| 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 | 42.4 | Very low | 44.8 | Very low | 245 Ų | 245 | 146.6 Ų | 146.6 | 100% | 1.207 | 82% | 0.824 | S | S | * | * | 0 | 115 | 0 | -76.6 | -76.9 | -101.4 | 0 | 0 | 106.8 | |||||
| 2 | G | 40.3 | Very low | 44.6 | Very low | 75 Ų | 75 | 145.8 Ų | 145.8 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | 75.9 | 143.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 3 | E | 46.3 | Very low | 44.8 | Very low | 190 Ų | 190 | 139.2 Ų | 139.2 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | cis | -170.4 | 174.1 | -4.6 | -115.3 | -156.7 | 173.2 | 0 | 0 | 106.1 | ||||
| 4 | P | 51.9 | Low | 45.3 | Very low | 100 Ų | 100 | 140.4 Ų | 140.4 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | trans | -126 | -178 | -137.7 | 30.6 | -6.7 | 0 | 0 | 0 | 114.8 | ||||
| 5 | V | 44.9 | Very low | 45.7 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | 65.1 | 133.3 | 148 | 177.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 6 | V | 52.3 | Low | 46.2 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 76% | 0.758 | 77% | 0.77 | S | S | * | * | -177.2 | 109.4 | 99.2 | 163.6 | 0 | 0 | 0 | 0 | 105.5 | |||||
| 7 | K | 42.7 | Very low | 46.8 | Very low | 180 Ų | 180 | 138.4 Ų | 138.4 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | 44.7 | 116.1 | 99.9 | -69.9 | -171.8 | 178.4 | -175.8 | 0 | 116 | |||||
| 8 | D | 43.4 | Very low | 47.3 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | -170.4 | 152.9 | 117.2 | -90.3 | -18.4 | 0 | 0 | 0 | 112.1 | |||||
| 9 | E | 45.6 | Very low | 47.9 | Very low | 184 Ų | 184 | 137.1 Ų | 137.1 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 171.7 | -163.8 | -88.4 | -174.6 | 168.9 | 0 | 0 | 116.4 | ||
| 10 | P | 40 | Very low | 48.5 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 125.1 | -153.6 | 34.4 | -30.3 | 0 | 0 | 0 | 113.2 | ||
| 11 | S | 43.3 | Very low | 49 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 118 | 161.4 | 50.7 | 0 | 0 | 0 | 0 | 109.4 | S13 | S11-S13 PolarHBondContact O-N 2.86Š|
| 12 | T | 42.4 | Very low | 49.9 | Very low | 136 Ų | 136 | 125.3 Ų | 125.3 | 83% | 0.834 | 69% | 0.694 | S | S | * | * | trans | -47 | 107.3 | 163 | 39.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 13 | S | 46.9 | Very low | 50.8 | Low | 60 Ų | 60 | 125.7 Ų | 125.7 | 42% | 0.42 | 68% | 0.681 | S | S | . | * | trans | -76 | 144.9 | -176.4 | 50 | 0 | 0 | 0 | 0 | 109.9 | S11 E15 D16 | S11-S13 PolarHBondContact O-N 2.86Å; S13-E15 PolarHBondContact O-N 3.01Å; S13-D16 PolarHBondContact O-N 2.82Å | ||
| 14 | Q | 52.6 | Low | 51.4 | Low | 156 Ų | 156 | 126.2 Ų | 126.2 | 73% | 0.729 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.5 | -12.6 | 173.9 | -94.7 | 171.9 | -75.3 | 0 | 0 | 115.4 | E17 E18 | Q14-E17 PolarHBondContact O-N 2.9Å; Q14-E18 PolarHBondContact O-N 3.45Å |
| 15 | E | 51.3 | Low | 51.6 | Low | 141 Ų | 141 | 124.4 Ų | 124.4 | 66% | 0.659 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -69.7 | -30.7 | -176.6 | -63.1 | 178.9 | 157.8 | 0 | 0 | 112.6 | S13 E17 | S13-E15 PolarHBondContact O-N 3.01Å; E15-E17 VanDerWaalsContact C-N 3.26Å; E15-E17 PolarHBondContact O-N 3.37Å |
| 16 | D | 53.6 | Low | 52.3 | Low | 114 Ų | 114 | 126.7 Ų | 126.7 | 61% | 0.61 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73 | -19.1 | 174.7 | -76.5 | -27.6 | 0 | 0 | 0 | 113 | S13 | S13-D16 PolarHBondContact O-N 2.82Å |
| 17 | E | 55.3 | Low | 52.4 | Low | 133 Ų | 133 | 130.1 Ų | 130.1 | 62% | 0.621 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -86.3 | -33.3 | -178.8 | -150.9 | 155.8 | -157 | 0 | 0 | 111.4 | Q14 E15 N20 I21 | Q14-E17 PolarHBondContact O-N 2.9Å; E15-E17 VanDerWaalsContact C-N 3.26Å; E15-E17 PolarHBondContact O-N 3.37Å; E17-N20 PolarHBondContact O-N 2.94Å; E17-I21 WeakPolarHBondContact O-CG1 3.37Å; E17-I21 PolarHBondContact O-N 2.83Å; E17-I21 VanDerWaalsContact O-N 3.16Å |
| 18 | E | 56.6 | Low | 52.8 | Low | 134 Ų | 134 | 127.3 Ų | 127.3 | 63% | 0.626 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.9 | -39.6 | 174.2 | -71.9 | -172 | 162.7 | 0 | 0 | 112.5 | Q14 N20 I21 A22 | Q14-E18 PolarHBondContact O-N 3.45Å; E18-N20 VanDerWaalsContact C-N 3.29Å; E18-N20 PolarHBondContact O-N 2.81Å; E18-I21 PolarHBondContact O-N 2.98Å; E18-A22 PolarHBondContact O-N 3.4Å |
| 19 | D | 57.9 | Low | 53.4 | Low | 117 Ų | 117 | 126.9 Ų | 126.9 | 63% | 0.626 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.3 | -34.8 | 176.2 | -99.1 | -6.3 | 0 | 0 | 0 | 112 | A22 V23 | D19-A22 PolarHBondContact O-N 3.22Å; D19-V23 WeakPolarHBondContact O-CG2 3.33Å; D19-V23 PolarHBondContact O-N 2.71Å; D19-V23 VanDerWaalsContact O-N 3.15Å |
| 20 | N | 60.5 | Low | 53.6 | Low | 109 Ų | 109 | 126.9 Ų | 126.9 | 58% | 0.583 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.9 | -36.3 | 174.9 | -105.2 | -52 | 0 | 0 | 0 | 113 | E17 E18 R24 | E17-N20 PolarHBondContact O-N 2.94Å; E18-N20 VanDerWaalsContact C-N 3.29Å; E18-N20 PolarHBondContact O-N 2.81Å; N20-R24 PolarHBondContact O-N 2.91Å; N20-R24 VanDerWaalsContact O-N 3.15Å |
| 21 | I | 59.3 | Low | 53.9 | Low | 112 Ų | 112 | 124.2 Ų | 124.2 | 57% | 0.574 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.9 | -41.9 | 176.1 | -66.2 | 165.4 | 0 | 0 | 0 | 110.1 | E17 E18 V23 R24 S25 | E17-I21 WeakPolarHBondContact O-CG1 3.37Å; E17-I21 PolarHBondContact O-N 2.83Å; E17-I21 VanDerWaalsContact O-N 3.16Å; E18-I21 PolarHBondContact O-N 2.98Å; I21-V23 PolarHBondContact O-N 3.41Å; I21-R24 PolarHBondContact O-N 3.05Å; I21-S25 WeakPolarHBondContact O-CB 3.35Å; I21-S25 PolarHBondContact O-N 2.86Å |
| 22 | A | 60.4 | Low | 54.2 | Low | 51 Ų | 51 | 123.9 Ų | 123.9 | 42% | 0.421 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.2 | -41.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E18 D19 S25 K26 | E18-A22 PolarHBondContact O-N 3.4Å; D19-A22 PolarHBondContact O-N 3.22Å; A22-S25 PolarHBondContact O-N 3.31Å; A22-K26 PolarHBondContact O-N 3.01Å |
| 23 | V | 60.6 | Low | 54.5 | Low | 84 Ų | 84 | 121.4 Ų | 121.4 | 51% | 0.509 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.2 | -41.5 | 177.1 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | D19 I21 K26 R27 | D19-V23 WeakPolarHBondContact O-CG2 3.33Å; D19-V23 PolarHBondContact O-N 2.71Å; D19-V23 VanDerWaalsContact O-N 3.15Å; I21-V23 PolarHBondContact O-N 3.41Å; V23-K26 PolarHBondContact O-N 3.26Å; V23-R27 PolarHBondContact O-N 2.93Å; V23-R27 VanDerWaalsContact O-N 3.09Å |
| 24 | R | 58 | Low | 54.4 | Low | 201 Ų | 201 | 127.4 Ų | 127.4 | 76% | 0.758 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.6 | -42.4 | 174.6 | -86.2 | -176.8 | 173.7 | 174.6 | 0.1 | 112.1 | N20 I21 K26 R27 L28 | N20-R24 PolarHBondContact O-N 2.91Å; N20-R24 VanDerWaalsContact O-N 3.15Å; I21-R24 PolarHBondContact O-N 3.05Å; R24-K26 PolarHBondContact O-N 3.39Å; R24-R27 PolarHBondContact O-N 3.42Å; R24-L28 PolarHBondContact O-N 2.86Å |
| 25 | S | 56.9 | Low | 54 | Low | 62 Ų | 62 | 126.8 Ų | 126.8 | 43% | 0.434 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.1 | -39 | 179.7 | -155 | 0 | 0 | 0 | 0 | 112.2 | I21 A22 L28 K29 | I21-S25 WeakPolarHBondContact O-CB 3.35Å; I21-S25 PolarHBondContact O-N 2.86Å; A22-S25 PolarHBondContact O-N 3.31Å; S25-L28 PolarHBondContact O-N 3.47Å; S25-K29 PolarHBondContact O-N 3.09Å |
| 26 | K | 57.8 | Low | 53.8 | Low | 169 Ų | 169 | 126.6 Ų | 126.6 | 74% | 0.735 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.4 | -38.5 | 172.4 | -85.9 | -179.6 | 177.8 | 171.2 | 0 | 113.2 | A22 V23 R24 R30 | A22-K26 PolarHBondContact O-N 3.01Å; V23-K26 PolarHBondContact O-N 3.26Å; R24-K26 PolarHBondContact O-N 3.39Å; K26-R30 PolarHBondContact O-N 3.03Å |
| 27 | R | 56 | Low | 53.5 | Low | 196 Ų | 196 | 130.3 Ų | 130.3 | 74% | 0.74 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.6 | -40.1 | 176.5 | -86.2 | -175.8 | 167.1 | -176 | -2.3 | 112.2 | V23 R24 R30 A31 | V23-R27 PolarHBondContact O-N 2.93Å; V23-R27 VanDerWaalsContact O-N 3.09Å; R24-R27 PolarHBondContact O-N 3.42Å; R27-R30 PolarHBondContact O-N 2.79Å; R27-A31 PolarHBondContact O-N 2.95Å |
| 28 | L | 51.1 | Low | 53 | Low | 122 Ų | 122 | 134.1 Ų | 134.1 | 64% | 0.639 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.6 | -43.5 | 179.4 | -166.4 | 68.6 | 0 | 0 | 0 | 111.8 | R24 S25 R30 A31 T32 | R24-L28 PolarHBondContact O-N 2.86Å; S25-L28 PolarHBondContact O-N 3.47Å; L28-R30 PolarHBondContact O-N 3.24Å; L28-A31 PolarHBondContact O-N 3.13Å; L28-A31 VanDerWaalsContact O-N 3.13Å; L28-T32 PolarHBondContact O-N 2.83Å; L28-T32 PolarHBondContact O-OG1 2.78Å |
| 29 | K | 55.7 | Low | 52.8 | Low | 154 Ų | 154 | 130.8 Ų | 130.8 | 67% | 0.67 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62.3 | -29.1 | 175.7 | -73 | -176.2 | 179 | -177.5 | 0 | 113.5 | S25 T32 | S25-K29 PolarHBondContact O-N 3.09Å; K29-T32 PolarHBondContact O-OG1 3.42Å |
| 30 | R | 50.1 | Low | 52.3 | Low | 183 Ų | 183 | 131.6 Ų | 131.6 | 69% | 0.691 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -80.8 | -19.1 | 178 | -152 | 174.5 | -172.4 | 175.7 | 2.3 | 113.1 | K26 R27 L28 | K26-R30 PolarHBondContact O-N 3.03Å; R27-R30 PolarHBondContact O-N 2.79Å; L28-R30 PolarHBondContact O-N 3.24Å |
| 31 | A | 46.6 | Very low | 51.9 | Low | 68 Ų | 68 | 133.9 Ų | 133.9 | 56% | 0.562 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -83.3 | -37.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | R27 L28 | R27-A31 PolarHBondContact O-N 2.95Å; L28-A31 PolarHBondContact O-N 3.13Å; L28-A31 VanDerWaalsContact O-N 3.13Å |
| 32 | T | 49.2 | Very low | 51.4 | Low | 99 Ų | 99 | 132 Ų | 132 | 61% | 0.607 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -74 | -28.5 | 177.8 | 47.2 | 0 | 0 | 0 | 0 | 113.4 | L28 K29 R34 | L28-T32 PolarHBondContact O-N 2.83Å; L28-T32 PolarHBondContact O-OG1 2.78Å; K29-T32 PolarHBondContact O-OG1 3.42Å; T32-R34 PolarHBondContact O-N 2.94Å |
| 33 | A | 47.4 | Very low | 50.7 | Low | 85 Ų | 85 | 138.5 Ų | 138.5 | 70% | 0.702 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 34 | R | 45 | Very low | 50 | Low | 185 Ų | 185 | 139.5 Ų | 139.5 | 70% | 0.698 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | 10.3 | -172.5 | -85.7 | -177.9 | 155.7 | 168.7 | -7 | 115.5 | T32 N36 | T32-R34 PolarHBondContact O-N 2.94Å; R34-N36 PolarHBondContact O-N 3.4Å |
| 35 | L | 45.7 | Very low | 49.1 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 75% | 0.749 | 69% | 0.686 | S | S | * | * | trans | -71.2 | 95.8 | 170.5 | -75.1 | 165 | 0 | 0 | 0 | 109.3 | Y37 | L35-Y37 WeakPolarHBondContact O-CD2 3.4Å; L35-Y37 PolarHBondContact O-N 3.47Å; L35-Y37 VanDerWaalsContact O-N 3.14Å | ||
| 36 | N | 46 | Very low | 48.4 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | trans | -61.7 | 101.8 | 174.8 | -104.8 | -31.1 | 0 | 0 | 0 | 110.3 | R34 R38 A39 | R34-N36 PolarHBondContact O-N 3.4Å; N36-R38 PolarHBondContact O-N 3.29Å; N36-R38 VanDerWaalsContact O-N 3.09Å; N36-A39 PolarHBondContact O-N 2.99Å | ||
| 37 | Y | 47.5 | Very low | 47.8 | Very low | 193 Ų | 193 | 139.4 Ų | 139.4 | 76% | 0.757 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -58 | -17.9 | 173.3 | -74.1 | -87.4 | 0 | 0 | 0 | 113.9 | L35 A39 L40 | L35-Y37 WeakPolarHBondContact O-CD2 3.4Å; L35-Y37 PolarHBondContact O-N 3.47Å; L35-Y37 VanDerWaalsContact O-N 3.14Å; Y37-A39 PolarHBondContact O-N 3.29Å; Y37-A39 VanDerWaalsContact O-N 3.13Å; Y37-L40 PolarHBondContact O-N 2.98Å |
| 38 | R | 44.9 | Very low | 47.3 | Very low | 213 Ų | 213 | 139 Ų | 139 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -66.3 | -12.3 | -179.5 | -153.9 | 175.7 | -172.8 | 175.5 | 2.6 | 115 | N36 | N36-R38 PolarHBondContact O-N 3.29Å; N36-R38 VanDerWaalsContact O-N 3.09Å |
| 39 | A | 53.5 | Low | 47.3 | Very low | 64 Ų | 64 | 139 Ų | 139 | 53% | 0.529 | 73% | 0.728 | S | S | . | * | G | 310 helix | trans | -89.8 | -13.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N36 Y37 | N36-A39 PolarHBondContact O-N 2.99Å; Y37-A39 PolarHBondContact O-N 3.29Å; Y37-A39 VanDerWaalsContact O-N 3.13Å |
| 40 | L | 45.8 | Very low | 46.8 | Very low | 133 Ų | 133 | 141 Ų | 141 | 70% | 0.696 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -20.1 | -178.9 | -71.2 | 169.3 | 0 | 0 | 0 | 113.1 | Y37 A42 | Y37-L40 PolarHBondContact O-N 2.98Å; L40-A42 VanDerWaalsContact C-N 3.34Å |
| 41 | E | 52.2 | Low | 46.7 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -81.3 | -11.4 | 177 | -69.3 | 175.8 | 178.1 | 0 | 0 | 113.5 | ||
| 42 | A | 49.1 | Very low | 46.6 | Very low | 73 Ų | 73 | 143.2 Ų | 143.2 | 60% | 0.603 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -87.1 | -1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | L40 | L40-A42 VanDerWaalsContact C-N 3.34Š|
| 43 | F | 45.9 | Very low | 46.5 | Very low | 188 Ų | 188 | 143.8 Ų | 143.8 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -105.5 | 3.1 | -177 | -81.6 | -81.2 | 0 | 0 | 0 | 114.7 | ||
| 44 | S | 46.8 | Very low | 46.5 | Very low | 105 Ų | 105 | 149.6 Ų | 149.6 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -107.3 | 11.1 | -174.2 | -60.2 | 0 | 0 | 0 | 0 | 115 | ||
| 45 | T | 37.7 | Very low | 46.8 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | trans | -134.7 | 92.4 | 177.7 | 51 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 46 | S | 41.9 | Very low | 47.4 | Very low | 121 Ų | 121 | 147.9 Ų | 147.9 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -139.2 | 98.3 | 160 | -168.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 47 | E | 45.1 | Very low | 47.4 | Very low | 183 Ų | 183 | 148.4 Ų | 148.4 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | -61.5 | 133.8 | 171 | -60 | 168 | 125.1 | 0 | 0 | 110.2 | ||||
| 48 | E | 46.1 | Very low | 47.5 | Very low | 189 Ų | 189 | 144.6 Ų | 144.6 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -151.3 | 96.6 | 144.4 | -75.8 | -150.2 | 141.4 | 0 | 0 | 109.9 | ||||
| 49 | S | 50.8 | Low | 47.4 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | trans | 25.3 | 137.7 | 146.9 | 58.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 50 | E | 45.6 | Very low | 47.3 | Very low | 196 Ų | 196 | 143.7 Ų | 143.7 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | trans | -65.5 | 151.2 | 175.2 | -57.3 | 160.4 | 157.4 | 0 | 0 | 115 | ||||
| 51 | D | 47.6 | Very low | 47.3 | Very low | 160 Ų | 160 | 148.1 Ų | 148.1 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -152.6 | 152.8 | 143.8 | -160.1 | 10.5 | 0 | 0 | 0 | 110.8 | ||||
| 52 | D | 45.5 | Very low | 47.3 | Very low | 138 Ų | 138 | 146.5 Ų | 146.5 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | trans | -84.3 | 156.8 | -138 | -99.3 | -45.3 | 0 | 0 | 0 | 118.3 | ||||
| 53 | S | 47.7 | Very low | 46.9 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | 74.4 | 100.6 | 138.9 | 69.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 54 | Y | 45.9 | Very low | 47.1 | Very low | 207 Ų | 207 | 147.5 Ų | 147.5 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | trans | -145.5 | 106.2 | 148.8 | -165.9 | -96.3 | 0 | 0 | 0 | 110.8 | P56 | Y54-P56 HydrophobicContact CD1-CG 4.36Å; Y54-P56 HydrophobicContact CE1-CB 4.01Å; Y54-P56 HydrophobicContact CE1-CG 4.05Å | ||
| 55 | E | 51 | Low | 47.2 | Very low | 190 Ų | 190 | 147.4 Ų | 147.4 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 124.4 | 163.5 | -74.6 | -163.3 | 160.6 | 0 | 0 | 109.5 | ||
| 56 | P | 59.1 | Low | 47.7 | Very low | 103 Ų | 103 | 146 Ų | 146 | 67% | 0.669 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -95 | 119 | 161.2 | 30.7 | -22.7 | 0 | 0 | 0 | 110.5 | Y54 | Y54-P56 HydrophobicContact CD1-CG 4.36Å; Y54-P56 HydrophobicContact CE1-CB 4.01Å; Y54-P56 HydrophobicContact CE1-CG 4.05Å |
| 57 | D | 46.1 | Very low | 48.1 | Very low | 147 Ų | 147 | 147.6 Ų | 147.6 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 164.1 | 177.8 | -149.2 | -6.7 | 0 | 0 | 0 | 112.7 | ||
| 58 | T | 49.6 | Very low | 48.3 | Very low | 114 Ų | 114 | 146 Ų | 146 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | trans | 96.9 | 96.8 | 159.5 | 73.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 59 | D | 42 | Very low | 48.3 | Very low | 154 Ų | 154 | 144.8 Ų | 144.8 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | 34.4 | 107.2 | 113.2 | -78 | -32.1 | 0 | 0 | 0 | 118.7 | |||||
| 60 | A | 51.5 | Low | 48.3 | Very low | 104 Ų | 104 | 145.4 Ų | 145.4 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -155.6 | 95.6 | 136.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 61 | R | 45.8 | Very low | 48.1 | Very low | 225 Ų | 225 | 142.5 Ų | 142.5 | 85% | 0.849 | 80% | 0.801 | S | S | * | * | trans | -41.9 | 138.3 | 161.7 | -66.7 | 170.2 | 165.8 | 178.5 | -6.1 | 111.9 | ||||
| 62 | S | 52.5 | Low | 48.4 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -157.3 | 103.6 | 137 | -79 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 63 | D | 41.4 | Very low | 48.1 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -54.1 | 135.4 | 164.1 | -67 | -51.1 | 0 | 0 | 0 | 110.5 | ||||
| 64 | S | 48.7 | Very low | 48 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | -151.4 | 118.7 | 144.8 | -83.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 65 | S | 48.7 | Very low | 47.5 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -79.2 | 146 | -166.3 | 60.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 66 | S | 49.6 | Very low | 47 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | trans | 34 | 123.6 | 133.8 | 74.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 67 | N | 49.2 | Very low | 46.1 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | 171 | 157.3 | 77.5 | -117.3 | 2.8 | 0 | 0 | 0 | 110.4 | |||||
| 68 | D | 49.9 | Very low | 45.7 | Very low | 149 Ų | 149 | 136.9 Ų | 136.9 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | 100.1 | 129.7 | 142.9 | -121.3 | -14.2 | 0 | 0 | 0 | 119.9 | ||||
| 69 | E | 45.7 | Very low | 45.2 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 77% | 0.771 | 82% | 0.817 | S | S | * | * | trans | -75.4 | 150.7 | -171.4 | -52.4 | -165 | 142.1 | 0 | 0 | 111.4 | ||||
| 70 | C | 51.1 | Low | 45.1 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 90% | 0.899 | 81% | 0.812 | S | S | * | * | trans | -161.3 | 108.7 | 144.5 | -99.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 71 | V | 42.3 | Very low | 44.6 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -75.1 | 128 | 164.8 | -151 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 72 | S | 52.4 | Low | 44.2 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -156.6 | 109 | 156.1 | -68.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 73 | D | 40.5 | Very low | 43.7 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -62.1 | 127.5 | 160.9 | -176.7 | 28.4 | 0 | 0 | 0 | 109 | ||||
| 74 | D | 45.2 | Very low | 43.7 | Very low | 163 Ų | 163 | 138 Ų | 138 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -167.4 | 125.9 | 154.8 | -96.7 | -36.1 | 0 | 0 | 0 | 110 | ||||
| 75 | G | 35.1 | Very low | 43.8 | Very low | 71 Ų | 71 | 134.9 Ų | 134.9 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | trans | -66.9 | 143.5 | -171 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 76 | D | 40.9 | Very low | 44.1 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -148.3 | 79.4 | 154.4 | -146 | -2.2 | 0 | 0 | 0 | 109.6 | Q78 | D76-Q78 PolarHBondContact O-N 3.48Š| ||
| 77 | S | 40.6 | Very low | 44.6 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -77.7 | 69 | 172 | -68.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 78 | Q | 37.1 | Very low | 45.2 | Very low | 164 Ų | 164 | 128.9 Ų | 128.9 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | trans | -172.9 | 84 | 164.4 | -111.4 | 172.8 | 6.6 | 0 | 0 | 112.1 | D76 | D76-Q78 PolarHBondContact O-N 3.48Š| ||
| 79 | K | 38.9 | Very low | 46 | Very low | 207 Ų | 207 | 123.2 Ų | 123.2 | 90% | 0.9 | 73% | 0.726 | S | S | * | * | trans | -179.7 | 152.7 | 148 | -101.4 | 151.7 | -172.2 | 175.3 | 0 | 111.1 | ||||
| 80 | A | 39.9 | Very low | 47 | Very low | 86 Ų | 86 | 119.3 Ų | 119.3 | 71% | 0.711 | 71% | 0.711 | S | S | * | * | trans | 86.5 | 42.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 118 | A82 | A80-A82 PolarHBondContact O-N 3.37Å; A80-A82 VanDerWaalsContact O-N 3.08Å | ||
| 81 | S | 40.2 | Very low | 47.9 | Very low | 129 Ų | 129 | 117.2 Ų | 117.2 | 90% | 0.902 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 85.8 | 138.1 | 65.7 | 0 | 0 | 0 | 0 | 108.7 | ||
| 82 | A | 38.6 | Very low | 49.3 | Very low | 83 Ų | 83 | 113.4 Ų | 113.4 | 69% | 0.686 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -162.9 | -26.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A80 | A80-A82 PolarHBondContact O-N 3.37Å; A80-A82 VanDerWaalsContact O-N 3.08Å |
| 83 | N | 41.8 | Very low | 50.3 | Low | 147 Ų | 147 | 112.3 Ų | 112.3 | 79% | 0.786 | 65% | 0.649 | S | S | * | * | trans | -129.1 | 31.3 | -166 | -72.6 | 2.8 | 0 | 0 | 0 | 114.4 | S85 | N83-S85 PolarHBondContact O-N 2.94Š| ||
| 84 | R | 41 | Very low | 51.9 | Low | 244 Ų | 244 | 111.7 Ų | 111.7 | 92% | 0.921 | 64% | 0.642 | S | S | * | * | trans | -74.9 | 86.5 | 161.1 | -68 | -172.1 | 178.4 | -159.3 | -2.5 | 105.9 | D86 | R84-D86 VanDerWaalsContact C-N 3.25Å; R84-D86 PolarHBondContact O-N 3.3Å | ||
| 85 | S | 51.8 | Low | 53.1 | Low | 63 Ų | 63 | 109.8 Ų | 109.8 | 44% | 0.441 | 62% | 0.623 | S | S | . | * | trans | -56.9 | 109.5 | 153.1 | 58.4 | 0 | 0 | 0 | 0 | 104.7 | N83 G87 D90 | N83-S85 PolarHBondContact O-N 2.94Å; S85-G87 PolarHBondContact O-N 3.08Å; S85-D90 VanDerWaalsContact CB-CG 3.49Å; S85-D90 WeakPolarHBondContact CB-OD1 3.49Å; S85-D90 WeakPolarHBondContact CB-OD2 3.49Å; S85-D90 PolarHBondContact OG-OD2 2.92Å | ||
| 86 | D | 53.4 | Low | 54.8 | Low | 123 Ų | 123 | 111.2 Ų | 111.2 | 66% | 0.658 | 61% | 0.611 | S | S | * | * | trans | -49.7 | 94 | 158.7 | 38.8 | -28.5 | 0 | 0 | 0 | 104.7 | R84 L88 G89 | R84-D86 VanDerWaalsContact C-N 3.25Å; R84-D86 PolarHBondContact O-N 3.3Å; D86-L88 CarbonylContact O-C 3.48Å; D86-L88 PolarHBondContact O-N 2.86Å; D86-G89 WeakPolarHBondContact O-CA 3.43Å; D86-G89 PolarHBondContact O-N 2.87Å | ||
| 87 | G | 60.2 | Low | 56.1 | Low | 50 Ų | 50 | 108 Ų | 108 | 52% | 0.515 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -55.3 | -9.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S85 L91 | S85-G87 PolarHBondContact O-N 3.08Å; G87-L91 VanDerWaalsContact O-CB 3.3Å; G87-L91 WeakPolarHBondContact O-CB 3.2Å; G87-L91 PolarHBondContact O-N 3.36Å |
| 88 | L | 62.7 | Low | 57.5 | Low | 55 Ų | 55 | 104.8 Ų | 104.8 | 29% | 0.288 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -73.9 | -36.7 | 169.8 | -150.7 | 146.1 | 0 | 0 | 0 | 113.2 | D86 L92 I143 N147 | D86-L88 CarbonylContact O-C 3.48Å; D86-L88 PolarHBondContact O-N 2.86Å; L88-L92 HydrophobicContact CD2-CD1 4Å; L88-L92 WeakPolarHBondContact O-CB 3.41Å; L88-L92 WeakPolarHBondContact O-CG 3.35Å; L88-L92 PolarHBondContact O-N 3.39Å; L88-I143 HydrophobicContact CD2-CG2 3.72Å; L88-N147 VanDerWaalsContact CD2-ND2 3.3Å; L88-N147 WeakPolarHBondContact CD2-ND2 3.47Å; L88-N147 WeakPolarHBondContact CD2-OD1 3.48Å |
| 89 | G | 65.6 | Low | 58.7 | Low | 29 Ų | 29 | 100.3 Ų | 100.3 | 30% | 0.299 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D86 L92 L93 | D86-G89 WeakPolarHBondContact O-CA 3.43Å; D86-G89 PolarHBondContact O-N 2.87Å; G89-L92 PolarHBondContact O-N 3.39Å; G89-L93 WeakPolarHBondContact O-CB 3.21Å; G89-L93 PolarHBondContact O-N 3.38Å |
| 90 | D | 68.3 | Low | 60 | Low | 84 Ų | 84 | 95.1 Ų | 95.1 | 45% | 0.449 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 173.4 | -71.5 | -11.9 | 0 | 0 | 0 | 111 | S85 L92 L93 E94 | S85-D90 VanDerWaalsContact CB-CG 3.49Å; S85-D90 WeakPolarHBondContact CB-OD1 3.49Å; S85-D90 WeakPolarHBondContact CB-OD2 3.49Å; S85-D90 PolarHBondContact OG-OD2 2.92Å; D90-L92 PolarHBondContact O-N 2.97Å; D90-L93 WeakPolarHBondContact O-CB 3.25Å; D90-L93 PolarHBondContact O-N 3.4Å; D90-E94 PolarHBondContact O-N 3.1Å |
| 91 | L | 68.7 | Low | 61.3 | Low | 88 Ų | 88 | 94.4 Ų | 94.4 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64 | -39.2 | 176.8 | -164.7 | 75.2 | 0 | 0 | 0 | 112.1 | G87 L93 E94 Y95 | G87-L91 VanDerWaalsContact O-CB 3.3Å; G87-L91 WeakPolarHBondContact O-CB 3.2Å; G87-L91 PolarHBondContact O-N 3.36Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-E94 PolarHBondContact O-N 3.06Å; L91-Y95 HydrophobicContact CG-CD2 4.22Å; L91-Y95 HydrophobicContact CG-CE2 4.48Å; L91-Y95 WeakPolarHBondContact O-CB 3.48Å; L91-Y95 PolarHBondContact O-N 3.08Å |
| 92 | L | 72.1 | Confident | 62.3 | Low | 54 Ų | 54 | 91 Ų | 91 | 28% | 0.283 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 173.9 | -86.9 | 166.4 | 0 | 0 | 0 | 111.6 | L88 G89 D90 Q96 L140 I143 | L88-L92 HydrophobicContact CD2-CD1 4Å; L88-L92 WeakPolarHBondContact O-CB 3.41Å; L88-L92 WeakPolarHBondContact O-CG 3.35Å; L88-L92 PolarHBondContact O-N 3.39Å; G89-L92 PolarHBondContact O-N 3.39Å; D90-L92 PolarHBondContact O-N 2.97Å; L92-Q96 VanDerWaalsContact O-CB 3.28Å; L92-Q96 WeakPolarHBondContact O-CB 3.16Å; L92-Q96 PolarHBondContact O-N 2.95Å; L92-L140 HydrophobicContact CD2-CD2 3.78Å; L92-I143 HydrophobicContact CD1-CG2 3.99Å; L92-I143 HydrophobicContact CD2-CD1 4.37Å; L92-I143 HydrophobicContact CD2-CG2 3.97Å; L92-I143 HydrophobicContact CG-CG2 4.13Å |
| 93 | L | 73.8 | Confident | 63.3 | Low | 94 Ų | 94 | 87.9 Ų | 87.9 | 49% | 0.492 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 177.2 | -166.7 | 70.7 | 0 | 0 | 0 | 110.8 | G89 D90 L91 Y95 Q96 E97 | G89-L93 WeakPolarHBondContact O-CB 3.21Å; G89-L93 PolarHBondContact O-N 3.38Å; D90-L93 WeakPolarHBondContact O-CB 3.25Å; D90-L93 PolarHBondContact O-N 3.4Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L93-Y95 PolarHBondContact O-N 2.78Å; L93-Q96 PolarHBondContact O-N 2.91Å; L93-E97 WeakPolarHBondContact O-CG 3.47Å; L93-E97 PolarHBondContact O-N 3.37Å |
| 94 | E | 73.4 | Confident | 64 | Low | 136 Ų | 136 | 84.5 Ų | 84.5 | 64% | 0.636 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60 | -46.1 | 175.8 | -172 | 179.7 | -175.7 | 0 | 0 | 111.5 | D90 L91 Q96 E97 A98 | D90-E94 PolarHBondContact O-N 3.1Å; L91-E94 PolarHBondContact O-N 3.06Å; E94-Q96 VanDerWaalsContact C-N 3.33Å; E94-Q96 PolarHBondContact O-N 3.14Å; E94-E97 PolarHBondContact O-N 2.96Å; E94-A98 WeakPolarHBondContact O-CB 3.3Å; E94-A98 PolarHBondContact O-N 3.38Å |
| 95 | Y | 70.5 | Confident | 64.7 | Low | 123 Ų | 123 | 74.8 Ų | 74.8 | 48% | 0.482 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.3 | -38.3 | 175.3 | -101.7 | -86 | 0 | 0 | 0 | 112.5 | L91 L93 A98 Y99 F136 | L91-Y95 HydrophobicContact CG-CD2 4.22Å; L91-Y95 HydrophobicContact CG-CE2 4.48Å; L91-Y95 WeakPolarHBondContact O-CB 3.48Å; L91-Y95 PolarHBondContact O-N 3.08Å; L93-Y95 PolarHBondContact O-N 2.78Å; Y95-A98 PolarHBondContact O-N 3.33Å; Y95-Y99 WeakPolarHBondContact O-CB 3.35Å; Y95-Y99 PolarHBondContact O-N 2.92Å; Y95-F136 HydrophobicContact CD1-CE2 4.09Å |
| 96 | Q | 71.1 | Confident | 64.8 | Low | 101 Ų | 101 | 75.8 Ų | 75.8 | 47% | 0.472 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.6 | -38.4 | 176.9 | -167.3 | -175.2 | 23.7 | 0 | 0 | 111.6 | L92 L93 E94 K100 | L92-Q96 VanDerWaalsContact O-CB 3.28Å; L92-Q96 WeakPolarHBondContact O-CB 3.16Å; L92-Q96 PolarHBondContact O-N 2.95Å; L93-Q96 PolarHBondContact O-N 2.91Å; E94-Q96 VanDerWaalsContact C-N 3.33Å; E94-Q96 PolarHBondContact O-N 3.14Å; Q96-K100 WeakPolarHBondContact O-CG 3.43Å; Q96-K100 PolarHBondContact O-N 3.13Å |
| 97 | E | 68.6 | Low | 64.8 | Low | 86 Ų | 86 | 74.6 Ų | 74.6 | 40% | 0.402 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.3 | -46.5 | 173.2 | -73.5 | -156.5 | -177.7 | 0 | 0 | 111.7 | L93 E94 Y99 K100 V101 S108 | L93-E97 WeakPolarHBondContact O-CG 3.47Å; L93-E97 PolarHBondContact O-N 3.37Å; E94-E97 PolarHBondContact O-N 2.96Å; E97-Y99 VanDerWaalsContact C-N 3.26Å; E97-Y99 PolarHBondContact O-N 3.49Å; E97-K100 PolarHBondContact O-N 3.05Å; E97-K100 VanDerWaalsContact O-N 3.1Å; E97-V101 WeakPolarHBondContact O-CG2 3.27Å; E97-V101 PolarHBondContact O-N 3.45Å; E97-S108 PolarHBondContact OE2-OG 2.99Å |
| 98 | A | 68.9 | Low | 64.5 | Low | 55 Ų | 55 | 75.2 Ų | 75.2 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -57.1 | -40.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E94 Y95 V101 A102 | E94-A98 WeakPolarHBondContact O-CB 3.3Å; E94-A98 PolarHBondContact O-N 3.38Å; Y95-A98 PolarHBondContact O-N 3.33Å; A98-V101 PolarHBondContact O-N 2.91Å; A98-A102 VanDerWaalsContact O-CB 3.25Å; A98-A102 WeakPolarHBondContact O-CB 3.46Å; A98-A102 PolarHBondContact O-N 3.48Å |
| 99 | Y | 64 | Low | 63.7 | Low | 69 Ų | 69 | 78.4 Ų | 78.4 | 27% | 0.271 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 174.9 | -177.8 | -91.3 | 0 | 0 | 0 | 112.4 | Y95 E97 V101 A102 V103 Y133 F136 | Y95-Y99 WeakPolarHBondContact O-CB 3.35Å; Y95-Y99 PolarHBondContact O-N 2.92Å; E97-Y99 VanDerWaalsContact C-N 3.26Å; E97-Y99 PolarHBondContact O-N 3.49Å; Y99-V101 VanDerWaalsContact C-N 3.3Å; Y99-V101 PolarHBondContact O-N 3.43Å; Y99-A102 PolarHBondContact O-N 2.92Å; Y99-V103 HydrophobicContact CD1-CB 4.48Å; Y99-V103 HydrophobicContact CD1-CG2 4.2Å; Y99-V103 HydrophobicContact CD2-CG2 3.61Å; Y99-V103 HydrophobicContact CE1-CB 4.22Å; Y99-V103 HydrophobicContact CE1-CG1 4.48Å; Y99-V103 HydrophobicContact CE1-CG2 4.04Å; Y99-V103 HydrophobicContact CE2-CB 4.44Å; Y99-V103 HydrophobicContact CE2-CG2 3.43Å; Y99-V103 VanDerWaalsContact CE2-CG2 3.43Å; Y99-V103 HydrophobicContact CG-CG2 4.01Å; Y99-V103 VanDerWaalsContact O-CB 3.27Å; Y99-V103 WeakPolarHBondContact O-CB 3.36Å; Y99-V103 WeakPolarHBondContact O-CG2 3.43Å; Y99-V103 PolarHBondContact O-N 3.49Å; Y99-Y133 HydrophobicContact CE2-CD1 4.16Å; Y99-Y133 HydrophobicContact CE2-CE1 4.08Å; Y99-Y133 AromaticContact CZ-CE1 3.97Å; Y99-Y133 WeakPolarHBondContact OH-CD1 3.45Å; Y99-Y133 WeakPolarHBondContact OH-CE1 3.49Å; Y99-F136 AromaticContact CD2-CD1 3.87Å; Y99-F136 HydrophobicContact CD2-CD1 3.87Å; Y99-F136 HydrophobicContact CD2-CD2 4.37Å; Y99-F136 AromaticContact CD2-CE1 3.58Å; Y99-F136 HydrophobicContact CD2-CE1 3.58Å; Y99-F136 HydrophobicContact CD2-CE2 4.13Å; Y99-F136 HydrophobicContact CD2-CG 4.25Å; Y99-F136 AromaticContact CD2-CZ 3.74Å; Y99-F136 HydrophobicContact CD2-CZ 3.74Å; Y99-F136 AromaticContact CE2-CD1 3.85Å; Y99-F136 HydrophobicContact CE2-CD1 3.85Å; Y99-F136 AromaticContact CE2-CE1 3.9Å; Y99-F136 HydrophobicContact CE2-CE1 3.9Å; Y99-F136 HydrophobicContact CE2-CG 4.38Å; Y99-F136 HydrophobicContact CE2-CZ 4.5Å; Y99-F136 HydrophobicContact CG-CE1 4.04Å; Y99-F136 HydrophobicContact CG-CZ 4.01Å |
| 100 | K | 65.9 | Low | 62.8 | Low | 99 Ų | 99 | 82.1 Ų | 82.1 | 43% | 0.43 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 176.5 | -74.5 | 171.1 | -176.3 | 168.2 | 0 | 111.9 | Q96 E97 C104 G105 | Q96-K100 WeakPolarHBondContact O-CG 3.43Å; Q96-K100 PolarHBondContact O-N 3.13Å; E97-K100 PolarHBondContact O-N 3.05Å; E97-K100 VanDerWaalsContact O-N 3.1Å; K100-C104 WeakPolarHBondContact O-CA 3.28Å; K100-C104 WeakPolarHBondContact O-CB 3.49Å; K100-C104 PolarHBondContact O-N 3.44Å; K100-C104 VanDerWaalsContact O-N 3.08Å; K100-G105 PolarHBondContact O-N 3.41Å |
| 101 | V | 66.8 | Low | 61.5 | Low | 71 Ų | 71 | 82.2 Ų | 82.2 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.3 | -47.1 | 178.3 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | E97 A98 Y99 G105 | E97-V101 WeakPolarHBondContact O-CG2 3.27Å; E97-V101 PolarHBondContact O-N 3.45Å; A98-V101 PolarHBondContact O-N 2.91Å; Y99-V101 VanDerWaalsContact C-N 3.3Å; Y99-V101 PolarHBondContact O-N 3.43Å; V101-G105 WeakPolarHBondContact O-CA 3.32Å; V101-G105 PolarHBondContact O-N 3.2Å |
| 102 | A | 62.2 | Low | 60.1 | Low | 56 Ų | 56 | 84.5 Ų | 84.5 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.5 | -43.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | A98 Y99 | A98-A102 VanDerWaalsContact O-CB 3.25Å; A98-A102 WeakPolarHBondContact O-CB 3.46Å; A98-A102 PolarHBondContact O-N 3.48Å; Y99-A102 PolarHBondContact O-N 2.92Å |
| 103 | V | 57.9 | Low | 58.8 | Low | 18 Ų | 18 | 90.4 Ų | 90.4 | 11% | 0.109 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -89.8 | -49 | -173.4 | -179.5 | 0 | 0 | 0 | 0 | 112.3 | Y99 L128 Y133 | Y99-V103 HydrophobicContact CD1-CB 4.48Å; Y99-V103 HydrophobicContact CD1-CG2 4.2Å; Y99-V103 HydrophobicContact CD2-CG2 3.61Å; Y99-V103 HydrophobicContact CE1-CB 4.22Å; Y99-V103 HydrophobicContact CE1-CG1 4.48Å; Y99-V103 HydrophobicContact CE1-CG2 4.04Å; Y99-V103 HydrophobicContact CE2-CB 4.44Å; Y99-V103 HydrophobicContact CE2-CG2 3.43Å; Y99-V103 VanDerWaalsContact CE2-CG2 3.43Å; Y99-V103 HydrophobicContact CG-CG2 4.01Å; Y99-V103 VanDerWaalsContact O-CB 3.27Å; Y99-V103 WeakPolarHBondContact O-CB 3.36Å; Y99-V103 WeakPolarHBondContact O-CG2 3.43Å; Y99-V103 PolarHBondContact O-N 3.49Å; V103-L128 HydrophobicContact CB-CD1 4.33Å; V103-L128 HydrophobicContact CG2-CD1 3.51Å; V103-Y133 HydrophobicContact CG1-CE1 3.91Å; V103-Y133 WeakPolarHBondContact CG1-OH 3.28Å; V103-Y133 HydrophobicContact CG2-CE1 4.14Å |
| 104 | C | 57.4 | Low | 57.1 | Low | 77 Ų | 77 | 92.1 Ų | 92.1 | 52% | 0.52 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -93.8 | -6.1 | -170.8 | -57.3 | 0 | 0 | 0 | 0 | 112.3 | K100 V106 | K100-C104 WeakPolarHBondContact O-CA 3.28Å; K100-C104 WeakPolarHBondContact O-CB 3.49Å; K100-C104 PolarHBondContact O-N 3.44Å; K100-C104 VanDerWaalsContact O-N 3.08Å; C104-V106 HydrophobicContact CB-CG2 3.79Å; C104-V106 WeakPolarHBondContact O-CG2 3.39Å; C104-V106 PolarHBondContact O-N 2.89Å; C104-V106 VanDerWaalsContact O-N 3.08Å |
| 105 | G | 55.2 | Low | 55.5 | Low | 40 Ų | 40 | 90.1 Ų | 90.1 | 41% | 0.412 | 54% | 0.543 | S | S | . | . | trans | 60.5 | 16.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K100 V101 P107 | K100-G105 PolarHBondContact O-N 3.41Å; V101-G105 WeakPolarHBondContact O-CA 3.32Å; V101-G105 PolarHBondContact O-N 3.2Å; G105-P107 VanDerWaalsContact O-CD 3.28Å; G105-P107 WeakPolarHBondContact O-CD 3.39Å | ||
| 106 | V | 55 | Low | 54.5 | Low | 83 Ų | 83 | 93.4 Ų | 93.4 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | trans | -87.8 | 111.2 | -178.2 | -177.5 | 0 | 0 | 0 | 0 | 107.1 | C104 S108 | C104-V106 HydrophobicContact CB-CG2 3.79Å; C104-V106 WeakPolarHBondContact O-CG2 3.39Å; C104-V106 PolarHBondContact O-N 2.89Å; C104-V106 VanDerWaalsContact O-N 3.08Å; V106-S108 PolarHBondContact O-N 3.28Å | ||
| 107 | P | 53 | Low | 52.7 | Low | 98 Ų | 98 | 100.9 Ų | 100.9 | 64% | 0.636 | 58% | 0.583 | S | S | * | * | trans | -62.8 | 135.3 | 171.3 | 25.2 | -30.6 | 0 | 0 | 0 | 109.4 | G105 S109 | G105-P107 VanDerWaalsContact O-CD 3.28Å; G105-P107 WeakPolarHBondContact O-CD 3.39Å; P107-S109 PolarHBondContact O-N 2.85Å | ||
| 108 | S | 54.2 | Low | 51.6 | Low | 63 Ų | 63 | 100.8 Ų | 100.8 | 44% | 0.441 | 60% | 0.597 | S | S | . | * | trans | -52 | 111.5 | 170.7 | -69.5 | 0 | 0 | 0 | 0 | 108.5 | E97 V106 S110 | E97-S108 PolarHBondContact OE2-OG 2.99Å; V106-S108 PolarHBondContact O-N 3.28Å; S108-S110 PolarHBondContact O-N 2.87Å | ||
| 109 | S | 45.2 | Very low | 50.6 | Low | 123 Ų | 123 | 108 Ų | 108 | 86% | 0.86 | 62% | 0.618 | S | S | * | * | trans | -76.8 | 102.9 | -174.7 | 158.5 | 0 | 0 | 0 | 0 | 110 | P107 | P107-S109 PolarHBondContact O-N 2.85Š| ||
| 110 | S | 46.1 | Very low | 49.7 | Very low | 106 Ų | 106 | 112.6 Ų | 112.6 | 74% | 0.741 | 64% | 0.644 | S | S | * | * | trans | -142.5 | 117.4 | 151.8 | 63.1 | 0 | 0 | 0 | 0 | 110.4 | S108 | S108-S110 PolarHBondContact O-N 2.87Š| ||
| 111 | A | 42.8 | Very low | 48.8 | Very low | 86 Ų | 86 | 112.4 Ų | 112.4 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | trans | 69.2 | 116 | 157.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 112 | D | 38 | Very low | 47.7 | Very low | 136 Ų | 136 | 114.8 Ų | 114.8 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | trans | 54.3 | 100.1 | 136.3 | -60.1 | -30.8 | 0 | 0 | 0 | 119.1 | ||||
| 113 | H | 44.2 | Very low | 47.1 | Very low | 178 Ų | 178 | 119.7 Ų | 119.7 | 82% | 0.824 | 68% | 0.683 | S | S | * | * | -175.8 | 118.5 | 110.3 | -92.4 | -58.9 | 0 | 0 | 0 | 110.8 | S115 | H113-S115 PolarHBondContact O-N 3.46Š| |||
| 114 | P | 38.7 | Very low | 46.4 | Very low | 130 Ų | 130 | 125 Ų | 125 | 84% | 0.844 | 72% | 0.716 | S | S | * | * | trans | -86.4 | 84.7 | 173.8 | 34.4 | -29 | 0 | 0 | 0 | 108.3 | ||||
| 115 | S | 40.5 | Very low | 46.1 | Very low | 95 Ų | 95 | 125.2 Ų | 125.2 | 66% | 0.664 | 71% | 0.714 | S | S | * | * | trans | -149.5 | 119.4 | 171.8 | -160 | 0 | 0 | 0 | 0 | 111.5 | H113 | H113-S115 PolarHBondContact O-N 3.46Š| ||
| 116 | K | 48.1 | Very low | 46 | Very low | 192 Ų | 192 | 127 Ų | 127 | 84% | 0.835 | 72% | 0.718 | S | S | * | * | trans | 75.9 | 88.9 | 177.8 | -53.1 | 176.2 | -176.8 | 175.9 | 0 | 113.9 | A118 | K116-A118 PolarHBondContact O-N 2.99Š| ||
| 117 | R | 34.2 | Very low | 46 | Very low | 257 Ų | 257 | 129.8 Ų | 129.8 | 97% | 0.97 | 74% | 0.736 | S | S | * | * | trans | -55.2 | 88.5 | 157.4 | -81.2 | -177.7 | 177.2 | 177.8 | -0.9 | 109.2 | K119 | R117-K119 PolarHBondContact O-N 3.18Š| ||
| 118 | A | 45.6 | Very low | 46.3 | Very low | 84 Ų | 84 | 126.8 Ų | 126.8 | 69% | 0.694 | 71% | 0.714 | S | S | * | * | trans | -65.5 | 126.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | K116 M120 | K116-A118 PolarHBondContact O-N 2.99Å; A118-M120 VanDerWaalsContact C-N 3.35Å; A118-M120 PolarHBondContact O-N 3.18Å | ||
| 119 | K | 47.4 | Very low | 46.9 | Very low | 207 Ų | 207 | 126.4 Ų | 126.4 | 90% | 0.9 | 71% | 0.712 | S | S | * | * | trans | -57.6 | 101.8 | 171.3 | -68.1 | 175.5 | 178.5 | 177.6 | 0 | 106.7 | R117 S121 | R117-K119 PolarHBondContact O-N 3.18Å; K119-S121 PolarHBondContact O-N 3.47Å | ||
| 120 | M | 45.5 | Very low | 48.3 | Very low | 166 Ų | 166 | 125.5 Ų | 125.5 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | -61.6 | 105.8 | 172 | -81.9 | -172.6 | 135 | 0 | 0 | 106.8 | A118 | A118-M120 VanDerWaalsContact C-N 3.35Å; A118-M120 PolarHBondContact O-N 3.18Å | ||
| 121 | S | 46.5 | Very low | 49.9 | Very low | 94 Ų | 94 | 126.3 Ų | 126.3 | 66% | 0.657 | 70% | 0.699 | S | S | * | * | trans | -49.7 | 140.6 | 154.6 | 35.3 | 0 | 0 | 0 | 0 | 107.4 | K119 K123 | K119-S121 PolarHBondContact O-N 3.47Å; S121-K123 VanDerWaalsContact C-N 3.35Å; S121-K123 PolarHBondContact O-N 3.13Å | ||
| 122 | P | 44.1 | Very low | 51.4 | Low | 121 Ų | 121 | 128 Ų | 128 | 79% | 0.786 | 69% | 0.688 | S | S | * | * | trans | -57.1 | 107.9 | 173.4 | 23.8 | -29.4 | 0 | 0 | 0 | 106.1 | V124 | P122-V124 PolarHBondContact O-N 3.29Š| ||
| 123 | K | 49 | Very low | 53.1 | Low | 160 Ų | 160 | 125.1 Ų | 125.1 | 70% | 0.696 | 67% | 0.667 | S | S | * | * | trans | -56.4 | 109.7 | 170.2 | -112 | 173.7 | 174.7 | 179.9 | 0 | 103.8 | S121 V125 | S121-K123 VanDerWaalsContact C-N 3.35Å; S121-K123 PolarHBondContact O-N 3.13Å; K123-V125 PolarHBondContact O-N 3.36Å | ||
| 124 | V | 44.8 | Very low | 54.8 | Low | 130 Ų | 130 | 121.8 Ų | 121.8 | 79% | 0.788 | 65% | 0.652 | S | S | * | * | trans | -56.1 | 99.3 | 166.1 | 179.8 | 0 | 0 | 0 | 0 | 103.7 | P122 P126 | P122-V124 PolarHBondContact O-N 3.29Å; V124-P126 WeakPolarHBondContact O-CD 3.45Å; V124-P126 VanDerWaalsContact O-N 3.09Å | ||
| 125 | V | 51.2 | Low | 56.7 | Low | 80 Ų | 80 | 120.2 Ų | 120.2 | 49% | 0.485 | 63% | 0.633 | S | S | . | * | trans | -57 | 117.9 | 170.3 | 178.4 | 0 | 0 | 0 | 0 | 103.4 | K123 T127 | K123-V125 PolarHBondContact O-N 3.36Å; V125-T127 PolarHBondContact O-N 3.19Å | ||
| 126 | P | 52 | Low | 58.5 | Low | 78 Ų | 78 | 117.1 Ų | 117.1 | 51% | 0.506 | 61% | 0.608 | S | S | . | * | trans | -53.4 | 120.7 | 173.9 | 20.9 | -28.1 | 0 | 0 | 0 | 105.1 | V124 L128 | V124-P126 WeakPolarHBondContact O-CD 3.45Å; V124-P126 VanDerWaalsContact O-N 3.09Å; P126-L128 PolarHBondContact O-N 2.97Å | ||
| 127 | T | 55.5 | Low | 60 | Low | 142 Ų | 142 | 111.4 Ų | 111.4 | 87% | 0.871 | 59% | 0.589 | S | S | * | * | trans | -66.9 | 89.1 | 175.6 | -43.3 | 0 | 0 | 0 | 0 | 104.7 | V125 S129 | V125-T127 PolarHBondContact O-N 3.19Å; T127-S129 PolarHBondContact O-N 3.15Å | ||
| 128 | L | 58.2 | Low | 62.4 | Low | 34 Ų | 34 | 102.5 Ų | 102.5 | 18% | 0.178 | 56% | 0.561 | C | S | . | * | trans | -59 | 125.9 | 178.1 | -72.5 | 168.6 | 0 | 0 | 0 | 105.9 | V103 P126 Y132 Y133 | V103-L128 HydrophobicContact CB-CD1 4.33Å; V103-L128 HydrophobicContact CG2-CD1 3.51Å; P126-L128 PolarHBondContact O-N 2.97Å; L128-Y132 HydrophobicContact CB-CD1 4.41Å; L128-Y132 HydrophobicContact CD1-CD1 4.2Å; L128-Y132 HydrophobicContact CD1-CE1 4.42Å; L128-Y132 HydrophobicContact CD2-CD1 3.75Å; L128-Y132 HydrophobicContact CD2-CE1 4.05Å; L128-Y132 HydrophobicContact CD2-CG 4.16Å; L128-Y132 HydrophobicContact CG-CD1 4.35Å; L128-Y133 HydrophobicContact CB-CD2 4.13Å; L128-Y133 HydrophobicContact CB-CE2 3.5Å; L128-Y133 HydrophobicContact CD1-CE1 4.32Å; L128-Y133 HydrophobicContact CD1-CE2 4.37Å | ||
| 129 | S | 66.7 | Low | 64.4 | Low | 56 Ų | 56 | 103.3 Ų | 103.3 | 39% | 0.392 | 55% | 0.548 | S | S | . | . | trans | -52.7 | 139.1 | 176.4 | -175.8 | 0 | 0 | 0 | 0 | 108 | T127 D131 Y132 Y133 | T127-S129 PolarHBondContact O-N 3.15Å; S129-D131 PolarHBondContact O-N 3.35Å; S129-D131 PolarHBondContact OG-N 2.85Å; S129-D131 PolarHBondContact OG-OD2 3.3Å; S129-Y132 WeakPolarHBondContact O-CB 3.44Å; S129-Y132 PolarHBondContact O-N 3.46Å; S129-Y133 PolarHBondContact O-N 3.33Å | ||
| 130 | P | 75.7 | Confident | 66.2 | Low | 103 Ų | 103 | 96.8 Ų | 96.8 | 67% | 0.669 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -44.9 | -32.8 | 167.4 | -28.8 | 35.7 | 0 | 0 | 0 | 112.7 | Y132 Y133 Q134 | P130-Y132 VanDerWaalsContact C-N 3.32Å; P130-Y132 PolarHBondContact O-N 3.42Å; P130-Y133 PolarHBondContact O-N 3.05Å; P130-Q134 PolarHBondContact O-N 3.43Å |
| 131 | D | 78.4 | Confident | 68.3 | Low | 123 Ų | 123 | 94 Ų | 94 | 66% | 0.658 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.9 | -36.1 | 175.8 | -50.5 | -39.4 | 0 | 0 | 0 | 113 | S129 Q134 H135 | S129-D131 PolarHBondContact O-N 3.35Å; S129-D131 PolarHBondContact OG-N 2.85Å; S129-D131 PolarHBondContact OG-OD2 3.3Å; D131-Q134 PolarHBondContact O-N 3.5Å; D131-H135 WeakPolarHBondContact O-CB 3.4Å; D131-H135 PolarHBondContact O-N 2.92Å |
| 132 | Y | 74.4 | Confident | 70.3 | Confident | 123 Ų | 123 | 92.9 Ų | 92.9 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.1 | -40 | 178.5 | -172.1 | -92.4 | 0 | 0 | 0 | 111.5 | L128 S129 P130 Q134 F136 | L128-Y132 HydrophobicContact CB-CD1 4.41Å; L128-Y132 HydrophobicContact CD1-CD1 4.2Å; L128-Y132 HydrophobicContact CD1-CE1 4.42Å; L128-Y132 HydrophobicContact CD2-CD1 3.75Å; L128-Y132 HydrophobicContact CD2-CE1 4.05Å; L128-Y132 HydrophobicContact CD2-CG 4.16Å; L128-Y132 HydrophobicContact CG-CD1 4.35Å; S129-Y132 WeakPolarHBondContact O-CB 3.44Å; S129-Y132 PolarHBondContact O-N 3.46Å; P130-Y132 VanDerWaalsContact C-N 3.32Å; P130-Y132 PolarHBondContact O-N 3.42Å; Y132-Q134 VanDerWaalsContact C-N 3.35Å; Y132-F136 WeakPolarHBondContact O-CB 3.48Å; Y132-F136 PolarHBondContact O-N 3.19Å |
| 133 | Y | 74.6 | Confident | 72.3 | Confident | 75 Ų | 75 | 89.6 Ų | 89.6 | 29% | 0.294 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 173.1 | -72.7 | -74 | 0 | 0 | 0 | 111.7 | Y99 V103 L128 S129 P130 F136 T137 | Y99-Y133 HydrophobicContact CE2-CD1 4.16Å; Y99-Y133 HydrophobicContact CE2-CE1 4.08Å; Y99-Y133 AromaticContact CZ-CE1 3.97Å; Y99-Y133 WeakPolarHBondContact OH-CD1 3.45Å; Y99-Y133 WeakPolarHBondContact OH-CE1 3.49Å; V103-Y133 HydrophobicContact CG1-CE1 3.91Å; V103-Y133 WeakPolarHBondContact CG1-OH 3.28Å; V103-Y133 HydrophobicContact CG2-CE1 4.14Å; L128-Y133 HydrophobicContact CB-CD2 4.13Å; L128-Y133 HydrophobicContact CB-CE2 3.5Å; L128-Y133 HydrophobicContact CD1-CE1 4.32Å; L128-Y133 HydrophobicContact CD1-CE2 4.37Å; S129-Y133 PolarHBondContact O-N 3.33Å; P130-Y133 PolarHBondContact O-N 3.05Å; Y133-F136 PolarHBondContact O-N 2.95Å; Y133-T137 WeakPolarHBondContact O-CB 3.48Å; Y133-T137 PolarHBondContact O-N 2.86Å; Y133-T137 PolarHBondContact O-OG1 3.37Å |
| 134 | Q | 79.2 | Confident | 74.1 | Confident | 107 Ų | 107 | 86.1 Ų | 86.1 | 50% | 0.5 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.3 | -50 | 177.5 | -169.8 | 59.9 | 44.7 | 0 | 0 | 110.8 | P130 D131 Y132 F136 T137 D138 | P130-Q134 PolarHBondContact O-N 3.43Å; D131-Q134 PolarHBondContact O-N 3.5Å; Y132-Q134 VanDerWaalsContact C-N 3.35Å; Q134-F136 VanDerWaalsContact C-N 3.27Å; Q134-F136 PolarHBondContact O-N 2.97Å; Q134-T137 WeakPolarHBondContact O-CA 3.39Å; Q134-T137 WeakPolarHBondContact O-CB 3.38Å; Q134-T137 PolarHBondContact O-N 3Å; Q134-D138 PolarHBondContact NE2-OD1 2.88Å; Q134-D138 PolarHBondContact O-N 2.68Å |
| 135 | H | 78.8 | Confident | 76.3 | Confident | 98 Ų | 98 | 84.7 Ų | 84.7 | 45% | 0.454 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57.2 | -39.3 | 176.8 | 177.4 | -106.2 | 0 | 0 | 0 | 112.5 | D131 K139 | D131-H135 WeakPolarHBondContact O-CB 3.4Å; D131-H135 PolarHBondContact O-N 2.92Å; H135-K139 WeakPolarHBondContact CE1-CE 3.36Å; H135-K139 PolarHBondContact CE1-NZ 3.35Å; H135-K139 VanDerWaalsContact NE2-CE 3.35Å; H135-K139 WeakPolarHBondContact NE2-CE 3.37Å; H135-K139 WeakPolarHBondContact O-CB 3.3Å; H135-K139 WeakPolarHBondContact O-CG 3.42Å; H135-K139 PolarHBondContact O-N 2.72Å |
| 136 | F | 77.7 | Confident | 78.2 | Confident | 30 Ų | 30 | 85.2 Ų | 85.2 | 13% | 0.132 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 174.1 | -174.4 | -99.4 | 0 | 0 | 0 | 112.7 | Y95 Y99 Y132 Y133 Q134 K139 L140 | Y95-F136 HydrophobicContact CD1-CE2 4.09Å; Y99-F136 AromaticContact CD2-CD1 3.87Å; Y99-F136 HydrophobicContact CD2-CD1 3.87Å; Y99-F136 HydrophobicContact CD2-CD2 4.37Å; Y99-F136 AromaticContact CD2-CE1 3.58Å; Y99-F136 HydrophobicContact CD2-CE1 3.58Å; Y99-F136 HydrophobicContact CD2-CE2 4.13Å; Y99-F136 HydrophobicContact CD2-CG 4.25Å; Y99-F136 AromaticContact CD2-CZ 3.74Å; Y99-F136 HydrophobicContact CD2-CZ 3.74Å; Y99-F136 AromaticContact CE2-CD1 3.85Å; Y99-F136 HydrophobicContact CE2-CD1 3.85Å; Y99-F136 AromaticContact CE2-CE1 3.9Å; Y99-F136 HydrophobicContact CE2-CE1 3.9Å; Y99-F136 HydrophobicContact CE2-CG 4.38Å; Y99-F136 HydrophobicContact CE2-CZ 4.5Å; Y99-F136 HydrophobicContact CG-CE1 4.04Å; Y99-F136 HydrophobicContact CG-CZ 4.01Å; Y132-F136 WeakPolarHBondContact O-CB 3.48Å; Y132-F136 PolarHBondContact O-N 3.19Å; Y133-F136 PolarHBondContact O-N 2.95Å; Q134-F136 VanDerWaalsContact C-N 3.27Å; Q134-F136 PolarHBondContact O-N 2.97Å; F136-K139 PolarHBondContact O-N 3.24Å; F136-L140 HydrophobicContact CD1-CD1 3.86Å; F136-L140 HydrophobicContact CD1-CG 4.35Å; F136-L140 HydrophobicContact CE1-CD1 3.33Å; F136-L140 HydrophobicContact CE1-CG 3.98Å; F136-L140 HydrophobicContact CZ-CD1 3.93Å; F136-L140 HydrophobicContact CZ-CD2 4.5Å; F136-L140 HydrophobicContact CZ-CG 4.21Å; F136-L140 PolarHBondContact O-N 3.28Å |
| 137 | T | 81.4 | Confident | 79.9 | Confident | 72 Ų | 72 | 84 Ų | 84 | 44% | 0.442 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 177.5 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | Y133 Q134 K139 L140 Q141 | Y133-T137 WeakPolarHBondContact O-CB 3.48Å; Y133-T137 PolarHBondContact O-N 2.86Å; Y133-T137 PolarHBondContact O-OG1 3.37Å; Q134-T137 WeakPolarHBondContact O-CA 3.39Å; Q134-T137 WeakPolarHBondContact O-CB 3.38Å; Q134-T137 PolarHBondContact O-N 3Å; T137-K139 VanDerWaalsContact C-N 3.34Å; T137-K139 PolarHBondContact O-N 3.02Å; T137-L140 PolarHBondContact O-N 3.34Å; T137-Q141 PolarHBondContact O-N 3.47Å |
| 138 | D | 84.7 | Confident | 81.5 | Confident | 70 Ų | 70 | 82.6 Ų | 82.6 | 37% | 0.374 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 178 | -61.1 | -17.8 | 0 | 0 | 0 | 111.3 | Q134 Q141 S142 | Q134-D138 PolarHBondContact NE2-OD1 2.88Å; Q134-D138 PolarHBondContact O-N 2.68Å; D138-Q141 PolarHBondContact O-N 2.8Å; D138-S142 WeakPolarHBondContact O-CB 3.37Å; D138-S142 PolarHBondContact O-N 3.09Å; D138-S142 PolarHBondContact O-OG 2.78Å |
| 139 | K | 87.1 | Confident | 82.9 | Confident | 100 Ų | 100 | 84 Ų | 84 | 44% | 0.435 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 173.7 | -79.9 | -173.3 | 170.4 | -170 | 0 | 112.4 | H135 F136 T137 Q141 S142 I143 | H135-K139 WeakPolarHBondContact CE1-CE 3.36Å; H135-K139 PolarHBondContact CE1-NZ 3.35Å; H135-K139 VanDerWaalsContact NE2-CE 3.35Å; H135-K139 WeakPolarHBondContact NE2-CE 3.37Å; H135-K139 WeakPolarHBondContact O-CB 3.3Å; H135-K139 WeakPolarHBondContact O-CG 3.42Å; H135-K139 PolarHBondContact O-N 2.72Å; F136-K139 PolarHBondContact O-N 3.24Å; T137-K139 VanDerWaalsContact C-N 3.34Å; T137-K139 PolarHBondContact O-N 3.02Å; K139-Q141 VanDerWaalsContact C-N 3.32Å; K139-Q141 PolarHBondContact O-N 3.48Å; K139-S142 PolarHBondContact O-N 3.25Å; K139-I143 VanDerWaalsContact O-CG1 3.3Å; K139-I143 WeakPolarHBondContact O-CG1 3.45Å; K139-I143 PolarHBondContact O-N 3.26Å |
| 140 | L | 85.2 | Confident | 83.9 | Confident | 70 Ų | 70 | 84.7 Ų | 84.7 | 37% | 0.366 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 176.4 | -77.6 | 179.7 | 0 | 0 | 0 | 112.1 | L92 F136 T137 I143 N144 | L92-L140 HydrophobicContact CD2-CD2 3.78Å; F136-L140 HydrophobicContact CD1-CD1 3.86Å; F136-L140 HydrophobicContact CD1-CG 4.35Å; F136-L140 HydrophobicContact CE1-CD1 3.33Å; F136-L140 HydrophobicContact CE1-CG 3.98Å; F136-L140 HydrophobicContact CZ-CD1 3.93Å; F136-L140 HydrophobicContact CZ-CD2 4.5Å; F136-L140 HydrophobicContact CZ-CG 4.21Å; F136-L140 PolarHBondContact O-N 3.28Å; T137-L140 PolarHBondContact O-N 3.34Å; L140-I143 PolarHBondContact O-N 3.23Å; L140-N144 WeakPolarHBondContact O-CB 3.13Å; L140-N144 PolarHBondContact O-N 3.38Å |
| 141 | Q | 88.5 | Confident | 84.3 | Confident | 108 Ų | 108 | 83.2 Ų | 83.2 | 51% | 0.505 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 174.9 | -176.9 | 177.8 | -22.2 | 0 | 0 | 111.1 | T137 D138 K139 I143 N144 E145 | T137-Q141 PolarHBondContact O-N 3.47Å; D138-Q141 PolarHBondContact O-N 2.8Å; K139-Q141 VanDerWaalsContact C-N 3.32Å; K139-Q141 PolarHBondContact O-N 3.48Å; Q141-I143 VanDerWaalsContact C-N 3.34Å; Q141-I143 PolarHBondContact O-N 3.41Å; Q141-N144 WeakPolarHBondContact O-CB 3.3Å; Q141-N144 PolarHBondContact O-N 2.96Å; Q141-N144 VanDerWaalsContact O-N 3.13Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.48Å; Q141-E145 PolarHBondContact NE2-OE1 2.85Å; Q141-E145 WeakPolarHBondContact O-CG 3.43Å; Q141-E145 PolarHBondContact O-N 3.2Å |
| 142 | S | 88.3 | Confident | 84.8 | Confident | 71 Ų | 71 | 81.3 Ų | 81.3 | 50% | 0.497 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 178.1 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | D138 K139 N144 E145 L146 | D138-S142 WeakPolarHBondContact O-CB 3.37Å; D138-S142 PolarHBondContact O-N 3.09Å; D138-S142 PolarHBondContact O-OG 2.78Å; K139-S142 PolarHBondContact O-N 3.25Å; S142-N144 VanDerWaalsContact C-N 3.34Å; S142-N144 PolarHBondContact O-N 3.32Å; S142-E145 PolarHBondContact O-N 3.37Å; S142-L146 WeakPolarHBondContact O-CB 3.35Å; S142-L146 PolarHBondContact O-N 3.03Å |
| 143 | I | 87.7 | Confident | 85.3 | Confident | 52 Ų | 52 | 78.9 Ų | 78.9 | 27% | 0.267 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 175.6 | -68.7 | 165.3 | 0 | 0 | 0 | 111 | L88 L92 K139 L140 Q141 L146 N147 | L88-I143 HydrophobicContact CD2-CG2 3.72Å; L92-I143 HydrophobicContact CD1-CG2 3.99Å; L92-I143 HydrophobicContact CD2-CD1 4.37Å; L92-I143 HydrophobicContact CD2-CG2 3.97Å; L92-I143 HydrophobicContact CG-CG2 4.13Å; K139-I143 VanDerWaalsContact O-CG1 3.3Å; K139-I143 WeakPolarHBondContact O-CG1 3.45Å; K139-I143 PolarHBondContact O-N 3.26Å; L140-I143 PolarHBondContact O-N 3.23Å; Q141-I143 VanDerWaalsContact C-N 3.34Å; Q141-I143 PolarHBondContact O-N 3.41Å; I143-L146 PolarHBondContact O-N 3.1Å; I143-N147 PolarHBondContact O-N 3.04Å; I143-N147 PolarHBondContact O-ND2 3.32Å |
| 144 | N | 86.4 | Confident | 85.9 | Confident | 86 Ų | 86 | 80.4 Ų | 80.4 | 46% | 0.46 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 177.8 | -175.6 | 50.4 | 0 | 0 | 0 | 112.2 | L140 Q141 S142 N147 Q148 | L140-N144 WeakPolarHBondContact O-CB 3.13Å; L140-N144 PolarHBondContact O-N 3.38Å; Q141-N144 WeakPolarHBondContact O-CB 3.3Å; Q141-N144 PolarHBondContact O-N 2.96Å; Q141-N144 VanDerWaalsContact O-N 3.13Å; S142-N144 VanDerWaalsContact C-N 3.34Å; S142-N144 PolarHBondContact O-N 3.32Å; N144-N147 PolarHBondContact O-N 2.88Å; N144-Q148 PolarHBondContact ND2-NE2 2.93Å; N144-Q148 WeakPolarHBondContact O-CG 3.36Å; N144-Q148 PolarHBondContact O-N 3.35Å |
| 145 | E | 90.9 | Very high | 86.4 | Confident | 100 Ų | 100 | 81.6 Ų | 81.6 | 47% | 0.467 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 174.1 | -71.4 | 174.8 | -167.1 | 0 | 0 | 111.5 | Q141 S142 Q148 S149 | Q141-E145 WeakPolarHBondContact CG-OE1 3.48Å; Q141-E145 PolarHBondContact NE2-OE1 2.85Å; Q141-E145 WeakPolarHBondContact O-CG 3.43Å; Q141-E145 PolarHBondContact O-N 3.2Å; S142-E145 PolarHBondContact O-N 3.37Å; E145-Q148 PolarHBondContact O-N 3.17Å; E145-S149 PolarHBondContact O-N 3.45Å |
| 146 | L | 90.4 | Very high | 86.8 | Confident | 91 Ų | 91 | 82.1 Ų | 82.1 | 48% | 0.476 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 174.5 | -179.5 | 61 | 0 | 0 | 0 | 111.8 | S142 I143 Q148 S149 I150 | S142-L146 WeakPolarHBondContact O-CB 3.35Å; S142-L146 PolarHBondContact O-N 3.03Å; I143-L146 PolarHBondContact O-N 3.1Å; L146-Q148 VanDerWaalsContact C-N 3.33Å; L146-Q148 PolarHBondContact O-N 2.97Å; L146-S149 WeakPolarHBondContact O-CB 3.48Å; L146-S149 PolarHBondContact O-N 3.06Å; L146-S149 VanDerWaalsContact O-N 3.15Å; L146-I150 HydrophobicContact CD1-CD1 4.29Å; L146-I150 HydrophobicContact CD1-CG1 4.38Å; L146-I150 HydrophobicContact CG-CD1 3.99Å; L146-I150 WeakPolarHBondContact O-CG1 3.45Å; L146-I150 PolarHBondContact O-N 3.4Å |
| 147 | N | 87.4 | Confident | 87.1 | Confident | 54 Ų | 54 | 84.9 Ų | 84.9 | 29% | 0.289 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 177.5 | -78.4 | -22.6 | 0 | 0 | 0 | 112.8 | L88 I143 N144 S149 I150 S151 | L88-N147 VanDerWaalsContact CD2-ND2 3.3Å; L88-N147 WeakPolarHBondContact CD2-ND2 3.47Å; L88-N147 WeakPolarHBondContact CD2-OD1 3.48Å; I143-N147 PolarHBondContact O-N 3.04Å; I143-N147 PolarHBondContact O-ND2 3.32Å; N144-N147 PolarHBondContact O-N 2.88Å; N147-S149 VanDerWaalsContact C-N 3.35Å; N147-I150 PolarHBondContact O-N 2.95Å; N147-S151 WeakPolarHBondContact O-CB 2.97Å; N147-S151 PolarHBondContact O-N 2.83Å |
| 148 | Q | 88.9 | Confident | 87.4 | Confident | 112 Ų | 112 | 88.2 Ų | 88.2 | 52% | 0.523 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 173.8 | -69.9 | 175.4 | 19.6 | 0 | 0 | 111.1 | N144 E145 L146 S151 T152 | N144-Q148 PolarHBondContact ND2-NE2 2.93Å; N144-Q148 WeakPolarHBondContact O-CG 3.36Å; N144-Q148 PolarHBondContact O-N 3.35Å; E145-Q148 PolarHBondContact O-N 3.17Å; L146-Q148 VanDerWaalsContact C-N 3.33Å; L146-Q148 PolarHBondContact O-N 2.97Å; Q148-S151 PolarHBondContact O-N 2.98Å; Q148-T152 WeakPolarHBondContact O-CG2 3.19Å; Q148-T152 PolarHBondContact O-N 2.62Å; Q148-T152 PolarHBondContact O-OG1 2.98Å |
| 149 | S | 89.6 | Confident | 87.4 | Confident | 63 Ų | 63 | 89.4 Ų | 89.4 | 44% | 0.441 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 175.5 | -174 | 0 | 0 | 0 | 0 | 112.1 | E145 L146 N147 S151 T152 T153 | E145-S149 PolarHBondContact O-N 3.45Å; L146-S149 WeakPolarHBondContact O-CB 3.48Å; L146-S149 PolarHBondContact O-N 3.06Å; L146-S149 VanDerWaalsContact O-N 3.15Å; N147-S149 VanDerWaalsContact C-N 3.35Å; S149-S151 PolarHBondContact O-N 3.49Å; S149-T152 PolarHBondContact O-N 3.33Å; S149-T152 PolarHBondContact O-OG1 3.24Å; S149-T153 WeakPolarHBondContact O-CB 3.49Å; S149-T153 PolarHBondContact O-N 3.46Å; S149-T153 PolarHBondContact O-OG1 2.93Å |
| 150 | I | 86.8 | Confident | 87.2 | Confident | 70 Ų | 70 | 91.9 Ų | 91.9 | 36% | 0.359 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.6 | -49.2 | 175.7 | -68.5 | 167.5 | 0 | 0 | 0 | 110.3 | L146 N147 T152 T153 E154 | L146-I150 HydrophobicContact CD1-CD1 4.29Å; L146-I150 HydrophobicContact CD1-CG1 4.38Å; L146-I150 HydrophobicContact CG-CD1 3.99Å; L146-I150 WeakPolarHBondContact O-CG1 3.45Å; L146-I150 PolarHBondContact O-N 3.4Å; N147-I150 PolarHBondContact O-N 2.95Å; I150-T152 VanDerWaalsContact C-N 3.34Å; I150-T152 PolarHBondContact O-N 3.45Å; I150-T153 WeakPolarHBondContact O-CB 3.43Å; I150-T153 PolarHBondContact O-N 3.02Å; I150-T153 VanDerWaalsContact O-N 3.1Å; I150-E154 HydrophobicContact CG2-CG 4.42Å; I150-E154 WeakPolarHBondContact O-CG 3.46Å; I150-E154 PolarHBondContact O-N 3.47Å |
| 151 | S | 84.5 | Confident | 87.2 | Confident | 73 Ų | 73 | 96.2 Ų | 96.2 | 51% | 0.51 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 179.4 | -172.8 | 0 | 0 | 0 | 0 | 112.7 | N147 Q148 S149 K155 | N147-S151 WeakPolarHBondContact O-CB 2.97Å; N147-S151 PolarHBondContact O-N 2.83Å; Q148-S151 PolarHBondContact O-N 2.98Å; S149-S151 PolarHBondContact O-N 3.49Å; S151-K155 PolarHBondContact O-N 3.44Å |
| 152 | T | 88.1 | Confident | 86.9 | Confident | 82 Ų | 82 | 96.4 Ų | 96.4 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 175.4 | 60.9 | 0 | 0 | 0 | 0 | 112.3 | Q148 S149 I150 K155 L156 | Q148-T152 WeakPolarHBondContact O-CG2 3.19Å; Q148-T152 PolarHBondContact O-N 2.62Å; Q148-T152 PolarHBondContact O-OG1 2.98Å; S149-T152 PolarHBondContact O-N 3.33Å; S149-T152 PolarHBondContact O-OG1 3.24Å; I150-T152 VanDerWaalsContact C-N 3.34Å; I150-T152 PolarHBondContact O-N 3.45Å; T152-K155 WeakPolarHBondContact O-CB 3.46Å; T152-K155 PolarHBondContact O-N 3.39Å; T152-L156 WeakPolarHBondContact O-CG 3.5Å; T152-L156 PolarHBondContact O-N 3.33Å |
| 153 | T | 86.3 | Confident | 86.5 | Confident | 72 Ų | 72 | 95.5 Ų | 95.5 | 44% | 0.442 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66 | -43 | 178.2 | -57 | 0 | 0 | 0 | 0 | 111.1 | S149 I150 K155 L156 T157 | S149-T153 WeakPolarHBondContact O-CB 3.49Å; S149-T153 PolarHBondContact O-N 3.46Å; S149-T153 PolarHBondContact O-OG1 2.93Å; I150-T153 WeakPolarHBondContact O-CB 3.43Å; I150-T153 PolarHBondContact O-N 3.02Å; I150-T153 VanDerWaalsContact O-N 3.1Å; T153-K155 VanDerWaalsContact C-N 3.3Å; T153-K155 PolarHBondContact O-N 2.95Å; T153-L156 PolarHBondContact O-N 2.72Å; T153-T157 PolarHBondContact O-N 2.91Å; T153-T157 PolarHBondContact O-OG1 3.06Å |
| 154 | E | 87 | Confident | 86 | Confident | 107 Ų | 107 | 95 Ų | 95 | 50% | 0.5 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 175.1 | -72.4 | -174.4 | 162.6 | 0 | 0 | 112.6 | I150 T157 K158 | I150-E154 HydrophobicContact CG2-CG 4.42Å; I150-E154 WeakPolarHBondContact O-CG 3.46Å; I150-E154 PolarHBondContact O-N 3.47Å; E154-T157 PolarHBondContact O-N 3.45Å; E154-K158 WeakPolarHBondContact O-CG 3.34Å; E154-K158 PolarHBondContact O-N 3.49Å |
| 155 | K | 88.1 | Confident | 85.5 | Confident | 133 Ų | 133 | 95.7 Ų | 95.7 | 58% | 0.578 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.6 | -47 | 174.9 | -174.3 | -176.3 | 173.9 | -170.6 | 0 | 111.1 | S151 T152 T153 T157 K158 E159 | S151-K155 PolarHBondContact O-N 3.44Å; T152-K155 WeakPolarHBondContact O-CB 3.46Å; T152-K155 PolarHBondContact O-N 3.39Å; T153-K155 VanDerWaalsContact C-N 3.3Å; T153-K155 PolarHBondContact O-N 2.95Å; K155-T157 VanDerWaalsContact C-N 3.32Å; K155-T157 PolarHBondContact O-N 3.05Å; K155-K158 PolarHBondContact O-N 3.48Å; K155-E159 VanDerWaalsContact CE-OE1 3.24Å; K155-E159 WeakPolarHBondContact CE-OE1 3.24Å; K155-E159 WeakPolarHBondContact O-CG 3.43Å; K155-E159 PolarHBondContact O-N 3.33Å |
| 156 | L | 87.5 | Confident | 84.7 | Confident | 108 Ų | 108 | 96.3 Ų | 96.3 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.6 | -38.2 | 176.7 | -72.2 | 172.1 | 0 | 0 | 0 | 112 | T152 T153 E159 R160 | T152-L156 WeakPolarHBondContact O-CG 3.5Å; T152-L156 PolarHBondContact O-N 3.33Å; T153-L156 PolarHBondContact O-N 2.72Å; L156-E159 PolarHBondContact O-N 3.31Å; L156-R160 WeakPolarHBondContact O-CB 3.35Å; L156-R160 PolarHBondContact O-N 3.2Å |
| 157 | T | 84.7 | Confident | 84 | Confident | 89 Ų | 89 | 97.3 Ų | 97.3 | 55% | 0.546 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 175.1 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | T153 E154 K155 R160 R161 | T153-T157 PolarHBondContact O-N 2.91Å; T153-T157 PolarHBondContact O-OG1 3.06Å; E154-T157 PolarHBondContact O-N 3.45Å; K155-T157 VanDerWaalsContact C-N 3.32Å; K155-T157 PolarHBondContact O-N 3.05Å; T157-R160 PolarHBondContact O-N 3.15Å; T157-R161 WeakPolarHBondContact O-CB 3.43Å; T157-R161 PolarHBondContact O-N 3.13Å |
| 158 | K | 86.8 | Confident | 83.4 | Confident | 141 Ų | 141 | 98.6 Ų | 98.6 | 61% | 0.613 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.9 | -44.9 | 173.9 | -72.5 | 172.3 | -177 | 168.8 | 0 | 112 | E154 K155 R161 L162 | E154-K158 WeakPolarHBondContact O-CG 3.34Å; E154-K158 PolarHBondContact O-N 3.49Å; K155-K158 PolarHBondContact O-N 3.48Å; K158-R161 PolarHBondContact O-N 3.39Å; K158-L162 WeakPolarHBondContact O-CG 3.47Å; K158-L162 PolarHBondContact O-N 3.46Å |
| 159 | E | 85.4 | Confident | 82.5 | Confident | 96 Ų | 96 | 100.7 Ų | 100.7 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 176.1 | -72.7 | 177.4 | -172.9 | 0 | 0 | 111.7 | K155 L156 R161 L162 A163 | K155-E159 VanDerWaalsContact CE-OE1 3.24Å; K155-E159 WeakPolarHBondContact CE-OE1 3.24Å; K155-E159 WeakPolarHBondContact O-CG 3.43Å; K155-E159 PolarHBondContact O-N 3.33Å; L156-E159 PolarHBondContact O-N 3.31Å; E159-R161 PolarHBondContact O-N 3.19Å; E159-L162 PolarHBondContact O-N 3.16Å; E159-A163 WeakPolarHBondContact O-CB 3.47Å; E159-A163 PolarHBondContact O-N 3.15Å |
| 160 | R | 82.9 | Confident | 81.5 | Confident | 152 Ų | 152 | 106.2 Ų | 106.2 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.5 | -46.4 | 174.5 | -177.9 | -178.5 | 178 | -165 | -1.6 | 111.4 | L156 T157 L162 A163 I164 | L156-R160 WeakPolarHBondContact O-CB 3.35Å; L156-R160 PolarHBondContact O-N 3.2Å; T157-R160 PolarHBondContact O-N 3.15Å; R160-L162 PolarHBondContact O-N 3.33Å; R160-A163 PolarHBondContact O-N 3Å; R160-I164 HydrophobicContact CG-CD1 3.97Å; R160-I164 WeakPolarHBondContact O-CG1 3.33Å; R160-I164 PolarHBondContact O-N 3.33Å |
| 161 | R | 84.8 | Confident | 80.5 | Confident | 160 Ų | 160 | 106.4 Ų | 106.4 | 60% | 0.604 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.1 | -44.4 | 177.8 | -177.7 | 176.7 | 172.6 | 149.4 | 0.7 | 111.9 | T157 K158 E159 I164 Q165 | T157-R161 WeakPolarHBondContact O-CB 3.43Å; T157-R161 PolarHBondContact O-N 3.13Å; K158-R161 PolarHBondContact O-N 3.39Å; E159-R161 PolarHBondContact O-N 3.19Å; R161-I164 PolarHBondContact O-N 3.5Å; R161-Q165 WeakPolarHBondContact O-CG 3.34Å; R161-Q165 PolarHBondContact O-N 2.93Å |
| 162 | L | 83.4 | Confident | 79.6 | Confident | 112 Ų | 112 | 106.6 Ų | 106.6 | 59% | 0.586 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.8 | -41.3 | 176.1 | -72.1 | 172 | 0 | 0 | 0 | 112.1 | K158 E159 R160 Q165 F166 | K158-L162 WeakPolarHBondContact O-CG 3.47Å; K158-L162 PolarHBondContact O-N 3.46Å; E159-L162 PolarHBondContact O-N 3.16Å; R160-L162 PolarHBondContact O-N 3.33Å; L162-Q165 PolarHBondContact O-N 3.38Å; L162-F166 WeakPolarHBondContact O-CB 3.44Å; L162-F166 PolarHBondContact O-N 2.94Å |
| 163 | A | 78.3 | Confident | 78.4 | Confident | 52 Ų | 52 | 104.4 Ų | 104.4 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | E159 R160 F166 L167 | E159-A163 WeakPolarHBondContact O-CB 3.47Å; E159-A163 PolarHBondContact O-N 3.15Å; R160-A163 PolarHBondContact O-N 3Å; A163-F166 PolarHBondContact O-N 2.93Å; A163-L167 WeakPolarHBondContact O-CG 2.83Å; A163-L167 PolarHBondContact O-N 3.26Å |
| 164 | I | 78.4 | Confident | 77.7 | Confident | 42 Ų | 42 | 104.9 Ų | 104.9 | 22% | 0.215 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 175 | -68.5 | 167.5 | 0 | 0 | 0 | 110.6 | R160 R161 F166 L167 K168 | R160-I164 HydrophobicContact CG-CD1 3.97Å; R160-I164 WeakPolarHBondContact O-CG1 3.33Å; R160-I164 PolarHBondContact O-N 3.33Å; R161-I164 PolarHBondContact O-N 3.5Å; I164-F166 VanDerWaalsContact C-N 3.32Å; I164-F166 PolarHBondContact O-N 2.8Å; I164-L167 PolarHBondContact O-N 3.22Å; I164-K168 HydrophobicContact CG2-CD 4.17Å; I164-K168 HydrophobicContact CG2-CG 4.33Å; I164-K168 WeakPolarHBondContact O-CB 3.35Å; I164-K168 WeakPolarHBondContact O-CG 3.48Å; I164-K168 PolarHBondContact O-N 3.43Å |
| 165 | Q | 76.1 | Confident | 76.9 | Confident | 100 Ų | 100 | 106.6 Ų | 106.6 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 176.5 | -75.4 | -173.9 | -5.3 | 0 | 0 | 112.2 | R161 L162 L167 K168 H169 | R161-Q165 WeakPolarHBondContact O-CG 3.34Å; R161-Q165 PolarHBondContact O-N 2.93Å; L162-Q165 PolarHBondContact O-N 3.38Å; Q165-L167 VanDerWaalsContact C-N 3.35Å; Q165-K168 PolarHBondContact O-N 3.33Å; Q165-H169 WeakPolarHBondContact O-CB 3.5Å; Q165-H169 PolarHBondContact O-N 3.35Å |
| 166 | F | 74.5 | Confident | 76.1 | Confident | 113 Ų | 113 | 103.4 Ų | 103.4 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 175.2 | -178 | -98.4 | 0 | 0 | 0 | 112.1 | L162 A163 I164 R170 | L162-F166 WeakPolarHBondContact O-CB 3.44Å; L162-F166 PolarHBondContact O-N 2.94Å; A163-F166 PolarHBondContact O-N 2.93Å; I164-F166 VanDerWaalsContact C-N 3.32Å; I164-F166 PolarHBondContact O-N 2.8Å; F166-R170 HydrophobicContact CE1-CG 4.26Å; F166-R170 HydrophobicContact CZ-CG 4.36Å; F166-R170 WeakPolarHBondContact O-CB 3.4Å; F166-R170 PolarHBondContact O-N 3.47Å |
| 167 | L | 74.2 | Confident | 75.4 | Confident | 112 Ų | 112 | 98.8 Ų | 98.8 | 59% | 0.586 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.3 | -43.4 | 174.7 | -72.3 | 171.5 | 0 | 0 | 0 | 111.6 | A163 I164 Q165 H169 R170 A171 | A163-L167 WeakPolarHBondContact O-CG 2.83Å; A163-L167 PolarHBondContact O-N 3.26Å; I164-L167 PolarHBondContact O-N 3.22Å; Q165-L167 VanDerWaalsContact C-N 3.35Å; L167-H169 PolarHBondContact O-N 2.92Å; L167-R170 PolarHBondContact O-N 3.02Å; L167-A171 WeakPolarHBondContact O-CB 3.46Å; L167-A171 PolarHBondContact O-N 3.08Å |
| 168 | K | 75.1 | Confident | 75 | Confident | 82 Ų | 82 | 97.3 Ų | 97.3 | 36% | 0.357 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 174.7 | -74.9 | -176.8 | 176.5 | -177.4 | 0 | 111.2 | I164 Q165 R170 A171 D172 D231 | I164-K168 HydrophobicContact CG2-CD 4.17Å; I164-K168 HydrophobicContact CG2-CG 4.33Å; I164-K168 WeakPolarHBondContact O-CB 3.35Å; I164-K168 WeakPolarHBondContact O-CG 3.48Å; I164-K168 PolarHBondContact O-N 3.43Å; Q165-K168 PolarHBondContact O-N 3.33Å; K168-R170 VanDerWaalsContact C-N 3.34Å; K168-R170 PolarHBondContact O-N 3.32Å; K168-A171 CarbonylContact O-C 3.51Å; K168-A171 PolarHBondContact O-N 2.91Å; K168-D172 PolarHBondContact O-N 3.39Å; K168-D231 IonicContact NZ-OD2 3.27Å |
| 169 | H | 70.6 | Confident | 74.4 | Confident | 156 Ų | 156 | 92.5 Ų | 92.5 | 72% | 0.722 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.7 | -35 | 176.2 | -174.9 | -59.8 | 0 | 0 | 0 | 112.6 | Q165 L167 | Q165-H169 WeakPolarHBondContact O-CB 3.5Å; Q165-H169 PolarHBondContact O-N 3.35Å; L167-H169 PolarHBondContact O-N 2.92Å |
| 170 | R | 67.5 | Low | 74 | Confident | 178 Ų | 178 | 88.9 Ų | 88.9 | 67% | 0.672 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -76.3 | -32.6 | 175 | -84.2 | -167.1 | 167.6 | -172.3 | -1.1 | 113.4 | F166 L167 K168 | F166-R170 HydrophobicContact CE1-CG 4.26Å; F166-R170 HydrophobicContact CZ-CG 4.36Å; F166-R170 WeakPolarHBondContact O-CB 3.4Å; F166-R170 PolarHBondContact O-N 3.47Å; L167-R170 PolarHBondContact O-N 3.02Å; K168-R170 VanDerWaalsContact C-N 3.34Å; K168-R170 PolarHBondContact O-N 3.32Å |
| 171 | A | 65.6 | Low | 73.8 | Confident | 74 Ų | 74 | 87.5 Ų | 87.5 | 61% | 0.612 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -84.1 | 1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L167 K168 S173 | L167-A171 WeakPolarHBondContact O-CB 3.46Å; L167-A171 PolarHBondContact O-N 3.08Å; K168-A171 CarbonylContact O-C 3.51Å; K168-A171 PolarHBondContact O-N 2.91Å; A171-S173 PolarHBondContact O-N 3.23Å |
| 172 | D | 67.1 | Low | 73.6 | Confident | 78 Ų | 78 | 85.3 Ų | 85.3 | 42% | 0.417 | 44% | 0.444 | S | S | . | . | trans | -62.8 | 85.7 | 172.4 | -166.6 | -9.8 | 0 | 0 | 0 | 109.1 | K168 D174 H175 | K168-D172 PolarHBondContact O-N 3.39Å; D172-D174 PolarHBondContact O-N 2.87Å; D172-D174 WeakPolarHBondContact OD1-CB 3.5Å; D172-D174 PolarHBondContact OD1-N 3.36Å; D172-H175 PolarHBondContact O-N 3.26Å | ||
| 173 | S | 63.2 | Low | 73.5 | Confident | 35 Ų | 35 | 84 Ų | 84 | 25% | 0.245 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.9 | -21.8 | -177.6 | 56.3 | 0 | 0 | 0 | 0 | 111.2 | A171 V176 G177 | A171-S173 PolarHBondContact O-N 3.23Å; S173-V176 PolarHBondContact O-N 3.42Å; S173-G177 WeakPolarHBondContact O-CA 3.3Å; S173-G177 PolarHBondContact O-N 2.77Å |
| 174 | D | 70.2 | Confident | 73.4 | Confident | 83 Ų | 83 | 84 Ų | 84 | 44% | 0.444 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -70.9 | -38.2 | -179 | -66.7 | -5 | 0 | 0 | 0 | 110.1 | D172 S178 R216 | D172-D174 PolarHBondContact O-N 2.87Å; D172-D174 WeakPolarHBondContact OD1-CB 3.5Å; D172-D174 PolarHBondContact OD1-N 3.36Å; D174-S178 VanDerWaalsContact O-CB 3.24Å; D174-S178 WeakPolarHBondContact O-CB 3.38Å; D174-S178 PolarHBondContact O-N 3.38Å; D174-R216 IonicContact OD1-CZ 3.17Å; D174-R216 IonicContact OD1-NE 3.97Å; D174-R216 PolarHBondContact OD1-NE 3Å; D174-R216 IonicContact OD1-NH2 2.82Å; D174-R216 PolarHBondContact OD1-NH2 3.34Å; D174-R216 IonicContact OD2-NH2 3.37Å; D174-R216 PolarHBondContact OD2-NH2 3.4Å |
| 175 | H | 70.4 | Confident | 73.6 | Confident | 142 Ų | 142 | 87.2 Ų | 87.2 | 66% | 0.657 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -67.4 | -45.3 | 174.2 | -170.6 | 63.5 | 0 | 0 | 0 | 111.8 | D172 S178 A179 | D172-H175 PolarHBondContact O-N 3.26Å; H175-S178 PolarHBondContact O-N 3.24Å; H175-A179 WeakPolarHBondContact O-CB 3.42Å; H175-A179 PolarHBondContact O-N 3.3Å |
| 176 | V | 70.6 | Confident | 73.9 | Confident | 67 Ų | 67 | 86.9 Ų | 86.9 | 41% | 0.406 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 178.7 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | S173 A179 L180 V212 | S173-V176 PolarHBondContact O-N 3.42Å; V176-A179 PolarHBondContact O-N 2.77Å; V176-L180 HydrophobicContact CG1-CD1 4.02Å; V176-L180 HydrophobicContact CG1-CG 4.48Å; V176-L180 WeakPolarHBondContact O-CB 3.46Å; V176-L180 WeakPolarHBondContact O-CG 3.4Å; V176-L180 PolarHBondContact O-N 3.2Å; V176-V212 HydrophobicContact CG1-CG2 4.19Å |
| 177 | G | 72.9 | Confident | 74 | Confident | 10 Ų | 10 | 81.7 Ų | 81.7 | 10% | 0.103 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65 | -40.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S173 L180 K181 Q209 | S173-G177 WeakPolarHBondContact O-CA 3.3Å; S173-G177 PolarHBondContact O-N 2.77Å; G177-L180 PolarHBondContact O-N 2.98Å; G177-K181 VanDerWaalsContact O-CB 3.32Å; G177-K181 WeakPolarHBondContact O-CB 3.35Å; G177-K181 PolarHBondContact O-N 3.49Å; G177-Q209 PolarHBondContact O-OE1 3.22Å |
| 178 | S | 76.6 | Confident | 74.1 | Confident | 58 Ų | 58 | 78.4 Ų | 78.4 | 41% | 0.406 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 174.5 | -166.7 | 0 | 0 | 0 | 0 | 111.4 | D174 H175 L180 K181 E182 | D174-S178 VanDerWaalsContact O-CB 3.24Å; D174-S178 WeakPolarHBondContact O-CB 3.38Å; D174-S178 PolarHBondContact O-N 3.38Å; H175-S178 PolarHBondContact O-N 3.24Å; S178-L180 PolarHBondContact O-N 3.43Å; S178-K181 PolarHBondContact O-N 2.88Å; S178-E182 WeakPolarHBondContact O-CG 3.15Å; S178-E182 PolarHBondContact O-N 3.35Å |
| 179 | A | 75.3 | Confident | 74.4 | Confident | 40 Ų | 40 | 79.2 Ų | 79.2 | 33% | 0.331 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H175 V176 L183 | H175-A179 WeakPolarHBondContact O-CB 3.42Å; H175-A179 PolarHBondContact O-N 3.3Å; V176-A179 PolarHBondContact O-N 2.77Å; A179-L183 WeakPolarHBondContact O-CB 3.41Å; A179-L183 WeakPolarHBondContact O-CG 3.2Å; A179-L183 PolarHBondContact O-N 2.9Å |
| 180 | L | 77 | Confident | 74.8 | Confident | 20 Ų | 20 | 75.1 Ų | 75.1 | 11% | 0.105 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 175.8 | -76.5 | 173.6 | 0 | 0 | 0 | 112 | V176 G177 S178 L183 H184 L205 M208 V212 | V176-L180 HydrophobicContact CG1-CD1 4.02Å; V176-L180 HydrophobicContact CG1-CG 4.48Å; V176-L180 WeakPolarHBondContact O-CB 3.46Å; V176-L180 WeakPolarHBondContact O-CG 3.4Å; V176-L180 PolarHBondContact O-N 3.2Å; G177-L180 PolarHBondContact O-N 2.98Å; S178-L180 PolarHBondContact O-N 3.43Å; L180-L183 PolarHBondContact O-N 2.92Å; L180-H184 WeakPolarHBondContact O-CB 3.41Å; L180-H184 PolarHBondContact O-N 3.46Å; L180-L205 HydrophobicContact CD2-CD2 3.94Å; L180-M208 HydrophobicContact CD1-CB 4.15Å; L180-M208 HydrophobicContact CD2-CB 4.1Å; L180-M208 HydrophobicContact CD2-CE 3.94Å; L180-V212 HydrophobicContact CD1-CB 4.46Å; L180-V212 HydrophobicContact CD1-CG2 3.75Å |
| 181 | K | 77.5 | Confident | 75.2 | Confident | 123 Ų | 123 | 70.8 Ų | 70.8 | 54% | 0.535 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 175 | -174.9 | -176.9 | 174.5 | -170.4 | 0 | 112 | G177 S178 L183 H184 E185 | G177-K181 VanDerWaalsContact O-CB 3.32Å; G177-K181 WeakPolarHBondContact O-CB 3.35Å; G177-K181 PolarHBondContact O-N 3.49Å; S178-K181 PolarHBondContact O-N 2.88Å; K181-L183 PolarHBondContact O-N 3.24Å; K181-H184 WeakPolarHBondContact O-CB 3.28Å; K181-H184 PolarHBondContact O-N 3.44Å; K181-E185 VanDerWaalsContact CE-OE1 3.3Å; K181-E185 WeakPolarHBondContact CE-OE1 3.45Å; K181-E185 WeakPolarHBondContact O-CG 3.49Å; K181-E185 PolarHBondContact O-N 3.45Å |
| 182 | E | 81.3 | Confident | 76 | Confident | 115 Ų | 115 | 71.5 Ų | 71.5 | 54% | 0.537 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 175.9 | -74.2 | 175.6 | -158.1 | 0 | 0 | 111.5 | S178 H184 E185 I186 | S178-E182 WeakPolarHBondContact O-CG 3.15Å; S178-E182 PolarHBondContact O-N 3.35Å; E182-H184 VanDerWaalsContact C-N 3.31Å; E182-H184 PolarHBondContact O-N 2.97Å; E182-E185 PolarHBondContact O-N 3.36Å; E182-I186 VanDerWaalsContact O-CG1 3.31Å; E182-I186 WeakPolarHBondContact O-CG1 3.41Å; E182-I186 PolarHBondContact O-N 3.04Å |
| 183 | L | 80.9 | Confident | 76.7 | Confident | 85 Ų | 85 | 75.1 Ų | 75.1 | 45% | 0.445 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62 | -38.8 | 175 | -76.9 | 168.4 | 0 | 0 | 0 | 112.1 | A179 L180 K181 I186 G187 L205 | A179-L183 WeakPolarHBondContact O-CB 3.41Å; A179-L183 WeakPolarHBondContact O-CG 3.2Å; A179-L183 PolarHBondContact O-N 2.9Å; L180-L183 PolarHBondContact O-N 2.92Å; K181-L183 PolarHBondContact O-N 3.24Å; L183-I186 PolarHBondContact O-N 2.96Å; L183-G187 PolarHBondContact O-N 2.87Å; L183-L205 HydrophobicContact CB-CD1 3.95Å; L183-L205 HydrophobicContact CB-CD2 3.78Å; L183-L205 HydrophobicContact CD1-CD2 4.11Å |
| 184 | H | 77.4 | Confident | 77.4 | Confident | 52 Ų | 52 | 76 Ų | 76 | 24% | 0.241 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 175.3 | 174.8 | -83.6 | 0 | 0 | 0 | 111.8 | L180 K181 E182 G187 S188 H202 | L180-H184 WeakPolarHBondContact O-CB 3.41Å; L180-H184 PolarHBondContact O-N 3.46Å; K181-H184 WeakPolarHBondContact O-CB 3.28Å; K181-H184 PolarHBondContact O-N 3.44Å; E182-H184 VanDerWaalsContact C-N 3.31Å; E182-H184 PolarHBondContact O-N 2.97Å; H184-G187 PolarHBondContact O-N 2.68Å; H184-S188 WeakPolarHBondContact O-CB 3.37Å; H184-S188 PolarHBondContact O-N 3.25Å; H184-S188 PolarHBondContact O-OG 3.02Å; H184-H202 AromaticContact CD2-NE2 3.99Å; H184-H202 AromaticContact NE2-CD2 3.96Å; H184-H202 AromaticContact NE2-CE1 3.85Å; H184-H202 AromaticContact NE2-NE2 3.34Å; H184-H202 PolarHBondContact NE2-NE2 3.29Å |
| 185 | E | 82.6 | Confident | 77.5 | Confident | 109 Ų | 109 | 75 Ų | 75 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 174.2 | -72.3 | 176.1 | -167.5 | 0 | 0 | 111.5 | K181 E182 S188 L189 | K181-E185 VanDerWaalsContact CE-OE1 3.3Å; K181-E185 WeakPolarHBondContact CE-OE1 3.45Å; K181-E185 WeakPolarHBondContact O-CG 3.49Å; K181-E185 PolarHBondContact O-N 3.45Å; E182-E185 PolarHBondContact O-N 3.36Å; E185-S188 PolarHBondContact O-N 2.83Å; E185-L189 WeakPolarHBondContact O-CB 3.48Å; E185-L189 PolarHBondContact O-N 2.99Å |
| 186 | I | 80.9 | Confident | 77.2 | Confident | 93 Ų | 93 | 73.8 Ų | 73.8 | 48% | 0.477 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 173.8 | -66.4 | 164.7 | 0 | 0 | 0 | 110.8 | E182 L183 S188 L189 L190 | E182-I186 VanDerWaalsContact O-CG1 3.31Å; E182-I186 WeakPolarHBondContact O-CG1 3.41Å; E182-I186 PolarHBondContact O-N 3.04Å; L183-I186 PolarHBondContact O-N 2.96Å; I186-S188 VanDerWaalsContact C-N 3.35Å; I186-S188 PolarHBondContact O-N 3.01Å; I186-L189 PolarHBondContact O-N 3.26Å; I186-L190 HydrophobicContact CG2-CD1 4.04Å; I186-L190 HydrophobicContact CG2-CG 4.4Å; I186-L190 WeakPolarHBondContact O-CG 3.39Å; I186-L190 PolarHBondContact O-N 3.38Å |
| 187 | G | 76.7 | Confident | 76.9 | Confident | 3 Ų | 3 | 77.2 Ų | 77.2 | 3% | 0.031 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.9 | -43 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L183 H184 L190 K191 V198 | L183-G187 PolarHBondContact O-N 2.87Å; H184-G187 PolarHBondContact O-N 2.68Å; G187-L190 PolarHBondContact O-N 3.03Å; G187-K191 WeakPolarHBondContact O-CB 3.46Å; G187-K191 PolarHBondContact O-N 2.98Å; G187-V198 WeakPolarHBondContact O-CG1 3.44Å |
| 188 | S | 77.4 | Confident | 76.3 | Confident | 44 Ų | 44 | 77.2 Ų | 77.2 | 31% | 0.308 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 175.5 | -62.7 | 0 | 0 | 0 | 0 | 112 | H184 E185 I186 K191 S192 | H184-S188 WeakPolarHBondContact O-CB 3.37Å; H184-S188 PolarHBondContact O-N 3.25Å; H184-S188 PolarHBondContact O-OG 3.02Å; E185-S188 PolarHBondContact O-N 2.83Å; I186-S188 VanDerWaalsContact C-N 3.35Å; I186-S188 PolarHBondContact O-N 3.01Å; S188-K191 WeakPolarHBondContact O-CB 3.44Å; S188-K191 PolarHBondContact O-N 3.39Å; S188-S192 PolarHBondContact O-N 3.4Å |
| 189 | L | 81.9 | Confident | 75.4 | Confident | 98 Ų | 98 | 78.6 Ų | 78.6 | 51% | 0.513 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.5 | -47.4 | 177.5 | -174.6 | 66.8 | 0 | 0 | 0 | 111.4 | E185 I186 K191 S192 F193 | E185-L189 WeakPolarHBondContact O-CB 3.48Å; E185-L189 PolarHBondContact O-N 2.99Å; I186-L189 PolarHBondContact O-N 3.26Å; L189-K191 VanDerWaalsContact C-N 3.3Å; L189-K191 PolarHBondContact O-N 2.86Å; L189-S192 WeakPolarHBondContact O-CB 3.4Å; L189-S192 PolarHBondContact O-N 3.19Å; L189-S192 PolarHBondContact O-OG 2.9Å; L189-F193 HydrophobicContact CD1-CD2 4.32Å; L189-F193 HydrophobicContact CD1-CE2 3.68Å; L189-F193 HydrophobicContact CD1-CZ 4.4Å; L189-F193 HydrophobicContact CD2-CE2 4.16Å; L189-F193 HydrophobicContact CG-CD2 4.02Å; L189-F193 HydrophobicContact CG-CE2 3.62Å; L189-F193 WeakPolarHBondContact O-CD2 3.5Å; L189-F193 PolarHBondContact O-N 3.07Å; L189-F193 VanDerWaalsContact O-N 3.1Å |
| 190 | L | 78.3 | Confident | 74.7 | Confident | 70 Ų | 70 | 82.2 Ų | 82.2 | 37% | 0.366 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.9 | -36.9 | 176.8 | -67.9 | 170.8 | 0 | 0 | 0 | 112.1 | I186 G187 S192 F193 G194 V195 V198 | I186-L190 HydrophobicContact CG2-CD1 4.04Å; I186-L190 HydrophobicContact CG2-CG 4.4Å; I186-L190 WeakPolarHBondContact O-CG 3.39Å; I186-L190 PolarHBondContact O-N 3.38Å; G187-L190 PolarHBondContact O-N 3.03Å; L190-S192 VanDerWaalsContact C-N 3.31Å; L190-S192 PolarHBondContact O-N 3.4Å; L190-F193 PolarHBondContact O-N 3.46Å; L190-G194 PolarHBondContact O-N 2.86Å; L190-V195 HydrophobicContact CB-CB 4.2Å; L190-V195 HydrophobicContact CB-CG2 4.21Å; L190-V195 HydrophobicContact CD2-CG2 4.19Å; L190-V195 WeakPolarHBondContact O-CB 3.25Å; L190-V195 WeakPolarHBondContact O-CG2 3.33Å; L190-V195 PolarHBondContact O-N 3.32Å; L190-V198 HydrophobicContact CB-CB 4.42Å; L190-V198 HydrophobicContact CB-CG1 4.17Å; L190-V198 HydrophobicContact CB-CG2 3.77Å; L190-V198 HydrophobicContact CD1-CG2 4.02Å |
| 191 | K | 76.5 | Confident | 74.2 | Confident | 88 Ų | 88 | 83.5 Ų | 83.5 | 38% | 0.383 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.3 | -40.2 | 171.9 | 174.8 | 162.7 | -178.3 | 168.7 | 0 | 111.6 | G187 S188 L189 F193 G194 H199 | G187-K191 WeakPolarHBondContact O-CB 3.46Å; G187-K191 PolarHBondContact O-N 2.98Å; S188-K191 WeakPolarHBondContact O-CB 3.44Å; S188-K191 PolarHBondContact O-N 3.39Å; L189-K191 VanDerWaalsContact C-N 3.3Å; L189-K191 PolarHBondContact O-N 2.86Å; K191-F193 VanDerWaalsContact C-N 3.31Å; K191-F193 PolarHBondContact O-N 2.97Å; K191-G194 PolarHBondContact O-N 2.76Å; K191-G194 VanDerWaalsContact O-N 3.14Å; K191-H199 WeakPolarHBondContact CD-CE1 3.46Å; K191-H199 WeakPolarHBondContact CE-CE1 3.43Å; K191-H199 WeakPolarHBondContact CE-NE2 3.43Å |
| 192 | S | 81.6 | Confident | 73.8 | Confident | 89 Ų | 89 | 79 Ų | 79 | 62% | 0.622 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.9 | -28.7 | 175.9 | 80.6 | 0 | 0 | 0 | 0 | 113.7 | S188 L189 L190 G194 | S188-S192 PolarHBondContact O-N 3.4Å; L189-S192 WeakPolarHBondContact O-CB 3.4Å; L189-S192 PolarHBondContact O-N 3.19Å; L189-S192 PolarHBondContact O-OG 2.9Å; L190-S192 VanDerWaalsContact C-N 3.31Å; L190-S192 PolarHBondContact O-N 3.4Å; S192-G194 PolarHBondContact O-N 3.49Å |
| 193 | F | 82.2 | Confident | 73.4 | Confident | 154 Ų | 154 | 78.3 Ų | 78.3 | 68% | 0.675 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 2.9 | 173 | -73.7 | -63.1 | 0 | 0 | 0 | 114 | L189 L190 K191 | L189-F193 HydrophobicContact CD1-CD2 4.32Å; L189-F193 HydrophobicContact CD1-CE2 3.68Å; L189-F193 HydrophobicContact CD1-CZ 4.4Å; L189-F193 HydrophobicContact CD2-CE2 4.16Å; L189-F193 HydrophobicContact CG-CD2 4.02Å; L189-F193 HydrophobicContact CG-CE2 3.62Å; L189-F193 WeakPolarHBondContact O-CD2 3.5Å; L189-F193 PolarHBondContact O-N 3.07Å; L189-F193 VanDerWaalsContact O-N 3.1Å; L190-F193 PolarHBondContact O-N 3.46Å; K191-F193 VanDerWaalsContact C-N 3.31Å; K191-F193 PolarHBondContact O-N 2.97Å |
| 194 | G | 77.1 | Confident | 73.2 | Confident | 54 Ų | 54 | 81.1 Ų | 81.1 | 56% | 0.557 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 16.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L190 K191 S192 T196 | L190-G194 PolarHBondContact O-N 2.86Å; K191-G194 PolarHBondContact O-N 2.76Å; K191-G194 VanDerWaalsContact O-N 3.14Å; S192-G194 PolarHBondContact O-N 3.49Å; G194-T196 PolarHBondContact O-N 3.17Å; G194-T196 VanDerWaalsContact O-N 3.16Å |
| 195 | V | 71.7 | Confident | 73.3 | Confident | 62 Ų | 62 | 79.5 Ų | 79.5 | 38% | 0.376 | 43% | 0.434 | S | S | . | . | trans | -73.2 | 106.6 | 174 | -170.6 | 0 | 0 | 0 | 0 | 109 | L190 V198 | L190-V195 HydrophobicContact CB-CB 4.2Å; L190-V195 HydrophobicContact CB-CG2 4.21Å; L190-V195 HydrophobicContact CD2-CG2 4.19Å; L190-V195 WeakPolarHBondContact O-CB 3.25Å; L190-V195 WeakPolarHBondContact O-CG2 3.33Å; L190-V195 PolarHBondContact O-N 3.32Å; V195-V198 HydrophobicContact CB-CG2 3.88Å; V195-V198 HydrophobicContact CG1-CG2 3.59Å | ||
| 196 | T | 64.3 | Low | 73.2 | Confident | 116 Ų | 116 | 79.2 Ų | 79.2 | 71% | 0.712 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -77.4 | -24.7 | -170 | 50.9 | 0 | 0 | 0 | 0 | 114.3 | G194 V198 | G194-T196 PolarHBondContact O-N 3.17Å; G194-T196 VanDerWaalsContact O-N 3.16Å; T196-V198 PolarHBondContact O-N 3.19Å |
| 197 | N | 64.4 | Low | 73.3 | Confident | 138 Ų | 138 | 78.6 Ų | 78.6 | 74% | 0.738 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -76.1 | 2.3 | 178.1 | -78.8 | 0.8 | 0 | 0 | 0 | 114.3 | T200 | N197-T200 PolarHBondContact O-OG1 3.37Š|
| 198 | V | 60.7 | Low | 73.4 | Confident | 11 Ų | 11 | 80.5 Ų | 80.5 | 7% | 0.067 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -91.9 | -12.4 | -176.7 | -179 | 0 | 0 | 0 | 0 | 112.5 | G187 L190 V195 T196 T200 S201 H202 | G187-V198 WeakPolarHBondContact O-CG1 3.44Å; L190-V198 HydrophobicContact CB-CB 4.42Å; L190-V198 HydrophobicContact CB-CG1 4.17Å; L190-V198 HydrophobicContact CB-CG2 3.77Å; L190-V198 HydrophobicContact CD1-CG2 4.02Å; V195-V198 HydrophobicContact CB-CG2 3.88Å; V195-V198 HydrophobicContact CG1-CG2 3.59Å; T196-V198 PolarHBondContact O-N 3.19Å; V198-T200 VanDerWaalsContact C-N 3.33Å; V198-T200 PolarHBondContact O-N 3.16Å; V198-S201 WeakPolarHBondContact CA-OG 3.32Å; V198-S201 PolarHBondContact O-N 2.82Å; V198-S201 PolarHBondContact O-OG 3.08Å; V198-H202 WeakPolarHBondContact O-CB 3.22Å; V198-H202 PolarHBondContact O-N 2.96Å |
| 199 | H | 58.9 | Low | 73.6 | Confident | 87 Ų | 87 | 79.8 Ų | 79.8 | 40% | 0.403 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.8 | -38.7 | -179.2 | -76.8 | 27 | 0 | 0 | 0 | 112.5 | K191 S201 H202 D203 | K191-H199 WeakPolarHBondContact CD-CE1 3.46Å; K191-H199 WeakPolarHBondContact CE-CE1 3.43Å; K191-H199 WeakPolarHBondContact CE-NE2 3.43Å; H199-S201 VanDerWaalsContact C-N 3.34Å; H199-S201 PolarHBondContact O-N 3.42Å; H199-H202 PolarHBondContact O-N 3.46Å; H199-D203 PolarHBondContact O-N 3.41Å |
| 200 | T | 60.7 | Low | 73.7 | Confident | 116 Ų | 116 | 79.3 Ų | 79.3 | 71% | 0.712 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -68.6 | -32.5 | 176.6 | 47.9 | 0 | 0 | 0 | 0 | 112.5 | N197 V198 Y204 | N197-T200 PolarHBondContact O-OG1 3.37Å; V198-T200 VanDerWaalsContact C-N 3.33Å; V198-T200 PolarHBondContact O-N 3.16Å; T200-Y204 VanDerWaalsContact O-CB 3.22Å; T200-Y204 WeakPolarHBondContact O-CB 3.24Å; T200-Y204 PolarHBondContact O-N 3.27Å |
| 201 | S | 66.4 | Low | 73.8 | Confident | 47 Ų | 47 | 83 Ų | 83 | 33% | 0.329 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -78.4 | -35 | 175.9 | 56.2 | 0 | 0 | 0 | 0 | 112.3 | V198 H199 L205 | V198-S201 WeakPolarHBondContact CA-OG 3.32Å; V198-S201 PolarHBondContact O-N 2.82Å; V198-S201 PolarHBondContact O-OG 3.08Å; H199-S201 VanDerWaalsContact C-N 3.34Å; H199-S201 PolarHBondContact O-N 3.42Å; S201-L205 VanDerWaalsContact O-CB 3.25Å; S201-L205 WeakPolarHBondContact O-CB 3.41Å; S201-L205 WeakPolarHBondContact O-CD1 3.45Å; S201-L205 WeakPolarHBondContact O-CG 3.12Å; S201-L205 PolarHBondContact O-N 3.46Å |
| 202 | H | 67.8 | Low | 73.9 | Confident | 27 Ų | 27 | 79.5 Ų | 79.5 | 13% | 0.125 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.4 | -53.3 | 178.1 | 175.1 | -79.5 | 0 | 0 | 0 | 112.2 | H184 V198 H199 Y204 L205 K206 | H184-H202 AromaticContact CD2-NE2 3.99Å; H184-H202 AromaticContact NE2-CD2 3.96Å; H184-H202 AromaticContact NE2-CE1 3.85Å; H184-H202 AromaticContact NE2-NE2 3.34Å; H184-H202 PolarHBondContact NE2-NE2 3.29Å; V198-H202 WeakPolarHBondContact O-CB 3.22Å; V198-H202 PolarHBondContact O-N 2.96Å; H199-H202 PolarHBondContact O-N 3.46Å; H202-Y204 VanDerWaalsContact C-N 3.29Å; H202-Y204 PolarHBondContact O-N 3.22Å; H202-L205 PolarHBondContact O-N 3.44Å; H202-K206 WeakPolarHBondContact O-CB 3.34Å; H202-K206 PolarHBondContact O-N 2.83Å |
| 203 | D | 73.8 | Confident | 73.8 | Confident | 102 Ų | 102 | 78.1 Ų | 78.1 | 55% | 0.545 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.9 | -34.4 | -177 | -65.1 | -15.5 | 0 | 0 | 0 | 111.2 | H199 K206 D207 | H199-D203 PolarHBondContact O-N 3.41Å; D203-K206 PolarHBondContact O-N 3.49Å; D203-D207 PolarHBondContact O-N 2.92Å |
| 204 | Y | 76.2 | Confident | 73.8 | Confident | 143 Ų | 143 | 76.9 Ų | 76.9 | 56% | 0.561 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67 | -42.9 | 173.5 | -176.8 | -108.5 | 0 | 0 | 0 | 112.8 | T200 H202 K206 D207 M208 | T200-Y204 VanDerWaalsContact O-CB 3.22Å; T200-Y204 WeakPolarHBondContact O-CB 3.24Å; T200-Y204 PolarHBondContact O-N 3.27Å; H202-Y204 VanDerWaalsContact C-N 3.29Å; H202-Y204 PolarHBondContact O-N 3.22Å; Y204-K206 VanDerWaalsContact C-N 3.32Å; Y204-K206 PolarHBondContact O-N 3.29Å; Y204-D207 PolarHBondContact O-N 2.91Å; Y204-M208 HydrophobicContact CD1-CE 3.36Å; Y204-M208 HydrophobicContact CD1-SD 4.11Å; Y204-M208 HydrophobicContact CE1-CE 3.18Å; Y204-M208 HydrophobicContact CE1-CG 4.31Å; Y204-M208 HydrophobicContact CE1-SD 3.4Å; Y204-M208 WeakPolarHBondContact CE1-SD 3.4Å; Y204-M208 HydrophobicContact CE2-SD 4.44Å; Y204-M208 HydrophobicContact CG-CE 4.28Å; Y204-M208 VanDerWaalsContact CZ-SD 3.58Å; Y204-M208 WeakPolarHBondContact O-CG 3.44Å; Y204-M208 PolarHBondContact O-N 2.94Å |
| 205 | L | 78.4 | Confident | 73.6 | Confident | 19 Ų | 19 | 79 Ų | 79 | 10% | 0.099 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 175.3 | -75.7 | 166.3 | 0 | 0 | 0 | 111.3 | L180 L183 S201 H202 M208 Q209 | L180-L205 HydrophobicContact CD2-CD2 3.94Å; L183-L205 HydrophobicContact CB-CD1 3.95Å; L183-L205 HydrophobicContact CB-CD2 3.78Å; L183-L205 HydrophobicContact CD1-CD2 4.11Å; S201-L205 VanDerWaalsContact O-CB 3.25Å; S201-L205 WeakPolarHBondContact O-CB 3.41Å; S201-L205 WeakPolarHBondContact O-CD1 3.45Å; S201-L205 WeakPolarHBondContact O-CG 3.12Å; S201-L205 PolarHBondContact O-N 3.46Å; H202-L205 PolarHBondContact O-N 3.44Å; L205-M208 HydrophobicContact CD2-CE 3.74Å; L205-M208 HydrophobicContact CG-CE 4.36Å; L205-M208 PolarHBondContact O-N 3.4Å; L205-Q209 WeakPolarHBondContact O-CB 3.44Å; L205-Q209 PolarHBondContact O-N 3.45Å |
| 206 | K | 81 | Confident | 73.5 | Confident | 103 Ų | 103 | 81.1 Ų | 81.1 | 45% | 0.448 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 175.7 | -172.9 | 175.7 | 178.7 | -178.5 | 0 | 112.2 | H202 D203 Y204 M208 Q209 D210 | H202-K206 WeakPolarHBondContact O-CB 3.34Å; H202-K206 PolarHBondContact O-N 2.83Å; D203-K206 PolarHBondContact O-N 3.49Å; Y204-K206 VanDerWaalsContact C-N 3.32Å; Y204-K206 PolarHBondContact O-N 3.29Å; K206-M208 VanDerWaalsContact C-N 3.3Å; K206-M208 PolarHBondContact O-N 3.02Å; K206-Q209 PolarHBondContact O-N 2.88Å; K206-D210 WeakPolarHBondContact O-CB 3.43Å; K206-D210 PolarHBondContact O-N 3.49Å |
| 207 | D | 82.5 | Confident | 73.9 | Confident | 79 Ų | 79 | 80.1 Ų | 80.1 | 42% | 0.422 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.6 | -42.7 | 174.4 | 178.6 | 75.8 | 0 | 0 | 0 | 111.6 | D203 Y204 D210 R211 | D203-D207 PolarHBondContact O-N 2.92Å; Y204-D207 PolarHBondContact O-N 2.91Å; D207-D210 PolarHBondContact O-N 3.47Å; D207-R211 WeakPolarHBondContact O-CB 3.43Å; D207-R211 WeakPolarHBondContact O-CG 3.44Å; D207-R211 PolarHBondContact O-N 3.45Å; D207-R211 WeakPolarHBondContact OD2-CD 3.3Å; D207-R211 IonicContact OD2-NH1 3.92Å |
| 208 | M | 79.7 | Confident | 74.1 | Confident | 43 Ų | 43 | 78 Ų | 78 | 21% | 0.212 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.5 | -41 | 175.8 | -72.5 | -170.8 | -63 | 0 | 0 | 112.4 | L180 Y204 L205 K206 R211 V212 | L180-M208 HydrophobicContact CD1-CB 4.15Å; L180-M208 HydrophobicContact CD2-CB 4.1Å; L180-M208 HydrophobicContact CD2-CE 3.94Å; Y204-M208 HydrophobicContact CD1-CE 3.36Å; Y204-M208 HydrophobicContact CD1-SD 4.11Å; Y204-M208 HydrophobicContact CE1-CE 3.18Å; Y204-M208 HydrophobicContact CE1-CG 4.31Å; Y204-M208 HydrophobicContact CE1-SD 3.4Å; Y204-M208 WeakPolarHBondContact CE1-SD 3.4Å; Y204-M208 HydrophobicContact CE2-SD 4.44Å; Y204-M208 HydrophobicContact CG-CE 4.28Å; Y204-M208 VanDerWaalsContact CZ-SD 3.58Å; Y204-M208 WeakPolarHBondContact O-CG 3.44Å; Y204-M208 PolarHBondContact O-N 2.94Å; L205-M208 HydrophobicContact CD2-CE 3.74Å; L205-M208 HydrophobicContact CG-CE 4.36Å; L205-M208 PolarHBondContact O-N 3.4Å; K206-M208 VanDerWaalsContact C-N 3.3Å; K206-M208 PolarHBondContact O-N 3.02Å; M208-R211 PolarHBondContact O-N 2.86Å; M208-V212 WeakPolarHBondContact O-CG2 3.2Å; M208-V212 PolarHBondContact O-N 3.34Å |
| 209 | Q | 81.6 | Confident | 73.9 | Confident | 30 Ų | 30 | 80.9 Ų | 80.9 | 14% | 0.14 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.3 | -49.6 | 175.7 | -176.7 | 61.4 | 45.7 | 0 | 0 | 111.2 | G177 L205 K206 R211 V212 D213 | G177-Q209 PolarHBondContact O-OE1 3.22Å; L205-Q209 WeakPolarHBondContact O-CB 3.44Å; L205-Q209 PolarHBondContact O-N 3.45Å; K206-Q209 PolarHBondContact O-N 2.88Å; Q209-R211 PolarHBondContact O-N 3.39Å; Q209-V212 PolarHBondContact O-N 3.23Å; Q209-V212 VanDerWaalsContact O-N 3.07Å; Q209-D213 PolarHBondContact NE2-OD1 3.35Å; Q209-D213 VanDerWaalsContact NE2-OD1 3.16Å; Q209-D213 PolarHBondContact NE2-OD2 2.85Å; Q209-D213 VanDerWaalsContact NE2-OD2 3.08Å; Q209-D213 PolarHBondContact O-N 3.49Å |
| 210 | D | 83.6 | Confident | 73.7 | Confident | 88 Ų | 88 | 82.9 Ų | 82.9 | 47% | 0.471 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.7 | -36.2 | 179 | -71.1 | -19.2 | 0 | 0 | 0 | 111.2 | K206 D207 K214 | K206-D210 WeakPolarHBondContact O-CB 3.43Å; K206-D210 PolarHBondContact O-N 3.49Å; D207-D210 PolarHBondContact O-N 3.47Å; D210-K214 VanDerWaalsContact O-CB 3.28Å; D210-K214 WeakPolarHBondContact O-CB 3.35Å; D210-K214 PolarHBondContact O-N 3.27Å |
| 211 | R | 82 | Confident | 73.3 | Confident | 146 Ų | 146 | 84.5 Ų | 84.5 | 55% | 0.551 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -69 | -41.3 | 174.5 | -73.2 | 171.4 | 63.4 | -167.7 | -2.7 | 112.8 | D207 M208 Q209 K214 M215 | D207-R211 WeakPolarHBondContact O-CB 3.43Å; D207-R211 WeakPolarHBondContact O-CG 3.44Å; D207-R211 PolarHBondContact O-N 3.45Å; D207-R211 WeakPolarHBondContact OD2-CD 3.3Å; D207-R211 IonicContact OD2-NH1 3.92Å; M208-R211 PolarHBondContact O-N 2.86Å; Q209-R211 PolarHBondContact O-N 3.39Å; R211-K214 PolarHBondContact O-N 2.95Å; R211-M215 WeakPolarHBondContact O-CG 3.17Å; R211-M215 PolarHBondContact O-N 3.39Å |
| 212 | V | 78.1 | Confident | 72.7 | Confident | 16 Ų | 16 | 86.2 Ų | 86.2 | 10% | 0.097 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 174.9 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | V176 L180 M208 Q209 K214 M215 R216 | V176-V212 HydrophobicContact CG1-CG2 4.19Å; L180-V212 HydrophobicContact CD1-CB 4.46Å; L180-V212 HydrophobicContact CD1-CG2 3.75Å; M208-V212 WeakPolarHBondContact O-CG2 3.2Å; M208-V212 PolarHBondContact O-N 3.34Å; Q209-V212 PolarHBondContact O-N 3.23Å; Q209-V212 VanDerWaalsContact O-N 3.07Å; V212-K214 VanDerWaalsContact C-N 3.33Å; V212-K214 PolarHBondContact O-N 2.91Å; V212-M215 HydrophobicContact CB-CE 4.49Å; V212-M215 HydrophobicContact CG2-CE 4.03Å; V212-M215 PolarHBondContact O-N 3.19Å; V212-R216 WeakPolarHBondContact O-CB 3.44Å; V212-R216 PolarHBondContact O-N 2.94Å |
| 213 | D | 79.9 | Confident | 71.9 | Confident | 59 Ų | 59 | 87.7 Ų | 87.7 | 32% | 0.316 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 177.5 | -70.1 | -30.8 | 0 | 0 | 0 | 111.6 | Q209 R216 N217 | Q209-D213 PolarHBondContact NE2-OD1 3.35Å; Q209-D213 VanDerWaalsContact NE2-OD1 3.16Å; Q209-D213 PolarHBondContact NE2-OD2 2.85Å; Q209-D213 VanDerWaalsContact NE2-OD2 3.08Å; Q209-D213 PolarHBondContact O-N 3.49Å; D213-R216 PolarHBondContact O-N 3.42Å; D213-N217 VanDerWaalsContact O-CG 3.25Å; D213-N217 PolarHBondContact O-N 2.95Å; D213-N217 PolarHBondContact O-ND2 2.89Å |
| 214 | K | 82 | Confident | 70.6 | Confident | 128 Ų | 128 | 86.9 Ų | 86.9 | 56% | 0.557 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -61.5 | -47.3 | 172.4 | -176.5 | 176.2 | 171.8 | -178.9 | 0 | 111.8 | D210 R211 V212 R216 N217 E218 | D210-K214 VanDerWaalsContact O-CB 3.28Å; D210-K214 WeakPolarHBondContact O-CB 3.35Å; D210-K214 PolarHBondContact O-N 3.27Å; R211-K214 PolarHBondContact O-N 2.95Å; V212-K214 VanDerWaalsContact C-N 3.33Å; V212-K214 PolarHBondContact O-N 2.91Å; K214-R216 VanDerWaalsContact C-N 3.32Å; K214-R216 PolarHBondContact O-N 3.48Å; K214-N217 PolarHBondContact O-N 3.2Å; K214-E218 WeakPolarHBondContact CE-OE1 3.35Å; K214-E218 HydrophobicContact CG-CG 4.49Å; K214-E218 IonicContact NZ-OE1 3.78Å; K214-E218 WeakPolarHBondContact O-CB 3.38Å; K214-E218 WeakPolarHBondContact O-CG 3.41Å; K214-E218 PolarHBondContact O-N 3.01Å |
| 215 | M | 72.8 | Confident | 69.3 | Low | 98 Ų | 98 | 81.9 Ų | 81.9 | 48% | 0.483 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 176.1 | -72.3 | -176.1 | -58.9 | 0 | 0 | 111.4 | R211 V212 N217 E218 D219 | R211-M215 WeakPolarHBondContact O-CG 3.17Å; R211-M215 PolarHBondContact O-N 3.39Å; V212-M215 HydrophobicContact CB-CE 4.49Å; V212-M215 HydrophobicContact CG2-CE 4.03Å; V212-M215 PolarHBondContact O-N 3.19Å; M215-N217 VanDerWaalsContact C-N 3.3Å; M215-N217 PolarHBondContact O-N 2.86Å; M215-E218 PolarHBondContact O-N 3.37Å; M215-D219 VanDerWaalsContact O-CB 3.3Å; M215-D219 WeakPolarHBondContact O-CB 3.37Å; M215-D219 VanDerWaalsContact O-CG 3.3Å; M215-D219 PolarHBondContact O-N 3.47Å |
| 216 | R | 69.7 | Low | 68.1 | Low | 107 Ų | 107 | 86.9 Ų | 86.9 | 40% | 0.404 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.7 | -37.3 | 177.2 | -168 | -176.9 | -168.4 | -165 | 7.4 | 113 | D174 V212 D213 K214 Q220 | D174-R216 IonicContact OD1-CZ 3.17Å; D174-R216 IonicContact OD1-NE 3.97Å; D174-R216 PolarHBondContact OD1-NE 3Å; D174-R216 IonicContact OD1-NH2 2.82Å; D174-R216 PolarHBondContact OD1-NH2 3.34Å; D174-R216 IonicContact OD2-NH2 3.37Å; D174-R216 PolarHBondContact OD2-NH2 3.4Å; V212-R216 WeakPolarHBondContact O-CB 3.44Å; V212-R216 PolarHBondContact O-N 2.94Å; D213-R216 PolarHBondContact O-N 3.42Å; K214-R216 VanDerWaalsContact C-N 3.32Å; K214-R216 PolarHBondContact O-N 3.48Å; R216-Q220 WeakPolarHBondContact O-CG 3.48Å; R216-Q220 PolarHBondContact O-N 2.93Å; R216-Q220 PolarHBondContact O-NE2 3.38Å |
| 217 | N | 72.4 | Confident | 66.7 | Low | 95 Ų | 95 | 85.4 Ų | 85.4 | 51% | 0.508 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -76.7 | -34.3 | 177.6 | -67.9 | -34 | 0 | 0 | 0 | 112 | D213 K214 M215 | D213-N217 VanDerWaalsContact O-CG 3.25Å; D213-N217 PolarHBondContact O-N 2.95Å; D213-N217 PolarHBondContact O-ND2 2.89Å; K214-N217 PolarHBondContact O-N 3.2Å; M215-N217 VanDerWaalsContact C-N 3.3Å; M215-N217 PolarHBondContact O-N 2.86Å |
| 218 | E | 67.7 | Low | 65.2 | Low | 93 Ų | 93 | 87.3 Ų | 87.3 | 44% | 0.435 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -70 | -40.5 | 173.2 | -73 | 176.7 | 175.9 | 0 | 0 | 111.3 | K214 M215 Q220 L221 T222 | K214-E218 WeakPolarHBondContact CE-OE1 3.35Å; K214-E218 HydrophobicContact CG-CG 4.49Å; K214-E218 IonicContact NZ-OE1 3.78Å; K214-E218 WeakPolarHBondContact O-CB 3.38Å; K214-E218 WeakPolarHBondContact O-CG 3.41Å; K214-E218 PolarHBondContact O-N 3.01Å; M215-E218 PolarHBondContact O-N 3.37Å; E218-Q220 VanDerWaalsContact C-N 3.32Å; E218-Q220 PolarHBondContact O-N 3.47Å; E218-L221 CarbonylContact O-C 3.52Å; E218-L221 WeakPolarHBondContact O-CA 3.41Å; E218-L221 WeakPolarHBondContact O-CB 3.31Å; E218-L221 PolarHBondContact O-N 2.97Å; E218-T222 PolarHBondContact O-N 3.33Å; E218-T222 PolarHBondContact O-OG1 2.92Å; E218-T222 VanDerWaalsContact O-OG1 3.06Å |
| 219 | D | 56.1 | Low | 64 | Low | 73 Ų | 73 | 91.5 Ų | 91.5 | 39% | 0.39 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.8 | -29.4 | 178.7 | -77.1 | -28.7 | 0 | 0 | 0 | 112.9 | M215 L221 N223 S224 | M215-D219 VanDerWaalsContact O-CB 3.3Å; M215-D219 WeakPolarHBondContact O-CB 3.37Å; M215-D219 VanDerWaalsContact O-CG 3.3Å; M215-D219 PolarHBondContact O-N 3.47Å; D219-L221 PolarHBondContact O-N 3.27Å; D219-N223 HydrophobicContact CB-CB 4.4Å; D219-N223 PolarHBondContact O-N 2.93Å; D219-N223 PolarHBondContact OD1-ND2 3.39Å; D219-S224 PolarHBondContact O-N 3.4Å |
| 220 | Q | 54.3 | Low | 62.8 | Low | 128 Ų | 128 | 94.6 Ų | 94.6 | 60% | 0.598 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.8 | -23.8 | 167.6 | -79.8 | 178.9 | 71 | 0 | 0 | 112.8 | R216 E218 | R216-Q220 WeakPolarHBondContact O-CG 3.48Å; R216-Q220 PolarHBondContact O-N 2.93Å; R216-Q220 PolarHBondContact O-NE2 3.38Å; E218-Q220 VanDerWaalsContact C-N 3.32Å; E218-Q220 PolarHBondContact O-N 3.47Å |
| 221 | L | 52.7 | Low | 61.4 | Low | 151 Ų | 151 | 96.2 Ų | 96.2 | 79% | 0.791 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -94.1 | -20.9 | 178.5 | -70.6 | 165.7 | 0 | 0 | 0 | 113.1 | E218 D219 | E218-L221 CarbonylContact O-C 3.52Å; E218-L221 WeakPolarHBondContact O-CA 3.41Å; E218-L221 WeakPolarHBondContact O-CB 3.31Å; E218-L221 PolarHBondContact O-N 2.97Å; D219-L221 PolarHBondContact O-N 3.27Å |
| 222 | T | 54.3 | Low | 59.7 | Low | 83 Ų | 83 | 91.2 Ų | 91.2 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -124.5 | -22.7 | -173.8 | 57.8 | 0 | 0 | 0 | 0 | 116.2 | E218 | E218-T222 PolarHBondContact O-N 3.33Å; E218-T222 PolarHBondContact O-OG1 2.92Å; E218-T222 VanDerWaalsContact O-OG1 3.06Å |
| 223 | N | 50.5 | Low | 58.4 | Low | 58 Ų | 58 | 97.3 Ų | 97.3 | 31% | 0.31 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -14.2 | -163.5 | -78 | -38 | 0 | 0 | 0 | 116.9 | D219 G225 Q226 L227 | D219-N223 HydrophobicContact CB-CB 4.4Å; D219-N223 PolarHBondContact O-N 2.93Å; D219-N223 PolarHBondContact OD1-ND2 3.39Å; N223-G225 VanDerWaalsContact C-N 3.33Å; N223-G225 PolarHBondContact O-N 3.16Å; N223-Q226 PolarHBondContact O-N 3.14Å; N223-L227 PolarHBondContact O-N 3.06Å |
| 224 | S | 47.7 | Very low | 56.8 | Low | 85 Ų | 85 | 103 Ų | 103 | 59% | 0.594 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.8 | -33.4 | 174.5 | 72.8 | 0 | 0 | 0 | 0 | 112.4 | D219 | D219-S224 PolarHBondContact O-N 3.4Å |
| 225 | G | 48.1 | Very low | 55.1 | Low | 38 Ų | 38 | 101.3 Ų | 101.3 | 39% | 0.392 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -73.7 | -34.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N223 Q229 | N223-G225 VanDerWaalsContact C-N 3.33Å; N223-G225 PolarHBondContact O-N 3.16Å; G225-Q229 WeakPolarHBondContact O-CB 3.35Å; G225-Q229 WeakPolarHBondContact O-CG 3.43Å; G225-Q229 PolarHBondContact O-N 3.46Å |
| 226 | Q | 52.7 | Low | 53.8 | Low | 124 Ų | 124 | 104.6 Ų | 104.6 | 58% | 0.579 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -84.6 | -21.3 | -172.5 | -68 | -167.1 | -55.1 | 0 | 0 | 114.1 | N223 L230 | N223-Q226 PolarHBondContact O-N 3.14Å; Q226-L230 WeakPolarHBondContact O-CG 3.21Å |
| 227 | L | 52 | Low | 52.3 | Low | 72 Ų | 72 | 108.1 Ų | 108.1 | 38% | 0.377 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -90.7 | -27.5 | 175.7 | -76.1 | 172.3 | 0 | 0 | 0 | 113.3 | N223 L230 | N223-L227 PolarHBondContact O-N 3.06Å; L227-L230 HydrophobicContact CD2-CD1 4.24Å; L227-L230 PolarHBondContact O-N 3.2Å |
| 228 | D | 52.2 | Low | 51 | Low | 118 Ų | 118 | 108.9 Ų | 108.9 | 63% | 0.631 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -75.9 | -31.4 | 172 | -89.6 | -3.3 | 0 | 0 | 0 | 112 | L230 D231 G232 | D228-L230 PolarHBondContact O-N 3.45Å; D228-D231 PolarHBondContact O-N 3.1Å; D228-D231 VanDerWaalsContact O-N 3.13Å; D228-G232 PolarHBondContact O-N 2.63Å |
| 229 | Q | 54.1 | Low | 49.7 | Very low | 131 Ų | 131 | 110.6 Ų | 110.6 | 61% | 0.612 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -14.5 | 170.7 | -77.7 | 175.6 | 20.5 | 0 | 0 | 113.9 | G225 | G225-Q229 WeakPolarHBondContact O-CB 3.35Å; G225-Q229 WeakPolarHBondContact O-CG 3.43Å; G225-Q229 PolarHBondContact O-N 3.46Å |
| 230 | L | 55.4 | Low | 49 | Very low | 96 Ų | 96 | 111.7 Ų | 111.7 | 50% | 0.503 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.5 | -14 | 175 | -70.6 | 176.5 | 0 | 0 | 0 | 113.3 | Q226 L227 D228 | Q226-L230 WeakPolarHBondContact O-CG 3.21Å; L227-L230 HydrophobicContact CD2-CD1 4.24Å; L227-L230 PolarHBondContact O-N 3.2Å; D228-L230 PolarHBondContact O-N 3.45Å |
| 231 | D | 53.9 | Low | 48.5 | Very low | 121 Ų | 121 | 110.9 Ų | 110.9 | 65% | 0.647 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | -8.1 | 177.6 | -89.6 | -35.2 | 0 | 0 | 0 | 113 | K168 D228 | K168-D231 IonicContact NZ-OD2 3.27Å; D228-D231 PolarHBondContact O-N 3.1Å; D228-D231 VanDerWaalsContact O-N 3.13Å |
| 232 | G | 46.6 | Very low | 47.9 | Very low | 42 Ų | 42 | 112.7 Ų | 112.7 | 43% | 0.433 | 64% | 0.637 | S | S | . | * | trans | -141.3 | 99.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D228 | D228-G232 PolarHBondContact O-N 2.63Š| ||
| 233 | E | 50.3 | Low | 47.4 | Very low | 144 Ų | 144 | 120.4 Ų | 120.4 | 67% | 0.673 | 66% | 0.656 | S | S | * | * | trans | -175.6 | 70.9 | 144.5 | -103 | 169.7 | 173.4 | 0 | 0 | 109.4 | ||||
| 234 | N | 47.9 | Very low | 47.1 | Very low | 179 Ų | 179 | 122.6 Ų | 122.6 | 96% | 0.957 | 68% | 0.676 | S | S | * | * | trans | -87.7 | 73.8 | 139.4 | -88.5 | -13 | 0 | 0 | 0 | 105.6 | ||||
| 235 | S | 44.7 | Very low | 47 | Very low | 92 Ų | 92 | 130 Ų | 130 | 64% | 0.643 | 71% | 0.71 | S | S | * | * | trans | -163.1 | 146.9 | 172.9 | -140.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 236 | E | 47.6 | Very low | 46.9 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | 85.5 | 85 | 177.3 | -62 | -172.9 | 138.8 | 0 | 0 | 116.9 | A238 | E236-A238 PolarHBondContact O-N 3.06Š| ||
| 237 | E | 37.7 | Very low | 46.6 | Very low | 181 Ų | 181 | 135.2 Ų | 135.2 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | 23.7 | 98.1 | 118 | -70.7 | 178 | 153.6 | 0 | 0 | 115.9 | D239 | E237-D239 PolarHBondContact O-N 3.39Š| |||
| 238 | A | 44.9 | Very low | 46.4 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 92% | 0.917 | 75% | 0.753 | S | S | * | * | trans | -88 | 75.6 | 150.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | E236 | E236-A238 PolarHBondContact O-N 3.06Š| ||
| 239 | D | 40.7 | Very low | 46 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | trans | -78.2 | 130.6 | 161.4 | -164.5 | -5.2 | 0 | 0 | 0 | 108.8 | E237 | E237-D239 PolarHBondContact O-N 3.39Š| ||
| 240 | S | 40.3 | Very low | 45.5 | Very low | 96 Ų | 96 | 140.5 Ų | 140.5 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | trans | 76 | 155.4 | 157.8 | -68.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 241 | P | 45.1 | Very low | 44.8 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -131.5 | 147.7 | 15.4 | 36.7 | -18.1 | 0 | 0 | 0 | 116.7 | ||||
| 242 | E | 40.2 | Very low | 44.2 | Very low | 188 Ų | 188 | 145.1 Ų | 145.1 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -47.7 | 134.5 | 149 | -74.2 | -178 | 135.5 | 0 | 0 | 110.2 | ||||
| 243 | R | 42.9 | Very low | 44 | Very low | 245 Ų | 245 | 153 Ų | 153 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | trans | -145.4 | 111.4 | 155.2 | -120 | 178.4 | 177.7 | -170.2 | -1.6 | 111.6 | ||||
| 244 | S | 43.8 | Very low | 43.5 | Very low | 105 Ų | 105 | 153.8 Ų | 153.8 | 73% | 0.734 | 84% | 0.838 | S | S | * | * | trans | -54.1 | 136.4 | 173.9 | -38.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 245 | D | 46 | Very low | 43.1 | Very low | 241 Ų | 241 | 151.5 Ų | 151.5 | 100% | 1.289 | 83% | 0.827 | S | S | * | * | -169.3 | 0 | 115.3 | -97.4 | -19 | 0 | 0 | 0 | 109.7 |
Retrieved 245 of 245 residues in 384 ms
(Link to these results)