE2-NE 3.2Å; E212-R215 IonicContact OE2-NH2 2.76Å; E212-R215 PolarHBondContact OE2-NH2 3.49Å; E212-L216 HydrophobicContact CG-CD1 4.2Å; E212-L216 WeakPolarHBondContact O-CB 3.41Å; E212-L216 VanDerWaalsContact O-CG 3.29Å; E212-L216 WeakPolarHBondContact O-CG 3.34Å; E212-L216 PolarHBondContact O-N 2.83Å |
| 213 | V | 97.6 | Very high | 97.5 | Very high | 70 Ų | 70 | 98.4 Ų | 98.4 | 42% | 0.424 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.8 | -49.9 | 173.5 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | V209 E210 R215 L216 E217 | V209-V213 WeakPolarHBondContact O-CG2 3.37Å; V209-V213 PolarHBondContact O-N 2.77Å; E210-V213 PolarHBondContact O-N 3.29Å; V213-R215 VanDerWaalsContact C-N 3.27Å; V213-R215 PolarHBondContact O-N 3.38Å; V213-L216 PolarHBondContact O-N 3.48Å; V213-E217 WeakPolarHBondContact O-CG 3.5Å; V213-E217 PolarHBondContact O-N 2.86Å |
| 214 | K | 97.5 | Very high | 97.3 | Very high | 92 Ų | 92 | 97.2 Ų | 97.2 | 40% | 0.4 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -56.7 | -42.2 | 175.8 | -67.6 | 162.1 | -151.7 | 155 | 0 | 111 | E210 D211 E217 T218 | E210-K214 WeakPolarHBondContact O-CE 3.36Å; E210-K214 VanDerWaalsContact O-CG 3.24Å; E210-K214 WeakPolarHBondContact O-CG 3.39Å; E210-K214 PolarHBondContact O-N 2.93Å; E210-K214 IonicContact OE2-NZ 2.75Å; E210-K214 PolarHBondContact OE2-NZ 3.41Å; D211-K214 PolarHBondContact O-N 3.44Å; D211-K214 IonicContact OD1-NZ 2.61Å; D211-K214 PolarHBondContact OD1-NZ 2.69Å; K214-E217 PolarHBondContact O-N 3.47Å; K214-T218 WeakPolarHBondContact O-CG2 3.44Å; K214-T218 PolarHBondContact O-N 2.88Å |
| 215 | R | 97.8 | Very high | 97.1 | Very high | 114 Ų | 114 | 95.8 Ų | 95.8 | 43% | 0.43 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.2 | -52.8 | 176.9 | -170.3 | -176.9 | 70.3 | 79.9 | -6.7 | 110.9 | D211 E212 V213 E217 T218 D219 | D211-R215 VanDerWaalsContact O-CB 3.3Å; D211-R215 WeakPolarHBondContact O-CB 3.43Å; D211-R215 PolarHBondContact O-N 2.94Å; E212-R215 WeakPolarHBondContact O-CB 3.44Å; E212-R215 PolarHBondContact O-N 2.95Å; E212-R215 IonicContact OE1-CZ 3.01Å; E212-R215 IonicContact OE1-NE 3.68Å; E212-R215 IonicContact OE1-NH2 2.64Å; E212-R215 PolarHBondContact OE1-NH2 3.48Å; E212-R215 IonicContact OE2-CZ 2.72Å; E212-R215 VanDerWaalsContact OE2-CZ 3.28Å; E212-R215 IonicContact OE2-NE 3.28Å; E212-R215 PolarHBondContact OE2-NE 3.2Å; E212-R215 IonicContact OE2-NH2 2.76Å; E212-R215 PolarHBondContact OE2-NH2 3.49Å; V213-R215 VanDerWaalsContact C-N 3.27Å; V213-R215 PolarHBondContact O-N 3.38Å; R215-E217 VanDerWaalsContact C-N 3.32Å; R215-E217 PolarHBondContact O-N 2.95Å; R215-T218 PolarHBondContact O-N 3.48Å; R215-T218 VanDerWaalsContact O-N 3.14Å; R215-T218 PolarHBondContact O-OG1 3.5Å; R215-D219 IonicContact NH1-OD2 2.64Å; R215-D219 PolarHBondContact NH1-OD2 2.99Å; R215-D219 WeakPolarHBondContact O-CB 3.26Å; R215-D219 PolarHBondContact O-N 2.84Å |
| 216 | L | 97.6 | Very high | 96.9 | Very high | 92 Ų | 92 | 94.1 Ų | 94.1 | 48% | 0.482 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59 | -39.8 | 178.5 | -70.4 | 170.4 | 0 | 0 | 0 | 112.5 | E212 V213 D219 H220 | E212-L216 HydrophobicContact CG-CD1 4.2Å; E212-L216 WeakPolarHBondContact O-CB 3.41Å; E212-L216 VanDerWaalsContact O-CG 3.29Å; E212-L216 WeakPolarHBondContact O-CG 3.34Å; E212-L216 PolarHBondContact O-N 2.83Å; V213-L216 PolarHBondContact O-N 3.48Å; L216-D219 PolarHBondContact O-N 3.17Å; L216-H220 VanDerWaalsContact O-CB 3.26Å; L216-H220 WeakPolarHBondContact O-CB 3.47Å; L216-H220 PolarHBondContact O-N 3.39Å |
| 217 | E | 97.6 | Very high | 96.5 | Very high | 130 Ų | 130 | 93 Ų | 93 | 61% | 0.607 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.3 | -46.1 | 173.6 | -73.2 | -177.5 | 163.8 | 0 | 0 | 112.1 | V213 K214 R215 K221 | V213-E217 WeakPolarHBondContact O-CG 3.5Å; V213-E217 PolarHBondContact O-N 2.86Å; K214-E217 PolarHBondContact O-N 3.47Å; R215-E217 VanDerWaalsContact C-N 3.32Å; R215-E217 PolarHBondContact O-N 2.95Å; E217-K221 WeakPolarHBondContact O-CB 3.39Å; E217-K221 PolarHBondContact O-N 3.23Å |
| 218 | T | 97.6 | Very high | 96 | Very high | 70 Ų | 70 | 91.6 Ų | 91.6 | 43% | 0.429 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.9 | -36.4 | 178.1 | 67 | 0 | 0 | 0 | 0 | 112.7 | K214 R215 K221 K222 | K214-T218 WeakPolarHBondContact O-CG2 3.44Å; K214-T218 PolarHBondContact O-N 2.88Å; R215-T218 PolarHBondContact O-N 3.48Å; R215-T218 VanDerWaalsContact O-N 3.14Å; R215-T218 PolarHBondContact O-OG1 3.5Å; T218-K221 PolarHBondContact O-N 2.94Å; T218-K222 WeakPolarHBondContact O-CD 3.36Å; T218-K222 WeakPolarHBondContact O-CG 3.33Å; T218-K222 PolarHBondContact O-N 3.22Å; T218-K222 PolarHBondContact OG1-NZ 3.08Å |
| 219 | D | 97.1 | Very high | 95.5 | Very high | 58 Ų | 58 | 91.2 Ų | 91.2 | 31% | 0.31 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71.2 | -40.7 | 178.5 | -70.7 | -16.7 | 0 | 0 | 0 | 110.9 | R215 L216 K222 E223 | R215-D219 IonicContact NH1-OD2 2.64Å; R215-D219 PolarHBondContact NH1-OD2 2.99Å; R215-D219 WeakPolarHBondContact O-CB 3.26Å; R215-D219 PolarHBondContact O-N 2.84Å; L216-D219 PolarHBondContact O-N 3.17Å; D219-K222 PolarHBondContact O-N 3.47Å; D219-K222 IonicContact OD1-NZ 3.28Å; D219-K222 PolarHBondContact OD1-NZ 2.95Å; D219-E223 PolarHBondContact O-N 2.94Å |
| 220 | H | 96.8 | Very high | 94.8 | Very high | 130 Ų | 130 | 91.7 Ų | 91.7 | 60% | 0.602 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60 | -46.4 | 171.1 | 180 | 62.9 | 0 | 0 | 0 | 111.8 | L216 K222 E223 V224 | L216-H220 VanDerWaalsContact O-CB 3.26Å; L216-H220 WeakPolarHBondContact O-CB 3.47Å; L216-H220 PolarHBondContact O-N 3.39Å; H220-K222 PolarHBondContact O-N 3.42Å; H220-E223 PolarHBondContact O-N 3.02Å; H220-V224 WeakPolarHBondContact O-CG2 3.35Å; H220-V224 PolarHBondContact O-N 3.06Å |
| 221 | K | 96.6 | Very high | 94 | Very high | 136 Ų | 136 | 93.6 Ų | 93.6 | 59% | 0.591 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -59.7 | -47.5 | 177.6 | -176.2 | 177.1 | 178.3 | -180 | 0 | 112.2 | E217 T218 E223 V224 D225 | E217-K221 WeakPolarHBondContact O-CB 3.39Å; E217-K221 PolarHBondContact O-N 3.23Å; T218-K221 PolarHBondContact O-N 2.94Å; K221-E223 VanDerWaalsContact C-N 3.3Å; K221-E223 PolarHBondContact O-N 3.36Å; K221-V224 PolarHBondContact O-N 3.38Å; K221-D225 PolarHBondContact O-N 3.29Å |
| 222 | K | 95.2 | Very high | 93.1 | Very high | 117 Ų | 117 | 96.3 Ų | 96.3 | 51% | 0.509 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.9 | -41.5 | 176.1 | -70 | 162.1 | -162.7 | 143 | 0 | 111.8 | T218 D219 H220 D225 N226 | T218-K222 WeakPolarHBondContact O-CD 3.36Å; T218-K222 WeakPolarHBondContact O-CG 3.33Å; T218-K222 PolarHBondContact O-N 3.22Å; T218-K222 PolarHBondContact OG1-NZ 3.08Å; D219-K222 PolarHBondContact O-N 3.47Å; D219-K222 IonicContact OD1-NZ 3.28Å; D219-K222 PolarHBondContact OD1-NZ 2.95Å; H220-K222 PolarHBondContact O-N 3.42Å; K222-D225 PolarHBondContact O-N 2.97Å; K222-N226 WeakPolarHBondContact O-CB 3.37Å; K222-N226 PolarHBondContact O-N 3.35Å |
| 223 | E | 95.1 | Very high | 91.8 | Very high | 86 Ų | 86 | 98.1 Ų | 98.1 | 40% | 0.402 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -71.7 | -35.7 | -179.7 | -171.6 | 57.2 | -165.4 | 0 | 0 | 112.1 | D219 H220 K221 N226 L227 | D219-E223 PolarHBondContact O-N 2.94Å; H220-E223 PolarHBondContact O-N 3.02Å; K221-E223 VanDerWaalsContact C-N 3.3Å; K221-E223 PolarHBondContact O-N 3.36Å; E223-N226 PolarHBondContact O-N 2.88Å; E223-N226 PolarHBondContact OE2-ND2 3.38Å; E223-L227 HydrophobicContact CG-CD1 4.26Å; E223-L227 WeakPolarHBondContact O-CB 3.44Å; E223-L227 VanDerWaalsContact O-CG 3.22Å; E223-L227 WeakPolarHBondContact O-CG 3.29Å; E223-L227 PolarHBondContact O-N 3.47Å |
| 224 | V | 94.7 | Very high | 90 | Very high | 62 Ų | 62 | 99.2 Ų | 99.2 | 38% | 0.376 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 170.1 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | H220 K221 N226 L227 C228 | H220-V224 WeakPolarHBondContact O-CG2 3.35Å; H220-V224 PolarHBondContact O-N 3.06Å; K221-V224 PolarHBondContact O-N 3.38Å; V224-N226 PolarHBondContact O-N 3.34Å; V224-L227 PolarHBondContact O-N 2.92Å; V224-C228 WeakPolarHBondContact O-CB 3.5Å; V224-C228 PolarHBondContact O-N 3.07Å |
| 225 | D | 94 | Very high | 87.9 | Confident | 86 Ų | 86 | 103.4 Ų | 103.4 | 46% | 0.46 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 177.5 | -71.5 | -31.2 | 0 | 0 | 0 | 111.1 | K221 K222 C228 E229 | K221-D225 PolarHBondContact O-N 3.29Å; K222-D225 PolarHBondContact O-N 2.97Å; D225-C228 WeakPolarHBondContact O-CB 3.35Å; D225-C228 PolarHBondContact O-N 3.15Å; D225-E229 PolarHBondContact O-N 2.96Å |
| 226 | N | 93.5 | Very high | 85.3 | Confident | 57 Ų | 57 | 103.5 Ų | 103.5 | 31% | 0.305 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 175.4 | -176.7 | 10.8 | 0 | 0 | 0 | 112.6 | K222 E223 V224 E229 K230 | K222-N226 WeakPolarHBondContact O-CB 3.37Å; K222-N226 PolarHBondContact O-N 3.35Å; E223-N226 PolarHBondContact O-N 2.88Å; E223-N226 PolarHBondContact OE2-ND2 3.38Å; V224-N226 PolarHBondContact O-N 3.34Å; N226-E229 PolarHBondContact O-N 2.81Å; N226-K230 VanDerWaalsContact CG-NZ 3.33Å; N226-K230 PolarHBondContact ND2-NZ 3.5Å; N226-K230 VanDerWaalsContact ND2-NZ 3.11Å; N226-K230 WeakPolarHBondContact O-CB 3.28Å; N226-K230 WeakPolarHBondContact O-CD 3.37Å; N226-K230 VanDerWaalsContact O-CG 3.29Å; N226-K230 WeakPolarHBondContact O-CG 3.37Å; N226-K230 PolarHBondContact O-N 2.9Å; N226-K230 WeakPolarHBondContact OD1-CE 3.43Å; N226-K230 PolarHBondContact OD1-NZ 2.64Å |
| 227 | L | 90.4 | Very high | 82.6 | Confident | 84 Ų | 84 | 106.7 Ų | 106.7 | 44% | 0.44 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 174.5 | -71.6 | 169.9 | 0 | 0 | 0 | 111.5 | E223 V224 K230 I231 | E223-L227 HydrophobicContact CG-CD1 4.26Å; E223-L227 WeakPolarHBondContact O-CB 3.44Å; E223-L227 VanDerWaalsContact O-CG 3.22Å; E223-L227 WeakPolarHBondContact O-CG 3.29Å; E223-L227 PolarHBondContact O-N 3.47Å; V224-L227 PolarHBondContact O-N 2.92Å; L227-K230 HydrophobicContact CD2-CD 4.45Å; L227-K230 PolarHBondContact O-N 2.65Å; L227-I231 WeakPolarHBondContact O-CD1 3.47Å; L227-I231 VanDerWaalsContact O-CG1 3.25Å; L227-I231 WeakPolarHBondContact O-CG1 3.39Å; L227-I231 PolarHBondContact O-N 3.49Å |
| 228 | C | 86.4 | Confident | 80 | Confident | 57 Ų | 57 | 106 Ų | 106 | 39% | 0.385 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 173.2 | -79 | 0 | 0 | 0 | 0 | 112.7 | V224 D225 I231 K232 | V224-C228 WeakPolarHBondContact O-CB 3.5Å; V224-C228 PolarHBondContact O-N 3.07Å; D225-C228 WeakPolarHBondContact O-CB 3.35Å; D225-C228 PolarHBondContact O-N 3.15Å; C228-I231 PolarHBondContact O-N 3.22Å; C228-K232 VanDerWaalsContact O-CG 3.3Å; C228-K232 WeakPolarHBondContact O-CG 3.47Å; C228-K232 PolarHBondContact O-N 3.21Å |
| 229 | E | 88.4 | Confident | 77.2 | Confident | 115 Ų | 115 | 109.6 Ų | 109.6 | 54% | 0.537 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.6 | -44.5 | 172.6 | -76 | -171.4 | 171.7 | 0 | 0 | 112.1 | D225 N226 I231 K232 N233 | D225-E229 PolarHBondContact O-N 2.96Å; N226-E229 PolarHBondContact O-N 2.81Å; E229-I231 VanDerWaalsContact C-N 3.28Å; E229-I231 PolarHBondContact O-N 2.94Å; E229-K232 PolarHBondContact O-N 2.87Å; E229-N233 VanDerWaalsContact O-CB 3.26Å; E229-N233 WeakPolarHBondContact O-CB 3.23Å; E229-N233 PolarHBondContact O-N 3.16Å; E229-N233 PolarHBondContact O-ND2 2.85Å |
| 230 | K | 84.2 | Confident | 74.8 | Confident | 107 Ų | 107 | 114.1 Ų | 114.1 | 47% | 0.465 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59.1 | -38 | 174.7 | -75.1 | 162 | 177.9 | 156.1 | 0 | 112.3 | N226 L227 S234 | N226-K230 VanDerWaalsContact CG-NZ 3.33Å; N226-K230 PolarHBondContact ND2-NZ 3.5Å; N226-K230 VanDerWaalsContact ND2-NZ 3.11Å; N226-K230 WeakPolarHBondContact O-CB 3.28Å; N226-K230 WeakPolarHBondContact O-CD 3.37Å; N226-K230 VanDerWaalsContact O-CG 3.29Å; N226-K230 WeakPolarHBondContact O-CG 3.37Å; N226-K230 PolarHBondContact O-N 2.9Å; N226-K230 WeakPolarHBondContact OD1-CE 3.43Å; N226-K230 PolarHBondContact OD1-NZ 2.64Å; L227-K230 HydrophobicContact CD2-CD 4.45Å; L227-K230 PolarHBondContact O-N 2.65Å; K230-S234 WeakPolarHBondContact O-CB 3.46Å; K230-S234 PolarHBondContact O-N 3.23Å |
| 231 | I | 79.7 | Confident | 72 | Confident | 129 Ų | 129 | 114.8 Ų | 114.8 | 66% | 0.662 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.7 | -45.6 | 175.4 | -69.7 | 163.3 | 0 | 0 | 0 | 110.9 | L227 C228 E229 S234 | L227-I231 WeakPolarHBondContact O-CD1 3.47Å; L227-I231 VanDerWaalsContact O-CG1 3.25Å; L227-I231 WeakPolarHBondContact O-CG1 3.39Å; L227-I231 PolarHBondContact O-N 3.49Å; C228-I231 PolarHBondContact O-N 3.22Å; E229-I231 VanDerWaalsContact C-N 3.28Å; E229-I231 PolarHBondContact O-N 2.94Å; I231-S234 WeakPolarHBondContact O-CB 3.29Å; I231-S234 PolarHBondContact O-N 3.05Å |
| 232 | K | 79.6 | Confident | 69.1 | Low | 149 Ų | 149 | 112.4 Ų | 112.4 | 65% | 0.648 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.1 | -46.6 | 176.3 | -70.3 | 166.5 | -176.2 | 172.9 | 0 | 112.1 | C228 E229 S234 E235 | C228-K232 VanDerWaalsContact O-CG 3.3Å; C228-K232 WeakPolarHBondContact O-CG 3.47Å; C228-K232 PolarHBondContact O-N 3.21Å; E229-K232 PolarHBondContact O-N 2.87Å; K232-S234 PolarHBondContact O-N 3.38Å; K232-E235 PolarHBondContact O-N 3.28Å |
| 233 | N | 70.5 | Confident | 66.6 | Low | 119 Ų | 119 | 114.9 Ų | 114.9 | 64% | 0.636 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -74.6 | -7.2 | -178.5 | -63.8 | -22.1 | 0 | 0 | 0 | 113.1 | E229 E235 | E229-N233 VanDerWaalsContact O-CB 3.26Å; E229-N233 WeakPolarHBondContact O-CB 3.23Å; E229-N233 PolarHBondContact O-N 3.16Å; E229-N233 PolarHBondContact O-ND2 2.85Å; N233-E235 PolarHBondContact O-N 3.39Å |
| 234 | S | 58.9 | Low | 64.4 | Low | 94 Ų | 94 | 118.5 Ų | 118.5 | 66% | 0.657 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -6.3 | 169.6 | -167.9 | 0 | 0 | 0 | 0 | 112.8 | K230 I231 K232 V236 | K230-S234 WeakPolarHBondContact O-CB 3.46Å; K230-S234 PolarHBondContact O-N 3.23Å; I231-S234 WeakPolarHBondContact O-CB 3.29Å; I231-S234 PolarHBondContact O-N 3.05Å; K232-S234 PolarHBondContact O-N 3.38Å; S234-V236 VanDerWaalsContact C-N 3.25Å; S234-V236 PolarHBondContact O-N 2.98Å; S234-V236 VanDerWaalsContact O-N 3.08Å |
| 235 | E | 53.2 | Low | 62.5 | Low | 179 Ų | 179 | 119.4 Ų | 119.4 | 84% | 0.836 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -80.3 | 72.7 | 166.4 | -167.2 | 165.5 | -151.8 | 0 | 0 | 110.3 | K232 N233 K237 | K232-E235 PolarHBondContact O-N 3.28Å; N233-E235 PolarHBondContact O-N 3.39Å; E235-K237 PolarHBondContact O-N 3.31Å; E235-K237 VanDerWaalsContact O-N 3.12Å |
| 236 | V | 44.5 | Very low | 61 | Low | 116 Ų | 116 | 120.8 Ų | 120.8 | 70% | 0.703 | 64% | 0.635 | S | S | * | * | trans | -80.2 | 94.5 | -175.1 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | S234 V238 | S234-V236 VanDerWaalsContact C-N 3.25Å; S234-V236 PolarHBondContact O-N 2.98Å; S234-V236 VanDerWaalsContact O-N 3.08Å; V236-V238 HydrophobicContact CG1-CG2 3.99Å | ||
| 237 | K | 40.4 | Very low | 59.9 | Low | 160 Ų | 160 | 124 Ų | 124 | 70% | 0.696 | 65% | 0.652 | S | S | * | * | trans | -99.7 | 115.2 | 157 | -161.3 | -169.3 | -171.3 | -158.1 | 0 | 109.3 | E235 E239 | E235-K237 PolarHBondContact O-N 3.31Å; E235-K237 VanDerWaalsContact O-N 3.12Å; K237-E239 WeakPolarHBondContact CE-OE1 3.33Å; K237-E239 IonicContact NZ-OE1 2.65Å; K237-E239 PolarHBondContact NZ-OE1 2.7Å; K237-E239 PolarHBondContact O-N 2.92Å | ||
| 238 | V | 42.6 | Very low | 59.3 | Low | 114 Ų | 114 | 123.5 Ų | 123.5 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | trans | -82 | 110.8 | 177.6 | 179 | 0 | 0 | 0 | 0 | 109.3 | V236 I240 | V236-V238 HydrophobicContact CG1-CG2 3.99Å; V238-I240 HydrophobicContact CG1-CG1 4.44Å | ||
| 239 | E | 40.1 | Very low | 58.8 | Low | 147 Ų | 147 | 124.8 Ų | 124.8 | 69% | 0.687 | 66% | 0.663 | S | S | * | * | trans | -126.7 | 119 | 165.3 | -71 | -174.1 | 176.9 | 0 | 0 | 109.8 | K237 | K237-E239 WeakPolarHBondContact CE-OE1 3.33Å; K237-E239 IonicContact NZ-OE1 2.65Å; K237-E239 PolarHBondContact NZ-OE1 2.7Å; K237-E239 PolarHBondContact O-N 2.92Å | ||
| 240 | I | 45.1 | Very low | 58.5 | Low | 153 Ų | 153 | 122.7 Ų | 122.7 | 79% | 0.785 | 66% | 0.655 | S | S | * | * | trans | -96.5 | 116.7 | 175.2 | -63.9 | 164.2 | 0 | 0 | 0 | 105.5 | V238 | V238-I240 HydrophobicContact CG1-CG1 4.44Š| ||
| 241 | D | 38 | Very low | 58.5 | Low | 144 Ų | 144 | 121.3 Ų | 121.3 | 77% | 0.77 | 66% | 0.655 | S | S | * | * | trans | -117.1 | 131.6 | 168.8 | -154 | -8.4 | 0 | 0 | 0 | 110.6 | ||||
| 242 | S | 35.9 | Very low | 58.8 | Low | 86 Ų | 86 | 121.2 Ų | 121.2 | 60% | 0.601 | 65% | 0.649 | S | S | * | * | trans | -137.6 | 109.7 | -173.7 | 54.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 243 | Q | 43 | Very low | 59.2 | Low | 169 Ų | 169 | 119 Ų | 119 | 79% | 0.79 | 65% | 0.645 | S | S | * | * | trans | -118.3 | 133.8 | 175.7 | -78.4 | -65.4 | -28.4 | 0 | 0 | 110.6 | S245 | Q243-S245 PolarHBondContact O-N 2.99Š| ||
| 244 | N | 49.4 | Very low | 60 | Low | 161 Ų | 161 | 117.2 Ų | 117.2 | 86% | 0.861 | 64% | 0.635 | S | S | * | * | trans | -84.3 | 101.8 | -162.3 | -65.8 | -70.2 | 0 | 0 | 0 | 111.7 | ||||
| 245 | S | 55 | Low | 61.5 | Low | 81 Ų | 81 | 122.1 Ų | 122.1 | 57% | 0.566 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -115.5 | 136.6 | 157.4 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | Q243 L247 I250 | Q243-S245 PolarHBondContact O-N 2.99Å; S245-L247 WeakPolarHBondContact O-CA 3.22Å; S245-L247 PolarHBondContact O-N 2.86Å; S245-I250 VanDerWaalsContact OG-CD1 3.3Å; S245-I250 WeakPolarHBondContact OG-CD1 3.37Å |
| 246 | N | 62 | Low | 63.3 | Low | 116 Ų | 116 | 118.1 Ų | 118.1 | 62% | 0.62 | 62% | 0.622 | S | S | * | * | trans | -48.7 | 89.9 | -157.6 | -138.5 | -5.4 | 0 | 0 | 0 | 113.5 | A248 D249 I250 | N246-A248 VanDerWaalsContact C-N 3.27Å; N246-A248 PolarHBondContact O-N 3.5Å; N246-D249 PolarHBondContact O-N 3.36Å; N246-I250 PolarHBondContact O-N 2.76Å | ||
| 247 | L | 71.1 | Confident | 65.6 | Low | 125 Ų | 125 | 118.4 Ų | 118.4 | 65% | 0.654 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.3 | -34.2 | -158.9 | -176.3 | 64.6 | 0 | 0 | 0 | 111.7 | S245 V251 | S245-L247 WeakPolarHBondContact O-CA 3.22Å; S245-L247 PolarHBondContact O-N 2.86Å; L247-V251 HydrophobicContact CD1-CG2 3.84Å; L247-V251 HydrophobicContact CG-CG2 4.05Å; L247-V251 WeakPolarHBondContact O-CB 3.46Å; L247-V251 WeakPolarHBondContact O-CG2 3.39Å; L247-V251 PolarHBondContact O-N 3.04Å |
| 248 | A | 76.4 | Confident | 68.1 | Low | 73 Ų | 73 | 118.5 Ų | 118.5 | 60% | 0.603 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.3 | -45.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N246 K252 | N246-A248 VanDerWaalsContact C-N 3.27Å; N246-A248 PolarHBondContact O-N 3.5Å; A248-K252 WeakPolarHBondContact O-CB 3.46Å; A248-K252 PolarHBondContact O-N 3.31Å |
| 249 | D | 77.7 | Confident | 70.5 | Confident | 83 Ų | 83 | 118.3 Ų | 118.3 | 44% | 0.444 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -74.2 | -37.4 | -179.2 | -72.8 | -39.6 | 0 | 0 | 0 | 111.9 | N246 K252 N253 | N246-D249 PolarHBondContact O-N 3.36Å; D249-K252 PolarHBondContact O-N 2.92Å; D249-N253 WeakPolarHBondContact O-CB 3.24Å; D249-N253 PolarHBondContact O-N 3.22Å; D249-N253 PolarHBondContact O-ND2 3.28Å |
| 250 | I | 81.4 | Confident | 73.1 | Confident | 72 Ų | 72 | 118.9 Ų | 118.9 | 37% | 0.369 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.1 | -48.5 | 175.6 | -68.9 | 172.9 | 0 | 0 | 0 | 110.2 | S245 N246 K252 N253 I254 | S245-I250 VanDerWaalsContact OG-CD1 3.3Å; S245-I250 WeakPolarHBondContact OG-CD1 3.37Å; N246-I250 PolarHBondContact O-N 2.76Å; I250-K252 VanDerWaalsContact C-N 3.3Å; I250-K252 PolarHBondContact O-N 3.23Å; I250-N253 PolarHBondContact O-N 2.96Å; I250-I254 HydrophobicContact CG2-CD1 3.61Å; I250-I254 HydrophobicContact CG2-CG1 4.33Å; I250-I254 VanDerWaalsContact O-CB 3.31Å; I250-I254 WeakPolarHBondContact O-CB 3.4Å; I250-I254 WeakPolarHBondContact O-CG1 3.33Å; I250-I254 PolarHBondContact O-N 2.88Å |
| 251 | V | 83.4 | Confident | 75.4 | Confident | 78 Ų | 78 | 116 Ų | 116 | 47% | 0.473 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.4 | -38.4 | 175.6 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | L247 R255 | L247-V251 HydrophobicContact CD1-CG2 3.84Å; L247-V251 HydrophobicContact CG-CG2 4.05Å; L247-V251 WeakPolarHBondContact O-CB 3.46Å; L247-V251 WeakPolarHBondContact O-CG2 3.39Å; L247-V251 PolarHBondContact O-N 3.04Å; V251-R255 VanDerWaalsContact O-CB 3.27Å; V251-R255 WeakPolarHBondContact O-CB 3.31Å; V251-R255 PolarHBondContact O-N 3.27Å |
| 252 | K | 86.9 | Confident | 78 | Confident | 126 Ų | 126 | 111.5 Ų | 111.5 | 55% | 0.548 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65 | -46.1 | 175.4 | -176.6 | 179.7 | 177.3 | -174.3 | 0 | 112.2 | A248 D249 I250 R255 I256 | A248-K252 WeakPolarHBondContact O-CB 3.46Å; A248-K252 PolarHBondContact O-N 3.31Å; D249-K252 PolarHBondContact O-N 2.92Å; I250-K252 VanDerWaalsContact C-N 3.3Å; I250-K252 PolarHBondContact O-N 3.23Å; K252-R255 PolarHBondContact O-N 3.26Å; K252-I256 HydrophobicContact CG-CD1 4.07Å; K252-I256 VanDerWaalsContact O-CG1 3.32Å; K252-I256 WeakPolarHBondContact O-CG1 3.42Å; K252-I256 PolarHBondContact O-N 2.92Å |
| 253 | N | 86.9 | Confident | 80.8 | Confident | 104 Ų | 104 | 111.1 Ų | 111.1 | 56% | 0.556 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.1 | -41.1 | 177.1 | -76.5 | -44.6 | 0 | 0 | 0 | 112.1 | D249 I250 R255 I256 H257 | D249-N253 WeakPolarHBondContact O-CB 3.24Å; D249-N253 PolarHBondContact O-N 3.22Å; D249-N253 PolarHBondContact O-ND2 3.28Å; I250-N253 PolarHBondContact O-N 2.96Å; N253-R255 VanDerWaalsContact C-N 3.33Å; N253-R255 PolarHBondContact O-N 3.18Å; N253-I256 PolarHBondContact O-N 3.47Å; N253-H257 WeakPolarHBondContact O-CB 3.35Å; N253-H257 PolarHBondContact O-N 3.23Å |
| 254 | I | 89.2 | Confident | 83.3 | Confident | 81 Ų | 81 | 108 Ų | 108 | 42% | 0.415 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 172.1 | -73.1 | 171 | 0 | 0 | 0 | 110.4 | I250 H257 Y258 | I250-I254 HydrophobicContact CG2-CD1 3.61Å; I250-I254 HydrophobicContact CG2-CG1 4.33Å; I250-I254 VanDerWaalsContact O-CB 3.31Å; I250-I254 WeakPolarHBondContact O-CB 3.4Å; I250-I254 WeakPolarHBondContact O-CG1 3.33Å; I250-I254 PolarHBondContact O-N 2.88Å; I254-H257 PolarHBondContact O-N 3.36Å; I254-Y258 HydrophobicContact CG2-CD2 3.53Å; I254-Y258 HydrophobicContact CG2-CE2 3.53Å; I254-Y258 VanDerWaalsContact O-CD2 3.29Å; I254-Y258 WeakPolarHBondContact O-CD2 3.5Å; I254-Y258 PolarHBondContact O-N 3.38Å |
| 255 | R | 90.3 | Very high | 85.4 | Confident | 196 Ų | 196 | 104.6 Ų | 104.6 | 74% | 0.74 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.2 | -43.4 | 177.5 | -164.9 | 179.6 | -155.7 | 168.9 | 8.2 | 112.3 | V251 K252 N253 Q259 | V251-R255 VanDerWaalsContact O-CB 3.27Å; V251-R255 WeakPolarHBondContact O-CB 3.31Å; V251-R255 PolarHBondContact O-N 3.27Å; K252-R255 PolarHBondContact O-N 3.26Å; N253-R255 VanDerWaalsContact C-N 3.33Å; N253-R255 PolarHBondContact O-N 3.18Å; R255-Q259 VanDerWaalsContact O-CB 3.31Å; R255-Q259 WeakPolarHBondContact O-CB 3.26Å; R255-Q259 PolarHBondContact O-N 3.17Å |
| 256 | I | 90.9 | Very high | 87.3 | Confident | 96 Ų | 96 | 106.5 Ų | 106.5 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 176.2 | -68.5 | 165.2 | 0 | 0 | 0 | 110.8 | K252 N253 Q259 K260 | K252-I256 HydrophobicContact CG-CD1 4.07Å; K252-I256 VanDerWaalsContact O-CG1 3.32Å; K252-I256 WeakPolarHBondContact O-CG1 3.42Å; K252-I256 PolarHBondContact O-N 2.92Å; N253-I256 PolarHBondContact O-N 3.47Å; I256-Q259 PolarHBondContact O-N 3.28Å; I256-K260 WeakPolarHBondContact O-CB 3.29Å; I256-K260 PolarHBondContact O-N 3Å |
| 257 | H | 91.6 | Very high | 88.9 | Confident | 122 Ų | 122 | 107.3 Ų | 107.3 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.9 | -48.7 | 176.5 | -176.5 | -87.7 | 0 | 0 | 0 | 111.8 | N253 I254 K260 Q261 | N253-H257 WeakPolarHBondContact O-CB 3.35Å; N253-H257 PolarHBondContact O-N 3.23Å; I254-H257 PolarHBondContact O-N 3.36Å; H257-K260 PolarHBondContact O-N 3.35Å; H257-Q261 WeakPolarHBondContact O-CB 3.34Å; H257-Q261 PolarHBondContact O-N 2.86Å |
| 258 | Y | 93.9 | Very high | 90.1 | Very high | 162 Ų | 162 | 105.6 Ų | 105.6 | 64% | 0.635 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65 | -38.2 | 176.1 | -80.9 | -60.1 | 0 | 0 | 0 | 112.7 | I254 Q261 A262 | I254-Y258 HydrophobicContact CG2-CD2 3.53Å; I254-Y258 HydrophobicContact CG2-CE2 3.53Å; I254-Y258 VanDerWaalsContact O-CD2 3.29Å; I254-Y258 WeakPolarHBondContact O-CD2 3.5Å; I254-Y258 PolarHBondContact O-N 3.38Å; Y258-Q261 PolarHBondContact O-N 3.19Å; Y258-A262 VanDerWaalsContact O-CB 3.27Å; Y258-A262 WeakPolarHBondContact O-CB 3.35Å; Y258-A262 PolarHBondContact O-N 3.47Å |
| 259 | Q | 92.9 | Very high | 90.9 | Very high | 110 Ų | 110 | 104.8 Ų | 104.8 | 51% | 0.514 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.4 | -50.8 | 173.3 | -172.3 | 65.9 | 50.5 | 0 | 0 | 110.6 | R255 I256 Q261 A262 D263 | R255-Q259 VanDerWaalsContact O-CB 3.31Å; R255-Q259 WeakPolarHBondContact O-CB 3.26Å; R255-Q259 PolarHBondContact O-N 3.17Å; I256-Q259 PolarHBondContact O-N 3.28Å; Q259-Q261 VanDerWaalsContact C-N 3.3Å; Q259-Q261 PolarHBondContact O-N 3.4Å; Q259-A262 PolarHBondContact O-N 3.41Å; Q259-D263 PolarHBondContact NE2-OD1 2.94Å; Q259-D263 WeakPolarHBondContact O-CB 3.44Å; Q259-D263 PolarHBondContact O-N 2.96Å |
| 260 | K | 94.9 | Very high | 91.7 | Very high | 158 Ų | 158 | 105.5 Ų | 105.5 | 69% | 0.687 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.5 | -38.4 | 178.2 | -173.9 | -179.7 | 179.5 | -176.6 | 0 | 112.5 | I256 H257 K264 | I256-K260 WeakPolarHBondContact O-CB 3.29Å; I256-K260 PolarHBondContact O-N 3Å; H257-K260 PolarHBondContact O-N 3.35Å; K260-K264 WeakPolarHBondContact O-CB 3.5Å; K260-K264 PolarHBondContact O-N 3.39Å |
| 261 | Q | 93.4 | Very high | 92.4 | Very high | 93 Ų | 93 | 107.8 Ų | 107.8 | 44% | 0.435 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.7 | -36.8 | 177.3 | -174.5 | 59.8 | 24 | 0 | 0 | 112 | H257 Y258 Q259 N265 | H257-Q261 WeakPolarHBondContact O-CB 3.34Å; H257-Q261 PolarHBondContact O-N 2.86Å; Y258-Q261 PolarHBondContact O-N 3.19Å; Q259-Q261 VanDerWaalsContact C-N 3.3Å; Q259-Q261 PolarHBondContact O-N 3.4Å; Q261-N265 VanDerWaalsContact O-CB 3.23Å; Q261-N265 WeakPolarHBondContact O-CB 3.34Å; Q261-N265 PolarHBondContact O-N 2.92Å |
| 262 | A | 92.6 | Very high | 93 | Very high | 50 Ų | 50 | 110.4 Ų | 110.4 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.8 | -47.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y258 Q259 K264 N265 M266 | Y258-A262 VanDerWaalsContact O-CB 3.27Å; Y258-A262 WeakPolarHBondContact O-CB 3.35Å; Y258-A262 PolarHBondContact O-N 3.47Å; Q259-A262 PolarHBondContact O-N 3.41Å; A262-K264 VanDerWaalsContact C-N 3.29Å; A262-K264 PolarHBondContact O-N 2.97Å; A262-N265 PolarHBondContact O-N 3.3Å; A262-M266 WeakPolarHBondContact O-CB 3.49Å; A262-M266 PolarHBondContact O-N 3.29Å |
| 263 | D | 93.9 | Very high | 93.5 | Very high | 78 Ų | 78 | 111.3 Ų | 111.3 | 42% | 0.417 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 176.3 | -62 | -18.3 | 0 | 0 | 0 | 111.5 | Q259 K267 | Q259-D263 PolarHBondContact NE2-OD1 2.94Å; Q259-D263 WeakPolarHBondContact O-CB 3.44Å; Q259-D263 PolarHBondContact O-N 2.96Å; D263-K267 WeakPolarHBondContact O-CG 3.43Å; D263-K267 PolarHBondContact O-N 3.11Å |
| 264 | K | 95.4 | Very high | 94 | Very high | 103 Ų | 103 | 111.6 Ų | 111.6 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.8 | -50.7 | 174.9 | -179.8 | -179.5 | 168 | -175.8 | 0 | 111.2 | K260 A262 M266 K267 E268 | K260-K264 WeakPolarHBondContact O-CB 3.5Å; K260-K264 PolarHBondContact O-N 3.39Å; A262-K264 VanDerWaalsContact C-N 3.29Å; A262-K264 PolarHBondContact O-N 2.97Å; K264-M266 VanDerWaalsContact C-N 3.28Å; K264-M266 PolarHBondContact O-N 2.78Å; K264-K267 PolarHBondContact O-N 2.8Å; K264-K267 VanDerWaalsContact O-N 3.14Å; K264-E268 WeakPolarHBondContact CE-OE1 3.48Å; K264-E268 VanDerWaalsContact CE-OE2 3.28Å; K264-E268 WeakPolarHBondContact CE-OE2 3.43Å; K264-E268 HydrophobicContact CG-CG 4.38Å; K264-E268 IonicContact NZ-OE1 2.75Å; K264-E268 PolarHBondContact NZ-OE1 2.89Å; K264-E268 PolarHBondContact O-N 3.22Å |
| 265 | N | 94 | Very high | 94.4 | Very high | 89 Ų | 89 | 114 Ų | 114 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.3 | -37.4 | 179.7 | -170 | 24.1 | 0 | 0 | 0 | 111.6 | Q261 A262 T269 | Q261-N265 VanDerWaalsContact O-CB 3.23Å; Q261-N265 WeakPolarHBondContact O-CB 3.34Å; Q261-N265 PolarHBondContact O-N 2.92Å; A262-N265 PolarHBondContact O-N 3.3Å; N265-T269 WeakPolarHBondContact O-CB 3.16Å; N265-T269 PolarHBondContact O-N 3.24Å; N265-T269 PolarHBondContact O-OG1 2.98Å |
| 266 | M | 94.6 | Very high | 94.7 | Very high | 122 Ų | 122 | 109.6 Ų | 109.6 | 60% | 0.601 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.3 | -48.4 | 173.5 | -164.1 | 79.8 | 76.5 | 0 | 0 | 111.3 | A262 K264 T269 E270 | A262-M266 WeakPolarHBondContact O-CB 3.49Å; A262-M266 PolarHBondContact O-N 3.29Å; K264-M266 VanDerWaalsContact C-N 3.28Å; K264-M266 PolarHBondContact O-N 2.78Å; M266-T269 PolarHBondContact O-N 3.47Å; M266-E270 WeakPolarHBondContact O-CG 3.35Å; M266-E270 PolarHBondContact O-N 3.18Å |
| 267 | K | 95.9 | Very high | 95 | Very high | 132 Ų | 132 | 111.5 Ų | 111.5 | 57% | 0.574 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.9 | -46.6 | 178.6 | -72.2 | 179.5 | -179.7 | -173.9 | 0 | 112.9 | D263 K264 T269 E270 E271 | D263-K267 WeakPolarHBondContact O-CG 3.43Å; D263-K267 PolarHBondContact O-N 3.11Å; K264-K267 PolarHBondContact O-N 2.8Å; K264-K267 VanDerWaalsContact O-N 3.14Å; K267-T269 PolarHBondContact O-N 2.64Å; K267-E270 PolarHBondContact O-N 3.08Å; K267-E271 WeakPolarHBondContact O-CB 3.48Å; K267-E271 WeakPolarHBondContact O-CG 3.39Å; K267-E271 PolarHBondContact O-N 3.43Å |
| 268 | E | 95.4 | Very high | 95.3 | Very high | 90 Ų | 90 | 109.9 Ų | 109.9 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.9 | -37 | 176.5 | -71.8 | 176.9 | 148.8 | 0 | 0 | 110.9 | K264 W272 | K264-E268 WeakPolarHBondContact CE-OE1 3.48Å; K264-E268 VanDerWaalsContact CE-OE2 3.28Å; K264-E268 WeakPolarHBondContact CE-OE2 3.43Å; K264-E268 HydrophobicContact CG-CG 4.38Å; K264-E268 IonicContact NZ-OE1 2.75Å; K264-E268 PolarHBondContact NZ-OE1 2.89Å; K264-E268 PolarHBondContact O-N 3.22Å; E268-W272 VanDerWaalsContact O-CB 3.22Å; E268-W272 WeakPolarHBondContact O-CB 3.18Å; E268-W272 PolarHBondContact O-N 2.93Å |
| 269 | T | 93.6 | Very high | 95.4 | Very high | 56 Ų | 56 | 105.7 Ų | 105.7 | 34% | 0.344 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.6 | -45.4 | 174.3 | -61.1 | 0 | 0 | 0 | 0 | 112 | N265 M266 K267 W272 Y273 | N265-T269 WeakPolarHBondContact O-CB 3.16Å; N265-T269 PolarHBondContact O-N 3.24Å; N265-T269 PolarHBondContact O-OG1 2.98Å; M266-T269 PolarHBondContact O-N 3.47Å; K267-T269 PolarHBondContact O-N 2.64Å; T269-W272 PolarHBondContact O-N 2.93Å; T269-Y273 HydrophobicContact CG2-CD2 3.65Å; T269-Y273 HydrophobicContact CG2-CE2 3.4Å; T269-Y273 WeakPolarHBondContact O-CD2 3.32Å; T269-Y273 PolarHBondContact O-N 3.45Å |
| 270 | E | 95.4 | Very high | 95.6 | Very high | 97 Ų | 97 | 105.4 Ų | 105.4 | 45% | 0.453 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 175.4 | -79.2 | -175 | -150.5 | 0 | 0 | 112.9 | M266 K267 Y273 K274 | M266-E270 WeakPolarHBondContact O-CG 3.35Å; M266-E270 PolarHBondContact O-N 3.18Å; K267-E270 PolarHBondContact O-N 3.08Å; E270-Y273 PolarHBondContact O-N 2.94Å; E270-K274 WeakPolarHBondContact O-CB 3.42Å; E270-K274 WeakPolarHBondContact O-CD 3.36Å; E270-K274 VanDerWaalsContact O-CG 3.27Å; E270-K274 WeakPolarHBondContact O-CG 3.44Å; E270-K274 PolarHBondContact O-N 2.71Å; E270-K274 IonicContact OE2-NZ 2.71Å; E270-K274 PolarHBondContact OE2-NZ 2.76Å |
| 271 | E | 96.3 | Very high | 95.7 | Very high | 121 Ų | 121 | 103.3 Ų | 103.3 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.9 | -42.8 | 177.9 | -73.6 | 170.2 | -168.4 | 0 | 0 | 110.6 | K267 K274 E275 | K267-E271 WeakPolarHBondContact O-CB 3.48Å; K267-E271 WeakPolarHBondContact O-CG 3.39Å; K267-E271 PolarHBondContact O-N 3.43Å; E271-K274 PolarHBondContact O-N 2.8Å; E271-E275 PolarHBondContact O-N 2.97Å |
| 272 | W | 95.9 | Very high | 95.9 | Very high | 132 Ų | 132 | 102.8 Ų | 102.8 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 174 | -175.7 | 85.3 | 0 | 0 | 0 | 112.7 | E268 T269 E275 K276 | E268-W272 VanDerWaalsContact O-CB 3.22Å; E268-W272 WeakPolarHBondContact O-CB 3.18Å; E268-W272 PolarHBondContact O-N 2.93Å; T269-W272 PolarHBondContact O-N 2.93Å; W272-E275 PolarHBondContact O-N 3.46Å; W272-K276 HydrophobicContact CD2-CG 4.13Å; W272-K276 HydrophobicContact CE3-CG 4.3Å; W272-K276 HydrophobicContact CH2-CG 4.32Å; W272-K276 HydrophobicContact CZ2-CD 4.42Å; W272-K276 VanDerWaalsContact CZ2-CE 3.49Å; W272-K276 HydrophobicContact CZ2-CG 4.13Å; W272-K276 HydrophobicContact CZ3-CG 4.4Å; W272-K276 WeakPolarHBondContact O-CB 3.46Å; W272-K276 VanDerWaalsContact O-CG 3.28Å; W272-K276 WeakPolarHBondContact O-CG 3.4Å; W272-K276 PolarHBondContact O-N 3.26Å |
| 273 | Y | 96.4 | Very high | 96 | Very high | 146 Ų | 146 | 106.3 Ų | 106.3 | 57% | 0.573 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65 | -38.2 | 175.5 | -81.4 | -58.8 | 0 | 0 | 0 | 112.5 | T269 E270 K276 F277 | T269-Y273 HydrophobicContact CG2-CD2 3.65Å; T269-Y273 HydrophobicContact CG2-CE2 3.4Å; T269-Y273 WeakPolarHBondContact O-CD2 3.32Å; T269-Y273 PolarHBondContact O-N 3.45Å; E270-Y273 PolarHBondContact O-N 2.94Å; Y273-K276 PolarHBondContact O-N 3.27Å; Y273-F277 WeakPolarHBondContact O-CB 3.33Å; Y273-F277 PolarHBondContact O-N 3.06Å |
| 274 | K | 97.3 | Very high | 96.2 | Very high | 110 Ų | 110 | 108.8 Ų | 108.8 | 48% | 0.478 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -51.1 | 173.8 | -73.9 | 162 | -173.6 | 154.1 | 0 | 111.1 | E270 E271 K276 F277 D278 | E270-K274 WeakPolarHBondContact O-CB 3.42Å; E270-K274 WeakPolarHBondContact O-CD 3.36Å; E270-K274 VanDerWaalsContact O-CG 3.27Å; E270-K274 WeakPolarHBondContact O-CG 3.44Å; E270-K274 PolarHBondContact O-N 2.71Å; E270-K274 IonicContact OE2-NZ 2.71Å; E270-K274 PolarHBondContact OE2-NZ 2.76Å; E271-K274 PolarHBondContact O-N 2.8Å; K274-K276 VanDerWaalsContact C-N 3.29Å; K274-K276 PolarHBondContact O-N 2.87Å; K274-F277 PolarHBondContact O-N 3.42Å; K274-D278 VanDerWaalsContact O-CG 3.3Å; K274-D278 PolarHBondContact O-N 3.27Å |
| 275 | E | 97.3 | Very high | 96.2 | Very high | 132 Ų | 132 | 106.8 Ų | 106.8 | 62% | 0.617 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58 | -40.8 | 177.4 | -168.5 | -166.2 | 172.1 | 0 | 0 | 111.7 | E271 W272 N279 | E271-E275 PolarHBondContact O-N 2.97Å; W272-E275 PolarHBondContact O-N 3.46Å; E275-N279 WeakPolarHBondContact O-CB 3.46Å; E275-N279 PolarHBondContact O-N 2.89Å |
| 276 | K | 97.1 | Very high | 96.4 | Very high | 102 Ų | 102 | 108.1 Ų | 108.1 | 44% | 0.443 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 174.3 | -72.6 | -61.4 | -177.4 | -167.2 | 0 | 112.5 | W272 Y273 K274 N279 I280 | W272-K276 HydrophobicContact CD2-CG 4.13Å; W272-K276 HydrophobicContact CE3-CG 4.3Å; W272-K276 HydrophobicContact CH2-CG 4.32Å; W272-K276 HydrophobicContact CZ2-CD 4.42Å; W272-K276 VanDerWaalsContact CZ2-CE 3.49Å; W272-K276 HydrophobicContact CZ2-CG 4.13Å; W272-K276 HydrophobicContact CZ3-CG 4.4Å; W272-K276 WeakPolarHBondContact O-CB 3.46Å; W272-K276 VanDerWaalsContact O-CG 3.28Å; W272-K276 WeakPolarHBondContact O-CG 3.4Å; W272-K276 PolarHBondContact O-N 3.26Å; Y273-K276 PolarHBondContact O-N 3.27Å; K274-K276 VanDerWaalsContact C-N 3.29Å; K274-K276 PolarHBondContact O-N 2.87Å; K276-N279 PolarHBondContact O-N 3.47Å; K276-I280 WeakPolarHBondContact O-CD1 3.47Å; K276-I280 VanDerWaalsContact O-CG1 3.25Å; K276-I280 WeakPolarHBondContact O-CG1 3.35Å; K276-I280 PolarHBondContact O-N 3.49Å |
| 277 | F | 97.1 | Very high | 96.5 | Very high | 136 Ų | 136 | 107.9 Ų | 107.9 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65 | -47.8 | 178.5 | -167.9 | -91 | 0 | 0 | 0 | 111.3 | Y273 K274 N279 I280 Q281 | Y273-F277 WeakPolarHBondContact O-CB 3.33Å; Y273-F277 PolarHBondContact O-N 3.06Å; K274-F277 PolarHBondContact O-N 3.42Å; F277-N279 VanDerWaalsContact C-N 3.32Å; F277-N279 PolarHBondContact O-N 3.33Å; F277-I280 PolarHBondContact O-N 3.43Å; F277-I280 VanDerWaalsContact O-N 3.16Å; F277-Q281 WeakPolarHBondContact O-CB 3.42Å; F277-Q281 PolarHBondContact O-N 2.75Å |
| 278 | D | 97.1 | Very high | 96.6 | Very high | 89 Ų | 89 | 106.3 Ų | 106.3 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 177.2 | -64.5 | -15.1 | 0 | 0 | 0 | 111.2 | K274 I280 Q281 V282 | K274-D278 VanDerWaalsContact O-CG 3.3Å; K274-D278 PolarHBondContact O-N 3.27Å; D278-I280 PolarHBondContact O-N 3.22Å; D278-Q281 PolarHBondContact O-N 3.06Å; D278-V282 WeakPolarHBondContact O-CG2 3.43Å; D278-V282 PolarHBondContact O-N 3.01Å |
| 279 | N | 96.8 | Very high | 96.7 | Very high | 73 Ų | 73 | 108.9 Ų | 108.9 | 39% | 0.39 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 176.1 | -167.1 | -93.6 | 0 | 0 | 0 | 112.7 | E275 K276 F277 K283 | E275-N279 WeakPolarHBondContact O-CB 3.46Å; E275-N279 PolarHBondContact O-N 2.89Å; K276-N279 PolarHBondContact O-N 3.47Å; F277-N279 VanDerWaalsContact C-N 3.32Å; F277-N279 PolarHBondContact O-N 3.33Å; N279-K283 WeakPolarHBondContact O-CB 3.49Å; N279-K283 WeakPolarHBondContact O-CG 3.3Å; N279-K283 PolarHBondContact O-N 3Å; N279-K283 VanDerWaalsContact O-N 3.13Å; N279-K283 VanDerWaalsContact OD1-CE 3.26Å; N279-K283 WeakPolarHBondContact OD1-CE 3.32Å; N279-K283 PolarHBondContact OD1-NZ 3.23Å |
| 280 | I | 96.7 | Very high | 96.7 | Very high | 105 Ų | 105 | 109 Ų | 109 | 54% | 0.538 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.7 | -46.2 | 174.3 | -70.7 | 164.3 | 0 | 0 | 0 | 109.8 | K276 F277 D278 V282 K283 E284 | K276-I280 WeakPolarHBondContact O-CD1 3.47Å; K276-I280 VanDerWaalsContact O-CG1 3.25Å; K276-I280 WeakPolarHBondContact O-CG1 3.35Å; K276-I280 PolarHBondContact O-N 3.49Å; F277-I280 PolarHBondContact O-N 3.43Å; F277-I280 VanDerWaalsContact O-N 3.16Å; D278-I280 PolarHBondContact O-N 3.22Å; I280-V282 PolarHBondContact O-N 3.32Å; I280-K283 PolarHBondContact O-N 3.05Å; I280-E284 WeakPolarHBondContact O-CB 3.37Å; I280-E284 PolarHBondContact O-N 3.29Å |
| 281 | Q | 97 | Very high | 96.8 | Very high | 114 Ų | 114 | 108.8 Ų | 108.8 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | -179.8 | -168.1 | 176.9 | 25.7 | 0 | 0 | 112.3 | F277 D278 E284 A285 | F277-Q281 WeakPolarHBondContact O-CB 3.42Å; F277-Q281 PolarHBondContact O-N 2.75Å; D278-Q281 PolarHBondContact O-N 3.06Å; Q281-E284 PolarHBondContact O-N 3.5Å; Q281-A285 WeakPolarHBondContact O-CB 3.43Å; Q281-A285 PolarHBondContact O-N 3.39Å |
| 282 | V | 97.3 | Very high | 96.8 | Very high | 82 Ų | 82 | 107.8 Ų | 107.8 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 174.2 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | D278 I280 A285 Q286 | D278-V282 WeakPolarHBondContact O-CG2 3.43Å; D278-V282 PolarHBondContact O-N 3.01Å; I280-V282 PolarHBondContact O-N 3.32Å; V282-A285 PolarHBondContact O-N 2.98Å; V282-Q286 WeakPolarHBondContact O-CG 3.38Å; V282-Q286 PolarHBondContact O-N 2.9Å |
| 283 | K | 96.3 | Very high | 96.8 | Very high | 123 Ų | 123 | 104.3 Ų | 104.3 | 54% | 0.535 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 176.5 | -79.1 | 170.2 | 174.3 | 161.6 | 0 | 112.7 | N279 I280 Q286 N287 | N279-K283 WeakPolarHBondContact O-CB 3.49Å; N279-K283 WeakPolarHBondContact O-CG 3.3Å; N279-K283 PolarHBondContact O-N 3Å; N279-K283 VanDerWaalsContact O-N 3.13Å; N279-K283 VanDerWaalsContact OD1-CE 3.26Å; N279-K283 WeakPolarHBondContact OD1-CE 3.32Å; N279-K283 PolarHBondContact OD1-NZ 3.23Å; I280-K283 PolarHBondContact O-N 3.05Å; K283-Q286 PolarHBondContact O-N 3.07Å; K283-N287 VanDerWaalsContact O-CB 3.27Å; K283-N287 WeakPolarHBondContact O-CB 3.43Å; K283-N287 PolarHBondContact O-N 2.9Å |
| 284 | E | 96.9 | Very high | 96.8 | Very high | 131 Ų | 131 | 99 Ų | 99 | 61% | 0.612 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.5 | -44.3 | 175.7 | -172.9 | 176.3 | -174.5 | 0 | 0 | 110.8 | I280 Q281 N287 N288 | I280-E284 WeakPolarHBondContact O-CB 3.37Å; I280-E284 PolarHBondContact O-N 3.29Å; Q281-E284 PolarHBondContact O-N 3.5Å; E284-N287 PolarHBondContact O-N 2.86Å; E284-N288 WeakPolarHBondContact O-CB 3.43Å; E284-N288 PolarHBondContact O-N 3.28Å |
| 285 | A | 96.8 | Very high | 96.8 | Very high | 60 Ų | 60 | 97.8 Ų | 97.8 | 50% | 0.496 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.7 | -47.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q281 V282 N287 N288 E289 | Q281-A285 WeakPolarHBondContact O-CB 3.43Å; Q281-A285 PolarHBondContact O-N 3.39Å; V282-A285 PolarHBondContact O-N 2.98Å; A285-N287 PolarHBondContact O-N 2.9Å; A285-N288 PolarHBondContact O-N 3.33Å; A285-E289 PolarHBondContact O-N 2.88Å |
| 286 | Q | 96.9 | Very high | 96.7 | Very high | 118 Ų | 118 | 94.1 Ų | 94.1 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.1 | -42.7 | 176.4 | -74.1 | 175.5 | -9 | 0 | 0 | 112.5 | V282 K283 E289 A290 | V282-Q286 WeakPolarHBondContact O-CG 3.38Å; V282-Q286 PolarHBondContact O-N 2.9Å; K283-Q286 PolarHBondContact O-N 3.07Å; Q286-E289 PolarHBondContact O-N 3.05Å; Q286-A290 WeakPolarHBondContact O-CB 3.4Å; Q286-A290 PolarHBondContact O-N 3.41Å |
| 287 | N | 96.9 | Very high | 96.7 | Very high | 116 Ų | 116 | 95 Ų | 95 | 62% | 0.62 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.5 | -38.9 | 177.8 | -170.1 | 18.8 | 0 | 0 | 0 | 111.5 | K283 E284 A285 A290 L291 | K283-N287 VanDerWaalsContact O-CB 3.27Å; K283-N287 WeakPolarHBondContact O-CB 3.43Å; K283-N287 PolarHBondContact O-N 2.9Å; E284-N287 PolarHBondContact O-N 2.86Å; A285-N287 PolarHBondContact O-N 2.9Å; N287-A290 PolarHBondContact O-N 2.87Å; N287-L291 VanDerWaalsContact O-CB 3.25Å; N287-L291 WeakPolarHBondContact O-CB 3.37Å; N287-L291 PolarHBondContact O-N 3.47Å |
| 288 | N | 97.6 | Very high | 96.6 | Very high | 99 Ų | 99 | 95.9 Ų | 95.9 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.6 | -37.6 | 176.7 | -164.5 | 29.3 | 0 | 0 | 0 | 112.1 | E284 A285 L291 E292 | E284-N288 WeakPolarHBondContact O-CB 3.43Å; E284-N288 PolarHBondContact O-N 3.28Å; A285-N288 PolarHBondContact O-N 3.33Å; N288-L291 PolarHBondContact O-N 3.41Å; N288-E292 WeakPolarHBondContact O-CB 3.29Å; N288-E292 PolarHBondContact O-N 3.37Å |
| 289 | E | 97.2 | Very high | 96.6 | Very high | 144 Ų | 144 | 95.4 Ų | 95.4 | 67% | 0.673 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.9 | -44.1 | 172.3 | -175.7 | 176.2 | -164 | 0 | 0 | 111.9 | A285 Q286 L291 E292 S293 | A285-E289 PolarHBondContact O-N 2.88Å; Q286-E289 PolarHBondContact O-N 3.05Å; E289-L291 VanDerWaalsContact C-N 3.32Å; E289-L291 PolarHBondContact O-N 3.28Å; E289-E292 PolarHBondContact O-N 3.39Å; E289-S293 WeakPolarHBondContact O-CB 3.35Å; E289-S293 PolarHBondContact O-N 3.04Å; E289-S293 PolarHBondContact O-OG 2.9Å |
| 290 | A | 94.9 | Very high | 96.6 | Very high | 58 Ų | 58 | 98 Ų | 98 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q286 N287 S293 G294 | Q286-A290 WeakPolarHBondContact O-CB 3.4Å; Q286-A290 PolarHBondContact O-N 3.41Å; N287-A290 PolarHBondContact O-N 2.87Å; A290-S293 WeakPolarHBondContact CA-OG 3.34Å; A290-S293 PolarHBondContact O-OG 3.23Å; A290-G294 PolarHBondContact O-N 3.46Å |
| 291 | L | 96.8 | Very high | 96.5 | Very high | 93 Ų | 93 | 98.1 Ų | 98.1 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 175.9 | -180 | 63.3 | 0 | 0 | 0 | 112 | N287 N288 E289 G294 K295 | N287-L291 VanDerWaalsContact O-CB 3.25Å; N287-L291 WeakPolarHBondContact O-CB 3.37Å; N287-L291 PolarHBondContact O-N 3.47Å; N288-L291 PolarHBondContact O-N 3.41Å; E289-L291 VanDerWaalsContact C-N 3.32Å; E289-L291 PolarHBondContact O-N 3.28Å; L291-G294 PolarHBondContact O-N 2.85Å; L291-K295 WeakPolarHBondContact O-CG 3.29Å; L291-K295 PolarHBondContact O-N 3.38Å |
| 292 | E | 97.3 | Very high | 96.4 | Very high | 101 Ų | 101 | 95.3 Ų | 95.3 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74.8 | -35.7 | -177.5 | -160.9 | 57.3 | -142 | 0 | 0 | 112.7 | N288 E289 K295 S296 | N288-E292 WeakPolarHBondContact O-CB 3.29Å; N288-E292 PolarHBondContact O-N 3.37Å; E289-E292 PolarHBondContact O-N 3.39Å; E292-K295 PolarHBondContact O-N 3.01Å; E292-K295 WeakPolarHBondContact OE2-CD 3.21Å; E292-K295 IonicContact OE2-NZ 3.47Å; E292-K295 PolarHBondContact OE2-NZ 2.91Å; E292-S296 WeakPolarHBondContact O-CB 3.36Å; E292-S296 PolarHBondContact O-N 3.37Å |
| 293 | S | 95.9 | Very high | 96.3 | Very high | 58 Ų | 58 | 98.7 Ų | 98.7 | 41% | 0.406 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 169.4 | 50.8 | 0 | 0 | 0 | 0 | 111.5 | E289 A290 K295 S296 E297 | E289-S293 WeakPolarHBondContact O-CB 3.35Å; E289-S293 PolarHBondContact O-N 3.04Å; E289-S293 PolarHBondContact O-OG 2.9Å; A290-S293 WeakPolarHBondContact CA-OG 3.34Å; A290-S293 PolarHBondContact O-OG 3.23Å; S293-K295 PolarHBondContact O-N 3.28Å; S293-S296 WeakPolarHBondContact O-CA 3.48Å; S293-S296 WeakPolarHBondContact O-CB 3.46Å; S293-S296 PolarHBondContact O-N 3.11Å; S293-E297 PolarHBondContact O-N 3.4Å |
| 294 | G | 95.8 | Very high | 96.3 | Very high | 35 Ų | 35 | 98.2 Ų | 98.2 | 36% | 0.361 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A290 L291 S296 E297 Y298 | A290-G294 PolarHBondContact O-N 3.46Å; L291-G294 PolarHBondContact O-N 2.85Å; G294-S296 VanDerWaalsContact C-N 3.34Å; G294-S296 PolarHBondContact O-N 3.1Å; G294-E297 PolarHBondContact O-N 2.86Å; G294-Y298 WeakPolarHBondContact O-CB 3.08Å; G294-Y298 PolarHBondContact O-N 3.45Å |
| 295 | K | 97 | Very high | 96.1 | Very high | 85 Ų | 85 | 98.6 Ų | 98.6 | 37% | 0.37 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 171.5 | -73.7 | 177.2 | -154.6 | 148.6 | 0 | 112.1 | L291 E292 S293 N299 | L291-K295 WeakPolarHBondContact O-CG 3.29Å; L291-K295 PolarHBondContact O-N 3.38Å; E292-K295 PolarHBondContact O-N 3.01Å; E292-K295 WeakPolarHBondContact OE2-CD 3.21Å; E292-K295 IonicContact OE2-NZ 3.47Å; E292-K295 PolarHBondContact OE2-NZ 2.91Å; S293-K295 PolarHBondContact O-N 3.28Å; K295-N299 WeakPolarHBondContact O-CB 3.35Å; K295-N299 PolarHBondContact O-N 2.94Å; K295-N299 PolarHBondContact O-ND2 3.29Å |
| 296 | S | 95.8 | Very high | 95.9 | Very high | 55 Ų | 55 | 101.5 Ų | 101.5 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 178.8 | -172.2 | 0 | 0 | 0 | 0 | 111.2 | E292 S293 G294 N299 K300 | E292-S296 WeakPolarHBondContact O-CB 3.36Å; E292-S296 PolarHBondContact O-N 3.37Å; S293-S296 WeakPolarHBondContact O-CA 3.48Å; S293-S296 WeakPolarHBondContact O-CB 3.46Å; S293-S296 PolarHBondContact O-N 3.11Å; G294-S296 VanDerWaalsContact C-N 3.34Å; G294-S296 PolarHBondContact O-N 3.1Å; S296-N299 PolarHBondContact O-N 2.93Å; S296-K300 WeakPolarHBondContact O-CG 3.47Å; S296-K300 PolarHBondContact O-N 3.43Å |
| 297 | E | 96.3 | Very high | 95.7 | Very high | 120 Ų | 120 | 98.4 Ų | 98.4 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.2 | -47.3 | 175 | -69.8 | -174.6 | 173.5 | 0 | 0 | 112.6 | S293 G294 N299 K300 L301 | S293-E297 PolarHBondContact O-N 3.4Å; G294-E297 PolarHBondContact O-N 2.86Å; E297-N299 VanDerWaalsContact C-N 3.27Å; E297-N299 PolarHBondContact O-N 3.33Å; E297-K300 WeakPolarHBondContact O-CB 3.12Å; E297-K300 PolarHBondContact O-N 3.44Å; E297-L301 WeakPolarHBondContact O-CG 3.37Å; E297-L301 PolarHBondContact O-N 3.5Å |
| 298 | Y | 95.6 | Very high | 95.3 | Very high | 154 Ų | 154 | 97 Ų | 97 | 60% | 0.604 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -54.9 | -43.1 | 173.6 | 176.2 | -100.7 | 0 | 0 | 0 | 112 | G294 L301 L302 | G294-Y298 WeakPolarHBondContact O-CB 3.08Å; G294-Y298 PolarHBondContact O-N 3.45Å; Y298-L301 PolarHBondContact O-N 3.21Å; Y298-L302 HydrophobicContact CE1-CD2 4.34Å; Y298-L302 VanDerWaalsContact O-CB 3.29Å; Y298-L302 WeakPolarHBondContact O-CB 3.41Å; Y298-L302 PolarHBondContact O-N 2.87Å |
| 299 | N | 97.1 | Very high | 95 | Very high | 79 Ų | 79 | 97.9 Ų | 97.9 | 42% | 0.422 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.5 | -31.9 | 176.4 | -81.9 | -64.2 | 0 | 0 | 0 | 113.6 | K295 S296 E297 K303 | K295-N299 WeakPolarHBondContact O-CB 3.35Å; K295-N299 PolarHBondContact O-N 2.94Å; K295-N299 PolarHBondContact O-ND2 3.29Å; S296-N299 PolarHBondContact O-N 2.93Å; E297-N299 VanDerWaalsContact C-N 3.27Å; E297-N299 PolarHBondContact O-N 3.33Å; N299-K303 VanDerWaalsContact O-CG 3.28Å; N299-K303 WeakPolarHBondContact O-CG 3.49Å; N299-K303 PolarHBondContact O-N 2.87Å; N299-K303 VanDerWaalsContact O-N 3.15Å |
| 300 | K | 96.3 | Very high | 94.8 | Very high | 127 Ų | 127 | 97.1 Ų | 97.1 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66 | -51.7 | 172.2 | -70.4 | 166.2 | -170.2 | 169.7 | 0 | 110.4 | S296 E297 L302 K303 E304 | S296-K300 WeakPolarHBondContact O-CG 3.47Å; S296-K300 PolarHBondContact O-N 3.43Å; E297-K300 WeakPolarHBondContact O-CB 3.12Å; E297-K300 PolarHBondContact O-N 3.44Å; K300-L302 VanDerWaalsContact C-N 3.29Å; K300-L302 PolarHBondContact O-N 2.99Å; K300-K303 WeakPolarHBondContact O-CB 3.26Å; K300-K303 PolarHBondContact O-N 3.39Å; K300-E304 PolarHBondContact O-N 2.84Å |
| 301 | L | 94.2 | Very high | 94.7 | Very high | 108 Ų | 108 | 99.5 Ų | 99.5 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.8 | -38.3 | 177.9 | -67.2 | 172.7 | 0 | 0 | 0 | 112 | E297 Y298 K303 E304 K305 | E297-L301 WeakPolarHBondContact O-CG 3.37Å; E297-L301 PolarHBondContact O-N 3.5Å; Y298-L301 PolarHBondContact O-N 3.21Å; L301-K303 PolarHBondContact O-N 2.87Å; L301-E304 PolarHBondContact O-N 2.78Å; L301-K305 WeakPolarHBondContact O-CB 3.42Å; L301-K305 PolarHBondContact O-N 3.39Å |
| 302 | L | 96.5 | Very high | 94.4 | Very high | 55 Ų | 55 | 100.2 Ų | 100.2 | 29% | 0.288 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.5 | -35.1 | 175.7 | -175.3 | 63.4 | 0 | 0 | 0 | 112.7 | Y298 K300 K306 | Y298-L302 HydrophobicContact CE1-CD2 4.34Å; Y298-L302 VanDerWaalsContact O-CB 3.29Å; Y298-L302 WeakPolarHBondContact O-CB 3.41Å; Y298-L302 PolarHBondContact O-N 2.87Å; K300-L302 VanDerWaalsContact C-N 3.29Å; K300-L302 PolarHBondContact O-N 2.99Å; L302-K306 WeakPolarHBondContact O-CG 3.34Å; L302-K306 PolarHBondContact O-N 3.33Å |
| 303 | K | 95.1 | Very high | 94.3 | Very high | 154 Ų | 154 | 101.9 Ų | 101.9 | 67% | 0.67 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -70.1 | -43 | 173.2 | -73.7 | 169.3 | -178 | 178.6 | 0 | 111.4 | N299 K300 L301 K306 S307 | N299-K303 VanDerWaalsContact O-CG 3.28Å; N299-K303 WeakPolarHBondContact O-CG 3.49Å; N299-K303 PolarHBondContact O-N 2.87Å; N299-K303 VanDerWaalsContact O-N 3.15Å; K300-K303 WeakPolarHBondContact O-CB 3.26Å; K300-K303 PolarHBondContact O-N 3.39Å; L301-K303 PolarHBondContact O-N 2.87Å; K303-K306 PolarHBondContact O-N 2.88Å; K303-S307 PolarHBondContact O-N 2.9Å |
| 304 | E | 95.2 | Very high | 94.1 | Very high | 112 Ų | 112 | 101.5 Ų | 101.5 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.6 | -49.2 | 176.5 | -174.5 | 177.8 | 178.9 | 0 | 0 | 111.5 | K300 L301 K306 S307 L308 | K300-E304 PolarHBondContact O-N 2.84Å; L301-E304 PolarHBondContact O-N 2.78Å; E304-K306 VanDerWaalsContact C-N 3.29Å; E304-K306 PolarHBondContact O-N 3.47Å; E304-S307 WeakPolarHBondContact O-CA 3.38Å; E304-S307 WeakPolarHBondContact O-CB 3.41Å; E304-S307 PolarHBondContact O-N 3.25Å; E304-L308 HydrophobicContact CG-CD1 4.2Å; E304-L308 PolarHBondContact O-N 3.32Å |
| 305 | K | 92.7 | Very high | 93.7 | Very high | 139 Ų | 139 | 103 Ų | 103 | 60% | 0.604 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -52.6 | -44.7 | 173.7 | 178.9 | 177.5 | 178.2 | 175.7 | 0 | 112.3 | L301 Q309 | L301-K305 WeakPolarHBondContact O-CB 3.42Å; L301-K305 PolarHBondContact O-N 3.39Å; K305-Q309 WeakPolarHBondContact O-CB 3.5Å; K305-Q309 PolarHBondContact O-N 2.91Å |
| 306 | K | 93.5 | Very high | 93.4 | Very high | 121 Ų | 121 | 104.1 Ų | 104.1 | 53% | 0.526 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 177.3 | -74.1 | 174.9 | -179.7 | -177.4 | 0 | 112.1 | L302 K303 E304 Q309 M310 | L302-K306 WeakPolarHBondContact O-CG 3.34Å; L302-K306 PolarHBondContact O-N 3.33Å; K303-K306 PolarHBondContact O-N 2.88Å; E304-K306 VanDerWaalsContact C-N 3.29Å; E304-K306 PolarHBondContact O-N 3.47Å; K306-Q309 PolarHBondContact O-N 3.47Å; K306-M310 WeakPolarHBondContact O-CG 3.39Å; K306-M310 PolarHBondContact O-N 3.44Å |
| 307 | S | 92.9 | Very high | 93.3 | Very high | 54 Ų | 54 | 105 Ų | 105 | 38% | 0.378 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -47 | 175.4 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | K303 E304 Q309 M310 Q311 | K303-S307 PolarHBondContact O-N 2.9Å; E304-S307 WeakPolarHBondContact O-CA 3.38Å; E304-S307 WeakPolarHBondContact O-CB 3.41Å; E304-S307 PolarHBondContact O-N 3.25Å; S307-Q309 PolarHBondContact O-N 2.98Å; S307-M310 WeakPolarHBondContact O-CB 3.24Å; S307-M310 PolarHBondContact O-N 3.27Å; S307-Q311 WeakPolarHBondContact O-CG 3.38Å; S307-Q311 PolarHBondContact O-N 3.25Å; S307-Q311 PolarHBondContact OG-NE2 3.32Å |
| 308 | L | 88.8 | Confident | 93.1 | Very high | 85 Ų | 85 | 103.1 Ų | 103.1 | 45% | 0.445 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 175.7 | -69 | 171.5 | 0 | 0 | 0 | 111.8 | E304 M310 Q311 I312 | E304-L308 HydrophobicContact CG-CD1 4.2Å; E304-L308 PolarHBondContact O-N 3.32Å; L308-M310 PolarHBondContact O-N 2.94Å; L308-Q311 PolarHBondContact O-N 2.99Å; L308-I312 WeakPolarHBondContact O-CG1 3.44Å; L308-I312 PolarHBondContact O-N 3.46Å |
| 309 | Q | 90.4 | Very high | 93 | Very high | 118 Ų | 118 | 99.9 Ų | 99.9 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62 | -40.9 | 175.1 | -175.3 | 175.6 | -7.2 | 0 | 0 | 112.3 | K305 K306 S307 I312 Q313 | K305-Q309 WeakPolarHBondContact O-CB 3.5Å; K305-Q309 PolarHBondContact O-N 2.91Å; K306-Q309 PolarHBondContact O-N 3.47Å; S307-Q309 PolarHBondContact O-N 2.98Å; Q309-I312 PolarHBondContact O-N 3.44Å; Q309-Q313 WeakPolarHBondContact O-CB 3.17Å; Q309-Q313 PolarHBondContact O-N 2.93Å |
| 310 | M | 92.4 | Very high | 92.8 | Very high | 129 Ų | 129 | 102 Ų | 102 | 64% | 0.635 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.8 | -41.6 | 173 | -77.4 | 168.2 | 43.9 | 0 | 0 | 112.3 | K306 S307 L308 Q313 A314 | K306-M310 WeakPolarHBondContact O-CG 3.39Å; K306-M310 PolarHBondContact O-N 3.44Å; S307-M310 WeakPolarHBondContact O-CB 3.24Å; S307-M310 PolarHBondContact O-N 3.27Å; L308-M310 PolarHBondContact O-N 2.94Å; M310-Q313 PolarHBondContact O-N 3.4Å; M310-A314 WeakPolarHBondContact O-CB 3.33Å; M310-A314 PolarHBondContact O-N 3.24Å |
| 311 | Q | 93.8 | Very high | 92.8 | Very high | 107 Ų | 107 | 98.8 Ų | 98.8 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 176.9 | -70.9 | 171.8 | 49 | 0 | 0 | 111.4 | S307 L308 Q313 A314 S315 | S307-Q311 WeakPolarHBondContact O-CG 3.38Å; S307-Q311 PolarHBondContact O-N 3.25Å; S307-Q311 PolarHBondContact OG-NE2 3.32Å; L308-Q311 PolarHBondContact O-N 2.99Å; Q311-Q313 PolarHBondContact O-N 2.86Å; Q311-A314 PolarHBondContact O-N 2.92Å; Q311-S315 PolarHBondContact O-N 3.17Å; Q311-S315 PolarHBondContact O-OG 3.26Å; Q311-S315 VanDerWaalsContact O-OG 3.08Å |
| 312 | I | 91 | Very high | 92.8 | Very high | 109 Ų | 109 | 99.2 Ų | 99.2 | 56% | 0.559 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.4 | -46.8 | 174.2 | -68.5 | 164.9 | 0 | 0 | 0 | 110.8 | L308 Q309 A314 S315 L316 | L308-I312 WeakPolarHBondContact O-CG1 3.44Å; L308-I312 PolarHBondContact O-N 3.46Å; Q309-I312 PolarHBondContact O-N 3.44Å; I312-A314 VanDerWaalsContact C-N 3.33Å; I312-A314 PolarHBondContact O-N 3.33Å; I312-S315 PolarHBondContact O-N 3.4Å; I312-L316 HydrophobicContact CG2-CD1 4.03Å; I312-L316 HydrophobicContact CG2-CG 4.49Å; I312-L316 WeakPolarHBondContact O-CG 3.29Å; I312-L316 PolarHBondContact O-N 2.99Å |
| 313 | Q | 93.7 | Very high | 92.7 | Very high | 136 Ų | 136 | 101.6 Ų | 101.6 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.9 | -38.2 | 178.6 | -174.3 | 178.3 | -10.8 | 0 | 0 | 112.4 | Q309 M310 Q311 S317 | Q309-Q313 WeakPolarHBondContact O-CB 3.17Å; Q309-Q313 PolarHBondContact O-N 2.93Å; M310-Q313 PolarHBondContact O-N 3.4Å; Q311-Q313 PolarHBondContact O-N 2.86Å; Q313-S317 PolarHBondContact O-N 2.88Å |
| 314 | A | 91.4 | Very high | 92.7 | Very high | 50 Ų | 50 | 98.6 Ų | 98.6 | 41% | 0.413 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.9 | -43.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M310 Q311 I312 L316 S317 T318 | M310-A314 WeakPolarHBondContact O-CB 3.33Å; M310-A314 PolarHBondContact O-N 3.24Å; Q311-A314 PolarHBondContact O-N 2.92Å; I312-A314 VanDerWaalsContact C-N 3.33Å; I312-A314 PolarHBondContact O-N 3.33Å; A314-L316 PolarHBondContact O-N 3.48Å; A314-S317 PolarHBondContact O-N 2.95Å; A314-S317 PolarHBondContact O-OG 2.93Å; A314-T318 WeakPolarHBondContact O-CG2 3.3Å; A314-T318 PolarHBondContact O-N 3.47Å; A314-T318 PolarHBondContact O-OG1 2.87Å |
| 315 | S | 88.5 | Confident | 92.7 | Very high | 65 Ų | 65 | 97.5 Ų | 97.5 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 175.7 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | Q311 I312 S317 T318 I319 | Q311-S315 PolarHBondContact O-N 3.17Å; Q311-S315 PolarHBondContact O-OG 3.26Å; Q311-S315 VanDerWaalsContact O-OG 3.08Å; I312-S315 PolarHBondContact O-N 3.4Å; S315-S317 VanDerWaalsContact C-N 3.35Å; S315-S317 PolarHBondContact O-N 3.22Å; S315-T318 WeakPolarHBondContact CA-OG1 3.38Å; S315-T318 PolarHBondContact O-N 2.85Å; S315-T318 PolarHBondContact O-OG1 3.24Å; S315-I319 WeakPolarHBondContact O-CG1 3.36Å; S315-I319 PolarHBondContact O-N 3.39Å |
| 316 | L | 90.4 | Very high | 92.9 | Very high | 110 Ų | 110 | 96.2 Ų | 96.2 | 58% | 0.576 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.1 | -38.8 | 175 | -70.9 | 171.5 | 0 | 0 | 0 | 112.5 | I312 A314 I319 K320 | I312-L316 HydrophobicContact CG2-CD1 4.03Å; I312-L316 HydrophobicContact CG2-CG 4.49Å; I312-L316 WeakPolarHBondContact O-CG 3.29Å; I312-L316 PolarHBondContact O-N 2.99Å; A314-L316 PolarHBondContact O-N 3.48Å; L316-I319 PolarHBondContact O-N 3.39Å; L316-K320 PolarHBondContact O-N 3.18Å; L316-K320 VanDerWaalsContact O-N 3.07Å |
| 317 | S | 93.3 | Very high | 93 | Very high | 74 Ų | 74 | 95 Ų | 95 | 52% | 0.517 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.4 | -34.9 | 176.5 | 73.6 | 0 | 0 | 0 | 0 | 112.5 | Q313 A314 S315 A321 | Q313-S317 PolarHBondContact O-N 2.88Å; A314-S317 PolarHBondContact O-N 2.95Å; A314-S317 PolarHBondContact O-OG 2.93Å; S315-S317 VanDerWaalsContact C-N 3.35Å; S315-S317 PolarHBondContact O-N 3.22Å; S317-A321 WeakPolarHBondContact O-CB 3.15Å; S317-A321 PolarHBondContact O-N 3.25Å |
| 318 | T | 93 | Very high | 93.2 | Very high | 80 Ų | 80 | 98.5 Ų | 98.5 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.9 | -41 | 173.4 | 57.1 | 0 | 0 | 0 | 0 | 113 | A314 S315 A321 L322 | A314-T318 WeakPolarHBondContact O-CG2 3.3Å; A314-T318 PolarHBondContact O-N 3.47Å; A314-T318 PolarHBondContact O-OG1 2.87Å; S315-T318 WeakPolarHBondContact CA-OG1 3.38Å; S315-T318 PolarHBondContact O-N 2.85Å; S315-T318 PolarHBondContact O-OG1 3.24Å; T318-A321 PolarHBondContact O-N 3.25Å; T318-L322 WeakPolarHBondContact O-CG 3.36Å; T318-L322 PolarHBondContact O-N 3.47Å |
| 319 | I | 93.3 | Very high | 93.6 | Very high | 85 Ų | 85 | 98 Ų | 98 | 44% | 0.436 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.9 | -51.2 | 175.2 | -70.9 | 164.2 | 0 | 0 | 0 | 109.5 | S315 L316 A321 L322 E323 | S315-I319 WeakPolarHBondContact O-CG1 3.36Å; S315-I319 PolarHBondContact O-N 3.39Å; L316-I319 PolarHBondContact O-N 3.39Å; I319-A321 VanDerWaalsContact C-N 3.33Å; I319-A321 PolarHBondContact O-N 3.34Å; I319-L322 WeakPolarHBondContact O-CB 3.38Å; I319-L322 PolarHBondContact O-N 3.02Å; I319-E323 HydrophobicContact CG2-CG 4.34Å; I319-E323 WeakPolarHBondContact O-CG 3.34Å; I319-E323 PolarHBondContact O-N 3.42Å |
| 320 | K | 93.1 | Very high | 93.8 | Very high | 125 Ų | 125 | 97.6 Ų | 97.6 | 54% | 0.543 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.2 | -43 | 178.5 | -175 | 175.5 | 179.2 | 179 | 0 | 112.6 | L316 L322 E323 D324 | L316-K320 PolarHBondContact O-N 3.18Å; L316-K320 VanDerWaalsContact O-N 3.07Å; K320-L322 VanDerWaalsContact C-N 3.28Å; K320-L322 PolarHBondContact O-N 2.93Å; K320-E323 PolarHBondContact O-N 3.17Å; K320-D324 WeakPolarHBondContact O-CB 3.5Å; K320-D324 PolarHBondContact O-N 3.45Å |
| 321 | A | 94.7 | Very high | 94 | Very high | 59 Ų | 59 | 94.2 Ų | 94.2 | 49% | 0.488 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.1 | -32.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S317 T318 I319 N325 | S317-A321 WeakPolarHBondContact O-CB 3.15Å; S317-A321 PolarHBondContact O-N 3.25Å; T318-A321 PolarHBondContact O-N 3.25Å; I319-A321 VanDerWaalsContact C-N 3.33Å; I319-A321 PolarHBondContact O-N 3.34Å; A321-N325 WeakPolarHBondContact O-CB 3.46Å; A321-N325 PolarHBondContact O-N 3.34Å; A321-N325 VanDerWaalsContact O-N 3.11Å |
| 322 | L | 94.8 | Very high | 94.2 | Very high | 116 Ų | 116 | 93.3 Ų | 93.3 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -73.6 | -39.7 | 174.2 | -69.5 | 171.4 | 0 | 0 | 0 | 112 | T318 I319 K320 N325 L326 | T318-L322 WeakPolarHBondContact O-CG 3.36Å; T318-L322 PolarHBondContact O-N 3.47Å; I319-L322 WeakPolarHBondContact O-CB 3.38Å; I319-L322 PolarHBondContact O-N 3.02Å; K320-L322 VanDerWaalsContact C-N 3.28Å; K320-L322 PolarHBondContact O-N 2.93Å; L322-N325 PolarHBondContact O-N 3.16Å; L322-L326 WeakPolarHBondContact O-CB 3.39Å; L322-L326 PolarHBondContact O-N 3.19Å |
| 323 | E | 94.7 | Very high | 94.4 | Very high | 106 Ų | 106 | 92 Ų | 92 | 50% | 0.495 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 173.5 | -69.6 | 171.9 | 161.4 | 0 | 0 | 111.4 | I319 K320 N325 L326 N327 | I319-E323 HydrophobicContact CG2-CG 4.34Å; I319-E323 WeakPolarHBondContact O-CG 3.34Å; I319-E323 PolarHBondContact O-N 3.42Å; K320-E323 PolarHBondContact O-N 3.17Å; E323-N325 VanDerWaalsContact C-N 3.29Å; E323-N325 PolarHBondContact O-N 3.34Å; E323-L326 PolarHBondContact O-N 3.09Å; E323-N327 WeakPolarHBondContact O-CB 3.36Å; E323-N327 VanDerWaalsContact O-CG 3.3Å; E323-N327 PolarHBondContact O-N 3.46Å; E323-N327 PolarHBondContact O-ND2 3.4Å; E323-N327 VanDerWaalsContact O-ND2 3.1Å |
| 324 | D | 94.9 | Very high | 94.6 | Very high | 91 Ų | 91 | 89.4 Ų | 89.4 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 175.8 | -74 | -26.8 | 0 | 0 | 0 | 111.3 | K320 K328 | K320-D324 WeakPolarHBondContact O-CB 3.5Å; K320-D324 PolarHBondContact O-N 3.45Å; D324-K328 WeakPolarHBondContact O-CB 3.08Å; D324-K328 PolarHBondContact O-N 3.49Å |
| 325 | N | 96.4 | Very high | 94.9 | Very high | 89 Ų | 89 | 96 Ų | 96 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.2 | -41.3 | 175.4 | -172 | 40.4 | 0 | 0 | 0 | 112.7 | A321 L322 E323 K328 V329 | A321-N325 WeakPolarHBondContact O-CB 3.46Å; A321-N325 PolarHBondContact O-N 3.34Å; A321-N325 VanDerWaalsContact O-N 3.11Å; L322-N325 PolarHBondContact O-N 3.16Å; E323-N325 VanDerWaalsContact C-N 3.29Å; E323-N325 PolarHBondContact O-N 3.34Å; N325-K328 PolarHBondContact O-N 2.9Å; N325-V329 WeakPolarHBondContact O-CG2 3.23Å; N325-V329 PolarHBondContact O-N 3.02Å |
| 326 | L | 96.7 | Very high | 95.2 | Very high | 112 Ų | 112 | 101.5 Ų | 101.5 | 59% | 0.586 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.7 | -47.9 | 175.6 | 179.7 | 65.9 | 0 | 0 | 0 | 110.8 | L322 E323 K328 V329 Q330 | L322-L326 WeakPolarHBondContact O-CB 3.39Å; L322-L326 PolarHBondContact O-N 3.19Å; E323-L326 PolarHBondContact O-N 3.09Å; L326-K328 VanDerWaalsContact C-N 3.31Å; L326-K328 PolarHBondContact O-N 2.93Å; L326-V329 PolarHBondContact O-N 3.45Å; L326-Q330 WeakPolarHBondContact O-CB 3.43Å; L326-Q330 PolarHBondContact O-N 2.97Å |
| 327 | N | 94.8 | Very high | 95.5 | Very high | 96 Ų | 96 | 100.9 Ų | 100.9 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.4 | -42.6 | 175.7 | -73.6 | -37.1 | 0 | 0 | 0 | 111.6 | E323 Q330 A331 | E323-N327 WeakPolarHBondContact O-CB 3.36Å; E323-N327 VanDerWaalsContact O-CG 3.3Å; E323-N327 PolarHBondContact O-N 3.46Å; E323-N327 PolarHBondContact O-ND2 3.4Å; E323-N327 VanDerWaalsContact O-ND2 3.1Å; N327-Q330 PolarHBondContact O-N 3.46Å; N327-A331 WeakPolarHBondContact O-CB 3.46Å; N327-A331 PolarHBondContact O-N 2.91Å |
| 328 | K | 97.3 | Very high | 95.7 | Very high | 126 Ų | 126 | 101.1 Ų | 101.1 | 55% | 0.548 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -48.7 | 175.8 | -173.3 | -174.8 | 177 | -162.7 | 0 | 112.1 | D324 N325 L326 Q330 A331 E332 | D324-K328 WeakPolarHBondContact O-CB 3.08Å; D324-K328 PolarHBondContact O-N 3.49Å; N325-K328 PolarHBondContact O-N 2.9Å; L326-K328 VanDerWaalsContact C-N 3.31Å; L326-K328 PolarHBondContact O-N 2.93Å; K328-Q330 VanDerWaalsContact C-N 3.33Å; K328-Q330 PolarHBondContact O-N 3.37Å; K328-A331 PolarHBondContact O-N 3.1Å; K328-E332 WeakPolarHBondContact CE-OE1 3.48Å; K328-E332 IonicContact NZ-OE1 2.61Å; K328-E332 WeakPolarHBondContact O-CG 3.5Å; K328-E332 PolarHBondContact O-N 3.04Å |
| 329 | V | 96.2 | Very high | 95.9 | Very high | 76 Ų | 76 | 100.5 Ų | 100.5 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 178.5 | 171 | 0 | 0 | 0 | 0 | 111.2 | N325 L326 E332 N333 | N325-V329 WeakPolarHBondContact O-CG2 3.23Å; N325-V329 PolarHBondContact O-N 3.02Å; L326-V329 PolarHBondContact O-N 3.45Å; V329-E332 PolarHBondContact O-N 3.42Å; V329-N333 VanDerWaalsContact O-CB 3.26Å; V329-N333 WeakPolarHBondContact O-CB 3.47Å; V329-N333 PolarHBondContact O-N 2.95Å |
| 330 | Q | 96.4 | Very high | 96.1 | Very high | 108 Ų | 108 | 100.2 Ų | 100.2 | 51% | 0.505 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 175.3 | -176 | 175.2 | -14.7 | 0 | 0 | 111.8 | L326 N327 K328 N333 N334 | L326-Q330 WeakPolarHBondContact O-CB 3.43Å; L326-Q330 PolarHBondContact O-N 2.97Å; N327-Q330 PolarHBondContact O-N 3.46Å; K328-Q330 VanDerWaalsContact C-N 3.33Å; K328-Q330 PolarHBondContact O-N 3.37Å; Q330-N333 PolarHBondContact O-N 3.33Å; Q330-N334 WeakPolarHBondContact O-CB 3.4Å; Q330-N334 VanDerWaalsContact O-CG 3.25Å; Q330-N334 PolarHBondContact O-N 3.49Å |
| 331 | A | 95.9 | Very high | 96.3 | Very high | 58 Ų | 58 | 98.6 Ų | 98.6 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N327 K328 N333 N334 Y335 | N327-A331 WeakPolarHBondContact O-CB 3.46Å; N327-A331 PolarHBondContact O-N 2.91Å; K328-A331 PolarHBondContact O-N 3.1Å; A331-N333 VanDerWaalsContact C-N 3.33Å; A331-N333 PolarHBondContact O-N 3.46Å; A331-N334 PolarHBondContact O-N 2.95Å; A331-Y335 WeakPolarHBondContact O-CB 3.46Å; A331-Y335 PolarHBondContact O-N 2.97Å |
| 332 | E | 97.6 | Very high | 96.5 | Very high | 88 Ų | 88 | 100.3 Ų | 100.3 | 41% | 0.411 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -38 | 174.5 | -74.4 | -176.1 | -160.8 | 0 | 0 | 112.4 | K328 V329 R336 | K328-E332 WeakPolarHBondContact CE-OE1 3.48Å; K328-E332 IonicContact NZ-OE1 2.61Å; K328-E332 WeakPolarHBondContact O-CG 3.5Å; K328-E332 PolarHBondContact O-N 3.04Å; V329-E332 PolarHBondContact O-N 3.42Å; E332-R336 WeakPolarHBondContact O-CG 3.39Å; E332-R336 PolarHBondContact O-N 3.41Å |
| 333 | N | 96.3 | Very high | 96.6 | Very high | 83 Ų | 83 | 99.7 Ų | 99.7 | 44% | 0.444 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.6 | -49.1 | 176.9 | -168 | -58.4 | 0 | 0 | 0 | 111 | V329 Q330 A331 Y335 R336 L337 | V329-N333 VanDerWaalsContact O-CB 3.26Å; V329-N333 WeakPolarHBondContact O-CB 3.47Å; V329-N333 PolarHBondContact O-N 2.95Å; Q330-N333 PolarHBondContact O-N 3.33Å; A331-N333 VanDerWaalsContact C-N 3.33Å; A331-N333 PolarHBondContact O-N 3.46Å; N333-Y335 VanDerWaalsContact C-N 3.29Å; N333-Y335 PolarHBondContact O-N 3.38Å; N333-R336 WeakPolarHBondContact O-CA 3.44Å; N333-R336 PolarHBondContact O-N 3.1Å; N333-L337 PolarHBondContact O-N 3.32Å; N333-L337 WeakPolarHBondContact OD1-CD1 3.32Å; N333-L337 WeakPolarHBondContact OD1-CG 3.1Å |
| 334 | N | 96.8 | Very high | 96.7 | Very high | 81 Ų | 81 | 98.4 Ų | 98.4 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.6 | -42.5 | 174.8 | -74.6 | -14.2 | 0 | 0 | 0 | 112 | Q330 A331 R336 L337 V338 | Q330-N334 WeakPolarHBondContact O-CB 3.4Å; Q330-N334 VanDerWaalsContact O-CG 3.25Å; Q330-N334 PolarHBondContact O-N 3.49Å; A331-N334 PolarHBondContact O-N 2.95Å; N334-R336 PolarHBondContact O-N 3.48Å; N334-L337 PolarHBondContact O-N 3.43Å; N334-V338 WeakPolarHBondContact O-CG2 3.46Å; N334-V338 PolarHBondContact O-N 2.9Å |
| 335 | Y | 97 | Very high | 96.9 | Very high | 189 Ų | 189 | 97.8 Ų | 97.8 | 74% | 0.741 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.2 | -33 | 175.8 | -178.5 | -96.3 | 0 | 0 | 0 | 112.9 | A331 N333 P339 | A331-Y335 WeakPolarHBondContact O-CB 3.46Å; A331-Y335 PolarHBondContact O-N 2.97Å; N333-Y335 VanDerWaalsContact C-N 3.29Å; N333-Y335 PolarHBondContact O-N 3.38Å; Y335-P339 WeakPolarHBondContact O-CD 3.35Å; Y335-P339 WeakPolarHBondContact O-CG 3.38Å |
| 336 | R | 95.8 | Very high | 97 | Very high | 180 Ų | 180 | 96.5 Ų | 96.5 | 68% | 0.679 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -80.9 | -36.9 | 175 | -66.5 | 175.6 | -168.5 | -155.1 | 6.2 | 113.1 | E332 N333 N334 | E332-R336 WeakPolarHBondContact O-CG 3.39Å; E332-R336 PolarHBondContact O-N 3.41Å; N333-R336 WeakPolarHBondContact O-CA 3.44Å; N333-R336 PolarHBondContact O-N 3.1Å; N334-R336 PolarHBondContact O-N 3.48Å |
| 337 | L | 97.2 | Very high | 97 | Very high | 96 Ų | 96 | 95.3 Ų | 95.3 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -75 | -40.4 | -177.3 | -73.7 | -177.2 | 0 | 0 | 0 | 113.3 | N333 N334 V340 N341 | N333-L337 PolarHBondContact O-N 3.32Å; N333-L337 WeakPolarHBondContact OD1-CD1 3.32Å; N333-L337 WeakPolarHBondContact OD1-CG 3.1Å; N334-L337 PolarHBondContact O-N 3.43Å; L337-V340 PolarHBondContact O-N 3.33Å; L337-N341 WeakPolarHBondContact O-CB 3.3Å; L337-N341 PolarHBondContact O-N 2.91Å |
| 338 | V | 97.8 | Very high | 97.2 | Very high | 80 Ų | 80 | 95.3 Ų | 95.3 | 49% | 0.485 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.3 | -47.3 | -175.4 | 167.3 | 0 | 0 | 0 | 0 | 112.8 | N334 V340 N341 N342 | N334-V338 WeakPolarHBondContact O-CG2 3.46Å; N334-V338 PolarHBondContact O-N 2.9Å; V338-V340 PolarHBondContact O-N 2.94Å; V338-N341 PolarHBondContact O-N 3.18Å; V338-N342 WeakPolarHBondContact O-CB 3.33Å; V338-N342 PolarHBondContact O-N 2.74Å; V338-N342 PolarHBondContact O-ND2 2.87Å; V338-N342 PolarHBondContact O-OD1 2.95Å |
| 339 | P | 97.4 | Very high | 97.2 | Very high | 66 Ų | 66 | 91.9 Ų | 91.9 | 43% | 0.429 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 176.2 | -24.1 | 34.9 | 0 | 0 | 0 | 113.4 | Y335 N342 I343 | Y335-P339 WeakPolarHBondContact O-CD 3.35Å; Y335-P339 WeakPolarHBondContact O-CG 3.38Å; P339-N342 PolarHBondContact O-N 3.25Å; P339-I343 WeakPolarHBondContact O-CG1 3.46Å; P339-I343 PolarHBondContact O-N 3.44Å |
| 340 | V | 97.5 | Very high | 97.2 | Very high | 80 Ų | 80 | 93.3 Ų | 93.3 | 49% | 0.485 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 178.9 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | L337 V338 N342 I343 I344 | L337-V340 PolarHBondContact O-N 3.33Å; V338-V340 PolarHBondContact O-N 2.94Å; V340-N342 VanDerWaalsContact C-N 3.34Å; V340-N342 PolarHBondContact O-N 3.3Å; V340-I343 PolarHBondContact O-N 3.42Å; V340-I344 HydrophobicContact CG1-CD1 4.09Å; V340-I344 WeakPolarHBondContact O-CG1 3.5Å; V340-I344 PolarHBondContact O-N 2.98Å |
| 341 | N | 96.9 | Very high | 97.3 | Very high | 90 Ų | 90 | 93 Ų | 93 | 48% | 0.481 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 175.7 | -171.9 | 80 | 0 | 0 | 0 | 111.9 | L337 V338 I343 I344 V345 | L337-N341 WeakPolarHBondContact O-CB 3.3Å; L337-N341 PolarHBondContact O-N 2.91Å; V338-N341 PolarHBondContact O-N 3.18Å; N341-I343 VanDerWaalsContact C-N 3.34Å; N341-I343 PolarHBondContact O-N 3.47Å; N341-I344 PolarHBondContact O-N 3.39Å; N341-V345 WeakPolarHBondContact O-CG2 3.08Å; N341-V345 PolarHBondContact O-N 3.17Å |
| 342 | N | 97.4 | Very high | 97.4 | Very high | 95 Ų | 95 | 96.5 Ų | 96.5 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 176 | -68.1 | -12.1 | 0 | 0 | 0 | 112.2 | V338 P339 V340 V345 S346 | V338-N342 WeakPolarHBondContact O-CB 3.33Å; V338-N342 PolarHBondContact O-N 2.74Å; V338-N342 PolarHBondContact O-ND2 2.87Å; V338-N342 PolarHBondContact O-OD1 2.95Å; P339-N342 PolarHBondContact O-N 3.25Å; V340-N342 VanDerWaalsContact C-N 3.34Å; V340-N342 PolarHBondContact O-N 3.3Å; N342-V345 PolarHBondContact O-N 2.9Å; N342-S346 PolarHBondContact O-N 3.17Å |
| 343 | I | 98 | Very high | 97.4 | Very high | 104 Ų | 104 | 97.3 Ų | 97.3 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 173.8 | -68.3 | 163.2 | 0 | 0 | 0 | 110.6 | P339 V340 N341 V345 S346 L347 | P339-I343 WeakPolarHBondContact O-CG1 3.46Å; P339-I343 PolarHBondContact O-N 3.44Å; V340-I343 PolarHBondContact O-N 3.42Å; N341-I343 VanDerWaalsContact C-N 3.34Å; N341-I343 PolarHBondContact O-N 3.47Å; I343-V345 PolarHBondContact O-N 3.21Å; I343-S346 PolarHBondContact O-N 3.09Å; I343-L347 HydrophobicContact CG2-CD1 3.88Å; I343-L347 HydrophobicContact CG2-CG 4.4Å; I343-L347 WeakPolarHBondContact O-CG 3.36Å; I343-L347 PolarHBondContact O-N 3.36Å |
| 344 | I | 97.2 | Very high | 97.5 | Very high | 79 Ų | 79 | 97.2 Ų | 97.2 | 41% | 0.405 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.8 | -48.2 | 176.3 | -68.3 | 164.1 | 0 | 0 | 0 | 110.6 | V340 N341 S346 L347 E348 | V340-I344 HydrophobicContact CG1-CD1 4.09Å; V340-I344 WeakPolarHBondContact O-CG1 3.5Å; V340-I344 PolarHBondContact O-N 2.98Å; N341-I344 PolarHBondContact O-N 3.39Å; I344-S346 VanDerWaalsContact C-N 3.32Å; I344-S346 PolarHBondContact O-N 2.93Å; I344-L347 PolarHBondContact O-N 3.01Å; I344-E348 HydrophobicContact CG2-CG 4.43Å; I344-E348 WeakPolarHBondContact O-CB 3.42Å; I344-E348 WeakPolarHBondContact O-CG 3.45Å; I344-E348 PolarHBondContact O-N 2.84Å |
| 345 | V | 98.1 | Very high | 97.5 | Very high | 78 Ų | 78 | 101.3 Ų | 101.3 | 47% | 0.473 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.2 | -37.3 | 178.2 | 172.9 | 0 | 0 | 0 | 0 | 112.1 | N341 N342 I343 A349 | N341-V345 WeakPolarHBondContact O-CG2 3.08Å; N341-V345 PolarHBondContact O-N 3.17Å; N342-V345 PolarHBondContact O-N 2.9Å; I343-V345 PolarHBondContact O-N 3.21Å; V345-A349 WeakPolarHBondContact O-CB 3.33Å; V345-A349 PolarHBondContact O-N 2.95Å |
| 346 | S | 98.3 | Very high | 97.5 | Very high | 61 Ų | 61 | 94.6 Ų | 94.6 | 43% | 0.427 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.3 | -49.1 | 173.8 | -164.5 | 0 | 0 | 0 | 0 | 111.6 | N342 I343 I344 E348 A349 E350 | N342-S346 PolarHBondContact O-N 3.17Å; I343-S346 PolarHBondContact O-N 3.09Å; I344-S346 VanDerWaalsContact C-N 3.32Å; I344-S346 PolarHBondContact O-N 2.93Å; S346-E348 VanDerWaalsContact C-N 3.33Å; S346-E348 PolarHBondContact O-N 3.45Å; S346-A349 WeakPolarHBondContact O-CB 3.39Å; S346-A349 PolarHBondContact O-N 3.42Å; S346-A349 VanDerWaalsContact O-N 3.1Å; S346-E350 WeakPolarHBondContact O-CG 3.34Å; S346-E350 PolarHBondContact O-N 3.31Å; S346-E350 PolarHBondContact OG-OE1 3.45Å |
| 347 | L | 98 | Very high | 97.6 | Very high | 88 Ų | 88 | 90.5 Ų | 90.5 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.9 | -35.8 | 179.2 | -68.8 | 171.4 | 0 | 0 | 0 | 112.2 | I343 I344 A349 E350 L351 | I343-L347 HydrophobicContact CG2-CD1 3.88Å; I343-L347 HydrophobicContact CG2-CG 4.4Å; I343-L347 WeakPolarHBondContact O-CG 3.36Å; I343-L347 PolarHBondContact O-N 3.36Å; I344-L347 PolarHBondContact O-N 3.01Å; L347-A349 VanDerWaalsContact C-N 3.34Å; L347-E350 PolarHBondContact O-N 3.29Å; L347-L351 WeakPolarHBondContact O-CB 3.33Å; L347-L351 VanDerWaalsContact O-CG 3.3Å; L347-L351 WeakPolarHBondContact O-CG 3.43Å; L347-L351 PolarHBondContact O-N 3.38Å |
| 348 | E | 97.3 | Very high | 97.7 | Very high | 96 Ų | 96 | 90 Ų | 90 | 45% | 0.449 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 171.7 | -77.2 | -173.2 | -172 | 0 | 0 | 112.7 | I344 S346 K352 | I344-E348 HydrophobicContact CG2-CG 4.43Å; I344-E348 WeakPolarHBondContact O-CB 3.42Å; I344-E348 WeakPolarHBondContact O-CG 3.45Å; I344-E348 PolarHBondContact O-N 2.84Å; S346-E348 VanDerWaalsContact C-N 3.33Å; S346-E348 PolarHBondContact O-N 3.45Å; E348-K352 WeakPolarHBondContact O-CD 3.42Å; E348-K352 VanDerWaalsContact O-CG 3.24Å; E348-K352 WeakPolarHBondContact O-CG 3.42Å; E348-K352 PolarHBondContact O-N 3.37Å; E348-K352 VanDerWaalsContact O-N 3.09Å; E348-K352 IonicContact OE2-NZ 3.21Å |
| 349 | A | 97.4 | Very high | 97.6 | Very high | 53 Ų | 53 | 92.7 Ų | 92.7 | 44% | 0.438 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.9 | -45.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V345 S346 L347 L351 K352 E353 | V345-A349 WeakPolarHBondContact O-CB 3.33Å; V345-A349 PolarHBondContact O-N 2.95Å; S346-A349 WeakPolarHBondContact O-CB 3.39Å; S346-A349 PolarHBondContact O-N 3.42Å; S346-A349 VanDerWaalsContact O-N 3.1Å; L347-A349 VanDerWaalsContact C-N 3.34Å; A349-L351 PolarHBondContact O-N 3.26Å; A349-K352 PolarHBondContact O-N 2.87Å; A349-E353 PolarHBondContact O-N 2.9Å |
| 350 | E | 98 | Very high | 97.6 | Very high | 106 Ų | 106 | 95.6 Ų | 95.6 | 50% | 0.495 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 174.2 | -72.2 | 168.5 | -143.5 | 0 | 0 | 111.8 | S346 L347 K352 E353 V354 | S346-E350 WeakPolarHBondContact O-CG 3.34Å; S346-E350 PolarHBondContact O-N 3.31Å; S346-E350 PolarHBondContact OG-OE1 3.45Å; L347-E350 PolarHBondContact O-N 3.29Å; E350-K352 VanDerWaalsContact C-N 3.35Å; E350-K352 PolarHBondContact O-N 2.86Å; E350-E353 PolarHBondContact O-N 2.87Å; E350-V354 WeakPolarHBondContact O-CG2 3.46Å; E350-V354 PolarHBondContact O-N 3.3Å |
| 351 | L | 97.6 | Very high | 97.6 | Very high | 102 Ų | 102 | 97.8 Ų | 97.8 | 53% | 0.534 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -36 | 175.4 | -78 | 171.9 | 0 | 0 | 0 | 113 | L347 A349 R355 | L347-L351 WeakPolarHBondContact O-CB 3.33Å; L347-L351 VanDerWaalsContact O-CG 3.3Å; L347-L351 WeakPolarHBondContact O-CG 3.43Å; L347-L351 PolarHBondContact O-N 3.38Å; A349-L351 PolarHBondContact O-N 3.26Å; L351-R355 WeakPolarHBondContact O-CD 3.28Å; L351-R355 VanDerWaalsContact O-CG 3.23Å; L351-R355 WeakPolarHBondContact O-CG 3.49Å; L351-R355 PolarHBondContact O-N 3.02Å; L351-R355 VanDerWaalsContact O-N 3.16Å |
| 352 | K | 97.3 | Very high | 97.6 | Very high | 131 Ų | 131 | 96.9 Ų | 96.9 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.4 | -43.6 | 174.3 | -74.3 | 163.9 | -171.1 | 162.1 | 0 | 111.1 | E348 A349 E350 R355 A356 | E348-K352 WeakPolarHBondContact O-CD 3.42Å; E348-K352 VanDerWaalsContact O-CG 3.24Å; E348-K352 WeakPolarHBondContact O-CG 3.42Å; E348-K352 PolarHBondContact O-N 3.37Å; E348-K352 VanDerWaalsContact O-N 3.09Å; E348-K352 IonicContact OE2-NZ 3.21Å; A349-K352 PolarHBondContact O-N 2.87Å; E350-K352 VanDerWaalsContact C-N 3.35Å; E350-K352 PolarHBondContact O-N 2.86Å; K352-R355 PolarHBondContact O-N 3.15Å; K352-A356 PolarHBondContact O-N 3.27Å |
| 353 | E | 98.1 | Very high | 97.6 | Very high | 105 Ų | 105 | 96.2 Ų | 96.2 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | 177.7 | 178.8 | 55.9 | -154.6 | 0 | 0 | 111.8 | A349 E350 R355 A356 Q357 | A349-E353 PolarHBondContact O-N 2.9Å; E350-E353 PolarHBondContact O-N 2.87Å; E353-R355 VanDerWaalsContact C-N 3.3Å; E353-R355 PolarHBondContact O-N 2.96Å; E353-A356 PolarHBondContact O-N 2.77Å; E353-Q357 WeakPolarHBondContact O-CG 3.44Å; E353-Q357 PolarHBondContact O-N 3.23Å; E353-Q357 PolarHBondContact OE1-NE2 3.25Å |
| 354 | V | 97.9 | Very high | 97.6 | Very high | 82 Ų | 82 | 94.1 Ų | 94.1 | 50% | 0.497 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 176.4 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | E350 Q357 V358 | E350-V354 WeakPolarHBondContact O-CG2 3.46Å; E350-V354 PolarHBondContact O-N 3.3Å; V354-Q357 PolarHBondContact O-N 2.87Å; V354-V358 WeakPolarHBondContact O-CG2 3.43Å; V354-V358 PolarHBondContact O-N 2.94Å |
| 355 | R | 97.7 | Very high | 97.6 | Very high | 167 Ų | 167 | 98 Ų | 98 | 63% | 0.63 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.5 | -47.3 | 174.3 | -74.9 | 170.8 | -176.3 | -173.3 | 2.4 | 111.8 | L351 K352 E353 Q357 V358 E359 | L351-R355 WeakPolarHBondContact O-CD 3.28Å; L351-R355 VanDerWaalsContact O-CG 3.23Å; L351-R355 WeakPolarHBondContact O-CG 3.49Å; L351-R355 PolarHBondContact O-N 3.02Å; L351-R355 VanDerWaalsContact O-N 3.16Å; K352-R355 PolarHBondContact O-N 3.15Å; E353-R355 VanDerWaalsContact C-N 3.3Å; E353-R355 PolarHBondContact O-N 2.96Å; R355-Q357 VanDerWaalsContact C-N 3.32Å; R355-Q357 PolarHBondContact O-N 2.93Å; R355-V358 PolarHBondContact O-N 2.71Å; R355-V358 VanDerWaalsContact O-N 3.17Å; R355-E359 WeakPolarHBondContact O-CG 3.27Å; R355-E359 PolarHBondContact O-N 3.03Å |
| 356 | A | 97.4 | Very high | 97.5 | Very high | 48 Ų | 48 | 99.8 Ų | 99.8 | 40% | 0.397 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | K352 E353 E359 Q360 | K352-A356 PolarHBondContact O-N 3.27Å; E353-A356 PolarHBondContact O-N 2.77Å; A356-E359 PolarHBondContact O-N 2.98Å; A356-Q360 WeakPolarHBondContact O-CB 3.4Å; A356-Q360 PolarHBondContact O-N 3.21Å |
| 357 | Q | 98 | Very high | 97.4 | Very high | 94 Ų | 94 | 103 Ų | 103 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 174.2 | -69.7 | 179.8 | 18.2 | 0 | 0 | 112.2 | E353 V354 R355 Q360 K361 | E353-Q357 WeakPolarHBondContact O-CG 3.44Å; E353-Q357 PolarHBondContact O-N 3.23Å; E353-Q357 PolarHBondContact OE1-NE2 3.25Å; V354-Q357 PolarHBondContact O-N 2.87Å; R355-Q357 VanDerWaalsContact C-N 3.32Å; R355-Q357 PolarHBondContact O-N 2.93Å; Q357-Q360 PolarHBondContact O-N 3.03Å; Q357-K361 WeakPolarHBondContact O-CG 3.34Å; Q357-K361 PolarHBondContact O-N 2.92Å |
| 358 | V | 97.6 | Very high | 97.4 | Very high | 85 Ų | 85 | 103.9 Ų | 103.9 | 52% | 0.515 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 175.2 | 168.4 | 0 | 0 | 0 | 0 | 111 | V354 R355 Q360 K361 V362 | V354-V358 WeakPolarHBondContact O-CG2 3.43Å; V354-V358 PolarHBondContact O-N 2.94Å; R355-V358 PolarHBondContact O-N 2.71Å; R355-V358 VanDerWaalsContact O-N 3.17Å; V358-Q360 PolarHBondContact O-N 3.32Å; V358-K361 PolarHBondContact O-N 2.95Å; V358-V362 HydrophobicContact CG1-CG2 4.49Å; V358-V362 WeakPolarHBondContact O-CG2 3.12Å; V358-V362 PolarHBondContact O-N 3.4Å |
| 359 | E | 97.1 | Very high | 97.4 | Very high | 137 Ų | 137 | 103.9 Ų | 103.9 | 64% | 0.64 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.9 | -44.5 | 175.3 | -72.3 | 171.7 | -165.9 | 0 | 0 | 111.7 | R355 A356 K361 V362 E363 | R355-E359 WeakPolarHBondContact O-CG 3.27Å; R355-E359 PolarHBondContact O-N 3.03Å; A356-E359 PolarHBondContact O-N 2.98Å; E359-K361 VanDerWaalsContact C-N 3.34Å; E359-K361 PolarHBondContact O-N 3.35Å; E359-V362 PolarHBondContact O-N 3.08Å; E359-E363 PolarHBondContact O-N 3.42Å |
| 360 | Q | 97.5 | Very high | 97.4 | Very high | 126 Ų | 126 | 105 Ų | 105 | 59% | 0.589 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.2 | -39.9 | 175.2 | -167.7 | -166.8 | 31.3 | 0 | 0 | 112.2 | A356 Q357 V358 S364 | A356-Q360 WeakPolarHBondContact O-CB 3.4Å; A356-Q360 PolarHBondContact O-N 3.21Å; Q357-Q360 PolarHBondContact O-N 3.03Å; V358-Q360 PolarHBondContact O-N 3.32Å; Q360-S364 WeakPolarHBondContact O-CB 3.25Å; Q360-S364 PolarHBondContact O-N 2.83Å; Q360-S364 PolarHBondContact O-OG 2.84Å |
| 361 | K | 97 | Very high | 97.4 | Very high | 126 Ų | 126 | 104.6 Ų | 104.6 | 55% | 0.548 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.3 | -43.9 | 176 | -67.7 | -61.2 | -179.7 | -173.5 | 0 | 111.6 | Q357 V358 E359 E363 S364 Y365 | Q357-K361 WeakPolarHBondContact O-CG 3.34Å; Q357-K361 PolarHBondContact O-N 2.92Å; V358-K361 PolarHBondContact O-N 2.95Å; E359-K361 VanDerWaalsContact C-N 3.34Å; E359-K361 PolarHBondContact O-N 3.35Å; K361-E363 VanDerWaalsContact C-N 3.33Å; K361-E363 PolarHBondContact O-N 3.22Å; K361-S364 WeakPolarHBondContact O-CB 3.25Å; K361-S364 PolarHBondContact O-N 2.84Å; K361-S364 VanDerWaalsContact O-N 3.15Å; K361-Y365 HydrophobicContact CB-CD2 4.45Å; K361-Y365 HydrophobicContact CB-CE2 4.29Å; K361-Y365 WeakPolarHBondContact O-CD2 3.31Å; K361-Y365 PolarHBondContact O-N 2.61Å |
| 362 | V | 97.6 | Very high | 97.3 | Very high | 72 Ų | 72 | 104.5 Ų | 104.5 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.5 | -47.4 | 174.9 | 168.7 | 0 | 0 | 0 | 0 | 110.7 | V358 E359 S364 Y365 K366 | V358-V362 HydrophobicContact CG1-CG2 4.49Å; V358-V362 WeakPolarHBondContact O-CG2 3.12Å; V358-V362 PolarHBondContact O-N 3.4Å; E359-V362 PolarHBondContact O-N 3.08Å; V362-S364 VanDerWaalsContact C-N 3.33Å; V362-S364 PolarHBondContact O-N 3.44Å; V362-Y365 PolarHBondContact O-N 3.37Å; V362-K366 WeakPolarHBondContact O-CG 3.49Å; V362-K366 PolarHBondContact O-N 2.87Å |
| 363 | E | 97.2 | Very high | 97.3 | Very high | 81 Ų | 81 | 103 Ų | 103 | 38% | 0.379 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 177.3 | -175.5 | 54.9 | -155.5 | 0 | 0 | 112.8 | E359 K361 K366 K367 | E359-E363 PolarHBondContact O-N 3.42Å; K361-E363 VanDerWaalsContact C-N 3.33Å; K361-E363 PolarHBondContact O-N 3.22Å; E363-K366 PolarHBondContact O-N 2.91Å; E363-K367 WeakPolarHBondContact O-CG 3.38Å; E363-K367 PolarHBondContact O-N 3.46Å; E363-K367 VanDerWaalsContact O-N 3.1Å; E363-K367 WeakPolarHBondContact OE1-CE 3.48Å; E363-K367 IonicContact OE1-NZ 2.61Å; E363-K367 PolarHBondContact OE1-NZ 3.2Å |
| 364 | S | 96.8 | Very high | 97.2 | Very high | 60 Ų | 60 | 104.6 Ų | 104.6 | 42% | 0.42 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.5 | -41.1 | 174.1 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | Q360 K361 V362 K367 L368 | Q360-S364 WeakPolarHBondContact O-CB 3.25Å; Q360-S364 PolarHBondContact O-N 2.83Å; Q360-S364 PolarHBondContact O-OG 2.84Å; K361-S364 WeakPolarHBondContact O-CB 3.25Å; K361-S364 PolarHBondContact O-N 2.84Å; K361-S364 VanDerWaalsContact O-N 3.15Å; V362-S364 VanDerWaalsContact C-N 3.33Å; V362-S364 PolarHBondContact O-N 3.44Å; S364-K367 PolarHBondContact O-N 3.39Å; S364-L368 PolarHBondContact O-N 2.73Å |
| 365 | Y | 97.6 | Very high | 97.1 | Very high | 161 Ų | 161 | 104.6 Ų | 104.6 | 63% | 0.631 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.2 | -39.4 | 175.4 | -74.8 | -59.3 | 0 | 0 | 0 | 112.2 | K361 V362 K367 L368 L369 | K361-Y365 HydrophobicContact CB-CD2 4.45Å; K361-Y365 HydrophobicContact CB-CE2 4.29Å; K361-Y365 WeakPolarHBondContact O-CD2 3.31Å; K361-Y365 PolarHBondContact O-N 2.61Å; V362-Y365 PolarHBondContact O-N 3.37Å; Y365-K367 VanDerWaalsContact C-N 3.34Å; Y365-K367 PolarHBondContact O-N 2.99Å; Y365-L368 PolarHBondContact O-N 3.09Å; Y365-L369 WeakPolarHBondContact O-CB 3.32Å; Y365-L369 PolarHBondContact O-N 3.32Å |
| 366 | K | 96.6 | Very high | 97 | Very high | 115 Ų | 115 | 100.5 Ų | 100.5 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.3 | -47.8 | 172 | -75.3 | 177.7 | 178 | -177.4 | 0 | 111.1 | V362 E363 L368 L369 C370 | V362-K366 WeakPolarHBondContact O-CG 3.49Å; V362-K366 PolarHBondContact O-N 2.87Å; E363-K366 PolarHBondContact O-N 2.91Å; K366-L368 PolarHBondContact O-N 2.92Å; K366-L369 PolarHBondContact O-N 3.32Å; K366-C370 PolarHBondContact O-N 3.36Å; K366-C370 PolarHBondContact O-SG 2.85Å; K366-C370 VanDerWaalsContact O-SG 3.33Å |
| 367 | K | 96.8 | Very high | 96.8 | Very high | 129 Ų | 129 | 105 Ų | 105 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.1 | -44.1 | 177.2 | -73.2 | 167.9 | -177.2 | 160.6 | 0 | 112.6 | E363 S364 Y365 C370 L371 | E363-K367 WeakPolarHBondContact O-CG 3.38Å; E363-K367 PolarHBondContact O-N 3.46Å; E363-K367 VanDerWaalsContact O-N 3.1Å; E363-K367 WeakPolarHBondContact OE1-CE 3.48Å; E363-K367 IonicContact OE1-NZ 2.61Å; E363-K367 PolarHBondContact OE1-NZ 3.2Å; S364-K367 PolarHBondContact O-N 3.39Å; Y365-K367 VanDerWaalsContact C-N 3.34Å; Y365-K367 PolarHBondContact O-N 2.99Å; K367-C370 PolarHBondContact O-N 2.83Å; K367-L371 PolarHBondContact O-N 3.29Å |
| 368 | L | 97.5 | Very high | 96.7 | Very high | 106 Ų | 106 | 105 Ų | 105 | 56% | 0.555 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.6 | -41.1 | 177.2 | -176.4 | 60.8 | 0 | 0 | 0 | 111.9 | S364 Y365 K366 L371 K372 | S364-L368 PolarHBondContact O-N 2.73Å; Y365-L368 PolarHBondContact O-N 3.09Å; K366-L368 PolarHBondContact O-N 2.92Å; L368-L371 PolarHBondContact O-N 3.48Å; L368-K372 WeakPolarHBondContact O-CB 3.39Å; L368-K372 PolarHBondContact O-N 3.49Å |
| 369 | L | 97 | Very high | 96.5 | Very high | 96 Ų | 96 | 105.4 Ų | 105.4 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 174.6 | 179.6 | 61.7 | 0 | 0 | 0 | 111.4 | Y365 K366 L371 K372 M373 | Y365-L369 WeakPolarHBondContact O-CB 3.32Å; Y365-L369 PolarHBondContact O-N 3.32Å; K366-L369 PolarHBondContact O-N 3.32Å; L369-L371 VanDerWaalsContact C-N 3.3Å; L369-L371 PolarHBondContact O-N 3.02Å; L369-K372 HydrophobicContact CD1-CD 4.48Å; L369-K372 PolarHBondContact O-N 2.85Å; L369-M373 HydrophobicContact CD1-CG 4.34Å; L369-M373 HydrophobicContact CD1-SD 4.43Å; L369-M373 HydrophobicContact CG-SD 4.23Å; L369-M373 WeakPolarHBondContact O-CB 3.35Å; L369-M373 WeakPolarHBondContact O-CG 2.98Å; L369-M373 PolarHBondContact O-N 2.87Å |
| 370 | C | 96.9 | Very high | 96.2 | Very high | 76 Ų | 76 | 104.7 Ų | 104.7 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.5 | -38.3 | 175.4 | -72 | 0 | 0 | 0 | 0 | 112.8 | K366 K367 K374 | K366-C370 PolarHBondContact O-N 3.36Å; K366-C370 PolarHBondContact O-SG 2.85Å; K366-C370 VanDerWaalsContact O-SG 3.33Å; K367-C370 PolarHBondContact O-N 2.83Å; C370-K374 WeakPolarHBondContact O-CG 3.5Å; C370-K374 PolarHBondContact O-N 3.46Å |
| 371 | L | 97.4 | Very high | 95.8 | Very high | 98 Ų | 98 | 103.9 Ų | 103.9 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71 | -42.7 | 176.3 | -172.6 | 145.8 | 0 | 0 | 0 | 111.6 | K367 L368 L369 M373 K374 L375 | K367-L371 PolarHBondContact O-N 3.29Å; L368-L371 PolarHBondContact O-N 3.48Å; L369-L371 VanDerWaalsContact C-N 3.3Å; L369-L371 PolarHBondContact O-N 3.02Å; L371-M373 VanDerWaalsContact C-N 3.35Å; L371-M373 PolarHBondContact O-N 3.43Å; L371-K374 WeakPolarHBondContact O-CB 3.43Å; L371-K374 PolarHBondContact O-N 3.25Å; L371-K374 VanDerWaalsContact O-N 3.08Å; L371-L375 HydrophobicContact CD2-CD1 3.61Å; L371-L375 HydrophobicContact CD2-CG 4.13Å; L371-L375 PolarHBondContact O-N 2.94Å |
| 372 | K | 96.9 | Very high | 95.6 | Very high | 100 Ų | 100 | 104.8 Ų | 104.8 | 44% | 0.435 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 174.4 | -177 | -103.7 | -179.2 | -162.8 | 0 | 111.6 | L368 L369 K374 L375 E376 | L368-K372 WeakPolarHBondContact O-CB 3.39Å; L368-K372 PolarHBondContact O-N 3.49Å; L369-K372 HydrophobicContact CD1-CD 4.48Å; L369-K372 PolarHBondContact O-N 2.85Å; K372-K374 VanDerWaalsContact C-N 3.29Å; K372-K374 PolarHBondContact O-N 3.19Å; K372-L375 PolarHBondContact O-N 2.88Å; K372-E376 WeakPolarHBondContact CD-OE2 3.14Å; K372-E376 WeakPolarHBondContact CE-OE1 3.33Å; K372-E376 VanDerWaalsContact CE-OE2 3.25Å; K372-E376 WeakPolarHBondContact CE-OE2 3.24Å; K372-E376 IonicContact NZ-OE1 2.69Å; K372-E376 PolarHBondContact NZ-OE1 3.34Å; K372-E376 IonicContact NZ-OE2 3.92Å; K372-E376 PolarHBondContact NZ-OE2 3.22Å; K372-E376 WeakPolarHBondContact O-CG 3.45Å; K372-E376 PolarHBondContact O-N 2.95Å |
| 373 | M | 96.1 | Very high | 95.1 | Very high | 98 Ų | 98 | 106.4 Ų | 106.4 | 48% | 0.483 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.6 | -25.2 | 174.5 | -70.4 | 177.7 | 74.3 | 0 | 0 | 114.1 | L369 L371 K377 | L369-M373 HydrophobicContact CD1-CG 4.34Å; L369-M373 HydrophobicContact CD1-SD 4.43Å; L369-M373 HydrophobicContact CG-SD 4.23Å; L369-M373 WeakPolarHBondContact O-CB 3.35Å; L369-M373 WeakPolarHBondContact O-CG 2.98Å; L369-M373 PolarHBondContact O-N 2.87Å; L371-M373 VanDerWaalsContact C-N 3.35Å; L371-M373 PolarHBondContact O-N 3.43Å; M373-K377 WeakPolarHBondContact O-CG 3.28Å |
| 374 | K | 96.8 | Very high | 94.5 | Very high | 139 Ų | 139 | 107 Ų | 107 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -75.2 | -48.7 | 171.6 | -74.1 | 176.4 | 179.9 | -173.5 | 0 | 111.1 | C370 L371 K372 E376 K377 E378 | C370-K374 WeakPolarHBondContact O-CG 3.5Å; C370-K374 PolarHBondContact O-N 3.46Å; L371-K374 WeakPolarHBondContact O-CB 3.43Å; L371-K374 PolarHBondContact O-N 3.25Å; L371-K374 VanDerWaalsContact O-N 3.08Å; K372-K374 VanDerWaalsContact C-N 3.29Å; K372-K374 PolarHBondContact O-N 3.19Å; K374-E376 VanDerWaalsContact C-N 3.28Å; K374-E376 PolarHBondContact O-N 3.06Å; K374-K377 WeakPolarHBondContact O-CB 3.36Å; K374-K377 PolarHBondContact O-N 3.33Å; K374-E378 PolarHBondContact O-N 2.87Å |
| 375 | L | 96.1 | Very high | 93.9 | Very high | 82 Ų | 82 | 108.6 Ų | 108.6 | 43% | 0.429 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.6 | -38.2 | 176.9 | -67.6 | 177.9 | 0 | 0 | 0 | 112.1 | L371 K372 K377 E378 I379 | L371-L375 HydrophobicContact CD2-CD1 3.61Å; L371-L375 HydrophobicContact CD2-CG 4.13Å; L371-L375 PolarHBondContact O-N 2.94Å; K372-L375 PolarHBondContact O-N 2.88Å; L375-K377 VanDerWaalsContact C-N 3.3Å; L375-K377 PolarHBondContact O-N 3.03Å; L375-E378 PolarHBondContact O-N 3.37Å; L375-I379 VanDerWaalsContact O-CG1 3.28Å; L375-I379 WeakPolarHBondContact O-CG1 3.23Å; L375-I379 PolarHBondContact O-N 3.23Å |
| 376 | E | 95.2 | Very high | 92.9 | Very high | 82 Ų | 82 | 107 Ų | 107 | 38% | 0.383 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -35.1 | 174.2 | -75.6 | 179 | 136.2 | 0 | 0 | 112.9 | K372 K374 Q380 | K372-E376 WeakPolarHBondContact CD-OE2 3.14Å; K372-E376 WeakPolarHBondContact CE-OE1 3.33Å; K372-E376 VanDerWaalsContact CE-OE2 3.25Å; K372-E376 WeakPolarHBondContact CE-OE2 3.24Å; K372-E376 IonicContact NZ-OE1 2.69Å; K372-E376 PolarHBondContact NZ-OE1 3.34Å; K372-E376 IonicContact NZ-OE2 3.92Å; K372-E376 PolarHBondContact NZ-OE2 3.22Å; K372-E376 WeakPolarHBondContact O-CG 3.45Å; K372-E376 PolarHBondContact O-N 2.95Å; K374-E376 VanDerWaalsContact C-N 3.28Å; K374-E376 PolarHBondContact O-N 3.06Å; E376-Q380 VanDerWaalsContact O-CG 3.25Å; E376-Q380 WeakPolarHBondContact O-CG 3.31Å; E376-Q380 PolarHBondContact O-N 3.36Å; E376-Q380 VanDerWaalsContact O-N 3.09Å |
| 377 | K | 94.3 | Very high | 91.3 | Very high | 143 Ų | 143 | 103.8 Ų | 103.8 | 62% | 0.622 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -72 | -40.2 | 173 | -71.1 | 176.7 | 177.8 | -171.8 | 0 | 112.3 | M373 K374 L375 I379 Q380 E381 | M373-K377 WeakPolarHBondContact O-CG 3.28Å; K374-K377 WeakPolarHBondContact O-CB 3.36Å; K374-K377 PolarHBondContact O-N 3.33Å; L375-K377 VanDerWaalsContact C-N 3.3Å; L375-K377 PolarHBondContact O-N 3.03Å; K377-I379 VanDerWaalsContact C-N 3.34Å; K377-Q380 PolarHBondContact O-N 2.96Å; K377-E381 PolarHBondContact O-N 3.36Å |
| 378 | E | 95.4 | Very high | 89.4 | Confident | 92 Ų | 92 | 102.9 Ų | 102.9 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 175.5 | -71.3 | 170.7 | -156 | 0 | 0 | 111 | K374 L375 E381 Y382 | K374-E378 PolarHBondContact O-N 2.87Å; L375-E378 PolarHBondContact O-N 3.37Å; E378-E381 PolarHBondContact O-N 2.89Å; E378-Y382 HydrophobicContact CB-CE2 4.09Å; E378-Y382 WeakPolarHBondContact O-CD2 3.49Å; E378-Y382 PolarHBondContact O-N 3.26Å |
| 379 | I | 92.1 | Very high | 87.2 | Confident | 95 Ų | 95 | 102.6 Ų | 102.6 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 173.9 | -68.4 | 164 | 0 | 0 | 0 | 111.1 | L375 K377 E381 Y382 D383 | L375-I379 VanDerWaalsContact O-CG1 3.28Å; L375-I379 WeakPolarHBondContact O-CG1 3.23Å; L375-I379 PolarHBondContact O-N 3.23Å; K377-I379 VanDerWaalsContact C-N 3.34Å; I379-E381 VanDerWaalsContact C-N 3.27Å; I379-E381 PolarHBondContact O-N 3.41Å; I379-Y382 PolarHBondContact O-N 3.22Å; I379-D383 PolarHBondContact O-N 3.45Å |
| 380 | Q | 92.1 | Very high | 84.9 | Confident | 122 Ų | 122 | 101.2 Ų | 101.2 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.9 | -38 | 175 | -75 | 169.5 | -5.6 | 0 | 0 | 112.5 | E376 K377 N384 | E376-Q380 VanDerWaalsContact O-CG 3.25Å; E376-Q380 WeakPolarHBondContact O-CG 3.31Å; E376-Q380 PolarHBondContact O-N 3.36Å; E376-Q380 VanDerWaalsContact O-N 3.09Å; K377-Q380 PolarHBondContact O-N 2.96Å; Q380-N384 PolarHBondContact O-N 3.41Å; Q380-N384 PolarHBondContact O-ND2 2.98Å |
| 381 | E | 89 | Confident | 82.6 | Confident | 109 Ų | 109 | 103.2 Ų | 103.2 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.4 | -39.7 | 176.1 | -163.3 | 66.8 | -173.3 | 0 | 0 | 112 | K377 E378 I379 N384 L385 | K377-E381 PolarHBondContact O-N 3.36Å; E378-E381 PolarHBondContact O-N 2.89Å; I379-E381 VanDerWaalsContact C-N 3.27Å; I379-E381 PolarHBondContact O-N 3.41Å; E381-N384 WeakPolarHBondContact O-CB 3.3Å; E381-N384 PolarHBondContact O-N 3.41Å; E381-L385 WeakPolarHBondContact O-CG 3.22Å; E381-L385 PolarHBondContact O-N 2.78Å |
| 382 | Y | 92.9 | Very high | 80.5 | Confident | 145 Ų | 145 | 107.2 Ų | 107.2 | 57% | 0.569 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.4 | -40.6 | 172.8 | -67.3 | -53.1 | 0 | 0 | 0 | 112.1 | E378 I379 N384 L385 M386 | E378-Y382 HydrophobicContact CB-CE2 4.09Å; E378-Y382 WeakPolarHBondContact O-CD2 3.49Å; E378-Y382 PolarHBondContact O-N 3.26Å; I379-Y382 PolarHBondContact O-N 3.22Å; Y382-N384 VanDerWaalsContact C-N 3.33Å; Y382-N384 PolarHBondContact O-N 3.24Å; Y382-L385 PolarHBondContact O-N 3.05Å; Y382-M386 WeakPolarHBondContact O-CB 3.45Å; Y382-M386 WeakPolarHBondContact O-CG 3.4Å; Y382-M386 PolarHBondContact O-N 3.41Å |
| 383 | D | 85.4 | Confident | 78.5 | Confident | 106 Ų | 106 | 110.5 Ų | 110.5 | 57% | 0.567 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.6 | -39.5 | 174.3 | -75.9 | -24.6 | 0 | 0 | 0 | 111.3 | I379 G387 | I379-D383 PolarHBondContact O-N 3.45Å; D383-G387 PolarHBondContact O-N 2.97Å |
| 384 | N | 85.6 | Confident | 76.5 | Confident | 94 Ų | 94 | 109.9 Ų | 109.9 | 50% | 0.503 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.4 | -47.5 | 172.9 | -70.4 | -27.1 | 0 | 0 | 0 | 111.7 | Q380 E381 Y382 M386 G387 I388 | Q380-N384 PolarHBondContact O-N 3.41Å; Q380-N384 PolarHBondContact O-ND2 2.98Å; E381-N384 WeakPolarHBondContact O-CB 3.3Å; E381-N384 PolarHBondContact O-N 3.41Å; Y382-N384 VanDerWaalsContact C-N 3.33Å; Y382-N384 PolarHBondContact O-N 3.24Å; N384-M386 PolarHBondContact O-N 3.19Å; N384-G387 PolarHBondContact O-N 3.34Å; N384-I388 WeakPolarHBondContact O-CD1 3.32Å; N384-I388 VanDerWaalsContact O-CG1 3.31Å; N384-I388 WeakPolarHBondContact O-CG1 3.33Å; N384-I388 PolarHBondContact O-N 3.39Å |
| 385 | L | 85.1 | Confident | 74.5 | Confident | 92 Ų | 92 | 109.4 Ų | 109.4 | 48% | 0.482 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65 | -37 | 178.8 | -71.5 | 167.8 | 0 | 0 | 0 | 112.6 | E381 Y382 I388 T389 | E381-L385 WeakPolarHBondContact O-CG 3.22Å; E381-L385 PolarHBondContact O-N 2.78Å; Y382-L385 PolarHBondContact O-N 3.05Å; L385-I388 PolarHBondContact O-N 3.1Å; L385-T389 PolarHBondContact O-N 2.86Å; L385-T389 PolarHBondContact O-OG1 3.38Å |
| 386 | M | 75.3 | Confident | 72.4 | Confident | 128 Ų | 128 | 111 Ų | 111 | 63% | 0.631 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.2 | -35.1 | 172.7 | -72.6 | -61.1 | -56.8 | 0 | 0 | 112 | Y382 N384 I388 T389 A390 | Y382-M386 WeakPolarHBondContact O-CB 3.45Å; Y382-M386 WeakPolarHBondContact O-CG 3.4Å; Y382-M386 PolarHBondContact O-N 3.41Å; N384-M386 PolarHBondContact O-N 3.19Å; M386-I388 VanDerWaalsContact C-N 3.3Å; M386-I388 PolarHBondContact O-N 3.37Å; M386-T389 WeakPolarHBondContact CA-OG1 3.39Å; M386-T389 PolarHBondContact O-N 3.34Å; M386-T389 PolarHBondContact O-OG1 2.85Å; M386-A390 WeakPolarHBondContact O-CB 3.45Å; M386-A390 PolarHBondContact O-N 2.77Å |
| 387 | G | 62.8 | Low | 70.5 | Confident | 47 Ų | 47 | 112.9 Ų | 112.9 | 49% | 0.485 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.6 | -34.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D383 N384 | D383-G387 PolarHBondContact O-N 2.97Å; N384-G387 PolarHBondContact O-N 3.34Å |
| 388 | I | 57 | Low | 68.5 | Low | 110 Ų | 110 | 112.1 Ų | 112.1 | 56% | 0.564 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -75.9 | -36.1 | 177.1 | -67.3 | 161.2 | 0 | 0 | 0 | 111.7 | N384 L385 M386 A390 D391 | N384-I388 WeakPolarHBondContact O-CD1 3.32Å; N384-I388 VanDerWaalsContact O-CG1 3.31Å; N384-I388 WeakPolarHBondContact O-CG1 3.33Å; N384-I388 PolarHBondContact O-N 3.39Å; L385-I388 PolarHBondContact O-N 3.1Å; M386-I388 VanDerWaalsContact C-N 3.3Å; M386-I388 PolarHBondContact O-N 3.37Å; I388-A390 VanDerWaalsContact C-N 3.26Å; I388-A390 PolarHBondContact O-N 3.28Å; I388-D391 PolarHBondContact O-N 2.78Å |
| 389 | T | 51 | Low | 66.7 | Low | 100 Ų | 100 | 112.8 Ų | 112.8 | 61% | 0.613 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -76.6 | -13.3 | 173.7 | 53.1 | 0 | 0 | 0 | 0 | 113.4 | L385 M386 D391 | L385-T389 PolarHBondContact O-N 2.86Å; L385-T389 PolarHBondContact O-OG1 3.38Å; M386-T389 WeakPolarHBondContact CA-OG1 3.39Å; M386-T389 PolarHBondContact O-N 3.34Å; M386-T389 PolarHBondContact O-OG1 2.85Å; T389-D391 PolarHBondContact O-N 2.87Å |
| 390 | A | 49 | Very low | 64.9 | Low | 68 Ų | 68 | 115.9 Ų | 115.9 | 56% | 0.562 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 20.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114 | M386 I388 K392 | M386-A390 WeakPolarHBondContact O-CB 3.45Å; M386-A390 PolarHBondContact O-N 2.77Å; I388-A390 VanDerWaalsContact C-N 3.26Å; I388-A390 PolarHBondContact O-N 3.28Å; A390-K392 PolarHBondContact O-N 3.01Å |
| 391 | D | 49.2 | Very low | 63.3 | Low | 117 Ų | 117 | 115.6 Ų | 115.6 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | trans | -58.6 | 123.3 | 166.3 | -93.5 | -24.5 | 0 | 0 | 0 | 110.5 | I388 T389 E393 S394 | I388-D391 PolarHBondContact O-N 2.78Å; T389-D391 PolarHBondContact O-N 2.87Å; D391-E393 PolarHBondContact O-N 3.16Å; D391-S394 PolarHBondContact O-N 2.83Å | ||
| 392 | K | 54.1 | Low | 61.6 | Low | 182 Ų | 182 | 114.2 Ų | 114.2 | 79% | 0.791 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -7.1 | -156.2 | -71.5 | 169.7 | 178.1 | 166 | 0 | 116 | A390 | A390-K392 PolarHBondContact O-N 3.01Š|
| 393 | E | 54.7 | Low | 59.6 | Low | 169 Ų | 169 | 114.4 Ų | 114.4 | 79% | 0.79 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -75.3 | -28.1 | -177.8 | -62.2 | -170.4 | 148.8 | 0 | 0 | 112.7 | D391 L395 | D391-E393 PolarHBondContact O-N 3.16Å; E393-L395 VanDerWaalsContact C-N 3.33Å; E393-L395 PolarHBondContact O-N 2.93Å |
| 394 | S | 53.2 | Low | 58.2 | Low | 85 Ų | 85 | 113.9 Ų | 113.9 | 59% | 0.594 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -72 | -21.8 | -177.7 | -61.8 | 0 | 0 | 0 | 0 | 114.3 | D391 | D391-S394 PolarHBondContact O-N 2.83Å |
| 395 | L | 54.1 | Low | 56.1 | Low | 129 Ų | 129 | 121.8 Ų | 121.8 | 68% | 0.675 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -87.3 | -29.7 | 177.8 | -117.9 | 82.1 | 0 | 0 | 0 | 113.4 | E393 L397 I399 | E393-L395 VanDerWaalsContact C-N 3.33Å; E393-L395 PolarHBondContact O-N 2.93Å; L395-L397 VanDerWaalsContact C-N 3.31Å; L395-L397 PolarHBondContact O-N 3.25Å; L395-I399 WeakPolarHBondContact O-CG1 3.49Å |
| 396 | E | 53.8 | Low | 54.7 | Low | 115 Ų | 115 | 123.3 Ų | 123.3 | 54% | 0.537 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -68.9 | -26.8 | 178.9 | -89.8 | -86.5 | 146 | 0 | 0 | 113 | R400 | E396-R400 PolarHBondContact O-NH1 3.38Å; E396-R400 IonicContact OE2-CZ 3.45Å; E396-R400 IonicContact OE2-NH1 2.7Å; E396-R400 PolarHBondContact OE2-NH1 3.27Å; E396-R400 IonicContact OE2-NH2 3.27Å; E396-R400 PolarHBondContact OE2-NH2 2.7Å |
| 397 | L | 53.8 | Low | 53.6 | Low | 122 Ų | 122 | 123 Ų | 123 | 64% | 0.639 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -74 | -45.7 | 176.3 | -99.5 | 152.5 | 0 | 0 | 0 | 112.1 | L395 I399 R400 | L395-L397 VanDerWaalsContact C-N 3.31Å; L395-L397 PolarHBondContact O-N 3.25Å; L397-I399 VanDerWaalsContact C-N 3.3Å; L397-I399 PolarHBondContact O-N 3.46Å; L397-R400 PolarHBondContact O-N 3.37Å |
| 398 | N | 53.8 | Low | 53.1 | Low | 128 Ų | 128 | 127.2 Ų | 127.2 | 68% | 0.684 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -70.4 | -23.2 | -174.4 | -123.3 | -18.4 | 0 | 0 | 0 | 113.8 | ||
| 399 | I | 56.1 | Low | 52.9 | Low | 105 Ų | 105 | 128.2 Ų | 128.2 | 54% | 0.538 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -85.5 | -25.7 | 179.7 | -62.1 | 171.6 | 0 | 0 | 0 | 112 | L395 L397 | L395-I399 WeakPolarHBondContact O-CG1 3.49Å; L397-I399 VanDerWaalsContact C-N 3.3Å; L397-I399 PolarHBondContact O-N 3.46Å |
| 400 | R | 55.5 | Low | 53 | Low | 160 Ų | 160 | 130 Ų | 130 | 60% | 0.604 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -72.8 | -47.1 | 175.3 | -87 | -172.6 | -173.4 | 75.8 | 2.3 | 112.5 | E396 L397 A402 L403 | E396-R400 PolarHBondContact O-NH1 3.38Å; E396-R400 IonicContact OE2-CZ 3.45Å; E396-R400 IonicContact OE2-NH1 2.7Å; E396-R400 PolarHBondContact OE2-NH1 3.27Å; E396-R400 IonicContact OE2-NH2 3.27Å; E396-R400 PolarHBondContact OE2-NH2 2.7Å; L397-R400 PolarHBondContact O-N 3.37Å; R400-A402 VanDerWaalsContact C-N 3.29Å; R400-A402 PolarHBondContact O-N 3.23Å; R400-L403 PolarHBondContact O-N 3.31Å |
| 401 | D | 57 | Low | 53.2 | Low | 117 Ų | 117 | 134.1 Ų | 134.1 | 63% | 0.626 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -67.7 | -30.1 | -176.8 | -78.2 | -3 | 0 | 0 | 0 | 112.4 | L403 | D401-L403 PolarHBondContact O-N 3.25Å |
| 402 | A | 54.2 | Low | 53.5 | Low | 80 Ų | 80 | 135.4 Ų | 135.4 | 66% | 0.661 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -3.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R400 | R400-A402 VanDerWaalsContact C-N 3.29Å; R400-A402 PolarHBondContact O-N 3.23Å |
| 403 | L | 50.7 | Low | 53.5 | Low | 148 Ų | 148 | 131.8 Ų | 131.8 | 78% | 0.775 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | 10.3 | -180 | -82.3 | 168.9 | 0 | 0 | 0 | 113.7 | R400 D401 | R400-L403 PolarHBondContact O-N 3.31Å; D401-L403 PolarHBondContact O-N 3.25Å |
| 404 | S | 55.7 | Low | 53.4 | Low | 95 Ų | 95 | 128.7 Ų | 128.7 | 66% | 0.664 | 68% | 0.684 | S | S | * | * | trans | -123.2 | 21.7 | -179.6 | 79.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 405 | Q | 42.7 | Very low | 53.4 | Low | 260 Ų | 260 | 132.6 Ų | 132.6 | 100% | 1.215 | 69% | 0.693 | S | S | * | * | trans | -128 | 0 | 166.6 | -76.5 | -167.9 | -5.6 | 0 | 0 | 111.2 |
Retrieved 405 of 405 residues in 237.3 ms
(Link to these results)