| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 28.6 | Very low | 33.4 | Very low | 236 Ų | 236 | 124.1 Ų | 124.1 | 100% | 1.163 | 82% | 0.816 | S | S | * | * | 0 | 145.2 | 0 | -77.6 | -66.7 | 179.3 | 0 | 0 | 108.5 | |||||
| 2 | P | 43.1 | Very low | 33.8 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | cis | -119.8 | 169.8 | -21.6 | 20 | 3.8 | 0 | 0 | 0 | 109.5 | ||||
| 3 | G | 30.8 | Very low | 33.9 | Very low | 68 Ų | 68 | 127.3 Ų | 127.3 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | cis | 112.8 | 102.6 | 30.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 4 | V | 37.3 | Very low | 34.2 | Very low | 150 Ų | 150 | 128 Ų | 128 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -125.6 | 113.7 | 163.1 | -177.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 5 | S | 32.8 | Very low | 34.9 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -68.8 | 123.9 | -171.9 | -48.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 6 | G | 33.3 | Very low | 35 | Very low | 75 Ų | 75 | 124.4 Ų | 124.4 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | -79.2 | 128 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | S8 | G6-S8 PolarHBondContact O-N 3.24Š| ||
| 7 | V | 34.4 | Very low | 35.3 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | trans | -66.6 | 113.1 | 173.8 | 173 | 0 | 0 | 0 | 0 | 108.9 | V9 | V7-V9 PolarHBondContact O-N 3.42Š| ||
| 8 | S | 29.8 | Very low | 35.8 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | trans | -75.3 | 104 | 171.5 | 57.9 | 0 | 0 | 0 | 0 | 109.9 | G6 S10 | G6-S8 PolarHBondContact O-N 3.24Å; S8-S10 PolarHBondContact O-N 3.38Å | ||
| 9 | V | 30.9 | Very low | 36 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 72% | 0.715 | 74% | 0.736 | S | S | * | * | trans | -78.1 | 113.6 | 163.8 | 176.6 | 0 | 0 | 0 | 0 | 107.3 | V7 V11 | V7-V9 PolarHBondContact O-N 3.42Å; V9-V11 PolarHBondContact O-N 2.86Å | ||
| 10 | S | 32.3 | Very low | 36 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | trans | -67.6 | 99 | 173.7 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | S8 R12 | S8-S10 PolarHBondContact O-N 3.38Å; S10-R12 VanDerWaalsContact C-N 3.33Å; S10-R12 PolarHBondContact O-N 3.04Å; S10-R12 VanDerWaalsContact O-N 3.16Å | ||
| 11 | V | 34.3 | Very low | 36.1 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 76% | 0.758 | 73% | 0.734 | S | S | * | * | trans | -79.3 | 89.7 | 167.2 | -176.4 | 0 | 0 | 0 | 0 | 106.4 | V9 S13 | V9-V11 PolarHBondContact O-N 2.86Å; V11-S13 PolarHBondContact O-N 2.65Å | ||
| 12 | R | 37.5 | Very low | 36.4 | Very low | 225 Ų | 225 | 122.1 Ų | 122.1 | 85% | 0.849 | 70% | 0.7 | S | S | * | * | trans | -60.2 | 126 | 164.7 | -121.7 | 179.9 | -159.8 | 131 | 3.4 | 107.6 | S10 L14 | S10-R12 VanDerWaalsContact C-N 3.33Å; S10-R12 PolarHBondContact O-N 3.04Å; S10-R12 VanDerWaalsContact O-N 3.16Å; R12-L14 PolarHBondContact O-N 3.42Å | ||
| 13 | S | 35.8 | Very low | 36 | Very low | 65 Ų | 65 | 119.9 Ų | 119.9 | 46% | 0.455 | 69% | 0.688 | S | S | . | * | trans | -67 | 117.7 | -165.7 | -154.8 | 0 | 0 | 0 | 0 | 112 | V11 S15 E16 | V11-S13 PolarHBondContact O-N 2.65Å; S13-S15 WeakPolarHBondContact CB-OG 3.13Å; S13-S15 PolarHBondContact O-N 2.91Å; S13-S15 VanDerWaalsContact O-N 3.08Å; S13-S15 WeakPolarHBondContact OG-CB 3.43Å; S13-S15 PolarHBondContact OG-OG 3.5Å; S13-E16 PolarHBondContact O-N 3.12Å | ||
| 14 | L | 38.4 | Very low | 36.4 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 72% | 0.717 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -10.7 | 166.6 | -82.6 | 159 | 0 | 0 | 0 | 112.7 | R12 E16 E18 | R12-L14 PolarHBondContact O-N 3.42Å; L14-E16 VanDerWaalsContact C-N 3.34Å; L14-E16 PolarHBondContact O-N 3.5Å; L14-E18 PolarHBondContact O-N 3.4Å |
| 15 | S | 44 | Very low | 36.5 | Very low | 61 Ų | 61 | 123.4 Ų | 123.4 | 43% | 0.427 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -70.8 | -23.5 | 179.6 | 69.2 | 0 | 0 | 0 | 0 | 114.3 | S13 K19 | S13-S15 WeakPolarHBondContact CB-OG 3.13Å; S13-S15 PolarHBondContact O-N 2.91Å; S13-S15 VanDerWaalsContact O-N 3.08Å; S13-S15 WeakPolarHBondContact OG-CB 3.43Å; S13-S15 PolarHBondContact OG-OG 3.5Å; S15-K19 WeakPolarHBondContact O-CB 3.33Å; S15-K19 PolarHBondContact O-N 3.37Å |
| 16 | E | 36.4 | Very low | 36.8 | Very low | 137 Ų | 137 | 122.1 Ų | 122.1 | 64% | 0.64 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -81 | -33.9 | -175.5 | -70.2 | -177.8 | 149.1 | 0 | 0 | 112.2 | S13 L14 | S13-E16 PolarHBondContact O-N 3.12Å; L14-E16 VanDerWaalsContact C-N 3.34Å; L14-E16 PolarHBondContact O-N 3.5Å |
| 17 | E | 40.1 | Very low | 37.1 | Very low | 146 Ų | 146 | 128.6 Ų | 128.6 | 68% | 0.682 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -74.6 | -34.9 | 172.8 | -77.3 | -171.5 | 140.1 | 0 | 0 | 112.2 | Y20 L21 | E17-Y20 PolarHBondContact O-N 3.01Å; E17-L21 PolarHBondContact O-N 3.06Å |
| 18 | E | 44 | Very low | 37.3 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 51% | 0.514 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -68.6 | -36 | 175.5 | -76.1 | -167.8 | 135.7 | 0 | 0 | 112.6 | L14 Y20 L21 S22 | L14-E18 PolarHBondContact O-N 3.4Å; E18-Y20 VanDerWaalsContact C-N 3.34Å; E18-Y20 PolarHBondContact O-N 3.36Å; E18-L21 PolarHBondContact O-N 2.84Å; E18-S22 WeakPolarHBondContact O-CB 3.18Å; E18-S22 PolarHBondContact O-N 3.18Å |
| 19 | K | 39.7 | Very low | 37.8 | Very low | 166 Ų | 166 | 128.4 Ų | 128.4 | 72% | 0.722 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.1 | -38.5 | 176 | -113.1 | 179.9 | 177.4 | -178.7 | 0 | 112.6 | S15 S23 | S15-K19 WeakPolarHBondContact O-CB 3.33Å; S15-K19 PolarHBondContact O-N 3.37Å; K19-S23 WeakPolarHBondContact O-CB 3.31Å; K19-S23 PolarHBondContact O-N 2.93Å; K19-S23 VanDerWaalsContact O-N 3.14Å |
| 20 | Y | 35.5 | Very low | 38 | Very low | 200 Ų | 200 | 130.7 Ų | 130.7 | 78% | 0.784 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.1 | -31.8 | 179.5 | -103 | -89.9 | 0 | 0 | 0 | 113.2 | E17 E18 | E17-Y20 PolarHBondContact O-N 3.01Å; E18-Y20 VanDerWaalsContact C-N 3.34Å; E18-Y20 PolarHBondContact O-N 3.36Å |
| 21 | L | 38.4 | Very low | 38.3 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 64% | 0.644 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -78.8 | -36.7 | 175.9 | -80.5 | 162.7 | 0 | 0 | 0 | 112.6 | E17 E18 R24 M25 | E17-L21 PolarHBondContact O-N 3.06Å; E18-L21 PolarHBondContact O-N 2.84Å; L21-R24 PolarHBondContact O-N 3Å; L21-M25 PolarHBondContact O-N 3.43Å |
| 22 | S | 36.4 | Very low | 38.4 | Very low | 65 Ų | 65 | 127.5 Ų | 127.5 | 46% | 0.455 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -67 | -46.3 | 176.7 | -154.1 | 0 | 0 | 0 | 0 | 111.6 | E18 R24 M25 D26 | E18-S22 WeakPolarHBondContact O-CB 3.18Å; E18-S22 PolarHBondContact O-N 3.18Å; S22-R24 PolarHBondContact O-N 3.37Å; S22-R24 VanDerWaalsContact O-N 3.12Å; S22-M25 PolarHBondContact O-N 2.99Å; S22-D26 PolarHBondContact O-N 3.33Å |
| 23 | S | 34.6 | Very low | 38.2 | Very low | 77 Ų | 77 | 125.4 Ų | 125.4 | 54% | 0.538 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -61.1 | -26.3 | 178.8 | -175 | 0 | 0 | 0 | 0 | 113.4 | K19 R27 | K19-S23 WeakPolarHBondContact O-CB 3.31Å; K19-S23 PolarHBondContact O-N 2.93Å; K19-S23 VanDerWaalsContact O-N 3.14Å; S23-R27 PolarHBondContact O-N 3.31Å |
| 24 | R | 37.6 | Very low | 38.2 | Very low | 200 Ų | 200 | 129.1 Ų | 129.1 | 76% | 0.755 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -81.2 | -26.9 | 177 | -160.8 | 175.4 | -173.6 | 160.4 | 2.8 | 113.4 | L21 S22 | L21-R24 PolarHBondContact O-N 3Å; S22-R24 PolarHBondContact O-N 3.37Å; S22-R24 VanDerWaalsContact O-N 3.12Å |
| 25 | M | 40.8 | Very low | 38.2 | Very low | 91 Ų | 91 | 126 Ų | 126 | 45% | 0.448 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -80.3 | -37.2 | 173.9 | -88.6 | 177.7 | 74.6 | 0 | 0 | 111.8 | L21 S22 N28 T29 | L21-M25 PolarHBondContact O-N 3.43Å; S22-M25 PolarHBondContact O-N 2.99Å; M25-N28 PolarHBondContact O-N 3.13Å; M25-T29 PolarHBondContact O-N 3.17Å; M25-T29 PolarHBondContact O-OG1 3.4Å |
| 26 | D | 37.9 | Very low | 37.8 | Very low | 88 Ų | 88 | 131.2 Ų | 131.2 | 47% | 0.471 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -66.3 | -41.5 | -179.2 | -65.1 | -32.1 | 0 | 0 | 0 | 111.5 | S22 N28 T29 E30 | S22-D26 PolarHBondContact O-N 3.33Å; D26-N28 PolarHBondContact O-N 2.93Å; D26-N28 VanDerWaalsContact O-N 3.11Å; D26-T29 PolarHBondContact O-N 2.88Å; D26-E30 PolarHBondContact O-N 3.21Å |
| 27 | R | 41.4 | Very low | 37.8 | Very low | 211 Ų | 211 | 130.3 Ų | 130.3 | 80% | 0.796 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -63.2 | -20 | 177.9 | -116.2 | 174.4 | 107 | 167.1 | 7.2 | 115.4 | S23 | S23-R27 PolarHBondContact O-N 3.31Å |
| 28 | N | 36.7 | Very low | 37.6 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -96 | -9.2 | 177.9 | -101.7 | 25.5 | 0 | 0 | 0 | 113 | M25 D26 | M25-N28 PolarHBondContact O-N 3.13Å; D26-N28 PolarHBondContact O-N 2.93Å; D26-N28 VanDerWaalsContact O-N 3.11Å |
| 29 | T | 41.6 | Very low | 37 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 59% | 0.589 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -99.3 | -22 | -174.4 | -48.4 | 0 | 0 | 0 | 0 | 112 | M25 D26 A31 | M25-T29 PolarHBondContact O-N 3.17Å; M25-T29 PolarHBondContact O-OG1 3.4Å; D26-T29 PolarHBondContact O-N 2.88Å; T29-A31 PolarHBondContact O-N 2.89Å |
| 30 | E | 34.3 | Very low | 37 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 77% | 0.771 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -9.3 | -175.9 | -69.3 | -179.5 | 158.5 | 0 | 0 | 115.1 | D26 | D26-E30 PolarHBondContact O-N 3.21Š|
| 31 | A | 39.4 | Very low | 37 | Very low | 100 Ų | 100 | 135 Ų | 135 | 83% | 0.826 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 10.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | T29 | T29-A31 PolarHBondContact O-N 2.89Š|
| 32 | G | 36.9 | Very low | 37 | Very low | 66 Ų | 66 | 140.6 Ų | 140.6 | 68% | 0.68 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -146.7 | 28.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 33 | F | 32.1 | Very low | 37.3 | Very low | 182 Ų | 182 | 141 Ų | 141 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | trans | -127.3 | 65 | -173.7 | -149.6 | -91.6 | 0 | 0 | 0 | 113.3 | ||||
| 34 | L | 36.7 | Very low | 37.1 | Very low | 143 Ų | 143 | 143.3 Ų | 143.3 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | -141.3 | 109.9 | 156.4 | -74.6 | -179.7 | 0 | 0 | 0 | 111 | ||||
| 35 | G | 38.3 | Very low | 37.1 | Very low | 70 Ų | 70 | 138.3 Ų | 138.3 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | 97.3 | 110.1 | 154.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 36 | L | 34.6 | Very low | 36.7 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | trans | -171.7 | 136.6 | 133.6 | -93.4 | 152 | 0 | 0 | 0 | 109.6 | ||||
| 37 | P | 38 | Very low | 36.6 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -78.6 | 139.7 | -177.9 | 32 | -30.9 | 0 | 0 | 0 | 111.3 | S39 | P37-S39 PolarHBondContact O-N 3.42Š| ||
| 38 | L | 34.5 | Very low | 36.6 | Very low | 179 Ų | 179 | 141.3 Ų | 141.3 | 94% | 0.937 | 80% | 0.8 | S | S | * | * | trans | -69.2 | 108.5 | 172.9 | -74.5 | 158.2 | 0 | 0 | 0 | 110.1 | ||||
| 39 | S | 31.5 | Very low | 36.7 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -93.8 | 107.1 | 160.4 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | P37 R41 | P37-S39 PolarHBondContact O-N 3.42Å; S39-R41 PolarHBondContact O-N 3.18Å | ||
| 40 | M | 39.8 | Very low | 36.9 | Very low | 187 Ų | 187 | 144 Ų | 144 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -62.6 | 115 | 166.5 | -78.8 | -175.7 | -76.1 | 0 | 0 | 109 | ||||
| 41 | R | 35.4 | Very low | 37.1 | Very low | 241 Ų | 241 | 143 Ų | 143 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | -121.6 | 105.8 | 160.1 | -147.7 | 178.1 | -174.8 | -148.9 | 1.2 | 112 | S39 | S39-R41 PolarHBondContact O-N 3.18Š| ||
| 42 | R | 39 | Very low | 37.4 | Very low | 239 Ų | 239 | 145.1 Ų | 145.1 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -46.6 | 142.1 | 162.5 | -156.7 | 174 | -158.6 | 163.8 | 3.5 | 110.6 | ||||
| 43 | G | 42.3 | Very low | 37.4 | Very low | 75 Ų | 75 | 149.6 Ų | 149.6 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | -65.3 | 170.3 | -160.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 44 | S | 29.3 | Very low | 38.1 | Very low | 124 Ų | 124 | 148.5 Ų | 148.5 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | -158.2 | 147.1 | 154.3 | -166.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 45 | S | 37.6 | Very low | 38.2 | Very low | 96 Ų | 96 | 149.3 Ų | 149.3 | 67% | 0.671 | 82% | 0.821 | S | S | * | * | trans | -55.4 | 139.5 | -176 | -171.2 | 0 | 0 | 0 | 0 | 114.5 | N47 | S45-N47 PolarHBondContact O-N 3Š| ||
| 46 | D | 34.3 | Very low | 38.6 | Very low | 149 Ų | 149 | 149.1 Ų | 149.1 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -69.2 | 119.7 | 165 | -63.7 | -52.2 | 0 | 0 | 0 | 109.6 | ||||
| 47 | N | 34.3 | Very low | 39.1 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -111 | 113.8 | 157.9 | -78.5 | -24.2 | 0 | 0 | 0 | 107.4 | S45 L49 | S45-N47 PolarHBondContact O-N 3Å; N47-L49 PolarHBondContact O-N 3.42Å | ||
| 48 | N | 42.9 | Very low | 39.8 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -71.9 | 117.5 | 167.5 | -84.9 | -91.3 | 0 | 0 | 0 | 108.4 | ||||
| 49 | L | 38.6 | Very low | 40.6 | Very low | 157 Ų | 157 | 145 Ų | 145 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -131.5 | 100.6 | 153.8 | -79.5 | 172.4 | 0 | 0 | 0 | 107.8 | N47 | N47-L49 PolarHBondContact O-N 3.42Š| ||
| 50 | D | 45.1 | Very low | 41.4 | Very low | 143 Ų | 143 | 146.6 Ų | 146.6 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | -65.7 | 117.6 | 161.6 | -168.9 | 31.3 | 0 | 0 | 0 | 107.7 | ||||
| 51 | L | 38.1 | Very low | 42.1 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | -131.3 | 97.9 | 164.3 | -113.5 | 97.3 | 0 | 0 | 0 | 108 | L53 | L51-L53 PolarHBondContact O-N 2.84Š| ||
| 52 | D | 45.5 | Very low | 43.1 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | trans | -53 | 110.2 | 161.2 | -105.5 | -31 | 0 | 0 | 0 | 110 | ||||
| 53 | L | 37.7 | Very low | 44 | Very low | 159 Ų | 159 | 128.2 Ų | 128.2 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | trans | -146.3 | 99.9 | 154.8 | -92 | 170.5 | 0 | 0 | 0 | 108.7 | L51 D55 | L51-L53 PolarHBondContact O-N 2.84Å; L53-D55 PolarHBondContact O-N 3.5Å | ||
| 54 | N | 46.8 | Very low | 44.7 | Very low | 160 Ų | 160 | 128.3 Ų | 128.3 | 86% | 0.856 | 72% | 0.719 | S | S | * | * | trans | -73.7 | 108.4 | 170.1 | 171.9 | 56.7 | 0 | 0 | 0 | 109.8 | ||||
| 55 | D | 38 | Very low | 46.1 | Very low | 159 Ų | 159 | 128.1 Ų | 128.1 | 85% | 0.85 | 70% | 0.704 | S | S | * | * | trans | -150.5 | 108.2 | 151.1 | -163.2 | 19.4 | 0 | 0 | 0 | 112.3 | L53 | L53-D55 PolarHBondContact O-N 3.5Š| ||
| 56 | G | 46.8 | Very low | 47.2 | Very low | 67 Ų | 67 | 127.5 Ų | 127.5 | 69% | 0.691 | 70% | 0.696 | S | S | * | * | trans | 43.2 | 73.6 | 140.1 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 57 | S | 45.6 | Very low | 48.5 | Very low | 56 Ų | 56 | 126.2 Ų | 126.2 | 39% | 0.392 | 69% | 0.685 | S | S | . | * | trans | -158.5 | 115.6 | 138.1 | -169.2 | 0 | 0 | 0 | 0 | 112.4 | R59 Q60 | S57-R59 PolarHBondContact O-N 3.16Å; S57-Q60 PolarHBondContact O-N 2.96Å | ||
| 58 | P | 53.4 | Low | 49.9 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -58.1 | -15.3 | 178.8 | -21.8 | 30.6 | 0 | 0 | 0 | 114.3 | ||
| 59 | R | 49.4 | Very low | 51.1 | Low | 208 Ų | 208 | 123.8 Ų | 123.8 | 79% | 0.785 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -87.2 | -27.3 | -173.2 | -151.2 | 172.3 | 175.8 | 163.2 | -2.3 | 112.9 | S57 V63 | S57-R59 PolarHBondContact O-N 3.16Å; R59-V63 WeakPolarHBondContact O-CG2 3.43Å; R59-V63 PolarHBondContact O-N 3.48Å |
| 60 | Q | 48.8 | Very low | 52.7 | Low | 146 Ų | 146 | 124.3 Ų | 124.3 | 68% | 0.682 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -88 | -31.4 | -175.4 | -154.2 | 165.6 | 20.6 | 0 | 0 | 112.7 | S57 S64 | S57-Q60 PolarHBondContact O-N 2.96Å; Q60-S64 PolarHBondContact O-N 3.33Å; Q60-S64 PolarHBondContact O-OG 2.84Å |
| 61 | V | 55.8 | Low | 54.2 | Low | 100 Ų | 100 | 121.2 Ų | 121.2 | 61% | 0.606 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -64.5 | -44.8 | 169.3 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | V63 S64 E65 | V61-V63 PolarHBondContact O-N 2.87Å; V61-S64 PolarHBondContact O-N 3.08Å; V61-E65 WeakPolarHBondContact O-CB 3.47Å; V61-E65 PolarHBondContact O-N 3.49Å |
| 62 | L | 56.2 | Low | 56.2 | Low | 108 Ų | 108 | 117.7 Ų | 117.7 | 57% | 0.565 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.5 | -40 | 179.8 | -148 | 97.6 | 0 | 0 | 0 | 112.3 | E65 V66 | L62-E65 PolarHBondContact O-N 3.37Å; L62-V66 WeakPolarHBondContact O-CB 3.22Å; L62-V66 WeakPolarHBondContact O-CG2 3.45Å; L62-V66 PolarHBondContact O-N 2.9Å |
| 63 | V | 56.6 | Low | 58.1 | Low | 74 Ų | 74 | 112.6 Ų | 112.6 | 45% | 0.448 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.2 | -42.2 | 178.7 | 172.3 | 0 | 0 | 0 | 0 | 111 | R59 V61 V66 H67 | R59-V63 WeakPolarHBondContact O-CG2 3.43Å; R59-V63 PolarHBondContact O-N 3.48Å; V61-V63 PolarHBondContact O-N 2.87Å; V63-V66 PolarHBondContact O-N 3.21Å; V63-H67 WeakPolarHBondContact O-CB 3.47Å; V63-H67 PolarHBondContact O-CD2 3.07Å; V63-H67 PolarHBondContact O-N 3.4Å |
| 64 | S | 58.6 | Low | 60.3 | Low | 77 Ų | 77 | 109 Ų | 109 | 54% | 0.538 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.9 | -38.1 | 176 | -63.2 | 0 | 0 | 0 | 0 | 112.5 | Q60 V61 R68 | Q60-S64 PolarHBondContact O-N 3.33Å; Q60-S64 PolarHBondContact O-OG 2.84Å; V61-S64 PolarHBondContact O-N 3.08Å; S64-R68 WeakPolarHBondContact O-CB 3.04Å; S64-R68 PolarHBondContact O-N 3.03Å |
| 65 | E | 58.2 | Low | 62.3 | Low | 119 Ų | 119 | 103.3 Ų | 103.3 | 56% | 0.556 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.8 | -39.5 | 176.1 | -170.5 | 172.4 | -172.6 | 0 | 0 | 112.2 | V61 L62 R68 S69 | V61-E65 WeakPolarHBondContact O-CB 3.47Å; V61-E65 PolarHBondContact O-N 3.49Å; L62-E65 PolarHBondContact O-N 3.37Å; E65-R68 PolarHBondContact O-N 3.34Å; E65-S69 VanDerWaalsContact O-CB 3.28Å; E65-S69 WeakPolarHBondContact O-CB 3.43Å; E65-S69 PolarHBondContact O-N 2.89Å; E65-S69 PolarHBondContact O-OG 2.98Å |
| 66 | V | 60.8 | Low | 64.8 | Low | 83 Ų | 83 | 96.4 Ų | 96.4 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67 | -42.8 | 174.7 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | L62 V63 S69 R70 | L62-V66 WeakPolarHBondContact O-CB 3.22Å; L62-V66 WeakPolarHBondContact O-CG2 3.45Å; L62-V66 PolarHBondContact O-N 2.9Å; V63-V66 PolarHBondContact O-N 3.21Å; V66-S69 PolarHBondContact O-N 2.88Å; V66-R70 WeakPolarHBondContact O-CB 3.46Å; V66-R70 PolarHBondContact O-N 3.43Å |
| 67 | H | 61.6 | Low | 67 | Low | 123 Ų | 123 | 98.1 Ų | 98.1 | 57% | 0.569 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.3 | -39.6 | 176.1 | -85.5 | -75.5 | 0 | 0 | 0 | 112.5 | V63 R70 S71 | V63-H67 WeakPolarHBondContact O-CB 3.47Å; V63-H67 PolarHBondContact O-CD2 3.07Å; V63-H67 PolarHBondContact O-N 3.4Å; H67-R70 PolarHBondContact O-N 3.27Å; H67-S71 PolarHBondContact O-N 3.1Å; H67-S71 VanDerWaalsContact O-N 3.11Å |
| 68 | R | 63.3 | Low | 69.3 | Low | 208 Ų | 208 | 102.2 Ų | 102.2 | 79% | 0.785 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67 | -37.7 | 174.9 | -166.5 | 178.7 | -178.5 | 89.9 | -1.9 | 112 | S64 E65 C72 | S64-R68 WeakPolarHBondContact O-CB 3.04Å; S64-R68 PolarHBondContact O-N 3.03Å; E65-R68 PolarHBondContact O-N 3.34Å; R68-C72 WeakPolarHBondContact O-CB 3.37Å; R68-C72 PolarHBondContact O-N 3.42Å; R68-C72 VanDerWaalsContact O-N 3.07Å |
| 69 | S | 68.3 | Low | 71.3 | Confident | 44 Ų | 44 | 101.3 Ų | 101.3 | 31% | 0.308 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.3 | -39.8 | 176.2 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | E65 V66 C72 L73 | E65-S69 VanDerWaalsContact O-CB 3.28Å; E65-S69 WeakPolarHBondContact O-CB 3.43Å; E65-S69 PolarHBondContact O-N 2.89Å; E65-S69 PolarHBondContact O-OG 2.98Å; V66-S69 PolarHBondContact O-N 2.88Å; S69-C72 WeakPolarHBondContact O-CB 3.36Å; S69-C72 PolarHBondContact O-N 2.89Å; S69-L73 PolarHBondContact O-N 3.49Å; S69-L73 VanDerWaalsContact O-N 3.07Å |
| 70 | R | 73 | Confident | 73.5 | Confident | 168 Ų | 168 | 92 Ų | 92 | 63% | 0.634 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.4 | -46.7 | 175.6 | -167.8 | 169.9 | -178.4 | 178.1 | 0.8 | 112.2 | V66 H67 C72 L73 D74 | V66-R70 WeakPolarHBondContact O-CB 3.46Å; V66-R70 PolarHBondContact O-N 3.43Å; H67-R70 PolarHBondContact O-N 3.27Å; R70-C72 VanDerWaalsContact C-N 3.28Å; R70-C72 PolarHBondContact O-N 3.47Å; R70-L73 PolarHBondContact O-N 3.23Å; R70-D74 VanDerWaalsContact O-CG 3.27Å; R70-D74 PolarHBondContact O-N 3.42Å |
| 71 | S | 76.2 | Confident | 75.7 | Confident | 78 Ų | 78 | 90.7 Ų | 90.7 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.9 | -36.3 | 174.2 | 173 | 0 | 0 | 0 | 0 | 113 | H67 S75 | H67-S71 PolarHBondContact O-N 3.1Å; H67-S71 VanDerWaalsContact O-N 3.11Å; S71-S75 WeakPolarHBondContact O-CB 3.19Å; S71-S75 PolarHBondContact O-N 3.18Å |
| 72 | C | 79.2 | Confident | 77.6 | Confident | 69 Ų | 69 | 92.1 Ų | 92.1 | 47% | 0.466 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 175.9 | -173.2 | 0 | 0 | 0 | 0 | 112 | R68 S69 R70 S75 L76 | R68-C72 WeakPolarHBondContact O-CB 3.37Å; R68-C72 PolarHBondContact O-N 3.42Å; R68-C72 VanDerWaalsContact O-N 3.07Å; S69-C72 WeakPolarHBondContact O-CB 3.36Å; S69-C72 PolarHBondContact O-N 2.89Å; R70-C72 VanDerWaalsContact C-N 3.28Å; R70-C72 PolarHBondContact O-N 3.47Å; C72-S75 PolarHBondContact O-N 2.95Å; C72-S75 PolarHBondContact O-OG 3.28Å; C72-L76 PolarHBondContact O-N 3.02Å; C72-L76 VanDerWaalsContact O-N 3.08Å |
| 73 | L | 85 | Confident | 79.5 | Confident | 39 Ų | 39 | 87.3 Ų | 87.3 | 20% | 0.204 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 176.1 | -74.8 | 175.2 | 0 | 0 | 0 | 111.9 | S69 R70 S75 L76 Q77 | S69-L73 PolarHBondContact O-N 3.49Å; S69-L73 VanDerWaalsContact O-N 3.07Å; R70-L73 PolarHBondContact O-N 3.23Å; L73-S75 VanDerWaalsContact C-N 3.28Å; L73-S75 PolarHBondContact O-N 3.33Å; L73-L76 WeakPolarHBondContact O-CA 3.41Å; L73-L76 WeakPolarHBondContact O-CB 3.49Å; L73-L76 PolarHBondContact O-N 2.84Å; L73-Q77 PolarHBondContact O-N 2.94Å |
| 74 | D | 85.2 | Confident | 81.3 | Confident | 84 Ų | 84 | 86 Ų | 86 | 45% | 0.449 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.7 | -41.6 | 177.6 | -61.9 | -21.8 | 0 | 0 | 0 | 110.7 | R70 L76 Q77 Q78 | R70-D74 VanDerWaalsContact O-CG 3.27Å; R70-D74 PolarHBondContact O-N 3.42Å; D74-L76 VanDerWaalsContact C-N 3.25Å; D74-L76 PolarHBondContact O-N 3.38Å; D74-Q77 PolarHBondContact O-N 2.84Å; D74-Q78 PolarHBondContact O-N 3.36Å |
| 75 | S | 88.7 | Confident | 83.1 | Confident | 41 Ų | 41 | 88.4 Ų | 88.4 | 29% | 0.287 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.5 | -31.1 | 175.8 | 87.9 | 0 | 0 | 0 | 0 | 113 | S71 C72 L73 K79 | S71-S75 WeakPolarHBondContact O-CB 3.19Å; S71-S75 PolarHBondContact O-N 3.18Å; C72-S75 PolarHBondContact O-N 2.95Å; C72-S75 PolarHBondContact O-OG 3.28Å; L73-S75 VanDerWaalsContact C-N 3.28Å; L73-S75 PolarHBondContact O-N 3.33Å; S75-K79 WeakPolarHBondContact O-CD 3.49Å; S75-K79 VanDerWaalsContact O-CG 3.26Å; S75-K79 WeakPolarHBondContact O-CG 3.48Å; S75-K79 PolarHBondContact O-N 2.87Å |
| 76 | L | 90.9 | Very high | 84.8 | Confident | 13 Ų | 13 | 87 Ų | 87 | 7% | 0.068 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -81.2 | -38.9 | -178.8 | -168.7 | 56.3 | 0 | 0 | 0 | 111 | C72 L73 D74 Q78 K79 I80 Y141 K144 M145 | C72-L76 PolarHBondContact O-N 3.02Å; C72-L76 VanDerWaalsContact O-N 3.08Å; L73-L76 WeakPolarHBondContact O-CA 3.41Å; L73-L76 WeakPolarHBondContact O-CB 3.49Å; L73-L76 PolarHBondContact O-N 2.84Å; D74-L76 VanDerWaalsContact C-N 3.25Å; D74-L76 PolarHBondContact O-N 3.38Å; L76-Q78 VanDerWaalsContact C-N 3.34Å; L76-K79 PolarHBondContact O-N 3.05Å; L76-I80 WeakPolarHBondContact O-CG1 3.26Å; L76-I80 PolarHBondContact O-N 3.25Å; L76-Y141 HydrophobicContact CD1-CD1 3.54Å; L76-Y141 HydrophobicContact CD1-CE1 4.3Å; L76-Y141 HydrophobicContact CD1-CG 3.85Å; L76-K144 HydrophobicContact CD2-CB 3.68Å; L76-M145 HydrophobicContact CB-CG 4.14Å; L76-M145 HydrophobicContact CD2-CB 4.13Å; L76-M145 HydrophobicContact CD2-CG 3.33Å; L76-M145 HydrophobicContact CG-CG 3.49Å; L76-M145 VanDerWaalsContact CG-CG 3.49Å; L76-M145 HydrophobicContact CG-SD 4.41Å |
| 77 | Q | 92.1 | Very high | 86.5 | Confident | 104 Ų | 104 | 83.7 Ų | 83.7 | 49% | 0.486 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.1 | -46 | 169.2 | -73.9 | -178 | -30.8 | 0 | 0 | 111.3 | L73 D74 K79 I80 L81 M145 | L73-Q77 PolarHBondContact O-N 2.94Å; D74-Q77 PolarHBondContact O-N 2.84Å; Q77-K79 VanDerWaalsContact C-N 3.32Å; Q77-K79 PolarHBondContact O-N 3.3Å; Q77-I80 WeakPolarHBondContact O-CB 3.3Å; Q77-I80 PolarHBondContact O-N 3.44Å; Q77-I80 VanDerWaalsContact O-N 3.15Å; Q77-L81 PolarHBondContact O-N 3.46Å; Q77-M145 HydrophobicContact CG-SD 3.64Å |
| 78 | Q | 95 | Very high | 88.2 | Confident | 142 Ų | 142 | 85.6 Ų | 85.6 | 66% | 0.664 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.1 | -39.1 | 176.9 | -166.7 | -178.7 | 18.6 | 0 | 0 | 112.3 | D74 L76 I80 L81 K82 | D74-Q78 PolarHBondContact O-N 3.36Å; L76-Q78 VanDerWaalsContact C-N 3.34Å; Q78-I80 VanDerWaalsContact C-N 3.35Å; Q78-L81 PolarHBondContact O-N 3.48Å; Q78-K82 WeakPolarHBondContact O-CB 3.47Å; Q78-K82 PolarHBondContact O-N 3.32Å |
| 79 | K | 94.4 | Very high | 89.8 | Confident | 99 Ų | 99 | 80.6 Ų | 80.6 | 43% | 0.43 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65 | -37.8 | 175 | -76 | 165.6 | -173.8 | 159.5 | 0 | 112.2 | S75 L76 Q77 V83 Y141 | S75-K79 WeakPolarHBondContact O-CD 3.49Å; S75-K79 VanDerWaalsContact O-CG 3.26Å; S75-K79 WeakPolarHBondContact O-CG 3.48Å; S75-K79 PolarHBondContact O-N 2.87Å; L76-K79 PolarHBondContact O-N 3.05Å; Q77-K79 VanDerWaalsContact C-N 3.32Å; Q77-K79 PolarHBondContact O-N 3.3Å; K79-V83 WeakPolarHBondContact O-CG2 3.47Å; K79-V83 PolarHBondContact O-N 2.86Å; K79-Y141 HydrophobicContact CB-CD2 4.01Å; K79-Y141 HydrophobicContact CB-CE2 3.77Å; K79-Y141 HydrophobicContact CD-CE1 4.4Å |
| 80 | I | 94.8 | Very high | 91 | Very high | 14 Ų | 14 | 80.8 Ų | 80.8 | 7% | 0.072 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.9 | -49.5 | 175.6 | -71.6 | 166.9 | 0 | 0 | 0 | 110.1 | L76 Q77 Q78 K82 V83 T84 Y141 M145 | L76-I80 WeakPolarHBondContact O-CG1 3.26Å; L76-I80 PolarHBondContact O-N 3.25Å; Q77-I80 WeakPolarHBondContact O-CB 3.3Å; Q77-I80 PolarHBondContact O-N 3.44Å; Q77-I80 VanDerWaalsContact O-N 3.15Å; Q78-I80 VanDerWaalsContact C-N 3.35Å; I80-K82 VanDerWaalsContact C-N 3.32Å; I80-K82 PolarHBondContact O-N 2.98Å; I80-V83 PolarHBondContact O-N 2.87Å; I80-T84 VanDerWaalsContact O-CB 3.31Å; I80-T84 WeakPolarHBondContact O-CB 3.34Å; I80-T84 PolarHBondContact O-N 3.42Å; I80-T84 PolarHBondContact O-OG1 3.04Å; I80-Y141 VanDerWaalsContact CG1-CB 3.47Å; I80-Y141 HydrophobicContact CG1-CD2 4.39Å; I80-Y141 HydrophobicContact CG1-CG 4.36Å; I80-M145 HydrophobicContact CD1-CE 3.28Å; I80-M145 HydrophobicContact CD1-CG 3.79Å; I80-M145 HydrophobicContact CD1-SD 3.42Å; I80-M145 WeakPolarHBondContact CD1-SD 3.44Å |
| 81 | L | 95.6 | Very high | 92 | Very high | 118 Ų | 118 | 76.2 Ų | 76.2 | 62% | 0.618 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -54.7 | -49.4 | 176.7 | -74.3 | 169.9 | 0 | 0 | 0 | 111.1 | Q77 Q78 V83 T84 E85 | Q77-L81 PolarHBondContact O-N 3.46Å; Q78-L81 PolarHBondContact O-N 3.48Å; L81-V83 PolarHBondContact O-N 3.48Å; L81-T84 PolarHBondContact O-N 3.19Å; L81-E85 WeakPolarHBondContact O-CB 3.35Å; L81-E85 PolarHBondContact O-N 2.89Å |
| 82 | K | 96 | Very high | 92.9 | Very high | 130 Ų | 130 | 74.6 Ų | 74.6 | 57% | 0.565 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.5 | -44.9 | 180 | -173.7 | 173.6 | -177.2 | 171.8 | 0 | 113.3 | Q78 I80 Q86 | Q78-K82 WeakPolarHBondContact O-CB 3.47Å; Q78-K82 PolarHBondContact O-N 3.32Å; I80-K82 VanDerWaalsContact C-N 3.32Å; I80-K82 PolarHBondContact O-N 2.98Å; K82-Q86 WeakPolarHBondContact O-CB 3.36Å; K82-Q86 WeakPolarHBondContact O-CG 3.32Å; K82-Q86 PolarHBondContact O-N 3.05Å |
| 83 | V | 95.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 73.5 Ų | 73.5 | 4% | 0.036 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.6 | -35 | 178.8 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | K79 I80 L81 Q86 L87 M134 K137 L138 Y141 | K79-V83 WeakPolarHBondContact O-CG2 3.47Å; K79-V83 PolarHBondContact O-N 2.86Å; I80-V83 PolarHBondContact O-N 2.87Å; L81-V83 PolarHBondContact O-N 3.48Å; V83-Q86 PolarHBondContact O-N 3.25Å; V83-L87 VanDerWaalsContact O-CB 3.28Å; V83-L87 WeakPolarHBondContact O-CB 3.36Å; V83-L87 PolarHBondContact O-N 3.23Å; V83-M134 HydrophobicContact CG1-CB 4.06Å; V83-M134 WeakPolarHBondContact CG1-O 3.48Å; V83-K137 HydrophobicContact CG2-CD 4.15Å; V83-K137 HydrophobicContact CG2-CG 4.45Å; V83-L138 HydrophobicContact CG1-CB 3.97Å; V83-L138 HydrophobicContact CG1-CD1 4.27Å; V83-Y141 HydrophobicContact CG2-CD2 4.39Å; V83-Y141 HydrophobicContact CG2-CE2 3.93Å |
| 84 | T | 95 | Very high | 94 | Very high | 48 Ų | 48 | 73.8 Ų | 73.8 | 29% | 0.294 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 176.3 | -54 | 0 | 0 | 0 | 0 | 111 | I80 L81 L87 K88 L138 | I80-T84 VanDerWaalsContact O-CB 3.31Å; I80-T84 WeakPolarHBondContact O-CB 3.34Å; I80-T84 PolarHBondContact O-N 3.42Å; I80-T84 PolarHBondContact O-OG1 3.04Å; L81-T84 PolarHBondContact O-N 3.19Å; T84-L87 WeakPolarHBondContact O-CB 3.35Å; T84-L87 PolarHBondContact O-N 3.18Å; T84-K88 PolarHBondContact O-N 2.99Å; T84-L138 WeakPolarHBondContact OG1-CD1 3.37Å |
| 85 | E | 96.6 | Very high | 94.5 | Very high | 127 Ų | 127 | 73.4 Ų | 73.4 | 59% | 0.593 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.3 | -46.1 | 176.2 | -171.6 | -175.3 | -178 | 0 | 0 | 111.6 | L81 L87 K88 I89 | L81-E85 WeakPolarHBondContact O-CB 3.35Å; L81-E85 PolarHBondContact O-N 2.89Å; E85-L87 PolarHBondContact O-N 3.49Å; E85-K88 WeakPolarHBondContact O-CB 3.26Å; E85-K88 PolarHBondContact O-N 3.42Å; E85-I89 HydrophobicContact CG-CD1 4.15Å; E85-I89 WeakPolarHBondContact O-CG1 3.48Å; E85-I89 PolarHBondContact O-N 3.34Å |
| 86 | Q | 94.1 | Very high | 94.8 | Very high | 89 Ų | 89 | 78.1 Ų | 78.1 | 42% | 0.416 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.8 | -36.9 | 175 | -76.2 | -177.1 | -9.9 | 0 | 0 | 112.4 | K82 V83 I89 E90 M134 | K82-Q86 WeakPolarHBondContact O-CB 3.36Å; K82-Q86 WeakPolarHBondContact O-CG 3.32Å; K82-Q86 PolarHBondContact O-N 3.05Å; V83-Q86 PolarHBondContact O-N 3.25Å; Q86-I89 PolarHBondContact O-N 3.19Å; Q86-E90 WeakPolarHBondContact O-CB 3.35Å; Q86-E90 PolarHBondContact O-N 2.95Å; Q86-M134 HydrophobicContact CB-SD 3.7Å |
| 87 | L | 95.9 | Very high | 95 | Very high | 13 Ų | 13 | 78.5 Ų | 78.5 | 7% | 0.068 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.3 | -36.2 | 176 | -172.2 | 143.6 | 0 | 0 | 0 | 112.3 | V83 T84 E85 K91 M134 Q135 | V83-L87 VanDerWaalsContact O-CB 3.28Å; V83-L87 WeakPolarHBondContact O-CB 3.36Å; V83-L87 PolarHBondContact O-N 3.23Å; T84-L87 WeakPolarHBondContact O-CB 3.35Å; T84-L87 PolarHBondContact O-N 3.18Å; E85-L87 PolarHBondContact O-N 3.49Å; L87-K91 HydrophobicContact CD2-CD 3.88Å; L87-K91 HydrophobicContact CD2-CG 4.49Å; L87-K91 WeakPolarHBondContact O-CB 3.5Å; L87-K91 VanDerWaalsContact O-CG 3.29Å; L87-K91 WeakPolarHBondContact O-CG 3.33Å; L87-K91 PolarHBondContact O-N 2.89Å; L87-M134 HydrophobicContact CB-CE 4.12Å; L87-M134 HydrophobicContact CD1-CB 4.19Å; L87-M134 HydrophobicContact CG-CE 4.48Å; L87-Q135 HydrophobicContact CD1-CB 4.47Å; L87-Q135 HydrophobicContact CD1-CG 3.51Å |
| 88 | K | 97 | Very high | 95.2 | Very high | 163 Ų | 163 | 75.5 Ų | 75.5 | 71% | 0.709 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.2 | -46.7 | 172.6 | -171.5 | 178.2 | 179.7 | 178.9 | 0 | 111.2 | T84 E85 K91 A92 | T84-K88 PolarHBondContact O-N 2.99Å; E85-K88 WeakPolarHBondContact O-CB 3.26Å; E85-K88 PolarHBondContact O-N 3.42Å; K88-K91 PolarHBondContact O-N 3.2Å; K88-A92 WeakPolarHBondContact O-CB 3.36Å; K88-A92 PolarHBondContact O-N 3.42Å |
| 89 | I | 96.1 | Very high | 95.2 | Very high | 103 Ų | 103 | 73.5 Ų | 73.5 | 53% | 0.528 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 179.2 | -65.5 | 165.9 | 0 | 0 | 0 | 110.9 | E85 Q86 K91 A92 A93 | E85-I89 HydrophobicContact CG-CD1 4.15Å; E85-I89 WeakPolarHBondContact O-CG1 3.48Å; E85-I89 PolarHBondContact O-N 3.34Å; Q86-I89 PolarHBondContact O-N 3.19Å; I89-K91 VanDerWaalsContact C-N 3.34Å; I89-K91 PolarHBondContact O-N 2.93Å; I89-A92 PolarHBondContact O-N 3.47Å; I89-A93 WeakPolarHBondContact O-CB 3.43Å; I89-A93 PolarHBondContact O-N 3.28Å |
| 90 | E | 95.2 | Very high | 95.1 | Very high | 49 Ų | 49 | 73.4 Ų | 73.4 | 23% | 0.229 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.2 | -36 | -178.9 | -173.2 | 70.2 | -137.9 | 0 | 0 | 112 | Q86 A93 R94 S127 N130 I131 M134 | Q86-E90 WeakPolarHBondContact O-CB 3.35Å; Q86-E90 PolarHBondContact O-N 2.95Å; E90-A93 PolarHBondContact O-N 3.09Å; E90-R94 WeakPolarHBondContact O-CB 3.42Å; E90-R94 PolarHBondContact O-N 2.89Å; E90-S127 WeakPolarHBondContact OE1-CA 3.26Å; E90-S127 VanDerWaalsContact OE1-CB 3.3Å; E90-S127 WeakPolarHBondContact OE1-CB 3.45Å; E90-S127 PolarHBondContact OE1-OG 3.45Å; E90-N130 HydrophobicContact CG-CB 4.41Å; E90-N130 PolarHBondContact OE2-ND2 3.48Å; E90-I131 HydrophobicContact CB-CG1 4.3Å; E90-I131 HydrophobicContact CG-CD1 4.26Å; E90-I131 HydrophobicContact CG-CG1 3.7Å; E90-M134 HydrophobicContact CB-CE 3.67Å; E90-M134 HydrophobicContact CG-CE 3.97Å |
| 91 | K | 93.4 | Very high | 95.1 | Very high | 71 Ų | 71 | 75 Ų | 75 | 31% | 0.309 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 172.4 | -80.1 | -177.7 | 172.5 | -174.3 | 0 | 111.8 | L87 K88 I89 A93 R94 D95 I131 | L87-K91 HydrophobicContact CD2-CD 3.88Å; L87-K91 HydrophobicContact CD2-CG 4.49Å; L87-K91 WeakPolarHBondContact O-CB 3.5Å; L87-K91 VanDerWaalsContact O-CG 3.29Å; L87-K91 WeakPolarHBondContact O-CG 3.33Å; L87-K91 PolarHBondContact O-N 2.89Å; K88-K91 PolarHBondContact O-N 3.2Å; I89-K91 VanDerWaalsContact C-N 3.34Å; I89-K91 PolarHBondContact O-N 2.93Å; K91-A93 VanDerWaalsContact C-N 3.34Å; K91-A93 PolarHBondContact O-N 3.36Å; K91-R94 WeakPolarHBondContact O-CB 3.36Å; K91-R94 PolarHBondContact O-N 3.38Å; K91-R94 VanDerWaalsContact O-N 3.15Å; K91-D95 PolarHBondContact O-N 2.78Å; K91-I131 HydrophobicContact CG-CD1 4.04Å |
| 92 | A | 94.3 | Very high | 95 | Very high | 45 Ų | 45 | 73.9 Ų | 73.9 | 37% | 0.372 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K88 I89 R94 D95 E96 | K88-A92 WeakPolarHBondContact O-CB 3.36Å; K88-A92 PolarHBondContact O-N 3.42Å; I89-A92 PolarHBondContact O-N 3.47Å; A92-R94 VanDerWaalsContact C-N 3.3Å; A92-R94 PolarHBondContact O-N 2.97Å; A92-D95 PolarHBondContact O-N 3.45Å; A92-D95 VanDerWaalsContact O-N 3.14Å; A92-E96 WeakPolarHBondContact O-CG 3.42Å; A92-E96 PolarHBondContact O-N 3.42Å |
| 93 | A | 94.4 | Very high | 94.9 | Very high | 45 Ų | 45 | 75.1 Ų | 75.1 | 37% | 0.372 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62 | -35.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I89 E90 K91 N97 | I89-A93 WeakPolarHBondContact O-CB 3.43Å; I89-A93 PolarHBondContact O-N 3.28Å; E90-A93 PolarHBondContact O-N 3.09Å; K91-A93 VanDerWaalsContact C-N 3.34Å; K91-A93 PolarHBondContact O-N 3.36Å; A93-N97 VanDerWaalsContact O-CB 3.31Å; A93-N97 WeakPolarHBondContact O-CB 3.42Å; A93-N97 PolarHBondContact O-N 3.38Å; A93-N97 VanDerWaalsContact O-N 3.1Å |
| 94 | R | 94.2 | Very high | 94.7 | Very high | 45 Ų | 45 | 77.9 Ų | 77.9 | 17% | 0.17 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 172.9 | -171.5 | -171 | 56.5 | 55.3 | 5.7 | 111 | E90 K91 A92 N97 V98 | E90-R94 WeakPolarHBondContact O-CB 3.42Å; E90-R94 PolarHBondContact O-N 2.89Å; K91-R94 WeakPolarHBondContact O-CB 3.36Å; K91-R94 PolarHBondContact O-N 3.38Å; K91-R94 VanDerWaalsContact O-N 3.15Å; A92-R94 VanDerWaalsContact C-N 3.3Å; A92-R94 PolarHBondContact O-N 2.97Å; R94-N97 PolarHBondContact O-N 3.24Å; R94-V98 WeakPolarHBondContact O-CG2 3.45Å; R94-V98 PolarHBondContact O-N 2.98Å |
| 95 | D | 95.3 | Very high | 94.4 | Very high | 77 Ų | 77 | 77.6 Ų | 77.6 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.5 | -42.6 | -179.4 | -67.2 | -27.9 | 0 | 0 | 0 | 111.7 | K91 A92 N97 V98 V99 | K91-D95 PolarHBondContact O-N 2.78Å; A92-D95 PolarHBondContact O-N 3.45Å; A92-D95 VanDerWaalsContact O-N 3.14Å; D95-N97 VanDerWaalsContact C-N 3.3Å; D95-N97 PolarHBondContact O-N 3.2Å; D95-V98 WeakPolarHBondContact O-CB 3.48Å; D95-V98 PolarHBondContact O-N 3.41Å; D95-V98 VanDerWaalsContact O-N 3.11Å; D95-V99 WeakPolarHBondContact O-CG2 3.32Å; D95-V99 PolarHBondContact O-N 2.9Å |
| 96 | E | 95.6 | Very high | 94 | Very high | 140 Ų | 140 | 78.4 Ų | 78.4 | 65% | 0.654 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -57.3 | -43 | 172 | -75 | 177.3 | -170.1 | 0 | 0 | 112 | A92 V98 V99 E100 | A92-E96 WeakPolarHBondContact O-CG 3.42Å; A92-E96 PolarHBondContact O-N 3.42Å; E96-V98 VanDerWaalsContact C-N 3.32Å; E96-V98 PolarHBondContact O-N 2.99Å; E96-V99 PolarHBondContact O-N 3.46Å; E96-E100 WeakPolarHBondContact O-CB 3.34Å; E96-E100 PolarHBondContact O-N 2.72Å |
| 97 | N | 93.8 | Very high | 93.4 | Very high | 20 Ų | 20 | 78.2 Ų | 78.2 | 11% | 0.107 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.2 | -31 | 177.7 | -177.1 | 34.3 | 0 | 0 | 0 | 112.5 | A93 R94 D95 Y101 K123 | A93-N97 VanDerWaalsContact O-CB 3.31Å; A93-N97 WeakPolarHBondContact O-CB 3.42Å; A93-N97 PolarHBondContact O-N 3.38Å; A93-N97 VanDerWaalsContact O-N 3.1Å; R94-N97 PolarHBondContact O-N 3.24Å; D95-N97 VanDerWaalsContact C-N 3.3Å; D95-N97 PolarHBondContact O-N 3.2Å; N97-Y101 VanDerWaalsContact O-CB 3.32Å; N97-Y101 WeakPolarHBondContact O-CB 3.41Å; N97-Y101 PolarHBondContact O-N 3.04Å; N97-K123 WeakPolarHBondContact ND2-CB 3.42Å; N97-K123 WeakPolarHBondContact OD1-CD 3.27Å |
| 98 | V | 95.6 | Very high | 92.7 | Very high | 42 Ų | 42 | 79.5 Ų | 79.5 | 26% | 0.255 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.4 | -44.8 | 170.7 | 173 | 0 | 0 | 0 | 0 | 110.5 | R94 D95 E96 Y101 L102 F120 | R94-V98 WeakPolarHBondContact O-CG2 3.45Å; R94-V98 PolarHBondContact O-N 2.98Å; D95-V98 WeakPolarHBondContact O-CB 3.48Å; D95-V98 PolarHBondContact O-N 3.41Å; D95-V98 VanDerWaalsContact O-N 3.11Å; E96-V98 VanDerWaalsContact C-N 3.32Å; E96-V98 PolarHBondContact O-N 2.99Å; V98-Y101 WeakPolarHBondContact O-CB 2.92Å; V98-Y101 PolarHBondContact O-N 3.35Å; V98-L102 HydrophobicContact CG1-CD1 4.19Å; V98-L102 HydrophobicContact CG1-CG 4.47Å; V98-L102 WeakPolarHBondContact O-CG 3.45Å; V98-L102 PolarHBondContact O-N 3.07Å; V98-F120 HydrophobicContact CB-CE2 4.41Å; V98-F120 HydrophobicContact CG2-CE2 3.76Å; V98-F120 HydrophobicContact CG2-CZ 3.98Å |
| 99 | V | 95.7 | Very high | 91.9 | Very high | 99 Ų | 99 | 78.1 Ų | 78.1 | 60% | 0.6 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.5 | -45 | 177.2 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | D95 E96 Y101 L102 K103 | D95-V99 WeakPolarHBondContact O-CG2 3.32Å; D95-V99 PolarHBondContact O-N 2.9Å; E96-V99 PolarHBondContact O-N 3.46Å; V99-Y101 VanDerWaalsContact C-N 3.35Å; V99-Y101 PolarHBondContact O-N 3.31Å; V99-L102 PolarHBondContact O-N 3Å; V99-K103 WeakPolarHBondContact O-CB 3.44Å; V99-K103 PolarHBondContact O-N 3.08Å |
| 100 | E | 93 | Very high | 91 | Very high | 97 Ų | 97 | 82.7 Ų | 82.7 | 45% | 0.453 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 175.6 | -167.9 | -171.6 | 179.1 | 0 | 0 | 111.2 | E96 K103 L104 K123 | E96-E100 WeakPolarHBondContact O-CB 3.34Å; E96-E100 PolarHBondContact O-N 2.72Å; E100-K103 PolarHBondContact O-N 3.35Å; E100-L104 HydrophobicContact CG-CD1 4.14Å; E100-L104 WeakPolarHBondContact O-CB 3.44Å; E100-L104 WeakPolarHBondContact O-CG 3.46Å; E100-L104 PolarHBondContact O-N 3.31Å; E100-K123 IonicContact OE2-NZ 3.47Å |
| 101 | Y | 94.3 | Very high | 90.2 | Very high | 47 Ų | 47 | 88.9 Ų | 88.9 | 18% | 0.184 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -59.5 | -49.9 | 175.6 | 170.5 | -104.4 | 0 | 0 | 0 | 112 | N97 V98 V99 K103 L104 V105 I116 K117 F120 | N97-Y101 VanDerWaalsContact O-CB 3.32Å; N97-Y101 WeakPolarHBondContact O-CB 3.41Å; N97-Y101 PolarHBondContact O-N 3.04Å; V98-Y101 WeakPolarHBondContact O-CB 2.92Å; V98-Y101 PolarHBondContact O-N 3.35Å; V99-Y101 VanDerWaalsContact C-N 3.35Å; V99-Y101 PolarHBondContact O-N 3.31Å; Y101-K103 VanDerWaalsContact C-N 3.26Å; Y101-K103 PolarHBondContact O-N 3.01Å; Y101-L104 PolarHBondContact O-N 3.07Å; Y101-V105 HydrophobicContact CD1-CG2 4.21Å; Y101-V105 HydrophobicContact CD2-CG2 3.87Å; Y101-V105 HydrophobicContact CE1-CG2 3.83Å; Y101-V105 HydrophobicContact CE2-CG2 3.45Å; Y101-V105 VanDerWaalsContact CE2-CG2 3.45Å; Y101-V105 HydrophobicContact CG-CG2 4.23Å; Y101-V105 VanDerWaalsContact CZ-CG2 3.44Å; Y101-V105 WeakPolarHBondContact O-CB 3.43Å; Y101-V105 WeakPolarHBondContact O-CG2 3.26Å; Y101-V105 PolarHBondContact O-N 3.11Å; Y101-I116 HydrophobicContact CD2-CG2 3.78Å; Y101-I116 HydrophobicContact CE2-CG2 4Å; Y101-K117 HydrophobicContact CE2-CB 4.36Å; Y101-F120 HydrophobicContact CD1-CD1 4.35Å; Y101-F120 HydrophobicContact CD1-CD2 4.32Å; Y101-F120 HydrophobicContact CD1-CE2 4.48Å; Y101-F120 HydrophobicContact CD1-CG 4.26Å; Y101-F120 HydrophobicContact CD2-CB 3.49Å; Y101-F120 VanDerWaalsContact CD2-CB 3.49Å; Y101-F120 HydrophobicContact CD2-CD1 4.2Å; Y101-F120 HydrophobicContact CD2-CD2 4.16Å; Y101-F120 AromaticContact CD2-CG 3.68Å; Y101-F120 HydrophobicContact CD2-CG 3.68Å; Y101-F120 HydrophobicContact CE1-CD1 4.47Å; Y101-F120 HydrophobicContact CE2-CB 4.01Å; Y101-F120 HydrophobicContact CE2-CD1 4.33Å; Y101-F120 HydrophobicContact CE2-CG 4.21Å; Y101-F120 HydrophobicContact CG-CB 4Å; Y101-F120 HydrophobicContact CG-CD1 4.21Å; Y101-F120 AromaticContact CG-CD2 3.75Å; Y101-F120 HydrophobicContact CG-CD2 3.75Å; Y101-F120 HydrophobicContact CG-CE2 4.31Å; Y101-F120 AromaticContact CG-CG 3.69Å; Y101-F120 HydrophobicContact CG-CG 3.69Å |
| 102 | L | 94.3 | Very high | 89.6 | Confident | 95 Ų | 95 | 90.6 Ų | 90.6 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.4 | -38.1 | 179 | -69.2 | 175.2 | 0 | 0 | 0 | 111.8 | V98 V99 N106 | V98-L102 HydrophobicContact CG1-CD1 4.19Å; V98-L102 HydrophobicContact CG1-CG 4.47Å; V98-L102 WeakPolarHBondContact O-CG 3.45Å; V98-L102 PolarHBondContact O-N 3.07Å; V99-L102 PolarHBondContact O-N 3Å; L102-N106 WeakPolarHBondContact O-CB 3.28Å; L102-N106 PolarHBondContact O-N 3.46Å; L102-N106 VanDerWaalsContact O-N 3.14Å; L102-N106 PolarHBondContact O-ND2 2.93Å |
| 103 | K | 93.3 | Very high | 89.3 | Confident | 156 Ų | 156 | 91.5 Ų | 91.5 | 68% | 0.678 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.6 | -45.3 | 175.1 | -173 | 179.1 | -179.9 | -179.5 | 0 | 112.1 | V99 E100 Y101 N106 S107 | V99-K103 WeakPolarHBondContact O-CB 3.44Å; V99-K103 PolarHBondContact O-N 3.08Å; E100-K103 PolarHBondContact O-N 3.35Å; Y101-K103 VanDerWaalsContact C-N 3.26Å; Y101-K103 PolarHBondContact O-N 3.01Å; K103-N106 PolarHBondContact O-N 3.19Å; K103-S107 WeakPolarHBondContact O-CB 3.11Å; K103-S107 PolarHBondContact O-N 2.74Å; K103-S107 PolarHBondContact O-OG 3.35Å |
| 104 | L | 91.4 | Very high | 89 | Confident | 64 Ų | 64 | 91.8 Ų | 91.8 | 34% | 0.335 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 178.4 | -74.8 | 167.6 | 0 | 0 | 0 | 111.8 | E100 Y101 N106 S107 V108 I116 | E100-L104 HydrophobicContact CG-CD1 4.14Å; E100-L104 WeakPolarHBondContact O-CB 3.44Å; E100-L104 WeakPolarHBondContact O-CG 3.46Å; E100-L104 PolarHBondContact O-N 3.31Å; Y101-L104 PolarHBondContact O-N 3.07Å; L104-N106 VanDerWaalsContact C-N 3.26Å; L104-N106 PolarHBondContact O-N 3.32Å; L104-S107 WeakPolarHBondContact CA-OG 3.34Å; L104-S107 PolarHBondContact O-N 2.91Å; L104-S107 PolarHBondContact O-OG 2.95Å; L104-V108 HydrophobicContact CD2-CG2 4.44Å; L104-V108 VanDerWaalsContact O-CB 3.22Å; L104-V108 WeakPolarHBondContact O-CB 3.2Å; L104-V108 WeakPolarHBondContact O-CG2 3.11Å; L104-V108 PolarHBondContact O-N 3.41Å; L104-I116 HydrophobicContact CB-CD1 4.21Å; L104-I116 HydrophobicContact CB-CG2 3.91Å; L104-I116 HydrophobicContact CD1-CG2 4.33Å |
| 105 | V | 89.5 | Confident | 88.8 | Confident | 42 Ų | 42 | 98 Ų | 98 | 26% | 0.255 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -36.8 | 175.8 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | Y101 L113 | Y101-V105 HydrophobicContact CD1-CG2 4.21Å; Y101-V105 HydrophobicContact CD2-CG2 3.87Å; Y101-V105 HydrophobicContact CE1-CG2 3.83Å; Y101-V105 HydrophobicContact CE2-CG2 3.45Å; Y101-V105 VanDerWaalsContact CE2-CG2 3.45Å; Y101-V105 HydrophobicContact CG-CG2 4.23Å; Y101-V105 VanDerWaalsContact CZ-CG2 3.44Å; Y101-V105 WeakPolarHBondContact O-CB 3.43Å; Y101-V105 WeakPolarHBondContact O-CG2 3.26Å; Y101-V105 PolarHBondContact O-N 3.11Å; V105-L113 HydrophobicContact CB-CD1 4.03Å; V105-L113 HydrophobicContact CG1-CD1 3.79Å; V105-L113 HydrophobicContact CG2-CD1 3.65Å |
| 106 | N | 86.6 | Confident | 88.6 | Confident | 144 Ų | 144 | 95.6 Ų | 95.6 | 77% | 0.77 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -80.5 | -12.9 | 179.7 | -75.4 | -18.5 | 0 | 0 | 0 | 114.5 | L102 K103 L104 | L102-N106 WeakPolarHBondContact O-CB 3.28Å; L102-N106 PolarHBondContact O-N 3.46Å; L102-N106 VanDerWaalsContact O-N 3.14Å; L102-N106 PolarHBondContact O-ND2 2.93Å; K103-N106 PolarHBondContact O-N 3.19Å; L104-N106 VanDerWaalsContact C-N 3.26Å; L104-N106 PolarHBondContact O-N 3.32Å |
| 107 | S | 82 | Confident | 88.5 | Confident | 86 Ų | 86 | 93.7 Ų | 93.7 | 60% | 0.601 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -114.3 | -3.3 | -173.9 | 51.4 | 0 | 0 | 0 | 0 | 114.6 | K103 L104 | K103-S107 WeakPolarHBondContact O-CB 3.11Å; K103-S107 PolarHBondContact O-N 2.74Å; K103-S107 PolarHBondContact O-OG 3.35Å; L104-S107 WeakPolarHBondContact CA-OG 3.34Å; L104-S107 PolarHBondContact O-N 2.91Å; L104-S107 PolarHBondContact O-OG 2.95Å |
| 108 | V | 82.2 | Confident | 88.5 | Confident | 39 Ų | 39 | 99.4 Ų | 99.4 | 24% | 0.236 | 50% | 0.501 | C | S | . | . | S | Bend | trans | -124.2 | 144.1 | -166.7 | 178.3 | 0 | 0 | 0 | 0 | 113.2 | L104 Q112 I116 | L104-V108 HydrophobicContact CD2-CG2 4.44Å; L104-V108 VanDerWaalsContact O-CB 3.22Å; L104-V108 WeakPolarHBondContact O-CB 3.2Å; L104-V108 WeakPolarHBondContact O-CG2 3.11Å; L104-V108 PolarHBondContact O-N 3.41Å; V108-Q112 HydrophobicContact CG1-CB 3.37Å; V108-Q112 HydrophobicContact CG1-CG 4.2Å; V108-I116 HydrophobicContact CB-CD1 3.86Å; V108-I116 HydrophobicContact CG1-CD1 3.68Å; V108-I116 HydrophobicContact CG2-CD1 3.87Å |
| 109 | D | 78.8 | Confident | 88.4 | Confident | 134 Ų | 134 | 101.3 Ų | 101.3 | 72% | 0.717 | 51% | 0.513 | S | S | * | . | trans | -59.4 | 148.6 | 176.2 | -75.1 | -39.8 | 0 | 0 | 0 | 114 | Q111 Q112 | D109-Q111 PolarHBondContact O-N 2.92Å; D109-Q112 PolarHBondContact O-N 3.35Å | ||
| 110 | K | 77.3 | Confident | 88.4 | Confident | 199 Ų | 199 | 98.2 Ų | 98.2 | 87% | 0.865 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -25.3 | -174.6 | -65.7 | -177.3 | -179.5 | -180 | 0 | 115.1 | ||
| 111 | Q | 78.1 | Confident | 88.5 | Confident | 180 Ų | 180 | 98.1 Ų | 98.1 | 84% | 0.841 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -26.8 | 179.2 | -72 | -166.1 | -21.1 | 0 | 0 | 114.2 | D109 | D109-Q111 PolarHBondContact O-N 2.92Š|
| 112 | Q | 81.9 | Confident | 88.6 | Confident | 106 Ų | 106 | 103.9 Ų | 103.9 | 50% | 0.495 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -16.5 | 179.5 | -70.1 | -174 | -2.4 | 0 | 0 | 112.6 | V108 D109 G114 R115 I116 | V108-Q112 HydrophobicContact CG1-CB 3.37Å; V108-Q112 HydrophobicContact CG1-CG 4.2Å; D109-Q112 PolarHBondContact O-N 3.35Å; Q112-G114 VanDerWaalsContact C-N 3.26Å; Q112-G114 PolarHBondContact O-N 3.16Å; Q112-R115 PolarHBondContact O-N 3.43Å; Q112-I116 HydrophobicContact CB-CD1 4.41Å; Q112-I116 PolarHBondContact O-N 3.28Å |
| 113 | L | 88.3 | Confident | 88.6 | Confident | 64 Ų | 64 | 104.1 Ų | 104.1 | 34% | 0.335 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -54.4 | -39.5 | 178.5 | -173.2 | 62.6 | 0 | 0 | 0 | 113.1 | V105 R115 I116 K117 | V105-L113 HydrophobicContact CB-CD1 4.03Å; V105-L113 HydrophobicContact CG1-CD1 3.79Å; V105-L113 HydrophobicContact CG2-CD1 3.65Å; L113-R115 PolarHBondContact O-N 2.93Å; L113-I116 PolarHBondContact O-N 3.48Å; L113-K117 WeakPolarHBondContact O-CB 3.47Å; L113-K117 PolarHBondContact O-N 3.24Å |
| 114 | G | 87.3 | Confident | 88.8 | Confident | 51 Ų | 51 | 98.6 Ų | 98.6 | 53% | 0.526 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q112 Q118 | Q112-G114 VanDerWaalsContact C-N 3.26Å; Q112-G114 PolarHBondContact O-N 3.16Å; G114-Q118 PolarHBondContact O-N 3.17Å; G114-Q118 VanDerWaalsContact O-N 3.14Å |
| 115 | R | 90.2 | Very high | 89 | Confident | 177 Ų | 177 | 100.2 Ų | 100.2 | 67% | 0.668 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -72.4 | -42.1 | 177.3 | -64 | -175.5 | -177.3 | 122.7 | -0.5 | 111.3 | Q112 L113 K117 Q118 V119 | Q112-R115 PolarHBondContact O-N 3.43Å; L113-R115 PolarHBondContact O-N 2.93Å; R115-K117 VanDerWaalsContact C-N 3.34Å; R115-K117 PolarHBondContact O-N 2.9Å; R115-Q118 PolarHBondContact O-N 2.85Å; R115-V119 WeakPolarHBondContact O-CG2 3.43Å; R115-V119 PolarHBondContact O-N 3.41Å |
| 116 | I | 91.2 | Very high | 89.2 | Confident | 26 Ų | 26 | 105.9 Ų | 105.9 | 13% | 0.133 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 176.5 | -68.9 | 162.1 | 0 | 0 | 0 | 110.4 | Y101 L104 V108 Q112 L113 Q118 V119 F120 | Y101-I116 HydrophobicContact CD2-CG2 3.78Å; Y101-I116 HydrophobicContact CE2-CG2 4Å; L104-I116 HydrophobicContact CB-CD1 4.21Å; L104-I116 HydrophobicContact CB-CG2 3.91Å; L104-I116 HydrophobicContact CD1-CG2 4.33Å; V108-I116 HydrophobicContact CB-CD1 3.86Å; V108-I116 HydrophobicContact CG1-CD1 3.68Å; V108-I116 HydrophobicContact CG2-CD1 3.87Å; Q112-I116 HydrophobicContact CB-CD1 4.41Å; Q112-I116 PolarHBondContact O-N 3.28Å; L113-I116 PolarHBondContact O-N 3.48Å; I116-Q118 PolarHBondContact O-N 3.03Å; I116-V119 PolarHBondContact O-N 2.96Å; I116-F120 WeakPolarHBondContact O-CB 3.48Å; I116-F120 PolarHBondContact O-N 3Å |
| 117 | K | 93.1 | Very high | 89.6 | Confident | 100 Ų | 100 | 99.3 Ų | 99.3 | 44% | 0.435 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 175.6 | -171.2 | -177.7 | -179.5 | -162 | 0 | 112.3 | Y101 L113 R115 V119 F120 E121 | Y101-K117 HydrophobicContact CE2-CB 4.36Å; L113-K117 WeakPolarHBondContact O-CB 3.47Å; L113-K117 PolarHBondContact O-N 3.24Å; R115-K117 VanDerWaalsContact C-N 3.34Å; R115-K117 PolarHBondContact O-N 2.9Å; K117-V119 PolarHBondContact O-N 3.49Å; K117-F120 PolarHBondContact O-N 3.37Å; K117-E121 WeakPolarHBondContact CE-OE1 3.43Å; K117-E121 HydrophobicContact CG-CG 4.48Å; K117-E121 IonicContact NZ-OE1 3.52Å; K117-E121 WeakPolarHBondContact O-CB 3.06Å; K117-E121 WeakPolarHBondContact O-CG 3.46Å; K117-E121 PolarHBondContact O-N 2.7Å |
| 118 | Q | 93.8 | Very high | 90.2 | Very high | 139 Ų | 139 | 97.7 Ų | 97.7 | 65% | 0.65 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.6 | -40.5 | 179.6 | -168.9 | -179.9 | 22.2 | 0 | 0 | 112.5 | G114 R115 I116 K122 | G114-Q118 PolarHBondContact O-N 3.17Å; G114-Q118 VanDerWaalsContact O-N 3.14Å; R115-Q118 PolarHBondContact O-N 2.85Å; I116-Q118 PolarHBondContact O-N 3.03Å; Q118-K122 WeakPolarHBondContact O-CB 3.48Å; Q118-K122 PolarHBondContact O-N 3.21Å; Q118-K122 VanDerWaalsContact O-N 3.08Å |
| 119 | V | 94.2 | Very high | 90.9 | Very high | 82 Ų | 82 | 101.6 Ų | 101.6 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.3 | -43.7 | 176.1 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | R115 I116 K117 K122 K123 | R115-V119 WeakPolarHBondContact O-CG2 3.43Å; R115-V119 PolarHBondContact O-N 3.41Å; I116-V119 PolarHBondContact O-N 2.96Å; K117-V119 PolarHBondContact O-N 3.49Å; V119-K122 PolarHBondContact O-N 3.48Å; V119-K123 HydrophobicContact CG1-CD 4.47Å; V119-K123 PolarHBondContact O-N 2.82Å |
| 120 | F | 95.8 | Very high | 91.7 | Very high | 35 Ų | 35 | 98 Ų | 98 | 15% | 0.154 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -59.8 | -52.1 | 175.9 | 170.2 | -101.1 | 0 | 0 | 0 | 111.6 | V98 Y101 I116 K117 K122 K123 N124 | V98-F120 HydrophobicContact CB-CE2 4.41Å; V98-F120 HydrophobicContact CG2-CE2 3.76Å; V98-F120 HydrophobicContact CG2-CZ 3.98Å; Y101-F120 HydrophobicContact CD1-CD1 4.35Å; Y101-F120 HydrophobicContact CD1-CD2 4.32Å; Y101-F120 HydrophobicContact CD1-CE2 4.48Å; Y101-F120 HydrophobicContact CD1-CG 4.26Å; Y101-F120 HydrophobicContact CD2-CB 3.49Å; Y101-F120 VanDerWaalsContact CD2-CB 3.49Å; Y101-F120 HydrophobicContact CD2-CD1 4.2Å; Y101-F120 HydrophobicContact CD2-CD2 4.16Å; Y101-F120 AromaticContact CD2-CG 3.68Å; Y101-F120 HydrophobicContact CD2-CG 3.68Å; Y101-F120 HydrophobicContact CE1-CD1 4.47Å; Y101-F120 HydrophobicContact CE2-CB 4.01Å; Y101-F120 HydrophobicContact CE2-CD1 4.33Å; Y101-F120 HydrophobicContact CE2-CG 4.21Å; Y101-F120 HydrophobicContact CG-CB 4Å; Y101-F120 HydrophobicContact CG-CD1 4.21Å; Y101-F120 AromaticContact CG-CD2 3.75Å; Y101-F120 HydrophobicContact CG-CD2 3.75Å; Y101-F120 HydrophobicContact CG-CE2 4.31Å; Y101-F120 AromaticContact CG-CG 3.69Å; Y101-F120 HydrophobicContact CG-CG 3.69Å; I116-F120 WeakPolarHBondContact O-CB 3.48Å; I116-F120 PolarHBondContact O-N 3Å; K117-F120 PolarHBondContact O-N 3.37Å; F120-K122 VanDerWaalsContact C-N 3.27Å; F120-K122 PolarHBondContact O-N 2.93Å; F120-K123 PolarHBondContact O-N 3.41Å; F120-K123 VanDerWaalsContact O-N 3.17Å; F120-N124 HydrophobicContact CE1-CB 4.37Å; F120-N124 HydrophobicContact CE2-CB 4.39Å; F120-N124 HydrophobicContact CZ-CB 4.18Å; F120-N124 VanDerWaalsContact O-CB 3.26Å; F120-N124 WeakPolarHBondContact O-CB 3.43Å; F120-N124 PolarHBondContact O-N 2.88Å |
| 121 | E | 95.4 | Very high | 92.5 | Very high | 94 Ų | 94 | 89.2 Ų | 89.2 | 44% | 0.439 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.7 | -40.7 | 179.3 | -78 | -179.1 | 176.2 | 0 | 0 | 111.6 | K117 N124 N125 | K117-E121 WeakPolarHBondContact CE-OE1 3.43Å; K117-E121 HydrophobicContact CG-CG 4.48Å; K117-E121 IonicContact NZ-OE1 3.52Å; K117-E121 WeakPolarHBondContact O-CB 3.06Å; K117-E121 WeakPolarHBondContact O-CG 3.46Å; K117-E121 PolarHBondContact O-N 2.7Å; E121-N124 PolarHBondContact O-N 3.28Å; E121-N125 VanDerWaalsContact O-CB 3.31Å; E121-N125 WeakPolarHBondContact O-CB 3.39Å; E121-N125 PolarHBondContact O-N 3.26Å |
| 122 | K | 96.6 | Very high | 93.4 | Very high | 168 Ų | 168 | 83.1 Ų | 83.1 | 73% | 0.73 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.6 | -46.2 | 177.2 | -172.1 | 177.8 | -179.8 | -179.5 | 0 | 112.2 | Q118 V119 F120 K126 | Q118-K122 WeakPolarHBondContact O-CB 3.48Å; Q118-K122 PolarHBondContact O-N 3.21Å; Q118-K122 VanDerWaalsContact O-N 3.08Å; V119-K122 PolarHBondContact O-N 3.48Å; F120-K122 VanDerWaalsContact C-N 3.27Å; F120-K122 PolarHBondContact O-N 2.93Å; K122-K126 PolarHBondContact O-N 3.45Å; K122-K126 VanDerWaalsContact O-N 3.16Å |
| 123 | K | 94.6 | Very high | 94.1 | Very high | 100 Ų | 100 | 84.3 Ų | 84.3 | 44% | 0.435 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 176.9 | -74.2 | -176 | 177.1 | -178.3 | 0 | 111.2 | N97 E100 V119 F120 K126 S127 | N97-K123 WeakPolarHBondContact ND2-CB 3.42Å; N97-K123 WeakPolarHBondContact OD1-CD 3.27Å; E100-K123 IonicContact OE2-NZ 3.47Å; V119-K123 HydrophobicContact CG1-CD 4.47Å; V119-K123 PolarHBondContact O-N 2.82Å; F120-K123 PolarHBondContact O-N 3.41Å; F120-K123 VanDerWaalsContact O-N 3.17Å; K123-K126 PolarHBondContact O-N 3.05Å; K123-S127 WeakPolarHBondContact O-CB 3.3Å; K123-S127 PolarHBondContact O-N 3.45Å |
| 124 | N | 95.8 | Very high | 94.5 | Very high | 40 Ų | 40 | 81.9 Ų | 81.9 | 21% | 0.214 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 179.3 | -171.4 | 60.1 | 0 | 0 | 0 | 111.2 | F120 E121 K126 S127 S128 | F120-N124 HydrophobicContact CE1-CB 4.37Å; F120-N124 HydrophobicContact CE2-CB 4.39Å; F120-N124 HydrophobicContact CZ-CB 4.18Å; F120-N124 VanDerWaalsContact O-CB 3.26Å; F120-N124 WeakPolarHBondContact O-CB 3.43Å; F120-N124 PolarHBondContact O-N 2.88Å; E121-N124 PolarHBondContact O-N 3.28Å; N124-K126 VanDerWaalsContact C-N 3.32Å; N124-K126 PolarHBondContact O-N 3.05Å; N124-S127 PolarHBondContact O-N 3.46Å; N124-S128 WeakPolarHBondContact O-CB 3.42Å; N124-S128 PolarHBondContact O-N 3Å; N124-S128 PolarHBondContact O-OG 3.17Å |
| 125 | N | 95.6 | Very high | 94.9 | Very high | 98 Ų | 98 | 83.2 Ų | 83.2 | 52% | 0.524 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 175.8 | -88.6 | 7.7 | 0 | 0 | 0 | 112.5 | E121 Q129 | E121-N125 VanDerWaalsContact O-CB 3.31Å; E121-N125 WeakPolarHBondContact O-CB 3.39Å; E121-N125 PolarHBondContact O-N 3.26Å; N125-Q129 WeakPolarHBondContact O-CB 3.44Å; N125-Q129 VanDerWaalsContact O-CG 3.27Å; N125-Q129 WeakPolarHBondContact O-CG 3.4Å; N125-Q129 PolarHBondContact O-N 3.49Å |
| 126 | K | 95.6 | Very high | 95.2 | Very high | 162 Ų | 162 | 82.1 Ų | 82.1 | 70% | 0.704 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.6 | -46.3 | 177 | -174.5 | -178.9 | 179.3 | -173.6 | 0 | 111.2 | K122 K123 N124 Q129 N130 | K122-K126 PolarHBondContact O-N 3.45Å; K122-K126 VanDerWaalsContact O-N 3.16Å; K123-K126 PolarHBondContact O-N 3.05Å; N124-K126 VanDerWaalsContact C-N 3.32Å; N124-K126 PolarHBondContact O-N 3.05Å; K126-Q129 PolarHBondContact O-N 3.32Å; K126-N130 WeakPolarHBondContact O-CB 3.2Å; K126-N130 PolarHBondContact O-N 2.97Å |
| 127 | S | 94.9 | Very high | 95.4 | Very high | 5 Ų | 5 | 85.3 Ų | 85.3 | 4% | 0.035 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 178.7 | -169.6 | 0 | 0 | 0 | 0 | 111.4 | E90 K123 N124 Q129 N130 I131 | E90-S127 WeakPolarHBondContact OE1-CA 3.26Å; E90-S127 VanDerWaalsContact OE1-CB 3.3Å; E90-S127 WeakPolarHBondContact OE1-CB 3.45Å; E90-S127 PolarHBondContact OE1-OG 3.45Å; K123-S127 WeakPolarHBondContact O-CB 3.3Å; K123-S127 PolarHBondContact O-N 3.45Å; N124-S127 PolarHBondContact O-N 3.46Å; S127-Q129 VanDerWaalsContact C-N 3.34Å; S127-Q129 PolarHBondContact O-N 3.34Å; S127-N130 PolarHBondContact O-N 3.08Å; S127-N130 VanDerWaalsContact O-N 3.13Å; S127-I131 WeakPolarHBondContact O-CB 3.38Å; S127-I131 VanDerWaalsContact O-CG1 3.27Å; S127-I131 WeakPolarHBondContact O-CG1 3.49Å; S127-I131 PolarHBondContact O-N 2.86Å |
| 128 | S | 94.8 | Very high | 95.5 | Very high | 53 Ų | 53 | 81.4 Ų | 81.4 | 37% | 0.371 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59 | -41.7 | 175.3 | -60.9 | 0 | 0 | 0 | 0 | 112.7 | N124 A132 | N124-S128 WeakPolarHBondContact O-CB 3.42Å; N124-S128 PolarHBondContact O-N 3Å; N124-S128 PolarHBondContact O-OG 3.17Å; S128-A132 WeakPolarHBondContact O-CB 3.38Å; S128-A132 PolarHBondContact O-N 2.75Å |
| 129 | Q | 96.3 | Very high | 95.5 | Very high | 121 Ų | 121 | 81 Ų | 81 | 57% | 0.565 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -65.3 | -42 | 174.9 | -73.4 | 175.5 | 13.5 | 0 | 0 | 112 | N125 K126 S127 A132 Q133 | N125-Q129 WeakPolarHBondContact O-CB 3.44Å; N125-Q129 VanDerWaalsContact O-CG 3.27Å; N125-Q129 WeakPolarHBondContact O-CG 3.4Å; N125-Q129 PolarHBondContact O-N 3.49Å; K126-Q129 PolarHBondContact O-N 3.32Å; S127-Q129 VanDerWaalsContact C-N 3.34Å; S127-Q129 PolarHBondContact O-N 3.34Å; Q129-A132 PolarHBondContact O-N 3.39Å; Q129-Q133 VanDerWaalsContact O-CG 3.3Å; Q129-Q133 WeakPolarHBondContact O-CG 3.27Å; Q129-Q133 PolarHBondContact O-N 2.94Å |
| 130 | N | 95.7 | Very high | 95.6 | Very high | 59 Ų | 59 | 82 Ų | 82 | 32% | 0.316 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 178.2 | -164 | 15.8 | 0 | 0 | 0 | 111.3 | E90 K126 S127 A132 Q133 M134 | E90-N130 HydrophobicContact CG-CB 4.41Å; E90-N130 PolarHBondContact OE2-ND2 3.48Å; K126-N130 WeakPolarHBondContact O-CB 3.2Å; K126-N130 PolarHBondContact O-N 2.97Å; S127-N130 PolarHBondContact O-N 3.08Å; S127-N130 VanDerWaalsContact O-N 3.13Å; N130-A132 PolarHBondContact O-N 3.33Å; N130-Q133 PolarHBondContact O-N 2.93Å; N130-M134 WeakPolarHBondContact O-CG 3.38Å; N130-M134 PolarHBondContact O-N 2.94Å |
| 131 | I | 94.6 | Very high | 95.6 | Very high | 14 Ų | 14 | 82 Ų | 82 | 7% | 0.072 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -57 | -48.5 | 174.9 | -68.4 | 167.2 | 0 | 0 | 0 | 110.3 | E90 K91 S127 Q133 M134 Q135 | E90-I131 HydrophobicContact CB-CG1 4.3Å; E90-I131 HydrophobicContact CG-CD1 4.26Å; E90-I131 HydrophobicContact CG-CG1 3.7Å; K91-I131 HydrophobicContact CG-CD1 4.04Å; S127-I131 WeakPolarHBondContact O-CB 3.38Å; S127-I131 VanDerWaalsContact O-CG1 3.27Å; S127-I131 WeakPolarHBondContact O-CG1 3.49Å; S127-I131 PolarHBondContact O-N 2.86Å; I131-Q133 VanDerWaalsContact C-N 3.32Å; I131-Q133 PolarHBondContact O-N 3.42Å; I131-M134 HydrophobicContact CG1-CE 4.43Å; I131-M134 PolarHBondContact O-N 3.28Å; I131-Q135 HydrophobicContact CG2-CG 4.24Å; I131-Q135 WeakPolarHBondContact O-CB 3.37Å; I131-Q135 VanDerWaalsContact O-CG 3.26Å; I131-Q135 WeakPolarHBondContact O-CG 3.28Å; I131-Q135 PolarHBondContact O-N 3.47Å |
| 132 | A | 96.1 | Very high | 95.4 | Very high | 52 Ų | 52 | 81.7 Ų | 81.7 | 43% | 0.43 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S128 Q129 N130 K136 | S128-A132 WeakPolarHBondContact O-CB 3.38Å; S128-A132 PolarHBondContact O-N 2.75Å; Q129-A132 PolarHBondContact O-N 3.39Å; N130-A132 PolarHBondContact O-N 3.33Å; A132-K136 WeakPolarHBondContact O-CB 3.48Å; A132-K136 PolarHBondContact O-N 3.07Å; A132-K136 VanDerWaalsContact O-N 3.07Å |
| 133 | Q | 96.5 | Very high | 95.2 | Very high | 130 Ų | 130 | 82.3 Ų | 82.3 | 61% | 0.607 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -66.1 | -43.6 | 176.1 | -73.1 | 176.8 | 9.9 | 0 | 0 | 112.1 | Q129 N130 I131 K136 K137 | Q129-Q133 VanDerWaalsContact O-CG 3.3Å; Q129-Q133 WeakPolarHBondContact O-CG 3.27Å; Q129-Q133 PolarHBondContact O-N 2.94Å; N130-Q133 PolarHBondContact O-N 2.93Å; I131-Q133 VanDerWaalsContact C-N 3.32Å; I131-Q133 PolarHBondContact O-N 3.42Å; Q133-K136 PolarHBondContact O-N 2.93Å; Q133-K137 WeakPolarHBondContact O-CB 3.49Å; Q133-K137 PolarHBondContact O-N 3.29Å |
| 134 | M | 95.9 | Very high | 95 | Very high | 13 Ų | 13 | 82.2 Ų | 82.2 | 6% | 0.064 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 177 | -69.6 | -171.6 | -58.8 | 0 | 0 | 112 | V83 Q86 L87 E90 N130 I131 K136 K137 L138 | V83-M134 HydrophobicContact CG1-CB 4.06Å; V83-M134 WeakPolarHBondContact CG1-O 3.48Å; Q86-M134 HydrophobicContact CB-SD 3.7Å; L87-M134 HydrophobicContact CB-CE 4.12Å; L87-M134 HydrophobicContact CD1-CB 4.19Å; L87-M134 HydrophobicContact CG-CE 4.48Å; E90-M134 HydrophobicContact CB-CE 3.67Å; E90-M134 HydrophobicContact CG-CE 3.97Å; N130-M134 WeakPolarHBondContact O-CG 3.38Å; N130-M134 PolarHBondContact O-N 2.94Å; I131-M134 HydrophobicContact CG1-CE 4.43Å; I131-M134 PolarHBondContact O-N 3.28Å; M134-K136 PolarHBondContact O-N 3.04Å; M134-K137 WeakPolarHBondContact O-CB 3.31Å; M134-K137 PolarHBondContact O-N 2.9Å; M134-L138 WeakPolarHBondContact O-CB 3.46Å; M134-L138 PolarHBondContact O-N 3.21Å |
| 135 | Q | 95.8 | Very high | 94.5 | Very high | 79 Ų | 79 | 82.2 Ų | 82.2 | 37% | 0.369 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -56.9 | -49.6 | 174 | -75.7 | 173.6 | -27.3 | 0 | 0 | 111.1 | L87 I131 K137 L138 E139 | L87-Q135 HydrophobicContact CD1-CB 4.47Å; L87-Q135 HydrophobicContact CD1-CG 3.51Å; I131-Q135 HydrophobicContact CG2-CG 4.24Å; I131-Q135 WeakPolarHBondContact O-CB 3.37Å; I131-Q135 VanDerWaalsContact O-CG 3.26Å; I131-Q135 WeakPolarHBondContact O-CG 3.28Å; I131-Q135 PolarHBondContact O-N 3.47Å; Q135-K137 VanDerWaalsContact C-N 3.28Å; Q135-K137 PolarHBondContact O-N 3.23Å; Q135-L138 WeakPolarHBondContact O-CB 3.48Å; Q135-L138 PolarHBondContact O-N 3.37Å; Q135-E139 WeakPolarHBondContact O-CG 3.41Å; Q135-E139 PolarHBondContact O-N 3Å |
| 136 | K | 96.9 | Very high | 94 | Very high | 155 Ų | 155 | 84.5 Ų | 84.5 | 67% | 0.674 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.3 | -38.3 | 177.2 | -173.1 | 175.8 | -177.5 | 176.7 | 0 | 112.6 | A132 Q133 M134 Q140 | A132-K136 WeakPolarHBondContact O-CB 3.48Å; A132-K136 PolarHBondContact O-N 3.07Å; A132-K136 VanDerWaalsContact O-N 3.07Å; Q133-K136 PolarHBondContact O-N 2.93Å; M134-K136 PolarHBondContact O-N 3.04Å; K136-Q140 WeakPolarHBondContact O-CB 3.35Å; K136-Q140 PolarHBondContact O-N 2.83Å |
| 137 | K | 95.4 | Very high | 93.4 | Very high | 93 Ų | 93 | 81 Ų | 81 | 40% | 0.404 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69 | -39.1 | 177.9 | -169.2 | 174.2 | -179.2 | 179.1 | 0 | 111.8 | V83 Q133 M134 Q135 Q140 Y141 | V83-K137 HydrophobicContact CG2-CD 4.15Å; V83-K137 HydrophobicContact CG2-CG 4.45Å; Q133-K137 WeakPolarHBondContact O-CB 3.49Å; Q133-K137 PolarHBondContact O-N 3.29Å; M134-K137 WeakPolarHBondContact O-CB 3.31Å; M134-K137 PolarHBondContact O-N 2.9Å; Q135-K137 VanDerWaalsContact C-N 3.28Å; Q135-K137 PolarHBondContact O-N 3.23Å; K137-Q140 WeakPolarHBondContact O-CB 3.49Å; K137-Q140 PolarHBondContact O-N 3.43Å; K137-Y141 HydrophobicContact CD-CE2 4.18Å; K137-Y141 WeakPolarHBondContact CE-OH 3.44Å; K137-Y141 HydrophobicContact CG-CD2 4.25Å; K137-Y141 HydrophobicContact CG-CE2 3.65Å; K137-Y141 WeakPolarHBondContact O-CD2 3.3Å; K137-Y141 PolarHBondContact O-N 3.16Å |
| 138 | L | 95.3 | Very high | 92.5 | Very high | 17 Ų | 17 | 82.8 Ų | 82.8 | 9% | 0.089 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65 | -46.8 | 175.6 | -173.8 | 139.7 | 0 | 0 | 0 | 111.1 | V83 T84 M134 Q135 Q140 Y141 H142 | V83-L138 HydrophobicContact CG1-CB 3.97Å; V83-L138 HydrophobicContact CG1-CD1 4.27Å; T84-L138 WeakPolarHBondContact OG1-CD1 3.37Å; M134-L138 WeakPolarHBondContact O-CB 3.46Å; M134-L138 PolarHBondContact O-N 3.21Å; Q135-L138 WeakPolarHBondContact O-CB 3.48Å; Q135-L138 PolarHBondContact O-N 3.37Å; L138-Q140 VanDerWaalsContact C-N 3.3Å; L138-Q140 PolarHBondContact O-N 2.96Å; L138-Y141 PolarHBondContact O-N 3.35Å; L138-Y141 VanDerWaalsContact O-N 3.13Å; L138-H142 VanDerWaalsContact CD2-CD2 3.43Å; L138-H142 WeakPolarHBondContact CD2-CD2 3.5Å; L138-H142 PolarHBondContact O-CD2 2.93Å; L138-H142 VanDerWaalsContact O-CD2 3.24Å; L138-H142 PolarHBondContact O-N 3.04Å |
| 139 | E | 94.6 | Very high | 91.3 | Very high | 131 Ų | 131 | 86.9 Ų | 86.9 | 61% | 0.612 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -57.3 | -43 | 172.4 | -72.6 | 173.4 | -172 | 0 | 0 | 111.9 | Q135 Y141 H142 R143 | Q135-E139 WeakPolarHBondContact O-CG 3.41Å; Q135-E139 PolarHBondContact O-N 3Å; E139-Y141 VanDerWaalsContact C-N 3.33Å; E139-Y141 PolarHBondContact O-N 3.28Å; E139-H142 PolarHBondContact O-N 3.37Å; E139-R143 WeakPolarHBondContact O-CB 3.42Å; E139-R143 PolarHBondContact O-N 2.67Å |
| 140 | Q | 95.6 | Very high | 89.7 | Confident | 104 Ų | 104 | 86 Ų | 86 | 49% | 0.486 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62 | -40.3 | 176.8 | -170.9 | -177.2 | 22.1 | 0 | 0 | 111.9 | K136 K137 L138 K144 | K136-Q140 WeakPolarHBondContact O-CB 3.35Å; K136-Q140 PolarHBondContact O-N 2.83Å; K137-Q140 WeakPolarHBondContact O-CB 3.49Å; K137-Q140 PolarHBondContact O-N 3.43Å; L138-Q140 VanDerWaalsContact C-N 3.3Å; L138-Q140 PolarHBondContact O-N 2.96Å; Q140-K144 WeakPolarHBondContact O-CB 3.35Å; Q140-K144 VanDerWaalsContact O-CG 3.3Å; Q140-K144 WeakPolarHBondContact O-CG 3.4Å; Q140-K144 PolarHBondContact O-N 2.86Å |
| 141 | Y | 94.7 | Very high | 87.9 | Confident | 35 Ų | 35 | 90.7 Ų | 90.7 | 14% | 0.137 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -71.3 | -42 | 177.9 | -66 | -31.8 | 0 | 0 | 0 | 112.8 | L76 K79 I80 V83 K137 L138 E139 R143 K144 M145 | L76-Y141 HydrophobicContact CD1-CD1 3.54Å; L76-Y141 HydrophobicContact CD1-CE1 4.3Å; L76-Y141 HydrophobicContact CD1-CG 3.85Å; K79-Y141 HydrophobicContact CB-CD2 4.01Å; K79-Y141 HydrophobicContact CB-CE2 3.77Å; K79-Y141 HydrophobicContact CD-CE1 4.4Å; I80-Y141 VanDerWaalsContact CG1-CB 3.47Å; I80-Y141 HydrophobicContact CG1-CD2 4.39Å; I80-Y141 HydrophobicContact CG1-CG 4.36Å; V83-Y141 HydrophobicContact CG2-CD2 4.39Å; V83-Y141 HydrophobicContact CG2-CE2 3.93Å; K137-Y141 HydrophobicContact CD-CE2 4.18Å; K137-Y141 WeakPolarHBondContact CE-OH 3.44Å; K137-Y141 HydrophobicContact CG-CD2 4.25Å; K137-Y141 HydrophobicContact CG-CE2 3.65Å; K137-Y141 WeakPolarHBondContact O-CD2 3.3Å; K137-Y141 PolarHBondContact O-N 3.16Å; L138-Y141 PolarHBondContact O-N 3.35Å; L138-Y141 VanDerWaalsContact O-N 3.13Å; E139-Y141 VanDerWaalsContact C-N 3.33Å; E139-Y141 PolarHBondContact O-N 3.28Å; Y141-R143 VanDerWaalsContact C-N 3.3Å; Y141-R143 PolarHBondContact O-N 2.95Å; Y141-K144 PolarHBondContact O-N 3.41Å; Y141-M145 PolarHBondContact O-N 3.25Å |
| 142 | H | 91.9 | Very high | 86 | Confident | 86 Ų | 86 | 95.3 Ų | 95.3 | 40% | 0.398 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 173.1 | -80.8 | -69.9 | 0 | 0 | 0 | 112.1 | L138 E139 M145 K146 | L138-H142 VanDerWaalsContact CD2-CD2 3.43Å; L138-H142 WeakPolarHBondContact CD2-CD2 3.5Å; L138-H142 PolarHBondContact O-CD2 2.93Å; L138-H142 VanDerWaalsContact O-CD2 3.24Å; L138-H142 PolarHBondContact O-N 3.04Å; E139-H142 PolarHBondContact O-N 3.37Å; H142-M145 PolarHBondContact O-N 3.46Å; H142-K146 PolarHBondContact O-N 3.43Å |
| 143 | R | 92 | Very high | 83.2 | Confident | 182 Ų | 182 | 97 Ų | 97 | 69% | 0.687 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.4 | -45.6 | 175.3 | -170 | 171.5 | -177.3 | -169.1 | 1.7 | 111.6 | E139 Y141 M145 K146 D147 | E139-R143 WeakPolarHBondContact O-CB 3.42Å; E139-R143 PolarHBondContact O-N 2.67Å; Y141-R143 VanDerWaalsContact C-N 3.3Å; Y141-R143 PolarHBondContact O-N 2.95Å; R143-M145 VanDerWaalsContact C-N 3.33Å; R143-M145 PolarHBondContact O-N 3.04Å; R143-K146 PolarHBondContact O-N 2.85Å; R143-D147 WeakPolarHBondContact O-CB 3.46Å; R143-D147 PolarHBondContact O-N 3.15Å |
| 144 | K | 90.5 | Very high | 80.7 | Confident | 97 Ų | 97 | 95.8 Ų | 95.8 | 42% | 0.422 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.4 | -36 | 175.9 | -76.1 | 179.4 | 177.2 | -171.7 | 0 | 113.2 | L76 Q140 Y141 S148 | L76-K144 HydrophobicContact CD2-CB 3.68Å; Q140-K144 WeakPolarHBondContact O-CB 3.35Å; Q140-K144 VanDerWaalsContact O-CG 3.3Å; Q140-K144 WeakPolarHBondContact O-CG 3.4Å; Q140-K144 PolarHBondContact O-N 2.86Å; Y141-K144 PolarHBondContact O-N 3.41Å; K144-S148 WeakPolarHBondContact O-CB 3.5Å; K144-S148 PolarHBondContact O-N 3.02Å; K144-S148 VanDerWaalsContact O-N 3.09Å; K144-S148 PolarHBondContact O-OG 2.91Å |
| 145 | M | 86.4 | Confident | 78.1 | Confident | 41 Ų | 41 | 100.7 Ų | 100.7 | 20% | 0.202 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -64.6 | -49.8 | 174.5 | -76.9 | -152.8 | -45.5 | 0 | 0 | 110.4 | L76 Q77 I80 Y141 H142 R143 D147 S148 E149 | L76-M145 HydrophobicContact CB-CG 4.14Å; L76-M145 HydrophobicContact CD2-CB 4.13Å; L76-M145 HydrophobicContact CD2-CG 3.33Å; L76-M145 HydrophobicContact CG-CG 3.49Å; L76-M145 VanDerWaalsContact CG-CG 3.49Å; L76-M145 HydrophobicContact CG-SD 4.41Å; Q77-M145 HydrophobicContact CG-SD 3.64Å; I80-M145 HydrophobicContact CD1-CE 3.28Å; I80-M145 HydrophobicContact CD1-CG 3.79Å; I80-M145 HydrophobicContact CD1-SD 3.42Å; I80-M145 WeakPolarHBondContact CD1-SD 3.44Å; Y141-M145 PolarHBondContact O-N 3.25Å; H142-M145 PolarHBondContact O-N 3.46Å; R143-M145 VanDerWaalsContact C-N 3.33Å; R143-M145 PolarHBondContact O-N 3.04Å; M145-D147 VanDerWaalsContact C-N 3.32Å; M145-D147 PolarHBondContact O-N 3.2Å; M145-S148 PolarHBondContact O-N 3.38Å; M145-S148 VanDerWaalsContact O-N 3.1Å; M145-E149 PolarHBondContact O-N 3.32Å |
| 146 | K | 85.4 | Confident | 75.4 | Confident | 145 Ų | 145 | 103 Ų | 103 | 63% | 0.63 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.2 | -41.5 | 179.8 | -169.3 | 175.8 | -178.7 | 178 | 0 | 112.2 | H142 R143 S148 E149 V150 | H142-K146 PolarHBondContact O-N 3.43Å; R143-K146 PolarHBondContact O-N 2.85Å; K146-S148 VanDerWaalsContact C-N 3.31Å; K146-S148 PolarHBondContact O-N 3.18Å; K146-E149 PolarHBondContact O-N 3.48Å; K146-V150 VanDerWaalsContact O-CG2 3.25Å; K146-V150 WeakPolarHBondContact O-CG2 3.3Å; K146-V150 PolarHBondContact O-N 3.35Å; K146-V150 VanDerWaalsContact O-N 3.11Å |
| 147 | D | 81.3 | Confident | 72.7 | Confident | 90 Ų | 90 | 106.9 Ų | 106.9 | 48% | 0.481 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.1 | -31.9 | 177.9 | -64.4 | -20.1 | 0 | 0 | 0 | 111.9 | R143 M145 L151 | R143-D147 WeakPolarHBondContact O-CB 3.46Å; R143-D147 PolarHBondContact O-N 3.15Å; M145-D147 VanDerWaalsContact C-N 3.32Å; M145-D147 PolarHBondContact O-N 3.2Å; D147-L151 PolarHBondContact O-N 3Å |
| 148 | S | 77.3 | Confident | 70.1 | Confident | 42 Ų | 42 | 108.1 Ų | 108.1 | 29% | 0.294 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -77.7 | -25.1 | 177.8 | -56.7 | 0 | 0 | 0 | 0 | 113.4 | K144 M145 K146 Q152 | K144-S148 WeakPolarHBondContact O-CB 3.5Å; K144-S148 PolarHBondContact O-N 3.02Å; K144-S148 VanDerWaalsContact O-N 3.09Å; K144-S148 PolarHBondContact O-OG 2.91Å; M145-S148 PolarHBondContact O-N 3.38Å; M145-S148 VanDerWaalsContact O-N 3.1Å; K146-S148 VanDerWaalsContact C-N 3.31Å; K146-S148 PolarHBondContact O-N 3.18Å; S148-Q152 PolarHBondContact O-NE2 3.18Å |
| 149 | E | 69.6 | Low | 67.5 | Low | 139 Ų | 139 | 113.4 Ų | 113.4 | 65% | 0.65 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -79.3 | -38.4 | 174.8 | -168 | 179.2 | 179 | 0 | 0 | 111.4 | M145 K146 L151 Q152 | M145-E149 PolarHBondContact O-N 3.32Å; K146-E149 PolarHBondContact O-N 3.48Å; E149-L151 VanDerWaalsContact C-N 3.27Å; E149-L151 PolarHBondContact O-N 2.87Å; E149-Q152 PolarHBondContact O-N 3.44Å; E149-Q152 VanDerWaalsContact O-N 3.15Å |
| 150 | V | 61.9 | Low | 64.6 | Low | 102 Ų | 102 | 112.9 Ų | 112.9 | 62% | 0.618 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.2 | -31.1 | 176.8 | 170.8 | 0 | 0 | 0 | 0 | 112.2 | K146 Q152 | K146-V150 VanDerWaalsContact O-CG2 3.25Å; K146-V150 WeakPolarHBondContact O-CG2 3.3Å; K146-V150 PolarHBondContact O-N 3.35Å; K146-V150 VanDerWaalsContact O-N 3.11Å; V150-Q152 VanDerWaalsContact C-N 3.26Å; V150-Q152 PolarHBondContact O-N 3.02Å |
| 151 | L | 57.3 | Low | 61.8 | Low | 158 Ų | 158 | 112.7 Ų | 112.7 | 83% | 0.827 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -12.6 | 177.7 | -139 | 75.6 | 0 | 0 | 0 | 113.8 | D147 E149 | D147-L151 PolarHBondContact O-N 3Å; E149-L151 VanDerWaalsContact C-N 3.27Å; E149-L151 PolarHBondContact O-N 2.87Å |
| 152 | Q | 54.9 | Low | 59.2 | Low | 110 Ų | 110 | 121.1 Ų | 121.1 | 51% | 0.514 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.4 | -0.2 | 178.7 | -70 | 177.9 | 50.6 | 0 | 0 | 113.4 | S148 E149 V150 | S148-Q152 PolarHBondContact O-NE2 3.18Å; E149-Q152 PolarHBondContact O-N 3.44Å; E149-Q152 VanDerWaalsContact O-N 3.15Å; V150-Q152 VanDerWaalsContact C-N 3.26Å; V150-Q152 PolarHBondContact O-N 3.02Å |
| 153 | S | 38.5 | Very low | 56.3 | Low | 88 Ų | 88 | 128.8 Ų | 128.8 | 62% | 0.615 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -90.4 | 124 | 175.3 | -175.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 154 | P | 43.6 | Very low | 53.4 | Low | 105 Ų | 105 | 124.7 Ų | 124.7 | 68% | 0.682 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 144.4 | 173 | -4 | 17.5 | 0 | 0 | 0 | 110.8 | ||
| 155 | P | 41.1 | Very low | 50.6 | Low | 115 Ų | 115 | 125.4 Ų | 125.4 | 75% | 0.747 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 143.8 | 176.9 | 25.9 | -33.1 | 0 | 0 | 0 | 111.3 | R157 | P155-R157 PolarHBondContact O-N 3.09Š|
| 156 | P | 39.3 | Very low | 48.4 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 124.9 | 178.9 | 25.5 | -30.3 | 0 | 0 | 0 | 110.4 | ||
| 157 | R | 40.6 | Very low | 46.2 | Very low | 238 Ų | 238 | 128.9 Ų | 128.9 | 90% | 0.898 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -67 | 131.5 | 172.6 | -73.6 | -176.1 | -75.5 | -168.4 | -3.7 | 109.9 | P155 | P155-R157 PolarHBondContact O-N 3.09Š|
| 158 | P | 39.8 | Very low | 43.9 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 149.9 | 171.3 | 29.3 | -31.9 | 0 | 0 | 0 | 111 | ||
| 159 | P | 40.8 | Very low | 41.7 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -74 | 144.9 | -178.4 | 30.2 | -33 | 0 | 0 | 0 | 112 | A161 | P159-A161 PolarHBondContact O-N 2.7Š|
| 160 | S | 34.5 | Very low | 40.1 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 119.5 | -178 | 53.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 161 | A | 36 | Very low | 39 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 126.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | P159 | P159-A161 PolarHBondContact O-N 2.7Š|
| 162 | K | 39.6 | Very low | 37.8 | Very low | 212 Ų | 212 | 143.6 Ų | 143.6 | 92% | 0.922 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 142.1 | 177.6 | -65.9 | 175.5 | 179.6 | 177.9 | 0 | 110.8 | ||
| 163 | R | 31.2 | Very low | 36.6 | Very low | 247 Ų | 247 | 146.1 Ų | 146.1 | 93% | 0.932 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 152.5 | 179.3 | 179.5 | 163.3 | -175.3 | 130.7 | -1.9 | 112.2 | ||
| 164 | S | 30.7 | Very low | 36.1 | Very low | 96 Ų | 96 | 148.4 Ų | 148.4 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | trans | 142.4 | 130.7 | 150.4 | -162.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 165 | T | 33 | Very low | 35.6 | Very low | 113 Ų | 113 | 154.2 Ų | 154.2 | 69% | 0.693 | 80% | 0.795 | S | S | * | * | cis | -173.1 | 130.9 | 22.4 | 0.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 166 | I | 40.5 | Very low | 35.2 | Very low | 154 Ų | 154 | 155.6 Ų | 155.6 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | 63 | 165.4 | 150.3 | -9.4 | 177.4 | 0 | 0 | 0 | 120.5 | ||||
| 167 | P | 37.8 | Very low | 35.1 | Very low | 104 Ų | 104 | 158.2 Ų | 158.2 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | -133.4 | 167.3 | -96.4 | 43.9 | -26.5 | 0 | 0 | 0 | 116.4 | |||||
| 168 | R | 34.2 | Very low | 34.5 | Very low | 228 Ų | 228 | 152.9 Ų | 152.9 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | 52.8 | 118.9 | 140.1 | -167.3 | 178.3 | -169.8 | 150.3 | 2.1 | 118 | ||||
| 169 | E | 29.9 | Very low | 33.9 | Very low | 186 Ų | 186 | 152.3 Ų | 152.3 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | -162.9 | 140.1 | 117.5 | -78.6 | -125.7 | 148.9 | 0 | 0 | 109.7 | |||||
| 170 | S | 36.1 | Very low | 33.4 | Very low | 105 Ų | 105 | 151.7 Ų | 151.7 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -129.7 | 136.5 | 170.9 | 51.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 171 | P | 40.6 | Very low | 33 | Very low | 102 Ų | 102 | 149.1 Ų | 149.1 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | -149.8 | 140.1 | 118.9 | 32.2 | -13.3 | 0 | 0 | 0 | 115.4 | |||||
| 172 | R | 31.5 | Very low | 32.7 | Very low | 220 Ų | 220 | 155.8 Ų | 155.8 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | 54.2 | 129.6 | 129.6 | -63.2 | 178.2 | 175.5 | 144.1 | -1.2 | 120.8 | |||||
| 173 | Q | 29.9 | Very low | 32.2 | Very low | 162 Ų | 162 | 153.9 Ų | 153.9 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | 95.3 | 121.2 | 126.8 | -88 | 179.2 | 34.7 | 0 | 0 | 121.2 | |||||
| 174 | L | 28.3 | Very low | 32.9 | Very low | 137 Ų | 137 | 147.1 Ų | 147.1 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | 84.5 | 125.1 | 128.5 | -130.1 | 93.3 | 0 | 0 | 0 | 121.2 | |||||
| 175 | R | 31.3 | Very low | 33 | Very low | 227 Ų | 227 | 148.4 Ų | 148.4 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | 103.3 | 133.4 | 129 | -123.4 | -179 | -162.1 | 173.2 | 0.9 | 120.2 | |||||
| 176 | D | 34.2 | Very low | 33 | Very low | 144 Ų | 144 | 149.9 Ų | 149.9 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -72.2 | 170.2 | -178.1 | -58.4 | -62.5 | 0 | 0 | 0 | 116.4 | ||||
| 177 | M | 35.6 | Very low | 32.5 | Very low | 181 Ų | 181 | 149.2 Ų | 149.2 | 89% | 0.892 | 77% | 0.772 | S | S | * | * | trans | 76.3 | 131.3 | 159.8 | -60.9 | 172.1 | 154.1 | 0 | 0 | 115.2 | ||||
| 178 | T | 29.6 | Very low | 32.6 | Very low | 126 Ų | 126 | 152.3 Ų | 152.3 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | -165.4 | 150.8 | 55.4 | 67.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 179 | S | 27.6 | Very low | 32.6 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 38.1 | 135.9 | 137.1 | 83.5 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 180 | S | 29.1 | Very low | 33 | Very low | 115 Ų | 115 | 150.1 Ų | 150.1 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | 104.1 | 132.6 | 121.7 | -158.8 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 181 | G | 26.4 | Very low | 32.9 | Very low | 65 Ų | 65 | 150.6 Ų | 150.6 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | trans | 136.7 | 79.4 | 156.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 182 | R | 29.6 | Very low | 32.6 | Very low | 241 Ų | 241 | 153.6 Ų | 153.6 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | 85.3 | 121.7 | 87.4 | -78.8 | -175.5 | -178.3 | 178.2 | 1.5 | 116.3 | |||||
| 183 | H | 29.8 | Very low | 32.7 | Very low | 171 Ų | 171 | 146.5 Ų | 146.5 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | trans | -48.6 | 162.4 | 152.4 | -137.8 | -116.3 | 0 | 0 | 0 | 111.3 | ||||
| 184 | P | 44.9 | Very low | 33.2 | Very low | 106 Ų | 106 | 145.4 Ų | 145.4 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | -144.3 | 175.9 | 52.7 | 31.9 | -5.3 | 0 | 0 | 0 | 114.6 | |||||
| 185 | T | 33.1 | Very low | 33.2 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | -175.1 | 152.8 | 64.9 | 40.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 186 | M | 33.2 | Very low | 33.2 | Very low | 144 Ų | 144 | 138.3 Ų | 138.3 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | trans | -76.4 | 154.6 | 167.3 | -74.5 | 172.3 | 49.7 | 0 | 0 | 111.5 | ||||
| 187 | D | 29.9 | Very low | 33 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | 177.6 | 163.2 | 105.7 | -104 | -44.6 | 0 | 0 | 0 | 115.2 | |||||
| 188 | K | 40.8 | Very low | 32.8 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 74% | 0.735 | 79% | 0.789 | S | S | * | * | trans | -82 | 145.9 | -162.5 | -58.5 | 144.6 | 176.3 | -178.9 | 0 | 113.3 | ||||
| 189 | I | 34.2 | Very low | 32.9 | Very low | 172 Ų | 172 | 136 Ų | 136 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | -136 | 124.4 | 143.2 | -59.1 | 179.1 | 0 | 0 | 0 | 109.6 | ||||
| 190 | K | 37.3 | Very low | 33.4 | Very low | 197 Ų | 197 | 136 Ų | 136 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | -113.3 | 123 | 170.3 | -176 | -174.2 | -172.4 | -173.5 | 0 | 104.7 | ||||
| 191 | T | 33.9 | Very low | 34 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -170.1 | 108.9 | 159.9 | -76.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 192 | I | 34.4 | Very low | 34.4 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | 66 | 123.4 | 135.1 | -52 | 175 | 0 | 0 | 0 | 119.7 | ||||
| 193 | G | 32.9 | Very low | 34.7 | Very low | 72 Ų | 72 | 138.9 Ų | 138.9 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | -80.6 | -145 | -168.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 194 | P | 40.1 | Very low | 34.9 | Very low | 138 Ų | 138 | 140 Ų | 140 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | cis | -127.2 | 166.4 | -2.6 | 40.1 | -23.8 | 0 | 0 | 0 | 114.7 | ||||
| 195 | G | 29.7 | Very low | 34.4 | Very low | 71 Ų | 71 | 139.8 Ų | 139.8 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | trans | 157.1 | 84.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 196 | V | 29.9 | Very low | 34.7 | Very low | 145 Ų | 145 | 143.4 Ų | 143.4 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | 4.3 | 121.2 | 149.8 | -78.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 197 | S | 30.3 | Very low | 34.9 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | -161.2 | 139.2 | 120.4 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 198 | L | 32.1 | Very low | 35.5 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | trans | -90.4 | 127.5 | -168.9 | -65 | 152.7 | 0 | 0 | 0 | 110.5 | ||||
| 199 | S | 32.4 | Very low | 35.5 | Very low | 116 Ų | 116 | 146.3 Ų | 146.3 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -160.9 | 116.9 | 144 | -154.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 200 | P | 37.7 | Very low | 35.9 | Very low | 108 Ų | 108 | 147.4 Ų | 147.4 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 154.6 | 176.4 | -12.4 | 28.6 | 0 | 0 | 0 | 113.4 | ||
| 201 | P | 42.3 | Very low | 35.8 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 136.1 | 179.1 | 33.3 | -31.9 | 0 | 0 | 0 | 112 | F203 | P201-F203 HydrophobicContact CB-CE2 4.44Å; P201-F203 HydrophobicContact CG-CD2 4.46Å; P201-F203 HydrophobicContact CG-CE2 4.16Å |
| 202 | F | 34.3 | Very low | 36.1 | Very low | 215 Ų | 215 | 143.9 Ų | 143.9 | 94% | 0.943 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 122.7 | 168.7 | -83 | -84.9 | 0 | 0 | 0 | 110.9 | ||
| 203 | F | 35.3 | Very low | 36.7 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | -109.7 | 158.4 | 166.8 | -80.5 | -95.4 | 0 | 0 | 0 | 110.4 | P201 | P201-F203 HydrophobicContact CB-CE2 4.44Å; P201-F203 HydrophobicContact CG-CD2 4.46Å; P201-F203 HydrophobicContact CG-CE2 4.16Å | ||
| 204 | F | 34.1 | Very low | 37.2 | Very low | 194 Ų | 194 | 148 Ų | 148 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | 74.1 | 141.3 | 165.8 | -72.5 | -82.7 | 0 | 0 | 0 | 116.5 | ||||
| 205 | S | 35 | Very low | 37.3 | Very low | 102 Ų | 102 | 150.4 Ų | 150.4 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | cis | -166.6 | 141.8 | 10.9 | 31.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 206 | K | 39.5 | Very low | 38 | Very low | 200 Ų | 200 | 154.7 Ų | 154.7 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | -68.1 | 158.8 | 157.7 | -73.9 | 173.7 | 173.7 | 171.8 | 0 | 109.9 | ||||
| 207 | P | 35.9 | Very low | 38.3 | Very low | 128 Ų | 128 | 154.1 Ų | 154.1 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | trans | -114.3 | 138.9 | 132 | 25.7 | -11.8 | 0 | 0 | 0 | 110.8 | ||||
| 208 | R | 43.5 | Very low | 38.4 | Very low | 228 Ų | 228 | 157.3 Ų | 157.3 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -90.4 | 168.9 | 170.5 | -166.3 | 175.2 | -173.8 | 164.3 | -0.6 | 107.3 | ||||
| 209 | E | 41.4 | Very low | 38.3 | Very low | 156 Ų | 156 | 153.1 Ų | 153.1 | 73% | 0.729 | 79% | 0.785 | S | S | * | * | trans | 99 | 119.7 | 170.4 | -53.3 | -176.7 | -165.3 | 0 | 0 | 113.5 | ||||
| 210 | F | 42.2 | Very low | 38.5 | Very low | 195 Ų | 195 | 153.9 Ų | 153.9 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | cis | -133.5 | 151.6 | 28.7 | -84.6 | -95.5 | 0 | 0 | 0 | 114.1 | ||||
| 211 | A | 34.8 | Very low | 38.4 | Very low | 80 Ų | 80 | 153.4 Ų | 153.4 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | trans | -88.3 | 153.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 212 | N | 39.7 | Very low | 38.1 | Very low | 159 Ų | 159 | 155.4 Ų | 155.4 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | 44.6 | 114.7 | 143.4 | -64.1 | -31.4 | 0 | 0 | 0 | 119.3 | ||||
| 213 | L | 47.1 | Very low | 38.3 | Very low | 162 Ų | 162 | 151.8 Ų | 151.8 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | 164.6 | 135.4 | 113.1 | -168.4 | 63.1 | 0 | 0 | 0 | 110.1 | |||||
| 214 | I | 44.8 | Very low | 38.4 | Very low | 159 Ų | 159 | 151.9 Ų | 151.9 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | trans | 131.8 | 68.9 | 170.3 | -67.3 | 157.1 | 0 | 0 | 0 | 106.2 | ||||
| 215 | R | 41 | Very low | 38.5 | Very low | 190 Ų | 190 | 146.8 Ų | 146.8 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | 58.5 | 90.5 | 84.6 | -166.7 | 173.8 | 175.9 | 128.2 | -11.7 | 111.3 | K217 | R215-K217 HydrophobicContact CG-CG 4.38Å; R215-K217 PolarHBondContact O-N 3.22Å | |||
| 216 | N | 43.7 | Very low | 38.4 | Very low | 161 Ų | 161 | 150.1 Ų | 150.1 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -46.2 | 118.4 | 149.4 | -151.3 | -7.8 | 0 | 0 | 0 | 109.8 | ||||
| 217 | K | 36.2 | Very low | 38.1 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 57% | 0.574 | 79% | 0.794 | S | S | * | * | trans | -156.4 | 112.5 | 152.7 | -82.4 | -147.4 | -179.5 | -69.8 | 0 | 110.1 | R215 | R215-K217 HydrophobicContact CG-CG 4.38Å; R215-K217 PolarHBondContact O-N 3.22Å | ||
| 218 | F | 33.5 | Very low | 38.1 | Very low | 190 Ų | 190 | 152.5 Ų | 152.5 | 83% | 0.833 | 80% | 0.799 | S | S | * | * | trans | 60.7 | 127.9 | 138.8 | -77.3 | -90.8 | 0 | 0 | 0 | 119.9 | ||||
| 219 | G | 29.8 | Very low | 37.4 | Very low | 75 Ų | 75 | 145.8 Ų | 145.8 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | 162.6 | 69.4 | 152.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A221 | G219-A221 PolarHBondContact O-N 2.99Š| ||
| 220 | S | 36.6 | Very low | 36.7 | Very low | 133 Ų | 133 | 146.5 Ų | 146.5 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | -64.3 | 125.8 | 151.6 | -65.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 221 | A | 35.5 | Very low | 36.2 | Very low | 97 Ų | 97 | 143.9 Ų | 143.9 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -150.3 | 113.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | G219 | G219-A221 PolarHBondContact O-N 2.99Š| ||
| 222 | D | 36 | Very low | 35.8 | Very low | 145 Ų | 145 | 146.6 Ų | 146.6 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | -54.8 | 160.5 | 163.7 | -82.6 | -62.2 | 0 | 0 | 0 | 113.4 | ||||
| 223 | N | 38 | Very low | 35.3 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | trans | 83.2 | 107.9 | 155.9 | -59 | -51.6 | 0 | 0 | 0 | 119.2 | ||||
| 224 | I | 37.5 | Very low | 34.4 | Very low | 164 Ų | 164 | 141.6 Ų | 141.6 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | -132.5 | 105.8 | 116.6 | -59.5 | -175.4 | 0 | 0 | 0 | 108.2 | |||||
| 225 | A | 37.1 | Very low | 33.7 | Very low | 86 Ų | 86 | 138.8 Ų | 138.8 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | -78.5 | 112.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 226 | Q | 33.3 | Very low | 33 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -164 | 109 | 155.1 | -77 | -144.9 | -23.5 | 0 | 0 | 110.1 | ||||
| 227 | L | 32.8 | Very low | 32.5 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | 156 | 88.8 | 133.4 | -92.4 | 141.4 | 0 | 0 | 0 | 110.4 | ||||
| 228 | K | 34.7 | Very low | 32.3 | Very low | 214 Ų | 214 | 132.6 Ų | 132.6 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | -120.4 | 98.1 | 154.9 | -149.4 | -176.7 | -171 | -176 | 0 | 106 | ||||
| 229 | S | 29.7 | Very low | 32.2 | Very low | 88 Ų | 88 | 126.9 Ų | 126.9 | 62% | 0.615 | 80% | 0.801 | S | S | * | * | trans | -165.6 | 91.7 | 160.9 | 64.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 230 | N | 26 | Very low | 32.4 | Very low | 170 Ų | 170 | 133 Ų | 133 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | -159.2 | 100 | 119.4 | -103.4 | -4.5 | 0 | 0 | 0 | 108.3 | |||||
| 231 | L | 31.9 | Very low | 32 | Very low | 141 Ų | 141 | 132 Ų | 132 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | trans | -89.7 | 140.8 | 167.3 | 174.4 | 69.4 | 0 | 0 | 0 | 106.8 | ||||
| 232 | D | 27.6 | Very low | 31.9 | Very low | 137 Ų | 137 | 135 Ų | 135 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | 63.7 | 121.6 | 153 | -64.8 | -18.4 | 0 | 0 | 0 | 121.7 | ||||
| 233 | A | 28.6 | Very low | 31.6 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | -168.5 | 110.3 | 107.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 234 | S | 27 | Very low | 31.1 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | 93.4 | 134.7 | 108.3 | -154.1 | 0 | 0 | 0 | 0 | 111 | |||||
| 235 | S | 30.8 | Very low | 30.8 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | cis | -161.4 | 125.4 | 27 | 173.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 236 | D | 27.6 | Very low | 30.6 | Very low | 165 Ų | 165 | 131 Ų | 131 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | 69.9 | 119.3 | 88.7 | -118.6 | -0.8 | 0 | 0 | 0 | 115.1 | |||||
| 237 | G | 31.2 | Very low | 30.4 | Very low | 78 Ų | 78 | 127.2 Ų | 127.2 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 179.9 | 87.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 238 | A | 32.1 | Very low | 30.6 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -65.4 | 159.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 239 | G | 32.2 | Very low | 30.5 | Very low | 70 Ų | 70 | 123.7 Ų | 123.7 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | 156.6 | 70.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 240 | K | 34 | Very low | 30.6 | Very low | 203 Ų | 203 | 124.8 Ų | 124.8 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | 65.6 | 123.4 | 106.1 | -100.5 | -171.8 | 178.1 | -177 | 0 | 116.6 | |||||
| 241 | V | 28.6 | Very low | 30.7 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 68% | 0.679 | 79% | 0.786 | S | S | * | * | trans | 105.1 | 104 | 135 | 173.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 242 | L | 33.9 | Very low | 30.6 | Very low | 162 Ų | 162 | 123.2 Ų | 123.2 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | 67.1 | 154 | 140.2 | -52.7 | 172.3 | 0 | 0 | 0 | 119.3 | ||||
| 243 | S | 28.4 | Very low | 30.6 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | cis | 173.7 | 148.5 | -26.6 | -167.7 | 0 | 0 | 0 | 0 | 105 | ||||
| 244 | S | 29 | Very low | 31 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | 77 | 112.5 | 164.5 | -135.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 245 | S | 30.9 | Very low | 31.5 | Very low | 103 Ų | 103 | 131 Ų | 131 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | 68.8 | 107.7 | 59.7 | -64.7 | 0 | 0 | 0 | 0 | 115 | |||||
| 246 | T | 32.1 | Very low | 31.5 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | trans | 164.2 | 112.4 | 137.9 | 47.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 247 | S | 29.6 | Very low | 32.1 | Very low | 92 Ų | 92 | 128.2 Ų | 128.2 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | 65 | 100.2 | 68.6 | 78 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 248 | L | 37.6 | Very low | 32.5 | Very low | 164 Ų | 164 | 131.9 Ų | 131.9 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | trans | 61.2 | 127.7 | 135.4 | -34.3 | 159.9 | 0 | 0 | 0 | 119.4 | ||||
| 249 | V | 32.3 | Very low | 32.9 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | 179 | 141.9 | 100.3 | 153.2 | 0 | 0 | 0 | 0 | 111 | |||||
| 250 | S | 30.3 | Very low | 33.2 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -82.6 | 140.1 | 178.4 | 40.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 251 | K | 28.5 | Very low | 33.2 | Very low | 188 Ų | 188 | 134.5 Ų | 134.5 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | trans | -40 | 130 | 171.7 | -164.6 | 167.3 | -173.6 | 118.5 | 0 | 117 | ||||
| 252 | A | 29.4 | Very low | 33.9 | Very low | 91 Ų | 91 | 134.2 Ų | 134.2 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -81.4 | 148.3 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 253 | K | 29.4 | Very low | 33.9 | Very low | 202 Ų | 202 | 134.8 Ų | 134.8 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | trans | -131.9 | 108.9 | 172.8 | -169.9 | 152.5 | -176.8 | 172.6 | 0 | 109.4 | ||||
| 254 | Y | 35.8 | Very low | 34.3 | Very low | 195 Ų | 195 | 135 Ų | 135 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | -73.1 | 156.6 | 161.5 | -96.6 | -88.6 | 0 | 0 | 0 | 110.4 | ||||
| 255 | P | 37.2 | Very low | 35 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | -144.7 | 142.3 | 77.4 | 40.4 | -22.2 | 0 | 0 | 0 | 113.3 | |||||
| 256 | S | 32.5 | Very low | 35.1 | Very low | 76 Ų | 76 | 137.7 Ų | 137.7 | 53% | 0.531 | 79% | 0.793 | S | S | . | * | 44.2 | 127.9 | 66.8 | -89.8 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 257 | D | 40.2 | Very low | 35.7 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | cis | -163.6 | -175.3 | -5.2 | -60.8 | -49.4 | 0 | 0 | 0 | 107.1 | ||||
| 258 | D | 39 | Very low | 36.3 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | 102 | 97.7 | 159.6 | -60.6 | -27.1 | 0 | 0 | 0 | 118.3 | ||||
| 259 | E | 40.3 | Very low | 36.4 | Very low | 194 Ų | 194 | 134.8 Ų | 134.8 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | -152.2 | 123.8 | 127.9 | -87.5 | -69.5 | 99.9 | 0 | 0 | 108.2 | |||||
| 260 | C | 38.3 | Very low | 36.6 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -53.8 | 147.7 | 174.1 | -84.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 261 | S | 34.9 | Very low | 37.4 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | -164.5 | 135 | 127.9 | -83.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 262 | S | 43.5 | Very low | 37.6 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -63.3 | 143.1 | 178.3 | 49.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 263 | I | 33.3 | Very low | 38.1 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -139.6 | 137.8 | 140.7 | -57.6 | -177.4 | 0 | 0 | 0 | 109 | ||||
| 264 | S | 36.6 | Very low | 38.3 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -72.3 | 162.6 | -161.4 | -48 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 265 | A | 42.8 | Very low | 38.4 | Very low | 89 Ų | 89 | 123.5 Ų | 123.5 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -50.8 | 149.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 266 | D | 32.8 | Very low | 38.4 | Very low | 174 Ų | 174 | 122.2 Ų | 122.2 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | -152.4 | 137.1 | 125.1 | -108 | -27.2 | 0 | 0 | 0 | 112 | |||||
| 267 | S | 46.6 | Very low | 38.5 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | trans | -102.9 | 131.4 | -178.1 | -177.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 268 | N | 41 | Very low | 38.5 | Very low | 162 Ų | 162 | 126.1 Ų | 126.1 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | trans | -159.2 | 110.3 | 150.2 | -136.6 | 39.9 | 0 | 0 | 0 | 111 | ||||
| 269 | G | 40.5 | Very low | 38.4 | Very low | 63 Ų | 63 | 122 Ų | 122 | 65% | 0.649 | 82% | 0.819 | S | S | * | * | trans | -74 | 147.3 | 156 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 270 | N | 36.8 | Very low | 38.2 | Very low | 156 Ų | 156 | 122.4 Ų | 122.4 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | -163.3 | 141.9 | 126.8 | -158.1 | 23.6 | 0 | 0 | 0 | 111.7 | |||||
| 271 | H | 45.3 | Very low | 38.1 | Very low | 180 Ų | 180 | 120.3 Ų | 120.3 | 83% | 0.833 | 82% | 0.82 | S | S | * | * | trans | -65.3 | 149.3 | 166.4 | -68.1 | -98.5 | 0 | 0 | 0 | 111.2 | ||||
| 272 | G | 34.2 | Very low | 38.6 | Very low | 80 Ų | 80 | 123.1 Ų | 123.1 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -176.1 | 102.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 273 | A | 38.8 | Very low | 38.5 | Very low | 114 Ų | 114 | 127 Ų | 127 | 94% | 0.942 | 83% | 0.826 | S | S | * | * | trans | -75.1 | 164.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 274 | G | 33.9 | Very low | 39.5 | Very low | 76 Ų | 76 | 124.2 Ų | 124.2 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | trans | 134.4 | 95 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 275 | G | 38.8 | Very low | 40 | Very low | 83 Ų | 83 | 123 Ų | 123 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | 80.8 | 120.1 | 63.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 276 | A | 35.4 | Very low | 40.5 | Very low | 91 Ų | 91 | 121.4 Ų | 121.4 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | cis | -168.2 | 147.9 | 33.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 277 | V | 35.6 | Very low | 41.5 | Very low | 150 Ų | 150 | 120.2 Ų | 120.2 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | -140.6 | 130.2 | 129.1 | 171.1 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 278 | V | 40.3 | Very low | 42.2 | Very low | 139 Ų | 139 | 117.9 Ų | 117.9 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | -69.9 | 141.7 | -177.1 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 279 | G | 35.9 | Very low | 43.5 | Very low | 67 Ų | 67 | 117.3 Ų | 117.3 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | 170.6 | 76.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 280 | Q | 36.5 | Very low | 45.1 | Very low | 204 Ų | 204 | 116 Ų | 116 | 95% | 0.953 | 78% | 0.781 | S | S | * | * | trans | 43.8 | 129.7 | 145.8 | -74.2 | 178 | -7.2 | 0 | 0 | 121.1 | ||||
| 281 | G | 37.4 | Very low | 47.1 | Very low | 77 Ų | 77 | 116.9 Ų | 116.9 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 133.8 | 83.6 | 145.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q283 | G281-Q283 PolarHBondContact O-N 3.39Š| ||
| 282 | Q | 43.6 | Very low | 49 | Very low | 182 Ų | 182 | 112.3 Ų | 112.3 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | trans | -55.6 | 114.7 | 165.2 | -169.5 | 92.1 | 38.3 | 0 | 0 | 110.8 | ||||
| 283 | Q | 42 | Very low | 51.5 | Low | 187 Ų | 187 | 114.9 Ų | 114.9 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | trans | -142.8 | 125.3 | 146.7 | -90.6 | -168 | -25.8 | 0 | 0 | 109.6 | G281 | G281-Q283 PolarHBondContact O-N 3.39Š| ||
| 284 | P | 54.6 | Low | 53.9 | Low | 117 Ų | 117 | 115.3 Ų | 115.3 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | trans | -91.4 | 136.2 | 176.3 | 34.7 | -27.7 | 0 | 0 | 0 | 110.3 | ||||
| 285 | G | 48 | Very low | 56.5 | Low | 87 Ų | 87 | 116.9 Ų | 116.9 | 90% | 0.897 | 72% | 0.716 | S | S | * | * | trans | 100.4 | 106.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 286 | G | 51.6 | Low | 59 | Low | 55 Ų | 55 | 120.2 Ų | 120.2 | 57% | 0.567 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -178.9 | -51.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G288 | G286-G288 PolarHBondContact O-N 3.38Š|
| 287 | D | 54.4 | Low | 61.7 | Low | 148 Ų | 148 | 119.2 Ų | 119.2 | 79% | 0.791 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -83.9 | -11.5 | -166.4 | -72 | -20 | 0 | 0 | 0 | 115.9 | H289 R291 | D287-H289 VanDerWaalsContact C-N 3.33Å; D287-R291 PolarHBondContact O-N 3.48Å |
| 288 | G | 61.6 | Low | 64.4 | Low | 57 Ų | 57 | 117 Ų | 117 | 59% | 0.588 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -72.6 | -27.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | G286 L292 | G286-G288 PolarHBondContact O-N 3.38Å; G288-L292 WeakPolarHBondContact O-CB 3.34Å; G288-L292 PolarHBondContact O-N 2.71Å; G288-L292 VanDerWaalsContact O-N 3.12Å |
| 289 | H | 67.6 | Low | 67 | Low | 150 Ų | 150 | 114.9 Ų | 114.9 | 69% | 0.694 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -76.2 | -43.1 | -176.2 | -157.4 | 65 | 0 | 0 | 0 | 111.6 | D287 L292 E293 | D287-H289 VanDerWaalsContact C-N 3.33Å; H289-L292 PolarHBondContact O-N 3.39Å; H289-E293 WeakPolarHBondContact O-CB 3.47Å; H289-E293 PolarHBondContact O-N 3.18Å |
| 290 | G | 74.5 | Confident | 69.8 | Low | 36 Ų | 36 | 118.4 Ų | 118.4 | 37% | 0.371 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -68.1 | -38.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | E293 L294 | G290-E293 PolarHBondContact O-N 3.04Å; G290-L294 WeakPolarHBondContact O-CG 3.48Å; G290-L294 PolarHBondContact O-N 3.08Å |
| 291 | R | 79.3 | Confident | 72.6 | Confident | 175 Ų | 175 | 114 Ų | 114 | 66% | 0.66 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.7 | -39.7 | 172.6 | -97.9 | -179.7 | 65.5 | 164.3 | -0.1 | 112.6 | D287 L294 F295 | D287-R291 PolarHBondContact O-N 3.48Å; R291-L294 PolarHBondContact O-N 3.01Å; R291-F295 WeakPolarHBondContact O-CD2 3.36Å; R291-F295 PolarHBondContact O-N 2.84Å |
| 292 | L | 84.7 | Confident | 75.3 | Confident | 84 Ų | 84 | 114.9 Ų | 114.9 | 44% | 0.44 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.9 | -39 | 177.4 | -177.3 | 64.2 | 0 | 0 | 0 | 111.2 | G288 H289 F295 Y296 | G288-L292 WeakPolarHBondContact O-CB 3.34Å; G288-L292 PolarHBondContact O-N 2.71Å; G288-L292 VanDerWaalsContact O-N 3.12Å; H289-L292 PolarHBondContact O-N 3.39Å; L292-F295 PolarHBondContact O-N 3.41Å; L292-Y296 HydrophobicContact CD1-CD2 4.14Å; L292-Y296 HydrophobicContact CD1-CE2 3.65Å; L292-Y296 HydrophobicContact CD2-CE2 4.01Å; L292-Y296 HydrophobicContact CG-CD2 3.86Å; L292-Y296 HydrophobicContact CG-CE2 3.53Å; L292-Y296 WeakPolarHBondContact O-CD2 3.37Å; L292-Y296 PolarHBondContact O-N 2.97Å |
| 293 | E | 87.1 | Confident | 77.8 | Confident | 134 Ų | 134 | 113.5 Ų | 113.5 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.2 | -44.2 | 174.1 | -166.3 | -171.9 | -158.5 | 0 | 0 | 111.9 | H289 G290 F295 Y296 E297 | H289-E293 WeakPolarHBondContact O-CB 3.47Å; H289-E293 PolarHBondContact O-N 3.18Å; G290-E293 PolarHBondContact O-N 3.04Å; E293-F295 VanDerWaalsContact C-N 3.34Å; E293-F295 PolarHBondContact O-N 3.41Å; E293-Y296 PolarHBondContact O-N 2.92Å; E293-Y296 VanDerWaalsContact O-N 3.13Å; E293-E297 PolarHBondContact O-N 3.23Å |
| 294 | L | 88.5 | Confident | 80.5 | Confident | 123 Ų | 123 | 111 Ų | 111 | 64% | 0.644 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60 | -41.2 | 174.8 | -70.5 | 170 | 0 | 0 | 0 | 112.5 | G290 R291 Y296 E297 E298 | G290-L294 WeakPolarHBondContact O-CG 3.48Å; G290-L294 PolarHBondContact O-N 3.08Å; R291-L294 PolarHBondContact O-N 3.01Å; L294-Y296 VanDerWaalsContact C-N 3.35Å; L294-E297 PolarHBondContact O-N 3.36Å; L294-E298 WeakPolarHBondContact O-CB 3.13Å; L294-E298 PolarHBondContact O-N 3.18Å |
| 295 | F | 90 | Very high | 82.5 | Confident | 108 Ų | 108 | 110.2 Ų | 110.2 | 47% | 0.474 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.9 | -36.4 | 174.5 | -76.4 | -59.6 | 0 | 0 | 0 | 112.6 | R291 L292 E293 E297 V299 | R291-F295 WeakPolarHBondContact O-CD2 3.36Å; R291-F295 PolarHBondContact O-N 2.84Å; L292-F295 PolarHBondContact O-N 3.41Å; E293-F295 VanDerWaalsContact C-N 3.34Å; E293-F295 PolarHBondContact O-N 3.41Å; F295-E297 VanDerWaalsContact C-N 3.34Å; F295-V299 WeakPolarHBondContact O-CB 3.46Å; F295-V299 VanDerWaalsContact O-CG2 3.22Å; F295-V299 WeakPolarHBondContact O-CG2 3.43Å; F295-V299 PolarHBondContact O-N 2.93Å |
| 296 | Y | 91.4 | Very high | 84.8 | Confident | 154 Ų | 154 | 112 Ų | 112 | 60% | 0.604 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.8 | -35.5 | 175 | -82.4 | -64.5 | 0 | 0 | 0 | 112.3 | L292 E293 L294 R300 | L292-Y296 HydrophobicContact CD1-CD2 4.14Å; L292-Y296 HydrophobicContact CD1-CE2 3.65Å; L292-Y296 HydrophobicContact CD2-CE2 4.01Å; L292-Y296 HydrophobicContact CG-CD2 3.86Å; L292-Y296 HydrophobicContact CG-CE2 3.53Å; L292-Y296 WeakPolarHBondContact O-CD2 3.37Å; L292-Y296 PolarHBondContact O-N 2.97Å; E293-Y296 PolarHBondContact O-N 2.92Å; E293-Y296 VanDerWaalsContact O-N 3.13Å; L294-Y296 VanDerWaalsContact C-N 3.35Å; Y296-R300 WeakPolarHBondContact O-CB 3.37Å; Y296-R300 PolarHBondContact O-N 3.33Å |
| 297 | E | 92.1 | Very high | 86.9 | Confident | 70 Ų | 70 | 112.1 Ų | 112.1 | 33% | 0.327 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.3 | -45.9 | 174.3 | -159.7 | 62.7 | -148.2 | 0 | 0 | 111.2 | E293 L294 F295 V299 R300 E301 | E293-E297 PolarHBondContact O-N 3.23Å; L294-E297 PolarHBondContact O-N 3.36Å; F295-E297 VanDerWaalsContact C-N 3.34Å; E297-V299 VanDerWaalsContact C-N 3.33Å; E297-V299 PolarHBondContact O-N 3.33Å; E297-R300 CarbonylContact O-C 3.4Å; E297-R300 WeakPolarHBondContact O-CA 3.22Å; E297-R300 VanDerWaalsContact O-CB 3.31Å; E297-R300 WeakPolarHBondContact O-CB 3.49Å; E297-R300 PolarHBondContact O-N 3.31Å; E297-R300 IonicContact OE1-CZ 2.82Å; E297-R300 IonicContact OE1-NH1 3.81Å; E297-R300 PolarHBondContact OE1-NH1 2.87Å; E297-R300 IonicContact OE2-CZ 3.7Å; E297-R300 IonicContact OE2-NH1 3.16Å; E297-R300 PolarHBondContact OE2-NH1 3.35Å; E297-R300 IonicContact OE2-NH2 2.86Å; E297-R300 PolarHBondContact OE2-NH2 3.48Å; E297-E301 PolarHBondContact O-N 3.2Å |
| 298 | E | 91.9 | Very high | 89 | Confident | 104 Ų | 104 | 109.7 Ų | 109.7 | 49% | 0.486 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 176.6 | -172.9 | 178.9 | -169 | 0 | 0 | 111.7 | L294 R300 E301 I302 | L294-E298 WeakPolarHBondContact O-CB 3.13Å; L294-E298 PolarHBondContact O-N 3.18Å; E298-R300 VanDerWaalsContact C-N 3.3Å; E298-R300 PolarHBondContact O-N 2.83Å; E298-E301 PolarHBondContact O-N 3.43Å; E298-I302 HydrophobicContact CG-CD1 4.02Å; E298-I302 WeakPolarHBondContact O-CB 3.49Å; E298-I302 WeakPolarHBondContact O-CD1 3.48Å; E298-I302 WeakPolarHBondContact O-CG1 3.18Å; E298-I302 PolarHBondContact O-N 3.24Å |
| 299 | V | 93.8 | Very high | 90.7 | Very high | 94 Ų | 94 | 112.5 Ų | 112.5 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.7 | -33.6 | 174.4 | 171 | 0 | 0 | 0 | 0 | 111.8 | F295 E297 K303 | F295-V299 WeakPolarHBondContact O-CB 3.46Å; F295-V299 VanDerWaalsContact O-CG2 3.22Å; F295-V299 WeakPolarHBondContact O-CG2 3.43Å; F295-V299 PolarHBondContact O-N 2.93Å; E297-V299 VanDerWaalsContact C-N 3.33Å; E297-V299 PolarHBondContact O-N 3.33Å; V299-K303 WeakPolarHBondContact O-CB 3.45Å; V299-K303 PolarHBondContact O-N 3.45Å; V299-K303 VanDerWaalsContact O-N 3.08Å |
| 300 | R | 94.6 | Very high | 92.2 | Very high | 141 Ų | 141 | 111 Ų | 111 | 53% | 0.532 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.4 | -47.5 | 174.3 | -173.3 | -169.9 | -60.5 | 147.7 | 10.5 | 110.8 | Y296 E297 E298 K303 E304 | Y296-R300 WeakPolarHBondContact O-CB 3.37Å; Y296-R300 PolarHBondContact O-N 3.33Å; E297-R300 CarbonylContact O-C 3.4Å; E297-R300 WeakPolarHBondContact O-CA 3.22Å; E297-R300 VanDerWaalsContact O-CB 3.31Å; E297-R300 WeakPolarHBondContact O-CB 3.49Å; E297-R300 PolarHBondContact O-N 3.31Å; E297-R300 IonicContact OE1-CZ 2.82Å; E297-R300 IonicContact OE1-NH1 3.81Å; E297-R300 PolarHBondContact OE1-NH1 2.87Å; E297-R300 IonicContact OE2-CZ 3.7Å; E297-R300 IonicContact OE2-NH1 3.16Å; E297-R300 PolarHBondContact OE2-NH1 3.35Å; E297-R300 IonicContact OE2-NH2 2.86Å; E297-R300 PolarHBondContact OE2-NH2 3.48Å; E298-R300 VanDerWaalsContact C-N 3.3Å; E298-R300 PolarHBondContact O-N 2.83Å; R300-K303 WeakPolarHBondContact O-CB 3.48Å; R300-K303 PolarHBondContact O-N 3Å; R300-E304 PolarHBondContact O-N 3.04Å |
| 301 | E | 95.5 | Very high | 93.3 | Very high | 110 Ų | 110 | 114.8 Ų | 114.8 | 51% | 0.514 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | 176.6 | -72.2 | -179.1 | -179.1 | 0 | 0 | 111.3 | E297 E298 K303 E304 V305 | E297-E301 PolarHBondContact O-N 3.2Å; E298-E301 PolarHBondContact O-N 3.43Å; E301-K303 VanDerWaalsContact C-N 3.26Å; E301-K303 PolarHBondContact O-N 2.92Å; E301-E304 PolarHBondContact O-N 2.98Å; E301-E304 VanDerWaalsContact O-N 3.16Å; E301-V305 WeakPolarHBondContact O-CG2 3.34Å; E301-V305 PolarHBondContact O-N 3.27Å |
| 302 | I | 95.6 | Very high | 94.2 | Very high | 96 Ų | 96 | 109.6 Ų | 109.6 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.5 | -41.4 | 175.4 | -71 | 165.3 | 0 | 0 | 0 | 110.7 | E298 V305 Q306 | E298-I302 HydrophobicContact CG-CD1 4.02Å; E298-I302 WeakPolarHBondContact O-CB 3.49Å; E298-I302 WeakPolarHBondContact O-CD1 3.48Å; E298-I302 WeakPolarHBondContact O-CG1 3.18Å; E298-I302 PolarHBondContact O-N 3.24Å; I302-V305 PolarHBondContact O-N 3.11Å; I302-Q306 VanDerWaalsContact O-CB 3.26Å; I302-Q306 WeakPolarHBondContact O-CB 3.32Å; I302-Q306 PolarHBondContact O-N 3.02Å |
| 303 | K | 96 | Very high | 94.8 | Very high | 154 Ų | 154 | 111 Ų | 111 | 67% | 0.67 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.5 | -37.5 | 178.7 | -170.9 | -178.7 | 178.1 | -172.9 | 0 | 112 | V299 R300 E301 Q306 S307 | V299-K303 WeakPolarHBondContact O-CB 3.45Å; V299-K303 PolarHBondContact O-N 3.45Å; V299-K303 VanDerWaalsContact O-N 3.08Å; R300-K303 WeakPolarHBondContact O-CB 3.48Å; R300-K303 PolarHBondContact O-N 3Å; E301-K303 VanDerWaalsContact C-N 3.26Å; E301-K303 PolarHBondContact O-N 2.92Å; K303-Q306 PolarHBondContact O-N 3.38Å; K303-S307 PolarHBondContact O-N 3.1Å |
| 304 | E | 96.9 | Very high | 95.3 | Very high | 135 Ų | 135 | 108 Ų | 108 | 63% | 0.631 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.3 | -46.5 | 175 | -174.1 | 171.8 | -172.3 | 0 | 0 | 111.2 | R300 E301 Q306 S307 Q308 | R300-E304 PolarHBondContact O-N 3.04Å; E301-E304 PolarHBondContact O-N 2.98Å; E301-E304 VanDerWaalsContact O-N 3.16Å; E304-Q306 VanDerWaalsContact C-N 3.32Å; E304-Q306 PolarHBondContact O-N 3.31Å; E304-S307 WeakPolarHBondContact O-CB 3.48Å; E304-S307 PolarHBondContact O-N 2.9Å; E304-Q308 PolarHBondContact O-N 2.99Å |
| 305 | V | 96.8 | Very high | 95.8 | Very high | 99 Ų | 99 | 107 Ų | 107 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.6 | -38.8 | 175.1 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | E301 I302 Q308 L309 | E301-V305 WeakPolarHBondContact O-CG2 3.34Å; E301-V305 PolarHBondContact O-N 3.27Å; I302-V305 PolarHBondContact O-N 3.11Å; V305-Q308 PolarHBondContact O-N 3.36Å; V305-L309 WeakPolarHBondContact O-CB 3.31Å; V305-L309 PolarHBondContact O-N 3.46Å |
| 306 | Q | 96.3 | Very high | 96.1 | Very high | 126 Ų | 126 | 107.2 Ų | 107.2 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63 | -42.3 | 174.9 | -175.4 | -176.3 | 2.1 | 0 | 0 | 111.6 | I302 K303 E304 L309 E310 | I302-Q306 VanDerWaalsContact O-CB 3.26Å; I302-Q306 WeakPolarHBondContact O-CB 3.32Å; I302-Q306 PolarHBondContact O-N 3.02Å; K303-Q306 PolarHBondContact O-N 3.38Å; E304-Q306 VanDerWaalsContact C-N 3.32Å; E304-Q306 PolarHBondContact O-N 3.31Å; Q306-L309 PolarHBondContact O-N 3.49Å; Q306-E310 PolarHBondContact O-N 3.42Å; Q306-E310 VanDerWaalsContact O-N 3.1Å |
| 307 | S | 96.9 | Very high | 96.5 | Very high | 57 Ų | 57 | 105.2 Ų | 105.2 | 40% | 0.399 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 175.6 | -166.7 | 0 | 0 | 0 | 0 | 111.3 | K303 E304 L309 E310 E311 | K303-S307 PolarHBondContact O-N 3.1Å; E304-S307 WeakPolarHBondContact O-CB 3.48Å; E304-S307 PolarHBondContact O-N 2.9Å; S307-L309 VanDerWaalsContact C-N 3.32Å; S307-L309 PolarHBondContact O-N 2.96Å; S307-E310 WeakPolarHBondContact O-CB 3.4Å; S307-E310 PolarHBondContact O-N 3.14Å; S307-E311 PolarHBondContact O-N 3.45Å; S307-E311 VanDerWaalsContact O-N 3.07Å |
| 308 | Q | 97.8 | Very high | 96.8 | Very high | 96 Ų | 96 | 107.7 Ų | 107.7 | 45% | 0.449 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 177.2 | -173.3 | 61.7 | 56.3 | 0 | 0 | 111.6 | E304 V305 E310 E311 D312 | E304-Q308 PolarHBondContact O-N 2.99Å; V305-Q308 PolarHBondContact O-N 3.36Å; Q308-E310 VanDerWaalsContact C-N 3.31Å; Q308-E310 PolarHBondContact O-N 3.15Å; Q308-E311 PolarHBondContact O-N 2.77Å; Q308-D312 PolarHBondContact NE2-OD1 2.95Å; Q308-D312 WeakPolarHBondContact O-CB 3.37Å; Q308-D312 VanDerWaalsContact O-CG 3.23Å; Q308-D312 PolarHBondContact O-N 3.06Å |
| 309 | L | 97.8 | Very high | 97.1 | Very high | 117 Ų | 117 | 106.5 Ų | 106.5 | 61% | 0.613 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.1 | -36.2 | 177.4 | -178.3 | 64.2 | 0 | 0 | 0 | 112.3 | V305 Q306 S307 M313 | V305-L309 WeakPolarHBondContact O-CB 3.31Å; V305-L309 PolarHBondContact O-N 3.46Å; Q306-L309 PolarHBondContact O-N 3.49Å; S307-L309 VanDerWaalsContact C-N 3.32Å; S307-L309 PolarHBondContact O-N 2.96Å; L309-M313 VanDerWaalsContact O-CB 3.3Å; L309-M313 WeakPolarHBondContact O-CB 3.44Å; L309-M313 PolarHBondContact O-N 2.99Å |
| 310 | E | 97.8 | Very high | 97.3 | Very high | 117 Ų | 117 | 108.7 Ų | 108.7 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 174.6 | -174.5 | 172.6 | -172.2 | 0 | 0 | 111.1 | Q306 S307 Q308 M313 D314 | Q306-E310 PolarHBondContact O-N 3.42Å; Q306-E310 VanDerWaalsContact O-N 3.1Å; S307-E310 WeakPolarHBondContact O-CB 3.4Å; S307-E310 PolarHBondContact O-N 3.14Å; Q308-E310 VanDerWaalsContact C-N 3.31Å; Q308-E310 PolarHBondContact O-N 3.15Å; E310-M313 PolarHBondContact O-N 3.14Å; E310-D314 PolarHBondContact O-N 2.87Å |
| 311 | E | 98.1 | Very high | 97.5 | Very high | 116 Ų | 116 | 108.2 Ų | 108.2 | 54% | 0.542 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 175.1 | -69.4 | 178 | -164.5 | 0 | 0 | 112.1 | S307 Q308 M313 D314 E315 | S307-E311 PolarHBondContact O-N 3.45Å; S307-E311 VanDerWaalsContact O-N 3.07Å; Q308-E311 PolarHBondContact O-N 2.77Å; E311-M313 VanDerWaalsContact C-N 3.31Å; E311-M313 PolarHBondContact O-N 3.49Å; E311-D314 PolarHBondContact O-N 3.29Å; E311-E315 PolarHBondContact O-N 2.99Å |
| 312 | D | 97.6 | Very high | 97.6 | Very high | 66 Ų | 66 | 110 Ų | 110 | 35% | 0.353 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 177.9 | -69 | -5.4 | 0 | 0 | 0 | 111.3 | Q308 E315 I316 | Q308-D312 PolarHBondContact NE2-OD1 2.95Å; Q308-D312 WeakPolarHBondContact O-CB 3.37Å; Q308-D312 VanDerWaalsContact O-CG 3.23Å; Q308-D312 PolarHBondContact O-N 3.06Å; D312-E315 PolarHBondContact O-N 2.85Å; D312-I316 VanDerWaalsContact O-CG1 3.26Å; D312-I316 WeakPolarHBondContact O-CG1 3.49Å; D312-I316 PolarHBondContact O-N 3.02Å |
| 313 | M | 97.4 | Very high | 97.7 | Very high | 114 Ų | 114 | 111 Ų | 111 | 56% | 0.562 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.6 | -41.7 | 176.8 | -177.2 | -175.9 | 62.1 | 0 | 0 | 111.5 | L309 E310 E311 I316 K317 | L309-M313 VanDerWaalsContact O-CB 3.3Å; L309-M313 WeakPolarHBondContact O-CB 3.44Å; L309-M313 PolarHBondContact O-N 2.99Å; E310-M313 PolarHBondContact O-N 3.14Å; E311-M313 VanDerWaalsContact C-N 3.31Å; E311-M313 PolarHBondContact O-N 3.49Å; M313-I316 PolarHBondContact O-N 2.81Å; M313-K317 WeakPolarHBondContact O-CB 3.46Å; M313-K317 PolarHBondContact O-N 3.36Å |
| 314 | D | 98.3 | Very high | 97.8 | Very high | 71 Ų | 71 | 110.8 Ų | 110.8 | 38% | 0.38 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.8 | -38 | 175.9 | -86.1 | -24.2 | 0 | 0 | 0 | 111.7 | E310 E311 K317 E318 | E310-D314 PolarHBondContact O-N 2.87Å; E311-D314 PolarHBondContact O-N 3.29Å; D314-K317 WeakPolarHBondContact O-CB 3.49Å; D314-K317 PolarHBondContact O-N 3Å; D314-K317 IonicContact OD1-NZ 3.38Å; D314-E318 WeakPolarHBondContact O-CG 3.26Å; D314-E318 PolarHBondContact O-N 2.85Å |
| 315 | E | 98.3 | Very high | 97.9 | Very high | 103 Ų | 103 | 107.8 Ų | 107.8 | 48% | 0.481 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 173.7 | -167.4 | -173.4 | 166.1 | 0 | 0 | 111.4 | E311 D312 K317 E318 Q319 | E311-E315 PolarHBondContact O-N 2.99Å; D312-E315 PolarHBondContact O-N 2.85Å; E315-K317 VanDerWaalsContact C-N 3.26Å; E315-K317 PolarHBondContact O-N 3.07Å; E315-E318 PolarHBondContact O-N 2.89Å; E315-Q319 HydrophobicContact CG-CG 4.45Å; E315-Q319 WeakPolarHBondContact O-CB 3.49Å; E315-Q319 WeakPolarHBondContact O-CG 3.29Å; E315-Q319 PolarHBondContact O-N 2.9Å; E315-Q319 PolarHBondContact OE1-NE2 3.13Å |
| 316 | I | 98 | Very high | 98 | Very high | 111 Ų | 111 | 108 Ų | 108 | 57% | 0.569 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.1 | -40.6 | 177.5 | -70.7 | 166.2 | 0 | 0 | 0 | 110.6 | D312 M313 Q319 F320 | D312-I316 VanDerWaalsContact O-CG1 3.26Å; D312-I316 WeakPolarHBondContact O-CG1 3.49Å; D312-I316 PolarHBondContact O-N 3.02Å; M313-I316 PolarHBondContact O-N 2.81Å; I316-Q319 PolarHBondContact O-N 3.44Å; I316-F320 WeakPolarHBondContact O-CB 3.49Å; I316-F320 PolarHBondContact O-N 3.13Å |
| 317 | K | 98.3 | Very high | 98.1 | Very high | 112 Ų | 112 | 107.8 Ų | 107.8 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 178.2 | -178.7 | -177.6 | 176 | -172.8 | 0 | 112 | M313 D314 E315 K321 | M313-K317 WeakPolarHBondContact O-CB 3.46Å; M313-K317 PolarHBondContact O-N 3.36Å; D314-K317 WeakPolarHBondContact O-CB 3.49Å; D314-K317 PolarHBondContact O-N 3Å; D314-K317 IonicContact OD1-NZ 3.38Å; E315-K317 VanDerWaalsContact C-N 3.26Å; E315-K317 PolarHBondContact O-N 3.07Å; K317-K321 WeakPolarHBondContact O-CG 3.5Å; K317-K321 PolarHBondContact O-N 3.38Å |
| 318 | E | 98.3 | Very high | 98.1 | Very high | 122 Ų | 122 | 108 Ų | 108 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.9 | -42.6 | 173.9 | -72.7 | -168.5 | 170.5 | 0 | 0 | 112.3 | D314 E315 K321 R322 | D314-E318 WeakPolarHBondContact O-CG 3.26Å; D314-E318 PolarHBondContact O-N 2.85Å; E315-E318 PolarHBondContact O-N 2.89Å; E318-K321 PolarHBondContact O-N 3.24Å; E318-R322 WeakPolarHBondContact O-CG 3.31Å; E318-R322 PolarHBondContact O-N 2.92Å |
| 319 | Q | 98.3 | Very high | 98.1 | Very high | 79 Ų | 79 | 108.8 Ų | 108.8 | 37% | 0.369 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.2 | -48.6 | 173.9 | -73.8 | -173.8 | 14.7 | 0 | 0 | 110.7 | E315 I316 K321 R322 E323 | E315-Q319 HydrophobicContact CG-CG 4.45Å; E315-Q319 WeakPolarHBondContact O-CB 3.49Å; E315-Q319 WeakPolarHBondContact O-CG 3.29Å; E315-Q319 PolarHBondContact O-N 2.9Å; E315-Q319 PolarHBondContact OE1-NE2 3.13Å; I316-Q319 PolarHBondContact O-N 3.44Å; Q319-K321 PolarHBondContact O-N 2.99Å; Q319-R322 PolarHBondContact O-N 3.42Å; Q319-E323 WeakPolarHBondContact O-CG 3.27Å; Q319-E323 PolarHBondContact O-N 3.42Å |
| 320 | F | 98.3 | Very high | 98.1 | Very high | 140 Ų | 140 | 106.4 Ų | 106.4 | 61% | 0.614 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.8 | -43 | 178.6 | -173.9 | -94.2 | 0 | 0 | 0 | 112.3 | I316 R322 E323 Y324 | I316-F320 WeakPolarHBondContact O-CB 3.49Å; I316-F320 PolarHBondContact O-N 3.13Å; F320-R322 VanDerWaalsContact C-N 3.35Å; F320-R322 PolarHBondContact O-N 3.27Å; F320-E323 PolarHBondContact O-N 3.33Å; F320-Y324 VanDerWaalsContact O-CB 3.26Å; F320-Y324 WeakPolarHBondContact O-CB 3.36Å; F320-Y324 PolarHBondContact O-N 3.23Å |
| 321 | K | 98.4 | Very high | 98.2 | Very high | 131 Ų | 131 | 105.6 Ų | 105.6 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.3 | -42.8 | 175.6 | -77.4 | 175.3 | 179.9 | 179.9 | 0 | 112.1 | K317 E318 Q319 S325 | K317-K321 WeakPolarHBondContact O-CG 3.5Å; K317-K321 PolarHBondContact O-N 3.38Å; E318-K321 PolarHBondContact O-N 3.24Å; Q319-K321 PolarHBondContact O-N 2.99Å; K321-S325 PolarHBondContact O-N 3.4Å |
| 322 | R | 98.3 | Very high | 98.2 | Very high | 147 Ų | 147 | 104 Ų | 104 | 56% | 0.555 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.3 | -49.1 | 176.8 | -76.1 | -172.7 | -74.7 | 125 | -11.7 | 111.3 | E318 Q319 F320 Y324 S325 I326 | E318-R322 WeakPolarHBondContact O-CG 3.31Å; E318-R322 PolarHBondContact O-N 2.92Å; Q319-R322 PolarHBondContact O-N 3.42Å; F320-R322 VanDerWaalsContact C-N 3.35Å; F320-R322 PolarHBondContact O-N 3.27Å; R322-Y324 VanDerWaalsContact C-N 3.35Å; R322-Y324 PolarHBondContact O-N 3.03Å; R322-S325 PolarHBondContact O-N 2.99Å; R322-I326 WeakPolarHBondContact O-CG1 3.18Å; R322-I326 PolarHBondContact O-N 3.47Å |
| 323 | E | 98.2 | Very high | 98.2 | Very high | 118 Ų | 118 | 105.9 Ų | 105.9 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.8 | -42 | 178.3 | -70.9 | -164.4 | 160.3 | 0 | 0 | 112.1 | Q319 F320 S325 I326 L327 | Q319-E323 WeakPolarHBondContact O-CG 3.27Å; Q319-E323 PolarHBondContact O-N 3.42Å; F320-E323 PolarHBondContact O-N 3.33Å; E323-S325 VanDerWaalsContact C-N 3.34Å; E323-S325 PolarHBondContact O-N 3.11Å; E323-I326 PolarHBondContact O-N 3.1Å; E323-L327 WeakPolarHBondContact O-CB 3.42Å; E323-L327 PolarHBondContact O-N 2.89Å |
| 324 | Y | 98.3 | Very high | 98.2 | Very high | 150 Ų | 150 | 103.6 Ų | 103.6 | 59% | 0.588 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.9 | -43.9 | 176 | 179 | -96.8 | 0 | 0 | 0 | 111.9 | F320 R322 L327 S328 | F320-Y324 VanDerWaalsContact O-CB 3.26Å; F320-Y324 WeakPolarHBondContact O-CB 3.36Å; F320-Y324 PolarHBondContact O-N 3.23Å; R322-Y324 VanDerWaalsContact C-N 3.35Å; R322-Y324 PolarHBondContact O-N 3.03Å; Y324-L327 PolarHBondContact O-N 2.92Å; Y324-S328 VanDerWaalsContact O-CB 3.27Å; Y324-S328 WeakPolarHBondContact O-CB 3.26Å; Y324-S328 PolarHBondContact O-N 3.15Å |
| 325 | S | 98.5 | Very high | 98.1 | Very high | 71 Ų | 71 | 108 Ų | 108 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 177.1 | -171.1 | 0 | 0 | 0 | 0 | 111.8 | K321 R322 E323 S328 Q329 | K321-S325 PolarHBondContact O-N 3.4Å; R322-S325 PolarHBondContact O-N 2.99Å; E323-S325 VanDerWaalsContact C-N 3.34Å; E323-S325 PolarHBondContact O-N 3.11Å; S325-S328 PolarHBondContact O-N 3.35Å; S325-Q329 WeakPolarHBondContact O-CB 3.43Å; S325-Q329 PolarHBondContact O-N 3.48Å |
| 326 | I | 98.3 | Very high | 98.1 | Very high | 105 Ų | 105 | 110.4 Ų | 110.4 | 54% | 0.538 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 179.1 | -65.8 | 164.9 | 0 | 0 | 0 | 110.6 | R322 E323 Q329 T330 | R322-I326 WeakPolarHBondContact O-CG1 3.18Å; R322-I326 PolarHBondContact O-N 3.47Å; E323-I326 PolarHBondContact O-N 3.1Å; I326-Q329 PolarHBondContact O-N 3.4Å; I326-T330 WeakPolarHBondContact O-CB 3.48Å; I326-T330 PolarHBondContact O-N 3.27Å; I326-T330 PolarHBondContact O-OG1 3.38Å |
| 327 | L | 98.1 | Very high | 98.1 | Very high | 120 Ų | 120 | 110.7 Ų | 110.7 | 63% | 0.628 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.1 | -43.9 | 178.8 | -179.3 | 61.5 | 0 | 0 | 0 | 111.4 | E323 Y324 T330 L331 | E323-L327 WeakPolarHBondContact O-CB 3.42Å; E323-L327 PolarHBondContact O-N 2.89Å; Y324-L327 PolarHBondContact O-N 2.92Å; L327-T330 PolarHBondContact O-N 3.45Å; L327-L331 WeakPolarHBondContact O-CB 3.4Å; L327-L331 PolarHBondContact O-N 3.37Å |
| 328 | S | 98.3 | Very high | 98.1 | Very high | 61 Ų | 61 | 111.8 Ų | 111.8 | 43% | 0.427 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 176.9 | -173.3 | 0 | 0 | 0 | 0 | 111.6 | Y324 S325 L331 Q332 | Y324-S328 VanDerWaalsContact O-CB 3.27Å; Y324-S328 WeakPolarHBondContact O-CB 3.26Å; Y324-S328 PolarHBondContact O-N 3.15Å; S325-S328 PolarHBondContact O-N 3.35Å; S328-L331 PolarHBondContact O-N 3.5Å; S328-Q332 WeakPolarHBondContact O-CB 3.34Å; S328-Q332 PolarHBondContact O-N 2.85Å |
| 329 | Q | 98.4 | Very high | 98.1 | Very high | 113 Ų | 113 | 108 Ų | 108 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 176.4 | -179.4 | 178.8 | -7.4 | 0 | 0 | 111.8 | S325 I326 L331 Q332 E333 | S325-Q329 WeakPolarHBondContact O-CB 3.43Å; S325-Q329 PolarHBondContact O-N 3.48Å; I326-Q329 PolarHBondContact O-N 3.4Å; Q329-L331 VanDerWaalsContact C-N 3.28Å; Q329-L331 PolarHBondContact O-N 2.89Å; Q329-Q332 WeakPolarHBondContact O-CB 3.46Å; Q329-Q332 PolarHBondContact O-N 3.16Å; Q329-Q332 VanDerWaalsContact O-N 3.09Å; Q329-E333 HydrophobicContact CG-CG 4.48Å; Q329-E333 WeakPolarHBondContact CG-OE1 3.46Å; Q329-E333 PolarHBondContact NE2-OE1 2.97Å; Q329-E333 WeakPolarHBondContact O-CG 3.25Å; Q329-E333 PolarHBondContact O-N 3.4Å |
| 330 | T | 97.6 | Very high | 98.1 | Very high | 67 Ų | 67 | 109.5 Ų | 109.5 | 41% | 0.411 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 179.7 | -53.1 | 0 | 0 | 0 | 0 | 111.1 | I326 L327 Q332 E333 E334 | I326-T330 WeakPolarHBondContact O-CB 3.48Å; I326-T330 PolarHBondContact O-N 3.27Å; I326-T330 PolarHBondContact O-OG1 3.38Å; L327-T330 PolarHBondContact O-N 3.45Å; T330-Q332 VanDerWaalsContact C-N 3.33Å; T330-Q332 PolarHBondContact O-N 3.23Å; T330-E333 PolarHBondContact O-N 3.19Å; T330-E334 WeakPolarHBondContact O-CB 3.43Å; T330-E334 WeakPolarHBondContact O-CG 3.47Å; T330-E334 PolarHBondContact O-N 3.06Å |
| 331 | L | 98.4 | Very high | 98.1 | Very high | 101 Ų | 101 | 106.4 Ų | 106.4 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 176.2 | -175.8 | 70.7 | 0 | 0 | 0 | 111.7 | L327 S328 Q329 E334 R335 | L327-L331 WeakPolarHBondContact O-CB 3.4Å; L327-L331 PolarHBondContact O-N 3.37Å; S328-L331 PolarHBondContact O-N 3.5Å; Q329-L331 VanDerWaalsContact C-N 3.28Å; Q329-L331 PolarHBondContact O-N 2.89Å; L331-E334 PolarHBondContact O-N 3.46Å; L331-R335 WeakPolarHBondContact O-CG 3.39Å; L331-R335 PolarHBondContact O-N 2.93Å |
| 332 | Q | 98.3 | Very high | 98.1 | Very high | 83 Ų | 83 | 106.8 Ų | 106.8 | 39% | 0.388 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.1 | -43 | 178.6 | -171.9 | 67.1 | 3.9 | 0 | 0 | 111.5 | S328 Q329 T330 E334 R335 Y336 | S328-Q332 WeakPolarHBondContact O-CB 3.34Å; S328-Q332 PolarHBondContact O-N 2.85Å; Q329-Q332 WeakPolarHBondContact O-CB 3.46Å; Q329-Q332 PolarHBondContact O-N 3.16Å; Q329-Q332 VanDerWaalsContact O-N 3.09Å; T330-Q332 VanDerWaalsContact C-N 3.33Å; T330-Q332 PolarHBondContact O-N 3.23Å; Q332-E334 VanDerWaalsContact C-N 3.34Å; Q332-E334 PolarHBondContact O-N 3.47Å; Q332-R335 WeakPolarHBondContact O-CB 3.49Å; Q332-R335 PolarHBondContact O-N 2.77Å; Q332-Y336 HydrophobicContact CG-CD2 4.02Å; Q332-Y336 HydrophobicContact CG-CE2 3.53Å; Q332-Y336 VanDerWaalsContact NE2-CE2 3.33Å; Q332-Y336 PolarHBondContact NE2-OH 3.31Å; Q332-Y336 VanDerWaalsContact NE2-OH 3.16Å; Q332-Y336 WeakPolarHBondContact O-CD2 3.41Å; Q332-Y336 PolarHBondContact O-N 3.4Å |
| 333 | E | 98.1 | Very high | 98.1 | Very high | 104 Ų | 104 | 104.4 Ų | 104.4 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 174 | -72.3 | 173.2 | -170 | 0 | 0 | 111.3 | Q329 T330 R335 Y336 R337 | Q329-E333 HydrophobicContact CG-CG 4.48Å; Q329-E333 WeakPolarHBondContact CG-OE1 3.46Å; Q329-E333 PolarHBondContact NE2-OE1 2.97Å; Q329-E333 WeakPolarHBondContact O-CG 3.25Å; Q329-E333 PolarHBondContact O-N 3.4Å; T330-E333 PolarHBondContact O-N 3.19Å; E333-R335 PolarHBondContact O-N 3.24Å; E333-Y336 PolarHBondContact O-N 2.96Å; E333-R337 WeakPolarHBondContact O-CB 3.4Å; E333-R337 PolarHBondContact O-N 2.95Å |
| 334 | E | 96.4 | Very high | 98.1 | Very high | 66 Ų | 66 | 103.6 Ų | 103.6 | 31% | 0.308 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 174.3 | -79.1 | -66.9 | 114.4 | 0 | 0 | 111.7 | T330 L331 Q332 Y336 R337 Y338 | T330-E334 WeakPolarHBondContact O-CB 3.43Å; T330-E334 WeakPolarHBondContact O-CG 3.47Å; T330-E334 PolarHBondContact O-N 3.06Å; L331-E334 PolarHBondContact O-N 3.46Å; Q332-E334 VanDerWaalsContact C-N 3.34Å; Q332-E334 PolarHBondContact O-N 3.47Å; E334-Y336 VanDerWaalsContact C-N 3.34Å; E334-Y336 PolarHBondContact O-N 3.39Å; E334-R337 WeakPolarHBondContact O-CB 3.37Å; E334-R337 PolarHBondContact O-N 3.45Å; E334-R337 VanDerWaalsContact O-N 3.17Å; E334-R337 IonicContact OE1-CZ 3.98Å; E334-R337 IonicContact OE1-NE 2.7Å; E334-R337 PolarHBondContact OE1-NE 2.86Å; E334-R337 IonicContact OE1-NH2 3.49Å; E334-R337 IonicContact OE2-CZ 2.65Å; E334-R337 IonicContact OE2-NE 3.59Å; E334-R337 PolarHBondContact OE2-NE 3.2Å; E334-R337 IonicContact OE2-NH2 3.97Å; E334-R337 PolarHBondContact OE2-NH2 3.44Å; E334-Y338 HydrophobicContact CB-CD2 4.48Å; E334-Y338 HydrophobicContact CB-CE2 4.38Å; E334-Y338 WeakPolarHBondContact O-CD2 3.45Å; E334-Y338 PolarHBondContact O-N 3.14Å; E334-Y338 WeakPolarHBondContact OE2-CE2 3.46Å |
| 335 | R | 98 | Very high | 98 | Very high | 165 Ų | 165 | 100.5 Ų | 100.5 | 62% | 0.623 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58 | -44.2 | 175.2 | -79.4 | -179.5 | 178.8 | -97.2 | 1.7 | 112.3 | L331 Q332 E333 Y338 A339 | L331-R335 WeakPolarHBondContact O-CG 3.39Å; L331-R335 PolarHBondContact O-N 2.93Å; Q332-R335 WeakPolarHBondContact O-CB 3.49Å; Q332-R335 PolarHBondContact O-N 2.77Å; E333-R335 PolarHBondContact O-N 3.24Å; R335-Y338 PolarHBondContact O-N 3.39Å; R335-A339 PolarHBondContact O-N 2.92Å |
| 336 | Y | 98.3 | Very high | 98 | Very high | 153 Ų | 153 | 101.6 Ų | 101.6 | 60% | 0.6 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.5 | -40.2 | 175.8 | -73 | -61.8 | 0 | 0 | 0 | 112.1 | Q332 E333 E334 Y338 A339 H340 | Q332-Y336 HydrophobicContact CG-CD2 4.02Å; Q332-Y336 HydrophobicContact CG-CE2 3.53Å; Q332-Y336 VanDerWaalsContact NE2-CE2 3.33Å; Q332-Y336 PolarHBondContact NE2-OH 3.31Å; Q332-Y336 VanDerWaalsContact NE2-OH 3.16Å; Q332-Y336 WeakPolarHBondContact O-CD2 3.41Å; Q332-Y336 PolarHBondContact O-N 3.4Å; E333-Y336 PolarHBondContact O-N 2.96Å; E334-Y336 VanDerWaalsContact C-N 3.34Å; E334-Y336 PolarHBondContact O-N 3.39Å; Y336-Y338 VanDerWaalsContact C-N 3.33Å; Y336-Y338 PolarHBondContact O-N 3.04Å; Y336-A339 PolarHBondContact O-N 3.44Å; Y336-H340 PolarHBondContact O-N 2.91Å |
| 337 | R | 98.2 | Very high | 98 | Very high | 116 Ų | 116 | 101.4 Ų | 101.4 | 44% | 0.438 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62 | -41.2 | 176.2 | -167.7 | -177.7 | 67.8 | 70.6 | 3.7 | 111.7 | E333 E334 L341 | E333-R337 WeakPolarHBondContact O-CB 3.4Å; E333-R337 PolarHBondContact O-N 2.95Å; E334-R337 WeakPolarHBondContact O-CB 3.37Å; E334-R337 PolarHBondContact O-N 3.45Å; E334-R337 VanDerWaalsContact O-N 3.17Å; E334-R337 IonicContact OE1-CZ 3.98Å; E334-R337 IonicContact OE1-NE 2.7Å; E334-R337 PolarHBondContact OE1-NE 2.86Å; E334-R337 IonicContact OE1-NH2 3.49Å; E334-R337 IonicContact OE2-CZ 2.65Å; E334-R337 IonicContact OE2-NE 3.59Å; E334-R337 PolarHBondContact OE2-NE 3.2Å; E334-R337 IonicContact OE2-NH2 3.97Å; E334-R337 PolarHBondContact OE2-NH2 3.44Å; R337-L341 WeakPolarHBondContact O-CB 3.12Å; R337-L341 PolarHBondContact O-N 3.5Å |
| 338 | Y | 97.9 | Very high | 98 | Very high | 135 Ų | 135 | 101 Ų | 101 | 53% | 0.529 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.1 | -47.5 | 175.4 | -81.5 | -68.3 | 0 | 0 | 0 | 111.9 | E334 R335 Y336 H340 L341 E342 | E334-Y338 HydrophobicContact CB-CD2 4.48Å; E334-Y338 HydrophobicContact CB-CE2 4.38Å; E334-Y338 WeakPolarHBondContact O-CD2 3.45Å; E334-Y338 PolarHBondContact O-N 3.14Å; E334-Y338 WeakPolarHBondContact OE2-CE2 3.46Å; R335-Y338 PolarHBondContact O-N 3.39Å; Y336-Y338 VanDerWaalsContact C-N 3.33Å; Y336-Y338 PolarHBondContact O-N 3.04Å; Y338-H340 VanDerWaalsContact C-N 3.31Å; Y338-H340 PolarHBondContact O-N 3.14Å; Y338-L341 PolarHBondContact O-N 3.47Å; Y338-E342 WeakPolarHBondContact O-CB 3.43Å; Y338-E342 PolarHBondContact O-N 2.92Å |
| 339 | A | 97.9 | Very high | 97.9 | Very high | 44 Ų | 44 | 100.9 Ų | 100.9 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.9 | -45 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R335 Y336 L341 E342 D343 | R335-A339 PolarHBondContact O-N 2.92Å; Y336-A339 PolarHBondContact O-N 3.44Å; A339-L341 PolarHBondContact O-N 2.83Å; A339-E342 WeakPolarHBondContact O-CB 3.37Å; A339-E342 PolarHBondContact O-N 2.71Å; A339-D343 PolarHBondContact O-N 3.1Å |
| 340 | H | 98.2 | Very high | 97.9 | Very high | 110 Ų | 110 | 101.4 Ų | 101.4 | 51% | 0.509 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 177.6 | -173.4 | 55.4 | 0 | 0 | 0 | 113.2 | Y336 Y338 E342 D343 Q344 | Y336-H340 PolarHBondContact O-N 2.91Å; Y338-H340 VanDerWaalsContact C-N 3.31Å; Y338-H340 PolarHBondContact O-N 3.14Å; H340-E342 VanDerWaalsContact C-N 3.32Å; H340-D343 PolarHBondContact O-N 3.12Å; H340-Q344 PolarHBondContact NE2-NE2 3.04Å; H340-Q344 WeakPolarHBondContact O-CG 3.32Å; H340-Q344 PolarHBondContact O-N 3.03Å; H340-Q344 VanDerWaalsContact O-N 3.08Å |
| 341 | L | 98.1 | Very high | 97.9 | Very high | 75 Ų | 75 | 102.4 Ų | 102.4 | 39% | 0.393 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.4 | -34.7 | 177 | -173.3 | 64.3 | 0 | 0 | 0 | 111.7 | R337 Y338 A339 Q344 L345 | R337-L341 WeakPolarHBondContact O-CB 3.12Å; R337-L341 PolarHBondContact O-N 3.5Å; Y338-L341 PolarHBondContact O-N 3.47Å; A339-L341 PolarHBondContact O-N 2.83Å; L341-Q344 PolarHBondContact O-N 3.45Å; L341-L345 WeakPolarHBondContact O-CB 3.31Å; L341-L345 PolarHBondContact O-N 3.37Å |
| 342 | E | 97.8 | Very high | 97.8 | Very high | 139 Ų | 139 | 102.7 Ų | 102.7 | 65% | 0.65 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.7 | -45 | 173.4 | -176.3 | 171.8 | -148.9 | 0 | 0 | 111 | Y338 A339 H340 Q344 L345 N346 | Y338-E342 WeakPolarHBondContact O-CB 3.43Å; Y338-E342 PolarHBondContact O-N 2.92Å; A339-E342 WeakPolarHBondContact O-CB 3.37Å; A339-E342 PolarHBondContact O-N 2.71Å; H340-E342 VanDerWaalsContact C-N 3.32Å; E342-Q344 PolarHBondContact O-N 2.96Å; E342-L345 PolarHBondContact O-N 3.45Å; E342-N346 WeakPolarHBondContact O-CB 3.4Å; E342-N346 PolarHBondContact O-N 3.35Å |
| 343 | D | 98.3 | Very high | 97.8 | Very high | 96 Ų | 96 | 105 Ų | 105 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.3 | -47.5 | 174.3 | -67.1 | -25.9 | 0 | 0 | 0 | 111.3 | A339 H340 L345 N346 D347 | A339-D343 PolarHBondContact O-N 3.1Å; H340-D343 PolarHBondContact O-N 3.12Å; D343-L345 VanDerWaalsContact C-N 3.33Å; D343-L345 PolarHBondContact O-N 3.11Å; D343-N346 WeakPolarHBondContact O-CB 3.44Å; D343-N346 PolarHBondContact O-N 3.5Å; D343-N346 VanDerWaalsContact O-N 3.16Å; D343-D347 PolarHBondContact O-N 3.27Å |
| 344 | Q | 98.3 | Very high | 97.8 | Very high | 101 Ų | 101 | 105.2 Ų | 105.2 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 177.3 | -72.6 | -176.6 | -22.6 | 0 | 0 | 112.9 | H340 L341 E342 N346 L348 | H340-Q344 PolarHBondContact NE2-NE2 3.04Å; H340-Q344 WeakPolarHBondContact O-CG 3.32Å; H340-Q344 PolarHBondContact O-N 3.03Å; H340-Q344 VanDerWaalsContact O-N 3.08Å; L341-Q344 PolarHBondContact O-N 3.45Å; E342-Q344 PolarHBondContact O-N 2.96Å; Q344-N346 VanDerWaalsContact C-N 3.32Å; Q344-L348 WeakPolarHBondContact O-CB 3.46Å; Q344-L348 PolarHBondContact O-N 2.93Å |
| 345 | L | 97.4 | Very high | 97.8 | Very high | 86 Ų | 86 | 107 Ų | 107 | 45% | 0.45 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 176.5 | -179.6 | 64.2 | 0 | 0 | 0 | 110.8 | L341 E342 D343 L348 T349 | L341-L345 WeakPolarHBondContact O-CB 3.31Å; L341-L345 PolarHBondContact O-N 3.37Å; E342-L345 PolarHBondContact O-N 3.45Å; D343-L345 VanDerWaalsContact C-N 3.33Å; D343-L345 PolarHBondContact O-N 3.11Å; L345-L348 PolarHBondContact O-N 2.86Å; L345-T349 VanDerWaalsContact O-CB 3.31Å; L345-T349 WeakPolarHBondContact O-CB 3.49Å; L345-T349 PolarHBondContact O-N 3.39Å; L345-T349 PolarHBondContact O-OG1 3.46Å |
| 346 | N | 98.4 | Very high | 97.8 | Very high | 94 Ų | 94 | 102.9 Ų | 102.9 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -48.2 | 177.2 | -171.4 | 68.1 | 0 | 0 | 0 | 111.1 | E342 D343 Q344 L348 T349 E350 | E342-N346 WeakPolarHBondContact O-CB 3.4Å; E342-N346 PolarHBondContact O-N 3.35Å; D343-N346 WeakPolarHBondContact O-CB 3.44Å; D343-N346 PolarHBondContact O-N 3.5Å; D343-N346 VanDerWaalsContact O-N 3.16Å; Q344-N346 VanDerWaalsContact C-N 3.32Å; N346-L348 VanDerWaalsContact C-N 3.32Å; N346-L348 PolarHBondContact O-N 3.16Å; N346-T349 WeakPolarHBondContact O-CB 3.31Å; N346-T349 PolarHBondContact O-N 2.93Å; N346-T349 VanDerWaalsContact O-N 3.1Å; N346-E350 PolarHBondContact O-N 2.9Å |
| 347 | D | 98.4 | Very high | 97.7 | Very high | 101 Ų | 101 | 98.1 Ų | 98.1 | 54% | 0.54 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.4 | -44.2 | 176.1 | -71 | -13.3 | 0 | 0 | 0 | 111.8 | D343 T349 E350 L351 | D343-D347 PolarHBondContact O-N 3.27Å; D347-T349 VanDerWaalsContact C-N 3.34Å; D347-E350 PolarHBondContact O-N 3.31Å; D347-L351 WeakPolarHBondContact O-CB 3.28Å; D347-L351 PolarHBondContact O-N 2.89Å |
| 348 | L | 97.4 | Very high | 97.7 | Very high | 110 Ų | 110 | 96 Ų | 96 | 58% | 0.576 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.2 | -39.4 | 177 | -178.1 | 63.6 | 0 | 0 | 0 | 111.8 | Q344 L345 N346 H352 | Q344-L348 WeakPolarHBondContact O-CB 3.46Å; Q344-L348 PolarHBondContact O-N 2.93Å; L345-L348 PolarHBondContact O-N 2.86Å; N346-L348 VanDerWaalsContact C-N 3.32Å; N346-L348 PolarHBondContact O-N 3.16Å; L348-H352 WeakPolarHBondContact O-CB 3.44Å; L348-H352 PolarHBondContact O-N 3.22Å |
| 349 | T | 95.9 | Very high | 97.7 | Very high | 59 Ų | 59 | 94.8 Ų | 94.8 | 36% | 0.362 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.3 | -42.4 | 178.5 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | L345 N346 D347 H352 Q353 | L345-T349 VanDerWaalsContact O-CB 3.31Å; L345-T349 WeakPolarHBondContact O-CB 3.49Å; L345-T349 PolarHBondContact O-N 3.39Å; L345-T349 PolarHBondContact O-OG1 3.46Å; N346-T349 WeakPolarHBondContact O-CB 3.31Å; N346-T349 PolarHBondContact O-N 2.93Å; N346-T349 VanDerWaalsContact O-N 3.1Å; D347-T349 VanDerWaalsContact C-N 3.34Å; T349-H352 PolarHBondContact O-N 3.08Å; T349-Q353 WeakPolarHBondContact O-CB 3.43Å; T349-Q353 VanDerWaalsContact O-CG 3.31Å; T349-Q353 WeakPolarHBondContact O-CG 3.4Å; T349-Q353 PolarHBondContact O-N 3.32Å |
| 350 | E | 98.4 | Very high | 97.7 | Very high | 124 Ų | 124 | 99 Ų | 99 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63 | -46.1 | 175.8 | -174.6 | 174.3 | 174 | 0 | 0 | 111.1 | N346 D347 H352 Q353 N354 | N346-E350 PolarHBondContact O-N 2.9Å; D347-E350 PolarHBondContact O-N 3.31Å; E350-H352 PolarHBondContact O-N 3.49Å; E350-Q353 PolarHBondContact O-N 3.46Å; E350-N354 WeakPolarHBondContact O-CB 3.34Å; E350-N354 PolarHBondContact O-N 2.95Å |
| 351 | L | 98.4 | Very high | 97.8 | Very high | 88 Ų | 88 | 100.5 Ų | 100.5 | 46% | 0.461 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 175.5 | -178.7 | 64.8 | 0 | 0 | 0 | 111.4 | D347 Q353 N354 E355 | D347-L351 WeakPolarHBondContact O-CB 3.28Å; D347-L351 PolarHBondContact O-N 2.89Å; L351-Q353 VanDerWaalsContact C-N 3.34Å; L351-Q353 PolarHBondContact O-N 2.67Å; L351-N354 PolarHBondContact O-N 3.46Å; L351-E355 HydrophobicContact CD1-CG 4.28Å; L351-E355 HydrophobicContact CG-CG 4.44Å; L351-E355 WeakPolarHBondContact O-CG 3.17Å; L351-E355 PolarHBondContact O-N 3.42Å |
| 352 | H | 96.7 | Very high | 97.7 | Very high | 108 Ų | 108 | 101.7 Ų | 101.7 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 179.4 | -176.1 | 68.8 | 0 | 0 | 0 | 112.3 | L348 T349 E350 N354 M356 | L348-H352 WeakPolarHBondContact O-CB 3.44Å; L348-H352 PolarHBondContact O-N 3.22Å; T349-H352 PolarHBondContact O-N 3.08Å; E350-H352 PolarHBondContact O-N 3.49Å; H352-N354 VanDerWaalsContact C-N 3.34Å; H352-M356 WeakPolarHBondContact NE2-CE 3.49Å; H352-M356 VanDerWaalsContact O-CB 3.25Å; H352-M356 WeakPolarHBondContact O-CB 3.45Å; H352-M356 PolarHBondContact O-N 3.47Å |
| 353 | Q | 98 | Very high | 97.7 | Very high | 131 Ų | 131 | 100.6 Ų | 100.6 | 61% | 0.612 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.2 | -42.9 | 175.2 | -75.9 | -179.3 | 17.9 | 0 | 0 | 111.5 | T349 E350 L351 M356 A357 | T349-Q353 WeakPolarHBondContact O-CB 3.43Å; T349-Q353 VanDerWaalsContact O-CG 3.31Å; T349-Q353 WeakPolarHBondContact O-CG 3.4Å; T349-Q353 PolarHBondContact O-N 3.32Å; E350-Q353 PolarHBondContact O-N 3.46Å; L351-Q353 VanDerWaalsContact C-N 3.34Å; L351-Q353 PolarHBondContact O-N 2.67Å; Q353-M356 PolarHBondContact O-N 3.44Å; Q353-A357 WeakPolarHBondContact O-CB 3.25Å; Q353-A357 PolarHBondContact O-N 3.33Å |
| 354 | N | 97.8 | Very high | 97.7 | Very high | 109 Ų | 109 | 98.6 Ų | 98.6 | 58% | 0.583 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.2 | -47.8 | 179 | -172.4 | 22.5 | 0 | 0 | 0 | 112 | E350 L351 H352 M356 A357 N358 | E350-N354 WeakPolarHBondContact O-CB 3.34Å; E350-N354 PolarHBondContact O-N 2.95Å; L351-N354 PolarHBondContact O-N 3.46Å; H352-N354 VanDerWaalsContact C-N 3.34Å; N354-M356 VanDerWaalsContact C-N 3.31Å; N354-M356 PolarHBondContact O-N 3.47Å; N354-A357 PolarHBondContact O-N 3.44Å; N354-A357 VanDerWaalsContact O-N 3.16Å; N354-N358 PolarHBondContact O-N 3.22Å |
| 355 | E | 96.5 | Very high | 97.7 | Very high | 104 Ų | 104 | 96.3 Ų | 96.3 | 49% | 0.486 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 175.6 | -73.1 | -178 | 171.6 | 0 | 0 | 111.5 | L351 A357 N358 L359 | L351-E355 HydrophobicContact CD1-CG 4.28Å; L351-E355 HydrophobicContact CG-CG 4.44Å; L351-E355 WeakPolarHBondContact O-CG 3.17Å; L351-E355 PolarHBondContact O-N 3.42Å; E355-A357 VanDerWaalsContact C-N 3.35Å; E355-A357 PolarHBondContact O-N 3.21Å; E355-N358 PolarHBondContact O-N 2.88Å; E355-L359 WeakPolarHBondContact O-CB 3.35Å; E355-L359 VanDerWaalsContact O-CG 3.28Å; E355-L359 WeakPolarHBondContact O-CG 3.5Å; E355-L359 PolarHBondContact O-N 3.35Å |
| 356 | M | 96.7 | Very high | 97.7 | Very high | 77 Ų | 77 | 96 Ų | 96 | 38% | 0.379 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 176.6 | -170.9 | -177.2 | -59.8 | 0 | 0 | 112 | H352 Q353 N354 K360 | H352-M356 WeakPolarHBondContact NE2-CE 3.49Å; H352-M356 VanDerWaalsContact O-CB 3.25Å; H352-M356 WeakPolarHBondContact O-CB 3.45Å; H352-M356 PolarHBondContact O-N 3.47Å; Q353-M356 PolarHBondContact O-N 3.44Å; N354-M356 VanDerWaalsContact C-N 3.31Å; N354-M356 PolarHBondContact O-N 3.47Å; M356-K360 HydrophobicContact CG-CD 4.36Å; M356-K360 WeakPolarHBondContact O-CB 3.46Å; M356-K360 VanDerWaalsContact O-CG 3.27Å; M356-K360 WeakPolarHBondContact O-CG 3.4Å; M356-K360 PolarHBondContact O-N 2.9Å |
| 357 | A | 97.3 | Very high | 97.7 | Very high | 53 Ų | 53 | 97.9 Ų | 97.9 | 44% | 0.438 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -45.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q353 N354 E355 K360 Q361 | Q353-A357 WeakPolarHBondContact O-CB 3.25Å; Q353-A357 PolarHBondContact O-N 3.33Å; N354-A357 PolarHBondContact O-N 3.44Å; N354-A357 VanDerWaalsContact O-N 3.16Å; E355-A357 VanDerWaalsContact C-N 3.35Å; E355-A357 PolarHBondContact O-N 3.21Å; A357-K360 PolarHBondContact O-N 3.23Å; A357-Q361 PolarHBondContact O-N 3.49Å |
| 358 | N | 98.1 | Very high | 97.7 | Very high | 73 Ų | 73 | 100 Ų | 100 | 39% | 0.39 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 176.8 | -174.7 | 62.1 | 0 | 0 | 0 | 111.6 | N354 E355 K360 Q361 E362 | N354-N358 PolarHBondContact O-N 3.22Å; E355-N358 PolarHBondContact O-N 2.88Å; N358-K360 VanDerWaalsContact C-N 3.32Å; N358-K360 PolarHBondContact O-N 3.48Å; N358-Q361 WeakPolarHBondContact O-CB 3.36Å; N358-Q361 PolarHBondContact O-N 2.84Å; N358-Q361 VanDerWaalsContact O-N 3.13Å; N358-E362 PolarHBondContact ND2-OE1 3.27Å; N358-E362 WeakPolarHBondContact O-CG 3.42Å; N358-E362 PolarHBondContact O-N 3.13Å |
| 359 | L | 98.3 | Very high | 97.7 | Very high | 109 Ų | 109 | 104 Ų | 104 | 57% | 0.571 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.9 | -38.4 | 177.7 | -71.8 | 173.5 | 0 | 0 | 0 | 112.5 | E355 Q361 E362 L363 | E355-L359 WeakPolarHBondContact O-CB 3.35Å; E355-L359 VanDerWaalsContact O-CG 3.28Å; E355-L359 WeakPolarHBondContact O-CG 3.5Å; E355-L359 PolarHBondContact O-N 3.35Å; L359-Q361 VanDerWaalsContact C-N 3.35Å; L359-E362 PolarHBondContact O-N 2.96Å; L359-L363 VanDerWaalsContact O-CB 3.29Å; L359-L363 WeakPolarHBondContact O-CB 3.3Å; L359-L363 PolarHBondContact O-N 3.28Å |
| 360 | K | 98.1 | Very high | 97.8 | Very high | 133 Ų | 133 | 105.1 Ų | 105.1 | 58% | 0.578 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64 | -41.4 | 174.2 | -78.6 | 172.3 | -179.7 | 167.4 | 0 | 111.6 | M356 A357 N358 L363 A364 | M356-K360 HydrophobicContact CG-CD 4.36Å; M356-K360 WeakPolarHBondContact O-CB 3.46Å; M356-K360 VanDerWaalsContact O-CG 3.27Å; M356-K360 WeakPolarHBondContact O-CG 3.4Å; M356-K360 PolarHBondContact O-N 2.9Å; A357-K360 PolarHBondContact O-N 3.23Å; N358-K360 VanDerWaalsContact C-N 3.32Å; N358-K360 PolarHBondContact O-N 3.48Å; K360-L363 PolarHBondContact O-N 3.33Å; K360-A364 WeakPolarHBondContact O-CB 3.27Å; K360-A364 PolarHBondContact O-N 3.02Å |
| 361 | Q | 98.4 | Very high | 97.7 | Very high | 140 Ų | 140 | 102 Ų | 102 | 65% | 0.654 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.5 | -45.3 | 176.7 | -178.9 | 176.5 | -11.6 | 0 | 0 | 111.5 | A357 N358 L359 L363 A364 S365 | A357-Q361 PolarHBondContact O-N 3.49Å; N358-Q361 WeakPolarHBondContact O-CB 3.36Å; N358-Q361 PolarHBondContact O-N 2.84Å; N358-Q361 VanDerWaalsContact O-N 3.13Å; L359-Q361 VanDerWaalsContact C-N 3.35Å; Q361-L363 VanDerWaalsContact C-N 3.33Å; Q361-L363 PolarHBondContact O-N 3.45Å; Q361-A364 PolarHBondContact O-N 3.16Å; Q361-S365 WeakPolarHBondContact O-CB 3.36Å; Q361-S365 PolarHBondContact O-N 2.9Å |
| 362 | E | 97.8 | Very high | 97.7 | Very high | 100 Ų | 100 | 105.8 Ų | 105.8 | 47% | 0.467 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 174.8 | -74.5 | -178.1 | -168.2 | 0 | 0 | 111.1 | N358 L359 A364 S365 V366 | N358-E362 PolarHBondContact ND2-OE1 3.27Å; N358-E362 WeakPolarHBondContact O-CG 3.42Å; N358-E362 PolarHBondContact O-N 3.13Å; L359-E362 PolarHBondContact O-N 2.96Å; E362-A364 PolarHBondContact O-N 3.37Å; E362-S365 PolarHBondContact O-N 3.29Å; E362-S365 PolarHBondContact O-OG 3.3Å; E362-V366 WeakPolarHBondContact O-CG2 3.26Å; E362-V366 PolarHBondContact O-N 3Å |
| 363 | L | 97.8 | Very high | 97.8 | Very high | 117 Ų | 117 | 105.3 Ų | 105.3 | 61% | 0.613 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.3 | -47.9 | 176.5 | -177 | 65.7 | 0 | 0 | 0 | 111.7 | L359 K360 Q361 S365 V366 E367 | L359-L363 VanDerWaalsContact O-CB 3.29Å; L359-L363 WeakPolarHBondContact O-CB 3.3Å; L359-L363 PolarHBondContact O-N 3.28Å; K360-L363 PolarHBondContact O-N 3.33Å; Q361-L363 VanDerWaalsContact C-N 3.33Å; Q361-L363 PolarHBondContact O-N 3.45Å; L363-S365 VanDerWaalsContact C-N 3.3Å; L363-S365 PolarHBondContact O-N 3.33Å; L363-V366 PolarHBondContact O-N 2.88Å; L363-E367 WeakPolarHBondContact O-CB 3.29Å; L363-E367 PolarHBondContact O-N 3.35Å |
| 364 | A | 97.9 | Very high | 97.7 | Very high | 53 Ų | 53 | 101.9 Ų | 101.9 | 44% | 0.438 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K360 Q361 E362 E367 E368 | K360-A364 WeakPolarHBondContact O-CB 3.27Å; K360-A364 PolarHBondContact O-N 3.02Å; Q361-A364 PolarHBondContact O-N 3.16Å; E362-A364 PolarHBondContact O-N 3.37Å; A364-E367 PolarHBondContact O-N 3.46Å; A364-E368 PolarHBondContact O-N 2.87Å |
| 365 | S | 97.9 | Very high | 97.7 | Very high | 53 Ų | 53 | 103.2 Ų | 103.2 | 37% | 0.371 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 177.6 | 79.5 | 0 | 0 | 0 | 0 | 112.6 | Q361 E362 L363 R369 | Q361-S365 WeakPolarHBondContact O-CB 3.36Å; Q361-S365 PolarHBondContact O-N 2.9Å; E362-S365 PolarHBondContact O-N 3.29Å; E362-S365 PolarHBondContact O-OG 3.3Å; L363-S365 VanDerWaalsContact C-N 3.3Å; L363-S365 PolarHBondContact O-N 3.33Å; S365-R369 VanDerWaalsContact O-CG 3.25Å; S365-R369 WeakPolarHBondContact O-CG 3.31Å; S365-R369 PolarHBondContact O-N 2.77Å; S365-R369 VanDerWaalsContact O-N 3.1Å |
| 366 | V | 97.6 | Very high | 97.7 | Very high | 80 Ų | 80 | 101 Ų | 101 | 49% | 0.485 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.9 | -41.2 | 176.3 | 170.7 | 0 | 0 | 0 | 0 | 110.1 | E362 L363 R369 V370 | E362-V366 WeakPolarHBondContact O-CG2 3.26Å; E362-V366 PolarHBondContact O-N 3Å; L363-V366 PolarHBondContact O-N 2.88Å; V366-R369 PolarHBondContact O-N 3.33Å; V366-V370 HydrophobicContact CG1-CG2 4.25Å; V366-V370 WeakPolarHBondContact O-CB 3.48Å; V366-V370 VanDerWaalsContact O-CG2 3.28Å; V366-V370 WeakPolarHBondContact O-CG2 3.31Å; V366-V370 PolarHBondContact O-N 3.39Å |
| 367 | E | 97.9 | Very high | 97.8 | Very high | 133 Ų | 133 | 104.7 Ų | 104.7 | 62% | 0.621 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.5 | -48.9 | 174.9 | -177.7 | 177.2 | 177.5 | 0 | 0 | 111.2 | L363 A364 R369 V370 A371 | L363-E367 WeakPolarHBondContact O-CB 3.29Å; L363-E367 PolarHBondContact O-N 3.35Å; A364-E367 PolarHBondContact O-N 3.46Å; E367-R369 PolarHBondContact O-N 2.94Å; E367-V370 PolarHBondContact O-N 3.34Å; E367-A371 VanDerWaalsContact O-CB 3.31Å; E367-A371 WeakPolarHBondContact O-CB 3.47Å; E367-A371 PolarHBondContact O-N 3.1Å |
| 368 | E | 97.9 | Very high | 97.8 | Very high | 146 Ų | 146 | 104.6 Ų | 104.6 | 68% | 0.682 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.1 | -44.6 | 177.5 | -173.4 | 178.1 | -175.7 | 0 | 0 | 111.6 | A364 V370 A371 Y372 | A364-E368 PolarHBondContact O-N 2.87Å; E368-V370 PolarHBondContact O-N 3.11Å; E368-A371 PolarHBondContact O-N 2.86Å; E368-Y372 WeakPolarHBondContact O-CB 3.42Å; E368-Y372 PolarHBondContact O-N 3.03Å |
| 369 | R | 97.6 | Very high | 97.8 | Very high | 193 Ų | 193 | 106.9 Ų | 106.9 | 73% | 0.728 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.5 | -39.9 | 178.1 | -71.3 | 176.2 | 73.4 | 175.3 | 5 | 112.5 | S365 V366 E367 Q373 | S365-R369 VanDerWaalsContact O-CG 3.25Å; S365-R369 WeakPolarHBondContact O-CG 3.31Å; S365-R369 PolarHBondContact O-N 2.77Å; S365-R369 VanDerWaalsContact O-N 3.1Å; V366-R369 PolarHBondContact O-N 3.33Å; E367-R369 PolarHBondContact O-N 2.94Å; R369-Q373 WeakPolarHBondContact O-CB 3.45Å; R369-Q373 PolarHBondContact O-N 2.96Å |
| 370 | V | 98.1 | Very high | 97.8 | Very high | 84 Ų | 84 | 105.7 Ų | 105.7 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.6 | -43.3 | 177.1 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | V366 E367 E368 Q373 A374 | V366-V370 HydrophobicContact CG1-CG2 4.25Å; V366-V370 WeakPolarHBondContact O-CB 3.48Å; V366-V370 VanDerWaalsContact O-CG2 3.28Å; V366-V370 WeakPolarHBondContact O-CG2 3.31Å; V366-V370 PolarHBondContact O-N 3.39Å; E367-V370 PolarHBondContact O-N 3.34Å; E368-V370 PolarHBondContact O-N 3.11Å; V370-Q373 PolarHBondContact O-N 3.25Å; V370-A374 WeakPolarHBondContact O-CB 3.42Å; V370-A374 PolarHBondContact O-N 3.37Å |
| 371 | A | 97.4 | Very high | 97.7 | Very high | 58 Ų | 58 | 105 Ų | 105 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | E367 E368 A374 Q375 | E367-A371 VanDerWaalsContact O-CB 3.31Å; E367-A371 WeakPolarHBondContact O-CB 3.47Å; E367-A371 PolarHBondContact O-N 3.1Å; E368-A371 PolarHBondContact O-N 2.86Å; A371-A374 PolarHBondContact O-N 2.87Å; A371-Q375 WeakPolarHBondContact O-CB 3.46Å; A371-Q375 PolarHBondContact O-N 3.41Å |
| 372 | Y | 98.3 | Very high | 97.7 | Very high | 167 Ų | 167 | 103.6 Ų | 103.6 | 66% | 0.655 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.5 | -45.7 | 175.9 | -173.4 | -95.9 | 0 | 0 | 0 | 112 | E368 A374 Q375 E376 | E368-Y372 WeakPolarHBondContact O-CB 3.42Å; E368-Y372 PolarHBondContact O-N 3.03Å; Y372-A374 VanDerWaalsContact C-N 3.33Å; Y372-A374 PolarHBondContact O-N 3.15Å; Y372-Q375 PolarHBondContact O-N 2.89Å; Y372-E376 PolarHBondContact O-N 2.72Å |
| 373 | Q | 97.8 | Very high | 97.7 | Very high | 99 Ų | 99 | 103.5 Ų | 103.5 | 46% | 0.463 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.2 | -39 | 178.1 | -175.1 | 177.5 | 14.5 | 0 | 0 | 112.5 | R369 V370 R377 | R369-Q373 WeakPolarHBondContact O-CB 3.45Å; R369-Q373 PolarHBondContact O-N 2.96Å; V370-Q373 PolarHBondContact O-N 3.25Å; Q373-R377 WeakPolarHBondContact O-CG 3.25Å; Q373-R377 PolarHBondContact O-N 3.1Å |
| 374 | A | 96.5 | Very high | 97.7 | Very high | 59 Ų | 59 | 101 Ų | 101 | 49% | 0.488 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V370 A371 Y372 R377 A378 | V370-A374 WeakPolarHBondContact O-CB 3.42Å; V370-A374 PolarHBondContact O-N 3.37Å; A371-A374 PolarHBondContact O-N 2.87Å; Y372-A374 VanDerWaalsContact C-N 3.33Å; Y372-A374 PolarHBondContact O-N 3.15Å; A374-R377 PolarHBondContact O-N 3.25Å; A374-A378 WeakPolarHBondContact O-CB 3.3Å; A374-A378 PolarHBondContact O-N 2.92Å |
| 375 | Q | 97.6 | Very high | 97.6 | Very high | 137 Ų | 137 | 103.9 Ų | 103.9 | 64% | 0.64 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.4 | -41.9 | 177 | -171.9 | 64.1 | 14.3 | 0 | 0 | 111.9 | A371 Y372 A378 R379 | A371-Q375 WeakPolarHBondContact O-CB 3.46Å; A371-Q375 PolarHBondContact O-N 3.41Å; Y372-Q375 PolarHBondContact O-N 2.89Å; Q375-A378 PolarHBondContact O-N 3.17Å; Q375-R379 PolarHBondContact O-N 2.93Å |
| 376 | E | 97.9 | Very high | 97.6 | Very high | 58 Ų | 58 | 105.9 Ų | 105.9 | 27% | 0.271 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 177.5 | -170.8 | 66.3 | 169.3 | 0 | 0 | 111.6 | Y372 A378 R379 D380 | Y372-E376 PolarHBondContact O-N 2.72Å; E376-A378 VanDerWaalsContact C-N 3.31Å; E376-A378 PolarHBondContact O-N 3.37Å; E376-R379 WeakPolarHBondContact O-CB 3.42Å; E376-R379 PolarHBondContact O-N 2.83Å; E376-R379 VanDerWaalsContact O-N 3.12Å; E376-R379 IonicContact OE1-CZ 3.22Å; E376-R379 IonicContact OE1-NE 2.91Å; E376-R379 IonicContact OE1-NH2 3.79Å; E376-R379 PolarHBondContact OE1-NH2 3.3Å; E376-R379 IonicContact OE2-CZ 3.45Å; E376-R379 IonicContact OE2-NE 3.74Å; E376-R379 PolarHBondContact OE2-NE 3.19Å; E376-R379 IonicContact OE2-NH2 2.82Å; E376-R379 PolarHBondContact OE2-NH2 2.81Å; E376-D380 PolarHBondContact O-N 2.88Å |
| 377 | R | 97.6 | Very high | 97.6 | Very high | 154 Ų | 154 | 105.3 Ų | 105.3 | 58% | 0.581 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.1 | -38 | 173.2 | -77.1 | -166.9 | -176.8 | 146.1 | 1.9 | 113 | Q373 A374 R379 D380 I381 | Q373-R377 WeakPolarHBondContact O-CG 3.25Å; Q373-R377 PolarHBondContact O-N 3.1Å; A374-R377 PolarHBondContact O-N 3.25Å; R377-R379 VanDerWaalsContact C-N 3.28Å; R377-D380 PolarHBondContact O-N 3.32Å; R377-I381 WeakPolarHBondContact O-CD1 3.32Å; R377-I381 VanDerWaalsContact O-CG1 3.24Å; R377-I381 WeakPolarHBondContact O-CG1 3.48Å; R377-I381 PolarHBondContact O-N 3.42Å; R377-I381 VanDerWaalsContact O-N 3.08Å |
| 378 | A | 97.8 | Very high | 97.5 | Very high | 50 Ų | 50 | 102.2 Ų | 102.2 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A374 Q375 E376 I381 Q382 | A374-A378 WeakPolarHBondContact O-CB 3.3Å; A374-A378 PolarHBondContact O-N 2.92Å; Q375-A378 PolarHBondContact O-N 3.17Å; E376-A378 VanDerWaalsContact C-N 3.31Å; E376-A378 PolarHBondContact O-N 3.37Å; A378-I381 PolarHBondContact O-N 2.96Å; A378-Q382 WeakPolarHBondContact O-CB 3.48Å; A378-Q382 PolarHBondContact O-N 2.74Å |
| 379 | R | 98 | Very high | 97.4 | Very high | 122 Ų | 122 | 101.1 Ų | 101.1 | 46% | 0.46 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -48.2 | 175.3 | -167.9 | 168.7 | 76.6 | 115.4 | 2.7 | 112.2 | Q375 E376 R377 I381 Q382 E383 | Q375-R379 PolarHBondContact O-N 2.93Å; E376-R379 WeakPolarHBondContact O-CB 3.42Å; E376-R379 PolarHBondContact O-N 2.83Å; E376-R379 VanDerWaalsContact O-N 3.12Å; E376-R379 IonicContact OE1-CZ 3.22Å; E376-R379 IonicContact OE1-NE 2.91Å; E376-R379 IonicContact OE1-NH2 3.79Å; E376-R379 PolarHBondContact OE1-NH2 3.3Å; E376-R379 IonicContact OE2-CZ 3.45Å; E376-R379 IonicContact OE2-NE 3.74Å; E376-R379 PolarHBondContact OE2-NE 3.19Å; E376-R379 IonicContact OE2-NH2 2.82Å; E376-R379 PolarHBondContact OE2-NH2 2.81Å; R377-R379 VanDerWaalsContact C-N 3.28Å; R379-I381 VanDerWaalsContact C-N 3.27Å; R379-I381 PolarHBondContact O-N 3.32Å; R379-Q382 WeakPolarHBondContact O-CB 3.28Å; R379-Q382 PolarHBondContact O-N 2.94Å; R379-E383 IonicContact NH1-OE1 3.68Å; R379-E383 WeakPolarHBondContact O-CG 3.44Å; R379-E383 PolarHBondContact O-N 3.37Å |
| 380 | D | 98.2 | Very high | 97.4 | Very high | 84 Ų | 84 | 95.5 Ų | 95.5 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -56.5 | -42.1 | 176 | -69.4 | -22.2 | 0 | 0 | 0 | 111.9 | E376 R377 A384 | E376-D380 PolarHBondContact O-N 2.88Å; R377-D380 PolarHBondContact O-N 3.32Å; D380-A384 WeakPolarHBondContact O-CB 3.34Å; D380-A384 PolarHBondContact O-N 3.47Å |
| 381 | I | 96.8 | Very high | 97.2 | Very high | 118 Ų | 118 | 99.8 Ų | 99.8 | 61% | 0.605 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.1 | -41.8 | 176.9 | -68.3 | 166.8 | 0 | 0 | 0 | 110.8 | R377 A378 R379 A384 L385 | R377-I381 WeakPolarHBondContact O-CD1 3.32Å; R377-I381 VanDerWaalsContact O-CG1 3.24Å; R377-I381 WeakPolarHBondContact O-CG1 3.48Å; R377-I381 PolarHBondContact O-N 3.42Å; R377-I381 VanDerWaalsContact O-N 3.08Å; A378-I381 PolarHBondContact O-N 2.96Å; R379-I381 VanDerWaalsContact C-N 3.27Å; R379-I381 PolarHBondContact O-N 3.32Å; I381-A384 PolarHBondContact O-N 3.48Å; I381-L385 WeakPolarHBondContact O-CB 3.43Å; I381-L385 PolarHBondContact O-N 3.28Å |
| 382 | Q | 97.8 | Very high | 97.1 | Very high | 111 Ų | 111 | 100 Ų | 100 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 176.3 | -178.8 | 177.2 | -20.5 | 0 | 0 | 111 | A378 R379 A384 L385 E386 | A378-Q382 WeakPolarHBondContact O-CB 3.48Å; A378-Q382 PolarHBondContact O-N 2.74Å; R379-Q382 WeakPolarHBondContact O-CB 3.28Å; R379-Q382 PolarHBondContact O-N 2.94Å; Q382-A384 VanDerWaalsContact C-N 3.34Å; Q382-A384 PolarHBondContact O-N 2.94Å; Q382-L385 WeakPolarHBondContact O-CB 3.39Å; Q382-L385 PolarHBondContact O-N 3.32Å; Q382-L385 VanDerWaalsContact O-N 3.14Å; Q382-E386 HydrophobicContact CG-CG 4.49Å; Q382-E386 WeakPolarHBondContact CG-OE1 3.33Å; Q382-E386 PolarHBondContact NE2-OE1 2.63Å; Q382-E386 WeakPolarHBondContact O-CG 3.25Å; Q382-E386 PolarHBondContact O-N 2.86Å |
| 383 | E | 97.8 | Very high | 96.9 | Very high | 98 Ų | 98 | 94.9 Ų | 94.9 | 46% | 0.458 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62 | -41 | 177.1 | -69.9 | -179.9 | -172.3 | 0 | 0 | 111.8 | R379 L385 E386 S387 | R379-E383 IonicContact NH1-OE1 3.68Å; R379-E383 WeakPolarHBondContact O-CG 3.44Å; R379-E383 PolarHBondContact O-N 3.37Å; E383-L385 VanDerWaalsContact C-N 3.33Å; E383-L385 PolarHBondContact O-N 2.82Å; E383-E386 PolarHBondContact O-N 3.29Å; E383-S387 WeakPolarHBondContact O-CB 3.4Å; E383-S387 PolarHBondContact O-N 2.96Å |
| 384 | A | 97.4 | Very high | 96.7 | Very high | 63 Ų | 63 | 97 Ų | 97 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D380 I381 Q382 C388 | D380-A384 WeakPolarHBondContact O-CB 3.34Å; D380-A384 PolarHBondContact O-N 3.47Å; I381-A384 PolarHBondContact O-N 3.48Å; Q382-A384 VanDerWaalsContact C-N 3.34Å; Q382-A384 PolarHBondContact O-N 2.94Å; A384-C388 WeakPolarHBondContact O-CB 3.29Å; A384-C388 PolarHBondContact O-N 2.9Å |
| 385 | L | 97.1 | Very high | 96.3 | Very high | 114 Ų | 114 | 99.4 Ų | 99.4 | 60% | 0.597 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.7 | -44.9 | 176.4 | -174.2 | 68.6 | 0 | 0 | 0 | 111.2 | I381 Q382 E383 S387 C388 Q389 | I381-L385 WeakPolarHBondContact O-CB 3.43Å; I381-L385 PolarHBondContact O-N 3.28Å; Q382-L385 WeakPolarHBondContact O-CB 3.39Å; Q382-L385 PolarHBondContact O-N 3.32Å; Q382-L385 VanDerWaalsContact O-N 3.14Å; E383-L385 VanDerWaalsContact C-N 3.33Å; E383-L385 PolarHBondContact O-N 2.82Å; L385-S387 VanDerWaalsContact C-N 3.33Å; L385-S387 PolarHBondContact O-N 3.37Å; L385-C388 WeakPolarHBondContact O-CB 3.38Å; L385-C388 PolarHBondContact O-N 2.95Å; L385-Q389 WeakPolarHBondContact O-CB 3.17Å; L385-Q389 PolarHBondContact O-N 2.75Å |
| 386 | E | 97.4 | Very high | 96 | Very high | 95 Ų | 95 | 97.8 Ų | 97.8 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.4 | -40 | 176.2 | -72.7 | 175.2 | -169 | 0 | 0 | 111.7 | Q382 E383 Q389 T390 | Q382-E386 HydrophobicContact CG-CG 4.49Å; Q382-E386 WeakPolarHBondContact CG-OE1 3.33Å; Q382-E386 PolarHBondContact NE2-OE1 2.63Å; Q382-E386 WeakPolarHBondContact O-CG 3.25Å; Q382-E386 PolarHBondContact O-N 2.86Å; E383-E386 PolarHBondContact O-N 3.29Å; E386-Q389 PolarHBondContact O-N 3.37Å; E386-T390 WeakPolarHBondContact O-CB 3.11Å; E386-T390 PolarHBondContact O-N 3.27Å; E386-T390 PolarHBondContact O-OG1 2.86Å |
| 387 | S | 96.6 | Very high | 95.5 | Very high | 69 Ų | 69 | 100.1 Ų | 100.1 | 48% | 0.483 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 172.8 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | E383 L385 T390 R391 | E383-S387 WeakPolarHBondContact O-CB 3.4Å; E383-S387 PolarHBondContact O-N 2.96Å; L385-S387 VanDerWaalsContact C-N 3.33Å; L385-S387 PolarHBondContact O-N 3.37Å; S387-T390 PolarHBondContact O-N 3.42Å; S387-R391 WeakPolarHBondContact O-CG 3.34Å; S387-R391 PolarHBondContact O-N 3.34Å |
| 388 | C | 96.2 | Very high | 94.8 | Very high | 67 Ų | 67 | 98.4 Ų | 98.4 | 45% | 0.453 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 175.2 | -172.2 | 0 | 0 | 0 | 0 | 111.5 | A384 L385 T390 R391 V392 | A384-C388 WeakPolarHBondContact O-CB 3.29Å; A384-C388 PolarHBondContact O-N 2.9Å; L385-C388 WeakPolarHBondContact O-CB 3.38Å; L385-C388 PolarHBondContact O-N 2.95Å; C388-T390 VanDerWaalsContact C-N 3.32Å; C388-T390 PolarHBondContact O-N 3.33Å; C388-R391 WeakPolarHBondContact O-CB 3.49Å; C388-R391 PolarHBondContact O-N 3.41Å; C388-R391 VanDerWaalsContact O-N 3.1Å; C388-V392 WeakPolarHBondContact O-CG2 3.12Å; C388-V392 PolarHBondContact O-N 2.77Å |
| 389 | Q | 96.6 | Very high | 93.9 | Very high | 123 Ų | 123 | 101.7 Ų | 101.7 | 58% | 0.575 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57.1 | -46.4 | 176.4 | -179.3 | 176.5 | -11.1 | 0 | 0 | 111 | L385 E386 R391 V392 S393 | L385-Q389 WeakPolarHBondContact O-CB 3.17Å; L385-Q389 PolarHBondContact O-N 2.75Å; E386-Q389 PolarHBondContact O-N 3.37Å; Q389-R391 VanDerWaalsContact C-N 3.3Å; Q389-R391 PolarHBondContact O-N 3.2Å; Q389-V392 PolarHBondContact O-N 3.15Å; Q389-S393 PolarHBondContact O-N 2.83Å; Q389-S393 PolarHBondContact O-OG 3.47Å |
| 390 | T | 95.8 | Very high | 93 | Very high | 75 Ų | 75 | 101.9 Ų | 101.9 | 46% | 0.46 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.9 | -41.1 | 176.6 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | E386 S387 C388 K394 | E386-T390 WeakPolarHBondContact O-CB 3.11Å; E386-T390 PolarHBondContact O-N 3.27Å; E386-T390 PolarHBondContact O-OG1 2.86Å; S387-T390 PolarHBondContact O-N 3.42Å; C388-T390 VanDerWaalsContact C-N 3.32Å; C388-T390 PolarHBondContact O-N 3.33Å; T390-K394 WeakPolarHBondContact O-CB 3.12Å; T390-K394 WeakPolarHBondContact O-CG 3.31Å; T390-K394 PolarHBondContact O-N 3.43Å |
| 391 | R | 95.1 | Very high | 91.9 | Very high | 174 Ų | 174 | 103.9 Ų | 103.9 | 66% | 0.657 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.5 | -42.4 | 176.3 | -72.9 | 175.6 | 66 | 161.8 | 2.3 | 112 | S387 C388 Q389 K394 L395 | S387-R391 WeakPolarHBondContact O-CG 3.34Å; S387-R391 PolarHBondContact O-N 3.34Å; C388-R391 WeakPolarHBondContact O-CB 3.49Å; C388-R391 PolarHBondContact O-N 3.41Å; C388-R391 VanDerWaalsContact O-N 3.1Å; Q389-R391 VanDerWaalsContact C-N 3.3Å; Q389-R391 PolarHBondContact O-N 3.2Å; R391-K394 PolarHBondContact O-N 2.99Å; R391-L395 WeakPolarHBondContact O-CG 3.43Å; R391-L395 PolarHBondContact O-N 3.17Å |
| 392 | V | 94.7 | Very high | 90.2 | Very high | 64 Ų | 64 | 104 Ų | 104 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 175.5 | 171.8 | 0 | 0 | 0 | 0 | 109.8 | C388 Q389 K394 L395 E396 | C388-V392 WeakPolarHBondContact O-CG2 3.12Å; C388-V392 PolarHBondContact O-N 2.77Å; Q389-V392 PolarHBondContact O-N 3.15Å; V392-K394 VanDerWaalsContact C-N 3.3Å; V392-K394 PolarHBondContact O-N 3.05Å; V392-L395 CarbonylContact O-C 3.55Å; V392-L395 WeakPolarHBondContact O-CA 3.38Å; V392-L395 WeakPolarHBondContact O-CB 3.46Å; V392-L395 PolarHBondContact O-N 2.82Å; V392-E396 HydrophobicContact CG1-CG 4.2Å; V392-E396 WeakPolarHBondContact O-CB 3.28Å; V392-E396 WeakPolarHBondContact O-CG 3.35Å; V392-E396 PolarHBondContact O-N 3.24Å |
| 393 | S | 94 | Very high | 88.4 | Confident | 58 Ų | 58 | 103.7 Ų | 103.7 | 41% | 0.406 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.5 | -36.7 | 177 | -60.6 | 0 | 0 | 0 | 0 | 112.8 | Q389 E396 L397 | Q389-S393 PolarHBondContact O-N 2.83Å; Q389-S393 PolarHBondContact O-OG 3.47Å; S393-E396 PolarHBondContact O-N 2.84Å; S393-L397 WeakPolarHBondContact O-CB 3.34Å; S393-L397 PolarHBondContact O-N 3.24Å |
| 394 | K | 93.3 | Very high | 86.4 | Confident | 143 Ų | 143 | 105.6 Ų | 105.6 | 62% | 0.622 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.7 | -43.1 | 172.2 | -78.3 | 179 | -178.9 | 178.7 | 0 | 112.2 | T390 R391 V392 L397 Q398 | T390-K394 WeakPolarHBondContact O-CB 3.12Å; T390-K394 WeakPolarHBondContact O-CG 3.31Å; T390-K394 PolarHBondContact O-N 3.43Å; R391-K394 PolarHBondContact O-N 2.99Å; V392-K394 VanDerWaalsContact C-N 3.3Å; V392-K394 PolarHBondContact O-N 3.05Å; K394-L397 PolarHBondContact O-N 3.44Å; K394-Q398 WeakPolarHBondContact O-CB 3.25Å; K394-Q398 PolarHBondContact O-N 3.45Å |
| 395 | L | 89.3 | Confident | 84.3 | Confident | 110 Ų | 110 | 106.5 Ų | 106.5 | 58% | 0.576 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.5 | -38.9 | 176.6 | -73.6 | 173.9 | 0 | 0 | 0 | 111.7 | R391 V392 Q398 Q399 | R391-L395 WeakPolarHBondContact O-CG 3.43Å; R391-L395 PolarHBondContact O-N 3.17Å; V392-L395 CarbonylContact O-C 3.55Å; V392-L395 WeakPolarHBondContact O-CA 3.38Å; V392-L395 WeakPolarHBondContact O-CB 3.46Å; V392-L395 PolarHBondContact O-N 2.82Å; L395-Q398 PolarHBondContact O-N 3.04Å; L395-Q399 VanDerWaalsContact O-CB 3.22Å; L395-Q399 WeakPolarHBondContact O-CB 3.04Å; L395-Q399 PolarHBondContact O-N 3.39Å |
| 396 | E | 90.1 | Very high | 82.2 | Confident | 104 Ų | 104 | 103.9 Ų | 103.9 | 49% | 0.486 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 174.5 | -74.1 | 176 | 165.6 | 0 | 0 | 111.1 | V392 S393 Q399 Q400 | V392-E396 HydrophobicContact CG1-CG 4.2Å; V392-E396 WeakPolarHBondContact O-CB 3.28Å; V392-E396 WeakPolarHBondContact O-CG 3.35Å; V392-E396 PolarHBondContact O-N 3.24Å; S393-E396 PolarHBondContact O-N 2.84Å; E396-Q399 WeakPolarHBondContact O-CB 3.37Å; E396-Q399 PolarHBondContact O-N 2.88Å; E396-Q400 WeakPolarHBondContact O-CG 3.24Å; E396-Q400 PolarHBondContact O-N 3.12Å |
| 397 | L | 87.8 | Confident | 79.8 | Confident | 106 Ų | 106 | 105.7 Ų | 105.7 | 56% | 0.555 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 174.9 | -169.3 | 87.5 | 0 | 0 | 0 | 111.5 | S393 K394 Q399 Q400 H401 | S393-L397 WeakPolarHBondContact O-CB 3.34Å; S393-L397 PolarHBondContact O-N 3.24Å; K394-L397 PolarHBondContact O-N 3.44Å; L397-Q399 VanDerWaalsContact C-N 3.32Å; L397-Q400 PolarHBondContact O-N 3.3Å; L397-H401 PolarHBondContact O-N 2.94Å |
| 398 | Q | 83.4 | Confident | 77.7 | Confident | 119 Ų | 119 | 110.3 Ų | 110.3 | 56% | 0.556 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.8 | -41.2 | 175.2 | -177.1 | 179.3 | -21.4 | 0 | 0 | 110.8 | K394 L395 H401 Q402 | K394-Q398 WeakPolarHBondContact O-CB 3.25Å; K394-Q398 PolarHBondContact O-N 3.45Å; L395-Q398 PolarHBondContact O-N 3.04Å; Q398-H401 PolarHBondContact O-N 2.82Å; Q398-Q402 VanDerWaalsContact O-CB 3.28Å; Q398-Q402 WeakPolarHBondContact O-CB 3.38Å; Q398-Q402 PolarHBondContact O-N 3.04Å |
| 399 | Q | 79 | Confident | 75.6 | Confident | 119 Ų | 119 | 114.4 Ų | 114.4 | 56% | 0.556 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.5 | -43.7 | 174.3 | -174 | -173.3 | 44.8 | 0 | 0 | 110.6 | L395 E396 L397 Q402 Q403 | L395-Q399 VanDerWaalsContact O-CB 3.22Å; L395-Q399 WeakPolarHBondContact O-CB 3.04Å; L395-Q399 PolarHBondContact O-N 3.39Å; E396-Q399 WeakPolarHBondContact O-CB 3.37Å; E396-Q399 PolarHBondContact O-N 2.88Å; L397-Q399 VanDerWaalsContact C-N 3.32Å; Q399-Q402 CarbonylContact O-C 3.59Å; Q399-Q402 PolarHBondContact O-N 2.89Å; Q399-Q403 WeakPolarHBondContact O-CB 3.44Å; Q399-Q403 PolarHBondContact O-N 3.08Å |
| 400 | Q | 78.9 | Confident | 73.7 | Confident | 126 Ų | 126 | 111.2 Ų | 111.2 | 59% | 0.589 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.9 | -44 | 175.9 | -78.5 | -174.4 | -20.1 | 0 | 0 | 112 | E396 L397 Q402 Q403 Q404 | E396-Q400 WeakPolarHBondContact O-CG 3.24Å; E396-Q400 PolarHBondContact O-N 3.12Å; L397-Q400 PolarHBondContact O-N 3.3Å; Q400-Q402 PolarHBondContact O-N 3.25Å; Q400-Q403 PolarHBondContact O-N 3.13Å; Q400-Q404 WeakPolarHBondContact O-CB 3.46Å; Q400-Q404 PolarHBondContact O-N 3.38Å |
| 401 | H | 74.4 | Confident | 72 | Confident | 125 Ų | 125 | 112.9 Ų | 112.9 | 58% | 0.579 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.8 | -45.3 | 174.1 | -111.8 | 99.6 | 0 | 0 | 0 | 111.5 | L397 Q398 Q403 Q404 T405 | L397-H401 PolarHBondContact O-N 2.94Å; Q398-H401 PolarHBondContact O-N 2.82Å; H401-Q403 VanDerWaalsContact C-N 3.3Å; H401-Q403 PolarHBondContact O-N 3.31Å; H401-Q404 PolarHBondContact O-N 3.46Å; H401-T405 PolarHBondContact O-N 3.3Å; H401-T405 PolarHBondContact O-OG1 2.95Å |
| 402 | Q | 62.6 | Low | 70.3 | Confident | 121 Ų | 121 | 110.3 Ų | 110.3 | 57% | 0.565 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.9 | -32.1 | 178 | -158.2 | 170.4 | 50.6 | 0 | 0 | 111.6 | Q398 Q399 Q400 T405 V406 | Q398-Q402 VanDerWaalsContact O-CB 3.28Å; Q398-Q402 WeakPolarHBondContact O-CB 3.38Å; Q398-Q402 PolarHBondContact O-N 3.04Å; Q399-Q402 CarbonylContact O-C 3.59Å; Q399-Q402 PolarHBondContact O-N 2.89Å; Q400-Q402 PolarHBondContact O-N 3.25Å; Q402-T405 VanDerWaalsContact CA-OG1 3.29Å; Q402-T405 WeakPolarHBondContact CA-OG1 3.26Å; Q402-T405 PolarHBondContact O-N 2.94Å; Q402-T405 PolarHBondContact O-OG1 3.06Å; Q402-V406 VanDerWaalsContact O-CB 3.26Å; Q402-V406 WeakPolarHBondContact O-CB 3.46Å; Q402-V406 WeakPolarHBondContact O-CG2 3.49Å; Q402-V406 PolarHBondContact O-N 2.93Å |
| 403 | Q | 58.9 | Low | 68.7 | Low | 105 Ų | 105 | 109.9 Ų | 109.9 | 49% | 0.491 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -75.7 | -26 | 176.2 | -160.2 | 172.1 | 38.8 | 0 | 0 | 111.9 | Q399 Q400 H401 Q407 R414 | Q399-Q403 WeakPolarHBondContact O-CB 3.44Å; Q399-Q403 PolarHBondContact O-N 3.08Å; Q400-Q403 PolarHBondContact O-N 3.13Å; H401-Q403 VanDerWaalsContact C-N 3.3Å; H401-Q403 PolarHBondContact O-N 3.31Å; Q403-Q407 WeakPolarHBondContact O-CB 3.49Å; Q403-Q407 PolarHBondContact O-N 2.85Å; Q403-R414 PolarHBondContact O-NH2 2.91Å |
| 404 | Q | 56.6 | Low | 67.2 | Low | 137 Ų | 137 | 111.9 Ų | 111.9 | 64% | 0.64 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -77 | -37.6 | 170.5 | -164.6 | 166.5 | 7 | 0 | 0 | 111.5 | Q400 H401 Q407 L408 | Q400-Q404 WeakPolarHBondContact O-CB 3.46Å; Q400-Q404 PolarHBondContact O-N 3.38Å; H401-Q404 PolarHBondContact O-N 3.46Å; Q404-Q407 WeakPolarHBondContact O-CB 3.39Å; Q404-Q407 PolarHBondContact O-N 2.84Å; Q404-L408 PolarHBondContact O-N 2.81Å |
| 405 | T | 53.3 | Low | 66 | Low | 83 Ų | 83 | 108.5 Ų | 108.5 | 51% | 0.509 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.7 | -35.3 | 169.9 | 56 | 0 | 0 | 0 | 0 | 112.4 | H401 Q402 Q407 L408 E409 | H401-T405 PolarHBondContact O-N 3.3Å; H401-T405 PolarHBondContact O-OG1 2.95Å; Q402-T405 VanDerWaalsContact CA-OG1 3.29Å; Q402-T405 WeakPolarHBondContact CA-OG1 3.26Å; Q402-T405 PolarHBondContact O-N 2.94Å; Q402-T405 PolarHBondContact O-OG1 3.06Å; T405-Q407 VanDerWaalsContact C-N 3.31Å; T405-L408 VanDerWaalsContact O-CB 3.3Å; T405-L408 WeakPolarHBondContact O-CB 3.35Å; T405-L408 PolarHBondContact O-N 2.8Å; T405-L408 VanDerWaalsContact O-N 3.15Å; T405-E409 PolarHBondContact O-N 3.41Å; T405-E409 VanDerWaalsContact O-N 3.08Å |
| 406 | V | 52.8 | Low | 65 | Low | 58 Ų | 58 | 109.3 Ų | 109.3 | 35% | 0.352 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -77.4 | -15.2 | 172.4 | 173.8 | 0 | 0 | 0 | 0 | 112.1 | Q402 E409 | Q402-V406 VanDerWaalsContact O-CB 3.26Å; Q402-V406 WeakPolarHBondContact O-CB 3.46Å; Q402-V406 WeakPolarHBondContact O-CG2 3.49Å; Q402-V406 PolarHBondContact O-N 2.93Å; V406-E409 CarbonylContact O-C 3.37Å; V406-E409 PolarHBondContact O-N 3.36Å |
| 407 | Q | 47.4 | Very low | 64.1 | Low | 134 Ų | 134 | 109.5 Ų | 109.5 | 63% | 0.626 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -71.8 | -22.8 | 166.5 | -144.3 | 174.7 | 59.2 | 0 | 0 | 111.5 | Q403 Q404 T405 R414 | Q403-Q407 WeakPolarHBondContact O-CB 3.49Å; Q403-Q407 PolarHBondContact O-N 2.85Å; Q404-Q407 WeakPolarHBondContact O-CB 3.39Å; Q404-Q407 PolarHBondContact O-N 2.84Å; T405-Q407 VanDerWaalsContact C-N 3.31Å; Q407-R414 VanDerWaalsContact CG-NH2 3.33Å |
| 408 | L | 50.6 | Low | 63.5 | Low | 165 Ų | 165 | 106.4 Ų | 106.4 | 86% | 0.864 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -83.3 | -31 | 169.5 | -159.7 | 68.5 | 0 | 0 | 0 | 111.8 | Q404 T405 | Q404-L408 PolarHBondContact O-N 2.81Å; T405-L408 VanDerWaalsContact O-CB 3.3Å; T405-L408 WeakPolarHBondContact O-CB 3.35Å; T405-L408 PolarHBondContact O-N 2.8Å; T405-L408 VanDerWaalsContact O-N 3.15Å |
| 409 | E | 52.4 | Low | 63.3 | Low | 153 Ų | 153 | 106.9 Ų | 106.9 | 72% | 0.715 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -104 | 89.3 | 179.6 | -152.4 | -177.8 | 162.5 | 0 | 0 | 112.6 | T405 V406 | T405-E409 PolarHBondContact O-N 3.41Å; T405-E409 VanDerWaalsContact O-N 3.08Å; V406-E409 CarbonylContact O-C 3.37Å; V406-E409 PolarHBondContact O-N 3.36Å |
| 410 | S | 57.1 | Low | 63.2 | Low | 57 Ų | 57 | 103.5 Ų | 103.5 | 40% | 0.399 | 55% | 0.548 | S | S | . | . | trans | 80.7 | 103.5 | 162.7 | -156.9 | 0 | 0 | 0 | 0 | 118.3 | D412 A413 | S410-D412 PolarHBondContact O-N 2.83Å; S410-D412 VanDerWaalsContact O-N 3.09Å; S410-D412 WeakPolarHBondContact OG-CB 3.24Å; S410-A413 PolarHBondContact O-N 3.2Å | ||
| 411 | P | 60.3 | Low | 63.5 | Low | 110 Ų | 110 | 101.8 Ų | 101.8 | 71% | 0.714 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.9 | -16.3 | 169.7 | 26 | -33.9 | 0 | 0 | 0 | 113.3 | ||
| 412 | D | 60.4 | Low | 63.9 | Low | 120 Ų | 120 | 101.3 Ų | 101.3 | 64% | 0.642 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -72.9 | -33.4 | -174.9 | -130.3 | 2.4 | 0 | 0 | 0 | 112.8 | S410 R414 V415 L416 | S410-D412 PolarHBondContact O-N 2.83Å; S410-D412 VanDerWaalsContact O-N 3.09Å; S410-D412 WeakPolarHBondContact OG-CB 3.24Å; D412-R414 PolarHBondContact O-N 2.94Å; D412-V415 PolarHBondContact O-N 3.43Å; D412-L416 PolarHBondContact O-N 3.41Å |
| 413 | A | 59.3 | Low | 65.1 | Low | 54 Ų | 54 | 100.5 Ų | 100.5 | 45% | 0.446 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.7 | -32.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S410 L416 L417 | S410-A413 PolarHBondContact O-N 3.2Å; A413-L416 PolarHBondContact O-N 2.89Å; A413-L417 WeakPolarHBondContact O-CB 3.46Å; A413-L417 PolarHBondContact O-N 3.22Å |
| 414 | R | 62.5 | Low | 66.3 | Low | 101 Ų | 101 | 100.6 Ų | 100.6 | 38% | 0.381 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.9 | -36.4 | 176.8 | -63.5 | -171.8 | -177.8 | -139.4 | -1.7 | 111.8 | Q403 Q407 D412 G418 | Q403-R414 PolarHBondContact O-NH2 2.91Å; Q407-R414 VanDerWaalsContact CG-NH2 3.33Å; D412-R414 PolarHBondContact O-N 2.94Å; R414-G418 PolarHBondContact O-N 3.29Å; R414-G418 VanDerWaalsContact O-N 3.1Å |
| 415 | V | 68.3 | Low | 67.7 | Low | 72 Ų | 72 | 98.5 Ų | 98.5 | 44% | 0.436 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.1 | -39.4 | 174.8 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | D412 G418 K419 | D412-V415 PolarHBondContact O-N 3.43Å; V415-G418 PolarHBondContact O-N 3Å; V415-K419 HydrophobicContact CG1-CD 4.08Å; V415-K419 WeakPolarHBondContact O-CB 3.38Å; V415-K419 VanDerWaalsContact O-CG 3.28Å; V415-K419 WeakPolarHBondContact O-CG 3.34Å; V415-K419 PolarHBondContact O-N 3.43Å |
| 416 | L | 68.4 | Low | 69.3 | Low | 127 Ų | 127 | 97 Ų | 97 | 67% | 0.665 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.7 | -42.4 | 176 | -153.1 | 87.5 | 0 | 0 | 0 | 112.1 | D412 A413 K419 S420 | D412-L416 PolarHBondContact O-N 3.41Å; A413-L416 PolarHBondContact O-N 2.89Å; L416-K419 PolarHBondContact O-N 3.37Å; L416-S420 WeakPolarHBondContact O-CB 3.24Å; L416-S420 PolarHBondContact O-N 2.86Å; L416-S420 PolarHBondContact O-OG 3.06Å |
| 417 | L | 72.6 | Confident | 70.9 | Confident | 107 Ų | 107 | 98 Ų | 98 | 56% | 0.56 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.1 | -41 | 177.5 | -170.3 | 70.5 | 0 | 0 | 0 | 112 | A413 K419 S420 I421 | A413-L417 WeakPolarHBondContact O-CB 3.46Å; A413-L417 PolarHBondContact O-N 3.22Å; L417-K419 VanDerWaalsContact C-N 3.34Å; L417-S420 WeakPolarHBondContact CA-OG 3.45Å; L417-S420 PolarHBondContact O-N 3.5Å; L417-S420 PolarHBondContact O-OG 3.28Å; L417-I421 HydrophobicContact CG-CD1 4.18Å; L417-I421 WeakPolarHBondContact O-CB 3.24Å; L417-I421 VanDerWaalsContact O-CG1 3.24Å; L417-I421 WeakPolarHBondContact O-CG1 3.43Å; L417-I421 PolarHBondContact O-N 2.9Å |
| 418 | G | 74.1 | Confident | 72.9 | Confident | 42 Ų | 42 | 95.6 Ų | 95.6 | 43% | 0.433 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R414 V415 N422 | R414-G418 PolarHBondContact O-N 3.29Å; R414-G418 VanDerWaalsContact O-N 3.1Å; V415-G418 PolarHBondContact O-N 3Å; G418-N422 PolarHBondContact O-N 3.43Å; G418-N422 VanDerWaalsContact O-N 3.1Å |
| 419 | K | 78.7 | Confident | 74.6 | Confident | 128 Ų | 128 | 91.5 Ų | 91.5 | 56% | 0.557 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.8 | -40.8 | 174.4 | -72.9 | 170.7 | 179.9 | 172.3 | 0 | 111.8 | V415 L416 L417 N422 I423 | V415-K419 HydrophobicContact CG1-CD 4.08Å; V415-K419 WeakPolarHBondContact O-CB 3.38Å; V415-K419 VanDerWaalsContact O-CG 3.28Å; V415-K419 WeakPolarHBondContact O-CG 3.34Å; V415-K419 PolarHBondContact O-N 3.43Å; L416-K419 PolarHBondContact O-N 3.37Å; L417-K419 VanDerWaalsContact C-N 3.34Å; K419-N422 PolarHBondContact O-N 3.33Å; K419-I423 WeakPolarHBondContact O-CD1 3.32Å; K419-I423 WeakPolarHBondContact O-CG1 3.41Å; K419-I423 PolarHBondContact O-N 2.88Å |
| 420 | S | 78.1 | Confident | 76.4 | Confident | 49 Ų | 49 | 88.5 Ų | 88.5 | 34% | 0.343 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.8 | -35.5 | 179.3 | 68.2 | 0 | 0 | 0 | 0 | 112.6 | L416 L417 N422 I423 M424 | L416-S420 WeakPolarHBondContact O-CB 3.24Å; L416-S420 PolarHBondContact O-N 2.86Å; L416-S420 PolarHBondContact O-OG 3.06Å; L417-S420 WeakPolarHBondContact CA-OG 3.45Å; L417-S420 PolarHBondContact O-N 3.5Å; L417-S420 PolarHBondContact O-OG 3.28Å; S420-N422 VanDerWaalsContact C-N 3.34Å; S420-I423 PolarHBondContact O-N 2.95Å; S420-M424 WeakPolarHBondContact O-CB 3.32Å; S420-M424 VanDerWaalsContact O-CG 3.31Å; S420-M424 WeakPolarHBondContact O-CG 3.44Å; S420-M424 PolarHBondContact O-N 3.31Å |
| 421 | I | 84.3 | Confident | 77.7 | Confident | 90 Ų | 90 | 90.4 Ų | 90.4 | 46% | 0.462 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 171.9 | -70.4 | 165.2 | 0 | 0 | 0 | 109.7 | L417 I423 M424 L425 | L417-I421 HydrophobicContact CG-CD1 4.18Å; L417-I421 WeakPolarHBondContact O-CB 3.24Å; L417-I421 VanDerWaalsContact O-CG1 3.24Å; L417-I421 WeakPolarHBondContact O-CG1 3.43Å; L417-I421 PolarHBondContact O-N 2.9Å; I421-I423 VanDerWaalsContact C-N 3.34Å; I421-I423 PolarHBondContact O-N 2.89Å; I421-M424 PolarHBondContact O-N 3.43Å; I421-L425 HydrophobicContact CG2-CD1 3.87Å; I421-L425 HydrophobicContact CG2-CG 4.29Å; I421-L425 WeakPolarHBondContact O-CB 3.42Å; I421-L425 VanDerWaalsContact O-CG 3.3Å; I421-L425 WeakPolarHBondContact O-CG 3.44Å; I421-L425 PolarHBondContact O-N 3.23Å |
| 422 | N | 83.6 | Confident | 78.9 | Confident | 115 Ų | 115 | 90.3 Ų | 90.3 | 62% | 0.615 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.1 | -40.1 | 178.5 | -163.1 | 28 | 0 | 0 | 0 | 112 | G418 K419 S420 L425 A426 | G418-N422 PolarHBondContact O-N 3.43Å; G418-N422 VanDerWaalsContact O-N 3.1Å; K419-N422 PolarHBondContact O-N 3.33Å; S420-N422 VanDerWaalsContact C-N 3.34Å; N422-L425 PolarHBondContact O-N 3.44Å; N422-A426 WeakPolarHBondContact O-CB 3.25Å; N422-A426 PolarHBondContact O-N 2.82Å |
| 423 | I | 86.9 | Confident | 80.2 | Confident | 104 Ų | 104 | 88.6 Ų | 88.6 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 173.7 | -68.6 | 161.8 | 0 | 0 | 0 | 110.8 | K419 S420 I421 A426 I427 | K419-I423 WeakPolarHBondContact O-CD1 3.32Å; K419-I423 WeakPolarHBondContact O-CG1 3.41Å; K419-I423 PolarHBondContact O-N 2.88Å; S420-I423 PolarHBondContact O-N 2.95Å; I421-I423 VanDerWaalsContact C-N 3.34Å; I421-I423 PolarHBondContact O-N 2.89Å; I423-A426 WeakPolarHBondContact O-CB 3.43Å; I423-A426 PolarHBondContact O-N 3.36Å; I423-I427 HydrophobicContact CG2-CD1 3.84Å; I423-I427 HydrophobicContact CG2-CG1 4.48Å; I423-I427 VanDerWaalsContact O-CG1 3.27Å; I423-I427 WeakPolarHBondContact O-CG1 3.38Å; I423-I427 PolarHBondContact O-N 2.85Å |
| 424 | M | 84.2 | Confident | 81.2 | Confident | 107 Ų | 107 | 89.7 Ų | 89.7 | 53% | 0.527 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 177.5 | -78.3 | -63 | -66.4 | 0 | 0 | 112.3 | S420 I421 A426 I427 I428 | S420-M424 WeakPolarHBondContact O-CB 3.32Å; S420-M424 VanDerWaalsContact O-CG 3.31Å; S420-M424 WeakPolarHBondContact O-CG 3.44Å; S420-M424 PolarHBondContact O-N 3.31Å; I421-M424 PolarHBondContact O-N 3.43Å; M424-A426 VanDerWaalsContact C-N 3.34Å; M424-I427 PolarHBondContact O-N 3.31Å; M424-I427 HydrophobicContact SD-CD1 4.38Å; M424-I428 WeakPolarHBondContact O-CB 3.37Å; M424-I428 VanDerWaalsContact O-CG1 3.27Å; M424-I428 WeakPolarHBondContact O-CG1 3.33Å; M424-I428 PolarHBondContact O-N 2.82Å |
| 425 | L | 86.1 | Confident | 82 | Confident | 92 Ų | 92 | 89 Ų | 89 | 48% | 0.482 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 173.8 | -73 | 173.6 | 0 | 0 | 0 | 111.2 | I421 N422 I428 T429 | I421-L425 HydrophobicContact CG2-CD1 3.87Å; I421-L425 HydrophobicContact CG2-CG 4.29Å; I421-L425 WeakPolarHBondContact O-CB 3.42Å; I421-L425 VanDerWaalsContact O-CG 3.3Å; I421-L425 WeakPolarHBondContact O-CG 3.44Å; I421-L425 PolarHBondContact O-N 3.23Å; N422-L425 PolarHBondContact O-N 3.44Å; L425-I428 PolarHBondContact O-N 3.25Å; L425-T429 VanDerWaalsContact O-CB 3.27Å; L425-T429 WeakPolarHBondContact O-CB 3.35Å; L425-T429 PolarHBondContact O-N 2.66Å; L425-T429 PolarHBondContact O-OG1 2.81Å |
| 426 | A | 86.6 | Confident | 82.6 | Confident | 51 Ų | 51 | 88.7 Ų | 88.7 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N422 I423 M424 T429 V430 | N422-A426 WeakPolarHBondContact O-CB 3.25Å; N422-A426 PolarHBondContact O-N 2.82Å; I423-A426 WeakPolarHBondContact O-CB 3.43Å; I423-A426 PolarHBondContact O-N 3.36Å; M424-A426 VanDerWaalsContact C-N 3.34Å; A426-T429 PolarHBondContact O-N 3.47Å; A426-V430 VanDerWaalsContact O-CG2 3.31Å; A426-V430 WeakPolarHBondContact O-CG2 3.15Å; A426-V430 PolarHBondContact O-N 3.48Å |
| 427 | I | 87.9 | Confident | 83 | Confident | 81 Ų | 81 | 85.8 Ų | 85.8 | 42% | 0.415 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -48.3 | 176.7 | -67.7 | 164.7 | 0 | 0 | 0 | 111 | I423 M424 T429 V430 I431 | I423-I427 HydrophobicContact CG2-CD1 3.84Å; I423-I427 HydrophobicContact CG2-CG1 4.48Å; I423-I427 VanDerWaalsContact O-CG1 3.27Å; I423-I427 WeakPolarHBondContact O-CG1 3.38Å; I423-I427 PolarHBondContact O-N 2.85Å; M424-I427 PolarHBondContact O-N 3.31Å; M424-I427 HydrophobicContact SD-CD1 4.38Å; I427-T429 VanDerWaalsContact C-N 3.26Å; I427-T429 PolarHBondContact O-N 2.83Å; I427-V430 PolarHBondContact O-N 2.84Å; I427-I431 HydrophobicContact CG2-CD1 3.84Å; I427-I431 HydrophobicContact CG2-CG1 4.45Å; I427-I431 WeakPolarHBondContact O-CG1 3.34Å; I427-I431 PolarHBondContact O-N 3.42Å |
| 428 | I | 88.3 | Confident | 82.9 | Confident | 82 Ų | 82 | 83.6 Ų | 83.6 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 177.4 | -70 | 166 | 0 | 0 | 0 | 110.4 | M424 L425 I431 L432 | M424-I428 WeakPolarHBondContact O-CB 3.37Å; M424-I428 VanDerWaalsContact O-CG1 3.27Å; M424-I428 WeakPolarHBondContact O-CG1 3.33Å; M424-I428 PolarHBondContact O-N 2.82Å; L425-I428 PolarHBondContact O-N 3.25Å; I428-I431 PolarHBondContact O-N 2.98Å; I428-L432 HydrophobicContact CG2-CD1 3.87Å; I428-L432 HydrophobicContact CG2-CG 4.4Å; I428-L432 WeakPolarHBondContact O-CB 3.44Å; I428-L432 WeakPolarHBondContact O-CG 3.39Å; I428-L432 PolarHBondContact O-N 3.39Å |
| 429 | T | 86.6 | Confident | 82.7 | Confident | 79 Ų | 79 | 84.2 Ų | 84.2 | 49% | 0.485 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 177.6 | -56 | 0 | 0 | 0 | 0 | 111.2 | L425 A426 I427 L432 V433 | L425-T429 VanDerWaalsContact O-CB 3.27Å; L425-T429 WeakPolarHBondContact O-CB 3.35Å; L425-T429 PolarHBondContact O-N 2.66Å; L425-T429 PolarHBondContact O-OG1 2.81Å; A426-T429 PolarHBondContact O-N 3.47Å; I427-T429 VanDerWaalsContact C-N 3.26Å; I427-T429 PolarHBondContact O-N 2.83Å; T429-L432 PolarHBondContact O-N 3.21Å; T429-V433 WeakPolarHBondContact O-CB 3.43Å; T429-V433 VanDerWaalsContact O-CG2 3.27Å; T429-V433 WeakPolarHBondContact O-CG2 3.46Å; T429-V433 PolarHBondContact O-N 3.47Å |
| 430 | V | 89.4 | Confident | 82.4 | Confident | 91 Ų | 91 | 85.8 Ų | 85.8 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.4 | -45.2 | 174.9 | 170.7 | 0 | 0 | 0 | 0 | 111 | A426 I427 L432 V433 C434 | A426-V430 VanDerWaalsContact O-CG2 3.31Å; A426-V430 WeakPolarHBondContact O-CG2 3.15Å; A426-V430 PolarHBondContact O-N 3.48Å; I427-V430 PolarHBondContact O-N 2.84Å; V430-L432 VanDerWaalsContact C-N 3.33Å; V430-L432 PolarHBondContact O-N 2.93Å; V430-V433 PolarHBondContact O-N 2.92Å; V430-C434 WeakPolarHBondContact O-CB 3.27Å; V430-C434 PolarHBondContact O-N 3.48Å; V430-C434 PolarHBondContact O-SG 3.21Å |
| 431 | I | 85.9 | Confident | 81.7 | Confident | 96 Ų | 96 | 90.2 Ų | 90.2 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 176 | -68.1 | 168.6 | 0 | 0 | 0 | 110.2 | I427 I428 V433 C434 V435 | I427-I431 HydrophobicContact CG2-CD1 3.84Å; I427-I431 HydrophobicContact CG2-CG1 4.45Å; I427-I431 WeakPolarHBondContact O-CG1 3.34Å; I427-I431 PolarHBondContact O-N 3.42Å; I428-I431 PolarHBondContact O-N 2.98Å; I431-V433 PolarHBondContact O-N 2.8Å; I431-C434 PolarHBondContact O-N 2.93Å; I431-V435 HydrophobicContact CG2-CG2 4.29Å; I431-V435 WeakPolarHBondContact O-CB 3.47Å; I431-V435 VanDerWaalsContact O-CG2 3.26Å; I431-V435 WeakPolarHBondContact O-CG2 3.27Å; I431-V435 PolarHBondContact O-N 2.88Å |
| 432 | L | 85.1 | Confident | 80.6 | Confident | 109 Ų | 109 | 88 Ų | 88 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.4 | -38.7 | 177.8 | -77.1 | 170.8 | 0 | 0 | 0 | 112.3 | I428 T429 V430 V435 S436 | I428-L432 HydrophobicContact CG2-CD1 3.87Å; I428-L432 HydrophobicContact CG2-CG 4.4Å; I428-L432 WeakPolarHBondContact O-CB 3.44Å; I428-L432 WeakPolarHBondContact O-CG 3.39Å; I428-L432 PolarHBondContact O-N 3.39Å; T429-L432 PolarHBondContact O-N 3.21Å; V430-L432 VanDerWaalsContact C-N 3.33Å; V430-L432 PolarHBondContact O-N 2.93Å; L432-V435 PolarHBondContact O-N 3.46Å; L432-S436 WeakPolarHBondContact O-CB 3.4Å; L432-S436 PolarHBondContact O-N 2.88Å |
| 433 | V | 88.2 | Confident | 79.4 | Confident | 84 Ų | 84 | 85.8 Ų | 85.8 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 173.9 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | T429 V430 I431 S436 T437 | T429-V433 WeakPolarHBondContact O-CB 3.43Å; T429-V433 VanDerWaalsContact O-CG2 3.27Å; T429-V433 WeakPolarHBondContact O-CG2 3.46Å; T429-V433 PolarHBondContact O-N 3.47Å; V430-V433 PolarHBondContact O-N 2.92Å; I431-V433 PolarHBondContact O-N 2.8Å; V433-S436 PolarHBondContact O-N 2.81Å; V433-T437 VanDerWaalsContact O-CB 3.25Å; V433-T437 WeakPolarHBondContact O-CB 3.38Å; V433-T437 PolarHBondContact O-N 3.14Å; V433-T437 PolarHBondContact O-OG1 2.86Å |
| 434 | C | 78.6 | Confident | 77.8 | Confident | 76 Ų | 76 | 85.2 Ų | 85.2 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 175 | -72.7 | 0 | 0 | 0 | 0 | 111.7 | V430 I431 T437 A438 | V430-C434 WeakPolarHBondContact O-CB 3.27Å; V430-C434 PolarHBondContact O-N 3.48Å; V430-C434 PolarHBondContact O-SG 3.21Å; I431-C434 PolarHBondContact O-N 2.93Å; C434-T437 PolarHBondContact O-N 2.87Å; C434-A438 WeakPolarHBondContact O-CB 3.47Å; C434-A438 PolarHBondContact O-N 3.31Å |
| 435 | V | 81.3 | Confident | 76.4 | Confident | 88 Ų | 88 | 84 Ų | 84 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 177.7 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | I431 L432 A438 A439 | I431-V435 HydrophobicContact CG2-CG2 4.29Å; I431-V435 WeakPolarHBondContact O-CB 3.47Å; I431-V435 VanDerWaalsContact O-CG2 3.26Å; I431-V435 WeakPolarHBondContact O-CG2 3.27Å; I431-V435 PolarHBondContact O-N 2.88Å; L432-V435 PolarHBondContact O-N 3.46Å; V435-A438 PolarHBondContact O-N 3.37Å; V435-A439 VanDerWaalsContact O-CB 3.24Å; V435-A439 WeakPolarHBondContact O-CB 3.31Å; V435-A439 PolarHBondContact O-N 3.3Å |
| 436 | S | 79.3 | Confident | 74.9 | Confident | 64 Ų | 64 | 87.7 Ų | 87.7 | 45% | 0.448 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.4 | -38.1 | 175.9 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | L432 V433 A439 K440 | L432-S436 WeakPolarHBondContact O-CB 3.4Å; L432-S436 PolarHBondContact O-N 2.88Å; V433-S436 PolarHBondContact O-N 2.81Å; S436-A439 PolarHBondContact O-N 3.34Å; S436-K440 WeakPolarHBondContact O-CB 3.37Å; S436-K440 WeakPolarHBondContact O-CG 3.49Å; S436-K440 PolarHBondContact O-N 3.1Å |
| 437 | T | 78.4 | Confident | 73.7 | Confident | 67 Ų | 67 | 94.8 Ų | 94.8 | 41% | 0.411 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -47.3 | 173.4 | -55.3 | 0 | 0 | 0 | 0 | 110.3 | V433 C434 A439 K440 F441 | V433-T437 VanDerWaalsContact O-CB 3.25Å; V433-T437 WeakPolarHBondContact O-CB 3.38Å; V433-T437 PolarHBondContact O-N 3.14Å; V433-T437 PolarHBondContact O-OG1 2.86Å; C434-T437 PolarHBondContact O-N 2.87Å; T437-A439 VanDerWaalsContact C-N 3.34Å; T437-A439 PolarHBondContact O-N 2.92Å; T437-K440 PolarHBondContact O-N 2.83Å; T437-F441 HydrophobicContact CG2-CD2 3.94Å; T437-F441 HydrophobicContact CG2-CE2 3.81Å; T437-F441 VanDerWaalsContact O-CD2 3.24Å; T437-F441 WeakPolarHBondContact O-CD2 3.27Å; T437-F441 PolarHBondContact O-N 3.36Å |
| 438 | A | 70.4 | Confident | 72.5 | Confident | 61 Ų | 61 | 94.3 Ų | 94.3 | 50% | 0.504 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | C434 V435 F441 A442 | C434-A438 WeakPolarHBondContact O-CB 3.47Å; C434-A438 PolarHBondContact O-N 3.31Å; V435-A438 PolarHBondContact O-N 3.37Å; A438-F441 PolarHBondContact O-N 3.2Å; A438-A442 WeakPolarHBondContact O-CB 3.39Å; A438-A442 PolarHBondContact O-N 2.96Å |
| 439 | A | 69.9 | Low | 71.4 | Confident | 55 Ų | 55 | 101.8 Ų | 101.8 | 46% | 0.455 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.4 | -36.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V435 S436 T437 A442 A443 | V435-A439 VanDerWaalsContact O-CB 3.24Å; V435-A439 WeakPolarHBondContact O-CB 3.31Å; V435-A439 PolarHBondContact O-N 3.3Å; S436-A439 PolarHBondContact O-N 3.34Å; T437-A439 VanDerWaalsContact C-N 3.34Å; T437-A439 PolarHBondContact O-N 2.92Å; A439-A442 PolarHBondContact O-N 3.4Å; A439-A443 PolarHBondContact O-N 2.82Å |
| 440 | K | 70.5 | Confident | 70.3 | Confident | 161 Ų | 161 | 107.5 Ų | 107.5 | 70% | 0.7 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71.7 | -29.8 | 173.6 | -78.5 | -164.6 | 179 | 172.8 | 0 | 113.4 | S436 T437 P444 | S436-K440 WeakPolarHBondContact O-CB 3.37Å; S436-K440 WeakPolarHBondContact O-CG 3.49Å; S436-K440 PolarHBondContact O-N 3.1Å; T437-K440 PolarHBondContact O-N 2.83Å; K440-P444 WeakPolarHBondContact O-CD 3.39Å |
| 441 | F | 63.8 | Low | 69.1 | Low | 141 Ų | 141 | 106 Ų | 106 | 62% | 0.618 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -72.7 | -33.8 | 166.7 | -83.4 | -75.2 | 0 | 0 | 0 | 112 | T437 A438 P444 L445 | T437-F441 HydrophobicContact CG2-CD2 3.94Å; T437-F441 HydrophobicContact CG2-CE2 3.81Å; T437-F441 VanDerWaalsContact O-CD2 3.24Å; T437-F441 WeakPolarHBondContact O-CD2 3.27Å; T437-F441 PolarHBondContact O-N 3.36Å; A438-F441 PolarHBondContact O-N 3.2Å; F441-P444 VanDerWaalsContact O-CD 3.25Å; F441-P444 WeakPolarHBondContact O-CD 3.49Å; F441-P444 WeakPolarHBondContact O-CG 3.44Å; F441-L445 WeakPolarHBondContact O-CD1 3.36Å; F441-L445 WeakPolarHBondContact O-CG 3.31Å |
| 442 | A | 60.8 | Low | 68 | Low | 43 Ų | 43 | 108.6 Ų | 108.6 | 36% | 0.355 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72.3 | -29.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A438 A439 L445 M446 | A438-A442 WeakPolarHBondContact O-CB 3.39Å; A438-A442 PolarHBondContact O-N 2.96Å; A439-A442 PolarHBondContact O-N 3.4Å; A442-L445 PolarHBondContact O-N 2.87Å; A442-M446 PolarHBondContact O-N 3.17Å |
| 443 | A | 58.3 | Low | 67.3 | Low | 70 Ų | 70 | 106.3 Ų | 106.3 | 58% | 0.579 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -57.6 | -43.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A439 | A439-A443 PolarHBondContact O-N 2.82Å |
| 444 | P | 55.1 | Low | 66.6 | Low | 92 Ų | 92 | 105.1 Ų | 105.1 | 60% | 0.597 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -77.6 | -14.3 | 171.6 | 27.5 | -33.3 | 0 | 0 | 0 | 114.4 | K440 F441 | K440-P444 WeakPolarHBondContact O-CD 3.39Å; F441-P444 VanDerWaalsContact O-CD 3.25Å; F441-P444 WeakPolarHBondContact O-CD 3.49Å; F441-P444 WeakPolarHBondContact O-CG 3.44Å |
| 445 | L | 53.2 | Low | 66.3 | Low | 81 Ų | 81 | 106 Ų | 106 | 42% | 0.424 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -90.4 | -2.4 | -175.1 | -62.9 | 171.1 | 0 | 0 | 0 | 114.5 | F441 A442 K447 H451 | F441-L445 WeakPolarHBondContact O-CD1 3.36Å; F441-L445 WeakPolarHBondContact O-CG 3.31Å; A442-L445 PolarHBondContact O-N 2.87Å; L445-K447 VanDerWaalsContact C-N 3.3Å; L445-K447 PolarHBondContact O-N 3.44Å; L445-H451 WeakPolarHBondContact CD2-CE1 3.3Å; L445-H451 PolarHBondContact O-CD2 2.84Å |
| 446 | M | 55.9 | Low | 66 | Low | 169 Ų | 169 | 107.5 Ų | 107.5 | 83% | 0.833 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 13.6 | 179.3 | -72.3 | -154 | -78.8 | 0 | 0 | 115 | A442 | A442-M446 PolarHBondContact O-N 3.17Š|
| 447 | K | 61.1 | Low | 66 | Low | 200 Ų | 200 | 109.6 Ų | 109.6 | 87% | 0.87 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | -6.2 | -171.9 | -124.3 | -175.3 | 173.3 | 94.1 | 0 | 117 | L445 | L445-K447 VanDerWaalsContact C-N 3.3Å; L445-K447 PolarHBondContact O-N 3.44Å |
| 448 | S | 62.4 | Low | 66 | Low | 72 Ų | 72 | 108.3 Ų | 108.3 | 50% | 0.503 | 59% | 0.586 | S | S | . | * | trans | -149.8 | 148.7 | -177.4 | -170.5 | 0 | 0 | 0 | 0 | 115.9 | Y450 H451 | S448-Y450 VanDerWaalsContact C-N 3.28Å; S448-Y450 PolarHBondContact O-N 3.44Å; S448-H451 WeakPolarHBondContact O-CB 3.45Å; S448-H451 PolarHBondContact O-CD2 3.23Å; S448-H451 PolarHBondContact O-N 3.25Å | ||
| 449 | R | 64.7 | Low | 66.5 | Low | 238 Ų | 238 | 109.8 Ų | 109.8 | 90% | 0.898 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -14.3 | -170.9 | -63.8 | -167 | -179.2 | -177.3 | 1.5 | 115.6 | H451 | R449-H451 PolarHBondContact O-N 2.82Š|
| 450 | Y | 64.3 | Low | 67 | Low | 200 Ų | 200 | 110.4 Ų | 110.4 | 78% | 0.784 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.4 | -14 | 170.8 | -85.5 | -92.3 | 0 | 0 | 0 | 112.9 | S448 A454 | S448-Y450 VanDerWaalsContact C-N 3.28Å; S448-Y450 PolarHBondContact O-N 3.44Å; Y450-A454 PolarHBondContact O-N 2.88Å |
| 451 | H | 62.9 | Low | 67.5 | Low | 58 Ų | 58 | 109.2 Ų | 109.2 | 27% | 0.269 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -83.7 | -25.7 | -176.6 | -65 | -46.7 | 0 | 0 | 0 | 115.6 | L445 S448 R449 A453 A454 T455 | L445-H451 WeakPolarHBondContact CD2-CE1 3.3Å; L445-H451 PolarHBondContact O-CD2 2.84Å; S448-H451 WeakPolarHBondContact O-CB 3.45Å; S448-H451 PolarHBondContact O-CD2 3.23Å; S448-H451 PolarHBondContact O-N 3.25Å; R449-H451 PolarHBondContact O-N 2.82Å; H451-A453 VanDerWaalsContact C-N 3.28Å; H451-A454 PolarHBondContact O-N 3.46Å; H451-T455 WeakPolarHBondContact O-CG2 3.27Å; H451-T455 PolarHBondContact O-N 3.41Å; H451-T455 PolarHBondContact O-OG1 2.87Å; H451-T455 VanDerWaalsContact O-OG1 3.11Å |
| 452 | M | 62.9 | Low | 68.3 | Low | 151 Ų | 151 | 107.4 Ų | 107.4 | 74% | 0.744 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.6 | -37.6 | 170.4 | -167 | -157.1 | -60.5 | 0 | 0 | 110.5 | T455 L456 | M452-T455 PolarHBondContact O-OG1 3.41Å; M452-T455 VanDerWaalsContact O-OG1 3.1Å; M452-L456 VanDerWaalsContact O-CB 3.3Å; M452-L456 WeakPolarHBondContact O-CB 3.37Å; M452-L456 PolarHBondContact O-N 3.05Å |
| 453 | A | 71.9 | Confident | 69.1 | Low | 62 Ų | 62 | 109.2 Ų | 109.2 | 51% | 0.512 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.7 | -41.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | H451 L457 | H451-A453 VanDerWaalsContact C-N 3.28Å; A453-L457 VanDerWaalsContact O-CB 3.3Å; A453-L457 WeakPolarHBondContact O-CB 3.37Å; A453-L457 PolarHBondContact O-N 2.91Å |
| 454 | A | 73.6 | Confident | 70.1 | Confident | 58 Ų | 58 | 110 Ų | 110 | 48% | 0.479 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.5 | -39.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y450 H451 L457 G458 | Y450-A454 PolarHBondContact O-N 2.88Å; H451-A454 PolarHBondContact O-N 3.46Å; A454-L457 PolarHBondContact O-N 3.49Å; A454-G458 PolarHBondContact O-N 3.3Å |
| 455 | T | 72.1 | Confident | 71.2 | Confident | 94 Ų | 94 | 110.9 Ų | 110.9 | 58% | 0.577 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.8 | -39.3 | 175.3 | 53 | 0 | 0 | 0 | 0 | 111.6 | H451 M452 G458 V459 | H451-T455 WeakPolarHBondContact O-CG2 3.27Å; H451-T455 PolarHBondContact O-N 3.41Å; H451-T455 PolarHBondContact O-OG1 2.87Å; H451-T455 VanDerWaalsContact O-OG1 3.11Å; M452-T455 PolarHBondContact O-OG1 3.41Å; M452-T455 VanDerWaalsContact O-OG1 3.1Å; T455-G458 PolarHBondContact O-N 2.88Å; T455-V459 VanDerWaalsContact O-CG2 3.31Å; T455-V459 WeakPolarHBondContact O-CG2 3.4Å; T455-V459 PolarHBondContact O-N 2.66Å |
| 456 | L | 74.6 | Confident | 72.4 | Confident | 120 Ų | 120 | 116.1 Ų | 116.1 | 63% | 0.628 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.7 | -45.2 | 172.7 | -162.4 | 86.1 | 0 | 0 | 0 | 110.9 | M452 G458 V459 C460 | M452-L456 VanDerWaalsContact O-CB 3.3Å; M452-L456 WeakPolarHBondContact O-CB 3.37Å; M452-L456 PolarHBondContact O-N 3.05Å; L456-G458 VanDerWaalsContact C-N 3.34Å; L456-G458 PolarHBondContact O-N 3.45Å; L456-V459 PolarHBondContact O-N 3.3Å; L456-C460 WeakPolarHBondContact O-CB 3.5Å; L456-C460 PolarHBondContact O-N 2.77Å; L456-C460 PolarHBondContact O-SG 3.4Å |
| 457 | L | 79.8 | Confident | 73.4 | Confident | 108 Ų | 108 | 115.6 Ų | 115.6 | 57% | 0.565 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.7 | -40.8 | 177 | -155.3 | 101.9 | 0 | 0 | 0 | 111.4 | A453 A454 C460 F461 | A453-L457 VanDerWaalsContact O-CB 3.3Å; A453-L457 WeakPolarHBondContact O-CB 3.37Å; A453-L457 PolarHBondContact O-N 2.91Å; A454-L457 PolarHBondContact O-N 3.49Å; L457-C460 PolarHBondContact O-N 3.26Å; L457-F461 HydrophobicContact CD2-CD2 3.97Å; L457-F461 HydrophobicContact CD2-CE2 3.83Å; L457-F461 HydrophobicContact CG-CD2 4.1Å; L457-F461 HydrophobicContact CG-CE2 4.23Å; L457-F461 WeakPolarHBondContact O-CB 3.33Å; L457-F461 WeakPolarHBondContact O-CD2 3.35Å; L457-F461 PolarHBondContact O-N 2.8Å |
| 458 | G | 78.9 | Confident | 74 | Confident | 40 Ų | 40 | 107.9 Ų | 107.9 | 41% | 0.412 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.5 | -42.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | A454 T455 L456 F461 L462 | A454-G458 PolarHBondContact O-N 3.3Å; T455-G458 PolarHBondContact O-N 2.88Å; L456-G458 VanDerWaalsContact C-N 3.34Å; L456-G458 PolarHBondContact O-N 3.45Å; G458-F461 PolarHBondContact O-N 2.9Å; G458-L462 WeakPolarHBondContact O-CB 3.48Å; G458-L462 PolarHBondContact O-N 2.95Å |
| 459 | V | 80.8 | Confident | 74.7 | Confident | 93 Ų | 93 | 110 Ų | 110 | 56% | 0.564 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66 | -40.2 | 173.8 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | T455 L456 L462 T463 | T455-V459 VanDerWaalsContact O-CG2 3.31Å; T455-V459 WeakPolarHBondContact O-CG2 3.4Å; T455-V459 PolarHBondContact O-N 2.66Å; L456-V459 PolarHBondContact O-N 3.3Å; V459-L462 PolarHBondContact O-N 2.76Å; V459-T463 WeakPolarHBondContact O-CB 3.22Å; V459-T463 VanDerWaalsContact O-CG2 3.31Å; V459-T463 WeakPolarHBondContact O-CG2 3.38Å; V459-T463 PolarHBondContact O-N 2.92Å; V459-T463 PolarHBondContact O-OG1 2.85Å |
| 460 | C | 79.4 | Confident | 75.2 | Confident | 67 Ų | 67 | 104.6 Ų | 104.6 | 45% | 0.453 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 172.4 | -73 | 0 | 0 | 0 | 0 | 112 | L456 L457 T463 V464 | L456-C460 WeakPolarHBondContact O-CB 3.5Å; L456-C460 PolarHBondContact O-N 2.77Å; L456-C460 PolarHBondContact O-SG 3.4Å; L457-C460 PolarHBondContact O-N 3.26Å; C460-T463 WeakPolarHBondContact CA-OG1 3.5Å; C460-T463 PolarHBondContact O-N 3.33Å; C460-T463 PolarHBondContact O-OG1 3.4Å; C460-V464 WeakPolarHBondContact O-CB 3.48Å; C460-V464 VanDerWaalsContact O-CG2 3.26Å; C460-V464 WeakPolarHBondContact O-CG2 3.39Å; C460-V464 PolarHBondContact O-N 3.27Å |
| 461 | F | 81.8 | Confident | 75.5 | Confident | 137 Ų | 137 | 102.9 Ų | 102.9 | 60% | 0.601 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.8 | -45.2 | 175.3 | -100.8 | -81.4 | 0 | 0 | 0 | 111.4 | L457 G458 T463 V464 F465 | L457-F461 HydrophobicContact CD2-CD2 3.97Å; L457-F461 HydrophobicContact CD2-CE2 3.83Å; L457-F461 HydrophobicContact CG-CD2 4.1Å; L457-F461 HydrophobicContact CG-CE2 4.23Å; L457-F461 WeakPolarHBondContact O-CB 3.33Å; L457-F461 WeakPolarHBondContact O-CD2 3.35Å; L457-F461 PolarHBondContact O-N 2.8Å; G458-F461 PolarHBondContact O-N 2.9Å; F461-T463 PolarHBondContact O-N 3.1Å; F461-V464 PolarHBondContact O-N 2.89Å; F461-F465 VanDerWaalsContact O-CB 3.29Å; F461-F465 WeakPolarHBondContact O-CB 3.24Å; F461-F465 PolarHBondContact O-N 3.34Å |
| 462 | L | 79.4 | Confident | 75.9 | Confident | 103 Ų | 103 | 103.5 Ų | 103.5 | 54% | 0.539 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | -179.6 | -167.7 | 68.5 | 0 | 0 | 0 | 112 | G458 V459 F465 W466 | G458-L462 WeakPolarHBondContact O-CB 3.48Å; G458-L462 PolarHBondContact O-N 2.95Å; V459-L462 PolarHBondContact O-N 2.76Å; L462-F465 PolarHBondContact O-N 3.32Å; L462-W466 WeakPolarHBondContact O-CB 3.21Å; L462-W466 PolarHBondContact O-N 3.48Å |
| 463 | T | 77.8 | Confident | 76.3 | Confident | 80 Ų | 80 | 100.6 Ų | 100.6 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 175.1 | 50.1 | 0 | 0 | 0 | 0 | 112.1 | V459 C460 F461 F465 K467 | V459-T463 WeakPolarHBondContact O-CB 3.22Å; V459-T463 VanDerWaalsContact O-CG2 3.31Å; V459-T463 WeakPolarHBondContact O-CG2 3.38Å; V459-T463 PolarHBondContact O-N 2.92Å; V459-T463 PolarHBondContact O-OG1 2.85Å; C460-T463 WeakPolarHBondContact CA-OG1 3.5Å; C460-T463 PolarHBondContact O-N 3.33Å; C460-T463 PolarHBondContact O-OG1 3.4Å; F461-T463 PolarHBondContact O-N 3.1Å; T463-F465 VanDerWaalsContact C-N 3.35Å; T463-K467 WeakPolarHBondContact O-CB 3.12Å; T463-K467 PolarHBondContact O-N 2.73Å |
| 464 | V | 79.4 | Confident | 76.2 | Confident | 87 Ų | 87 | 105.4 Ų | 105.4 | 53% | 0.527 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 171.7 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | C460 F461 K467 S468 | C460-V464 WeakPolarHBondContact O-CB 3.48Å; C460-V464 VanDerWaalsContact O-CG2 3.26Å; C460-V464 WeakPolarHBondContact O-CG2 3.39Å; C460-V464 PolarHBondContact O-N 3.27Å; F461-V464 PolarHBondContact O-N 2.89Å; V464-K467 CarbonylContact O-C 3.59Å; V464-K467 PolarHBondContact O-N 3.45Å; V464-S468 WeakPolarHBondContact O-CB 3.49Å; V464-S468 PolarHBondContact O-N 3.5Å; V464-S468 PolarHBondContact O-OG 2.88Å |
| 465 | F | 78.6 | Confident | 76.2 | Confident | 110 Ų | 110 | 105.1 Ų | 105.1 | 48% | 0.482 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 179.5 | -142.5 | -93.2 | 0 | 0 | 0 | 111.1 | F461 L462 T463 S468 W469 L472 | F461-F465 VanDerWaalsContact O-CB 3.29Å; F461-F465 WeakPolarHBondContact O-CB 3.24Å; F461-F465 PolarHBondContact O-N 3.34Å; L462-F465 PolarHBondContact O-N 3.32Å; T463-F465 VanDerWaalsContact C-N 3.35Å; F465-S468 CarbonylContact O-C 3.6Å; F465-S468 PolarHBondContact O-N 3.33Å; F465-W469 HydrophobicContact CD1-CE3 4.05Å; F465-W469 HydrophobicContact CD1-CZ3 4.44Å; F465-W469 AromaticContact CE1-CE3 3.91Å; F465-W469 HydrophobicContact CE1-CE3 3.91Å; F465-W469 AromaticContact CE1-CZ3 3.94Å; F465-W469 HydrophobicContact CE1-CZ3 3.94Å; F465-W469 WeakPolarHBondContact O-CA 3.48Å; F465-W469 WeakPolarHBondContact O-CB 3.42Å; F465-W469 PolarHBondContact O-N 2.83Å; F465-L472 HydrophobicContact CE1-CD2 4.12Å; F465-L472 HydrophobicContact CZ-CD2 4.16Å |
| 466 | W | 78.9 | Confident | 76.2 | Confident | 192 Ų | 192 | 104.3 Ų | 104.3 | 73% | 0.727 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.4 | -43.6 | 172.7 | -86.3 | 17.3 | 0 | 0 | 0 | 112.3 | L462 S468 W469 | L462-W466 WeakPolarHBondContact O-CB 3.21Å; L462-W466 PolarHBondContact O-N 3.48Å; W466-S468 PolarHBondContact O-N 2.86Å; W466-W469 VanDerWaalsContact O-CB 3.25Å; W466-W469 WeakPolarHBondContact O-CB 3.28Å; W466-W469 PolarHBondContact O-N 3.25Å |
| 467 | K | 77.3 | Confident | 76.1 | Confident | 157 Ų | 157 | 103.4 Ų | 103.4 | 68% | 0.683 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.4 | -22.7 | 176.8 | -166.6 | 176.6 | 176.9 | 77.7 | 0 | 112.9 | T463 V464 | T463-K467 WeakPolarHBondContact O-CB 3.12Å; T463-K467 PolarHBondContact O-N 2.73Å; V464-K467 CarbonylContact O-C 3.59Å; V464-K467 PolarHBondContact O-N 3.45Å |
| 468 | S | 73.8 | Confident | 75.6 | Confident | 39 Ų | 39 | 107.5 Ų | 107.5 | 27% | 0.273 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -96.9 | -7.6 | 177.7 | -49.8 | 0 | 0 | 0 | 0 | 112.2 | V464 F465 W466 D470 R471 L472 | V464-S468 WeakPolarHBondContact O-CB 3.49Å; V464-S468 PolarHBondContact O-N 3.5Å; V464-S468 PolarHBondContact O-OG 2.88Å; F465-S468 CarbonylContact O-C 3.6Å; F465-S468 PolarHBondContact O-N 3.33Å; W466-S468 PolarHBondContact O-N 2.86Å; S468-D470 VanDerWaalsContact C-N 3.31Å; S468-D470 PolarHBondContact O-N 2.8Å; S468-R471 CarbonylContact O-C 3.58Å; S468-R471 WeakPolarHBondContact O-CB 3.26Å; S468-R471 PolarHBondContact O-N 3.46Å; S468-L472 PolarHBondContact O-N 3.47Å |
| 469 | W | 77.2 | Confident | 75.1 | Confident | 117 Ų | 117 | 112.6 Ų | 112.6 | 44% | 0.443 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | -177.9 | -172.1 | -103.1 | 0 | 0 | 0 | 110 | F465 W466 R471 L472 Q473 | F465-W469 HydrophobicContact CD1-CE3 4.05Å; F465-W469 HydrophobicContact CD1-CZ3 4.44Å; F465-W469 AromaticContact CE1-CE3 3.91Å; F465-W469 HydrophobicContact CE1-CE3 3.91Å; F465-W469 AromaticContact CE1-CZ3 3.94Å; F465-W469 HydrophobicContact CE1-CZ3 3.94Å; F465-W469 WeakPolarHBondContact O-CA 3.48Å; F465-W469 WeakPolarHBondContact O-CB 3.42Å; F465-W469 PolarHBondContact O-N 2.83Å; W466-W469 VanDerWaalsContact O-CB 3.25Å; W466-W469 WeakPolarHBondContact O-CB 3.28Å; W466-W469 PolarHBondContact O-N 3.25Å; W469-R471 PolarHBondContact O-N 3.01Å; W469-L472 HydrophobicContact CE3-CD2 4.14Å; W469-L472 HydrophobicContact CZ3-CD2 4.07Å; W469-L472 PolarHBondContact O-N 3.01Å; W469-L472 VanDerWaalsContact O-N 3.15Å; W469-Q473 VanDerWaalsContact O-CB 3.28Å; W469-Q473 WeakPolarHBondContact O-CB 3.29Å; W469-Q473 PolarHBondContact O-N 3.35Å |
| 470 | D | 74.4 | Confident | 74.4 | Confident | 123 Ų | 123 | 114.8 Ų | 114.8 | 66% | 0.658 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.3 | -35.3 | 174.8 | -59.1 | -34.7 | 0 | 0 | 0 | 112.7 | S468 Y474 | S468-D470 VanDerWaalsContact C-N 3.31Å; S468-D470 PolarHBondContact O-N 2.8Å; D470-Y474 WeakPolarHBondContact O-CB 3.13Å; D470-Y474 PolarHBondContact O-N 3Å |
| 471 | R | 70.8 | Confident | 73.4 | Confident | 165 Ų | 165 | 116.9 Ų | 116.9 | 62% | 0.623 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -78.7 | -34.4 | 177.1 | -75.4 | -175.7 | -80.9 | -138.9 | -1.4 | 112.9 | S468 W469 A475 | S468-R471 CarbonylContact O-C 3.58Å; S468-R471 WeakPolarHBondContact O-CB 3.26Å; S468-R471 PolarHBondContact O-N 3.46Å; W469-R471 PolarHBondContact O-N 3.01Å; R471-A475 WeakPolarHBondContact O-CB 3.45Å; R471-A475 PolarHBondContact O-N 3.48Å |
| 472 | L | 70.5 | Confident | 72.1 | Confident | 71 Ų | 71 | 115.2 Ų | 115.2 | 37% | 0.372 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.7 | -40.4 | 175.7 | -169.8 | 72.3 | 0 | 0 | 0 | 110.5 | F465 S468 W469 Y474 A475 I476 | F465-L472 HydrophobicContact CE1-CD2 4.12Å; F465-L472 HydrophobicContact CZ-CD2 4.16Å; S468-L472 PolarHBondContact O-N 3.47Å; W469-L472 HydrophobicContact CE3-CD2 4.14Å; W469-L472 HydrophobicContact CZ3-CD2 4.07Å; W469-L472 PolarHBondContact O-N 3.01Å; W469-L472 VanDerWaalsContact O-N 3.15Å; L472-Y474 VanDerWaalsContact C-N 3.34Å; L472-A475 PolarHBondContact O-N 3.1Å; L472-I476 HydrophobicContact CD2-CD1 4.34Å; L472-I476 HydrophobicContact CG-CD1 3.91Å; L472-I476 HydrophobicContact CG-CG1 4.47Å; L472-I476 WeakPolarHBondContact O-CB 3.28Å; L472-I476 VanDerWaalsContact O-CG1 3.24Å; L472-I476 WeakPolarHBondContact O-CG1 3.47Å; L472-I476 PolarHBondContact O-N 3.08Å |
| 473 | Q | 72.1 | Confident | 70.8 | Confident | 90 Ų | 90 | 121.8 Ų | 121.8 | 42% | 0.421 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -59.4 | -46.6 | 173.4 | -153.6 | 113.3 | -25.2 | 0 | 0 | 110.1 | W469 A475 I476 D477 | W469-Q473 VanDerWaalsContact O-CB 3.28Å; W469-Q473 WeakPolarHBondContact O-CB 3.29Å; W469-Q473 PolarHBondContact O-N 3.35Å; Q473-A475 PolarHBondContact O-N 3.38Å; Q473-I476 PolarHBondContact O-N 3.44Å; Q473-D477 WeakPolarHBondContact O-CB 3.3Å; Q473-D477 VanDerWaalsContact O-CG 3.31Å; Q473-D477 PolarHBondContact O-N 3.41Å |
| 474 | Y | 69.6 | Low | 70.4 | Confident | 162 Ų | 162 | 123.9 Ų | 123.9 | 64% | 0.635 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.8 | -38.1 | 174.4 | -174.1 | -96.8 | 0 | 0 | 0 | 113.5 | D470 L472 R478 | D470-Y474 WeakPolarHBondContact O-CB 3.13Å; D470-Y474 PolarHBondContact O-N 3Å; L472-Y474 VanDerWaalsContact C-N 3.34Å; Y474-R478 WeakPolarHBondContact O-CB 3.44Å; Y474-R478 PolarHBondContact O-N 3.25Å; Y474-R478 VanDerWaalsContact O-N 3.13Å |
| 475 | A | 73.4 | Confident | 69.9 | Low | 52 Ų | 52 | 125.8 Ų | 125.8 | 43% | 0.43 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -72.8 | -35.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R471 L472 Q473 R478 L479 | R471-A475 WeakPolarHBondContact O-CB 3.45Å; R471-A475 PolarHBondContact O-N 3.48Å; L472-A475 PolarHBondContact O-N 3.1Å; Q473-A475 PolarHBondContact O-N 3.38Å; A475-R478 PolarHBondContact O-N 3.25Å; A475-L479 WeakPolarHBondContact O-CB 3.48Å; A475-L479 PolarHBondContact O-N 2.91Å |
| 476 | I | 72.5 | Confident | 69.5 | Low | 78 Ų | 78 | 126.7 Ų | 126.7 | 40% | 0.4 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70 | -44.2 | 175.6 | -71.6 | 169.3 | 0 | 0 | 0 | 110.1 | L472 Q473 R478 L479 L480 | L472-I476 HydrophobicContact CD2-CD1 4.34Å; L472-I476 HydrophobicContact CG-CD1 3.91Å; L472-I476 HydrophobicContact CG-CG1 4.47Å; L472-I476 WeakPolarHBondContact O-CB 3.28Å; L472-I476 VanDerWaalsContact O-CG1 3.24Å; L472-I476 WeakPolarHBondContact O-CG1 3.47Å; L472-I476 PolarHBondContact O-N 3.08Å; Q473-I476 PolarHBondContact O-N 3.44Å; I476-R478 PolarHBondContact O-N 2.9Å; I476-L479 CarbonylContact O-C 3.58Å; I476-L479 WeakPolarHBondContact O-CA 3.45Å; I476-L479 PolarHBondContact O-N 3.09Å; I476-L480 HydrophobicContact CG2-CD1 4.37Å; I476-L480 PolarHBondContact O-N 3.15Å |
| 477 | D | 72.4 | Confident | 68.9 | Low | 100 Ų | 100 | 122.9 Ų | 122.9 | 54% | 0.535 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -60.4 | -34.8 | 175.2 | -74.6 | -19.6 | 0 | 0 | 0 | 111.2 | Q473 L479 V481 | Q473-D477 WeakPolarHBondContact O-CB 3.3Å; Q473-D477 VanDerWaalsContact O-CG 3.31Å; Q473-D477 PolarHBondContact O-N 3.41Å; D477-L479 VanDerWaalsContact C-N 3.35Å; D477-V481 PolarHBondContact O-N 2.94Å |
| 478 | R | 69.1 | Low | 68.4 | Low | 195 Ų | 195 | 120.8 Ų | 120.8 | 74% | 0.736 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -75.1 | -19.6 | 173.5 | -162.2 | 177.8 | -179 | -162.6 | 0.2 | 114 | Y474 A475 I476 | Y474-R478 WeakPolarHBondContact O-CB 3.44Å; Y474-R478 PolarHBondContact O-N 3.25Å; Y474-R478 VanDerWaalsContact O-N 3.13Å; A475-R478 PolarHBondContact O-N 3.25Å; I476-R478 PolarHBondContact O-N 2.9Å |
| 479 | L | 68.1 | Low | 68 | Low | 146 Ų | 146 | 126.2 Ų | 126.2 | 76% | 0.764 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -91.1 | -28.2 | 176.7 | -147.1 | 92.9 | 0 | 0 | 0 | 112 | A475 I476 D477 | A475-L479 WeakPolarHBondContact O-CB 3.48Å; A475-L479 PolarHBondContact O-N 2.91Å; I476-L479 CarbonylContact O-C 3.58Å; I476-L479 WeakPolarHBondContact O-CA 3.45Å; I476-L479 PolarHBondContact O-N 3.09Å; D477-L479 VanDerWaalsContact C-N 3.35Å |
| 480 | L | 65.8 | Low | 67.4 | Low | 139 Ų | 139 | 126.9 Ų | 126.9 | 73% | 0.728 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -82.9 | -15.4 | 178.3 | -119.2 | 81.4 | 0 | 0 | 0 | 113.3 | I476 P482 | I476-L480 HydrophobicContact CG2-CD1 4.37Å; I476-L480 PolarHBondContact O-N 3.15Å; L480-P482 VanDerWaalsContact C-CD 3.49Å; L480-P482 WeakPolarHBondContact O-CD 3.4Å |
| 481 | V | 59 | Low | 66.8 | Low | 111 Ų | 111 | 127.2 Ų | 127.2 | 67% | 0.673 | 64% | 0.636 | S | S | * | * | trans | -111.1 | 87.7 | 168.4 | -174.7 | 0 | 0 | 0 | 0 | 108.8 | D477 | D477-V481 PolarHBondContact O-N 2.94Š| ||
| 482 | P | 54.8 | Low | 66.5 | Low | 103 Ų | 103 | 124 Ų | 124 | 67% | 0.669 | 64% | 0.638 | S | S | * | * | trans | -78.3 | 139.1 | 159.9 | 30.8 | -25.2 | 0 | 0 | 0 | 109 | L480 | L480-P482 VanDerWaalsContact C-CD 3.49Å; L480-P482 WeakPolarHBondContact O-CD 3.4Å | ||
| 483 | D | 50.8 | Low | 66.1 | Low | 241 Ų | 241 | 128.8 Ų | 128.8 | 100% | 1.289 | 66% | 0.662 | S | S | * | * | trans | -53.4 | 0 | 165.8 | -80 | -44.2 | 0 | 0 | 0 | 112.1 |
Retrieved 483 of 483 residues in 632.4 ms
(Link to these results)