| 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 | 22.1 | Very low | 27.7 | Very low | 241 Ų | 241 | 150.5 Ų | 150.5 | 100% | 1.187 | 79% | 0.788 | S | S | * | * | 0 | 135.7 | 0 | -82.9 | 174.7 | 174.7 | 0 | 0 | 107.9 | |||||
| 2 | P | 44.3 | Very low | 27.3 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -86.5 | -172.5 | -165.1 | 45.2 | -40.1 | 0 | 0 | 0 | 109.8 | ||||
| 3 | P | 36.9 | Very low | 26.9 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | cis | -139.5 | 160.1 | 48.5 | 35.4 | -11.7 | 0 | 0 | 0 | 113.6 | ||||
| 4 | Q | 27.9 | Very low | 26.8 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | 60.9 | 130.1 | 52.5 | -77.3 | -75.4 | -2.5 | 0 | 0 | 116.3 | |||||
| 5 | L | 24.2 | Very low | 27.1 | Very low | 149 Ų | 149 | 147.1 Ų | 147.1 | 78% | 0.78 | 81% | 0.808 | S | S | * | * | trans | 86.8 | 111.7 | 154.4 | -108.6 | 81.9 | 0 | 0 | 0 | 122.1 | ||||
| 6 | M | 24.5 | Very low | 27.1 | Very low | 183 Ų | 183 | 150.6 Ų | 150.6 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | 170.6 | 146.7 | 122.2 | -102.7 | 178 | 138.5 | 0 | 0 | 108 | |||||
| 7 | S | 24.1 | Very low | 26.9 | Very low | 81 Ų | 81 | 145.9 Ų | 145.9 | 57% | 0.566 | 81% | 0.812 | S | S | * | * | cis | 165.8 | 129.2 | -6.7 | 152.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 8 | Q | 23.8 | Very low | 26.7 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | 64.8 | 155.8 | 145.4 | -53.9 | -83.1 | -23.3 | 0 | 0 | 117.2 | ||||
| 9 | M | 24.4 | Very low | 26.5 | Very low | 153 Ų | 153 | 148.2 Ų | 148.2 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | cis | -172.1 | 139.8 | 17.6 | -130.1 | 160.3 | -170.8 | 0 | 0 | 105.7 | ||||
| 10 | E | 26.9 | Very low | 26.6 | Very low | 162 Ų | 162 | 148.3 Ų | 148.3 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | 151 | 145.8 | 106.1 | -105.4 | -179.7 | 81.2 | 0 | 0 | 105.4 | |||||
| 11 | N | 25.6 | Very low | 26.5 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | cis | -152.1 | 137.1 | 11.2 | -101.6 | -44.8 | 0 | 0 | 0 | 106 | ||||
| 12 | G | 23.5 | Very low | 26.8 | Very low | 82 Ų | 82 | 143.7 Ų | 143.7 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | 61.1 | 118.1 | 92.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 13 | G | 21.9 | Very low | 25.8 | Very low | 73 Ų | 73 | 146.1 Ų | 146.1 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | cis | 153.1 | 131.1 | 9.3 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 14 | E | 25.8 | Very low | 25.8 | Very low | 204 Ų | 204 | 149.2 Ų | 149.2 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | trans | -175.6 | 101.9 | 155.5 | -105.9 | 171.2 | 160.9 | 0 | 0 | 108.9 | ||||
| 15 | E | 30.6 | Very low | 26.3 | Very low | 192 Ų | 192 | 149.1 Ų | 149.1 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -84.7 | 130.8 | 158.7 | -74.4 | -174.7 | 132.4 | 0 | 0 | 108.7 | ||||
| 16 | E | 27.4 | Very low | 26.7 | Very low | 203 Ų | 203 | 147.4 Ų | 147.4 | 95% | 0.949 | 79% | 0.79 | S | S | * | * | trans | 167.9 | 129.3 | 147.3 | -95.2 | -167.1 | 166.8 | 0 | 0 | 105.2 | ||||
| 17 | G | 23.6 | Very low | 27.4 | Very low | 72 Ų | 72 | 142.8 Ų | 142.8 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | cis | 125.6 | 90.7 | 24.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 18 | C | 22.3 | Very low | 28.2 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | 176.2 | 115.2 | 148.4 | -102.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 19 | R | 23.7 | Very low | 28.8 | Very low | 218 Ų | 218 | 146.1 Ų | 146.1 | 82% | 0.823 | 78% | 0.776 | S | S | * | * | 65.4 | 129.2 | 67.7 | -161.9 | -173.7 | -75.9 | -136.4 | 1.7 | 111.5 | |||||
| 20 | L | 28.3 | Very low | 29.4 | Very low | 149 Ų | 149 | 143.9 Ų | 143.9 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | 83.8 | 119.5 | 176.5 | -65.5 | 124.9 | 0 | 0 | 0 | 114.1 | ||||
| 21 | E | 24.1 | Very low | 30.3 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 71% | 0.71 | 74% | 0.738 | S | S | * | * | cis | -141.4 | 135.4 | 23.1 | -92.3 | 160.7 | 64.9 | 0 | 0 | 109.7 | K23 | E21-K23 PolarHBondContact O-N 3.32Š| ||
| 22 | C | 29.9 | Very low | 31.4 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 95% | 0.953 | 72% | 0.724 | S | S | * | * | trans | -61.9 | 82.2 | 143.7 | -74 | 0 | 0 | 0 | 0 | 106.3 | E24 | C22-E24 PolarHBondContact O-N 3.27Š| ||
| 23 | K | 23.4 | Very low | 32.5 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 73% | 0.73 | 71% | 0.71 | S | S | * | * | trans | -64.4 | 111.1 | 166 | -167.7 | 160 | -170.4 | 156.5 | 0 | 104.7 | E21 M25 | E21-K23 PolarHBondContact O-N 3.32Å; K23-M25 VanDerWaalsContact C-N 3.33Å; K23-M25 WeakPolarHBondContact O-CA 3.08Å; K23-M25 PolarHBondContact O-N 2.8Å | ||
| 24 | E | 36.5 | Very low | 33.8 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 85% | 0.846 | 70% | 0.704 | S | S | * | * | trans | -31.6 | 95.7 | 176.9 | -158.5 | 143.9 | 122.5 | 0 | 0 | 110 | C22 D26 | C22-E24 PolarHBondContact O-N 3.27Å; E24-D26 PolarHBondContact O-N 3.43Å | ||
| 25 | M | 37.3 | Very low | 34.8 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 80% | 0.798 | 69% | 0.688 | S | S | * | * | trans | -87.1 | 104.4 | -172.8 | -169.4 | 120.3 | 68.2 | 0 | 0 | 105.4 | K23 P27 | K23-M25 VanDerWaalsContact C-N 3.33Å; K23-M25 WeakPolarHBondContact O-CA 3.08Å; K23-M25 PolarHBondContact O-N 2.8Å; M25-P27 WeakPolarHBondContact O-CD 3.35Å; M25-P27 VanDerWaalsContact O-N 3.08Å | ||
| 26 | D | 34 | Very low | 35.5 | Very low | 113 Ų | 113 | 128 Ų | 128 | 60% | 0.604 | 67% | 0.67 | S | S | * | * | trans | -41.1 | 117.2 | -178.5 | -81.5 | -50 | 0 | 0 | 0 | 110.3 | E24 L28 R29 | E24-D26 PolarHBondContact O-N 3.43Å; D26-L28 HydrophobicContact CB-CB 4.4Å; D26-L28 PolarHBondContact O-N 3.12Å; D26-R29 PolarHBondContact O-N 3.24Å | ||
| 27 | P | 38.9 | Very low | 36.3 | Very low | 86 Ų | 86 | 121.6 Ų | 121.6 | 56% | 0.558 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -58.5 | -15.2 | -179.2 | 18.7 | -29 | 0 | 0 | 0 | 112.7 | M25 R29 L30 T31 | M25-P27 WeakPolarHBondContact O-CD 3.35Å; M25-P27 VanDerWaalsContact O-N 3.08Å; P27-R29 VanDerWaalsContact C-N 3.29Å; P27-R29 PolarHBondContact O-N 2.92Å; P27-L30 PolarHBondContact O-N 2.76Å; P27-T31 PolarHBondContact O-OG1 3.35Å |
| 28 | L | 40.4 | Very low | 37.1 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 65% | 0.654 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -59.5 | -31.1 | 169.9 | -141.6 | 90.4 | 0 | 0 | 0 | 113.9 | D26 T32 | D26-L28 HydrophobicContact CB-CB 4.4Å; D26-L28 PolarHBondContact O-N 3.12Å; L28-T32 WeakPolarHBondContact O-CG2 3.47Å; L28-T32 PolarHBondContact O-OG1 3.03Å |
| 29 | R | 36 | Very low | 38 | Very low | 183 Ų | 183 | 124.7 Ų | 124.7 | 69% | 0.691 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -83.5 | -26.5 | -178 | -83 | -141.3 | 172.8 | -169.4 | 0.6 | 114.2 | D26 P27 T32 L33 | D26-R29 PolarHBondContact O-N 3.24Å; P27-R29 VanDerWaalsContact C-N 3.29Å; P27-R29 PolarHBondContact O-N 2.92Å; R29-T32 VanDerWaalsContact C-OG1 3.29Å; R29-T32 VanDerWaalsContact CA-OG1 3.24Å; R29-T32 WeakPolarHBondContact CA-OG1 3.29Å; R29-T32 PolarHBondContact O-OG1 3.01Å; R29-L33 VanDerWaalsContact O-CG 3.29Å; R29-L33 WeakPolarHBondContact O-CG 3.38Å; R29-L33 PolarHBondContact O-N 3.29Å; R29-L33 VanDerWaalsContact O-N 3.17Å |
| 30 | L | 38.1 | Very low | 38.8 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 56% | 0.555 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -80 | -38.8 | -178.2 | -168.8 | 64.8 | 0 | 0 | 0 | 111.7 | P27 L33 I34 | P27-L30 PolarHBondContact O-N 2.76Å; L30-L33 PolarHBondContact O-N 2.97Å; L30-I34 PolarHBondContact O-N 3.08Å; L30-I34 VanDerWaalsContact O-N 3.14Å |
| 31 | T | 45 | Very low | 39.9 | Very low | 25 Ų | 25 | 126 Ų | 126 | 15% | 0.153 | 65% | 0.646 | C | S | . | * | H | α-helix | trans | -68.4 | -36.8 | 174.9 | -48.5 | 0 | 0 | 0 | 0 | 111.7 | P27 L33 I34 L35 L174 | P27-T31 PolarHBondContact O-OG1 3.35Å; T31-L33 VanDerWaalsContact C-N 3.3Å; T31-L33 PolarHBondContact O-N 3.17Å; T31-I34 PolarHBondContact O-N 2.76Å; T31-L35 PolarHBondContact O-N 3.31Å; T31-L35 VanDerWaalsContact O-N 3.1Å; T31-L174 HydrophobicContact CG2-CD1 4.25Å |
| 32 | T | 49.2 | Very low | 40.9 | Very low | 68 Ų | 68 | 129.2 Ų | 129.2 | 42% | 0.417 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -66.4 | -32.1 | 172.4 | 43.3 | 0 | 0 | 0 | 0 | 112.1 | L28 R29 S36 | L28-T32 WeakPolarHBondContact O-CG2 3.47Å; L28-T32 PolarHBondContact O-OG1 3.03Å; R29-T32 VanDerWaalsContact C-OG1 3.29Å; R29-T32 VanDerWaalsContact CA-OG1 3.24Å; R29-T32 WeakPolarHBondContact CA-OG1 3.29Å; R29-T32 PolarHBondContact O-OG1 3.01Å; T32-S36 WeakPolarHBondContact O-CB 3.3Å; T32-S36 PolarHBondContact O-N 3.09Å; T32-S36 VanDerWaalsContact O-N 3.09Å; T32-S36 PolarHBondContact O-OG 3.49Å; T32-S36 VanDerWaalsContact O-OG 3.08Å |
| 33 | L | 45.8 | Very low | 42.1 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 56% | 0.555 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.1 | -43.4 | 175.2 | -81.7 | 171.1 | 0 | 0 | 0 | 113.1 | R29 L30 T31 S36 A37 | R29-L33 VanDerWaalsContact O-CG 3.29Å; R29-L33 WeakPolarHBondContact O-CG 3.38Å; R29-L33 PolarHBondContact O-N 3.29Å; R29-L33 VanDerWaalsContact O-N 3.17Å; L30-L33 PolarHBondContact O-N 2.97Å; T31-L33 VanDerWaalsContact C-N 3.3Å; T31-L33 PolarHBondContact O-N 3.17Å; L33-S36 VanDerWaalsContact CA-OG 3.3Å; L33-S36 WeakPolarHBondContact CA-OG 3.1Å; L33-S36 CarbonylContact O-C 3.59Å; L33-S36 PolarHBondContact O-N 3.39Å; L33-S36 VanDerWaalsContact O-N 3.14Å; L33-S36 PolarHBondContact O-OG 3.14Å; L33-A37 PolarHBondContact O-N 3.49Å |
| 34 | I | 49 | Very low | 44 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 63% | 0.631 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -72.3 | -35.4 | -179.9 | -63.4 | 170.9 | 0 | 0 | 0 | 111.6 | L30 T31 S36 A37 | L30-I34 PolarHBondContact O-N 3.08Å; L30-I34 VanDerWaalsContact O-N 3.14Å; T31-I34 PolarHBondContact O-N 2.76Å; I34-S36 PolarHBondContact O-N 3.14Å; I34-A37 PolarHBondContact O-N 3.19Å |
| 35 | L | 46.9 | Very low | 45.4 | Very low | 115 Ų | 115 | 119.6 Ų | 119.6 | 60% | 0.602 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.7 | -16.3 | 171.2 | -134.2 | 91.2 | 0 | 0 | 0 | 112.9 | T31 | T31-L35 PolarHBondContact O-N 3.31Å; T31-L35 VanDerWaalsContact O-N 3.1Å |
| 36 | S | 46.1 | Very low | 47.1 | Very low | 75 Ų | 75 | 118.4 Ų | 118.4 | 52% | 0.524 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.3 | -0.2 | 178.8 | 76.1 | 0 | 0 | 0 | 0 | 114.7 | T32 L33 I34 D38 | T32-S36 WeakPolarHBondContact O-CB 3.3Å; T32-S36 PolarHBondContact O-N 3.09Å; T32-S36 VanDerWaalsContact O-N 3.09Å; T32-S36 PolarHBondContact O-OG 3.49Å; T32-S36 VanDerWaalsContact O-OG 3.08Å; L33-S36 VanDerWaalsContact CA-OG 3.3Å; L33-S36 WeakPolarHBondContact CA-OG 3.1Å; L33-S36 CarbonylContact O-C 3.59Å; L33-S36 PolarHBondContact O-N 3.39Å; L33-S36 VanDerWaalsContact O-N 3.14Å; L33-S36 PolarHBondContact O-OG 3.14Å; I34-S36 PolarHBondContact O-N 3.14Å; S36-D38 VanDerWaalsContact C-N 3.3Å; S36-D38 PolarHBondContact O-N 3.1Å |
| 37 | A | 44.3 | Very low | 49.2 | Very low | 68 Ų | 68 | 118 Ų | 118 | 56% | 0.562 | 59% | 0.59 | S | S | * | * | trans | -80.6 | 3.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L33 I34 P39 | L33-A37 PolarHBondContact O-N 3.49Å; I34-A37 PolarHBondContact O-N 3.19Å; A37-P39 WeakPolarHBondContact O-CD 3.38Å | ||
| 38 | D | 40 | Very low | 50.9 | Low | 134 Ų | 134 | 116.6 Ų | 116.6 | 72% | 0.717 | 58% | 0.576 | S | S | * | * | trans | -98 | 95.8 | 169.1 | -89.8 | -39.7 | 0 | 0 | 0 | 111.4 | S36 R40 Y41 | S36-D38 VanDerWaalsContact C-N 3.3Å; S36-D38 PolarHBondContact O-N 3.1Å; D38-R40 PolarHBondContact O-N 3.48Å; D38-R40 VanDerWaalsContact O-N 3.12Å; D38-Y41 PolarHBondContact O-N 3.23Å | ||
| 39 | P | 42.2 | Very low | 52.8 | Low | 120 Ų | 120 | 111.5 Ų | 111.5 | 78% | 0.779 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -6.4 | -176.3 | 25.9 | -34.2 | 0 | 0 | 0 | 114.6 | A37 | A37-P39 WeakPolarHBondContact O-CD 3.38Š|
| 40 | R | 40.1 | Very low | 55.2 | Low | 221 Ų | 221 | 106.9 Ų | 106.9 | 83% | 0.834 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -5.7 | 178.1 | -85.1 | -165.6 | -74.3 | -171.3 | -1.7 | 115.2 | D38 | D38-R40 PolarHBondContact O-N 3.48Å; D38-R40 VanDerWaalsContact O-N 3.12Å |
| 41 | Y | 49.8 | Very low | 57.4 | Low | 174 Ų | 174 | 105.2 Ų | 105.2 | 68% | 0.682 | 54% | 0.539 | S | S | * | . | trans | -132.8 | 29.2 | -175 | -136.4 | -93.6 | 0 | 0 | 0 | 115.4 | D38 I43 | D38-Y41 PolarHBondContact O-N 3.23Å; Y41-I43 HydrophobicContact CE1-CD1 4.07Å; Y41-I43 PolarHBondContact O-N 2.8Å | ||
| 42 | R | 45.3 | Very low | 59.2 | Low | 220 Ų | 220 | 105.6 Ų | 105.6 | 83% | 0.83 | 55% | 0.545 | S | S | * | . | trans | -73.9 | 66 | 176.7 | -160.4 | -172.2 | -155 | -175.8 | 9.2 | 112.2 | K44 | R42-K44 PolarHBondContact O-N 3.5Š| ||
| 43 | I | 56.1 | Low | 61 | Low | 68 Ų | 68 | 103.6 Ų | 103.6 | 35% | 0.349 | 53% | 0.532 | S | S | . | . | trans | -80.7 | 114.4 | 162 | -54.3 | 179 | 0 | 0 | 0 | 105.8 | Y41 Q47 Q48 | Y41-I43 HydrophobicContact CE1-CD1 4.07Å; Y41-I43 PolarHBondContact O-N 2.8Å; I43-Q47 HydrophobicContact CG2-CB 3.29Å; I43-Q47 HydrophobicContact CG2-CG 4.45Å; I43-Q48 HydrophobicContact CB-CG 3.93Å; I43-Q48 HydrophobicContact CG2-CB 4.43Å; I43-Q48 HydrophobicContact CG2-CG 3.51Å | ||
| 44 | K | 62.4 | Low | 63.1 | Low | 136 Ų | 136 | 102.2 Ų | 102.2 | 59% | 0.591 | 53% | 0.527 | S | S | * | . | trans | -54.1 | 146.1 | 175.6 | -70.9 | 178.1 | 178.7 | 175.5 | 0 | 108.6 | R42 M46 Q47 Q48 | R42-K44 PolarHBondContact O-N 3.5Å; K44-M46 PolarHBondContact O-N 3.25Å; K44-Q47 HydrophobicContact CB-CG 4.34Å; K44-Q47 WeakPolarHBondContact O-CA 3.48Å; K44-Q47 WeakPolarHBondContact O-CB 3.39Å; K44-Q47 PolarHBondContact O-N 3.23Å; K44-Q48 PolarHBondContact O-N 2.9Å | ||
| 45 | P | 66.8 | Low | 64.9 | Low | 84 Ų | 84 | 97.8 Ų | 97.8 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -51.6 | -34.6 | 179.7 | 18.2 | -31.6 | 0 | 0 | 0 | 112.2 | Q48 V49 | P45-Q48 PolarHBondContact O-N 2.88Å; P45-V49 WeakPolarHBondContact O-CG2 3.31Å; P45-V49 PolarHBondContact O-N 2.7Å |
| 46 | M | 72.4 | Confident | 66.7 | Low | 136 Ų | 136 | 93.9 Ų | 93.9 | 67% | 0.67 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.5 | -38 | 173.6 | -64.4 | -58.9 | 179.5 | 0 | 0 | 114 | K44 Q48 V49 V50 | K44-M46 PolarHBondContact O-N 3.25Å; M46-Q48 VanDerWaalsContact C-N 3.35Å; M46-V49 PolarHBondContact O-N 3.49Å; M46-V50 WeakPolarHBondContact O-CB 3.2Å; M46-V50 WeakPolarHBondContact O-CG2 3.45Å; M46-V50 PolarHBondContact O-N 3.27Å |
| 47 | Q | 77.9 | Confident | 68.7 | Low | 106 Ų | 106 | 93.6 Ų | 93.6 | 50% | 0.495 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.2 | -33.9 | 176.3 | -72.6 | 173 | -45.4 | 0 | 0 | 111.6 | I43 K44 V50 S51 | I43-Q47 HydrophobicContact CG2-CB 3.29Å; I43-Q47 HydrophobicContact CG2-CG 4.45Å; K44-Q47 HydrophobicContact CB-CG 4.34Å; K44-Q47 WeakPolarHBondContact O-CA 3.48Å; K44-Q47 WeakPolarHBondContact O-CB 3.39Å; K44-Q47 PolarHBondContact O-N 3.23Å; Q47-V50 PolarHBondContact O-N 3.5Å; Q47-S51 WeakPolarHBondContact O-CB 3.42Å; Q47-S51 PolarHBondContact O-N 3.17Å; Q47-S51 PolarHBondContact O-OG 3.43Å |
| 48 | Q | 74.8 | Confident | 70.9 | Confident | 56 Ų | 56 | 95.3 Ų | 95.3 | 26% | 0.262 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.5 | -41.3 | 173 | -67.3 | -178.6 | -29.9 | 0 | 0 | 111.9 | I43 K44 P45 M46 V50 S51 A52 | I43-Q48 HydrophobicContact CB-CG 3.93Å; I43-Q48 HydrophobicContact CG2-CB 4.43Å; I43-Q48 HydrophobicContact CG2-CG 3.51Å; K44-Q48 PolarHBondContact O-N 2.9Å; P45-Q48 PolarHBondContact O-N 2.88Å; M46-Q48 VanDerWaalsContact C-N 3.35Å; Q48-V50 VanDerWaalsContact C-N 3.34Å; Q48-S51 WeakPolarHBondContact CA-OG 3.33Å; Q48-S51 PolarHBondContact O-N 2.75Å; Q48-S51 PolarHBondContact O-OG 2.99Å; Q48-A52 VanDerWaalsContact O-CB 3.25Å; Q48-A52 WeakPolarHBondContact O-CB 3.31Å; Q48-A52 PolarHBondContact O-N 2.98Å |
| 49 | V | 81.7 | Confident | 73.2 | Confident | 17 Ų | 17 | 92.9 Ų | 92.9 | 10% | 0.103 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 173.8 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | P45 M46 A52 L53 I156 F159 | P45-V49 WeakPolarHBondContact O-CG2 3.31Å; P45-V49 PolarHBondContact O-N 2.7Å; M46-V49 PolarHBondContact O-N 3.49Å; V49-A52 PolarHBondContact O-N 2.83Å; V49-L53 HydrophobicContact CG1-CD1 3.95Å; V49-L53 HydrophobicContact CG1-CG 4.34Å; V49-L53 WeakPolarHBondContact O-CB 3.24Å; V49-L53 VanDerWaalsContact O-CG 3.24Å; V49-L53 WeakPolarHBondContact O-CG 3.49Å; V49-L53 PolarHBondContact O-N 3.38Å; V49-I156 HydrophobicContact CG1-CG1 4.01Å; V49-F159 HydrophobicContact CG2-CB 3.77Å; V49-F159 HydrophobicContact CG2-CD2 4Å; V49-F159 HydrophobicContact CG2-CG 3.99Å |
| 50 | V | 84.6 | Confident | 75.3 | Confident | 86 Ų | 86 | 88.6 Ų | 88.6 | 52% | 0.521 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 178.2 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | M46 Q47 Q48 L53 V54 | M46-V50 WeakPolarHBondContact O-CB 3.2Å; M46-V50 WeakPolarHBondContact O-CG2 3.45Å; M46-V50 PolarHBondContact O-N 3.27Å; Q47-V50 PolarHBondContact O-N 3.5Å; Q48-V50 VanDerWaalsContact C-N 3.34Å; V50-L53 PolarHBondContact O-N 3.38Å; V50-V54 HydrophobicContact CG1-CG2 4.4Å; V50-V54 VanDerWaalsContact O-CG2 3.31Å; V50-V54 WeakPolarHBondContact O-CG2 3.46Å; V50-V54 PolarHBondContact O-N 3.31Å |
| 51 | S | 85.3 | Confident | 77.6 | Confident | 71 Ų | 71 | 83.6 Ų | 83.6 | 50% | 0.497 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 177.9 | 66.2 | 0 | 0 | 0 | 0 | 112 | Q47 Q48 V54 G55 | Q47-S51 WeakPolarHBondContact O-CB 3.42Å; Q47-S51 PolarHBondContact O-N 3.17Å; Q47-S51 PolarHBondContact O-OG 3.43Å; Q48-S51 WeakPolarHBondContact CA-OG 3.33Å; Q48-S51 PolarHBondContact O-N 2.75Å; Q48-S51 PolarHBondContact O-OG 2.99Å; S51-V54 PolarHBondContact O-N 2.95Å; S51-G55 PolarHBondContact O-N 2.91Å |
| 52 | A | 82.9 | Confident | 79.5 | Confident | 33 Ų | 33 | 80 Ų | 80 | 27% | 0.273 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q48 V49 G56 T155 F159 | Q48-A52 VanDerWaalsContact O-CB 3.25Å; Q48-A52 WeakPolarHBondContact O-CB 3.31Å; Q48-A52 PolarHBondContact O-N 2.98Å; V49-A52 PolarHBondContact O-N 2.83Å; A52-G56 PolarHBondContact O-N 2.92Å; A52-T155 HydrophobicContact CB-CG2 4.05Å; A52-F159 HydrophobicContact CB-CD2 4.44Å; A52-F159 HydrophobicContact CB-CE2 3.32Å; A52-F159 HydrophobicContact CB-CZ 3.62Å |
| 53 | L | 86.5 | Confident | 81.6 | Confident | 27 Ų | 27 | 72.1 Ų | 72.1 | 14% | 0.141 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.6 | -51.4 | 174.4 | -76.9 | 175.6 | 0 | 0 | 0 | 111.1 | V49 V50 G55 G56 L57 L152 T155 | V49-L53 HydrophobicContact CG1-CD1 3.95Å; V49-L53 HydrophobicContact CG1-CG 4.34Å; V49-L53 WeakPolarHBondContact O-CB 3.24Å; V49-L53 VanDerWaalsContact O-CG 3.24Å; V49-L53 WeakPolarHBondContact O-CG 3.49Å; V49-L53 PolarHBondContact O-N 3.38Å; V50-L53 PolarHBondContact O-N 3.38Å; L53-G55 VanDerWaalsContact C-N 3.35Å; L53-G55 PolarHBondContact O-N 3.33Å; L53-G56 CarbonylContact O-C 3.54Å; L53-G56 PolarHBondContact O-N 3.3Å; L53-G56 VanDerWaalsContact O-N 3.14Å; L53-L57 WeakPolarHBondContact O-CG 3.04Å; L53-L57 PolarHBondContact O-N 3Å; L53-L152 HydrophobicContact CD1-CD2 3.8Å; L53-L152 HydrophobicContact CD2-CD2 3.74Å; L53-L152 HydrophobicContact CG-CD2 4.35Å; L53-T155 HydrophobicContact CD2-CG2 3.84Å; L53-T155 HydrophobicContact CG-CG2 4.03Å |
| 54 | V | 89.5 | Confident | 83.1 | Confident | 76 Ų | 76 | 69.5 Ų | 69.5 | 46% | 0.461 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59 | -46.9 | 179.3 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | V50 S51 G56 L57 I58 | V50-V54 HydrophobicContact CG1-CG2 4.4Å; V50-V54 VanDerWaalsContact O-CG2 3.31Å; V50-V54 WeakPolarHBondContact O-CG2 3.46Å; V50-V54 PolarHBondContact O-N 3.31Å; S51-V54 PolarHBondContact O-N 2.95Å; V54-G56 VanDerWaalsContact C-N 3.33Å; V54-G56 PolarHBondContact O-N 2.91Å; V54-L57 PolarHBondContact O-N 2.78Å; V54-I58 HydrophobicContact CG1-CD1 3.93Å; V54-I58 WeakPolarHBondContact O-CG1 3.42Å; V54-I58 PolarHBondContact O-N 2.93Å |
| 55 | G | 86.9 | Confident | 84.2 | Confident | 31 Ų | 31 | 64 Ų | 64 | 32% | 0.32 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S51 L53 I58 T59 | S51-G55 PolarHBondContact O-N 2.91Å; L53-G55 VanDerWaalsContact C-N 3.35Å; L53-G55 PolarHBondContact O-N 3.33Å; G55-I58 PolarHBondContact O-N 3.41Å; G55-T59 WeakPolarHBondContact O-CB 3.42Å; G55-T59 PolarHBondContact O-N 3.48Å; G55-T59 PolarHBondContact O-OG1 3.43Å |
| 56 | G | 85.6 | Confident | 85.2 | Confident | 32 Ų | 32 | 65.8 Ų | 65.8 | 33% | 0.33 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A52 L53 V54 T60 | A52-G56 PolarHBondContact O-N 2.92Å; L53-G56 CarbonylContact O-C 3.54Å; L53-G56 PolarHBondContact O-N 3.3Å; L53-G56 VanDerWaalsContact O-N 3.14Å; V54-G56 VanDerWaalsContact C-N 3.33Å; V54-G56 PolarHBondContact O-N 2.91Å; G56-T60 VanDerWaalsContact O-CB 3.23Å; G56-T60 WeakPolarHBondContact O-CB 3.25Å; G56-T60 PolarHBondContact O-N 2.9Å; G56-T60 PolarHBondContact O-OG1 3.11Å |
| 57 | L | 88.1 | Confident | 85.7 | Confident | 69 Ų | 69 | 63.2 Ų | 63.2 | 36% | 0.361 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.2 | -46.6 | 176.2 | -66.1 | 172 | 0 | 0 | 0 | 111.2 | L53 V54 T60 F61 L148 | L53-L57 WeakPolarHBondContact O-CG 3.04Å; L53-L57 PolarHBondContact O-N 3Å; V54-L57 PolarHBondContact O-N 2.78Å; L57-T60 PolarHBondContact O-N 2.99Å; L57-F61 WeakPolarHBondContact O-CB 3.4Å; L57-F61 PolarHBondContact O-N 3.09Å; L57-L148 HydrophobicContact CD2-CB 4.38Å; L57-L148 HydrophobicContact CD2-CD2 3.34Å; L57-L148 HydrophobicContact CD2-CG 4.29Å |
| 58 | I | 89.9 | Confident | 85.7 | Confident | 104 Ų | 104 | 58.8 Ų | 58.8 | 53% | 0.533 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.3 | -48.8 | 177.4 | -66.4 | 166.6 | 0 | 0 | 0 | 110.1 | V54 G55 T60 F61 V62 | V54-I58 HydrophobicContact CG1-CD1 3.93Å; V54-I58 WeakPolarHBondContact O-CG1 3.42Å; V54-I58 PolarHBondContact O-N 2.93Å; G55-I58 PolarHBondContact O-N 3.41Å; I58-T60 VanDerWaalsContact C-N 3.34Å; I58-T60 PolarHBondContact O-N 3.27Å; I58-F61 PolarHBondContact O-N 2.87Å; I58-V62 WeakPolarHBondContact O-CG2 3.3Å; I58-V62 PolarHBondContact O-N 3.38Å; I58-V62 VanDerWaalsContact O-N 3.1Å |
| 59 | T | 88.2 | Confident | 86.1 | Confident | 83 Ų | 83 | 56.7 Ų | 56.7 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 178.7 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | G55 F61 V62 V63 | G55-T59 WeakPolarHBondContact O-CB 3.42Å; G55-T59 PolarHBondContact O-N 3.48Å; G55-T59 PolarHBondContact O-OG1 3.43Å; T59-F61 VanDerWaalsContact C-N 3.33Å; T59-F61 PolarHBondContact O-N 3.2Å; T59-V62 PolarHBondContact O-N 2.96Å; T59-V63 HydrophobicContact CG2-CG2 4.07Å; T59-V63 VanDerWaalsContact O-CB 3.3Å; T59-V63 WeakPolarHBondContact O-CB 3.3Å; T59-V63 VanDerWaalsContact O-CG2 3.3Å; T59-V63 WeakPolarHBondContact O-CG2 3.24Å; T59-V63 PolarHBondContact O-N 3.24Å |
| 60 | T | 86.9 | Confident | 86.2 | Confident | 30 Ų | 30 | 60.8 Ų | 60.8 | 18% | 0.184 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 178.1 | -59.9 | 0 | 0 | 0 | 0 | 110.3 | G56 L57 I58 V62 V63 T64 L144 T147 L148 | G56-T60 VanDerWaalsContact O-CB 3.23Å; G56-T60 WeakPolarHBondContact O-CB 3.25Å; G56-T60 PolarHBondContact O-N 2.9Å; G56-T60 PolarHBondContact O-OG1 3.11Å; L57-T60 PolarHBondContact O-N 2.99Å; I58-T60 VanDerWaalsContact C-N 3.34Å; I58-T60 PolarHBondContact O-N 3.27Å; T60-V62 VanDerWaalsContact C-N 3.29Å; T60-V62 PolarHBondContact O-N 2.86Å; T60-V63 PolarHBondContact O-N 3.3Å; T60-T64 VanDerWaalsContact O-CB 3.27Å; T60-T64 WeakPolarHBondContact O-CB 3.45Å; T60-T64 PolarHBondContact O-N 3.3Å; T60-T64 PolarHBondContact O-OG1 3.13Å; T60-L144 HydrophobicContact CG2-CD1 3.7Å; T60-T147 HydrophobicContact CG2-CG2 3.76Å; T60-L148 HydrophobicContact CG2-CD2 4.11Å |
| 61 | F | 88.8 | Confident | 85.6 | Confident | 117 Ų | 117 | 58.8 Ų | 58.8 | 51% | 0.513 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.8 | -42.1 | 179 | -178.4 | -96.2 | 0 | 0 | 0 | 112.7 | L57 I58 T59 W141 L144 | L57-F61 WeakPolarHBondContact O-CB 3.4Å; L57-F61 PolarHBondContact O-N 3.09Å; I58-F61 PolarHBondContact O-N 2.87Å; T59-F61 VanDerWaalsContact C-N 3.33Å; T59-F61 PolarHBondContact O-N 3.2Å; F61-W141 AromaticContact CD2-NE1 3.74Å; F61-W141 AromaticContact CE2-NE1 3.71Å; F61-W141 HydrophobicContact CZ-CZ2 4.29Å; F61-W141 PolarHBondContact O-NE1 3.37Å; F61-L144 HydrophobicContact CD2-CD2 4.44Å |
| 62 | V | 89.8 | Confident | 85.1 | Confident | 98 Ų | 98 | 56.4 Ų | 56.4 | 59% | 0.594 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -71.6 | -40.2 | 179 | 173.9 | 0 | 0 | 0 | 0 | 112.2 | I58 T59 T60 | I58-V62 WeakPolarHBondContact O-CG2 3.3Å; I58-V62 PolarHBondContact O-N 3.38Å; I58-V62 VanDerWaalsContact O-N 3.1Å; T59-V62 PolarHBondContact O-N 2.96Å; T60-V62 VanDerWaalsContact C-N 3.29Å; T60-V62 PolarHBondContact O-N 2.86Å |
| 63 | V | 88.8 | Confident | 84.8 | Confident | 55 Ų | 55 | 56.1 Ų | 56.1 | 33% | 0.333 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -85.7 | -22.3 | -173.6 | 172.5 | 0 | 0 | 0 | 0 | 112.5 | T59 T60 L66 E67 | T59-V63 HydrophobicContact CG2-CG2 4.07Å; T59-V63 VanDerWaalsContact O-CB 3.3Å; T59-V63 WeakPolarHBondContact O-CB 3.3Å; T59-V63 VanDerWaalsContact O-CG2 3.3Å; T59-V63 WeakPolarHBondContact O-CG2 3.24Å; T59-V63 PolarHBondContact O-N 3.24Å; T60-V63 PolarHBondContact O-N 3.3Å; V63-L66 WeakPolarHBondContact O-CB 3.34Å; V63-L66 PolarHBondContact O-N 2.94Å; V63-E67 HydrophobicContact CG1-CG 3.63Å; V63-E67 PolarHBondContact O-N 3.17Å |
| 64 | T | 86.9 | Confident | 84.2 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 7% | 0.074 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -53.2 | -45.9 | -175.8 | -65.3 | 0 | 0 | 0 | 0 | 114 | T60 L66 E67 V68 W141 L144 | T60-T64 VanDerWaalsContact O-CB 3.27Å; T60-T64 WeakPolarHBondContact O-CB 3.45Å; T60-T64 PolarHBondContact O-N 3.3Å; T60-T64 PolarHBondContact O-OG1 3.13Å; T64-L66 VanDerWaalsContact C-N 3.27Å; T64-L66 PolarHBondContact O-N 3.48Å; T64-E67 PolarHBondContact O-N 3.48Å; T64-V68 HydrophobicContact CG2-CG2 4.22Å; T64-V68 WeakPolarHBondContact O-CG2 3.21Å; T64-V68 PolarHBondContact O-N 3.41Å; T64-W141 HydrophobicContact CG2-CB 4.46Å; T64-W141 HydrophobicContact CG2-CG 4.37Å; T64-L144 HydrophobicContact CG2-CB 4.44Å; T64-L144 HydrophobicContact CG2-CD1 4.42Å; T64-L144 WeakPolarHBondContact OG1-CD1 3.45Å |
| 65 | P | 86.1 | Confident | 83.1 | Confident | 20 Ų | 20 | 58.5 Ų | 58.5 | 13% | 0.13 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.4 | -39.9 | 177.9 | -27.5 | 37.1 | 0 | 0 | 0 | 113.3 | V69 L140 W141 | P65-V69 WeakPolarHBondContact O-CG2 3.36Å; P65-V69 PolarHBondContact O-N 2.85Å; P65-V69 VanDerWaalsContact O-N 3.09Å; P65-L140 HydrophobicContact CB-CB 4.05Å; P65-L140 HydrophobicContact CB-CD2 4.31Å; P65-L140 HydrophobicContact CG-CB 4.33Å; P65-W141 HydrophobicContact CG-CD2 4.35Å; P65-W141 HydrophobicContact CG-CH2 3.98Å; P65-W141 HydrophobicContact CG-CZ2 3.54Å |
| 66 | L | 86.9 | Confident | 82.1 | Confident | 122 Ų | 122 | 58.2 Ų | 58.2 | 64% | 0.639 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -71 | -40.8 | 178.9 | -63.8 | 175.8 | 0 | 0 | 0 | 111.2 | V63 T64 V68 V69 K70 | V63-L66 WeakPolarHBondContact O-CB 3.34Å; V63-L66 PolarHBondContact O-N 2.94Å; T64-L66 VanDerWaalsContact C-N 3.27Å; T64-L66 PolarHBondContact O-N 3.48Å; L66-V68 VanDerWaalsContact C-N 3.35Å; L66-V69 PolarHBondContact O-N 3.36Å; L66-K70 VanDerWaalsContact O-CB 3.27Å; L66-K70 WeakPolarHBondContact O-CB 3.3Å; L66-K70 PolarHBondContact O-N 2.99Å |
| 67 | E | 83 | Confident | 80.9 | Confident | 83 Ų | 83 | 62.2 Ų | 62.2 | 39% | 0.388 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 175.2 | -74.1 | -67.9 | 140.5 | 0 | 0 | 111.6 | V63 T64 K70 T71 | V63-E67 HydrophobicContact CG1-CG 3.63Å; V63-E67 PolarHBondContact O-N 3.17Å; T64-E67 PolarHBondContact O-N 3.48Å; E67-K70 PolarHBondContact O-N 3.45Å; E67-T71 VanDerWaalsContact O-CB 3.31Å; E67-T71 WeakPolarHBondContact O-CB 3.38Å; E67-T71 WeakPolarHBondContact O-CG2 3.21Å; E67-T71 PolarHBondContact O-N 2.96Å; E67-T71 PolarHBondContact O-OG1 3.41Å |
| 68 | V | 79.1 | Confident | 79.5 | Confident | 12 Ų | 12 | 62 Ų | 62 | 7% | 0.073 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 175.6 | 173 | 0 | 0 | 0 | 0 | 110.8 | T64 L66 T71 R72 I131 L140 | T64-V68 HydrophobicContact CG2-CG2 4.22Å; T64-V68 WeakPolarHBondContact O-CG2 3.21Å; T64-V68 PolarHBondContact O-N 3.41Å; L66-V68 VanDerWaalsContact C-N 3.35Å; V68-T71 WeakPolarHBondContact CA-OG1 3.34Å; V68-T71 PolarHBondContact O-OG1 3.49Å; V68-T71 VanDerWaalsContact O-OG1 3.07Å; V68-R72 HydrophobicContact CG1-CG 4.36Å; V68-R72 WeakPolarHBondContact O-CB 3.31Å; V68-R72 WeakPolarHBondContact O-CG 3.46Å; V68-R72 PolarHBondContact O-N 3.44Å; V68-R72 VanDerWaalsContact O-N 3.09Å; V68-I131 HydrophobicContact CG1-CD1 4.16Å; V68-L140 VanDerWaalsContact CG2-O 3.26Å; V68-L140 WeakPolarHBondContact CG2-O 3.25Å |
| 69 | V | 81.8 | Confident | 77.8 | Confident | 12 Ų | 12 | 59.6 Ų | 59.6 | 7% | 0.073 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.5 | -49.6 | 176 | 166.4 | 0 | 0 | 0 | 0 | 111.2 | P65 L66 R72 V73 A124 A127 F128 I131 L140 | P65-V69 WeakPolarHBondContact O-CG2 3.36Å; P65-V69 PolarHBondContact O-N 2.85Å; P65-V69 VanDerWaalsContact O-N 3.09Å; L66-V69 PolarHBondContact O-N 3.36Å; V69-R72 PolarHBondContact O-N 3.13Å; V69-V73 WeakPolarHBondContact O-CG2 3.33Å; V69-V73 PolarHBondContact O-N 3.31Å; V69-V73 VanDerWaalsContact O-N 3.07Å; V69-A124 HydrophobicContact CG1-CB 3.78Å; V69-A124 WeakPolarHBondContact CG1-O 3.25Å; V69-A127 HydrophobicContact CG1-CB 4.11Å; V69-F128 HydrophobicContact CG2-CB 3.96Å; V69-F128 HydrophobicContact CG2-CD2 3.99Å; V69-F128 HydrophobicContact CG2-CG 4.5Å; V69-I131 HydrophobicContact CG2-CD1 4.09Å; V69-L140 HydrophobicContact CG2-CD2 4.34Å |
| 70 | K | 83.6 | Confident | 76.1 | Confident | 103 Ų | 103 | 65.9 Ų | 65.9 | 45% | 0.448 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.2 | -51 | 180 | 177.5 | -179 | 174.9 | -176 | 0 | 111.6 | L66 E67 R72 V73 Q74 | L66-K70 VanDerWaalsContact O-CB 3.27Å; L66-K70 WeakPolarHBondContact O-CB 3.3Å; L66-K70 PolarHBondContact O-N 2.99Å; E67-K70 PolarHBondContact O-N 3.45Å; K70-R72 VanDerWaalsContact C-N 3.33Å; K70-R72 PolarHBondContact O-N 3.11Å; K70-V73 PolarHBondContact O-N 2.83Å; K70-Q74 VanDerWaalsContact CE-NE2 3.35Å; K70-Q74 HydrophobicContact CG-CG 4.36Å; K70-Q74 WeakPolarHBondContact O-CB 3.27Å; K70-Q74 VanDerWaalsContact O-CG 3.28Å; K70-Q74 WeakPolarHBondContact O-CG 3.33Å; K70-Q74 PolarHBondContact O-N 3.28Å |
| 71 | T | 72.8 | Confident | 74.1 | Confident | 45 Ų | 45 | 72.4 Ų | 72.4 | 28% | 0.276 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.9 | -38.2 | -178.5 | 52.1 | 0 | 0 | 0 | 0 | 111.9 | E67 V68 T75 | E67-T71 VanDerWaalsContact O-CB 3.31Å; E67-T71 WeakPolarHBondContact O-CB 3.38Å; E67-T71 WeakPolarHBondContact O-CG2 3.21Å; E67-T71 PolarHBondContact O-N 2.96Å; E67-T71 PolarHBondContact O-OG1 3.41Å; V68-T71 WeakPolarHBondContact CA-OG1 3.34Å; V68-T71 PolarHBondContact O-OG1 3.49Å; V68-T71 VanDerWaalsContact O-OG1 3.07Å; T71-T75 VanDerWaalsContact O-CB 3.23Å; T71-T75 WeakPolarHBondContact O-CB 3.4Å; T71-T75 PolarHBondContact O-N 3.19Å; T71-T75 PolarHBondContact O-OG1 3.38Å |
| 72 | R | 74.1 | Confident | 71.8 | Confident | 21 Ų | 21 | 76.3 Ų | 76.3 | 8% | 0.079 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.2 | -45.2 | 176.2 | -67 | -77.9 | 177.1 | -141 | -12.6 | 111.9 | V68 V69 K70 Q76 I131 Y251 | V68-R72 HydrophobicContact CG1-CG 4.36Å; V68-R72 WeakPolarHBondContact O-CB 3.31Å; V68-R72 WeakPolarHBondContact O-CG 3.46Å; V68-R72 PolarHBondContact O-N 3.44Å; V68-R72 VanDerWaalsContact O-N 3.09Å; V69-R72 PolarHBondContact O-N 3.13Å; K70-R72 VanDerWaalsContact C-N 3.33Å; K70-R72 PolarHBondContact O-N 3.11Å; R72-Q76 PolarHBondContact O-N 2.79Å; R72-Q76 VanDerWaalsContact O-N 3.17Å; R72-I131 HydrophobicContact CG-CD1 4.45Å; R72-Y251 VanDerWaalsContact NH2-CE2 3.3Å; R72-Y251 VanDerWaalsContact NH2-CZ 3.26Å; R72-Y251 PolarHBondContact NH2-OH 2.98Å |
| 73 | V | 76.8 | Confident | 69.8 | Low | 27 Ų | 27 | 77 Ų | 77 | 16% | 0.164 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.3 | -47.5 | 176.3 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | V69 K70 T75 Q76 H77 A127 | V69-V73 WeakPolarHBondContact O-CG2 3.33Å; V69-V73 PolarHBondContact O-N 3.31Å; V69-V73 VanDerWaalsContact O-N 3.07Å; K70-V73 PolarHBondContact O-N 2.83Å; V73-T75 PolarHBondContact O-N 3.41Å; V73-Q76 PolarHBondContact O-N 2.93Å; V73-H77 PolarHBondContact O-CD2 3.48Å; V73-H77 PolarHBondContact O-N 3.06Å; V73-A127 HydrophobicContact CG2-CB 3.81Å |
| 74 | Q | 74.8 | Confident | 67.6 | Low | 110 Ų | 110 | 80.5 Ų | 80.5 | 51% | 0.514 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 179.5 | -73.9 | 179.2 | -17.2 | 0 | 0 | 112.5 | K70 Q76 H77 A78 | K70-Q74 VanDerWaalsContact CE-NE2 3.35Å; K70-Q74 HydrophobicContact CG-CG 4.36Å; K70-Q74 WeakPolarHBondContact O-CB 3.27Å; K70-Q74 VanDerWaalsContact O-CG 3.28Å; K70-Q74 WeakPolarHBondContact O-CG 3.33Å; K70-Q74 PolarHBondContact O-N 3.28Å; Q74-Q76 VanDerWaalsContact C-N 3.27Å; Q74-Q76 PolarHBondContact O-N 2.93Å; Q74-H77 PolarHBondContact O-N 3.43Å; Q74-A78 PolarHBondContact O-N 3.14Å; Q74-A78 VanDerWaalsContact O-N 3.15Å |
| 75 | T | 67 | Low | 65.4 | Low | 42 Ų | 42 | 85.5 Ų | 85.5 | 26% | 0.258 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.5 | -35.6 | 179.1 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | T71 V73 A78 I79 | T71-T75 VanDerWaalsContact O-CB 3.23Å; T71-T75 WeakPolarHBondContact O-CB 3.4Å; T71-T75 PolarHBondContact O-N 3.19Å; T71-T75 PolarHBondContact O-OG1 3.38Å; V73-T75 PolarHBondContact O-N 3.41Å; T75-A78 PolarHBondContact O-N 2.84Å; T75-I79 HydrophobicContact CG2-CD1 3.66Å; T75-I79 HydrophobicContact CG2-CG1 4.33Å; T75-I79 VanDerWaalsContact O-CG1 3.25Å; T75-I79 WeakPolarHBondContact O-CG1 3.46Å; T75-I79 PolarHBondContact O-N 3.13Å |
| 76 | Q | 64.4 | Low | 63.2 | Low | 25 Ų | 25 | 87.5 Ų | 87.5 | 12% | 0.117 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 175.6 | -79.9 | -176.6 | -79 | 0 | 0 | 114.1 | R72 V73 Q74 A78 I79 R80 N94 | R72-Q76 PolarHBondContact O-N 2.79Å; R72-Q76 VanDerWaalsContact O-N 3.17Å; V73-Q76 PolarHBondContact O-N 2.93Å; Q74-Q76 VanDerWaalsContact C-N 3.27Å; Q74-Q76 PolarHBondContact O-N 2.93Å; Q76-A78 VanDerWaalsContact C-N 3.29Å; Q76-A78 PolarHBondContact O-N 2.67Å; Q76-I79 PolarHBondContact O-N 3.29Å; Q76-R80 WeakPolarHBondContact O-CB 3.37Å; Q76-R80 PolarHBondContact O-N 3.24Å; Q76-N94 VanDerWaalsContact NE2-CA 3.32Å; Q76-N94 PolarHBondContact NE2-O 3.44Å |
| 77 | H | 61.1 | Low | 60.9 | Low | 116 Ų | 116 | 91.2 Ų | 91.2 | 54% | 0.537 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 177 | -76.2 | -74.1 | 0 | 0 | 0 | 111.5 | V73 Q74 | V73-H77 PolarHBondContact O-CD2 3.48Å; V73-H77 PolarHBondContact O-N 3.06Å; Q74-H77 PolarHBondContact O-N 3.43Å |
| 78 | A | 58.6 | Low | 59.2 | Low | 65 Ų | 65 | 90.9 Ų | 90.9 | 54% | 0.537 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q74 T75 Q76 R80 Q81 R82 | Q74-A78 PolarHBondContact O-N 3.14Å; Q74-A78 VanDerWaalsContact O-N 3.15Å; T75-A78 PolarHBondContact O-N 2.84Å; Q76-A78 VanDerWaalsContact C-N 3.29Å; Q76-A78 PolarHBondContact O-N 2.67Å; A78-R80 VanDerWaalsContact C-N 3.34Å; A78-R80 PolarHBondContact O-N 3.16Å; A78-Q81 PolarHBondContact O-N 3.49Å; A78-R82 PolarHBondContact O-N 3.5Å |
| 79 | I | 54.4 | Low | 57.8 | Low | 53 Ų | 53 | 92.5 Ų | 92.5 | 27% | 0.272 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.3 | -33.1 | -179.7 | -67.9 | 170 | 0 | 0 | 0 | 111.8 | T75 Q76 Q81 R82 Y92 | T75-I79 HydrophobicContact CG2-CD1 3.66Å; T75-I79 HydrophobicContact CG2-CG1 4.33Å; T75-I79 VanDerWaalsContact O-CG1 3.25Å; T75-I79 WeakPolarHBondContact O-CG1 3.46Å; T75-I79 PolarHBondContact O-N 3.13Å; Q76-I79 PolarHBondContact O-N 3.29Å; I79-Q81 PolarHBondContact O-N 3.46Å; I79-R82 PolarHBondContact O-N 3.49Å; I79-Y92 HydrophobicContact CD1-CD1 3.89Å; I79-Y92 HydrophobicContact CD1-CD2 4.33Å; I79-Y92 HydrophobicContact CD1-CG 3.74Å |
| 80 | R | 51.7 | Low | 56.3 | Low | 216 Ų | 216 | 93.8 Ų | 93.8 | 82% | 0.815 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -58.8 | -27.7 | 176.2 | -175.4 | 174.6 | 178.3 | 180 | -1.4 | 112.9 | Q76 A78 | Q76-R80 WeakPolarHBondContact O-CB 3.37Å; Q76-R80 PolarHBondContact O-N 3.24Å; A78-R80 VanDerWaalsContact C-N 3.34Å; A78-R80 PolarHBondContact O-N 3.16Å |
| 81 | Q | 45.1 | Very low | 54.5 | Low | 167 Ų | 167 | 91.5 Ų | 91.5 | 78% | 0.78 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -96.1 | -26.4 | -176.2 | -67.4 | -171.1 | -11.5 | 0 | 0 | 113.9 | A78 I79 | A78-Q81 PolarHBondContact O-N 3.49Å; I79-Q81 PolarHBondContact O-N 3.46Å |
| 82 | R | 41.9 | Very low | 53.4 | Low | 199 Ų | 199 | 92 Ų | 92 | 75% | 0.751 | 47% | 0.465 | S | S | * | . | trans | -151 | 104.7 | 179.9 | -65.7 | -171.3 | -178 | -178.5 | 0.8 | 112.9 | A78 I79 T84 | A78-R82 PolarHBondContact O-N 3.5Å; I79-R82 PolarHBondContact O-N 3.49Å; R82-T84 PolarHBondContact O-N 3.43Å; R82-T84 VanDerWaalsContact O-N 3.15Å | ||
| 83 | P | 46.3 | Very low | 52 | Low | 113 Ų | 113 | 94.7 Ų | 94.7 | 73% | 0.734 | 48% | 0.479 | S | S | * | . | trans | -71.2 | 106.9 | 167.4 | 27.9 | -30.3 | 0 | 0 | 0 | 109.1 | V85 | P83-V85 PolarHBondContact O-N 3.48Š| ||
| 84 | T | 42.3 | Very low | 50.6 | Low | 128 Ų | 128 | 94.8 Ų | 94.8 | 79% | 0.785 | 48% | 0.478 | S | S | * | . | trans | -85.5 | 103 | 178.2 | 40.2 | 0 | 0 | 0 | 0 | 110 | R82 S86 | R82-T84 PolarHBondContact O-N 3.43Å; R82-T84 VanDerWaalsContact O-N 3.15Å; T84-S86 PolarHBondContact O-N 2.91Å; T84-S86 VanDerWaalsContact O-N 3.12Å | ||
| 85 | V | 42.4 | Very low | 49.3 | Very low | 117 Ų | 117 | 89.8 Ų | 89.8 | 71% | 0.709 | 46% | 0.456 | S | S | * | . | trans | -78.2 | 93.4 | 175.1 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | P83 C89 | P83-V85 PolarHBondContact O-N 3.48Å; V85-C89 HydrophobicContact CG1-CB 4.38Å | ||
| 86 | S | 40.1 | Very low | 48.4 | Very low | 61 Ų | 61 | 89.5 Ų | 89.5 | 43% | 0.427 | 45% | 0.453 | S | S | . | . | trans | -74.7 | 159.9 | 164.8 | 104.9 | 0 | 0 | 0 | 0 | 109.3 | T84 L88 C89 | T84-S86 PolarHBondContact O-N 2.91Å; T84-S86 VanDerWaalsContact O-N 3.12Å; S86-L88 CarbonylContact C-O 3.51Å; S86-L88 CarbonylContact O-C 3.47Å; S86-L88 PolarHBondContact O-N 3.43Å; S86-L88 PolarHBondContact OG-N 3.24Å; S86-L88 PolarHBondContact OG-O 3.1Å; S86-C89 PolarHBondContact O-N 3.04Å | ||
| 87 | K | 37.8 | Very low | 47.8 | Very low | 200 Ų | 200 | 88.7 Ų | 88.7 | 87% | 0.87 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -60.6 | -2.6 | 179.1 | -68.4 | -179.2 | 177.5 | 178.7 | 0 | 114.6 | ||
| 88 | L | 46.4 | Very low | 47.2 | Very low | 76 Ų | 76 | 84.2 Ų | 84.2 | 40% | 0.398 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -113.4 | 115.7 | 152.9 | -74.1 | 156.7 | 0 | 0 | 0 | 106.4 | S86 Y90 | S86-L88 CarbonylContact C-O 3.51Å; S86-L88 CarbonylContact O-C 3.47Å; S86-L88 PolarHBondContact O-N 3.43Å; S86-L88 PolarHBondContact OG-N 3.24Å; S86-L88 PolarHBondContact OG-O 3.1Å; L88-Y90 HydrophobicContact CB-CD2 4.34Å; L88-Y90 HydrophobicContact CB-CE2 3.63Å; L88-Y90 VanDerWaalsContact O-CD2 3.25Å; L88-Y90 WeakPolarHBondContact O-CD2 3.42Å; L88-Y90 PolarHBondContact O-N 3.47Å |
| 89 | C | 49.8 | Very low | 46.8 | Very low | 47 Ų | 47 | 83 Ų | 83 | 32% | 0.318 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 102.2 | -174.4 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | V85 S86 C101 | V85-C89 HydrophobicContact CG1-CB 4.38Å; S86-C89 PolarHBondContact O-N 3.04Å; C89-C101 HydrophobicContact CB-CB 3.87Å; C89-C101 PolarHBondContact N-O 2.9Å; C89-C101 WeakPolarHBondContact O-CA 3.27Å; C89-C101 WeakPolarHBondContact O-CB 3.41Å; C89-C101 PolarHBondContact O-N 3.35Å; C89-C101 PolarHBondContact O-SG 3.24Å; C89-C101 VanDerWaalsContact O-SG 3.38Å |
| 90 | Y | 50.6 | Low | 46.8 | Very low | 38 Ų | 38 | 83 Ų | 83 | 15% | 0.149 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 123 | 175.3 | -60.9 | -82.6 | 0 | 0 | 0 | 108.5 | L88 M97 V100 M252 | L88-Y90 HydrophobicContact CB-CD2 4.34Å; L88-Y90 HydrophobicContact CB-CE2 3.63Å; L88-Y90 VanDerWaalsContact O-CD2 3.25Å; L88-Y90 WeakPolarHBondContact O-CD2 3.42Å; L88-Y90 PolarHBondContact O-N 3.47Å; Y90-M97 HydrophobicContact CD1-SD 4.03Å; Y90-V100 HydrophobicContact CD1-CG2 4.42Å; Y90-V100 HydrophobicContact CE1-CG1 4.35Å; Y90-V100 HydrophobicContact CE1-CG2 4.49Å; Y90-M252 HydrophobicContact CE1-CE 3.91Å; Y90-M252 HydrophobicContact CE1-SD 4.15Å; Y90-M252 VanDerWaalsContact OH-CE 3.25Å; Y90-M252 WeakPolarHBondContact OH-CE 3.4Å |
| 91 | V | 47 | Very low | 46.7 | Very low | 56 Ų | 56 | 73 Ų | 73 | 34% | 0.339 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 117 | 175.6 | -175.8 | 0 | 0 | 0 | 0 | 108.5 | T98 H99 C101 | V91-T98 PolarHBondContact O-N 2.91Å; V91-T98 VanDerWaalsContact O-N 3.15Å; V91-T98 PolarHBondContact O-OG1 3Å; V91-H99 HydrophobicContact CB-CB 4.02Å; V91-H99 HydrophobicContact CG2-CB 4.42Å; V91-H99 PolarHBondContact N-O 3.42Å; V91-H99 VanDerWaalsContact N-O 3.07Å; V91-H99 PolarHBondContact O-N 3.32Å; V91-C101 VanDerWaalsContact CG2-SG 3.58Å |
| 92 | Y | 48.4 | Very low | 46.8 | Very low | 56 Ų | 56 | 75.1 Ų | 75.1 | 22% | 0.22 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 118.6 | 175 | -71.5 | -92.4 | 0 | 0 | 0 | 109.1 | I79 L96 M97 E250 | I79-Y92 HydrophobicContact CD1-CD1 3.89Å; I79-Y92 HydrophobicContact CD1-CD2 4.33Å; I79-Y92 HydrophobicContact CD1-CG 3.74Å; Y92-L96 WeakPolarHBondContact CA-O 3.41Å; Y92-M97 HydrophobicContact CD1-CB 4.19Å; Y92-M97 HydrophobicContact CE1-CB 3.88Å; Y92-M97 HydrophobicContact CE1-CG 4.31Å; Y92-E250 VanDerWaalsContact OH-CD 3.29Å; Y92-E250 WeakPolarHBondContact OH-CG 3.48Å; Y92-E250 PolarHBondContact OH-OE1 3.39Å |
| 93 | H | 46 | Very low | 47 | Very low | 77 Ų | 77 | 71 Ų | 71 | 36% | 0.356 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 114.5 | 171.9 | -158.4 | -114 | 0 | 0 | 0 | 108.4 | G95 L96 T98 L118 | H93-G95 PolarHBondContact O-N 2.76Å; H93-L96 PolarHBondContact N-O 3.4Å; H93-L96 PolarHBondContact O-N 3.23Å; H93-T98 HydrophobicContact CB-CG2 3.87Å; H93-T98 VanDerWaalsContact CB-OG1 3.23Å; H93-T98 WeakPolarHBondContact CB-OG1 3.4Å; H93-T98 PolarHBondContact N-OG1 3Å; H93-L118 PolarHBondContact CE1-O 2.96Å |
| 94 | N | 47.5 | Very low | 47 | Very low | 29 Ų | 29 | 69.6 Ų | 69.6 | 16% | 0.155 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 44.6 | 176.3 | -58 | -58.6 | 0 | 0 | 0 | 115.6 | Q76 L96 L118 P120 L121 | Q76-N94 VanDerWaalsContact NE2-CA 3.32Å; Q76-N94 PolarHBondContact NE2-O 3.44Å; N94-L96 PolarHBondContact O-N 2.86Å; N94-L118 HydrophobicContact CB-CB 4.12Å; N94-L118 HydrophobicContact CB-CD2 4.16Å; N94-L118 VanDerWaalsContact ND2-C 3.31Å; N94-L118 WeakPolarHBondContact ND2-CB 3.27Å; N94-L118 PolarHBondContact ND2-O 3.48Å; N94-P120 WeakPolarHBondContact OD1-CA 3.29Å; N94-L121 HydrophobicContact CB-CD1 4.15Å; N94-L121 WeakPolarHBondContact O-CD1 3.45Å |
| 95 | G | 46.8 | Very low | 47.5 | Very low | 5 Ų | 5 | 71.8 Ų | 71.8 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 1.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | H93 | H93-G95 PolarHBondContact O-N 2.76Š|
| 96 | L | 48.5 | Very low | 47.9 | Very low | 36 Ų | 36 | 72.1 Ų | 72.1 | 19% | 0.188 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 140.1 | 167 | -109.6 | 80.7 | 0 | 0 | 0 | 109.6 | Y92 H93 N94 T98 Y251 | Y92-L96 WeakPolarHBondContact CA-O 3.41Å; H93-L96 PolarHBondContact N-O 3.4Å; H93-L96 PolarHBondContact O-N 3.23Å; N94-L96 PolarHBondContact O-N 2.86Å; L96-T98 HydrophobicContact CB-CG2 4.38Å; L96-T98 PolarHBondContact O-N 3.45Å; L96-Y251 HydrophobicContact CG-CE2 4.17Å |
| 97 | M | 51.5 | Low | 48.5 | Very low | 8 Ų | 8 | 72 Ų | 72 | 4% | 0.039 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 113.1 | 169.1 | -171.8 | -178 | 86.1 | 0 | 0 | 108.4 | Y90 Y92 E250 Y251 M252 | Y90-M97 HydrophobicContact CD1-SD 4.03Å; Y92-M97 HydrophobicContact CD1-CB 4.19Å; Y92-M97 HydrophobicContact CE1-CB 3.88Å; Y92-M97 HydrophobicContact CE1-CG 4.31Å; M97-E250 HydrophobicContact SD-CB 4.32Å; M97-Y251 WeakPolarHBondContact CE-O 3.5Å; M97-M252 HydrophobicContact CE-SD 3.99Å; M97-M252 HydrophobicContact SD-SD 4.06Å |
| 98 | T | 47.7 | Very low | 49.4 | Very low | 22 Ų | 22 | 66.7 Ų | 66.7 | 14% | 0.135 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | -28.1 | -174.4 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | V91 H93 L96 | V91-T98 PolarHBondContact O-N 2.91Å; V91-T98 VanDerWaalsContact O-N 3.15Å; V91-T98 PolarHBondContact O-OG1 3Å; H93-T98 HydrophobicContact CB-CG2 3.87Å; H93-T98 VanDerWaalsContact CB-OG1 3.23Å; H93-T98 WeakPolarHBondContact CB-OG1 3.4Å; H93-T98 PolarHBondContact N-OG1 3Å; L96-T98 HydrophobicContact CB-CG2 4.38Å; L96-T98 PolarHBondContact O-N 3.45Å |
| 99 | H | 50.2 | Low | 49.6 | Very low | 38 Ų | 38 | 65.8 Ų | 65.8 | 18% | 0.176 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 146.2 | 176.2 | -51.3 | -101.8 | 0 | 0 | 0 | 113.1 | V91 C107 | V91-H99 HydrophobicContact CB-CB 4.02Å; V91-H99 HydrophobicContact CG2-CB 4.42Å; V91-H99 PolarHBondContact N-O 3.42Å; V91-H99 VanDerWaalsContact N-O 3.07Å; V91-H99 PolarHBondContact O-N 3.32Å; H99-C107 HydrophobicContact CB-CB 4.35Å |
| 100 | V | 55.1 | Low | 49.5 | Very low | 55 Ų | 55 | 67.4 Ų | 67.4 | 33% | 0.333 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 111.3 | 167.3 | -177.6 | 0 | 0 | 0 | 0 | 106.7 | Y90 | Y90-V100 HydrophobicContact CD1-CG2 4.42Å; Y90-V100 HydrophobicContact CE1-CG1 4.35Å; Y90-V100 HydrophobicContact CE1-CG2 4.49Å |
| 101 | C | 50.1 | Low | 49.2 | Very low | 5 Ų | 5 | 71.8 Ų | 71.8 | 3% | 0.034 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 117.6 | 171.5 | -42.8 | 0 | 0 | 0 | 0 | 107.8 | C89 V91 C107 | C89-C101 HydrophobicContact CB-CB 3.87Å; C89-C101 PolarHBondContact N-O 2.9Å; C89-C101 WeakPolarHBondContact O-CA 3.27Å; C89-C101 WeakPolarHBondContact O-CB 3.41Å; C89-C101 PolarHBondContact O-N 3.35Å; C89-C101 PolarHBondContact O-SG 3.24Å; C89-C101 VanDerWaalsContact O-SG 3.38Å; V91-C101 VanDerWaalsContact CG2-SG 3.58Å; C101-C107 HydrophobicContact CB-CB 4.1Å; C101-C107 WeakPolarHBondContact CB-SG 3.25Å; C101-C107 WeakPolarHBondContact SG-CB 3.43Å; C101-C107 CovalentContact SG-SG 2.04Å; C101-C107 PolarHBondContact SG-SG 2.95Å |
| 102 | R | 46.3 | Very low | 49.2 | Very low | 211 Ų | 211 | 73.2 Ų | 73.2 | 80% | 0.796 | 42% | 0.42 | S | S | * | . | trans | -76.3 | 170.5 | 172.8 | -156.1 | 167.9 | 174.6 | 138.8 | -4.2 | 108.2 | S104 | R102-S104 CarbonylContact O-C 3.57Å; R102-S104 PolarHBondContact O-N 3.32Å | ||
| 103 | S | 46.1 | Very low | 49.5 | Very low | 113 Ų | 113 | 76.2 Ų | 76.2 | 79% | 0.79 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -62 | 17.6 | -174.5 | -168.5 | 0 | 0 | 0 | 0 | 116.6 | ||
| 104 | S | 46.1 | Very low | 49.4 | Very low | 83 Ų | 83 | 79.8 Ų | 79.8 | 58% | 0.58 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -131.9 | 142.1 | 171.7 | -52.9 | 0 | 0 | 0 | 0 | 105.4 | R102 I106 | R102-S104 CarbonylContact O-C 3.57Å; R102-S104 PolarHBondContact O-N 3.32Å; S104-I106 PolarHBondContact O-N 3.16Å |
| 105 | D | 52.4 | Low | 49.4 | Very low | 174 Ų | 174 | 80.7 Ų | 80.7 | 93% | 0.93 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -57.6 | 18.6 | -166.1 | -57.5 | -56.7 | 0 | 0 | 0 | 117.7 | ||
| 106 | I | 52 | Low | 49.3 | Very low | 124 Ų | 124 | 89.1 Ų | 89.1 | 64% | 0.636 | 50% | 0.498 | S | S | * | . | trans | -101.8 | 104.8 | -179.6 | -53.1 | 171.2 | 0 | 0 | 0 | 108.9 | S104 V108 | S104-I106 PolarHBondContact O-N 3.16Å; I106-V108 HydrophobicContact CG2-CG2 4.05Å | ||
| 107 | C | 53.5 | Low | 48.9 | Very low | 60 Ų | 60 | 94.5 Ų | 94.5 | 41% | 0.405 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 108.2 | 170.6 | -62.2 | 0 | 0 | 0 | 0 | 109.7 | H99 C101 | H99-C107 HydrophobicContact CB-CB 4.35Å; C101-C107 HydrophobicContact CB-CB 4.1Å; C101-C107 WeakPolarHBondContact CB-SG 3.25Å; C101-C107 WeakPolarHBondContact SG-CB 3.43Å; C101-C107 CovalentContact SG-SG 2.04Å; C101-C107 PolarHBondContact SG-SG 2.95Å |
| 108 | V | 55.6 | Low | 48.9 | Very low | 88 Ų | 88 | 96.6 Ų | 96.6 | 53% | 0.533 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 125.5 | 179.6 | -169.9 | 0 | 0 | 0 | 0 | 108.9 | I106 | I106-V108 HydrophobicContact CG2-CG2 4.05Å |
| 109 | P | 51 | Low | 49.4 | Very low | 57 Ų | 57 | 105.1 Ų | 105.1 | 37% | 0.37 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -62 | 142.8 | 171.4 | 26.4 | -32.2 | 0 | 0 | 0 | 109.5 | P115 | P109-P115 HydrophobicContact CB-CG 4.08Å |
| 110 | K | 48.2 | Very low | 49.8 | Very low | 80 Ų | 80 | 107.7 Ų | 107.7 | 35% | 0.348 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 127.1 | 174.3 | -162.9 | 168.8 | -176.3 | 163.3 | 0 | 108.3 | G112 R113 | K110-G112 PolarHBondContact O-N 3.44Å; K110-R113 PolarHBondContact O-N 3.48Å |
| 111 | P | 42.3 | Very low | 50.3 | Low | 130 Ų | 130 | 106.6 Ų | 106.6 | 84% | 0.844 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | 128.1 | -175.9 | 18.7 | -29.1 | 0 | 0 | 0 | 110.5 | ||
| 112 | G | 48.7 | Very low | 51.2 | Low | 87 Ų | 87 | 118.1 Ų | 118.1 | 90% | 0.897 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.5 | 19.2 | 180 | 0 | 0 | 0 | 0 | 0 | 116.7 | K110 | K110-G112 PolarHBondContact O-N 3.44Š|
| 113 | R | 53.1 | Low | 52.6 | Low | 118 Ų | 118 | 109.4 Ų | 109.4 | 45% | 0.445 | 60% | 0.599 | S | S | . | * | trans | -138.6 | 116.1 | 177.2 | -118.2 | -179.2 | -84.5 | -162 | -11.1 | 111.9 | K110 P115 | K110-R113 PolarHBondContact O-N 3.48Å; R113-P115 WeakPolarHBondContact O-CD 3.43Å | ||
| 114 | D | 43.9 | Very low | 54.3 | Low | 153 Ų | 153 | 106.5 Ų | 106.5 | 82% | 0.818 | 58% | 0.582 | S | S | * | * | trans | -72.8 | 120.5 | 178.4 | -75.3 | -37 | 0 | 0 | 0 | 111.9 | Q116 | D114-Q116 VanDerWaalsContact C-N 3.33Å; D114-Q116 PolarHBondContact O-N 3.25Å | ||
| 115 | P | 49.2 | Very low | 56.1 | Low | 47 Ų | 47 | 109.9 Ų | 109.9 | 31% | 0.305 | 59% | 0.59 | S | S | . | * | trans | -77.5 | -6.8 | -174.5 | -15.7 | 30.4 | 0 | 0 | 0 | 115.9 | P109 R113 N117 | P109-P115 HydrophobicContact CB-CG 4.08Å; R113-P115 WeakPolarHBondContact O-CD 3.43Å; P115-N117 PolarHBondContact O-N 3.1Å | ||
| 116 | Q | 43.5 | Very low | 57.4 | Low | 182 Ų | 182 | 104.4 Ų | 104.4 | 85% | 0.85 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 4.4 | -152.3 | -71.1 | -169.7 | -5.4 | 0 | 0 | 117.5 | D114 | D114-Q116 VanDerWaalsContact C-N 3.33Å; D114-Q116 PolarHBondContact O-N 3.25Å |
| 117 | N | 41.1 | Very low | 58.6 | Low | 149 Ų | 149 | 98.5 Ų | 98.5 | 80% | 0.797 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145 | 29.5 | -171.8 | -120.6 | -19.1 | 0 | 0 | 0 | 117.9 | P115 R119 | P115-N117 PolarHBondContact O-N 3.1Å; N117-R119 PolarHBondContact O-N 2.95Å |
| 118 | L | 51.8 | Low | 60 | Low | 52 Ų | 52 | 99.6 Ų | 99.6 | 27% | 0.272 | 53% | 0.528 | S | S | . | . | trans | -89.2 | 109.8 | 176.9 | -67.2 | 86.7 | 0 | 0 | 0 | 110.7 | H93 N94 | H93-L118 PolarHBondContact CE1-O 2.96Å; N94-L118 HydrophobicContact CB-CB 4.12Å; N94-L118 HydrophobicContact CB-CD2 4.16Å; N94-L118 VanDerWaalsContact ND2-C 3.31Å; N94-L118 WeakPolarHBondContact ND2-CB 3.27Å; N94-L118 PolarHBondContact ND2-O 3.48Å | ||
| 119 | R | 57.4 | Low | 61.3 | Low | 201 Ų | 201 | 99.3 Ų | 99.3 | 76% | 0.758 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 146 | 163.8 | -64.9 | -178.3 | -177.5 | -164.1 | -0.4 | 110.2 | N117 K130 | N117-R119 PolarHBondContact O-N 2.95Å; R119-K130 PolarHBondContact O-NZ 3.28Å |
| 120 | P | 59.1 | Low | 62.4 | Low | 93 Ų | 93 | 99.1 Ų | 99.1 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 142.7 | 174.7 | -24.4 | 33.3 | 0 | 0 | 0 | 112.2 | N94 R122 | N94-P120 WeakPolarHBondContact OD1-CA 3.29Å; P120-R122 PolarHBondContact O-N 3.35Å |
| 121 | L | 64.1 | Low | 63.7 | Low | 31 Ų | 31 | 96.1 Ų | 96.1 | 16% | 0.162 | 51% | 0.508 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 124.2 | 177.8 | -80.2 | 70.9 | 0 | 0 | 0 | 108.6 | N94 D126 A127 K130 | N94-L121 HydrophobicContact CB-CD1 4.15Å; N94-L121 WeakPolarHBondContact O-CD1 3.45Å; L121-D126 VanDerWaalsContact CA-OD2 3.31Å; L121-D126 WeakPolarHBondContact CA-OD2 3.13Å; L121-A127 VanDerWaalsContact CD2-CA 3.41Å; L121-A127 HydrophobicContact CD2-CB 3.32Å; L121-K130 HydrophobicContact CD1-CD 4.07Å |
| 122 | R | 68.8 | Low | 65.5 | Low | 248 Ų | 248 | 92.2 Ų | 92.2 | 94% | 0.936 | 48% | 0.481 | S | S | * | . | trans | -85.5 | -16.4 | -179.9 | -87.2 | -178.5 | 154.9 | -147.5 | -3.6 | 113.3 | P120 D126 | P120-R122 PolarHBondContact O-N 3.35Å; R122-D126 PolarHBondContact N-OD2 2.82Å | ||
| 123 | G | 77 | Confident | 66.9 | Low | 28 Ų | 28 | 93 Ų | 93 | 29% | 0.289 | 47% | 0.472 | S | S | . | . | S | Bend | trans | 176.1 | -176.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | M125 D126 A127 | G123-M125 PolarHBondContact O-N 3.03Å; G123-D126 PolarHBondContact O-N 3.3Å; G123-A127 PolarHBondContact O-N 3.44Å |
| 124 | A | 81.6 | Confident | 67.5 | Low | 52 Ų | 52 | 92 Ų | 92 | 43% | 0.43 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63 | -37.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V69 A127 F128 | V69-A124 HydrophobicContact CG1-CB 3.78Å; V69-A124 WeakPolarHBondContact CG1-O 3.25Å; A124-A127 VanDerWaalsContact O-CB 3.28Å; A124-A127 WeakPolarHBondContact O-CB 3.26Å; A124-A127 PolarHBondContact O-N 3.05Å; A124-F128 PolarHBondContact O-N 3.38Å |
| 125 | M | 83.3 | Confident | 68.7 | Low | 153 Ų | 153 | 87.6 Ų | 87.6 | 75% | 0.754 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -70.2 | -40.3 | 178.5 | -67.5 | -62 | 165 | 0 | 0 | 112.3 | G123 A127 F128 V129 | G123-M125 PolarHBondContact O-N 3.03Å; M125-A127 VanDerWaalsContact C-N 3.28Å; M125-A127 PolarHBondContact O-N 3.42Å; M125-F128 PolarHBondContact O-N 3.49Å; M125-V129 WeakPolarHBondContact O-CG2 3.23Å; M125-V129 PolarHBondContact O-N 3.03Å |
| 126 | D | 80.8 | Confident | 70 | Confident | 59 Ų | 59 | 87 Ų | 87 | 32% | 0.316 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.3 | -37.1 | 172.7 | -179.6 | 40.3 | 0 | 0 | 0 | 110.9 | L121 R122 G123 K130 | L121-D126 VanDerWaalsContact CA-OD2 3.31Å; L121-D126 WeakPolarHBondContact CA-OD2 3.13Å; R122-D126 PolarHBondContact N-OD2 2.82Å; G123-D126 PolarHBondContact O-N 3.3Å; D126-K130 WeakPolarHBondContact O-CB 3.39Å; D126-K130 PolarHBondContact O-N 3.45Å; D126-K130 IonicContact OD2-NZ 3.23Å |
| 127 | A | 76.4 | Confident | 71.7 | Confident | 0 Ų | 0 | 85 Ų | 85 | 0% | 0 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -60.5 | -50.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V69 V73 L121 G123 A124 M125 K130 I131 | V69-A127 HydrophobicContact CG1-CB 4.11Å; V73-A127 HydrophobicContact CG2-CB 3.81Å; L121-A127 VanDerWaalsContact CD2-CA 3.41Å; L121-A127 HydrophobicContact CD2-CB 3.32Å; G123-A127 PolarHBondContact O-N 3.44Å; A124-A127 VanDerWaalsContact O-CB 3.28Å; A124-A127 WeakPolarHBondContact O-CB 3.26Å; A124-A127 PolarHBondContact O-N 3.05Å; M125-A127 VanDerWaalsContact C-N 3.28Å; M125-A127 PolarHBondContact O-N 3.42Å; A127-K130 PolarHBondContact O-N 2.93Å; A127-I131 WeakPolarHBondContact O-CD1 3.38Å; A127-I131 WeakPolarHBondContact O-CG1 3.4Å; A127-I131 PolarHBondContact O-N 2.93Å |
| 128 | F | 83.8 | Confident | 73.4 | Confident | 83 Ų | 83 | 82.5 Ų | 82.5 | 36% | 0.364 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.8 | -52.4 | -178 | 178.9 | -95.7 | 0 | 0 | 0 | 111.6 | V69 A124 M125 K130 I131 V132 L140 | V69-F128 HydrophobicContact CG2-CB 3.96Å; V69-F128 HydrophobicContact CG2-CD2 3.99Å; V69-F128 HydrophobicContact CG2-CG 4.5Å; A124-F128 PolarHBondContact O-N 3.38Å; M125-F128 PolarHBondContact O-N 3.49Å; F128-K130 VanDerWaalsContact C-N 3.34Å; F128-K130 PolarHBondContact O-N 3.4Å; F128-I131 PolarHBondContact O-N 3.41Å; F128-V132 HydrophobicContact CD1-CG2 4.47Å; F128-V132 HydrophobicContact CE1-CG2 4.1Å; F128-V132 HydrophobicContact CE2-CG2 4.37Å; F128-V132 HydrophobicContact CZ-CG2 4.04Å; F128-V132 WeakPolarHBondContact O-CG2 3.39Å; F128-V132 PolarHBondContact O-N 3.3Å; F128-L140 HydrophobicContact CD2-CD1 4.32Å; F128-L140 HydrophobicContact CD2-CD2 3.72Å; F128-L140 HydrophobicContact CE2-CD1 3.55Å; F128-L140 HydrophobicContact CE2-CD2 3.78Å; F128-L140 HydrophobicContact CE2-CG 4.33Å; F128-L140 HydrophobicContact CZ-CD1 4.06Å |
| 129 | V | 81.7 | Confident | 74.3 | Confident | 83 Ų | 83 | 80.4 Ų | 80.4 | 50% | 0.503 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 179.5 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | M125 I131 V132 C133 | M125-V129 WeakPolarHBondContact O-CG2 3.23Å; M125-V129 PolarHBondContact O-N 3.03Å; V129-I131 VanDerWaalsContact C-N 3.33Å; V129-I131 PolarHBondContact O-N 2.9Å; V129-V132 PolarHBondContact O-N 3.38Å; V129-C133 WeakPolarHBondContact O-CB 3.47Å; V129-C133 PolarHBondContact O-N 2.94Å; V129-C133 PolarHBondContact O-SG 2.98Å |
| 130 | K | 75.3 | Confident | 75.3 | Confident | 53 Ų | 53 | 70.9 Ų | 70.9 | 23% | 0.23 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 178.8 | -172.2 | 172.5 | -80.2 | 155.9 | 0 | 112.1 | R119 L121 D126 A127 F128 T134 | R119-K130 PolarHBondContact O-NZ 3.28Å; L121-K130 HydrophobicContact CD1-CD 4.07Å; D126-K130 WeakPolarHBondContact O-CB 3.39Å; D126-K130 PolarHBondContact O-N 3.45Å; D126-K130 IonicContact OD2-NZ 3.23Å; A127-K130 PolarHBondContact O-N 2.93Å; F128-K130 VanDerWaalsContact C-N 3.34Å; F128-K130 PolarHBondContact O-N 3.4Å; K130-T134 WeakPolarHBondContact O-CB 3.25Å; K130-T134 PolarHBondContact O-N 3.45Å; K130-T134 PolarHBondContact O-OG1 2.92Å |
| 131 | I | 74.9 | Confident | 76.4 | Confident | 17 Ų | 17 | 68.7 Ų | 68.7 | 9% | 0.087 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.7 | -49.1 | 176.3 | -68.1 | 159 | 0 | 0 | 0 | 110.6 | V68 V69 R72 A127 F128 V129 C133 T134 S135 L140 | V68-I131 HydrophobicContact CG1-CD1 4.16Å; V69-I131 HydrophobicContact CG2-CD1 4.09Å; R72-I131 HydrophobicContact CG-CD1 4.45Å; A127-I131 WeakPolarHBondContact O-CD1 3.38Å; A127-I131 WeakPolarHBondContact O-CG1 3.4Å; A127-I131 PolarHBondContact O-N 2.93Å; F128-I131 PolarHBondContact O-N 3.41Å; V129-I131 VanDerWaalsContact C-N 3.33Å; V129-I131 PolarHBondContact O-N 2.9Å; I131-C133 PolarHBondContact O-N 2.83Å; I131-T134 PolarHBondContact O-N 3.14Å; I131-S135 PolarHBondContact O-N 3.39Å; I131-L140 HydrophobicContact CB-CD2 4.38Å; I131-L140 HydrophobicContact CG2-CD2 3.88Å; I131-L140 HydrophobicContact CG2-CG 4.09Å |
| 132 | V | 80.1 | Confident | 76.8 | Confident | 47 Ų | 47 | 68.8 Ų | 68.8 | 29% | 0.285 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | -178.9 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | F128 V129 G136 L140 | F128-V132 HydrophobicContact CD1-CG2 4.47Å; F128-V132 HydrophobicContact CE1-CG2 4.1Å; F128-V132 HydrophobicContact CE2-CG2 4.37Å; F128-V132 HydrophobicContact CZ-CG2 4.04Å; F128-V132 WeakPolarHBondContact O-CG2 3.39Å; F128-V132 PolarHBondContact O-N 3.3Å; V129-V132 PolarHBondContact O-N 3.38Å; V132-G136 CarbonylContact O-C 3.05Å; V132-G136 WeakPolarHBondContact O-CA 3.47Å; V132-G136 PolarHBondContact O-N 3.43Å; V132-L140 HydrophobicContact CG2-CD1 3.73Å; V132-L140 HydrophobicContact CG2-CG 4.23Å |
| 133 | C | 77.4 | Confident | 76.9 | Confident | 103 Ų | 103 | 57.9 Ų | 57.9 | 70% | 0.696 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -72.3 | -30.1 | 179.5 | -66.2 | 0 | 0 | 0 | 0 | 113.6 | V129 I131 | V129-C133 WeakPolarHBondContact O-CB 3.47Å; V129-C133 PolarHBondContact O-N 2.94Å; V129-C133 PolarHBondContact O-SG 2.98Å; I131-C133 PolarHBondContact O-N 2.83Å |
| 134 | T | 66.8 | Low | 76.9 | Confident | 98 Ų | 98 | 58 Ų | 58 | 60% | 0.601 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -90.6 | -43.9 | -175.8 | -49.6 | 0 | 0 | 0 | 0 | 112.6 | K130 I131 | K130-T134 WeakPolarHBondContact O-CB 3.25Å; K130-T134 PolarHBondContact O-N 3.45Å; K130-T134 PolarHBondContact O-OG1 2.92Å; I131-T134 PolarHBondContact O-N 3.14Å |
| 135 | S | 68.3 | Low | 76.7 | Confident | 61 Ų | 61 | 59 Ų | 59 | 43% | 0.427 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -109.9 | -1.4 | -172.8 | -59.8 | 0 | 0 | 0 | 0 | 112.9 | I131 | I131-S135 PolarHBondContact O-N 3.39Å |
| 136 | G | 77.7 | Confident | 76.3 | Confident | 34 Ų | 34 | 52.6 Ų | 52.6 | 35% | 0.351 | 32% | 0.318 | S | S | . | . | trans | 72.4 | 178.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V132 S138 G139 | V132-G136 CarbonylContact O-C 3.05Å; V132-G136 WeakPolarHBondContact O-CA 3.47Å; V132-G136 PolarHBondContact O-N 3.43Å; G136-S138 VanDerWaalsContact C-N 3.27Å; G136-S138 PolarHBondContact O-N 2.82Å; G136-G139 PolarHBondContact O-N 2.93Å | ||
| 137 | F | 78.9 | Confident | 76.2 | Confident | 139 Ų | 139 | 50.4 Ų | 50.4 | 61% | 0.61 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -60.4 | -35.1 | 179.8 | -170.5 | -109.6 | 0 | 0 | 0 | 112.8 | G139 L140 W141 | F137-G139 PolarHBondContact O-N 2.93Å; F137-G139 VanDerWaalsContact O-N 3.16Å; F137-L140 HydrophobicContact CD2-CD1 4.1Å; F137-L140 HydrophobicContact CE2-CD1 4.26Å; F137-L140 PolarHBondContact O-N 3.29Å; F137-W141 HydrophobicContact CD1-CH2 4.05Å; F137-W141 AromaticContact CD1-CZ3 3.53Å; F137-W141 HydrophobicContact CD1-CZ3 3.53Å; F137-W141 HydrophobicContact CD2-CZ3 4.27Å; F137-W141 HydrophobicContact CE1-CE3 4.49Å; F137-W141 AromaticContact CE1-CH2 3.31Å; F137-W141 HydrophobicContact CE1-CH2 3.31Å; F137-W141 AromaticContact CE1-CZ3 3.3Å; F137-W141 HydrophobicContact CE1-CZ3 3.3Å; F137-W141 HydrophobicContact CE2-CH2 4.05Å; F137-W141 HydrophobicContact CE2-CZ3 4.08Å; F137-W141 HydrophobicContact CG-CZ3 4.03Å; F137-W141 AromaticContact CZ-CH2 3.33Å; F137-W141 HydrophobicContact CZ-CH2 3.33Å; F137-W141 AromaticContact CZ-CZ3 3.62Å; F137-W141 HydrophobicContact CZ-CZ3 3.62Å; F137-W141 VanDerWaalsContact O-CE3 3.31Å; F137-W141 VanDerWaalsContact O-CZ3 3.27Å; F137-W141 WeakPolarHBondContact O-CZ3 3.39Å |
| 138 | S | 75.9 | Confident | 76.5 | Confident | 97 Ų | 97 | 52.8 Ų | 52.8 | 68% | 0.678 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -64.2 | -19.2 | 176.5 | -173.2 | 0 | 0 | 0 | 0 | 113.6 | G136 L140 W141 | G136-S138 VanDerWaalsContact C-N 3.27Å; G136-S138 PolarHBondContact O-N 2.82Å; S138-L140 PolarHBondContact O-N 2.86Å; S138-W141 PolarHBondContact O-N 3.17Å |
| 139 | G | 71.6 | Confident | 76.5 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 8% | 0.082 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -65 | -23.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G136 F137 W141 A142 | G136-G139 PolarHBondContact O-N 2.93Å; F137-G139 PolarHBondContact O-N 2.93Å; F137-G139 VanDerWaalsContact O-N 3.16Å; G139-W141 VanDerWaalsContact C-N 3.26Å; G139-W141 PolarHBondContact O-N 3.03Å; G139-A142 VanDerWaalsContact O-CB 3.23Å; G139-A142 WeakPolarHBondContact O-CB 3.1Å; G139-A142 PolarHBondContact O-N 3.14Å |
| 140 | L | 78.7 | Confident | 76.6 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -70.9 | -19.9 | 176.3 | -70.2 | 165.1 | 0 | 0 | 0 | 113.2 | P65 V68 V69 F128 I131 V132 F137 S138 | P65-L140 HydrophobicContact CB-CB 4.05Å; P65-L140 HydrophobicContact CB-CD2 4.31Å; P65-L140 HydrophobicContact CG-CB 4.33Å; V68-L140 VanDerWaalsContact CG2-O 3.26Å; V68-L140 WeakPolarHBondContact CG2-O 3.25Å; V69-L140 HydrophobicContact CG2-CD2 4.34Å; F128-L140 HydrophobicContact CD2-CD1 4.32Å; F128-L140 HydrophobicContact CD2-CD2 3.72Å; F128-L140 HydrophobicContact CE2-CD1 3.55Å; F128-L140 HydrophobicContact CE2-CD2 3.78Å; F128-L140 HydrophobicContact CE2-CG 4.33Å; F128-L140 HydrophobicContact CZ-CD1 4.06Å; I131-L140 HydrophobicContact CB-CD2 4.38Å; I131-L140 HydrophobicContact CG2-CD2 3.88Å; I131-L140 HydrophobicContact CG2-CG 4.09Å; V132-L140 HydrophobicContact CG2-CD1 3.73Å; V132-L140 HydrophobicContact CG2-CG 4.23Å; F137-L140 HydrophobicContact CD2-CD1 4.1Å; F137-L140 HydrophobicContact CE2-CD1 4.26Å; F137-L140 PolarHBondContact O-N 3.29Å; S138-L140 PolarHBondContact O-N 2.86Å |
| 141 | W | 81.8 | Confident | 76.9 | Confident | 47 Ų | 47 | 49.2 Ų | 49.2 | 18% | 0.178 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -101.9 | 14.2 | 174.5 | -70 | -89.7 | 0 | 0 | 0 | 112.8 | F61 T64 P65 F137 S138 G139 G143 L144 | F61-W141 AromaticContact CD2-NE1 3.74Å; F61-W141 AromaticContact CE2-NE1 3.71Å; F61-W141 HydrophobicContact CZ-CZ2 4.29Å; F61-W141 PolarHBondContact O-NE1 3.37Å; T64-W141 HydrophobicContact CG2-CB 4.46Å; T64-W141 HydrophobicContact CG2-CG 4.37Å; P65-W141 HydrophobicContact CG-CD2 4.35Å; P65-W141 HydrophobicContact CG-CH2 3.98Å; P65-W141 HydrophobicContact CG-CZ2 3.54Å; F137-W141 HydrophobicContact CD1-CH2 4.05Å; F137-W141 AromaticContact CD1-CZ3 3.53Å; F137-W141 HydrophobicContact CD1-CZ3 3.53Å; F137-W141 HydrophobicContact CD2-CZ3 4.27Å; F137-W141 HydrophobicContact CE1-CE3 4.49Å; F137-W141 AromaticContact CE1-CH2 3.31Å; F137-W141 HydrophobicContact CE1-CH2 3.31Å; F137-W141 AromaticContact CE1-CZ3 3.3Å; F137-W141 HydrophobicContact CE1-CZ3 3.3Å; F137-W141 HydrophobicContact CE2-CH2 4.05Å; F137-W141 HydrophobicContact CE2-CZ3 4.08Å; F137-W141 HydrophobicContact CG-CZ3 4.03Å; F137-W141 AromaticContact CZ-CH2 3.33Å; F137-W141 HydrophobicContact CZ-CH2 3.33Å; F137-W141 AromaticContact CZ-CZ3 3.62Å; F137-W141 HydrophobicContact CZ-CZ3 3.62Å; F137-W141 VanDerWaalsContact O-CE3 3.31Å; F137-W141 VanDerWaalsContact O-CZ3 3.27Å; F137-W141 WeakPolarHBondContact O-CZ3 3.39Å; S138-W141 PolarHBondContact O-N 3.17Å; G139-W141 VanDerWaalsContact C-N 3.26Å; G139-W141 PolarHBondContact O-N 3.03Å; W141-G143 PolarHBondContact O-N 2.97Å; W141-G143 VanDerWaalsContact O-N 3.14Å; W141-L144 HydrophobicContact CB-CB 4.27Å; W141-L144 HydrophobicContact CB-CD2 4.41Å; W141-L144 HydrophobicContact CG-CD2 4.47Å; W141-L144 VanDerWaalsContact O-CB 3.23Å; W141-L144 WeakPolarHBondContact O-CB 3.41Å; W141-L144 PolarHBondContact O-N 3.42Å |
| 142 | A | 71.6 | Confident | 77.5 | Confident | 34 Ų | 34 | 52.3 Ų | 52.3 | 28% | 0.281 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 118.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110 | G139 | G139-A142 VanDerWaalsContact O-CB 3.23Å; G139-A142 WeakPolarHBondContact O-CB 3.1Å; G139-A142 PolarHBondContact O-N 3.14Å |
| 143 | G | 70.8 | Confident | 77.8 | Confident | 19 Ų | 19 | 51.9 Ų | 51.9 | 20% | 0.196 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | 6.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | W141 P146 T147 Q248 | W141-G143 PolarHBondContact O-N 2.97Å; W141-G143 VanDerWaalsContact O-N 3.14Å; G143-P146 WeakPolarHBondContact O-CD 3.31Å; G143-P146 WeakPolarHBondContact O-CG 3.4Å; G143-T147 PolarHBondContact O-N 3.37Å; G143-T147 PolarHBondContact O-OG1 2.84Å; G143-Q248 PolarHBondContact O-NE2 3.05Å |
| 144 | L | 77.3 | Confident | 78.2 | Confident | 30 Ų | 30 | 48.6 Ų | 48.6 | 16% | 0.157 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 171.5 | -178.9 | 66.2 | 0 | 0 | 0 | 111.4 | T60 F61 T64 W141 T147 L148 | T60-L144 HydrophobicContact CG2-CD1 3.7Å; F61-L144 HydrophobicContact CD2-CD2 4.44Å; T64-L144 HydrophobicContact CG2-CB 4.44Å; T64-L144 HydrophobicContact CG2-CD1 4.42Å; T64-L144 WeakPolarHBondContact OG1-CD1 3.45Å; W141-L144 HydrophobicContact CB-CB 4.27Å; W141-L144 HydrophobicContact CB-CD2 4.41Å; W141-L144 HydrophobicContact CG-CD2 4.47Å; W141-L144 VanDerWaalsContact O-CB 3.23Å; W141-L144 WeakPolarHBondContact O-CB 3.41Å; W141-L144 PolarHBondContact O-N 3.42Å; L144-T147 WeakPolarHBondContact O-CA 3.36Å; L144-T147 VanDerWaalsContact O-CB 3.24Å; L144-T147 WeakPolarHBondContact O-CB 3.39Å; L144-T147 PolarHBondContact O-N 2.91Å; L144-L148 HydrophobicContact CD1-CD1 4.16Å; L144-L148 HydrophobicContact CD1-CD2 4Å; L144-L148 HydrophobicContact CD1-CG 4.02Å; L144-L148 HydrophobicContact CD2-CD1 4.24Å; L144-L148 HydrophobicContact CG-CD1 3.81Å; L144-L148 HydrophobicContact CG-CG 4.08Å; L144-L148 WeakPolarHBondContact O-CG 3.45Å; L144-L148 PolarHBondContact O-N 2.54Å |
| 145 | S | 78.1 | Confident | 79.1 | Confident | 73 Ų | 73 | 45.3 Ų | 45.3 | 51% | 0.51 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.5 | -50.3 | -177.6 | 51.1 | 0 | 0 | 0 | 0 | 114.5 | T147 L148 V149 | S145-T147 PolarHBondContact O-N 2.84Å; S145-L148 PolarHBondContact O-N 3.33Å; S145-V149 WeakPolarHBondContact O-CG2 3.27Å; S145-V149 PolarHBondContact O-N 3.29Å; S145-V149 VanDerWaalsContact O-N 3.11Å |
| 146 | P | 75 | Confident | 79.9 | Confident | 18 Ų | 18 | 45.8 Ų | 45.8 | 12% | 0.117 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.8 | -28 | 175.5 | 25.2 | -34.3 | 0 | 0 | 0 | 112.4 | G143 S150 R244 M247 | G143-P146 WeakPolarHBondContact O-CD 3.31Å; G143-P146 WeakPolarHBondContact O-CG 3.4Å; P146-S150 WeakPolarHBondContact O-CB 3.23Å; P146-S150 PolarHBondContact O-N 3Å; P146-S150 PolarHBondContact O-OG 2.67Å; P146-R244 HydrophobicContact CB-CG 4.37Å; P146-M247 HydrophobicContact CB-SD 4.33Å |
| 147 | T | 79.1 | Confident | 80.3 | Confident | 13 Ų | 13 | 46.5 Ų | 46.5 | 8% | 0.08 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.6 | -50.6 | 174.2 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | T60 G143 L144 S145 V149 S150 A151 R244 Q248 | T60-T147 HydrophobicContact CG2-CG2 3.76Å; G143-T147 PolarHBondContact O-N 3.37Å; G143-T147 PolarHBondContact O-OG1 2.84Å; L144-T147 WeakPolarHBondContact O-CA 3.36Å; L144-T147 VanDerWaalsContact O-CB 3.24Å; L144-T147 WeakPolarHBondContact O-CB 3.39Å; L144-T147 PolarHBondContact O-N 2.91Å; S145-T147 PolarHBondContact O-N 2.84Å; T147-V149 VanDerWaalsContact C-N 3.34Å; T147-V149 PolarHBondContact O-N 3Å; T147-S150 PolarHBondContact O-N 3.24Å; T147-S150 PolarHBondContact O-OG 3.22Å; T147-A151 WeakPolarHBondContact O-CB 3.42Å; T147-A151 PolarHBondContact O-N 3.03Å; T147-R244 PolarHBondContact OG1-NE 3.41Å; T147-R244 PolarHBondContact OG1-NH2 3.47Å; T147-Q248 PolarHBondContact OG1-NE2 2.91Å |
| 148 | L | 82.7 | Confident | 80.6 | Confident | 51 Ų | 51 | 42.4 Ų | 42.4 | 27% | 0.267 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | -179.2 | -58.7 | 173.5 | 0 | 0 | 0 | 111.5 | L57 T60 L144 S145 S150 A151 L152 | L57-L148 HydrophobicContact CD2-CB 4.38Å; L57-L148 HydrophobicContact CD2-CD2 3.34Å; L57-L148 HydrophobicContact CD2-CG 4.29Å; T60-L148 HydrophobicContact CG2-CD2 4.11Å; L144-L148 HydrophobicContact CD1-CD1 4.16Å; L144-L148 HydrophobicContact CD1-CD2 4Å; L144-L148 HydrophobicContact CD1-CG 4.02Å; L144-L148 HydrophobicContact CD2-CD1 4.24Å; L144-L148 HydrophobicContact CG-CD1 3.81Å; L144-L148 HydrophobicContact CG-CG 4.08Å; L144-L148 WeakPolarHBondContact O-CG 3.45Å; L144-L148 PolarHBondContact O-N 2.54Å; S145-L148 PolarHBondContact O-N 3.33Å; L148-S150 VanDerWaalsContact C-N 3.31Å; L148-S150 PolarHBondContact O-N 2.87Å; L148-A151 PolarHBondContact O-N 3.49Å; L148-L152 PolarHBondContact O-N 3.38Å |
| 149 | V | 83.9 | Confident | 80.8 | Confident | 104 Ų | 104 | 40 Ų | 40 | 63% | 0.63 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.7 | -39 | 176.5 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | S145 T147 P153 | S145-V149 WeakPolarHBondContact O-CG2 3.27Å; S145-V149 PolarHBondContact O-N 3.29Å; S145-V149 VanDerWaalsContact O-N 3.11Å; T147-V149 VanDerWaalsContact C-N 3.34Å; T147-V149 PolarHBondContact O-N 3Å; V149-P153 WeakPolarHBondContact O-CD 3.2Å |
| 150 | S | 82.4 | Confident | 81.3 | Confident | 12 Ų | 12 | 44.8 Ų | 44.8 | 8% | 0.084 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75 | -25 | 176.1 | 69.4 | 0 | 0 | 0 | 0 | 114.1 | P146 T147 L148 P153 S154 R244 | P146-S150 WeakPolarHBondContact O-CB 3.23Å; P146-S150 PolarHBondContact O-N 3Å; P146-S150 PolarHBondContact O-OG 2.67Å; T147-S150 PolarHBondContact O-N 3.24Å; T147-S150 PolarHBondContact O-OG 3.22Å; L148-S150 VanDerWaalsContact C-N 3.31Å; L148-S150 PolarHBondContact O-N 2.87Å; S150-P153 WeakPolarHBondContact O-CD 3.47Å; S150-P153 WeakPolarHBondContact O-CG 3.41Å; S150-S154 WeakPolarHBondContact O-CB 3.38Å; S150-S154 PolarHBondContact O-N 2.98Å; S150-R244 WeakPolarHBondContact OG-CD 3.27Å |
| 151 | A | 82.9 | Confident | 81.5 | Confident | 27 Ų | 27 | 45.7 Ų | 45.7 | 22% | 0.223 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.7 | -38.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T147 L148 S154 T155 | T147-A151 WeakPolarHBondContact O-CB 3.42Å; T147-A151 PolarHBondContact O-N 3.03Å; L148-A151 PolarHBondContact O-N 3.49Å; A151-S154 WeakPolarHBondContact O-CB 3.3Å; A151-S154 PolarHBondContact O-N 3.21Å; A151-T155 PolarHBondContact O-N 2.68Å; A151-T155 PolarHBondContact O-OG1 3.27Å; A151-T155 VanDerWaalsContact O-OG1 3.1Å |
| 152 | L | 86.1 | Confident | 81.3 | Confident | 82 Ų | 82 | 44.4 Ų | 44.4 | 43% | 0.429 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -55.4 | -59.5 | 179.1 | -70.3 | 171.3 | 0 | 0 | 0 | 113.7 | L53 L148 S154 T155 I156 | L53-L152 HydrophobicContact CD1-CD2 3.8Å; L53-L152 HydrophobicContact CD2-CD2 3.74Å; L53-L152 HydrophobicContact CG-CD2 4.35Å; L148-L152 PolarHBondContact O-N 3.38Å; L152-S154 PolarHBondContact O-N 2.94Å; L152-T155 PolarHBondContact O-N 2.9Å; L152-I156 WeakPolarHBondContact O-CD1 3.32Å; L152-I156 VanDerWaalsContact O-CG1 3.25Å; L152-I156 WeakPolarHBondContact O-CG1 3.3Å; L152-I156 PolarHBondContact O-N 2.98Å; L152-I156 VanDerWaalsContact O-N 3.16Å |
| 153 | P | 87.4 | Confident | 81.5 | Confident | 39 Ų | 39 | 46.4 Ų | 46.4 | 25% | 0.253 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.9 | -32.8 | 178.8 | 25.9 | -34 | 0 | 0 | 0 | 111.3 | V149 S150 I157 I240 | V149-P153 WeakPolarHBondContact O-CD 3.2Å; S150-P153 WeakPolarHBondContact O-CD 3.47Å; S150-P153 WeakPolarHBondContact O-CG 3.41Å; P153-I157 HydrophobicContact CB-CD1 4.44Å; P153-I157 WeakPolarHBondContact O-CB 3.3Å; P153-I157 WeakPolarHBondContact O-CD1 3.32Å; P153-I157 WeakPolarHBondContact O-CG1 3.47Å; P153-I157 PolarHBondContact O-N 3Å; P153-I240 HydrophobicContact CG-CD1 4.28Å |
| 154 | S | 85.3 | Confident | 82 | Confident | 33 Ų | 33 | 53.8 Ų | 53.8 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.2 | -54 | 178.6 | 179.3 | 0 | 0 | 0 | 0 | 112.8 | S150 A151 L152 I156 Y158 I237 | S150-S154 WeakPolarHBondContact O-CB 3.38Å; S150-S154 PolarHBondContact O-N 2.98Å; A151-S154 WeakPolarHBondContact O-CB 3.3Å; A151-S154 PolarHBondContact O-N 3.21Å; L152-S154 PolarHBondContact O-N 2.94Å; S154-I156 PolarHBondContact O-N 2.93Å; S154-Y158 VanDerWaalsContact O-CB 3.31Å; S154-Y158 WeakPolarHBondContact O-CB 3.32Å; S154-Y158 PolarHBondContact O-N 2.97Å; S154-I237 VanDerWaalsContact CA-CD1 3.43Å; S154-I237 WeakPolarHBondContact OG-CD1 3.42Å |
| 155 | T | 84.9 | Confident | 82.1 | Confident | 29 Ų | 29 | 53.3 Ų | 53.3 | 18% | 0.178 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.5 | -43.8 | -179.7 | -57 | 0 | 0 | 0 | 0 | 111.4 | A52 L53 A151 L152 Y158 F159 | A52-T155 HydrophobicContact CB-CG2 4.05Å; L53-T155 HydrophobicContact CD2-CG2 3.84Å; L53-T155 HydrophobicContact CG-CG2 4.03Å; A151-T155 PolarHBondContact O-N 2.68Å; A151-T155 PolarHBondContact O-OG1 3.27Å; A151-T155 VanDerWaalsContact O-OG1 3.1Å; L152-T155 PolarHBondContact O-N 2.9Å; T155-Y158 PolarHBondContact O-N 3.33Å; T155-F159 HydrophobicContact CG2-CD2 3.7Å; T155-F159 HydrophobicContact CG2-CE2 3.64Å; T155-F159 VanDerWaalsContact O-CD2 3.27Å; T155-F159 WeakPolarHBondContact O-CD2 3.21Å; T155-F159 PolarHBondContact O-N 3.42Å |
| 156 | I | 85.9 | Confident | 81.7 | Confident | 72 Ų | 72 | 52.9 Ų | 52.9 | 37% | 0.369 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.9 | -51.1 | -179.6 | -67 | 166.2 | 0 | 0 | 0 | 110.8 | V49 L152 S154 Y158 F159 L160 | V49-I156 HydrophobicContact CG1-CG1 4.01Å; L152-I156 WeakPolarHBondContact O-CD1 3.32Å; L152-I156 VanDerWaalsContact O-CG1 3.25Å; L152-I156 WeakPolarHBondContact O-CG1 3.3Å; L152-I156 PolarHBondContact O-N 2.98Å; L152-I156 VanDerWaalsContact O-N 3.16Å; S154-I156 PolarHBondContact O-N 2.93Å; I156-Y158 VanDerWaalsContact C-N 3.28Å; I156-Y158 PolarHBondContact O-N 2.95Å; I156-F159 PolarHBondContact O-N 3.43Å; I156-L160 HydrophobicContact CG2-CD1 3.72Å; I156-L160 HydrophobicContact CG2-CG 4.35Å; I156-L160 WeakPolarHBondContact O-CB 3.13Å; I156-L160 VanDerWaalsContact O-CG 3.27Å; I156-L160 WeakPolarHBondContact O-CG 3.34Å; I156-L160 PolarHBondContact O-N 3.05Å |
| 157 | I | 87.1 | Confident | 81.4 | Confident | 48 Ų | 48 | 55 Ų | 55 | 25% | 0.246 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.4 | -40 | -179.5 | -64.3 | 166.1 | 0 | 0 | 0 | 109.9 | P153 T161 V233 A236 | P153-I157 HydrophobicContact CB-CD1 4.44Å; P153-I157 WeakPolarHBondContact O-CB 3.3Å; P153-I157 WeakPolarHBondContact O-CD1 3.32Å; P153-I157 WeakPolarHBondContact O-CG1 3.47Å; P153-I157 PolarHBondContact O-N 3Å; I157-T161 WeakPolarHBondContact O-CB 3.29Å; I157-T161 PolarHBondContact O-N 3.19Å; I157-T161 PolarHBondContact O-OG1 2.9Å; I157-V233 HydrophobicContact CB-CG2 4.49Å; I157-V233 HydrophobicContact CG2-CG2 3.86Å; I157-A236 HydrophobicContact CD1-CB 4.04Å |
| 158 | Y | 83.8 | Confident | 81.2 | Confident | 53 Ų | 53 | 56.7 Ų | 56.7 | 21% | 0.208 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.4 | -51.7 | 178.8 | 176.9 | -99 | 0 | 0 | 0 | 112.9 | S154 T155 I156 T161 Y162 S229 V233 | S154-Y158 VanDerWaalsContact O-CB 3.31Å; S154-Y158 WeakPolarHBondContact O-CB 3.32Å; S154-Y158 PolarHBondContact O-N 2.97Å; T155-Y158 PolarHBondContact O-N 3.33Å; I156-Y158 VanDerWaalsContact C-N 3.28Å; I156-Y158 PolarHBondContact O-N 2.95Å; Y158-T161 PolarHBondContact O-N 3.33Å; Y158-Y162 WeakPolarHBondContact O-CB 3.35Å; Y158-Y162 PolarHBondContact O-N 3.32Å; Y158-S229 PolarHBondContact O-OG 3.11Å; Y158-V233 VanDerWaalsContact CA-CG2 3.42Å; Y158-V233 HydrophobicContact CD2-CG2 4.15Å |
| 159 | F | 80.8 | Confident | 80.8 | Confident | 47 Ų | 47 | 56.7 Ų | 56.7 | 21% | 0.206 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.6 | -44.4 | -180 | -81.6 | -72.4 | 0 | 0 | 0 | 112 | V49 A52 T155 I156 T161 Y162 E163 | V49-F159 HydrophobicContact CG2-CB 3.77Å; V49-F159 HydrophobicContact CG2-CD2 4Å; V49-F159 HydrophobicContact CG2-CG 3.99Å; A52-F159 HydrophobicContact CB-CD2 4.44Å; A52-F159 HydrophobicContact CB-CE2 3.32Å; A52-F159 HydrophobicContact CB-CZ 3.62Å; T155-F159 HydrophobicContact CG2-CD2 3.7Å; T155-F159 HydrophobicContact CG2-CE2 3.64Å; T155-F159 VanDerWaalsContact O-CD2 3.27Å; T155-F159 WeakPolarHBondContact O-CD2 3.21Å; T155-F159 PolarHBondContact O-N 3.42Å; I156-F159 PolarHBondContact O-N 3.43Å; F159-T161 VanDerWaalsContact C-N 3.32Å; F159-T161 PolarHBondContact O-N 3.44Å; F159-Y162 PolarHBondContact O-N 3.42Å; F159-E163 WeakPolarHBondContact O-CB 3.31Å; F159-E163 VanDerWaalsContact O-CG 3.3Å; F159-E163 WeakPolarHBondContact O-CG 3.34Å; F159-E163 PolarHBondContact O-N 2.94Å |
| 160 | L | 82.9 | Confident | 80.1 | Confident | 108 Ų | 108 | 52 Ų | 52 | 57% | 0.565 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -59.3 | -45.6 | 177.6 | -70.7 | 175.7 | 0 | 0 | 0 | 111.6 | I156 Y164 | I156-L160 HydrophobicContact CG2-CD1 3.72Å; I156-L160 HydrophobicContact CG2-CG 4.35Å; I156-L160 WeakPolarHBondContact O-CB 3.13Å; I156-L160 VanDerWaalsContact O-CG 3.27Å; I156-L160 WeakPolarHBondContact O-CG 3.34Å; I156-L160 PolarHBondContact O-N 3.05Å; L160-Y164 VanDerWaalsContact O-CB 3.26Å; L160-Y164 WeakPolarHBondContact O-CB 3.06Å; L160-Y164 PolarHBondContact O-N 3.03Å |
| 161 | T | 82.3 | Confident | 79.4 | Confident | 21 Ų | 21 | 54.2 Ų | 54.2 | 13% | 0.129 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -72.1 | -39.3 | -177.9 | -50.5 | 0 | 0 | 0 | 0 | 111.3 | I157 Y158 F159 Y164 I165 I232 | I157-T161 WeakPolarHBondContact O-CB 3.29Å; I157-T161 PolarHBondContact O-N 3.19Å; I157-T161 PolarHBondContact O-OG1 2.9Å; Y158-T161 PolarHBondContact O-N 3.33Å; F159-T161 VanDerWaalsContact C-N 3.32Å; F159-T161 PolarHBondContact O-N 3.44Å; T161-Y164 PolarHBondContact O-N 2.99Å; T161-I165 HydrophobicContact CG2-CD1 3.61Å; T161-I165 HydrophobicContact CG2-CG1 4.24Å; T161-I165 WeakPolarHBondContact O-CB 3.09Å; T161-I165 VanDerWaalsContact O-CG1 3.23Å; T161-I165 WeakPolarHBondContact O-CG1 3.4Å; T161-I165 PolarHBondContact O-N 3.2Å; T161-I232 HydrophobicContact CG2-CB 3.95Å; T161-I232 HydrophobicContact CG2-CD1 3.61Å; T161-I232 HydrophobicContact CG2-CG1 4.41Å; T161-I232 HydrophobicContact CG2-CG2 3.86Å |
| 162 | Y | 77.5 | Confident | 79 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 8% | 0.078 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.2 | -50.2 | 176.4 | 177.1 | -94.8 | 0 | 0 | 0 | 111.4 | Y158 F159 Y164 I165 K166 S229 W292 | Y158-Y162 WeakPolarHBondContact O-CB 3.35Å; Y158-Y162 PolarHBondContact O-N 3.32Å; F159-Y162 PolarHBondContact O-N 3.42Å; Y162-Y164 VanDerWaalsContact C-N 3.34Å; Y162-Y164 PolarHBondContact O-N 2.75Å; Y162-I165 PolarHBondContact O-N 3.04Å; Y162-K166 HydrophobicContact CD1-CD 4.47Å; Y162-K166 HydrophobicContact CE1-CD 3.65Å; Y162-K166 WeakPolarHBondContact O-CB 3.43Å; Y162-K166 PolarHBondContact O-N 2.65Å; Y162-S229 PolarHBondContact N-OG 2.97Å; Y162-W292 HydrophobicContact CE2-CH2 4.45Å; Y162-W292 AromaticContact CE2-CZ2 3.88Å; Y162-W292 HydrophobicContact CE2-CZ2 3.88Å; Y162-W292 WeakPolarHBondContact OH-CH2 3.38Å |
| 163 | E | 75.9 | Confident | 78.3 | Confident | 75 Ų | 75 | 56.5 Ų | 56.5 | 35% | 0.35 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 178.6 | -71.9 | -63.7 | 124.4 | 0 | 0 | 111.2 | F159 N167 | F159-E163 WeakPolarHBondContact O-CB 3.31Å; F159-E163 VanDerWaalsContact O-CG 3.3Å; F159-E163 WeakPolarHBondContact O-CG 3.34Å; F159-E163 PolarHBondContact O-N 2.94Å; E163-N167 WeakPolarHBondContact O-CB 3.23Å; E163-N167 PolarHBondContact O-N 3.43Å |
| 164 | Y | 79.9 | Confident | 77.3 | Confident | 174 Ų | 174 | 57.8 Ų | 57.8 | 68% | 0.682 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.2 | -50.8 | 177 | -179.2 | -96.8 | 0 | 0 | 0 | 112.2 | L160 T161 Y162 N167 S168 | L160-Y164 VanDerWaalsContact O-CB 3.26Å; L160-Y164 WeakPolarHBondContact O-CB 3.06Å; L160-Y164 PolarHBondContact O-N 3.03Å; T161-Y164 PolarHBondContact O-N 2.99Å; Y162-Y164 VanDerWaalsContact C-N 3.34Å; Y162-Y164 PolarHBondContact O-N 2.75Å; Y164-N167 PolarHBondContact O-N 3.21Å; Y164-S168 WeakPolarHBondContact O-CB 3.18Å; Y164-S168 PolarHBondContact O-N 2.89Å |
| 165 | I | 80.5 | Confident | 76.7 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 11% | 0.108 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.1 | -41.1 | -177.1 | -65.8 | 174.7 | 0 | 0 | 0 | 111.1 | T161 Y162 N167 S168 L169 C228 I232 | T161-I165 HydrophobicContact CG2-CD1 3.61Å; T161-I165 HydrophobicContact CG2-CG1 4.24Å; T161-I165 WeakPolarHBondContact O-CB 3.09Å; T161-I165 VanDerWaalsContact O-CG1 3.23Å; T161-I165 WeakPolarHBondContact O-CG1 3.4Å; T161-I165 PolarHBondContact O-N 3.2Å; Y162-I165 PolarHBondContact O-N 3.04Å; I165-N167 VanDerWaalsContact C-N 3.33Å; I165-N167 PolarHBondContact O-N 2.9Å; I165-S168 PolarHBondContact O-N 2.89Å; I165-L169 HydrophobicContact CG2-CD1 3.67Å; I165-L169 HydrophobicContact CG2-CG 4.11Å; I165-L169 WeakPolarHBondContact O-CB 3.24Å; I165-L169 WeakPolarHBondContact O-CG 3.42Å; I165-L169 PolarHBondContact O-N 2.76Å; I165-C228 HydrophobicContact CD1-CB 3.7Å; I165-C228 HydrophobicContact CG2-CB 4.3Å; I165-I232 HydrophobicContact CD1-CD1 3.76Å |
| 166 | K | 69.3 | Low | 76 | Confident | 63 Ų | 63 | 61.5 Ų | 61.5 | 27% | 0.274 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.5 | -45 | 176.5 | -179.3 | 179.4 | 176.2 | -176.6 | 0 | 110.9 | Y162 S170 | Y162-K166 HydrophobicContact CD1-CD 4.47Å; Y162-K166 HydrophobicContact CE1-CD 3.65Å; Y162-K166 WeakPolarHBondContact O-CB 3.43Å; Y162-K166 PolarHBondContact O-N 2.65Å; K166-S170 VanDerWaalsContact O-CB 3.25Å; K166-S170 WeakPolarHBondContact O-CB 3.13Å; K166-S170 PolarHBondContact O-N 2.94Å; K166-S170 PolarHBondContact O-OG 2.97Å |
| 167 | N | 68.4 | Low | 75.1 | Confident | 62 Ų | 62 | 61.7 Ų | 61.7 | 33% | 0.332 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 177.2 | -170.5 | 51.5 | 0 | 0 | 0 | 111.3 | E163 Y164 I165 S170 H171 | E163-N167 WeakPolarHBondContact O-CB 3.23Å; E163-N167 PolarHBondContact O-N 3.43Å; Y164-N167 PolarHBondContact O-N 3.21Å; I165-N167 VanDerWaalsContact C-N 3.33Å; I165-N167 PolarHBondContact O-N 2.9Å; N167-S170 PolarHBondContact O-N 3.37Å; N167-H171 WeakPolarHBondContact O-CB 3.39Å; N167-H171 PolarHBondContact O-N 3.26Å |
| 168 | S | 75.6 | Confident | 74.1 | Confident | 50 Ų | 50 | 66.1 Ų | 66.1 | 35% | 0.35 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 177.2 | -171.2 | 0 | 0 | 0 | 0 | 112.5 | Y164 I165 H171 I172 | Y164-S168 WeakPolarHBondContact O-CB 3.18Å; Y164-S168 PolarHBondContact O-N 2.89Å; I165-S168 PolarHBondContact O-N 2.89Å; S168-H171 PolarHBondContact O-N 3.4Å; S168-I172 WeakPolarHBondContact O-CD1 3.41Å; S168-I172 VanDerWaalsContact O-CG1 3.25Å; S168-I172 WeakPolarHBondContact O-CG1 3.47Å; S168-I172 PolarHBondContact O-N 2.97Å |
| 169 | L | 73.8 | Confident | 73.2 | Confident | 50 Ų | 50 | 71.7 Ų | 71.7 | 26% | 0.262 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.5 | -38.8 | -179.9 | -74.4 | 173.7 | 0 | 0 | 0 | 112.1 | I165 H171 I172 Y173 V221 A224 | I165-L169 HydrophobicContact CG2-CD1 3.67Å; I165-L169 HydrophobicContact CG2-CG 4.11Å; I165-L169 WeakPolarHBondContact O-CB 3.24Å; I165-L169 WeakPolarHBondContact O-CG 3.42Å; I165-L169 PolarHBondContact O-N 2.76Å; L169-H171 VanDerWaalsContact C-N 3.33Å; L169-I172 PolarHBondContact O-N 3.32Å; L169-Y173 WeakPolarHBondContact O-CB 3.29Å; L169-Y173 PolarHBondContact O-N 3.44Å; L169-V221 HydrophobicContact CB-CG1 4.07Å; L169-A224 HydrophobicContact CD1-CB 4.04Å |
| 170 | S | 68.7 | Low | 72.2 | Confident | 5 Ų | 5 | 76.6 Ų | 76.6 | 4% | 0.035 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 175.9 | -55.7 | 0 | 0 | 0 | 0 | 110.9 | K166 N167 Y173 L174 | K166-S170 VanDerWaalsContact O-CB 3.25Å; K166-S170 WeakPolarHBondContact O-CB 3.13Å; K166-S170 PolarHBondContact O-N 2.94Å; K166-S170 PolarHBondContact O-OG 2.97Å; N167-S170 PolarHBondContact O-N 3.37Å; S170-Y173 PolarHBondContact O-N 3.47Å; S170-L174 VanDerWaalsContact O-CG 3.27Å; S170-L174 WeakPolarHBondContact O-CG 3.38Å; S170-L174 PolarHBondContact O-N 2.91Å |
| 171 | H | 69.4 | Low | 70.9 | Confident | 59 Ų | 59 | 77.6 Ų | 77.6 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 175.3 | -175.5 | -86.6 | 0 | 0 | 0 | 111.8 | N167 S168 L169 Y173 L174 V175 | N167-H171 WeakPolarHBondContact O-CB 3.39Å; N167-H171 PolarHBondContact O-N 3.26Å; S168-H171 PolarHBondContact O-N 3.4Å; L169-H171 VanDerWaalsContact C-N 3.33Å; H171-Y173 VanDerWaalsContact C-N 3.33Å; H171-Y173 PolarHBondContact O-N 3.45Å; H171-L174 PolarHBondContact O-N 3.16Å; H171-V175 VanDerWaalsContact O-CG2 3.31Å; H171-V175 WeakPolarHBondContact O-CG2 3.47Å; H171-V175 PolarHBondContact O-N 3.05Å |
| 172 | I | 73.6 | Confident | 69.4 | Low | 90 Ų | 90 | 80.5 Ų | 80.5 | 46% | 0.462 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.8 | -46 | 177 | -68.7 | 163.4 | 0 | 0 | 0 | 110.7 | S168 L169 L174 V175 S176 | S168-I172 WeakPolarHBondContact O-CD1 3.41Å; S168-I172 VanDerWaalsContact O-CG1 3.25Å; S168-I172 WeakPolarHBondContact O-CG1 3.47Å; S168-I172 PolarHBondContact O-N 2.97Å; L169-I172 PolarHBondContact O-N 3.32Å; I172-L174 PolarHBondContact O-N 3.21Å; I172-V175 PolarHBondContact O-N 2.81Å; I172-S176 PolarHBondContact O-N 3.31Å; I172-S176 PolarHBondContact O-OG 3.42Å; I172-S176 VanDerWaalsContact O-OG 3.14Å |
| 173 | Y | 70.8 | Confident | 67.9 | Low | 67 Ų | 67 | 82.2 Ų | 82.2 | 26% | 0.263 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 179.6 | -179.5 | -105.6 | 0 | 0 | 0 | 112.7 | L169 S170 H171 S176 Q177 L217 P218 Y220 | L169-Y173 WeakPolarHBondContact O-CB 3.29Å; L169-Y173 PolarHBondContact O-N 3.44Å; S170-Y173 PolarHBondContact O-N 3.47Å; H171-Y173 VanDerWaalsContact C-N 3.33Å; H171-Y173 PolarHBondContact O-N 3.45Å; Y173-S176 PolarHBondContact O-N 3.05Å; Y173-Q177 PolarHBondContact O-N 3.09Å; Y173-L217 HydrophobicContact CD1-CD1 4.21Å; Y173-P218 HydrophobicContact CD1-CG 4.46Å; Y173-P218 HydrophobicContact CD2-CG 3.98Å; Y173-P218 VanDerWaalsContact CE1-CD 3.49Å; Y173-P218 HydrophobicContact CE1-CG 4.04Å; Y173-P218 HydrophobicContact CE2-CG 3.55Å; Y173-P218 HydrophobicContact CG-CG 4.42Å; Y173-Y220 WeakPolarHBondContact CD2-OH 3.48Å; Y173-Y220 WeakPolarHBondContact CE2-OH 3.27Å |
| 174 | L | 68 | Low | 66.6 | Low | 66 Ų | 66 | 86.2 Ų | 86.2 | 35% | 0.346 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.8 | -35 | 178.5 | -68 | 172.4 | 0 | 0 | 0 | 112.6 | T31 S170 H171 I172 Q177 K178 | T31-L174 HydrophobicContact CG2-CD1 4.25Å; S170-L174 VanDerWaalsContact O-CG 3.27Å; S170-L174 WeakPolarHBondContact O-CG 3.38Å; S170-L174 PolarHBondContact O-N 2.91Å; H171-L174 PolarHBondContact O-N 3.16Å; I172-L174 PolarHBondContact O-N 3.21Å; L174-Q177 PolarHBondContact O-N 3.23Å; L174-K178 PolarHBondContact O-N 3.2Å; L174-K178 VanDerWaalsContact O-N 3.16Å |
| 175 | V | 71 | Confident | 64.9 | Low | 74 Ų | 74 | 86.6 Ų | 86.6 | 45% | 0.448 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.4 | -43.3 | 174.4 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | H171 I172 Q177 K178 F179 | H171-V175 VanDerWaalsContact O-CG2 3.31Å; H171-V175 WeakPolarHBondContact O-CG2 3.47Å; H171-V175 PolarHBondContact O-N 3.05Å; I172-V175 PolarHBondContact O-N 2.81Å; V175-Q177 VanDerWaalsContact C-N 3.31Å; V175-Q177 PolarHBondContact O-N 3.22Å; V175-K178 PolarHBondContact O-N 3.29Å; V175-F179 PolarHBondContact O-N 3.4Å; V175-F179 VanDerWaalsContact O-N 3.13Å |
| 176 | S | 69.9 | Low | 63.2 | Low | 66 Ų | 66 | 92.7 Ų | 92.7 | 46% | 0.462 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.2 | -41 | 175.4 | -64.8 | 0 | 0 | 0 | 0 | 111.9 | I172 Y173 K178 F179 E180 | I172-S176 PolarHBondContact O-N 3.31Å; I172-S176 PolarHBondContact O-OG 3.42Å; I172-S176 VanDerWaalsContact O-OG 3.14Å; Y173-S176 PolarHBondContact O-N 3.05Å; S176-K178 PolarHBondContact O-N 3.01Å; S176-F179 WeakPolarHBondContact O-CB 3.19Å; S176-F179 PolarHBondContact O-N 3.41Å; S176-E180 PolarHBondContact O-N 3.49Å; S176-E180 VanDerWaalsContact O-N 3.14Å |
| 177 | Q | 68.7 | Low | 61.7 | Low | 77 Ų | 77 | 98.1 Ų | 98.1 | 36% | 0.36 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 177.3 | -169.7 | 178.8 | 6.3 | 0 | 0 | 112.5 | Y173 L174 V175 F179 E180 E181 | Y173-Q177 PolarHBondContact O-N 3.09Å; L174-Q177 PolarHBondContact O-N 3.23Å; V175-Q177 VanDerWaalsContact C-N 3.31Å; V175-Q177 PolarHBondContact O-N 3.22Å; Q177-F179 VanDerWaalsContact C-N 3.27Å; Q177-F179 PolarHBondContact O-N 2.92Å; Q177-E180 PolarHBondContact O-N 2.89Å; Q177-E181 PolarHBondContact O-N 2.93Å; Q177-E181 VanDerWaalsContact O-N 3.13Å |
| 178 | K | 66 | Low | 60.3 | Low | 141 Ų | 141 | 101.9 Ų | 101.9 | 61% | 0.613 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.2 | -34.2 | 174.4 | -86.7 | -174.3 | 175.6 | -179.6 | 0 | 113 | L174 V175 S176 S182 | L174-K178 PolarHBondContact O-N 3.2Å; L174-K178 VanDerWaalsContact O-N 3.16Å; V175-K178 PolarHBondContact O-N 3.29Å; S176-K178 PolarHBondContact O-N 3.01Å; K178-S182 WeakPolarHBondContact O-CB 3.31Å; K178-S182 PolarHBondContact O-N 3.37Å; K178-S182 VanDerWaalsContact O-N 3.11Å; K178-S182 PolarHBondContact O-OG 3.23Å |
| 179 | F | 63.9 | Low | 58.6 | Low | 170 Ų | 170 | 105.3 Ų | 105.3 | 75% | 0.746 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.4 | -37.7 | 178.8 | -144.6 | -91.5 | 0 | 0 | 0 | 111.4 | V175 S176 Q177 S182 G183 | V175-F179 PolarHBondContact O-N 3.4Å; V175-F179 VanDerWaalsContact O-N 3.13Å; S176-F179 WeakPolarHBondContact O-CB 3.19Å; S176-F179 PolarHBondContact O-N 3.41Å; Q177-F179 VanDerWaalsContact C-N 3.27Å; Q177-F179 PolarHBondContact O-N 2.92Å; F179-S182 PolarHBondContact O-N 3.46Å; F179-G183 PolarHBondContact O-N 2.97Å |
| 180 | E | 59.8 | Low | 56.9 | Low | 149 Ų | 149 | 106.6 Ų | 106.6 | 70% | 0.696 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69 | -37.1 | 177.5 | -156.2 | 157.1 | 176.1 | 0 | 0 | 112.2 | S176 Q177 S182 M184 | S176-E180 PolarHBondContact O-N 3.49Å; S176-E180 VanDerWaalsContact O-N 3.14Å; Q177-E180 PolarHBondContact O-N 2.89Å; E180-S182 VanDerWaalsContact C-N 3.32Å; E180-S182 PolarHBondContact O-N 3.07Å; E180-M184 PolarHBondContact O-N 3.28Å |
| 181 | E | 55.1 | Low | 55.3 | Low | 130 Ų | 130 | 111.7 Ų | 111.7 | 61% | 0.607 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.3 | -29.9 | 171.3 | -73.1 | -176.5 | 163.3 | 0 | 0 | 113.2 | Q177 | Q177-E181 PolarHBondContact O-N 2.93Å; Q177-E181 VanDerWaalsContact O-N 3.13Å |
| 182 | S | 51.6 | Low | 53.7 | Low | 81 Ų | 81 | 117.2 Ų | 117.2 | 57% | 0.566 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -79.5 | -32.8 | 179.3 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | K178 F179 E180 | K178-S182 WeakPolarHBondContact O-CB 3.31Å; K178-S182 PolarHBondContact O-N 3.37Å; K178-S182 VanDerWaalsContact O-N 3.11Å; K178-S182 PolarHBondContact O-OG 3.23Å; F179-S182 PolarHBondContact O-N 3.46Å; E180-S182 VanDerWaalsContact C-N 3.32Å; E180-S182 PolarHBondContact O-N 3.07Å |
| 183 | G | 45.7 | Very low | 51.9 | Low | 56 Ų | 56 | 116.7 Ų | 116.7 | 58% | 0.577 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -76.6 | -16.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | F179 K185 | F179-G183 PolarHBondContact O-N 2.97Å; G183-K185 VanDerWaalsContact C-N 3.31Å; G183-K185 PolarHBondContact O-N 3.3Å |
| 184 | M | 48 | Very low | 49.8 | Very low | 160 Ų | 160 | 117 Ų | 117 | 79% | 0.788 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -4.4 | 179.1 | -164 | 73.5 | 84.2 | 0 | 0 | 113.3 | E180 | E180-M184 PolarHBondContact O-N 3.28Š|
| 185 | K | 44.8 | Very low | 48 | Very low | 181 Ų | 181 | 121.4 Ų | 121.4 | 79% | 0.787 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -4 | -174.8 | -85.1 | -176.6 | 176 | 176.7 | 0 | 116.5 | G183 Q187 | G183-K185 VanDerWaalsContact C-N 3.31Å; G183-K185 PolarHBondContact O-N 3.3Å; K185-Q187 PolarHBondContact O-N 3.05Å |
| 186 | D | 44.5 | Very low | 46.7 | Very low | 150 Ų | 150 | 123.8 Ų | 123.8 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -93.1 | 18.4 | -172.4 | -73.9 | -32.3 | 0 | 0 | 0 | 115.7 | ||
| 187 | Q | 39.3 | Very low | 45.2 | Very low | 176 Ų | 176 | 128.2 Ų | 128.2 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | -133.5 | 73.5 | -179.1 | -159.6 | 138.6 | 71.9 | 0 | 0 | 114.7 | K185 | K185-Q187 PolarHBondContact O-N 3.05Š| ||
| 188 | V | 38.7 | Very low | 43.4 | Very low | 142 Ų | 142 | 132 Ų | 132 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | -146 | 105.3 | 145.3 | -172.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 189 | P | 38.7 | Very low | 42.1 | Very low | 121 Ų | 121 | 134 Ų | 134 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | -94.5 | 123.4 | 166 | 19.4 | -3.6 | 0 | 0 | 0 | 111.2 | ||||
| 190 | G | 39.5 | Very low | 40.9 | Very low | 78 Ų | 78 | 130.5 Ų | 130.5 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 86.4 | 104.8 | 144.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 191 | A | 33.7 | Very low | 39.9 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 93% | 0.926 | 79% | 0.789 | S | S | * | * | trans | -158.2 | 95.6 | 142.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 192 | D | 35.9 | Very low | 39.1 | Very low | 175 Ų | 175 | 134.2 Ų | 134.2 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | trans | -103.8 | 136.4 | 171.4 | -165.9 | 12.7 | 0 | 0 | 0 | 108.8 | ||||
| 193 | G | 36.5 | Very low | 38 | Very low | 79 Ų | 79 | 133.3 Ų | 133.3 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | 148.6 | 85.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 194 | G | 27.5 | Very low | 37.7 | Very low | 74 Ų | 74 | 137.3 Ų | 137.3 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | trans | 163.6 | 134.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 195 | D | 29.8 | Very low | 37 | Very low | 158 Ų | 158 | 138 Ų | 138 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -56.7 | 160.6 | -164.6 | -68.1 | -66.8 | 0 | 0 | 0 | 120 | L197 | D195-L197 PolarHBondContact O-N 2.97Š| ||
| 196 | P | 44 | Very low | 36.6 | Very low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -96.9 | 53.9 | -164.8 | 38 | -32.1 | 0 | 0 | 0 | 114.7 | ||
| 197 | L | 38.1 | Very low | 36.1 | Very low | 158 Ų | 158 | 133.1 Ų | 133.1 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -155.6 | 59.1 | 179.2 | -150.5 | 77.7 | 0 | 0 | 0 | 115 | D195 | D195-L197 PolarHBondContact O-N 2.97Š|
| 198 | D | 30.6 | Very low | 35.8 | Very low | 157 Ų | 157 | 128.4 Ų | 128.4 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -173.4 | 36.2 | 147.4 | -112.3 | -16.6 | 0 | 0 | 0 | 113.9 | A200 | D198-A200 PolarHBondContact O-N 3.45Š| ||
| 199 | Q | 38 | Very low | 35.5 | Very low | 182 Ų | 182 | 127.4 Ų | 127.4 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 49.9 | -177.2 | -156.3 | 155.5 | 29.6 | 0 | 0 | 113.1 | ||
| 200 | A | 38.1 | Very low | 35 | Very low | 98 Ų | 98 | 126 Ų | 126 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | -7.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D198 | D198-A200 PolarHBondContact O-N 3.45Š|
| 201 | T | 39.8 | Very low | 34.6 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -131.5 | -3.2 | -167.5 | -41.1 | 0 | 0 | 0 | 0 | 115.8 | ||
| 202 | R | 39.1 | Very low | 34.9 | Very low | 232 Ų | 232 | 128.5 Ų | 128.5 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | trans | -146.8 | 106.7 | 171.5 | -82.5 | -170.8 | 172.9 | 151.3 | -2.2 | 111.9 | ||||
| 203 | G | 28.5 | Very low | 35 | Very low | 63 Ų | 63 | 124 Ų | 124 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -178.6 | 89.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 204 | I | 39.3 | Very low | 35.1 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | trans | 82.8 | 77.2 | 157.3 | -49.7 | 176.3 | 0 | 0 | 0 | 115.1 | V206 | I204-V206 HydrophobicContact CG2-CB 3.39Å; I204-V206 HydrophobicContact CG2-CG2 3.29Å; I204-V206 VanDerWaalsContact CG2-N 3.3Å; I204-V206 PolarHBondContact O-N 3.39Å | ||
| 205 | N | 32.7 | Very low | 35.8 | Very low | 174 Ų | 174 | 126.1 Ų | 126.1 | 93% | 0.93 | 76% | 0.76 | S | S | * | * | trans | -70.8 | 60.7 | 141.3 | -69.3 | -10.5 | 0 | 0 | 0 | 109 | S207 | N205-S207 PolarHBondContact O-N 3.39Š| ||
| 206 | V | 36.5 | Very low | 36.9 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | trans | -77.8 | 105.3 | 153.6 | 163.7 | 0 | 0 | 0 | 0 | 102.8 | I204 A208 | I204-V206 HydrophobicContact CG2-CB 3.39Å; I204-V206 HydrophobicContact CG2-CG2 3.29Å; I204-V206 VanDerWaalsContact CG2-N 3.3Å; I204-V206 PolarHBondContact O-N 3.39Å; V206-A208 PolarHBondContact O-N 3.07Å | ||
| 207 | S | 33.4 | Very low | 37.6 | Very low | 110 Ų | 110 | 120.1 Ų | 120.1 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | trans | -22.4 | 105.9 | 175.9 | -82.8 | 0 | 0 | 0 | 0 | 110.8 | N205 T209 | N205-S207 PolarHBondContact O-N 3.39Å; S207-T209 PolarHBondContact O-N 2.87Å | ||
| 208 | A | 34.2 | Very low | 38.9 | Very low | 77 Ų | 77 | 113.6 Ų | 113.6 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -33.3 | 126.9 | 152.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | V206 A210 | V206-A208 PolarHBondContact O-N 3.07Å; A208-A210 PolarHBondContact O-N 3.15Å |
| 209 | T | 32 | Very low | 40.8 | Very low | 121 Ų | 121 | 112.9 Ų | 112.9 | 74% | 0.742 | 68% | 0.682 | S | S | * | * | trans | 48.7 | 74 | 141.9 | 59.8 | 0 | 0 | 0 | 0 | 113.2 | S207 P211 | S207-T209 PolarHBondContact O-N 2.87Å; T209-P211 WeakPolarHBondContact O-CD 3.08Å; T209-P211 VanDerWaalsContact O-N 3.09Å | ||
| 210 | A | 27.8 | Very low | 42.4 | Very low | 93 Ų | 93 | 109.5 Ų | 109.5 | 77% | 0.769 | 66% | 0.662 | S | S | * | * | trans | -53.6 | 118.4 | 144.4 | 0 | 0 | 0 | 0 | 0 | 104.9 | A208 V212 | A208-A210 PolarHBondContact O-N 3.15Å; A210-V212 PolarHBondContact O-N 2.84Å | ||
| 211 | P | 31 | Very low | 44 | Very low | 94 Ų | 94 | 105.1 Ų | 105.1 | 61% | 0.61 | 63% | 0.625 | S | S | * | * | trans | -59.7 | 135.4 | -179.1 | 27.1 | -32.8 | 0 | 0 | 0 | 106.3 | T209 S213 | T209-P211 WeakPolarHBondContact O-CD 3.08Å; T209-P211 VanDerWaalsContact O-N 3.09Å; P211-S213 PolarHBondContact O-N 3.27Å | ||
| 212 | V | 40.5 | Very low | 45.6 | Very low | 148 Ų | 148 | 100 Ų | 100 | 90% | 0.897 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -66 | 61.1 | 157.8 | -176.3 | 0 | 0 | 0 | 0 | 106.9 | A210 | A210-V212 PolarHBondContact O-N 2.84Š|
| 213 | S | 38.7 | Very low | 47.4 | Very low | 80 Ų | 80 | 90.8 Ų | 90.8 | 56% | 0.559 | 56% | 0.562 | S | S | * | * | trans | -119.8 | 112.6 | 176.5 | -87.1 | 0 | 0 | 0 | 0 | 105.2 | P211 | P211-S213 PolarHBondContact O-N 3.27Š| ||
| 214 | T | 37.7 | Very low | 49.7 | Very low | 132 Ų | 132 | 89.5 Ų | 89.5 | 81% | 0.81 | 55% | 0.545 | S | S | * | . | trans | 69.2 | 57.4 | 172.3 | 72.2 | 0 | 0 | 0 | 0 | 115.1 | S216 | T214-S216 PolarHBondContact O-N 3.15Š| ||
| 215 | A | 43 | Very low | 51.4 | Low | 66 Ų | 66 | 82.9 Ų | 82.9 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | trans | -60.4 | 92.9 | 149.5 | 0 | 0 | 0 | 0 | 0 | 107 | L217 | A215-L217 PolarHBondContact O-N 2.98Š| ||
| 216 | S | 52 | Low | 53.6 | Low | 97 Ų | 97 | 74.6 Ų | 74.6 | 68% | 0.678 | 47% | 0.467 | S | S | * | . | trans | -66.1 | 105 | 178.1 | 48.4 | 0 | 0 | 0 | 0 | 107.1 | T214 | T214-S216 PolarHBondContact O-N 3.15Š| ||
| 217 | L | 58.9 | Low | 55.9 | Low | 58 Ų | 58 | 71.8 Ų | 71.8 | 30% | 0.304 | 45% | 0.447 | S | S | . | . | trans | -51.4 | 125.6 | -179.5 | -157 | 74.9 | 0 | 0 | 0 | 108.4 | Y173 A215 V221 | Y173-L217 HydrophobicContact CD1-CD1 4.21Å; A215-L217 PolarHBondContact O-N 2.98Å; L217-V221 HydrophobicContact CD1-CG1 4.47Å; L217-V221 HydrophobicContact CD2-CB 4Å; L217-V221 HydrophobicContact CD2-CG1 3.54Å; L217-V221 HydrophobicContact CG-CB 3.99Å; L217-V221 HydrophobicContact CG-CG1 3.95Å; L217-V221 HydrophobicContact CG-CG2 4.28Å | ||
| 218 | P | 66.1 | Low | 58.4 | Low | 21 Ų | 21 | 69.4 Ų | 69.4 | 14% | 0.136 | 43% | 0.43 | C | S | . | . | trans | -66.9 | 150.8 | -169.3 | 25.2 | -34.2 | 0 | 0 | 0 | 111 | Y173 Y220 V221 P222 | Y173-P218 HydrophobicContact CD1-CG 4.46Å; Y173-P218 HydrophobicContact CD2-CG 3.98Å; Y173-P218 VanDerWaalsContact CE1-CD 3.49Å; Y173-P218 HydrophobicContact CE1-CG 4.04Å; Y173-P218 HydrophobicContact CE2-CG 3.55Å; Y173-P218 HydrophobicContact CG-CG 4.42Å; P218-Y220 HydrophobicContact CB-CD1 3.82Å; P218-Y220 HydrophobicContact CB-CE1 3.38Å; P218-Y220 HydrophobicContact CG-CD1 4.24Å; P218-Y220 HydrophobicContact CG-CE1 3.56Å; P218-Y220 HydrophobicContact CG-CE2 3.92Å; P218-Y220 WeakPolarHBondContact CG-OH 3.41Å; P218-Y220 PolarHBondContact O-N 3.01Å; P218-V221 HydrophobicContact CG-CG2 3.8Å; P218-V221 PolarHBondContact O-N 3.39Å; P218-P222 VanDerWaalsContact O-CD 3.31Å; P218-P222 WeakPolarHBondContact O-CD 3.34Å | ||
| 219 | Y | 68.6 | Low | 60.7 | Low | 142 Ų | 142 | 65.8 Ų | 65.8 | 56% | 0.557 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -27.8 | -170.3 | 75.5 | -89 | 0 | 0 | 0 | 114.5 | P222 M223 | Y219-P222 WeakPolarHBondContact O-CD 3.06Å; Y219-P222 WeakPolarHBondContact O-CG 3.42Å; Y219-M223 HydrophobicContact CD2-SD 3.8Å; Y219-M223 HydrophobicContact CE2-SD 4.31Å; Y219-M223 WeakPolarHBondContact O-CG 3.37Å |
| 220 | Y | 72.1 | Confident | 63.2 | Low | 112 Ų | 112 | 63.5 Ų | 63.5 | 44% | 0.439 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -75.9 | -20.9 | -179 | 60.2 | -101.7 | 0 | 0 | 0 | 113.5 | Y173 P218 M223 A224 | Y173-Y220 WeakPolarHBondContact CD2-OH 3.48Å; Y173-Y220 WeakPolarHBondContact CE2-OH 3.27Å; P218-Y220 HydrophobicContact CB-CD1 3.82Å; P218-Y220 HydrophobicContact CB-CE1 3.38Å; P218-Y220 HydrophobicContact CG-CD1 4.24Å; P218-Y220 HydrophobicContact CG-CE1 3.56Å; P218-Y220 HydrophobicContact CG-CE2 3.92Å; P218-Y220 WeakPolarHBondContact CG-OH 3.41Å; P218-Y220 PolarHBondContact O-N 3.01Å; Y220-M223 PolarHBondContact O-N 3.02Å; Y220-A224 WeakPolarHBondContact O-CB 3.37Å; Y220-A224 PolarHBondContact O-N 2.93Å |
| 221 | V | 73.3 | Confident | 66 | Low | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.03 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.9 | -52.4 | -179.5 | 175.6 | 0 | 0 | 0 | 0 | 112.2 | L169 L217 P218 M223 A224 S225 | L169-V221 HydrophobicContact CB-CG1 4.07Å; L217-V221 HydrophobicContact CD1-CG1 4.47Å; L217-V221 HydrophobicContact CD2-CB 4Å; L217-V221 HydrophobicContact CD2-CG1 3.54Å; L217-V221 HydrophobicContact CG-CB 3.99Å; L217-V221 HydrophobicContact CG-CG1 3.95Å; L217-V221 HydrophobicContact CG-CG2 4.28Å; P218-V221 HydrophobicContact CG-CG2 3.8Å; P218-V221 PolarHBondContact O-N 3.39Å; V221-M223 VanDerWaalsContact C-N 3.29Å; V221-M223 PolarHBondContact O-N 3.48Å; V221-A224 PolarHBondContact O-N 3.31Å; V221-S225 WeakPolarHBondContact O-CB 3.41Å; V221-S225 PolarHBondContact O-N 3.46Å; V221-S225 PolarHBondContact O-OG 3.11Å |
| 222 | P | 72.9 | Confident | 68.8 | Low | 16 Ų | 16 | 60.4 Ų | 60.4 | 10% | 0.104 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.1 | -35.9 | 174.6 | 23.3 | -32 | 0 | 0 | 0 | 112.1 | P218 Y219 S225 G226 W292 | P218-P222 VanDerWaalsContact O-CD 3.31Å; P218-P222 WeakPolarHBondContact O-CD 3.34Å; Y219-P222 WeakPolarHBondContact O-CD 3.06Å; Y219-P222 WeakPolarHBondContact O-CG 3.42Å; P222-S225 WeakPolarHBondContact CA-OG 3.42Å; P222-S225 PolarHBondContact O-OG 3.37Å; P222-G226 PolarHBondContact O-N 3.22Å; P222-W292 HydrophobicContact CB-CE3 4.2Å |
| 223 | M | 75.4 | Confident | 71.1 | Confident | 40 Ų | 40 | 53.6 Ų | 53.6 | 20% | 0.197 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.7 | -50.8 | 176.8 | -68.4 | 176.3 | 65.5 | 0 | 0 | 112.5 | Y219 Y220 V221 S225 G226 I227 W292 A293 | Y219-M223 HydrophobicContact CD2-SD 3.8Å; Y219-M223 HydrophobicContact CE2-SD 4.31Å; Y219-M223 WeakPolarHBondContact O-CG 3.37Å; Y220-M223 PolarHBondContact O-N 3.02Å; V221-M223 VanDerWaalsContact C-N 3.29Å; V221-M223 PolarHBondContact O-N 3.48Å; M223-S225 VanDerWaalsContact C-N 3.35Å; M223-S225 PolarHBondContact O-N 2.89Å; M223-G226 PolarHBondContact O-N 2.97Å; M223-I227 VanDerWaalsContact O-CG1 3.31Å; M223-I227 WeakPolarHBondContact O-CG1 3.49Å; M223-I227 PolarHBondContact O-N 3.26Å; M223-W292 HydrophobicContact CG-CB 3.96Å; M223-A293 HydrophobicContact CE-CB 3.57Å; M223-A293 HydrophobicContact SD-CB 3.7Å |
| 224 | A | 77.8 | Confident | 73.4 | Confident | 36 Ų | 36 | 50 Ų | 50 | 30% | 0.298 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L169 Y220 V221 G226 I227 C228 | L169-A224 HydrophobicContact CD1-CB 4.04Å; Y220-A224 WeakPolarHBondContact O-CB 3.37Å; Y220-A224 PolarHBondContact O-N 2.93Å; V221-A224 PolarHBondContact O-N 3.31Å; A224-G226 VanDerWaalsContact C-N 3.33Å; A224-G226 PolarHBondContact O-N 3.16Å; A224-I227 PolarHBondContact O-N 3.24Å; A224-C228 WeakPolarHBondContact O-CB 3.4Å; A224-C228 PolarHBondContact O-N 2.78Å; A224-C228 PolarHBondContact O-SG 3.14Å |
| 225 | S | 75 | Confident | 75.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 175.3 | 71 | 0 | 0 | 0 | 0 | 112.7 | V221 P222 M223 S229 | V221-S225 WeakPolarHBondContact O-CB 3.41Å; V221-S225 PolarHBondContact O-N 3.46Å; V221-S225 PolarHBondContact O-OG 3.11Å; P222-S225 WeakPolarHBondContact CA-OG 3.42Å; P222-S225 PolarHBondContact O-OG 3.37Å; M223-S225 VanDerWaalsContact C-N 3.35Å; M223-S225 PolarHBondContact O-N 2.89Å; S225-S229 WeakPolarHBondContact O-CB 3.22Å; S225-S229 PolarHBondContact O-N 2.93Å |
| 226 | G | 78.9 | Confident | 78 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -49.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | P222 M223 A224 R230 | P222-G226 PolarHBondContact O-N 3.22Å; M223-G226 PolarHBondContact O-N 2.97Å; A224-G226 VanDerWaalsContact C-N 3.33Å; A224-G226 PolarHBondContact O-N 3.16Å; G226-R230 VanDerWaalsContact O-CB 3.24Å; G226-R230 WeakPolarHBondContact O-CB 3.24Å; G226-R230 PolarHBondContact O-N 2.7Å |
| 227 | I | 84.8 | Confident | 79.7 | Confident | 59 Ų | 59 | 40.7 Ų | 40.7 | 30% | 0.303 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.8 | -52.4 | 179.7 | -68.4 | 166.1 | 0 | 0 | 0 | 110.8 | M223 A224 S229 R230 T231 A285 | M223-I227 VanDerWaalsContact O-CG1 3.31Å; M223-I227 WeakPolarHBondContact O-CG1 3.49Å; M223-I227 PolarHBondContact O-N 3.26Å; A224-I227 PolarHBondContact O-N 3.24Å; I227-S229 PolarHBondContact O-N 3.03Å; I227-R230 WeakPolarHBondContact O-CB 3.43Å; I227-R230 PolarHBondContact O-N 3.22Å; I227-T231 PolarHBondContact O-N 3.45Å; I227-T231 PolarHBondContact O-OG1 3.04Å; I227-T231 VanDerWaalsContact O-OG1 3.11Å; I227-A285 HydrophobicContact CG2-CB 4.2Å |
| 228 | C | 85.7 | Confident | 81.1 | Confident | 60 Ų | 60 | 38.3 Ų | 38.3 | 41% | 0.405 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.5 | -42 | -178.1 | -65.5 | 0 | 0 | 0 | 0 | 111.8 | I165 A224 T231 I232 | I165-C228 HydrophobicContact CD1-CB 3.7Å; I165-C228 HydrophobicContact CG2-CB 4.3Å; A224-C228 WeakPolarHBondContact O-CB 3.4Å; A224-C228 PolarHBondContact O-N 2.78Å; A224-C228 PolarHBondContact O-SG 3.14Å; C228-T231 PolarHBondContact O-N 3.09Å; C228-I232 WeakPolarHBondContact O-CD1 3.43Å; C228-I232 WeakPolarHBondContact O-CG1 3.48Å; C228-I232 PolarHBondContact O-N 2.89Å; C228-I232 VanDerWaalsContact O-N 3.16Å |
| 229 | S | 82.3 | Confident | 82 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.9 | -46.2 | 174.7 | 178 | 0 | 0 | 0 | 0 | 111.1 | Y158 Y162 S225 I227 T231 I232 V233 | Y158-S229 PolarHBondContact O-OG 3.11Å; Y162-S229 PolarHBondContact N-OG 2.97Å; S225-S229 WeakPolarHBondContact O-CB 3.22Å; S225-S229 PolarHBondContact O-N 2.93Å; I227-S229 PolarHBondContact O-N 3.03Å; S229-T231 VanDerWaalsContact C-N 3.33Å; S229-T231 PolarHBondContact O-N 3.36Å; S229-I232 PolarHBondContact O-N 2.98Å; S229-V233 VanDerWaalsContact O-CB 3.29Å; S229-V233 WeakPolarHBondContact O-CB 3.35Å; S229-V233 WeakPolarHBondContact O-CG2 3.41Å; S229-V233 PolarHBondContact O-N 3.36Å |
| 230 | R | 84.6 | Confident | 82.7 | Confident | 73 Ų | 73 | 34.9 Ų | 34.9 | 28% | 0.275 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -57.9 | -43.8 | 178 | -160.5 | 86.8 | 174.4 | 138.3 | 10.1 | 111.8 | G226 I227 V233 V234 D284 | G226-R230 VanDerWaalsContact O-CB 3.24Å; G226-R230 WeakPolarHBondContact O-CB 3.24Å; G226-R230 PolarHBondContact O-N 2.7Å; I227-R230 WeakPolarHBondContact O-CB 3.43Å; I227-R230 PolarHBondContact O-N 3.22Å; R230-V233 PolarHBondContact O-N 3.3Å; R230-V234 WeakPolarHBondContact O-CB 3.38Å; R230-V234 WeakPolarHBondContact O-CG2 3.19Å; R230-V234 PolarHBondContact O-N 3.03Å; R230-D284 HydrophobicContact CG-CB 4.06Å; R230-D284 IonicContact CZ-OD2 3.41Å; R230-D284 IonicContact NE-OD2 3.65Å; R230-D284 IonicContact NH2-OD2 3.94Å; R230-D284 PolarHBondContact NH2-OD2 2.83Å |
| 231 | T | 87.7 | Confident | 83.1 | Confident | 41 Ų | 41 | 31.8 Ų | 31.8 | 25% | 0.252 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.8 | -42.7 | 178.7 | -56.5 | 0 | 0 | 0 | 0 | 112.4 | I227 C228 S229 T235 V281 | I227-T231 PolarHBondContact O-N 3.45Å; I227-T231 PolarHBondContact O-OG1 3.04Å; I227-T231 VanDerWaalsContact O-OG1 3.11Å; C228-T231 PolarHBondContact O-N 3.09Å; S229-T231 VanDerWaalsContact C-N 3.33Å; S229-T231 PolarHBondContact O-N 3.36Å; T231-T235 WeakPolarHBondContact O-CB 3.36Å; T231-T235 PolarHBondContact O-N 3.48Å; T231-T235 PolarHBondContact O-OG1 3.07Å; T231-V281 HydrophobicContact CG2-CG1 4.32Å |
| 232 | I | 88.8 | Confident | 83.3 | Confident | 82 Ų | 82 | 32.9 Ų | 32.9 | 42% | 0.421 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -66.3 | -46.1 | 178.9 | -69.9 | 161.2 | 0 | 0 | 0 | 110.6 | T161 I165 C228 S229 T235 A236 | T161-I232 HydrophobicContact CG2-CB 3.95Å; T161-I232 HydrophobicContact CG2-CD1 3.61Å; T161-I232 HydrophobicContact CG2-CG1 4.41Å; T161-I232 HydrophobicContact CG2-CG2 3.86Å; I165-I232 HydrophobicContact CD1-CD1 3.76Å; C228-I232 WeakPolarHBondContact O-CD1 3.43Å; C228-I232 WeakPolarHBondContact O-CG1 3.48Å; C228-I232 PolarHBondContact O-N 2.89Å; C228-I232 VanDerWaalsContact O-N 3.16Å; S229-I232 PolarHBondContact O-N 2.98Å; I232-T235 WeakPolarHBondContact O-CB 3.5Å; I232-T235 PolarHBondContact O-N 3.3Å; I232-A236 PolarHBondContact O-N 2.84Å |
| 233 | V | 88.6 | Confident | 83.5 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.024 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.9 | -53.5 | 176.8 | 167.2 | 0 | 0 | 0 | 0 | 110.7 | I157 Y158 S229 R230 T235 A236 I237 | I157-V233 HydrophobicContact CB-CG2 4.49Å; I157-V233 HydrophobicContact CG2-CG2 3.86Å; Y158-V233 VanDerWaalsContact CA-CG2 3.42Å; Y158-V233 HydrophobicContact CD2-CG2 4.15Å; S229-V233 VanDerWaalsContact O-CB 3.29Å; S229-V233 WeakPolarHBondContact O-CB 3.35Å; S229-V233 WeakPolarHBondContact O-CG2 3.41Å; S229-V233 PolarHBondContact O-N 3.36Å; R230-V233 PolarHBondContact O-N 3.3Å; V233-T235 VanDerWaalsContact C-N 3.27Å; V233-T235 PolarHBondContact O-N 3.09Å; V233-A236 PolarHBondContact O-N 3.43Å; V233-A236 VanDerWaalsContact O-N 3.15Å; V233-I237 HydrophobicContact CB-CD1 4.33Å; V233-I237 HydrophobicContact CG1-CD1 3.32Å; V233-I237 WeakPolarHBondContact O-CB 3.24Å; V233-I237 WeakPolarHBondContact O-CD1 3.26Å; V233-I237 VanDerWaalsContact O-CG1 3.24Å; V233-I237 WeakPolarHBondContact O-CG1 3.23Å; V233-I237 PolarHBondContact O-N 3.41Å |
| 234 | V | 87.2 | Confident | 83.6 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.03 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.9 | -43.8 | 177.7 | 167.9 | 0 | 0 | 0 | 0 | 110.6 | R230 A236 I237 T238 T280 V281 D284 | R230-V234 WeakPolarHBondContact O-CB 3.38Å; R230-V234 WeakPolarHBondContact O-CG2 3.19Å; R230-V234 PolarHBondContact O-N 3.03Å; V234-A236 VanDerWaalsContact C-N 3.34Å; V234-A236 PolarHBondContact O-N 3.48Å; V234-I237 PolarHBondContact O-N 3.32Å; V234-T238 WeakPolarHBondContact O-CB 3.32Å; V234-T238 PolarHBondContact O-N 2.9Å; V234-T238 PolarHBondContact O-OG1 3.38Å; V234-T280 HydrophobicContact CG1-CG2 3.59Å; V234-T280 HydrophobicContact CG2-CG2 4.39Å; V234-V281 HydrophobicContact CB-CG2 4.27Å; V234-V281 HydrophobicContact CG1-CG2 3.6Å; V234-D284 HydrophobicContact CG2-CB 4.05Å |
| 235 | T | 88.9 | Confident | 83.3 | Confident | 51 Ų | 51 | 38 Ų | 38 | 31% | 0.313 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.7 | -41.1 | 179.8 | -55.2 | 0 | 0 | 0 | 0 | 112.4 | T231 I232 V233 W274 W277 | T231-T235 WeakPolarHBondContact O-CB 3.36Å; T231-T235 PolarHBondContact O-N 3.48Å; T231-T235 PolarHBondContact O-OG1 3.07Å; I232-T235 WeakPolarHBondContact O-CB 3.5Å; I232-T235 PolarHBondContact O-N 3.3Å; V233-T235 VanDerWaalsContact C-N 3.27Å; V233-T235 PolarHBondContact O-N 3.09Å; T235-W274 PolarHBondContact O-NE1 3.38Å; T235-W277 PolarHBondContact OG1-NE1 2.73Å |
| 236 | A | 88.6 | Confident | 83.1 | Confident | 46 Ų | 46 | 40.8 Ų | 40.8 | 38% | 0.38 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -71.6 | -33.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I157 I232 V233 V234 | I157-A236 HydrophobicContact CD1-CB 4.04Å; I232-A236 PolarHBondContact O-N 2.84Å; V233-A236 PolarHBondContact O-N 3.43Å; V233-A236 VanDerWaalsContact O-N 3.15Å; V234-A236 VanDerWaalsContact C-N 3.34Å; V234-A236 PolarHBondContact O-N 3.48Å |
| 237 | I | 87.7 | Confident | 82.5 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -95.3 | -24.7 | -170.7 | -62.8 | 157.6 | 0 | 0 | 0 | 112.8 | S154 V233 V234 P239 I240 E241 | S154-I237 VanDerWaalsContact CA-CD1 3.43Å; S154-I237 WeakPolarHBondContact OG-CD1 3.42Å; V233-I237 HydrophobicContact CB-CD1 4.33Å; V233-I237 HydrophobicContact CG1-CD1 3.32Å; V233-I237 WeakPolarHBondContact O-CB 3.24Å; V233-I237 WeakPolarHBondContact O-CD1 3.26Å; V233-I237 VanDerWaalsContact O-CG1 3.24Å; V233-I237 WeakPolarHBondContact O-CG1 3.23Å; V233-I237 PolarHBondContact O-N 3.41Å; V234-I237 PolarHBondContact O-N 3.32Å; I237-P239 VanDerWaalsContact C-N 3.3Å; I237-P239 VanDerWaalsContact O-N 3.08Å; I237-I240 WeakPolarHBondContact O-CA 3.43Å; I237-I240 WeakPolarHBondContact O-CB 3.31Å; I237-I240 PolarHBondContact O-N 3.45Å; I237-E241 HydrophobicContact CG2-CG 3.76Å; I237-E241 PolarHBondContact O-N 3.28Å |
| 238 | T | 87.4 | Confident | 81.6 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.043 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -41.2 | -47.6 | 179.3 | -61.7 | 0 | 0 | 0 | 0 | 114.1 | V234 I240 E241 M242 W274 W277 | V234-T238 WeakPolarHBondContact O-CB 3.32Å; V234-T238 PolarHBondContact O-N 2.9Å; V234-T238 PolarHBondContact O-OG1 3.38Å; T238-I240 VanDerWaalsContact C-N 3.35Å; T238-I240 PolarHBondContact O-N 3.21Å; T238-E241 PolarHBondContact O-N 2.93Å; T238-M242 PolarHBondContact O-N 3.42Å; T238-W274 HydrophobicContact CG2-CG 4.47Å; T238-W277 HydrophobicContact CG2-CB 4.21Å |
| 239 | P | 84.9 | Confident | 80.2 | Confident | 22 Ų | 22 | 40.9 Ų | 40.9 | 14% | 0.143 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.5 | -38.6 | 178.1 | 22.7 | -34.8 | 0 | 0 | 0 | 113.5 | I237 V243 L273 W274 | I237-P239 VanDerWaalsContact C-N 3.3Å; I237-P239 VanDerWaalsContact O-N 3.08Å; P239-V243 WeakPolarHBondContact O-CG2 3.19Å; P239-V243 PolarHBondContact O-N 3.36Å; P239-L273 HydrophobicContact CB-CB 4.14Å; P239-L273 HydrophobicContact CB-CD2 3.92Å; P239-W274 HydrophobicContact CG-CZ2 4.16Å |
| 240 | I | 84.6 | Confident | 78.9 | Confident | 69 Ų | 69 | 42.6 Ų | 42.6 | 35% | 0.354 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -71 | -41.7 | 178 | -59.1 | 171.5 | 0 | 0 | 0 | 109.8 | P153 I237 T238 M242 V243 R244 | P153-I240 HydrophobicContact CG-CD1 4.28Å; I237-I240 WeakPolarHBondContact O-CA 3.43Å; I237-I240 WeakPolarHBondContact O-CB 3.31Å; I237-I240 PolarHBondContact O-N 3.45Å; T238-I240 VanDerWaalsContact C-N 3.35Å; T238-I240 PolarHBondContact O-N 3.21Å; I240-M242 VanDerWaalsContact C-N 3.34Å; I240-M242 PolarHBondContact O-N 3.05Å; I240-V243 WeakPolarHBondContact O-CB 3.31Å; I240-V243 PolarHBondContact O-N 3.02Å; I240-R244 PolarHBondContact O-N 3.03Å |
| 241 | E | 80.6 | Confident | 77.4 | Confident | 48 Ų | 48 | 42.2 Ų | 42.2 | 22% | 0.224 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.5 | -42.8 | 174.1 | -93.5 | 173 | -176.9 | 0 | 0 | 111.9 | I237 T238 V243 R244 I245 | I237-E241 HydrophobicContact CG2-CG 3.76Å; I237-E241 PolarHBondContact O-N 3.28Å; T238-E241 PolarHBondContact O-N 2.93Å; E241-V243 VanDerWaalsContact C-N 3.3Å; E241-V243 PolarHBondContact O-N 3.27Å; E241-R244 PolarHBondContact O-N 3.43Å; E241-I245 HydrophobicContact CB-CD1 4.47Å; E241-I245 WeakPolarHBondContact O-CB 3.38Å; E241-I245 WeakPolarHBondContact O-CD1 3.46Å; E241-I245 WeakPolarHBondContact O-CG1 3.27Å; E241-I245 PolarHBondContact O-N 3.43Å |
| 242 | M | 76.4 | Confident | 75.9 | Confident | 28 Ų | 28 | 41.2 Ų | 41.2 | 14% | 0.138 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.3 | -44.1 | 175.9 | -178.1 | -174.6 | -72.6 | 0 | 0 | 111.5 | T238 I240 I245 K246 L264 G272 L273 R275 | T238-M242 PolarHBondContact O-N 3.42Å; I240-M242 VanDerWaalsContact C-N 3.34Å; I240-M242 PolarHBondContact O-N 3.05Å; M242-I245 PolarHBondContact O-N 3.18Å; M242-K246 WeakPolarHBondContact O-CB 3.33Å; M242-K246 WeakPolarHBondContact O-CG 3.17Å; M242-K246 PolarHBondContact O-N 3.45Å; M242-L264 HydrophobicContact SD-CD2 3.8Å; M242-G272 WeakPolarHBondContact CE-O 3.04Å; M242-L273 WeakPolarHBondContact CE-O 3.38Å; M242-R275 HydrophobicContact CE-CB 3.97Å; M242-R275 VanDerWaalsContact CE-O 3.24Å; M242-R275 WeakPolarHBondContact CE-O 3.46Å |
| 243 | V | 77.6 | Confident | 75 | Confident | 41 Ų | 41 | 41.3 Ų | 41.3 | 25% | 0.248 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.1 | -47.6 | 176.9 | 168.4 | 0 | 0 | 0 | 0 | 110.6 | P239 I240 E241 K246 M247 L257 | P239-V243 WeakPolarHBondContact O-CG2 3.19Å; P239-V243 PolarHBondContact O-N 3.36Å; I240-V243 WeakPolarHBondContact O-CB 3.31Å; I240-V243 PolarHBondContact O-N 3.02Å; E241-V243 VanDerWaalsContact C-N 3.3Å; E241-V243 PolarHBondContact O-N 3.27Å; V243-K246 PolarHBondContact O-N 2.92Å; V243-M247 HydrophobicContact CG1-SD 4.36Å; V243-M247 WeakPolarHBondContact O-CG 3.48Å; V243-M247 PolarHBondContact O-N 2.84Å; V243-L257 HydrophobicContact CG1-CD1 4.33Å; V243-L257 HydrophobicContact CG1-CD2 3.65Å; V243-L257 HydrophobicContact CG1-CG 4.5Å |
| 244 | R | 76.6 | Confident | 74.2 | Confident | 64 Ų | 64 | 48.3 Ų | 48.3 | 24% | 0.242 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58 | -50.4 | 176.3 | 175.7 | -175.4 | 177.6 | -117.7 | -1.3 | 111.5 | P146 T147 S150 I240 E241 K246 M247 Q248 | P146-R244 HydrophobicContact CB-CG 4.37Å; T147-R244 PolarHBondContact OG1-NE 3.41Å; T147-R244 PolarHBondContact OG1-NH2 3.47Å; S150-R244 WeakPolarHBondContact OG-CD 3.27Å; I240-R244 PolarHBondContact O-N 3.03Å; E241-R244 PolarHBondContact O-N 3.43Å; R244-K246 VanDerWaalsContact C-N 3.33Å; R244-K246 PolarHBondContact O-N 3.32Å; R244-M247 PolarHBondContact O-N 3.05Å; R244-Q248 HydrophobicContact CG-CG 4.4Å; R244-Q248 VanDerWaalsContact NH2-NE2 3.16Å; R244-Q248 WeakPolarHBondContact O-CB 3.27Å; R244-Q248 WeakPolarHBondContact O-CG 3.41Å; R244-Q248 PolarHBondContact O-N 3.08Å |
| 245 | I | 71.8 | Confident | 73.5 | Confident | 95 Ų | 95 | 50.6 Ų | 50.6 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | -178.1 | -69.8 | 163.5 | 0 | 0 | 0 | 109.8 | E241 M242 M247 Q248 S249 | E241-I245 HydrophobicContact CB-CD1 4.47Å; E241-I245 WeakPolarHBondContact O-CB 3.38Å; E241-I245 WeakPolarHBondContact O-CD1 3.46Å; E241-I245 WeakPolarHBondContact O-CG1 3.27Å; E241-I245 PolarHBondContact O-N 3.43Å; M242-I245 PolarHBondContact O-N 3.18Å; I245-M247 PolarHBondContact O-N 3.22Å; I245-Q248 PolarHBondContact O-N 3.01Å; I245-S249 WeakPolarHBondContact O-CB 3.38Å; I245-S249 PolarHBondContact O-N 2.85Å; I245-S249 PolarHBondContact O-OG 3.45Å; I245-S249 VanDerWaalsContact O-OG 3.06Å |
| 246 | K | 70.8 | Confident | 72.7 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 25% | 0.252 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 175.5 | -81.6 | -171.2 | 174.6 | -179 | 0 | 112.8 | M242 V243 R244 Q248 S249 E250 L257 V260 | M242-K246 WeakPolarHBondContact O-CB 3.33Å; M242-K246 WeakPolarHBondContact O-CG 3.17Å; M242-K246 PolarHBondContact O-N 3.45Å; V243-K246 PolarHBondContact O-N 2.92Å; R244-K246 VanDerWaalsContact C-N 3.33Å; R244-K246 PolarHBondContact O-N 3.32Å; K246-Q248 VanDerWaalsContact C-N 3.3Å; K246-Q248 PolarHBondContact O-N 3.48Å; K246-S249 WeakPolarHBondContact CA-OG 3.29Å; K246-S249 PolarHBondContact O-OG 3.48Å; K246-E250 WeakPolarHBondContact O-CB 3.37Å; K246-E250 PolarHBondContact O-N 3.24Å; K246-L257 HydrophobicContact CB-CD1 4.28Å; K246-V260 HydrophobicContact CD-CG1 4.34Å; K246-V260 VanDerWaalsContact NZ-CG1 3.3Å |
| 247 | M | 67.9 | Low | 72.2 | Confident | 35 Ų | 35 | 49.3 Ų | 49.3 | 17% | 0.172 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.1 | -28.4 | 176 | -73.4 | -171.7 | 73.7 | 0 | 0 | 113.4 | P146 V243 R244 I245 E250 Y254 L257 | P146-M247 HydrophobicContact CB-SD 4.33Å; V243-M247 HydrophobicContact CG1-SD 4.36Å; V243-M247 WeakPolarHBondContact O-CG 3.48Å; V243-M247 PolarHBondContact O-N 2.84Å; R244-M247 PolarHBondContact O-N 3.05Å; I245-M247 PolarHBondContact O-N 3.22Å; M247-E250 CarbonylContact C-O 3.6Å; M247-Y254 HydrophobicContact CE-CD1 4.25Å; M247-Y254 HydrophobicContact CE-CE1 3.67Å; M247-Y254 HydrophobicContact CE-CE2 4.1Å; M247-Y254 HydrophobicContact SD-CE1 3.96Å; M247-L257 HydrophobicContact CG-CD1 4.39Å; M247-L257 HydrophobicContact CG-CD2 3.84Å; M247-L257 HydrophobicContact SD-CD2 3.81Å |
| 248 | Q | 64.3 | Low | 71.9 | Confident | 47 Ų | 47 | 56 Ų | 56 | 22% | 0.22 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -81.2 | -38.6 | 177.4 | -75.2 | -179.2 | -22.4 | 0 | 0 | 111.9 | G143 T147 R244 I245 K246 | G143-Q248 PolarHBondContact O-NE2 3.05Å; T147-Q248 PolarHBondContact OG1-NE2 2.91Å; R244-Q248 HydrophobicContact CG-CG 4.4Å; R244-Q248 VanDerWaalsContact NH2-NE2 3.16Å; R244-Q248 WeakPolarHBondContact O-CB 3.27Å; R244-Q248 WeakPolarHBondContact O-CG 3.41Å; R244-Q248 PolarHBondContact O-N 3.08Å; I245-Q248 PolarHBondContact O-N 3.01Å; K246-Q248 VanDerWaalsContact C-N 3.3Å; K246-Q248 PolarHBondContact O-N 3.48Å |
| 249 | S | 56.9 | Low | 71.5 | Confident | 40 Ų | 40 | 62.7 Ų | 62.7 | 28% | 0.28 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -73.1 | -41.3 | 178.6 | 63.3 | 0 | 0 | 0 | 0 | 111.9 | I245 K246 | I245-S249 WeakPolarHBondContact O-CB 3.38Å; I245-S249 PolarHBondContact O-N 2.85Å; I245-S249 PolarHBondContact O-OG 3.45Å; I245-S249 VanDerWaalsContact O-OG 3.06Å; K246-S249 WeakPolarHBondContact CA-OG 3.29Å; K246-S249 PolarHBondContact O-OG 3.48Å |
| 250 | E | 54.1 | Low | 71 | Confident | 35 Ų | 35 | 62.9 Ų | 62.9 | 16% | 0.164 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -114.4 | 130.9 | -177.2 | -43.9 | -161.2 | 133.9 | 0 | 0 | 110.3 | Y92 M97 K246 M247 M252 | Y92-E250 VanDerWaalsContact OH-CD 3.29Å; Y92-E250 WeakPolarHBondContact OH-CG 3.48Å; Y92-E250 PolarHBondContact OH-OE1 3.39Å; M97-E250 HydrophobicContact SD-CB 4.32Å; K246-E250 WeakPolarHBondContact O-CB 3.37Å; K246-E250 PolarHBondContact O-N 3.24Å; M247-E250 CarbonylContact C-O 3.6Å; E250-M252 HydrophobicContact CB-CB 4.34Å; E250-M252 HydrophobicContact CB-CG 3.31Å; E250-M252 HydrophobicContact CB-SD 4.47Å; E250-M252 HydrophobicContact CG-CG 4.33Å; E250-M252 PolarHBondContact O-N 2.9Å |
| 251 | Y | 53.3 | Low | 70.7 | Confident | 65 Ų | 65 | 60.8 Ų | 60.8 | 26% | 0.255 | 29% | 0.288 | S | S | . | . | trans | -74.1 | 67.8 | 170.3 | -74.5 | -84.5 | 0 | 0 | 0 | 110 | R72 L96 M97 | R72-Y251 VanDerWaalsContact NH2-CE2 3.3Å; R72-Y251 VanDerWaalsContact NH2-CZ 3.26Å; R72-Y251 PolarHBondContact NH2-OH 2.98Å; L96-Y251 HydrophobicContact CG-CE2 4.17Å; M97-Y251 WeakPolarHBondContact CE-O 3.5Å | ||
| 252 | M | 57.7 | Low | 70.8 | Confident | 20 Ų | 20 | 65.7 Ų | 65.7 | 10% | 0.099 | 31% | 0.305 | C | S | . | . | trans | -101.2 | 138.4 | -175.1 | -66.8 | -69.5 | -92.1 | 0 | 0 | 110.6 | Y90 M97 E250 E256 V260 | Y90-M252 HydrophobicContact CE1-CE 3.91Å; Y90-M252 HydrophobicContact CE1-SD 4.15Å; Y90-M252 VanDerWaalsContact OH-CE 3.25Å; Y90-M252 WeakPolarHBondContact OH-CE 3.4Å; M97-M252 HydrophobicContact CE-SD 3.99Å; M97-M252 HydrophobicContact SD-SD 4.06Å; E250-M252 HydrophobicContact CB-CB 4.34Å; E250-M252 HydrophobicContact CB-CG 3.31Å; E250-M252 HydrophobicContact CB-SD 4.47Å; E250-M252 HydrophobicContact CG-CG 4.33Å; E250-M252 PolarHBondContact O-N 2.9Å; M252-E256 HydrophobicContact CB-CB 4.4Å; M252-E256 HydrophobicContact CE-CB 3.65Å; M252-E256 HydrophobicContact CE-CG 4.47Å; M252-E256 HydrophobicContact SD-CB 4.26Å; M252-V260 HydrophobicContact CE-CG2 4.48Å | ||
| 253 | T | 68.1 | Low | 70.7 | Confident | 84 Ų | 84 | 66.9 Ų | 66.9 | 52% | 0.515 | 32% | 0.316 | S | S | . | . | trans | -69.4 | 149.8 | 172.7 | -41.1 | 0 | 0 | 0 | 0 | 109.1 | A255 E256 L257 | T253-A255 PolarHBondContact O-N 3.34Å; T253-A255 VanDerWaalsContact O-N 3.08Å; T253-E256 VanDerWaalsContact CB-OE2 3.29Å; T253-E256 WeakPolarHBondContact CB-OE2 3.41Å; T253-E256 PolarHBondContact N-OE2 2.87Å; T253-E256 WeakPolarHBondContact O-CA 3.39Å; T253-E256 WeakPolarHBondContact O-CB 3.17Å; T253-E256 PolarHBondContact O-N 2.87Å; T253-E256 PolarHBondContact OG1-OE2 3.22Å; T253-L257 PolarHBondContact O-N 3.39Å | ||
| 254 | Y | 71.9 | Confident | 70.7 | Confident | 152 Ų | 152 | 66 Ų | 66 | 60% | 0.596 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -51.1 | -36.2 | 176.1 | -78 | -80.5 | 0 | 0 | 0 | 113.3 | M247 E256 L257 W258 | M247-Y254 HydrophobicContact CE-CD1 4.25Å; M247-Y254 HydrophobicContact CE-CE1 3.67Å; M247-Y254 HydrophobicContact CE-CE2 4.1Å; M247-Y254 HydrophobicContact SD-CE1 3.96Å; Y254-E256 PolarHBondContact O-N 3.27Å; Y254-L257 PolarHBondContact O-N 3.47Å; Y254-W258 PolarHBondContact O-N 2.89Å |
| 255 | A | 72.5 | Confident | 71.2 | Confident | 52 Ų | 52 | 65.9 Ų | 65.9 | 43% | 0.43 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.3 | -35.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T253 R259 | T253-A255 PolarHBondContact O-N 3.34Å; T253-A255 VanDerWaalsContact O-N 3.08Å; A255-R259 WeakPolarHBondContact O-CG 3.43Å; A255-R259 PolarHBondContact O-N 3.42Å |
| 256 | E | 73.9 | Confident | 71.8 | Confident | 50 Ų | 50 | 72.2 Ų | 72.2 | 23% | 0.234 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -74 | -43 | 177.6 | -66 | 166.2 | 140.4 | 0 | 0 | 110.9 | M252 T253 Y254 W258 R259 V260 | M252-E256 HydrophobicContact CB-CB 4.4Å; M252-E256 HydrophobicContact CE-CB 3.65Å; M252-E256 HydrophobicContact CE-CG 4.47Å; M252-E256 HydrophobicContact SD-CB 4.26Å; T253-E256 VanDerWaalsContact CB-OE2 3.29Å; T253-E256 WeakPolarHBondContact CB-OE2 3.41Å; T253-E256 PolarHBondContact N-OE2 2.87Å; T253-E256 WeakPolarHBondContact O-CA 3.39Å; T253-E256 WeakPolarHBondContact O-CB 3.17Å; T253-E256 PolarHBondContact O-N 2.87Å; T253-E256 PolarHBondContact OG1-OE2 3.22Å; Y254-E256 PolarHBondContact O-N 3.27Å; E256-W258 VanDerWaalsContact C-N 3.3Å; E256-W258 PolarHBondContact O-N 2.79Å; E256-R259 VanDerWaalsContact CG-NH1 3.27Å; E256-R259 PolarHBondContact O-N 2.88Å; E256-V260 WeakPolarHBondContact O-CG2 3.33Å; E256-V260 PolarHBondContact O-N 2.58Å |
| 257 | L | 77.1 | Confident | 72 | Confident | 20 Ų | 20 | 75.8 Ų | 75.8 | 11% | 0.105 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -54.6 | -46.7 | 172.6 | 172.7 | 71.2 | 0 | 0 | 0 | 111.5 | V243 K246 M247 T253 Y254 R259 V260 L261 | V243-L257 HydrophobicContact CG1-CD1 4.33Å; V243-L257 HydrophobicContact CG1-CD2 3.65Å; V243-L257 HydrophobicContact CG1-CG 4.5Å; K246-L257 HydrophobicContact CB-CD1 4.28Å; M247-L257 HydrophobicContact CG-CD1 4.39Å; M247-L257 HydrophobicContact CG-CD2 3.84Å; M247-L257 HydrophobicContact SD-CD2 3.81Å; T253-L257 PolarHBondContact O-N 3.39Å; Y254-L257 PolarHBondContact O-N 3.47Å; L257-R259 VanDerWaalsContact C-N 3.33Å; L257-R259 PolarHBondContact O-N 3.45Å; L257-V260 PolarHBondContact O-N 2.95Å; L257-L261 WeakPolarHBondContact O-CB 3.48Å; L257-L261 PolarHBondContact O-N 2.69Å |
| 258 | W | 82.1 | Confident | 72.3 | Confident | 144 Ų | 144 | 78.7 Ų | 78.7 | 55% | 0.545 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | -179.9 | -173.6 | -117.4 | 0 | 0 | 0 | 112.7 | Y254 E256 L261 R262 | Y254-W258 PolarHBondContact O-N 2.89Å; E256-W258 VanDerWaalsContact C-N 3.3Å; E256-W258 PolarHBondContact O-N 2.79Å; W258-L261 HydrophobicContact CE3-CD2 3.99Å; W258-L261 HydrophobicContact CZ3-CD2 3.85Å; W258-L261 PolarHBondContact O-N 3.48Å; W258-R262 VanDerWaalsContact O-CB 3.29Å; W258-R262 WeakPolarHBondContact O-CB 3.44Å; W258-R262 PolarHBondContact O-N 3.17Å |
| 259 | R | 78.4 | Confident | 73.3 | Confident | 147 Ų | 147 | 78.1 Ų | 78.1 | 56% | 0.555 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.5 | -42 | 173.6 | -70.3 | -178.5 | -138.8 | 114.3 | 1.3 | 111.6 | A255 E256 L257 S263 | A255-R259 WeakPolarHBondContact O-CG 3.43Å; A255-R259 PolarHBondContact O-N 3.42Å; E256-R259 VanDerWaalsContact CG-NH1 3.27Å; E256-R259 PolarHBondContact O-N 2.88Å; L257-R259 VanDerWaalsContact C-N 3.33Å; L257-R259 PolarHBondContact O-N 3.45Å; R259-S263 WeakPolarHBondContact O-CB 3.5Å; R259-S263 PolarHBondContact O-N 3.18Å; R259-S263 PolarHBondContact O-OG 3.44Å |
| 260 | V | 73.5 | Confident | 74.6 | Confident | 26 Ų | 26 | 81.4 Ų | 81.4 | 16% | 0.158 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 176.3 | 172 | 0 | 0 | 0 | 0 | 111.3 | K246 M252 E256 L257 S263 L264 | K246-V260 HydrophobicContact CD-CG1 4.34Å; K246-V260 VanDerWaalsContact NZ-CG1 3.3Å; M252-V260 HydrophobicContact CE-CG2 4.48Å; E256-V260 WeakPolarHBondContact O-CG2 3.33Å; E256-V260 PolarHBondContact O-N 2.58Å; L257-V260 PolarHBondContact O-N 2.95Å; V260-S263 PolarHBondContact O-N 2.84Å; V260-S263 PolarHBondContact O-OG 3.2Å; V260-L264 VanDerWaalsContact O-CB 3.32Å; V260-L264 WeakPolarHBondContact O-CB 3.17Å; V260-L264 PolarHBondContact O-N 3.28Å |
| 261 | L | 79.8 | Confident | 75.9 | Confident | 26 Ų | 26 | 86.3 Ų | 86.3 | 14% | 0.136 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.6 | -44.7 | 177.5 | -173 | 61.2 | 0 | 0 | 0 | 111 | L257 W258 S263 L264 I265 L273 | L257-L261 WeakPolarHBondContact O-CB 3.48Å; L257-L261 PolarHBondContact O-N 2.69Å; W258-L261 HydrophobicContact CE3-CD2 3.99Å; W258-L261 HydrophobicContact CZ3-CD2 3.85Å; W258-L261 PolarHBondContact O-N 3.48Å; L261-S263 PolarHBondContact O-N 3.48Å; L261-L264 WeakPolarHBondContact O-CB 3.23Å; L261-L264 PolarHBondContact O-N 2.87Å; L261-I265 HydrophobicContact CG-CD1 4.18Å; L261-I265 WeakPolarHBondContact O-CG1 3.28Å; L261-I265 PolarHBondContact O-N 2.95Å; L261-L273 HydrophobicContact CD1-CD1 4.05Å; L261-L273 HydrophobicContact CD1-CD2 4.14Å; L261-L273 HydrophobicContact CD1-CG 3.94Å |
| 262 | R | 82.7 | Confident | 77.1 | Confident | 150 Ų | 150 | 83.4 Ų | 83.4 | 57% | 0.566 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -62.5 | -41.1 | 176.1 | -173.5 | -176.6 | -68.9 | 167.5 | -10.4 | 112.1 | W258 R266 | W258-R262 VanDerWaalsContact O-CB 3.29Å; W258-R262 WeakPolarHBondContact O-CB 3.44Å; W258-R262 PolarHBondContact O-N 3.17Å; R262-R266 WeakPolarHBondContact O-CB 3.18Å; R262-R266 PolarHBondContact O-N 3.06Å |
| 263 | S | 74.8 | Confident | 78.1 | Confident | 53 Ų | 53 | 83.5 Ų | 83.5 | 37% | 0.371 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.9 | -37 | 176.4 | 69.1 | 0 | 0 | 0 | 0 | 111.8 | R259 V260 L261 R266 Q267 | R259-S263 WeakPolarHBondContact O-CB 3.5Å; R259-S263 PolarHBondContact O-N 3.18Å; R259-S263 PolarHBondContact O-OG 3.44Å; V260-S263 PolarHBondContact O-N 2.84Å; V260-S263 PolarHBondContact O-OG 3.2Å; L261-S263 PolarHBondContact O-N 3.48Å; S263-R266 PolarHBondContact O-N 2.97Å; S263-Q267 WeakPolarHBondContact O-CB 3.23Å; S263-Q267 VanDerWaalsContact O-CG 3.26Å; S263-Q267 WeakPolarHBondContact O-CG 3.36Å; S263-Q267 PolarHBondContact O-N 2.77Å |
| 264 | L | 77 | Confident | 78.9 | Confident | 22 Ų | 22 | 83.4 Ų | 83.4 | 12% | 0.115 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 174.8 | -172.7 | 70.3 | 0 | 0 | 0 | 111.6 | M242 V260 L261 R266 Q267 H268 | M242-L264 HydrophobicContact SD-CD2 3.8Å; V260-L264 VanDerWaalsContact O-CB 3.32Å; V260-L264 WeakPolarHBondContact O-CB 3.17Å; V260-L264 PolarHBondContact O-N 3.28Å; L261-L264 WeakPolarHBondContact O-CB 3.23Å; L261-L264 PolarHBondContact O-N 2.87Å; L264-R266 VanDerWaalsContact C-N 3.33Å; L264-R266 PolarHBondContact O-N 3.48Å; L264-Q267 PolarHBondContact O-N 3.22Å; L264-H268 PolarHBondContact O-N 3.19Å |
| 265 | I | 86.6 | Confident | 78.8 | Confident | 62 Ų | 62 | 84.4 Ų | 84.4 | 32% | 0.318 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 177.4 | -66.1 | 165.5 | 0 | 0 | 0 | 110.7 | L261 Q267 G269 L273 | L261-I265 HydrophobicContact CG-CD1 4.18Å; L261-I265 WeakPolarHBondContact O-CG1 3.28Å; L261-I265 PolarHBondContact O-N 2.95Å; I265-Q267 VanDerWaalsContact C-N 3.31Å; I265-Q267 PolarHBondContact O-N 3.18Å; I265-G269 CarbonylContact O-C 3.51Å; I265-G269 WeakPolarHBondContact O-CA 3.16Å; I265-G269 PolarHBondContact O-N 3.47Å; I265-L273 HydrophobicContact CD1-CD1 4.01Å; I265-L273 HydrophobicContact CG1-CD1 3.47Å; I265-L273 VanDerWaalsContact CG1-CD1 3.47Å |
| 266 | R | 83.6 | Confident | 78.9 | Confident | 228 Ų | 228 | 83.4 Ų | 83.4 | 86% | 0.86 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -68.7 | -27.6 | 179.5 | -171.9 | 171.5 | 170.9 | 166.6 | -2.2 | 113.1 | R262 S263 L264 | R262-R266 WeakPolarHBondContact O-CB 3.18Å; R262-R266 PolarHBondContact O-N 3.06Å; S263-R266 PolarHBondContact O-N 2.97Å; L264-R266 VanDerWaalsContact C-N 3.33Å; L264-R266 PolarHBondContact O-N 3.48Å |
| 267 | Q | 75.5 | Confident | 79.3 | Confident | 133 Ų | 133 | 85.3 Ų | 85.3 | 62% | 0.621 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -94 | -39.2 | -177.8 | -72.3 | 177.9 | 2.1 | 0 | 0 | 114 | S263 L264 I265 | S263-Q267 WeakPolarHBondContact O-CB 3.23Å; S263-Q267 VanDerWaalsContact O-CG 3.26Å; S263-Q267 WeakPolarHBondContact O-CG 3.36Å; S263-Q267 PolarHBondContact O-N 2.77Å; L264-Q267 PolarHBondContact O-N 3.22Å; I265-Q267 VanDerWaalsContact C-N 3.31Å; I265-Q267 PolarHBondContact O-N 3.18Å |
| 268 | H | 74.9 | Confident | 79.6 | Confident | 97 Ų | 97 | 88 Ų | 88 | 45% | 0.449 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -118.1 | 2.9 | -172.8 | -68 | 73.6 | 0 | 0 | 0 | 113 | L264 | L264-H268 PolarHBondContact O-N 3.19Å |
| 269 | G | 85.2 | Confident | 79.6 | Confident | 34 Ų | 34 | 85.1 Ų | 85.1 | 35% | 0.351 | 41% | 0.41 | S | S | . | . | trans | 71.7 | -174.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I265 L271 G272 | I265-G269 CarbonylContact O-C 3.51Å; I265-G269 WeakPolarHBondContact O-CA 3.16Å; I265-G269 PolarHBondContact O-N 3.47Å; G269-L271 PolarHBondContact O-N 3.41Å; G269-G272 PolarHBondContact O-N 3.39Å; G269-G272 VanDerWaalsContact O-N 3.08Å | ||
| 270 | I | 83.8 | Confident | 79.8 | Confident | 110 Ų | 110 | 79.4 Ų | 79.4 | 56% | 0.564 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -63 | -31.5 | 179.7 | -155 | 83.9 | 0 | 0 | 0 | 112 | G272 L273 W274 | I270-G272 PolarHBondContact O-N 2.63Å; I270-L273 PolarHBondContact O-N 2.66Å; I270-L273 VanDerWaalsContact O-N 3.13Å; I270-W274 HydrophobicContact CG1-CZ3 4.34Å; I270-W274 WeakPolarHBondContact O-CZ3 3.48Å |
| 271 | L | 82.6 | Confident | 80.3 | Confident | 137 Ų | 137 | 79.2 Ų | 79.2 | 72% | 0.717 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -64.5 | -18.9 | 176.7 | -69.7 | 168.4 | 0 | 0 | 0 | 112.7 | G269 L273 W274 | G269-L271 PolarHBondContact O-N 3.41Å; L271-L273 PolarHBondContact O-N 2.9Å; L271-L273 VanDerWaalsContact O-N 3.16Å; L271-W274 PolarHBondContact O-N 3.3Å |
| 272 | G | 77.1 | Confident | 80.5 | Confident | 4 Ų | 4 | 83.3 Ų | 83.3 | 4% | 0.041 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -57.3 | -25.5 | 172 | 0 | 0 | 0 | 0 | 0 | 113.5 | M242 G269 I270 W274 R275 | M242-G272 WeakPolarHBondContact CE-O 3.04Å; G269-G272 PolarHBondContact O-N 3.39Å; G269-G272 VanDerWaalsContact O-N 3.08Å; I270-G272 PolarHBondContact O-N 2.63Å; G272-W274 VanDerWaalsContact C-N 3.33Å; G272-R275 WeakPolarHBondContact O-CB 3.28Å; G272-R275 PolarHBondContact O-N 3.38Å |
| 273 | L | 80.1 | Confident | 80.6 | Confident | 23 Ų | 23 | 82.6 Ų | 82.6 | 12% | 0.12 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -74.2 | -21.8 | 176.1 | -80.9 | 75.1 | 0 | 0 | 0 | 113.3 | P239 M242 L261 I265 I270 L271 R275 | P239-L273 HydrophobicContact CB-CB 4.14Å; P239-L273 HydrophobicContact CB-CD2 3.92Å; M242-L273 WeakPolarHBondContact CE-O 3.38Å; L261-L273 HydrophobicContact CD1-CD1 4.05Å; L261-L273 HydrophobicContact CD1-CD2 4.14Å; L261-L273 HydrophobicContact CD1-CG 3.94Å; I265-L273 HydrophobicContact CD1-CD1 4.01Å; I265-L273 HydrophobicContact CG1-CD1 3.47Å; I265-L273 VanDerWaalsContact CG1-CD1 3.47Å; I270-L273 PolarHBondContact O-N 2.66Å; I270-L273 VanDerWaalsContact O-N 3.13Å; L271-L273 PolarHBondContact O-N 2.9Å; L271-L273 VanDerWaalsContact O-N 3.16Å; L273-R275 VanDerWaalsContact C-N 3.29Å |
| 274 | W | 84.6 | Confident | 81 | Confident | 81 Ų | 81 | 80.5 Ų | 80.5 | 31% | 0.307 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -93.8 | 12.9 | 174 | -74.1 | -94.9 | 0 | 0 | 0 | 112.3 | T235 T238 P239 I270 L271 G272 G276 W277 | T235-W274 PolarHBondContact O-NE1 3.38Å; T238-W274 HydrophobicContact CG2-CG 4.47Å; P239-W274 HydrophobicContact CG-CZ2 4.16Å; I270-W274 HydrophobicContact CG1-CZ3 4.34Å; I270-W274 WeakPolarHBondContact O-CZ3 3.48Å; L271-W274 PolarHBondContact O-N 3.3Å; G272-W274 VanDerWaalsContact C-N 3.33Å; W274-G276 PolarHBondContact O-N 3.07Å; W274-W277 HydrophobicContact CB-CB 4.14Å; W274-W277 VanDerWaalsContact O-CB 3.27Å; W274-W277 WeakPolarHBondContact O-CB 3.4Å; W274-W277 PolarHBondContact O-N 2.87Å |
| 275 | R | 69.8 | Low | 81.3 | Confident | 174 Ų | 174 | 80.2 Ų | 80.2 | 66% | 0.657 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 100.4 | 174.6 | -170.1 | 179.4 | 177.4 | 96.6 | 1.6 | 109.3 | M242 G272 L273 | M242-R275 HydrophobicContact CE-CB 3.97Å; M242-R275 VanDerWaalsContact CE-O 3.24Å; M242-R275 WeakPolarHBondContact CE-O 3.46Å; G272-R275 WeakPolarHBondContact O-CB 3.28Å; G272-R275 PolarHBondContact O-N 3.38Å; L273-R275 VanDerWaalsContact C-N 3.29Å |
| 276 | G | 73.8 | Confident | 81.3 | Confident | 30 Ų | 30 | 80.2 Ų | 80.2 | 31% | 0.309 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 122.1 | -7.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | W274 P279 T280 | W274-G276 PolarHBondContact O-N 3.07Å; G276-P279 WeakPolarHBondContact O-CD 3.49Å; G276-P279 WeakPolarHBondContact O-CG 3.31Å; G276-T280 PolarHBondContact O-N 2.79Å; G276-T280 VanDerWaalsContact O-N 3.17Å; G276-T280 PolarHBondContact O-OG1 3.19Å |
| 277 | W | 83.3 | Confident | 81.4 | Confident | 90 Ų | 90 | 72.2 Ų | 72.2 | 34% | 0.341 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.5 | -47.3 | 175.1 | 173.7 | 86.8 | 0 | 0 | 0 | 113.6 | T235 T238 W274 T280 V281 | T235-W277 PolarHBondContact OG1-NE1 2.73Å; T238-W277 HydrophobicContact CG2-CB 4.21Å; W274-W277 HydrophobicContact CB-CB 4.14Å; W274-W277 VanDerWaalsContact O-CB 3.27Å; W274-W277 WeakPolarHBondContact O-CB 3.4Å; W274-W277 PolarHBondContact O-N 2.87Å; W277-T280 PolarHBondContact O-N 2.92Å; W277-V281 HydrophobicContact CD2-CG2 4.06Å; W277-V281 VanDerWaalsContact CE2-CG2 3.46Å; W277-V281 HydrophobicContact CG-CG2 4.24Å; W277-V281 HydrophobicContact CZ2-CG2 3.84Å; W277-V281 VanDerWaalsContact NE1-CG2 3.32Å; W277-V281 PolarHBondContact O-N 3.22Å |
| 278 | P | 82.9 | Confident | 81.8 | Confident | 77 Ų | 77 | 66.2 Ų | 66.2 | 50% | 0.5 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.1 | -49.2 | -179.6 | -20.4 | 29.1 | 0 | 0 | 0 | 114.3 | T280 V281 M282 | P278-T280 VanDerWaalsContact C-N 3.31Å; P278-T280 PolarHBondContact O-N 3Å; P278-V281 PolarHBondContact O-N 2.99Å; P278-M282 VanDerWaalsContact O-CB 3.22Å; P278-M282 WeakPolarHBondContact O-CB 3.46Å; P278-M282 PolarHBondContact O-N 3.4Å |
| 279 | P | 80.9 | Confident | 82.1 | Confident | 84 Ų | 84 | 61.9 Ų | 61.9 | 55% | 0.545 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.6 | -31.8 | 176.8 | 23.9 | -31.9 | 0 | 0 | 0 | 112.8 | G276 R283 | G276-P279 WeakPolarHBondContact O-CD 3.49Å; G276-P279 WeakPolarHBondContact O-CG 3.31Å; P279-R283 WeakPolarHBondContact O-CB 3.44Å; P279-R283 PolarHBondContact O-N 2.88Å |
| 280 | T | 82.6 | Confident | 82.1 | Confident | 26 Ų | 26 | 61.6 Ų | 61.6 | 16% | 0.16 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.1 | -49.6 | 175.2 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | V234 G276 W277 P278 M282 R283 D284 | V234-T280 HydrophobicContact CG1-CG2 3.59Å; V234-T280 HydrophobicContact CG2-CG2 4.39Å; G276-T280 PolarHBondContact O-N 2.79Å; G276-T280 VanDerWaalsContact O-N 3.17Å; G276-T280 PolarHBondContact O-OG1 3.19Å; W277-T280 PolarHBondContact O-N 2.92Å; P278-T280 VanDerWaalsContact C-N 3.31Å; P278-T280 PolarHBondContact O-N 3Å; T280-M282 PolarHBondContact O-N 3.05Å; T280-R283 PolarHBondContact O-N 3.29Å; T280-D284 WeakPolarHBondContact O-CB 3.4Å; T280-D284 PolarHBondContact O-N 2.91Å |
| 281 | V | 85.2 | Confident | 82.1 | Confident | 23 Ų | 23 | 59.9 Ų | 59.9 | 14% | 0.139 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64 | -41.9 | 178.6 | 171 | 0 | 0 | 0 | 0 | 111.7 | T231 V234 W277 P278 R283 D284 A285 | T231-V281 HydrophobicContact CG2-CG1 4.32Å; V234-V281 HydrophobicContact CB-CG2 4.27Å; V234-V281 HydrophobicContact CG1-CG2 3.6Å; W277-V281 HydrophobicContact CD2-CG2 4.06Å; W277-V281 VanDerWaalsContact CE2-CG2 3.46Å; W277-V281 HydrophobicContact CG-CG2 4.24Å; W277-V281 HydrophobicContact CZ2-CG2 3.84Å; W277-V281 VanDerWaalsContact NE1-CG2 3.32Å; W277-V281 PolarHBondContact O-N 3.22Å; P278-V281 PolarHBondContact O-N 2.99Å; V281-R283 PolarHBondContact O-N 3.03Å; V281-D284 PolarHBondContact O-N 3.42Å; V281-A285 HydrophobicContact CG1-CB 4.4Å; V281-A285 VanDerWaalsContact O-CB 3.31Å; V281-A285 WeakPolarHBondContact O-CB 3.24Å; V281-A285 PolarHBondContact O-N 3.01Å |
| 282 | M | 84.4 | Confident | 82.1 | Confident | 112 Ų | 112 | 55.5 Ų | 55.5 | 55% | 0.552 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62.3 | -24.7 | 177.8 | -179.1 | 179.7 | 158.7 | 0 | 0 | 112.8 | P278 T280 P286 | P278-M282 VanDerWaalsContact O-CB 3.22Å; P278-M282 WeakPolarHBondContact O-CB 3.46Å; P278-M282 PolarHBondContact O-N 3.4Å; T280-M282 PolarHBondContact O-N 3.05Å; M282-P286 WeakPolarHBondContact O-CD 3.41Å; M282-P286 VanDerWaalsContact O-CG 3.23Å; M282-P286 WeakPolarHBondContact O-CG 3.42Å |
| 283 | R | 83 | Confident | 82.2 | Confident | 134 Ų | 134 | 57 Ų | 57 | 51% | 0.506 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -86.5 | -46.3 | 173.1 | -176.1 | -167.2 | 64.8 | -177.1 | -2.6 | 111.8 | P279 T280 V281 F287 Q327 | P279-R283 WeakPolarHBondContact O-CB 3.44Å; P279-R283 PolarHBondContact O-N 2.88Å; T280-R283 PolarHBondContact O-N 3.29Å; V281-R283 PolarHBondContact O-N 3.03Å; R283-F287 VanDerWaalsContact O-CB 3.27Å; R283-F287 WeakPolarHBondContact O-CB 3.08Å; R283-F287 PolarHBondContact O-N 3.43Å; R283-Q327 HydrophobicContact CG-CG 4.17Å; R283-Q327 PolarHBondContact O-OE1 3.18Å |
| 284 | D | 84.1 | Confident | 82.4 | Confident | 10 Ų | 10 | 57.3 Ų | 57.3 | 5% | 0.053 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -79.6 | -34.5 | -167.7 | -80.8 | 45.8 | 0 | 0 | 0 | 113.3 | R230 V234 T280 V281 S288 | R230-D284 HydrophobicContact CG-CB 4.06Å; R230-D284 IonicContact CZ-OD2 3.41Å; R230-D284 IonicContact NE-OD2 3.65Å; R230-D284 IonicContact NH2-OD2 3.94Å; R230-D284 PolarHBondContact NH2-OD2 2.83Å; V234-D284 HydrophobicContact CG2-CB 4.05Å; T280-D284 WeakPolarHBondContact O-CB 3.4Å; T280-D284 PolarHBondContact O-N 2.91Å; V281-D284 PolarHBondContact O-N 3.42Å; D284-S288 WeakPolarHBondContact O-CB 3.27Å; D284-S288 PolarHBondContact O-N 3.38Å; D284-S288 PolarHBondContact O-OG 3.21Å |
| 285 | A | 83.4 | Confident | 82.2 | Confident | 16 Ų | 16 | 55.1 Ų | 55.1 | 13% | 0.132 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.5 | -51.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I227 V281 F287 S288 G289 | I227-A285 HydrophobicContact CG2-CB 4.2Å; V281-A285 HydrophobicContact CG1-CB 4.4Å; V281-A285 VanDerWaalsContact O-CB 3.31Å; V281-A285 WeakPolarHBondContact O-CB 3.24Å; V281-A285 PolarHBondContact O-N 3.01Å; A285-F287 PolarHBondContact O-N 3.13Å; A285-S288 PolarHBondContact O-N 3.16Å; A285-S288 PolarHBondContact O-OG 3.33Å; A285-G289 PolarHBondContact O-N 3.17Å; A285-G289 VanDerWaalsContact O-N 3.09Å |
| 286 | P | 85.9 | Confident | 82.6 | Confident | 61 Ų | 61 | 48.6 Ų | 48.6 | 40% | 0.396 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 176.9 | -22.4 | 35.6 | 0 | 0 | 0 | 112.3 | M282 S288 G289 T290 | M282-P286 WeakPolarHBondContact O-CD 3.41Å; M282-P286 VanDerWaalsContact O-CG 3.23Å; M282-P286 WeakPolarHBondContact O-CG 3.42Å; P286-S288 VanDerWaalsContact C-N 3.29Å; P286-S288 PolarHBondContact O-N 2.8Å; P286-G289 PolarHBondContact O-N 2.87Å; P286-T290 PolarHBondContact O-N 3.01Å; P286-T290 PolarHBondContact O-OG1 2.89Å |
| 287 | F | 85.9 | Confident | 82.9 | Confident | 60 Ų | 60 | 49.9 Ų | 49.9 | 26% | 0.263 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -54.5 | -45.5 | 174.9 | 175.6 | -96.3 | 0 | 0 | 0 | 111.9 | R283 A285 G289 T290 Y291 E324 | R283-F287 VanDerWaalsContact O-CB 3.27Å; R283-F287 WeakPolarHBondContact O-CB 3.08Å; R283-F287 PolarHBondContact O-N 3.43Å; A285-F287 PolarHBondContact O-N 3.13Å; F287-G289 VanDerWaalsContact C-N 3.33Å; F287-G289 PolarHBondContact O-N 2.92Å; F287-T290 PolarHBondContact O-N 3.26Å; F287-Y291 VanDerWaalsContact O-CB 3.27Å; F287-Y291 WeakPolarHBondContact O-CB 3.47Å; F287-Y291 PolarHBondContact O-N 2.94Å; F287-E324 HydrophobicContact CE2-CG 4.22Å |
| 288 | S | 84.4 | Confident | 82.7 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 6% | 0.056 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65 | -36.2 | 177.9 | 71.5 | 0 | 0 | 0 | 0 | 113.1 | D284 A285 P286 W292 | D284-S288 WeakPolarHBondContact O-CB 3.27Å; D284-S288 PolarHBondContact O-N 3.38Å; D284-S288 PolarHBondContact O-OG 3.21Å; A285-S288 PolarHBondContact O-N 3.16Å; A285-S288 PolarHBondContact O-OG 3.33Å; P286-S288 VanDerWaalsContact C-N 3.29Å; P286-S288 PolarHBondContact O-N 2.8Å; S288-W292 VanDerWaalsContact O-CD1 3.31Å; S288-W292 PolarHBondContact O-N 2.94Å |
| 289 | G | 81 | Confident | 82.3 | Confident | 5 Ų | 5 | 46 Ų | 46 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.7 | -54.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A285 P286 F287 Y291 W292 A293 | A285-G289 PolarHBondContact O-N 3.17Å; A285-G289 VanDerWaalsContact O-N 3.09Å; P286-G289 PolarHBondContact O-N 2.87Å; F287-G289 VanDerWaalsContact C-N 3.33Å; F287-G289 PolarHBondContact O-N 2.92Å; G289-Y291 VanDerWaalsContact C-N 3.33Å; G289-Y291 PolarHBondContact O-N 3.15Å; G289-W292 PolarHBondContact O-N 3.17Å; G289-A293 WeakPolarHBondContact O-CB 3.45Å; G289-A293 PolarHBondContact O-N 3.44Å |
| 290 | T | 84.4 | Confident | 82 | Confident | 29 Ų | 29 | 47.2 Ų | 47.2 | 18% | 0.178 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.4 | -44 | 178.2 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | P286 F287 W292 A293 V294 V322 E326 | P286-T290 PolarHBondContact O-N 3.01Å; P286-T290 PolarHBondContact O-OG1 2.89Å; F287-T290 PolarHBondContact O-N 3.26Å; T290-W292 PolarHBondContact O-N 3.17Å; T290-A293 WeakPolarHBondContact O-CB 3.2Å; T290-A293 PolarHBondContact O-N 3.37Å; T290-V294 HydrophobicContact CG2-CG2 3.98Å; T290-V294 WeakPolarHBondContact O-CG2 3.22Å; T290-V294 PolarHBondContact O-N 3.27Å; T290-V322 HydrophobicContact CG2-CG1 4.2Å; T290-E326 WeakPolarHBondContact CG2-OE2 3.48Å; T290-E326 PolarHBondContact OG1-OE2 2.82Å |
| 291 | Y | 84.4 | Confident | 81.9 | Confident | 73 Ų | 73 | 49.8 Ų | 49.8 | 29% | 0.286 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -54.9 | -51.7 | 179.4 | 177.2 | -90.3 | 0 | 0 | 0 | 111.8 | F287 G289 Y295 | F287-Y291 VanDerWaalsContact O-CB 3.27Å; F287-Y291 WeakPolarHBondContact O-CB 3.47Å; F287-Y291 PolarHBondContact O-N 2.94Å; G289-Y291 VanDerWaalsContact C-N 3.33Å; G289-Y291 PolarHBondContact O-N 3.15Å; Y291-Y295 WeakPolarHBondContact O-CB 3.47Å; Y291-Y295 PolarHBondContact O-N 3.45Å |
| 292 | W | 82.6 | Confident | 81.6 | Confident | 46 Ų | 46 | 55.5 Ų | 55.5 | 17% | 0.174 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.3 | -34.5 | 179.8 | -81.5 | 104.8 | 0 | 0 | 0 | 112.7 | Y162 P222 M223 S288 G289 T290 Y295 E296 | Y162-W292 HydrophobicContact CE2-CH2 4.45Å; Y162-W292 AromaticContact CE2-CZ2 3.88Å; Y162-W292 HydrophobicContact CE2-CZ2 3.88Å; Y162-W292 WeakPolarHBondContact OH-CH2 3.38Å; P222-W292 HydrophobicContact CB-CE3 4.2Å; M223-W292 HydrophobicContact CG-CB 3.96Å; S288-W292 VanDerWaalsContact O-CD1 3.31Å; S288-W292 PolarHBondContact O-N 2.94Å; G289-W292 PolarHBondContact O-N 3.17Å; T290-W292 PolarHBondContact O-N 3.17Å; W292-Y295 HydrophobicContact CZ3-CD1 4.46Å; W292-E296 VanDerWaalsContact O-CB 3.3Å; W292-E296 WeakPolarHBondContact O-CB 3.01Å; W292-E296 PolarHBondContact O-N 2.88Å |
| 293 | A | 80.6 | Confident | 81.2 | Confident | 35 Ų | 35 | 55 Ų | 55 | 29% | 0.289 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.9 | -51 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | M223 G289 T290 A297 | M223-A293 HydrophobicContact CE-CB 3.57Å; M223-A293 HydrophobicContact SD-CB 3.7Å; G289-A293 WeakPolarHBondContact O-CB 3.45Å; G289-A293 PolarHBondContact O-N 3.44Å; T290-A293 WeakPolarHBondContact O-CB 3.2Å; T290-A293 PolarHBondContact O-N 3.37Å; A293-A297 VanDerWaalsContact O-CB 3.29Å; A293-A297 WeakPolarHBondContact O-CB 3.2Å; A293-A297 PolarHBondContact O-N 3.06Å |
| 294 | V | 84.2 | Confident | 80.6 | Confident | 30 Ų | 30 | 50.3 Ų | 50.3 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.7 | -41.9 | -178.4 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | T290 E296 A297 I298 S319 V322 | T290-V294 HydrophobicContact CG2-CG2 3.98Å; T290-V294 WeakPolarHBondContact O-CG2 3.22Å; T290-V294 PolarHBondContact O-N 3.27Å; V294-E296 VanDerWaalsContact C-N 3.35Å; V294-E296 PolarHBondContact O-N 3.31Å; V294-A297 PolarHBondContact O-N 3.37Å; V294-I298 HydrophobicContact CG1-CD1 3.71Å; V294-I298 HydrophobicContact CG1-CG1 4.38Å; V294-I298 VanDerWaalsContact O-CG1 3.32Å; V294-I298 WeakPolarHBondContact O-CG1 3.16Å; V294-I298 PolarHBondContact O-N 3.2Å; V294-S319 WeakPolarHBondContact CG1-OG 3.07Å; V294-V322 HydrophobicContact CG2-CB 4.46Å; V294-V322 HydrophobicContact CG2-CG1 4.05Å |
| 295 | Y | 80.1 | Confident | 79.5 | Confident | 35 Ų | 35 | 56 Ų | 56 | 14% | 0.137 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.9 | -47.7 | 177.2 | -174.8 | -88.5 | 0 | 0 | 0 | 111.7 | Y291 W292 K299 T315 S319 | Y291-Y295 WeakPolarHBondContact O-CB 3.47Å; Y291-Y295 PolarHBondContact O-N 3.45Å; W292-Y295 HydrophobicContact CZ3-CD1 4.46Å; Y295-K299 WeakPolarHBondContact O-CB 3.41Å; Y295-K299 PolarHBondContact O-N 3.17Å; Y295-T315 HydrophobicContact CD2-CG2 3.67Å; Y295-T315 HydrophobicContact CE2-CG2 4.04Å; Y295-T315 HydrophobicContact CG-CG2 4.25Å; Y295-S319 PolarHBondContact N-OG 3.31Å |
| 296 | E | 76.8 | Confident | 78.8 | Confident | 36 Ų | 36 | 61.7 Ų | 61.7 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71.5 | -36.9 | -179.3 | -169.4 | 64.9 | -159.5 | 0 | 0 | 112.1 | W292 V294 K299 R300 | W292-E296 VanDerWaalsContact O-CB 3.3Å; W292-E296 WeakPolarHBondContact O-CB 3.01Å; W292-E296 PolarHBondContact O-N 2.88Å; V294-E296 VanDerWaalsContact C-N 3.35Å; V294-E296 PolarHBondContact O-N 3.31Å; E296-K299 PolarHBondContact O-N 3.28Å; E296-R300 VanDerWaalsContact CG-CZ 3.5Å; E296-R300 VanDerWaalsContact CG-NH1 3.28Å; E296-R300 WeakPolarHBondContact O-CG 3.39Å; E296-R300 PolarHBondContact O-N 3.26Å; E296-R300 IonicContact OE1-CZ 3.44Å; E296-R300 IonicContact OE1-NE 3.58Å; E296-R300 IonicContact OE1-NH2 2.78Å; E296-R300 PolarHBondContact OE1-NH2 3.42Å |
| 297 | A | 79.8 | Confident | 78.1 | Confident | 57 Ų | 57 | 61.2 Ų | 61.2 | 47% | 0.471 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A293 V294 R300 A301 | A293-A297 VanDerWaalsContact O-CB 3.29Å; A293-A297 WeakPolarHBondContact O-CB 3.2Å; A293-A297 PolarHBondContact O-N 3.06Å; V294-A297 PolarHBondContact O-N 3.37Å; A297-R300 PolarHBondContact O-N 3.37Å; A297-A301 WeakPolarHBondContact O-CB 3.29Å; A297-A301 PolarHBondContact O-N 3.15Å |
| 298 | I | 80.4 | Confident | 78 | Confident | 28 Ų | 28 | 62.9 Ų | 62.9 | 14% | 0.144 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.5 | -44 | 177 | -67.1 | 168.1 | 0 | 0 | 0 | 110.3 | V294 R300 A301 F302 F311 T315 I318 | V294-I298 HydrophobicContact CG1-CD1 3.71Å; V294-I298 HydrophobicContact CG1-CG1 4.38Å; V294-I298 VanDerWaalsContact O-CG1 3.32Å; V294-I298 WeakPolarHBondContact O-CG1 3.16Å; V294-I298 PolarHBondContact O-N 3.2Å; I298-R300 VanDerWaalsContact C-N 3.29Å; I298-R300 PolarHBondContact O-N 3.21Å; I298-A301 PolarHBondContact O-N 3.36Å; I298-F302 HydrophobicContact CG2-CD2 3.88Å; I298-F302 HydrophobicContact CG2-CE2 4.03Å; I298-F302 WeakPolarHBondContact O-CD2 3.33Å; I298-F302 PolarHBondContact O-N 3.28Å; I298-F302 VanDerWaalsContact O-N 3.17Å; I298-F311 HydrophobicContact CG2-CE2 4.48Å; I298-F311 HydrophobicContact CG2-CZ 4.04Å; I298-T315 HydrophobicContact CB-CG2 3.69Å; I298-T315 HydrophobicContact CD1-CG2 3.88Å; I298-T315 HydrophobicContact CG1-CG2 4.38Å; I298-T315 HydrophobicContact CG2-CG2 3.58Å; I298-T315 WeakPolarHBondContact CG2-OG1 3.21Å; I298-I318 HydrophobicContact CD1-CB 4.31Å; I298-I318 HydrophobicContact CD1-CG2 3.93Å |
| 299 | K | 75.1 | Confident | 78 | Confident | 58 Ų | 58 | 70.7 Ų | 70.7 | 25% | 0.252 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.7 | -41.5 | 178.4 | -169.8 | -178.4 | 178.1 | -171.5 | 0 | 112.2 | Y295 E296 S303 V304 | Y295-K299 WeakPolarHBondContact O-CB 3.41Å; Y295-K299 PolarHBondContact O-N 3.17Å; E296-K299 PolarHBondContact O-N 3.28Å; K299-S303 PolarHBondContact O-N 3.28Å; K299-V304 WeakPolarHBondContact CE-O 3.36Å; K299-V304 WeakPolarHBondContact CG-O 3.1Å; K299-V304 PolarHBondContact O-N 3.3Å; K299-V304 VanDerWaalsContact O-N 3.11Å |
| 300 | R | 73.7 | Confident | 78.2 | Confident | 109 Ų | 109 | 75.7 Ų | 75.7 | 41% | 0.411 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -71.2 | -41.9 | 176.2 | -71.1 | -169 | -174.7 | 109.1 | 5.6 | 113.1 | E296 A297 I298 F302 S303 | E296-R300 VanDerWaalsContact CG-CZ 3.5Å; E296-R300 VanDerWaalsContact CG-NH1 3.28Å; E296-R300 WeakPolarHBondContact O-CG 3.39Å; E296-R300 PolarHBondContact O-N 3.26Å; E296-R300 IonicContact OE1-CZ 3.44Å; E296-R300 IonicContact OE1-NE 3.58Å; E296-R300 IonicContact OE1-NH2 2.78Å; E296-R300 PolarHBondContact OE1-NH2 3.42Å; A297-R300 PolarHBondContact O-N 3.37Å; I298-R300 VanDerWaalsContact C-N 3.29Å; I298-R300 PolarHBondContact O-N 3.21Å; R300-F302 PolarHBondContact O-N 3.31Å; R300-S303 PolarHBondContact O-N 3.23Å |
| 301 | A | 79.9 | Confident | 78.2 | Confident | 80 Ų | 80 | 76.1 Ų | 76.1 | 66% | 0.661 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -57.2 | -36.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A297 I298 | A297-A301 WeakPolarHBondContact O-CB 3.29Å; A297-A301 PolarHBondContact O-N 3.15Å; I298-A301 PolarHBondContact O-N 3.36Å |
| 302 | F | 80.3 | Confident | 78.2 | Confident | 144 Ų | 144 | 74.4 Ų | 74.4 | 63% | 0.632 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 3.1 | 176.7 | -68.3 | -80.5 | 0 | 0 | 0 | 113.9 | I298 R300 V304 F311 | I298-F302 HydrophobicContact CG2-CD2 3.88Å; I298-F302 HydrophobicContact CG2-CE2 4.03Å; I298-F302 WeakPolarHBondContact O-CD2 3.33Å; I298-F302 PolarHBondContact O-N 3.28Å; I298-F302 VanDerWaalsContact O-N 3.17Å; R300-F302 PolarHBondContact O-N 3.31Å; F302-V304 HydrophobicContact CB-CG2 3.59Å; F302-V304 WeakPolarHBondContact O-CG2 3.44Å; F302-V304 PolarHBondContact O-N 3.18Å; F302-V304 VanDerWaalsContact O-N 3.09Å; F302-F311 HydrophobicContact CB-CE2 4.01Å; F302-F311 HydrophobicContact CB-CZ 4.11Å; F302-F311 AromaticContact CD2-CE2 3.89Å; F302-F311 HydrophobicContact CD2-CE2 3.89Å; F302-F311 HydrophobicContact CD2-CZ 4.17Å; F302-F311 AromaticContact CG-CE2 4Å; F302-F311 HydrophobicContact CG-CE2 4Å; F302-F311 HydrophobicContact CG-CZ 4.41Å |
| 303 | S | 74.9 | Confident | 78.5 | Confident | 102 Ų | 102 | 78.2 Ų | 78.2 | 71% | 0.713 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 35.4 | -177.3 | -62.4 | 0 | 0 | 0 | 0 | 113.7 | K299 R300 T305 | K299-S303 PolarHBondContact O-N 3.28Å; R300-S303 PolarHBondContact O-N 3.23Å; S303-T305 PolarHBondContact O-N 3.02Å |
| 304 | V | 71 | Confident | 78.9 | Confident | 35 Ų | 35 | 80.8 Ų | 80.8 | 21% | 0.212 | 43% | 0.433 | C | S | . | . | trans | -83.1 | 106.2 | -173.8 | 177.8 | 0 | 0 | 0 | 0 | 109.3 | K299 F302 E306 P307 F311 | K299-V304 WeakPolarHBondContact CE-O 3.36Å; K299-V304 WeakPolarHBondContact CG-O 3.1Å; K299-V304 PolarHBondContact O-N 3.3Å; K299-V304 VanDerWaalsContact O-N 3.11Å; F302-V304 HydrophobicContact CB-CG2 3.59Å; F302-V304 WeakPolarHBondContact O-CG2 3.44Å; F302-V304 PolarHBondContact O-N 3.18Å; F302-V304 VanDerWaalsContact O-N 3.09Å; V304-E306 VanDerWaalsContact CG1-C 3.5Å; V304-E306 VanDerWaalsContact CG1-O 3.31Å; V304-E306 WeakPolarHBondContact CG1-O 3.45Å; V304-P307 HydrophobicContact CG1-CB 4.09Å; V304-F311 HydrophobicContact CB-CE1 4.1Å; V304-F311 HydrophobicContact CB-CZ 4.16Å; V304-F311 HydrophobicContact CG1-CD1 4.26Å; V304-F311 HydrophobicContact CG1-CE1 4.13Å; V304-F311 HydrophobicContact CG2-CD2 4.48Å; V304-F311 HydrophobicContact CG2-CE1 4.11Å; V304-F311 HydrophobicContact CG2-CE2 3.96Å; V304-F311 HydrophobicContact CG2-CZ 3.74Å | ||
| 305 | T | 61.1 | Low | 79 | Confident | 129 Ų | 129 | 79.5 Ų | 79.5 | 79% | 0.791 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -74.5 | -43.7 | 173.6 | 45.1 | 0 | 0 | 0 | 0 | 111.4 | S303 | S303-T305 PolarHBondContact O-N 3.02Š|
| 306 | E | 67.6 | Low | 79.3 | Confident | 136 Ų | 136 | 78.5 Ų | 78.5 | 64% | 0.636 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -116.8 | 105.3 | 175.6 | -67.4 | -169.4 | 178 | 0 | 0 | 111.3 | V304 T308 | V304-E306 VanDerWaalsContact CG1-C 3.5Å; V304-E306 VanDerWaalsContact CG1-O 3.31Å; V304-E306 WeakPolarHBondContact CG1-O 3.45Å; E306-T308 PolarHBondContact O-N 3.46Å |
| 307 | P | 71.1 | Confident | 79.9 | Confident | 50 Ų | 50 | 79.4 Ų | 79.4 | 33% | 0.325 | 44% | 0.44 | S | S | . | . | trans | -76.1 | 128.5 | -179.7 | 31.3 | -34.3 | 0 | 0 | 0 | 111.3 | V304 F311 S312 | V304-P307 HydrophobicContact CG1-CB 4.09Å; P307-F311 HydrophobicContact CB-CD1 3.74Å; P307-F311 HydrophobicContact CB-CE1 4.35Å; P307-S312 WeakPolarHBondContact CB-OG 3.23Å | ||
| 308 | T | 85.1 | Confident | 80.4 | Confident | 96 Ų | 96 | 81 Ų | 81 | 59% | 0.589 | 44% | 0.439 | S | S | * | . | trans | -71.1 | 159.2 | 169.3 | 53.7 | 0 | 0 | 0 | 0 | 110.8 | E306 L310 F311 S312 | E306-T308 PolarHBondContact O-N 3.46Å; T308-L310 VanDerWaalsContact C-N 3.3Å; T308-L310 PolarHBondContact O-N 3.31Å; T308-F311 PolarHBondContact O-N 2.95Å; T308-F311 VanDerWaalsContact O-N 3.13Å; T308-F311 WeakPolarHBondContact OG1-CB 3.32Å; T308-S312 PolarHBondContact O-N 2.85Å | ||
| 309 | F | 84.5 | Confident | 80.7 | Confident | 172 Ų | 172 | 79.6 Ų | 79.6 | 75% | 0.754 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -51.7 | -48 | 178.8 | 172.6 | -97.2 | 0 | 0 | 0 | 112.5 | F311 S312 F313 | F309-F311 VanDerWaalsContact C-N 3.35Å; F309-F311 PolarHBondContact O-N 3.37Å; F309-S312 PolarHBondContact O-N 3.42Å; F309-F313 VanDerWaalsContact O-CB 3.3Å; F309-F313 WeakPolarHBondContact O-CB 3.25Å; F309-F313 PolarHBondContact O-N 2.93Å |
| 310 | L | 84.8 | Confident | 81.3 | Confident | 110 Ų | 110 | 77.6 Ų | 77.6 | 58% | 0.576 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.4 | -40 | -178.4 | -174.6 | 65.2 | 0 | 0 | 0 | 111.6 | T308 F313 L314 | T308-L310 VanDerWaalsContact C-N 3.3Å; T308-L310 PolarHBondContact O-N 3.31Å; L310-F313 PolarHBondContact O-N 2.92Å; L310-L314 HydrophobicContact CD1-CD1 4.19Å; L310-L314 HydrophobicContact CD1-CG 4.26Å; L310-L314 HydrophobicContact CG-CD1 3.97Å; L310-L314 HydrophobicContact CG-CG 4.41Å; L310-L314 WeakPolarHBondContact O-CB 3.16Å; L310-L314 VanDerWaalsContact O-CG 3.3Å; L310-L314 WeakPolarHBondContact O-CG 3.25Å; L310-L314 PolarHBondContact O-N 3.26Å |
| 311 | F | 84.9 | Confident | 82 | Confident | 37 Ų | 37 | 75.4 Ų | 75.4 | 16% | 0.162 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.7 | -51.6 | 175.4 | -177.5 | -93.2 | 0 | 0 | 0 | 110.8 | I298 F302 V304 P307 T308 F309 F313 L314 T315 | I298-F311 HydrophobicContact CG2-CE2 4.48Å; I298-F311 HydrophobicContact CG2-CZ 4.04Å; F302-F311 HydrophobicContact CB-CE2 4.01Å; F302-F311 HydrophobicContact CB-CZ 4.11Å; F302-F311 AromaticContact CD2-CE2 3.89Å; F302-F311 HydrophobicContact CD2-CE2 3.89Å; F302-F311 HydrophobicContact CD2-CZ 4.17Å; F302-F311 AromaticContact CG-CE2 4Å; F302-F311 HydrophobicContact CG-CE2 4Å; F302-F311 HydrophobicContact CG-CZ 4.41Å; V304-F311 HydrophobicContact CB-CE1 4.1Å; V304-F311 HydrophobicContact CB-CZ 4.16Å; V304-F311 HydrophobicContact CG1-CD1 4.26Å; V304-F311 HydrophobicContact CG1-CE1 4.13Å; V304-F311 HydrophobicContact CG2-CD2 4.48Å; V304-F311 HydrophobicContact CG2-CE1 4.11Å; V304-F311 HydrophobicContact CG2-CE2 3.96Å; V304-F311 HydrophobicContact CG2-CZ 3.74Å; P307-F311 HydrophobicContact CB-CD1 3.74Å; P307-F311 HydrophobicContact CB-CE1 4.35Å; T308-F311 PolarHBondContact O-N 2.95Å; T308-F311 VanDerWaalsContact O-N 3.13Å; T308-F311 WeakPolarHBondContact OG1-CB 3.32Å; F309-F311 VanDerWaalsContact C-N 3.35Å; F309-F311 PolarHBondContact O-N 3.37Å; F311-F313 VanDerWaalsContact C-N 3.28Å; F311-F313 PolarHBondContact O-N 2.95Å; F311-L314 PolarHBondContact O-N 3.48Å; F311-T315 VanDerWaalsContact O-CB 3.25Å; F311-T315 WeakPolarHBondContact O-CB 3.34Å; F311-T315 PolarHBondContact O-N 3.49Å; F311-T315 PolarHBondContact O-OG1 2.97Å |
| 312 | S | 83.9 | Confident | 82.4 | Confident | 37 Ų | 37 | 74.5 Ų | 74.5 | 26% | 0.259 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.7 | -39.6 | 176.2 | -74.8 | 0 | 0 | 0 | 0 | 112.9 | P307 T308 F309 G316 | P307-S312 WeakPolarHBondContact CB-OG 3.23Å; T308-S312 PolarHBondContact O-N 2.85Å; F309-S312 PolarHBondContact O-N 3.42Å; S312-G316 PolarHBondContact O-N 3.42Å |
| 313 | F | 88.1 | Confident | 82.5 | Confident | 126 Ų | 126 | 67.7 Ų | 67.7 | 55% | 0.553 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.9 | -49.8 | 178.1 | -179.9 | -96.5 | 0 | 0 | 0 | 112 | F309 L310 F311 G316 A317 | F309-F313 VanDerWaalsContact O-CB 3.3Å; F309-F313 WeakPolarHBondContact O-CB 3.25Å; F309-F313 PolarHBondContact O-N 2.93Å; L310-F313 PolarHBondContact O-N 2.92Å; F311-F313 VanDerWaalsContact C-N 3.28Å; F311-F313 PolarHBondContact O-N 2.95Å; F313-G316 PolarHBondContact O-N 3.26Å; F313-A317 WeakPolarHBondContact O-CB 3.49Å; F313-A317 PolarHBondContact O-N 3.08Å |
| 314 | L | 90 | Very high | 82.9 | Confident | 89 Ų | 89 | 69.3 Ų | 69.3 | 47% | 0.466 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.1 | -45.1 | -179.4 | -69.6 | 174.1 | 0 | 0 | 0 | 111.8 | L310 F311 G316 A317 I318 | L310-L314 HydrophobicContact CD1-CD1 4.19Å; L310-L314 HydrophobicContact CD1-CG 4.26Å; L310-L314 HydrophobicContact CG-CD1 3.97Å; L310-L314 HydrophobicContact CG-CG 4.41Å; L310-L314 WeakPolarHBondContact O-CB 3.16Å; L310-L314 VanDerWaalsContact O-CG 3.3Å; L310-L314 WeakPolarHBondContact O-CG 3.25Å; L310-L314 PolarHBondContact O-N 3.26Å; F311-L314 PolarHBondContact O-N 3.48Å; L314-G316 VanDerWaalsContact C-N 3.31Å; L314-G316 PolarHBondContact O-N 3.07Å; L314-A317 PolarHBondContact O-N 3.21Å; L314-I318 VanDerWaalsContact O-CG1 3.29Å; L314-I318 WeakPolarHBondContact O-CG1 3.25Å; L314-I318 PolarHBondContact O-N 3.33Å |
| 315 | T | 85.9 | Confident | 83.3 | Confident | 4 Ų | 4 | 69.6 Ų | 69.6 | 3% | 0.025 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 175.7 | -60.9 | 0 | 0 | 0 | 0 | 111.1 | Y295 I298 F311 S319 | Y295-T315 HydrophobicContact CD2-CG2 3.67Å; Y295-T315 HydrophobicContact CE2-CG2 4.04Å; Y295-T315 HydrophobicContact CG-CG2 4.25Å; I298-T315 HydrophobicContact CB-CG2 3.69Å; I298-T315 HydrophobicContact CD1-CG2 3.88Å; I298-T315 HydrophobicContact CG1-CG2 4.38Å; I298-T315 HydrophobicContact CG2-CG2 3.58Å; I298-T315 WeakPolarHBondContact CG2-OG1 3.21Å; F311-T315 VanDerWaalsContact O-CB 3.25Å; F311-T315 WeakPolarHBondContact O-CB 3.34Å; F311-T315 PolarHBondContact O-N 3.49Å; F311-T315 PolarHBondContact O-OG1 2.97Å; T315-S319 VanDerWaalsContact O-CB 3.32Å; T315-S319 WeakPolarHBondContact O-CB 3.35Å; T315-S319 PolarHBondContact O-N 3.46Å; T315-S319 PolarHBondContact O-OG 3.01Å |
| 316 | G | 86.6 | Confident | 84.2 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S312 F313 L314 S319 G320 | S312-G316 PolarHBondContact O-N 3.42Å; F313-G316 PolarHBondContact O-N 3.26Å; L314-G316 VanDerWaalsContact C-N 3.31Å; L314-G316 PolarHBondContact O-N 3.07Å; G316-S319 PolarHBondContact O-N 3.15Å; G316-G320 PolarHBondContact O-N 2.71Å |
| 317 | A | 88.4 | Confident | 84.5 | Confident | 55 Ų | 55 | 63.7 Ų | 63.7 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F313 L314 G320 A321 | F313-A317 WeakPolarHBondContact O-CB 3.49Å; F313-A317 PolarHBondContact O-N 3.08Å; L314-A317 PolarHBondContact O-N 3.21Å; A317-G320 PolarHBondContact O-N 3.44Å; A317-A321 WeakPolarHBondContact O-CB 3.44Å; A317-A321 PolarHBondContact O-N 3.45Å |
| 318 | I | 90.9 | Very high | 84.5 | Confident | 89 Ų | 89 | 65.2 Ų | 65.2 | 46% | 0.456 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 175.8 | -66.5 | 164.8 | 0 | 0 | 0 | 110.2 | I298 L314 G320 A321 V322 | I298-I318 HydrophobicContact CD1-CB 4.31Å; I298-I318 HydrophobicContact CD1-CG2 3.93Å; L314-I318 VanDerWaalsContact O-CG1 3.29Å; L314-I318 WeakPolarHBondContact O-CG1 3.25Å; L314-I318 PolarHBondContact O-N 3.33Å; I318-G320 VanDerWaalsContact C-N 3.31Å; I318-G320 PolarHBondContact O-N 2.99Å; I318-A321 PolarHBondContact O-N 3.29Å; I318-V322 HydrophobicContact CG2-CG2 4.42Å; I318-V322 VanDerWaalsContact O-CG2 3.32Å; I318-V322 WeakPolarHBondContact O-CG2 3.26Å; I318-V322 PolarHBondContact O-N 3.36Å |
| 319 | S | 87.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 178.9 | -55.1 | 0 | 0 | 0 | 0 | 111.9 | V294 Y295 T315 G316 G323 | V294-S319 WeakPolarHBondContact CG1-OG 3.07Å; Y295-S319 PolarHBondContact N-OG 3.31Å; T315-S319 VanDerWaalsContact O-CB 3.32Å; T315-S319 WeakPolarHBondContact O-CB 3.35Å; T315-S319 PolarHBondContact O-N 3.46Å; T315-S319 PolarHBondContact O-OG 3.01Å; G316-S319 PolarHBondContact O-N 3.15Å; S319-G323 PolarHBondContact O-N 2.75Å |
| 320 | G | 86.4 | Confident | 82.7 | Confident | 16 Ų | 16 | 58.6 Ų | 58.6 | 17% | 0.165 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64 | -47.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G316 A317 I318 V322 G323 E324 | G316-G320 PolarHBondContact O-N 2.71Å; A317-G320 PolarHBondContact O-N 3.44Å; I318-G320 VanDerWaalsContact C-N 3.31Å; I318-G320 PolarHBondContact O-N 2.99Å; G320-V322 PolarHBondContact O-N 3.39Å; G320-G323 PolarHBondContact O-N 3.48Å; G320-E324 PolarHBondContact O-N 3.41Å |
| 321 | A | 88.8 | Confident | 81.6 | Confident | 63 Ų | 63 | 57.9 Ų | 57.9 | 52% | 0.521 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A317 I318 G325 | A317-A321 WeakPolarHBondContact O-CB 3.44Å; A317-A321 PolarHBondContact O-N 3.45Å; I318-A321 PolarHBondContact O-N 3.29Å; A321-G325 PolarHBondContact O-N 3.47Å; A321-G325 VanDerWaalsContact O-N 3.07Å |
| 322 | V | 88.4 | Confident | 80.3 | Confident | 60 Ų | 60 | 64.3 Ų | 64.3 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65 | -46.1 | 176.1 | 174 | 0 | 0 | 0 | 0 | 110.8 | T290 V294 I318 G320 E324 G325 E326 | T290-V322 HydrophobicContact CG2-CG1 4.2Å; V294-V322 HydrophobicContact CG2-CB 4.46Å; V294-V322 HydrophobicContact CG2-CG1 4.05Å; I318-V322 HydrophobicContact CG2-CG2 4.42Å; I318-V322 VanDerWaalsContact O-CG2 3.32Å; I318-V322 WeakPolarHBondContact O-CG2 3.26Å; I318-V322 PolarHBondContact O-N 3.36Å; G320-V322 PolarHBondContact O-N 3.39Å; V322-E324 PolarHBondContact O-N 3.47Å; V322-G325 PolarHBondContact O-N 2.86Å; V322-E326 PolarHBondContact O-N 3.33Å |
| 323 | G | 83.1 | Confident | 78.8 | Confident | 2 Ų | 2 | 72.5 Ų | 72.5 | 2% | 0.021 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.7 | -41 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | S319 G320 Q327 | S319-G323 PolarHBondContact O-N 2.75Å; G320-G323 PolarHBondContact O-N 3.48Å; G323-Q327 WeakPolarHBondContact O-CB 3.38Å; G323-Q327 PolarHBondContact O-N 2.98Å |
| 324 | E | 81.6 | Confident | 76.5 | Confident | 136 Ų | 136 | 73.6 Ų | 73.6 | 64% | 0.636 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.9 | -39.3 | 175.4 | -73.8 | -173.6 | 160.9 | 0 | 0 | 112.5 | F287 G320 V322 Q327 C328 | F287-E324 HydrophobicContact CE2-CG 4.22Å; G320-E324 PolarHBondContact O-N 3.41Å; V322-E324 PolarHBondContact O-N 3.47Å; E324-Q327 PolarHBondContact O-N 2.98Å; E324-C328 WeakPolarHBondContact O-CB 3.13Å; E324-C328 PolarHBondContact O-N 3.33Å |
| 325 | G | 80.9 | Confident | 74.2 | Confident | 41 Ų | 41 | 78.9 Ų | 78.9 | 42% | 0.423 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A321 V322 C328 S329 | A321-G325 PolarHBondContact O-N 3.47Å; A321-G325 VanDerWaalsContact O-N 3.07Å; V322-G325 PolarHBondContact O-N 2.86Å; G325-C328 PolarHBondContact O-N 2.74Å; G325-S329 PolarHBondContact O-N 3.15Å |
| 326 | E | 79.1 | Confident | 73.7 | Confident | 105 Ų | 105 | 82.7 Ų | 82.7 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 176.9 | -72 | -167.7 | 132.4 | 0 | 0 | 112.1 | T290 V322 C328 S329 A330 | T290-E326 WeakPolarHBondContact CG2-OE2 3.48Å; T290-E326 PolarHBondContact OG1-OE2 2.82Å; V322-E326 PolarHBondContact O-N 3.33Å; E326-C328 VanDerWaalsContact C-N 3.3Å; E326-C328 PolarHBondContact O-N 3.12Å; E326-S329 PolarHBondContact O-N 2.04Å; E326-A330 WeakPolarHBondContact O-CB 3.15Å; E326-A330 PolarHBondContact O-N 3.38Å |
| 327 | Q | 74.8 | Confident | 73 | Confident | 36 Ų | 36 | 86.3 Ų | 86.3 | 17% | 0.168 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -62 | -39 | 178.5 | -166.9 | 68.3 | 40.3 | 0 | 0 | 111.9 | R283 G323 E324 T331 | R283-Q327 HydrophobicContact CG-CG 4.17Å; R283-Q327 PolarHBondContact O-OE1 3.18Å; G323-Q327 WeakPolarHBondContact O-CB 3.38Å; G323-Q327 PolarHBondContact O-N 2.98Å; E324-Q327 PolarHBondContact O-N 2.98Å; Q327-T331 PolarHBondContact O-N 3.26Å; Q327-T331 PolarHBondContact O-OG1 3.47Å |
| 328 | C | 70 | Confident | 72.1 | Confident | 82 Ų | 82 | 88 Ų | 88 | 55% | 0.554 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.9 | -43.6 | 176.1 | -168.2 | 0 | 0 | 0 | 0 | 111.5 | E324 G325 E326 T331 H332 | E324-C328 WeakPolarHBondContact O-CB 3.13Å; E324-C328 PolarHBondContact O-N 3.33Å; G325-C328 PolarHBondContact O-N 2.74Å; E326-C328 VanDerWaalsContact C-N 3.3Å; E326-C328 PolarHBondContact O-N 3.12Å; C328-T331 PolarHBondContact O-N 3.18Å; C328-H332 PolarHBondContact O-N 2.63Å |
| 329 | S | 69.9 | Low | 71 | Confident | 66 Ų | 66 | 87.9 Ų | 87.9 | 46% | 0.462 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 177.7 | -168 | 0 | 0 | 0 | 0 | 112.3 | G325 E326 T331 H332 R333 | G325-S329 PolarHBondContact O-N 3.15Å; E326-S329 PolarHBondContact O-N 2.04Å; S329-T331 VanDerWaalsContact C-N 3.29Å; S329-T331 PolarHBondContact O-N 3.44Å; S329-H332 PolarHBondContact O-N 2.74Å; S329-R333 PolarHBondContact O-N 3.35Å |
| 330 | A | 63.3 | Low | 70 | Confident | 63 Ų | 63 | 93.4 Ų | 93.4 | 52% | 0.521 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.3 | -31.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | E326 | E326-A330 WeakPolarHBondContact O-CB 3.15Å; E326-A330 PolarHBondContact O-N 3.38Å |
| 331 | T | 60.8 | Low | 68.9 | Low | 94 Ų | 94 | 98.6 Ų | 98.6 | 58% | 0.577 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -75.1 | -33.2 | 178.8 | -54 | 0 | 0 | 0 | 0 | 111.9 | Q327 C328 S329 | Q327-T331 PolarHBondContact O-N 3.26Å; Q327-T331 PolarHBondContact O-OG1 3.47Å; C328-T331 PolarHBondContact O-N 3.18Å; S329-T331 VanDerWaalsContact C-N 3.29Å; S329-T331 PolarHBondContact O-N 3.44Å |
| 332 | H | 57.8 | Low | 67.4 | Low | 172 Ų | 172 | 101.1 Ų | 101.1 | 80% | 0.796 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -81.6 | -14.1 | 180 | -128.3 | -79.3 | 0 | 0 | 0 | 113.8 | C328 S329 | C328-H332 PolarHBondContact O-N 2.63Å; S329-H332 PolarHBondContact O-N 2.74Å |
| 333 | R | 51.3 | Low | 65.8 | Low | 209 Ų | 209 | 104.3 Ų | 104.3 | 79% | 0.789 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 20.4 | -179.3 | -151.7 | -171.2 | -87.6 | -170.5 | -5.9 | 113.5 | S329 | S329-R333 PolarHBondContact O-N 3.35Š|
| 334 | K | 40.3 | Very low | 64.4 | Low | 149 Ų | 149 | 112.8 Ų | 112.8 | 65% | 0.648 | 61% | 0.614 | S | S | * | * | trans | -83.3 | 126.1 | 166.8 | -75.3 | -166.5 | 176.9 | -173 | 0 | 109.2 | ||||
| 335 | P | 42.8 | Very low | 62.8 | Low | 201 Ų | 201 | 110.7 Ų | 110.7 | 100% | 1.305 | 61% | 0.612 | S | S | * | * | trans | -65.3 | 0 | 178.3 | 28.7 | -34.8 | 0 | 0 | 0 | 112.9 |
Retrieved 335 of 335 residues in 247.8 ms
(Link to these results)