| 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 | 54 | Low | 51.7 | Low | 250 Ų | 250 | 147.6 Ų | 147.6 | 100% | 1.232 | 86% | 0.855 | S | S | * | * | 0 | 110 | 0 | -71.6 | -167.7 | -173.9 | 0 | 0 | 108.3 | |||||
| 2 | A | 47.1 | Very low | 51.1 | Low | 100 Ų | 100 | 147.3 Ų | 147.3 | 83% | 0.826 | 85% | 0.848 | S | S | * | * | trans | -164.6 | 114.6 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 3 | C | 47.1 | Very low | 50.2 | Low | 136 Ų | 136 | 151.3 Ų | 151.3 | 92% | 0.919 | 85% | 0.85 | S | S | * | * | trans | -160 | 89.9 | 149.2 | -112.4 | 0 | 0 | 0 | 0 | 107.7 | A5 | C3-A5 PolarHBondContact O-N 3.34Š| ||
| 4 | G | 50.1 | Low | 50 | Low | 77 Ų | 77 | 149.9 Ų | 149.9 | 79% | 0.794 | 84% | 0.839 | S | S | * | * | trans | -75.4 | 108.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | T6 | G4-T6 PolarHBondContact O-N 3.07Š| ||
| 5 | A | 54.3 | Low | 49.8 | Very low | 94 Ų | 94 | 147.1 Ų | 147.1 | 78% | 0.777 | 83% | 0.831 | S | S | * | * | trans | -75.8 | 105.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | C3 L7 | C3-A5 PolarHBondContact O-N 3.34Å; A5-L7 PolarHBondContact O-N 2.83Å | ||
| 6 | T | 57.8 | Low | 49.8 | Very low | 138 Ų | 138 | 146.8 Ų | 146.8 | 85% | 0.847 | 83% | 0.825 | S | S | * | * | trans | -83.1 | 94.7 | 167.1 | 42.6 | 0 | 0 | 0 | 0 | 108.4 | G4 K8 | G4-T6 PolarHBondContact O-N 3.07Å; T6-K8 PolarHBondContact O-N 2.73Å | ||
| 7 | L | 50.6 | Low | 49.6 | Very low | 174 Ų | 174 | 147.8 Ų | 147.8 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | trans | -66.1 | 114.6 | 168.9 | -93.3 | 156.9 | 0 | 0 | 0 | 108.8 | A5 R9 | A5-L7 PolarHBondContact O-N 2.83Å; L7-R9 PolarHBondContact O-N 3.28Å | ||
| 8 | K | 58.8 | Low | 49 | Very low | 166 Ų | 166 | 146.1 Ų | 146.1 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | trans | -71.9 | 108.5 | -173.3 | -166.4 | -175.3 | -178.5 | -174.7 | 0 | 110.3 | T6 | T6-K8 PolarHBondContact O-N 2.73Š| ||
| 9 | R | 53.6 | Low | 48.8 | Very low | 199 Ų | 199 | 148.3 Ų | 148.3 | 75% | 0.751 | 83% | 0.827 | S | S | * | * | trans | 51.9 | 116.8 | 149.9 | -62.6 | -174.2 | -119.9 | 117.4 | -8.4 | 118.9 | L7 L11 | L7-R9 PolarHBondContact O-N 3.28Å; R9-L11 PolarHBondContact O-N 3.14Å | ||
| 10 | T | 48.4 | Very low | 48.2 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 76% | 0.761 | 82% | 0.824 | S | S | * | * | trans | -47.3 | 128.1 | 150 | 33.5 | 0 | 0 | 0 | 0 | 110.3 | D12 | T10-D12 VanDerWaalsContact C-N 3.28Å; T10-D12 PolarHBondContact O-N 2.81Å | ||
| 11 | L | 46.7 | Very low | 47.7 | Very low | 166 Ų | 166 | 144.4 Ų | 144.4 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | trans | -71.4 | 88.6 | 164.8 | -82.5 | 161.3 | 0 | 0 | 0 | 107.5 | R9 F13 | R9-L11 PolarHBondContact O-N 3.14Å; L11-F13 PolarHBondContact O-N 2.94Å | ||
| 12 | D | 44.2 | Very low | 47.5 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | trans | -65 | 114.7 | 156.1 | -89.9 | -61.8 | 0 | 0 | 0 | 107.2 | T10 D14 | T10-D12 VanDerWaalsContact C-N 3.28Å; T10-D12 PolarHBondContact O-N 2.81Å; D12-D14 PolarHBondContact O-N 3.29Å | ||
| 13 | F | 40.3 | Very low | 47.5 | Very low | 200 Ų | 200 | 143 Ų | 143 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -63.7 | 103.7 | 166.5 | -99 | -98.5 | 0 | 0 | 0 | 107.6 | L11 P15 | L11-F13 PolarHBondContact O-N 2.94Å; F13-P15 WeakPolarHBondContact O-CD 3.29Å | ||
| 14 | D | 46.8 | Very low | 47.9 | Very low | 131 Ų | 131 | 148.4 Ų | 148.4 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -64.8 | 115.7 | 173.3 | -174.2 | 14.4 | 0 | 0 | 0 | 110 | D12 L16 | D12-D14 PolarHBondContact O-N 3.29Å; D14-L16 PolarHBondContact O-N 3.3Å | ||
| 15 | P | 46.5 | Very low | 48 | Very low | 109 Ų | 109 | 156.5 Ų | 156.5 | 71% | 0.708 | 81% | 0.813 | S | S | * | * | trans | -70.1 | 97.2 | 169.2 | -13.6 | 31 | 0 | 0 | 0 | 108.3 | F13 M17 | F13-P15 WeakPolarHBondContact O-CD 3.29Å; P15-M17 PolarHBondContact O-N 3.15Å | ||
| 16 | L | 50.3 | Low | 48 | Very low | 141 Ų | 141 | 163.9 Ų | 163.9 | 74% | 0.738 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -57.2 | 90.3 | 160.7 | -73.5 | 172.8 | 0 | 0 | 0 | 108.3 | D14 | D14-L16 PolarHBondContact O-N 3.3Š|
| 17 | M | 46.2 | Very low | 47.2 | Very low | 164 Ų | 164 | 163.5 Ų | 163.5 | 81% | 0.808 | 82% | 0.823 | S | S | * | * | trans | -177.9 | 52.6 | 150.4 | -85.3 | -38.7 | 94.8 | 0 | 0 | 109.9 | P15 Q19 | P15-M17 PolarHBondContact O-N 3.15Å; M17-Q19 VanDerWaalsContact C-N 3.29Å; M17-Q19 PolarHBondContact O-N 3.19Å; M17-Q19 VanDerWaalsContact O-N 3.09Å | ||
| 18 | S | 39.7 | Very low | 47.5 | Very low | 118 Ų | 118 | 159 Ų | 159 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -77.7 | 83.4 | 158.8 | 166.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 19 | Q | 44.3 | Very low | 46.8 | Very low | 188 Ų | 188 | 157.1 Ų | 157.1 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -132 | 86.7 | 153.2 | -78.4 | -156.9 | 15.2 | 0 | 0 | 109.7 | M17 | M17-Q19 VanDerWaalsContact C-N 3.29Å; M17-Q19 PolarHBondContact O-N 3.19Å; M17-Q19 VanDerWaalsContact O-N 3.09Å | ||
| 20 | A | 37.2 | Very low | 46.5 | Very low | 93 Ų | 93 | 153.9 Ų | 153.9 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | -148 | 76.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 21 | S | 38.1 | Very low | 46.4 | Very low | 122 Ų | 122 | 156.1 Ų | 156.1 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -87.9 | 114.3 | 150.6 | -75.6 | 0 | 0 | 0 | 0 | 107.7 | K23 | S21-K23 PolarHBondContact O-N 3.23Š| ||
| 22 | P | 49.8 | Very low | 46.6 | Very low | 121 Ų | 121 | 153.2 Ų | 153.2 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | trans | -87.2 | 97.1 | -172.3 | 31.3 | -31.2 | 0 | 0 | 0 | 111 | ||||
| 23 | K | 46.1 | Very low | 46.8 | Very low | 199 Ų | 199 | 152.2 Ų | 152.2 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -155.7 | 107.6 | 157.7 | -109.7 | 144.7 | -175.1 | 173.8 | 0 | 111.9 | S21 | S21-K23 PolarHBondContact O-N 3.23Š|
| 24 | R | 56.1 | Low | 47.2 | Very low | 250 Ų | 250 | 148.5 Ų | 148.5 | 94% | 0.943 | 81% | 0.81 | S | S | * | * | trans | 50.6 | 92.4 | 163 | -66.1 | 176.4 | 114.9 | -160.5 | 4.7 | 116.2 | ||||
| 25 | R | 51.4 | Low | 47.4 | Very low | 246 Ų | 246 | 147.9 Ų | 147.9 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | trans | -125.5 | 115.2 | 145.9 | -108.1 | -180 | 173.5 | -173 | -2.4 | 109.8 | C27 | R25-C27 PolarHBondContact O-N 3.16Š| ||
| 26 | R | 55.5 | Low | 47.4 | Very low | 249 Ų | 249 | 146 Ų | 146 | 94% | 0.94 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 128.3 | 171.2 | -127.8 | 174.2 | -177.2 | 177.6 | -0.8 | 108.4 | A28 | R26-A28 PolarHBondContact O-N 3.41Š|
| 27 | C | 40.8 | Very low | 47.2 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 120.3 | 174.1 | -66.4 | 0 | 0 | 0 | 0 | 109.3 | R25 | R25-C27 PolarHBondContact O-N 3.16Š|
| 28 | A | 56.2 | Low | 47.3 | Very low | 79 Ų | 79 | 144 Ų | 144 | 65% | 0.653 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 142.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | R26 V30 | R26-A28 PolarHBondContact O-N 3.41Å; A28-V30 PolarHBondContact O-N 3.11Å; A28-V30 VanDerWaalsContact O-N 3.1Å |
| 29 | P | 44 | Very low | 47.7 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | -68 | 113.8 | -179.3 | 28.8 | -32.3 | 0 | 0 | 0 | 108.7 | M31 | P29-M31 PolarHBondContact O-N 3.34Å; P29-M31 VanDerWaalsContact O-N 3.16Å | ||
| 30 | V | 47.3 | Very low | 48.2 | Very low | 130 Ų | 130 | 148.5 Ų | 148.5 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | trans | -69.4 | 109.1 | 169.2 | 177.1 | 0 | 0 | 0 | 0 | 106.3 | A28 S32 | A28-V30 PolarHBondContact O-N 3.11Å; A28-V30 VanDerWaalsContact O-N 3.1Å; V30-S32 PolarHBondContact O-N 3.36Å | ||
| 31 | M | 47.6 | Very low | 48.7 | Very low | 172 Ų | 172 | 151.3 Ų | 151.3 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | -60 | 117.3 | 166.2 | -62.4 | -118.4 | 74.8 | 0 | 0 | 107.4 | P29 | P29-M31 PolarHBondContact O-N 3.34Å; P29-M31 VanDerWaalsContact O-N 3.16Å | ||
| 32 | S | 50.8 | Low | 49.4 | Very low | 105 Ų | 105 | 152.8 Ų | 152.8 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -56.3 | 126.9 | 171.4 | -52.8 | 0 | 0 | 0 | 0 | 108.7 | V30 V34 | V30-S32 PolarHBondContact O-N 3.36Å; S32-V34 PolarHBondContact O-N 3.1Å | ||
| 33 | P | 48.8 | Very low | 49.8 | Very low | 122 Ų | 122 | 155 Ų | 155 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -68.5 | 109 | 169.2 | 27.2 | -28.2 | 0 | 0 | 0 | 106.9 | S35 | P33-S35 PolarHBondContact O-N 3.33Å; P33-S35 VanDerWaalsContact O-N 3.1Å | ||
| 34 | V | 47.1 | Very low | 50.7 | Low | 122 Ų | 122 | 150.8 Ų | 150.8 | 74% | 0.739 | 77% | 0.77 | S | S | * | * | trans | -47.5 | 118.3 | 159.9 | 152.9 | 0 | 0 | 0 | 0 | 106.8 | S32 S36 | S32-V34 PolarHBondContact O-N 3.1Å; V34-S36 PolarHBondContact O-N 3.04Å | ||
| 35 | S | 51.6 | Low | 51.4 | Low | 117 Ų | 117 | 143.4 Ų | 143.4 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -70 | 77.6 | 171.9 | 48.8 | 0 | 0 | 0 | 0 | 108.6 | P33 | P33-S35 PolarHBondContact O-N 3.33Å; P33-S35 VanDerWaalsContact O-N 3.1Å | ||
| 36 | S | 47 | Very low | 52.5 | Low | 69 Ų | 69 | 135.2 Ų | 135.2 | 48% | 0.483 | 74% | 0.735 | S | S | . | * | trans | -62.7 | 129.2 | 164.6 | -67.3 | 0 | 0 | 0 | 0 | 108.4 | V34 Q38 | V34-S36 PolarHBondContact O-N 3.04Å; S36-Q38 PolarHBondContact O-N 3.5Å | ||
| 37 | P | 46.8 | Very low | 52.8 | Low | 109 Ų | 109 | 129 Ų | 129 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -75 | 17.9 | -175.9 | 30.7 | -33.5 | 0 | 0 | 0 | 113.4 | K39 | P37-K39 PolarHBondContact O-N 3.01Š|
| 38 | Q | 47.9 | Very low | 53.5 | Low | 154 Ų | 154 | 131 Ų | 131 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -76 | -6.5 | -176.1 | -72.4 | -170.9 | -37.7 | 0 | 0 | 114.2 | S36 Y40 L41 | S36-Q38 PolarHBondContact O-N 3.5Å; Q38-Y40 PolarHBondContact O-N 2.93Å; Q38-L41 PolarHBondContact O-N 3.38Å |
| 39 | K | 48.3 | Very low | 53.9 | Low | 189 Ų | 189 | 129.4 Ų | 129.4 | 82% | 0.822 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -73.1 | -11.6 | 176.2 | -64.4 | -167.1 | -174.4 | -179.2 | 0 | 113.9 | P37 L41 R42 | P37-K39 PolarHBondContact O-N 3.01Å; K39-L41 PolarHBondContact O-N 2.88Å; K39-R42 PolarHBondContact O-N 3.09Å |
| 40 | Y | 53.1 | Low | 54.7 | Low | 213 Ų | 213 | 130.7 Ų | 130.7 | 84% | 0.835 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -72.2 | -9.1 | 173.7 | -84.2 | -85.2 | 0 | 0 | 0 | 114.4 | Q38 | Q38-Y40 PolarHBondContact O-N 2.93Š|
| 41 | L | 49.5 | Very low | 55.4 | Low | 151 Ų | 151 | 131.1 Ų | 131.1 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -88.9 | -2.1 | 174.1 | -68.1 | 176.2 | 0 | 0 | 0 | 113.6 | Q38 K39 M43 | Q38-L41 PolarHBondContact O-N 3.38Å; K39-L41 PolarHBondContact O-N 2.88Å; L41-M43 PolarHBondContact O-N 3.08Å |
| 42 | R | 52.7 | Low | 56.1 | Low | 153 Ų | 153 | 126.9 Ų | 126.9 | 58% | 0.577 | 70% | 0.697 | S | S | * | * | trans | -77.7 | 108.5 | 170.5 | -147.6 | -65 | -165.9 | 157 | 20.1 | 106.6 | K39 E44 | K39-R42 PolarHBondContact O-N 3.09Å; R42-E44 VanDerWaalsContact CZ-CG 3.45Å; R42-E44 IonicContact CZ-OE1 2.69Å; R42-E44 VanDerWaalsContact NH1-CA 3.25Å; R42-E44 VanDerWaalsContact NH1-CD 3.32Å; R42-E44 IonicContact NH1-OE1 2.97Å; R42-E44 PolarHBondContact NH1-OE1 3.44Å; R42-E44 IonicContact NH2-OE1 3.05Å; R42-E44 PolarHBondContact NH2-OE1 3.44Å; R42-E44 PolarHBondContact O-N 2.91Å | ||
| 43 | M | 57 | Low | 56.7 | Low | 169 Ų | 169 | 126.6 Ų | 126.6 | 83% | 0.833 | 70% | 0.695 | S | S | * | * | trans | -62.6 | 71.4 | 159.7 | -65.9 | -82.1 | 96.6 | 0 | 0 | 108.1 | L41 | L41-M43 PolarHBondContact O-N 3.08Š| ||
| 44 | E | 66.2 | Low | 57.6 | Low | 109 Ų | 109 | 130.1 Ų | 130.1 | 51% | 0.509 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -85.3 | 121.1 | 168.1 | -124.6 | -60.1 | 110.9 | 0 | 0 | 106.8 | R42 | R42-E44 VanDerWaalsContact CZ-CG 3.45Å; R42-E44 IonicContact CZ-OE1 2.69Å; R42-E44 VanDerWaalsContact NH1-CA 3.25Å; R42-E44 VanDerWaalsContact NH1-CD 3.32Å; R42-E44 IonicContact NH1-OE1 2.97Å; R42-E44 PolarHBondContact NH1-OE1 3.44Å; R42-E44 IonicContact NH2-OE1 3.05Å; R42-E44 PolarHBondContact NH2-OE1 3.44Å; R42-E44 PolarHBondContact O-N 2.91Å |
| 45 | P | 70.6 | Confident | 59.1 | Low | 96 Ų | 96 | 128.6 Ų | 128.6 | 62% | 0.623 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -56 | 143 | 167.6 | 24.9 | -31.8 | 0 | 0 | 0 | 109 | ||
| 46 | S | 73.7 | Confident | 60.7 | Low | 74 Ų | 74 | 126 Ų | 126 | 52% | 0.517 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -49 | 133.4 | -175.4 | 177.9 | 0 | 0 | 0 | 0 | 112 | F48 G49 | S46-F48 CarbonylContact O-C 3.59Å; S46-F48 PolarHBondContact O-N 3.29Å; S46-F48 VanDerWaalsContact O-N 3.14Å; S46-F48 PolarHBondContact OG-N 3.36Å; S46-G49 PolarHBondContact O-N 3.23Å; S46-G49 VanDerWaalsContact O-N 3.12Å |
| 47 | P | 62.8 | Low | 62.5 | Low | 119 Ų | 119 | 128 Ų | 128 | 77% | 0.773 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -65.3 | -14.2 | 174.5 | 26.5 | -33.1 | 0 | 0 | 0 | 112.6 | G49 | P47-G49 PolarHBondContact O-N 3.31Š|
| 48 | F | 54 | Low | 64.5 | Low | 172 Ų | 172 | 129 Ų | 129 | 75% | 0.754 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -90.2 | 56.5 | 164.4 | -56.4 | -80.6 | 0 | 0 | 0 | 110 | S46 | S46-F48 CarbonylContact O-C 3.59Å; S46-F48 PolarHBondContact O-N 3.29Å; S46-F48 VanDerWaalsContact O-N 3.14Å; S46-F48 PolarHBondContact OG-N 3.36Å |
| 49 | G | 66.3 | Low | 66.5 | Low | 44 Ų | 44 | 126.1 Ų | 126.1 | 45% | 0.454 | 65% | 0.65 | S | S | . | * | trans | -53.4 | 159.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111 | S46 P47 V51 | S46-G49 PolarHBondContact O-N 3.23Å; S46-G49 VanDerWaalsContact O-N 3.12Å; P47-G49 PolarHBondContact O-N 3.31Å; G49-V51 PolarHBondContact O-N 3.03Å | ||
| 50 | E | 59.7 | Low | 68.6 | Low | 156 Ų | 156 | 120.9 Ų | 120.9 | 73% | 0.729 | 63% | 0.63 | S | S | * | * | trans | -44.7 | 90.1 | -169.6 | -151 | 168.9 | -163.9 | 0 | 0 | 113.1 | S52 R54 | E50-S52 PolarHBondContact O-N 3.38Å; E50-R54 VanDerWaalsContact OE1-CD 3.25Å; E50-R54 WeakPolarHBondContact OE1-CD 3.43Å | ||
| 51 | V | 63.3 | Low | 70.6 | Confident | 139 Ų | 139 | 115.1 Ų | 115.1 | 84% | 0.842 | 61% | 0.613 | S | S | * | * | trans | -82.3 | 61.7 | -177.8 | -93.8 | 0 | 0 | 0 | 0 | 110.1 | G49 | G49-V51 PolarHBondContact O-N 3.03Š| ||
| 52 | S | 61.2 | Low | 72.7 | Confident | 82 Ų | 82 | 112.9 Ų | 112.9 | 57% | 0.573 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -178.8 | 128.4 | 157.6 | -167 | 0 | 0 | 0 | 0 | 104.3 | E50 R54 | E50-S52 PolarHBondContact O-N 3.38Å; S52-R54 PolarHBondContact O-N 3.49Å |
| 53 | S | 63.5 | Low | 74.6 | Confident | 99 Ų | 99 | 109.2 Ų | 109.2 | 69% | 0.692 | 59% | 0.59 | S | S | * | * | trans | -58.7 | 96.4 | 162.2 | 53.4 | 0 | 0 | 0 | 0 | 106.4 | L55 | S53-L55 VanDerWaalsContact C-N 3.3Å; S53-L55 PolarHBondContact O-N 3.35Å | ||
| 54 | R | 68.2 | Low | 76.4 | Confident | 197 Ų | 197 | 106.1 Ų | 106.1 | 74% | 0.743 | 58% | 0.576 | S | S | * | * | trans | -58.9 | 102.1 | 177 | -73.5 | -164 | 97.9 | -169.7 | 9.4 | 105.7 | E50 S52 T56 | E50-R54 VanDerWaalsContact OE1-CD 3.25Å; E50-R54 WeakPolarHBondContact OE1-CD 3.43Å; S52-R54 PolarHBondContact O-N 3.49Å; R54-T56 PolarHBondContact O-N 2.94Å; R54-T56 VanDerWaalsContact O-N 3.12Å | ||
| 55 | L | 77.5 | Confident | 77.8 | Confident | 89 Ų | 89 | 107 Ų | 107 | 47% | 0.466 | 58% | 0.578 | S | S | . | * | trans | -56.9 | 124 | 177.8 | -66.8 | 174.8 | 0 | 0 | 0 | 106.3 | S53 Q59 I60 | S53-L55 VanDerWaalsContact C-N 3.3Å; S53-L55 PolarHBondContact O-N 3.35Å; L55-Q59 HydrophobicContact CB-CB 4.48Å; L55-I60 HydrophobicContact CB-CD1 4.16Å; L55-I60 HydrophobicContact CB-CG1 3.69Å; L55-I60 HydrophobicContact CD1-CG1 4.47Å | ||
| 56 | T | 85.9 | Confident | 78.9 | Confident | 62 Ų | 62 | 107.4 Ų | 107.4 | 38% | 0.38 | 57% | 0.572 | S | S | . | * | trans | -64.5 | 155.2 | 178.8 | 78.3 | 0 | 0 | 0 | 0 | 108.7 | R54 E58 Q59 I60 | R54-T56 PolarHBondContact O-N 2.94Å; R54-T56 VanDerWaalsContact O-N 3.12Å; T56-E58 WeakPolarHBondContact CB-OE2 3.29Å; T56-E58 PolarHBondContact O-N 3.36Å; T56-E58 VanDerWaalsContact O-N 3.1Å; T56-E58 PolarHBondContact OG1-OE2 2.85Å; T56-Q59 WeakPolarHBondContact O-CB 3.47Å; T56-Q59 PolarHBondContact O-N 3.49Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.26Å; T56-Q59 PolarHBondContact OG1-N 3.35Å; T56-I60 WeakPolarHBondContact O-CG1 3.43Å; T56-I60 PolarHBondContact O-N 3Å | ||
| 57 | T | 84.1 | Confident | 79.8 | Confident | 111 Ų | 111 | 108.2 Ų | 108.2 | 68% | 0.681 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -53.2 | -36 | 178.5 | -51.9 | 0 | 0 | 0 | 0 | 111.3 | I60 L61 | T57-I60 PolarHBondContact O-N 3.49Å; T57-L61 WeakPolarHBondContact O-CB 3.4Å; T57-L61 PolarHBondContact O-N 3.39Å |
| 58 | E | 89.8 | Confident | 81.2 | Confident | 132 Ų | 132 | 108 Ų | 108 | 62% | 0.617 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.3 | -40.9 | 176.8 | -55.2 | 74.6 | -155.4 | 0 | 0 | 112.1 | T56 L61 H62 | T56-E58 WeakPolarHBondContact CB-OE2 3.29Å; T56-E58 PolarHBondContact O-N 3.36Å; T56-E58 VanDerWaalsContact O-N 3.1Å; T56-E58 PolarHBondContact OG1-OE2 2.85Å; E58-L61 PolarHBondContact O-N 3.18Å; E58-H62 VanDerWaalsContact O-CB 3.3Å; E58-H62 WeakPolarHBondContact O-CB 3.46Å; E58-H62 PolarHBondContact O-N 3.5Å |
| 59 | Q | 89.1 | Confident | 83 | Confident | 93 Ų | 93 | 107 Ų | 107 | 44% | 0.435 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.1 | -39.1 | 177.7 | -71.5 | 175.2 | -10.9 | 0 | 0 | 111.9 | L55 T56 H62 N63 | L55-Q59 HydrophobicContact CB-CB 4.48Å; T56-Q59 WeakPolarHBondContact O-CB 3.47Å; T56-Q59 PolarHBondContact O-N 3.49Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.26Å; T56-Q59 PolarHBondContact OG1-N 3.35Å; Q59-H62 PolarHBondContact O-N 3.44Å; Q59-N63 WeakPolarHBondContact O-CB 3.37Å; Q59-N63 PolarHBondContact O-N 2.86Å; Q59-N63 PolarHBondContact O-ND2 2.84Å |
| 60 | I | 93 | Very high | 84.3 | Confident | 78 Ų | 78 | 108.8 Ų | 108.8 | 40% | 0.4 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.1 | -48.5 | 174.8 | -63.4 | 170.6 | 0 | 0 | 0 | 109.4 | L55 T56 T57 H62 N63 I64 | L55-I60 HydrophobicContact CB-CD1 4.16Å; L55-I60 HydrophobicContact CB-CG1 3.69Å; L55-I60 HydrophobicContact CD1-CG1 4.47Å; T56-I60 WeakPolarHBondContact O-CG1 3.43Å; T56-I60 PolarHBondContact O-N 3Å; T57-I60 PolarHBondContact O-N 3.49Å; I60-H62 VanDerWaalsContact C-N 3.28Å; I60-H62 PolarHBondContact O-N 2.92Å; I60-N63 PolarHBondContact O-N 3.34Å; I60-I64 HydrophobicContact CG2-CD1 3.75Å; I60-I64 HydrophobicContact CG2-CG1 4.42Å; I60-I64 VanDerWaalsContact O-CG1 3.28Å; I60-I64 WeakPolarHBondContact O-CG1 3.45Å; I60-I64 PolarHBondContact O-N 2.95Å |
| 61 | L | 94.7 | Very high | 85.8 | Confident | 92 Ų | 92 | 104 Ų | 104 | 48% | 0.482 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.1 | -41.5 | 177.1 | -179.4 | 64 | 0 | 0 | 0 | 111.9 | T57 E58 I64 K65 | T57-L61 WeakPolarHBondContact O-CB 3.4Å; T57-L61 PolarHBondContact O-N 3.39Å; E58-L61 PolarHBondContact O-N 3.18Å; L61-I64 PolarHBondContact O-N 3.44Å; L61-K65 WeakPolarHBondContact O-CB 3.34Å; L61-K65 WeakPolarHBondContact O-CG 3.37Å; L61-K65 PolarHBondContact O-N 2.86Å |
| 62 | H | 94.3 | Very high | 86.8 | Confident | 105 Ų | 105 | 101.5 Ų | 101.5 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -48.4 | 177.2 | -172.3 | 79.1 | 0 | 0 | 0 | 111.8 | E58 Q59 I60 I64 K65 Q66 | E58-H62 VanDerWaalsContact O-CB 3.3Å; E58-H62 WeakPolarHBondContact O-CB 3.46Å; E58-H62 PolarHBondContact O-N 3.5Å; Q59-H62 PolarHBondContact O-N 3.44Å; I60-H62 VanDerWaalsContact C-N 3.28Å; I60-H62 PolarHBondContact O-N 2.92Å; H62-I64 PolarHBondContact O-N 3.19Å; H62-K65 PolarHBondContact O-N 3.46Å; H62-Q66 PolarHBondContact CD2-NE2 2.61Å; H62-Q66 PolarHBondContact NE2-NE2 3.19Å; H62-Q66 WeakPolarHBondContact O-CG 3.32Å; H62-Q66 PolarHBondContact O-N 3.28Å |
| 63 | N | 92.9 | Very high | 88 | Confident | 75 Ų | 75 | 106.5 Ų | 106.5 | 40% | 0.401 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 176.2 | -83.4 | -58.7 | 0 | 0 | 0 | 111.7 | Q59 I60 K65 Q66 E67 | Q59-N63 WeakPolarHBondContact O-CB 3.37Å; Q59-N63 PolarHBondContact O-N 2.86Å; Q59-N63 PolarHBondContact O-ND2 2.84Å; I60-N63 PolarHBondContact O-N 3.34Å; N63-K65 VanDerWaalsContact C-N 3.34Å; N63-K65 PolarHBondContact O-N 3.18Å; N63-Q66 PolarHBondContact O-N 3.47Å; N63-E67 WeakPolarHBondContact O-CB 3.23Å; N63-E67 VanDerWaalsContact O-CG 3.23Å; N63-E67 WeakPolarHBondContact O-CG 3.35Å; N63-E67 PolarHBondContact O-N 2.69Å |
| 64 | I | 94.9 | Very high | 89.2 | Confident | 104 Ų | 104 | 108.8 Ų | 108.8 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59 | -45.2 | 177.6 | -66.7 | 167.2 | 0 | 0 | 0 | 110.9 | I60 L61 H62 Q66 E67 Y68 | I60-I64 HydrophobicContact CG2-CD1 3.75Å; I60-I64 HydrophobicContact CG2-CG1 4.42Å; I60-I64 VanDerWaalsContact O-CG1 3.28Å; I60-I64 WeakPolarHBondContact O-CG1 3.45Å; I60-I64 PolarHBondContact O-N 2.95Å; L61-I64 PolarHBondContact O-N 3.44Å; H62-I64 PolarHBondContact O-N 3.19Å; I64-Q66 PolarHBondContact O-N 3.39Å; I64-E67 PolarHBondContact O-N 2.92Å; I64-Y68 VanDerWaalsContact O-CB 3.31Å; I64-Y68 WeakPolarHBondContact O-CB 3.29Å; I64-Y68 PolarHBondContact O-N 3.25Å |
| 65 | K | 94.3 | Very high | 89.7 | Confident | 127 Ų | 127 | 110 Ų | 110 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62 | -41.7 | 177.5 | -78.4 | -179.2 | 178.1 | 179.7 | 0 | 112.4 | L61 H62 N63 K69 | L61-K65 WeakPolarHBondContact O-CB 3.34Å; L61-K65 WeakPolarHBondContact O-CG 3.37Å; L61-K65 PolarHBondContact O-N 2.86Å; H62-K65 PolarHBondContact O-N 3.46Å; N63-K65 VanDerWaalsContact C-N 3.34Å; N63-K65 PolarHBondContact O-N 3.18Å; K65-K69 PolarHBondContact O-N 2.94Å |
| 66 | Q | 94.2 | Very high | 89.2 | Confident | 106 Ų | 106 | 112.4 Ų | 112.4 | 50% | 0.495 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.4 | -45.6 | 177.5 | -72.2 | -165.2 | -1 | 0 | 0 | 111.7 | H62 N63 I64 Y68 K69 R70 | H62-Q66 PolarHBondContact CD2-NE2 2.61Å; H62-Q66 PolarHBondContact NE2-NE2 3.19Å; H62-Q66 WeakPolarHBondContact O-CG 3.32Å; H62-Q66 PolarHBondContact O-N 3.28Å; N63-Q66 PolarHBondContact O-N 3.47Å; I64-Q66 PolarHBondContact O-N 3.39Å; Q66-Y68 VanDerWaalsContact C-N 3.34Å; Q66-Y68 PolarHBondContact O-N 2.94Å; Q66-K69 PolarHBondContact O-N 2.99Å; Q66-R70 WeakPolarHBondContact O-CB 3.31Å; Q66-R70 PolarHBondContact O-N 3.38Å |
| 67 | E | 92.1 | Very high | 88.1 | Confident | 90 Ų | 90 | 112.5 Ų | 112.5 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 178.4 | -72.4 | -70.7 | 90.5 | 0 | 0 | 111.5 | N63 I64 R70 L71 | N63-E67 WeakPolarHBondContact O-CB 3.23Å; N63-E67 VanDerWaalsContact O-CG 3.23Å; N63-E67 WeakPolarHBondContact O-CG 3.35Å; N63-E67 PolarHBondContact O-N 2.69Å; I64-E67 PolarHBondContact O-N 2.92Å; E67-R70 WeakPolarHBondContact O-CB 3.44Å; E67-R70 PolarHBondContact O-N 3.3Å; E67-R70 IonicContact OE1-CZ 3.54Å; E67-R70 IonicContact OE1-NE 3.7Å; E67-R70 PolarHBondContact OE1-NE 2.94Å; E67-R70 IonicContact OE1-NH2 2.61Å; E67-R70 PolarHBondContact OE1-NH2 3.25Å; E67-R70 IonicContact OE2-CZ 3.43Å; E67-R70 IonicContact OE2-NE 2.7Å; E67-R70 IonicContact OE2-NH2 3.52Å; E67-R70 PolarHBondContact OE2-NH2 3.18Å; E67-L71 VanDerWaalsContact O-CD1 3.29Å; E67-L71 WeakPolarHBondContact O-CD1 3.43Å; E67-L71 PolarHBondContact O-N 3.32Å |
| 68 | Y | 92.5 | Very high | 86.8 | Confident | 115 Ų | 115 | 114 Ų | 114 | 45% | 0.451 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58 | -49.9 | 173.9 | -178.6 | -95.1 | 0 | 0 | 0 | 111.7 | I64 Q66 R70 L71 Q72 L77 | I64-Y68 VanDerWaalsContact O-CB 3.31Å; I64-Y68 WeakPolarHBondContact O-CB 3.29Å; I64-Y68 PolarHBondContact O-N 3.25Å; Q66-Y68 VanDerWaalsContact C-N 3.34Å; Q66-Y68 PolarHBondContact O-N 2.94Å; Y68-R70 VanDerWaalsContact C-N 3.29Å; Y68-R70 PolarHBondContact O-N 2.83Å; Y68-L71 PolarHBondContact O-N 3.17Å; Y68-Q72 WeakPolarHBondContact O-CB 3.48Å; Y68-Q72 PolarHBondContact O-N 3.27Å; Y68-L77 HydrophobicContact CD2-CD1 3.85Å; Y68-L77 HydrophobicContact CE2-CD1 3.72Å; Y68-L77 HydrophobicContact CE2-CD2 3.86Å; Y68-L77 HydrophobicContact CE2-CG 4.46Å |
| 69 | K | 92.6 | Very high | 85 | Confident | 151 Ų | 151 | 112.2 Ų | 112.2 | 66% | 0.657 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.7 | -40.4 | 175.4 | -74.4 | -176 | 177.9 | -175.9 | 0 | 111.9 | K65 Q66 Q72 K73 | K65-K69 PolarHBondContact O-N 2.94Å; Q66-K69 PolarHBondContact O-N 2.99Å; K69-Q72 PolarHBondContact O-N 3.39Å; K69-K73 PolarHBondContact O-N 3.48Å |
| 70 | R | 92.8 | Very high | 83.3 | Confident | 81 Ų | 81 | 111.8 Ų | 111.8 | 31% | 0.306 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 178.6 | -168.8 | -173.4 | 55.9 | 61.4 | -2.5 | 111.7 | Q66 E67 Y68 R74 | Q66-R70 WeakPolarHBondContact O-CB 3.31Å; Q66-R70 PolarHBondContact O-N 3.38Å; E67-R70 WeakPolarHBondContact O-CB 3.44Å; E67-R70 PolarHBondContact O-N 3.3Å; E67-R70 IonicContact OE1-CZ 3.54Å; E67-R70 IonicContact OE1-NE 3.7Å; E67-R70 PolarHBondContact OE1-NE 2.94Å; E67-R70 IonicContact OE1-NH2 2.61Å; E67-R70 PolarHBondContact OE1-NH2 3.25Å; E67-R70 IonicContact OE2-CZ 3.43Å; E67-R70 IonicContact OE2-NE 2.7Å; E67-R70 IonicContact OE2-NH2 3.52Å; E67-R70 PolarHBondContact OE2-NH2 3.18Å; Y68-R70 VanDerWaalsContact C-N 3.29Å; Y68-R70 PolarHBondContact O-N 2.83Å; R70-R74 VanDerWaalsContact NH1-CZ 3.31Å; R70-R74 VanDerWaalsContact NH1-NH1 3.18Å; R70-R74 WeakPolarHBondContact O-CG 3.35Å; R70-R74 PolarHBondContact O-N 3.2Å |
| 71 | L | 91.4 | Very high | 81.2 | Confident | 55 Ų | 55 | 116.8 Ų | 116.8 | 29% | 0.288 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.5 | -42.1 | 176 | -97.7 | 70.6 | 0 | 0 | 0 | 111.9 | E67 Y68 K73 R74 R75 H76 L77 | E67-L71 VanDerWaalsContact O-CD1 3.29Å; E67-L71 WeakPolarHBondContact O-CD1 3.43Å; E67-L71 PolarHBondContact O-N 3.32Å; Y68-L71 PolarHBondContact O-N 3.17Å; L71-K73 VanDerWaalsContact C-N 3.33Å; L71-K73 PolarHBondContact O-N 2.92Å; L71-R74 CarbonylContact O-C 3.59Å; L71-R74 PolarHBondContact O-N 3.35Å; L71-R74 VanDerWaalsContact O-N 3.08Å; L71-R75 PolarHBondContact O-N 2.99Å; L71-H76 PolarHBondContact O-N 3.18Å; L71-L77 HydrophobicContact CB-CD1 4.1Å; L71-L77 HydrophobicContact CD2-CD1 4.26Å |
| 72 | Q | 84 | Confident | 79 | Confident | 87 Ų | 87 | 118.9 Ų | 118.9 | 41% | 0.407 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60 | -43.4 | 177 | -165.2 | 178.5 | 31.4 | 0 | 0 | 111.2 | Y68 K69 R74 R75 | Y68-Q72 WeakPolarHBondContact O-CB 3.48Å; Y68-Q72 PolarHBondContact O-N 3.27Å; K69-Q72 PolarHBondContact O-N 3.39Å; Q72-R74 VanDerWaalsContact C-N 3.28Å; Q72-R74 PolarHBondContact O-N 3.48Å; Q72-R75 PolarHBondContact O-N 2.97Å; Q72-R75 VanDerWaalsContact O-N 3.11Å |
| 73 | K | 86.8 | Confident | 76.5 | Confident | 188 Ų | 188 | 122.7 Ų | 122.7 | 82% | 0.817 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.7 | -33.5 | 174.4 | -173.8 | 177.9 | 178.5 | -179.5 | 0 | 112.9 | K69 L71 R75 | K69-K73 PolarHBondContact O-N 3.48Å; L71-K73 VanDerWaalsContact C-N 3.33Å; L71-K73 PolarHBondContact O-N 2.92Å; K73-R75 PolarHBondContact O-N 3.28Å |
| 74 | R | 88.4 | Confident | 74 | Confident | 147 Ų | 147 | 124.8 Ų | 124.8 | 56% | 0.555 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 0.1 | 178.5 | -69.4 | 177.6 | -175.9 | -168.4 | 1.8 | 113.2 | R70 L71 Q72 H76 | R70-R74 VanDerWaalsContact NH1-CZ 3.31Å; R70-R74 VanDerWaalsContact NH1-NH1 3.18Å; R70-R74 WeakPolarHBondContact O-CG 3.35Å; R70-R74 PolarHBondContact O-N 3.2Å; L71-R74 CarbonylContact O-C 3.59Å; L71-R74 PolarHBondContact O-N 3.35Å; L71-R74 VanDerWaalsContact O-N 3.08Å; Q72-R74 VanDerWaalsContact C-N 3.28Å; Q72-R74 PolarHBondContact O-N 3.48Å; R74-H76 PolarHBondContact O-CD2 2.97Å; R74-H76 PolarHBondContact O-N 3.3Å |
| 75 | R | 78.3 | Confident | 71.3 | Confident | 221 Ų | 221 | 127.1 Ų | 127.1 | 83% | 0.834 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52 | 29 | -171.1 | -57.5 | -149.8 | -57.9 | -104.3 | 2.9 | 113.6 | L71 Q72 K73 L77 | L71-R75 PolarHBondContact O-N 2.99Å; Q72-R75 PolarHBondContact O-N 2.97Å; Q72-R75 VanDerWaalsContact O-N 3.11Å; K73-R75 PolarHBondContact O-N 3.28Å; R75-L77 VanDerWaalsContact C-N 3.32Å |
| 76 | H | 67.4 | Low | 68.7 | Low | 141 Ų | 141 | 126.8 Ų | 126.8 | 65% | 0.653 | 62% | 0.62 | S | S | * | * | trans | -90.1 | -0.4 | 176 | -70.3 | -176.1 | 0 | 0 | 0 | 112.7 | L71 R74 | L71-H76 PolarHBondContact O-N 3.18Å; R74-H76 PolarHBondContact O-CD2 2.97Å; R74-H76 PolarHBondContact O-N 3.3Å | ||
| 77 | L | 62.1 | Low | 65.6 | Low | 64 Ų | 64 | 127.4 Ų | 127.4 | 34% | 0.335 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -113.6 | 112.7 | 173.3 | -132.9 | 132.7 | 0 | 0 | 0 | 105.9 | Y68 L71 R75 S79 | Y68-L77 HydrophobicContact CD2-CD1 3.85Å; Y68-L77 HydrophobicContact CE2-CD1 3.72Å; Y68-L77 HydrophobicContact CE2-CD2 3.86Å; Y68-L77 HydrophobicContact CE2-CG 4.46Å; L71-L77 HydrophobicContact CB-CD1 4.1Å; L71-L77 HydrophobicContact CD2-CD1 4.26Å; R75-L77 VanDerWaalsContact C-N 3.32Å; L77-S79 PolarHBondContact O-N 3.43Å; L77-S79 VanDerWaalsContact O-N 3.15Å |
| 78 | D | 56.5 | Low | 62.7 | Low | 142 Ų | 142 | 128.8 Ų | 128.8 | 76% | 0.759 | 65% | 0.653 | S | S | * | * | trans | -57.3 | 121.5 | 176.2 | -76.5 | -42.8 | 0 | 0 | 0 | 108.5 | A80 | D78-A80 PolarHBondContact O-N 2.7Š| ||
| 79 | S | 52.4 | Low | 60.4 | Low | 95 Ų | 95 | 128.7 Ų | 128.7 | 66% | 0.664 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 31.9 | 179.3 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | L77 | L77-S79 PolarHBondContact O-N 3.43Å; L77-S79 VanDerWaalsContact O-N 3.15Å |
| 80 | A | 53.6 | Low | 58.1 | Low | 83 Ų | 83 | 129.3 Ų | 129.3 | 69% | 0.686 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -12.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D78 | D78-A80 PolarHBondContact O-N 2.7Š|
| 81 | F | 49.6 | Very low | 55.2 | Low | 184 Ų | 184 | 133.4 Ų | 133.4 | 81% | 0.807 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -3.3 | -176.3 | -148 | -95.3 | 0 | 0 | 0 | 114.8 | ||
| 82 | Q | 47.5 | Very low | 53.1 | Low | 136 Ų | 136 | 138.1 Ų | 138.1 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 4.3 | -178.5 | -72.7 | -171.2 | 104.1 | 0 | 0 | 114.3 | ||
| 83 | Q | 42.8 | Very low | 50.8 | Low | 184 Ų | 184 | 142.7 Ų | 142.7 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -103.5 | 15.5 | -175.9 | -147.6 | 173 | 56.9 | 0 | 0 | 114.8 | ||
| 84 | T | 39.8 | Very low | 48.4 | Very low | 120 Ų | 120 | 141 Ų | 141 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | -124.9 | 52.2 | 174.1 | 63.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 85 | D | 38.5 | Very low | 46 | Very low | 153 Ų | 153 | 141 Ų | 141 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -98.4 | 85.1 | 157.8 | -80.9 | -38.6 | 0 | 0 | 0 | 108.8 | ||||
| 86 | S | 39.1 | Very low | 44.2 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | trans | -169.3 | 117.2 | 150 | -98 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 87 | C | 29.4 | Very low | 42.7 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | 92.3 | 91 | 153 | -137.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 88 | C | 31.7 | Very low | 41.3 | Very low | 119 Ų | 119 | 138 Ų | 138 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | 80.8 | 157 | 122.4 | -73.2 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 89 | P | 43.9 | Very low | 40.3 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | trans | -109 | 175.7 | -133 | 43.1 | -38.2 | 0 | 0 | 0 | 115 | ||||
| 90 | L | 44.7 | Very low | 40.1 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | 10.6 | 115.2 | 154.9 | -115.1 | 76.2 | 0 | 0 | 0 | 116.5 | ||||
| 91 | D | 31.7 | Very low | 39.5 | Very low | 167 Ų | 167 | 141.5 Ų | 141.5 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -159.7 | 143.8 | 130.7 | -110.1 | -33.2 | 0 | 0 | 0 | 113.7 | ||||
| 92 | L | 46.1 | Very low | 39.6 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | trans | -103.1 | 118.3 | -174.8 | -174.3 | 82.6 | 0 | 0 | 0 | 107.9 | ||||
| 93 | Q | 35.8 | Very low | 39 | Very low | 183 Ų | 183 | 136.1 Ų | 136.1 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | 172.6 | 104.5 | 160 | -96.3 | 149.8 | 74.5 | 0 | 0 | 108.6 | ||||
| 94 | N | 37.8 | Very low | 39 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | 53 | 127.4 | 83.5 | -157.2 | 11.6 | 0 | 0 | 0 | 115.6 | |||||
| 95 | I | 38 | Very low | 38.9 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 75% | 0.754 | 82% | 0.821 | S | S | * | * | trans | 107.1 | 114.6 | 163.7 | -50.5 | -165.9 | 0 | 0 | 0 | 118.4 | ||||
| 96 | Q | 40.5 | Very low | 39.3 | Very low | 183 Ų | 183 | 130.6 Ų | 130.6 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | -25.2 | 143.1 | 159.9 | -71.3 | 167 | -4 | 0 | 0 | 118 | ||||
| 97 | A | 35.5 | Very low | 39.2 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | 161.3 | 132.6 | 100.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 98 | G | 32.8 | Very low | 40.3 | Very low | 79 Ų | 79 | 131.7 Ų | 131.7 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | trans | 86.9 | 105.1 | 135.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 99 | S | 34.8 | Very low | 41 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | 142.3 | 130.8 | 120.5 | -165.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 100 | P | 48 | Very low | 40.8 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | trans | -97.3 | 140.6 | 173.8 | 35.9 | -26.8 | 0 | 0 | 0 | 111.6 | ||||
| 101 | L | 41.5 | Very low | 41 | Very low | 164 Ų | 164 | 128.8 Ų | 128.8 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | trans | -122.9 | 138.5 | 159.7 | -113.5 | 98.4 | 0 | 0 | 0 | 110.1 | ||||
| 102 | P | 52.3 | Low | 41.9 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -93.8 | 136.9 | 175 | 35.6 | -28.1 | 0 | 0 | 0 | 110.6 | ||||
| 103 | G | 34.9 | Very low | 42.3 | Very low | 80 Ų | 80 | 130 Ų | 130 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -169.5 | 112.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 104 | A | 42.8 | Very low | 43 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 88% | 0.876 | 81% | 0.81 | S | S | * | * | trans | -68.1 | 146.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 105 | S | 36 | Very low | 43.8 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -167.2 | 132.7 | 133.2 | 55.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 106 | S | 47.7 | Very low | 44.4 | Very low | 118 Ų | 118 | 133 Ų | 133 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -37.5 | 135.6 | 171.3 | -50.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 107 | D | 36.8 | Very low | 45.5 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | -146.9 | 125.5 | 134.6 | -131.8 | -13.2 | 0 | 0 | 0 | 110.8 | S109 | D107-S109 PolarHBondContact O-N 2.87Š| ||
| 108 | A | 52.7 | Low | 47.5 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -71.3 | 116.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 109 | S | 46.8 | Very low | 49.9 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -123.9 | 108.9 | 162 | 59.7 | 0 | 0 | 0 | 0 | 110.2 | D107 | D107-S109 PolarHBondContact O-N 2.87Š| ||
| 110 | S | 40.2 | Very low | 52.7 | Low | 93 Ų | 93 | 130.9 Ų | 130.9 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | trans | -46 | 133.5 | 170 | 43.9 | 0 | 0 | 0 | 0 | 113.6 | T112 | S110-T112 VanDerWaalsContact C-N 3.27Å; S110-T112 PolarHBondContact O-N 3.21Å | ||
| 111 | P | 47.5 | Very low | 54.8 | Low | 134 Ų | 134 | 132.7 Ų | 132.7 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | trans | -86.4 | 67 | 171.5 | 36 | -31.5 | 0 | 0 | 0 | 109.4 | ||||
| 112 | T | 50.8 | Low | 57.3 | Low | 101 Ų | 101 | 134.6 Ų | 134.6 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | trans | -134.4 | 58.8 | -178.7 | 58.8 | 0 | 0 | 0 | 0 | 112.3 | S110 | S110-T112 VanDerWaalsContact C-N 3.27Å; S110-T112 PolarHBondContact O-N 3.21Å | ||
| 113 | R | 54.3 | Low | 59.4 | Low | 244 Ų | 244 | 132.9 Ų | 132.9 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -135 | 76.7 | 151.8 | -64.3 | -72.7 | -172 | 155.7 | 3.5 | 107.5 | E115 | R113-E115 PolarHBondContact O-N 3.37Š|
| 114 | K | 52 | Low | 62.3 | Low | 195 Ų | 195 | 132 Ų | 132 | 85% | 0.848 | 73% | 0.728 | S | S | * | * | trans | 23.8 | 89 | 147.4 | -63 | 177.6 | 179.1 | -178.5 | 0 | 114.7 | Q116 | K114-Q116 VanDerWaalsContact C-N 3.27Å; K114-Q116 PolarHBondContact O-N 3.02Å | ||
| 115 | E | 53.1 | Low | 64.8 | Low | 201 Ų | 201 | 128.8 Ų | 128.8 | 94% | 0.939 | 71% | 0.705 | S | S | * | * | 14.9 | 70.5 | 123.1 | -163.3 | 172.3 | -174.8 | 0 | 0 | 115.2 | R113 | R113-E115 PolarHBondContact O-N 3.37Š| |||
| 116 | Q | 52.3 | Low | 67.7 | Low | 149 Ų | 149 | 127.5 Ų | 127.5 | 70% | 0.696 | 69% | 0.687 | S | S | * | * | trans | -124.2 | 117.5 | 159.7 | -150.7 | 167.4 | 32.6 | 0 | 0 | 104 | K114 L118 | K114-Q116 VanDerWaalsContact C-N 3.27Å; K114-Q116 PolarHBondContact O-N 3.02Å; Q116-L118 PolarHBondContact O-N 3.43Å | ||
| 117 | P | 63.6 | Low | 70.1 | Confident | 105 Ų | 105 | 125 Ų | 125 | 68% | 0.682 | 66% | 0.664 | S | S | * | * | trans | -66.9 | 89.2 | 172.2 | 27.1 | -30.9 | 0 | 0 | 0 | 106.9 | F119 | P117-F119 PolarHBondContact O-N 2.86Å; P117-F119 VanDerWaalsContact O-N 3.14Å | ||
| 118 | L | 76.9 | Confident | 72.9 | Confident | 145 Ų | 145 | 120.2 Ų | 120.2 | 76% | 0.759 | 64% | 0.643 | S | S | * | * | trans | -70.6 | 108.1 | 171.1 | -71.3 | 168.1 | 0 | 0 | 0 | 106 | Q116 S120 | Q116-L118 PolarHBondContact O-N 3.43Å; L118-S120 PolarHBondContact O-N 3.16Å | ||
| 119 | F | 83.1 | Confident | 75.1 | Confident | 123 Ų | 123 | 122.1 Ų | 122.1 | 54% | 0.539 | 64% | 0.635 | S | S | . | * | trans | -61.7 | 127 | 174.5 | -63.7 | -75.2 | 0 | 0 | 0 | 109.1 | P117 Q123 V124 I127 | P117-F119 PolarHBondContact O-N 2.86Å; P117-F119 VanDerWaalsContact O-N 3.14Å; F119-Q123 HydrophobicContact CB-CB 4.07Å; F119-Q123 HydrophobicContact CD1-CB 4.07Å; F119-V124 HydrophobicContact CB-CG2 3.65Å; F119-I127 HydrophobicContact CD1-CD1 4.09Å; F119-I127 HydrophobicContact CE1-CD1 4.15Å; F119-I127 HydrophobicContact CG-CD1 4.37Å; F119-I127 HydrophobicContact CZ-CD1 4.49Å | ||
| 120 | S | 92.8 | Very high | 77.5 | Confident | 58 Ų | 58 | 124.6 Ų | 124.6 | 41% | 0.406 | 63% | 0.627 | S | S | . | * | trans | -57.6 | 152.3 | 165 | 64.3 | 0 | 0 | 0 | 0 | 110.1 | L118 R122 Q123 V124 | L118-S120 PolarHBondContact O-N 3.16Å; S120-R122 PolarHBondContact O-N 3.47Å; S120-R122 VanDerWaalsContact O-N 3.09Å; S120-Q123 WeakPolarHBondContact O-CA 3.41Å; S120-Q123 WeakPolarHBondContact O-CB 3.29Å; S120-Q123 PolarHBondContact O-N 3.07Å; S120-Q123 VanDerWaalsContact OG-CD 3.31Å; S120-Q123 VanDerWaalsContact OG-CG 3.29Å; S120-Q123 WeakPolarHBondContact OG-CG 3.44Å; S120-Q123 PolarHBondContact OG-N 3.46Å; S120-Q123 PolarHBondContact OG-OE1 2.99Å; S120-V124 PolarHBondContact O-N 2.87Å | ||
| 121 | L | 93.1 | Very high | 80.3 | Confident | 155 Ų | 155 | 124.3 Ų | 124.3 | 81% | 0.812 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -52.1 | -36.3 | 176.7 | -177.7 | 61.9 | 0 | 0 | 0 | 112.2 | V124 G125 | L121-V124 PolarHBondContact O-N 3.38Å; L121-G125 PolarHBondContact O-N 2.96Å |
| 122 | R | 93.6 | Very high | 82.7 | Confident | 205 Ų | 205 | 124.1 Ų | 124.1 | 77% | 0.774 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.8 | -43.8 | 174.8 | -174.4 | -179.7 | 174.2 | -140.7 | -1.4 | 112.3 | S120 G125 M126 | S120-R122 PolarHBondContact O-N 3.47Å; S120-R122 VanDerWaalsContact O-N 3.09Å; R122-G125 PolarHBondContact O-N 3.38Å; R122-M126 WeakPolarHBondContact O-CG 3.27Å; R122-M126 PolarHBondContact O-N 3.21Å; R122-M126 VanDerWaalsContact O-N 3.1Å |
| 123 | Q | 95.9 | Very high | 85 | Confident | 91 Ų | 91 | 125.4 Ų | 125.4 | 43% | 0.425 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65 | -40.8 | 176.6 | -74.1 | 162.7 | -39.2 | 0 | 0 | 111.4 | F119 S120 G125 M126 I127 | F119-Q123 HydrophobicContact CB-CB 4.07Å; F119-Q123 HydrophobicContact CD1-CB 4.07Å; S120-Q123 WeakPolarHBondContact O-CA 3.41Å; S120-Q123 WeakPolarHBondContact O-CB 3.29Å; S120-Q123 PolarHBondContact O-N 3.07Å; S120-Q123 VanDerWaalsContact OG-CD 3.31Å; S120-Q123 VanDerWaalsContact OG-CG 3.29Å; S120-Q123 WeakPolarHBondContact OG-CG 3.44Å; S120-Q123 PolarHBondContact OG-N 3.46Å; S120-Q123 PolarHBondContact OG-OE1 2.99Å; Q123-G125 VanDerWaalsContact C-N 3.34Å; Q123-G125 PolarHBondContact O-N 3.44Å; Q123-M126 PolarHBondContact O-N 2.98Å; Q123-I127 WeakPolarHBondContact O-CD1 3.47Å; Q123-I127 VanDerWaalsContact O-CG1 3.26Å; Q123-I127 WeakPolarHBondContact O-CG1 3.5Å; Q123-I127 PolarHBondContact O-N 3.47Å |
| 124 | V | 96.4 | Very high | 87.1 | Confident | 61 Ų | 61 | 119.1 Ų | 119.1 | 37% | 0.37 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.2 | -42 | 175.6 | -179.8 | 0 | 0 | 0 | 0 | 111 | F119 S120 L121 M126 I127 C128 | F119-V124 HydrophobicContact CB-CG2 3.65Å; S120-V124 PolarHBondContact O-N 2.87Å; L121-V124 PolarHBondContact O-N 3.38Å; V124-M126 PolarHBondContact O-N 2.93Å; V124-I127 PolarHBondContact O-N 3.49Å; V124-C128 PolarHBondContact O-N 3.49Å; V124-C128 PolarHBondContact O-SG 2.95Å |
| 125 | G | 95.7 | Very high | 89.3 | Confident | 39 Ų | 39 | 116 Ų | 116 | 40% | 0.402 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -55.7 | -48.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L121 R122 Q123 I127 C128 E129 | L121-G125 PolarHBondContact O-N 2.96Å; R122-G125 PolarHBondContact O-N 3.38Å; Q123-G125 VanDerWaalsContact C-N 3.34Å; Q123-G125 PolarHBondContact O-N 3.44Å; G125-I127 VanDerWaalsContact C-N 3.32Å; G125-I127 PolarHBondContact O-N 2.77Å; G125-C128 PolarHBondContact O-N 2.74Å; G125-E129 WeakPolarHBondContact O-CB 3.26Å; G125-E129 PolarHBondContact O-N 2.82Å |
| 126 | M | 97.3 | Very high | 91.4 | Very high | 90 Ų | 90 | 111.7 Ų | 111.7 | 44% | 0.443 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.5 | -38.1 | 176.8 | -68.9 | 177.1 | 61.8 | 0 | 0 | 113 | R122 Q123 V124 R130 | R122-M126 WeakPolarHBondContact O-CG 3.27Å; R122-M126 PolarHBondContact O-N 3.21Å; R122-M126 VanDerWaalsContact O-N 3.1Å; Q123-M126 PolarHBondContact O-N 2.98Å; V124-M126 PolarHBondContact O-N 2.93Å; M126-R130 WeakPolarHBondContact O-CB 3.42Å; M126-R130 PolarHBondContact O-N 3.47Å |
| 127 | I | 96.8 | Very high | 93.6 | Very high | 64 Ų | 64 | 107.1 Ų | 107.1 | 33% | 0.328 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.4 | -48.5 | 178.5 | -67.9 | 162.4 | 0 | 0 | 0 | 110 | F119 Q123 V124 G125 E129 R130 L131 | F119-I127 HydrophobicContact CD1-CD1 4.09Å; F119-I127 HydrophobicContact CE1-CD1 4.15Å; F119-I127 HydrophobicContact CG-CD1 4.37Å; F119-I127 HydrophobicContact CZ-CD1 4.49Å; Q123-I127 WeakPolarHBondContact O-CD1 3.47Å; Q123-I127 VanDerWaalsContact O-CG1 3.26Å; Q123-I127 WeakPolarHBondContact O-CG1 3.5Å; Q123-I127 PolarHBondContact O-N 3.47Å; V124-I127 PolarHBondContact O-N 3.49Å; G125-I127 VanDerWaalsContact C-N 3.32Å; G125-I127 PolarHBondContact O-N 2.77Å; I127-E129 PolarHBondContact O-N 2.91Å; I127-R130 PolarHBondContact O-N 3.35Å; I127-L131 HydrophobicContact CG2-CD1 3.85Å; I127-L131 HydrophobicContact CG2-CG 4.39Å; I127-L131 WeakPolarHBondContact O-CB 3.28Å; I127-L131 VanDerWaalsContact O-CG 3.29Å; I127-L131 WeakPolarHBondContact O-CG 3.41Å; I127-L131 PolarHBondContact O-N 3.48Å |
| 128 | C | 97.2 | Very high | 95.3 | Very high | 63 Ų | 63 | 107.7 Ų | 107.7 | 43% | 0.426 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 177.9 | -69.2 | 0 | 0 | 0 | 0 | 111.8 | V124 G125 R130 L131 L132 | V124-C128 PolarHBondContact O-N 3.49Å; V124-C128 PolarHBondContact O-SG 2.95Å; G125-C128 PolarHBondContact O-N 2.74Å; C128-R130 PolarHBondContact O-N 3.41Å; C128-L131 PolarHBondContact O-N 3.49Å; C128-L132 WeakPolarHBondContact O-CB 3.48Å; C128-L132 VanDerWaalsContact O-CG 3.26Å; C128-L132 WeakPolarHBondContact O-CG 3.43Å; C128-L132 PolarHBondContact O-N 3Å |
| 129 | E | 97.2 | Very high | 96.3 | Very high | 139 Ų | 139 | 106.8 Ų | 106.8 | 65% | 0.65 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.3 | -48.4 | 176.3 | -176 | -175.7 | 173 | 0 | 0 | 111.4 | G125 I127 L131 L132 K133 | G125-E129 WeakPolarHBondContact O-CB 3.26Å; G125-E129 PolarHBondContact O-N 2.82Å; I127-E129 PolarHBondContact O-N 2.91Å; E129-L131 PolarHBondContact O-N 2.91Å; E129-L132 PolarHBondContact O-N 2.89Å; E129-K133 WeakPolarHBondContact O-CB 3.12Å; E129-K133 PolarHBondContact O-N 3.1Å |
| 130 | R | 98.1 | Very high | 97.1 | Very high | 162 Ų | 162 | 106.5 Ų | 106.5 | 61% | 0.611 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.2 | -44.5 | 178.1 | -173.7 | -177.5 | -65.5 | 145.6 | -1.1 | 112.1 | M126 I127 C128 L132 K133 E134 | M126-R130 WeakPolarHBondContact O-CB 3.42Å; M126-R130 PolarHBondContact O-N 3.47Å; I127-R130 PolarHBondContact O-N 3.35Å; C128-R130 PolarHBondContact O-N 3.41Å; R130-L132 VanDerWaalsContact C-N 3.35Å; R130-L132 PolarHBondContact O-N 3.49Å; R130-K133 PolarHBondContact O-N 3.36Å; R130-E134 VanDerWaalsContact O-CB 3.32Å; R130-E134 WeakPolarHBondContact O-CB 3.36Å; R130-E134 PolarHBondContact O-N 3.01Å |
| 131 | L | 98.3 | Very high | 97.4 | Very high | 87 Ų | 87 | 110 Ų | 110 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 179.6 | -74.5 | 172.2 | 0 | 0 | 0 | 112.1 | I127 C128 E129 K135 | I127-L131 HydrophobicContact CG2-CD1 3.85Å; I127-L131 HydrophobicContact CG2-CG 4.39Å; I127-L131 WeakPolarHBondContact O-CB 3.28Å; I127-L131 VanDerWaalsContact O-CG 3.29Å; I127-L131 WeakPolarHBondContact O-CG 3.41Å; I127-L131 PolarHBondContact O-N 3.48Å; C128-L131 PolarHBondContact O-N 3.49Å; E129-L131 PolarHBondContact O-N 2.91Å; L131-K135 VanDerWaalsContact O-CG 3.27Å; L131-K135 WeakPolarHBondContact O-CG 3.5Å; L131-K135 PolarHBondContact O-N 3.35Å |
| 132 | L | 98.3 | Very high | 97.6 | Very high | 129 Ų | 129 | 107.1 Ų | 107.1 | 68% | 0.675 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.4 | -45.6 | 176.2 | -71.8 | 171.6 | 0 | 0 | 0 | 110.7 | C128 E129 R130 K135 E136 | C128-L132 WeakPolarHBondContact O-CB 3.48Å; C128-L132 VanDerWaalsContact O-CG 3.26Å; C128-L132 WeakPolarHBondContact O-CG 3.43Å; C128-L132 PolarHBondContact O-N 3Å; E129-L132 PolarHBondContact O-N 2.89Å; R130-L132 VanDerWaalsContact C-N 3.35Å; R130-L132 PolarHBondContact O-N 3.49Å; L132-K135 PolarHBondContact O-N 2.93Å; L132-E136 PolarHBondContact O-N 3.28Å |
| 133 | K | 98.4 | Very high | 97.9 | Very high | 128 Ų | 128 | 104.4 Ų | 104.4 | 56% | 0.557 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.3 | -46.3 | 177.1 | -175.2 | 174.4 | -179.2 | -179 | 0 | 112 | E129 R130 K135 E136 D137 | E129-K133 WeakPolarHBondContact O-CB 3.12Å; E129-K133 PolarHBondContact O-N 3.1Å; R130-K133 PolarHBondContact O-N 3.36Å; K133-K135 VanDerWaalsContact C-N 3.28Å; K133-K135 PolarHBondContact O-N 2.69Å; K133-E136 PolarHBondContact O-N 2.74Å; K133-E136 VanDerWaalsContact O-N 3.17Å; K133-D137 WeakPolarHBondContact CG-OD2 3.28Å; K133-D137 WeakPolarHBondContact O-CB 3.3Å; K133-D137 VanDerWaalsContact O-CG 3.3Å; K133-D137 PolarHBondContact O-N 3.12Å |
| 134 | E | 98.3 | Very high | 98 | Very high | 113 Ų | 113 | 103.9 Ų | 103.9 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.4 | -39.7 | 177.1 | -177.4 | -175.7 | -178.2 | 0 | 0 | 112.1 | R130 K138 | R130-E134 VanDerWaalsContact O-CB 3.32Å; R130-E134 WeakPolarHBondContact O-CB 3.36Å; R130-E134 PolarHBondContact O-N 3.01Å; E134-K138 VanDerWaalsContact O-CB 3.29Å; E134-K138 WeakPolarHBondContact O-CB 3.25Å; E134-K138 PolarHBondContact O-N 2.78Å |
| 135 | K | 98.4 | Very high | 98.1 | Very high | 128 Ų | 128 | 106.9 Ų | 106.9 | 56% | 0.557 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.3 | -38.9 | 177 | -67.1 | -67.1 | 169.1 | 66 | 0 | 112.5 | L131 L132 K133 I139 | L131-K135 VanDerWaalsContact O-CG 3.27Å; L131-K135 WeakPolarHBondContact O-CG 3.5Å; L131-K135 PolarHBondContact O-N 3.35Å; L132-K135 PolarHBondContact O-N 2.93Å; K133-K135 VanDerWaalsContact C-N 3.28Å; K133-K135 PolarHBondContact O-N 2.69Å; K135-I139 VanDerWaalsContact O-CG1 3.25Å; K135-I139 WeakPolarHBondContact O-CG1 3.35Å; K135-I139 PolarHBondContact O-N 2.91Å; K135-I139 VanDerWaalsContact O-N 3.07Å |
| 136 | E | 98.4 | Very high | 98.2 | Very high | 111 Ų | 111 | 109.7 Ų | 109.7 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.5 | -47.9 | 174.4 | -173.8 | -174.3 | 116.7 | 0 | 0 | 111.2 | L132 K133 K138 I139 R140 | L132-E136 PolarHBondContact O-N 3.28Å; K133-E136 PolarHBondContact O-N 2.74Å; K133-E136 VanDerWaalsContact O-N 3.17Å; E136-K138 VanDerWaalsContact C-N 3.35Å; E136-K138 PolarHBondContact O-N 3.02Å; E136-I139 PolarHBondContact O-N 3.1Å; E136-R140 PolarHBondContact O-N 3.13Å; E136-R140 IonicContact OE1-CZ 2.72Å; E136-R140 IonicContact OE1-NH1 3.19Å; E136-R140 PolarHBondContact OE1-NH1 3.29Å; E136-R140 IonicContact OE1-NH2 3.4Å; E136-R140 PolarHBondContact OE1-NH2 2.92Å |
| 137 | D | 98.5 | Very high | 98.3 | Very high | 53 Ų | 53 | 108.9 Ų | 108.9 | 28% | 0.283 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 179.2 | -71.1 | -19.7 | 0 | 0 | 0 | 110.4 | K133 I139 R140 E141 | K133-D137 WeakPolarHBondContact CG-OD2 3.28Å; K133-D137 WeakPolarHBondContact O-CB 3.3Å; K133-D137 VanDerWaalsContact O-CG 3.3Å; K133-D137 PolarHBondContact O-N 3.12Å; D137-I139 PolarHBondContact O-N 3.3Å; D137-R140 WeakPolarHBondContact O-CB 3.39Å; D137-R140 PolarHBondContact O-N 3.32Å; D137-R140 VanDerWaalsContact O-N 3.16Å; D137-R140 IonicContact OD1-NH1 3.34Å; D137-R140 PolarHBondContact OD1-NH1 2.95Å; D137-E141 WeakPolarHBondContact O-CG 3.48Å; D137-E141 PolarHBondContact O-N 3.46Å |
| 138 | K | 98.6 | Very high | 98.4 | Very high | 118 Ų | 118 | 110.3 Ų | 110.3 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.8 | -44.2 | 175.1 | -175.1 | 172.2 | -176.6 | 173.3 | 0 | 112.8 | E134 E136 R140 E141 E142 | E134-K138 VanDerWaalsContact O-CB 3.29Å; E134-K138 WeakPolarHBondContact O-CB 3.25Å; E134-K138 PolarHBondContact O-N 2.78Å; E136-K138 VanDerWaalsContact C-N 3.35Å; E136-K138 PolarHBondContact O-N 3.02Å; K138-R140 VanDerWaalsContact C-N 3.3Å; K138-R140 PolarHBondContact O-N 2.87Å; K138-E141 PolarHBondContact O-N 3.31Å; K138-E142 HydrophobicContact CG-CG 4.35Å; K138-E142 WeakPolarHBondContact O-CG 3.45Å; K138-E142 PolarHBondContact O-N 2.88Å |
| 139 | I | 98.8 | Very high | 98.5 | Very high | 125 Ų | 125 | 110.4 Ų | 110.4 | 64% | 0.641 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.4 | -40.5 | 178.4 | -71.9 | 167.8 | 0 | 0 | 0 | 110.8 | K135 E136 D137 Y143 | K135-I139 VanDerWaalsContact O-CG1 3.25Å; K135-I139 WeakPolarHBondContact O-CG1 3.35Å; K135-I139 PolarHBondContact O-N 2.91Å; K135-I139 VanDerWaalsContact O-N 3.07Å; E136-I139 PolarHBondContact O-N 3.1Å; D137-I139 PolarHBondContact O-N 3.3Å; I139-Y143 PolarHBondContact O-N 3.48Å; I139-Y143 VanDerWaalsContact O-N 3.1Å |
| 140 | R | 98.7 | Very high | 98.5 | Very high | 117 Ų | 117 | 108.7 Ų | 108.7 | 44% | 0.442 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.1 | -45.8 | 178 | -172.5 | -178.2 | -68.8 | 111.7 | -1.2 | 111.3 | E136 D137 K138 Y143 D144 | E136-R140 PolarHBondContact O-N 3.13Å; E136-R140 IonicContact OE1-CZ 2.72Å; E136-R140 IonicContact OE1-NH1 3.19Å; E136-R140 PolarHBondContact OE1-NH1 3.29Å; E136-R140 IonicContact OE1-NH2 3.4Å; E136-R140 PolarHBondContact OE1-NH2 2.92Å; D137-R140 WeakPolarHBondContact O-CB 3.39Å; D137-R140 PolarHBondContact O-N 3.32Å; D137-R140 VanDerWaalsContact O-N 3.16Å; D137-R140 IonicContact OD1-NH1 3.34Å; D137-R140 PolarHBondContact OD1-NH1 2.95Å; K138-R140 VanDerWaalsContact C-N 3.3Å; K138-R140 PolarHBondContact O-N 2.87Å; R140-Y143 WeakPolarHBondContact O-CB 3.21Å; R140-Y143 PolarHBondContact O-N 2.72Å; R140-D144 PolarHBondContact O-N 2.74Å |
| 141 | E | 98.7 | Very high | 98.6 | Very high | 133 Ų | 133 | 105.6 Ų | 105.6 | 62% | 0.621 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.4 | -47.8 | 176.9 | -74.2 | 173.9 | -177.5 | 0 | 0 | 112 | D137 K138 Y143 D144 E145 | D137-E141 WeakPolarHBondContact O-CG 3.48Å; D137-E141 PolarHBondContact O-N 3.46Å; K138-E141 PolarHBondContact O-N 3.31Å; E141-Y143 VanDerWaalsContact C-N 3.29Å; E141-Y143 PolarHBondContact O-N 2.95Å; E141-D144 PolarHBondContact O-N 3.45Å; E141-E145 WeakPolarHBondContact O-CB 3.33Å; E141-E145 PolarHBondContact O-N 3.26Å |
| 142 | E | 98.6 | Very high | 98.6 | Very high | 93 Ų | 93 | 103.8 Ų | 103.8 | 44% | 0.435 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 178.2 | -65.7 | -88.2 | 174.1 | 0 | 0 | 111.7 | K138 I146 | K138-E142 HydrophobicContact CG-CG 4.35Å; K138-E142 WeakPolarHBondContact O-CG 3.45Å; K138-E142 PolarHBondContact O-N 2.88Å; E142-I146 WeakPolarHBondContact O-CB 3.5Å; E142-I146 WeakPolarHBondContact O-CD1 3.47Å; E142-I146 WeakPolarHBondContact O-CG1 3.45Å; E142-I146 PolarHBondContact O-N 2.87Å |
| 143 | Y | 98.8 | Very high | 98.6 | Very high | 149 Ų | 149 | 102.1 Ų | 102.1 | 58% | 0.584 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.2 | -47.9 | 175.3 | 175.9 | -93.7 | 0 | 0 | 0 | 111.7 | I139 R140 E141 E145 I146 L147 | I139-Y143 PolarHBondContact O-N 3.48Å; I139-Y143 VanDerWaalsContact O-N 3.1Å; R140-Y143 WeakPolarHBondContact O-CB 3.21Å; R140-Y143 PolarHBondContact O-N 2.72Å; E141-Y143 VanDerWaalsContact C-N 3.29Å; E141-Y143 PolarHBondContact O-N 2.95Å; Y143-E145 VanDerWaalsContact C-N 3.33Å; Y143-E145 PolarHBondContact O-N 2.89Å; Y143-I146 PolarHBondContact O-N 3.43Å; Y143-L147 HydrophobicContact CE1-CD2 4.09Å; Y143-L147 WeakPolarHBondContact O-CB 3.45Å; Y143-L147 PolarHBondContact O-N 3.4Å |
| 144 | D | 98.7 | Very high | 98.6 | Very high | 80 Ų | 80 | 102.4 Ų | 102.4 | 43% | 0.428 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | -179.5 | -72.5 | -18.6 | 0 | 0 | 0 | 111.6 | R140 E141 L147 T148 | R140-D144 PolarHBondContact O-N 2.74Å; E141-D144 PolarHBondContact O-N 3.45Å; D144-L147 PolarHBondContact O-N 2.98Å; D144-T148 VanDerWaalsContact O-CB 3.28Å; D144-T148 WeakPolarHBondContact O-CB 3.35Å; D144-T148 PolarHBondContact O-N 3.07Å; D144-T148 PolarHBondContact O-OG1 3.48Å |
| 145 | E | 98.7 | Very high | 98.6 | Very high | 124 Ų | 124 | 104.6 Ų | 104.6 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.3 | -49.4 | 174.3 | -176.5 | 178.7 | 178.9 | 0 | 0 | 111.4 | E141 Y143 L147 T148 T149 | E141-E145 WeakPolarHBondContact O-CB 3.33Å; E141-E145 PolarHBondContact O-N 3.26Å; Y143-E145 VanDerWaalsContact C-N 3.33Å; Y143-E145 PolarHBondContact O-N 2.89Å; E145-L147 PolarHBondContact O-N 3.22Å; E145-T148 PolarHBondContact O-N 3.47Å; E145-T149 WeakPolarHBondContact O-CB 3.1Å; E145-T149 PolarHBondContact O-N 3.15Å; E145-T149 PolarHBondContact O-OG1 3.42Å |
| 146 | I | 98.7 | Very high | 98.6 | Very high | 98 Ų | 98 | 102.4 Ų | 102.4 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 178 | -69.8 | 166.8 | 0 | 0 | 0 | 110.2 | E142 Y143 T148 T149 K150 | E142-I146 WeakPolarHBondContact O-CB 3.5Å; E142-I146 WeakPolarHBondContact O-CD1 3.47Å; E142-I146 WeakPolarHBondContact O-CG1 3.45Å; E142-I146 PolarHBondContact O-N 2.87Å; Y143-I146 PolarHBondContact O-N 3.43Å; I146-T148 PolarHBondContact O-N 2.93Å; I146-T149 PolarHBondContact O-N 3.02Å; I146-K150 HydrophobicContact CG2-CG 4.2Å; I146-K150 WeakPolarHBondContact O-CB 3.42Å; I146-K150 WeakPolarHBondContact O-CG 3.25Å; I146-K150 PolarHBondContact O-N 2.96Å |
| 147 | L | 98.7 | Very high | 98.6 | Very high | 73 Ų | 73 | 99.9 Ų | 99.9 | 38% | 0.382 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.5 | -48.6 | 179.8 | 177 | 60.6 | 0 | 0 | 0 | 111 | Y143 D144 E145 T149 K150 L151 | Y143-L147 HydrophobicContact CE1-CD2 4.09Å; Y143-L147 WeakPolarHBondContact O-CB 3.45Å; Y143-L147 PolarHBondContact O-N 3.4Å; D144-L147 PolarHBondContact O-N 2.98Å; E145-L147 PolarHBondContact O-N 3.22Å; L147-T149 VanDerWaalsContact C-N 3.35Å; L147-T149 PolarHBondContact O-N 2.91Å; L147-K150 PolarHBondContact O-N 3.01Å; L147-L151 HydrophobicContact CD1-CD1 4.15Å; L147-L151 HydrophobicContact CD1-CG 4.27Å; L147-L151 HydrophobicContact CG-CD1 4.17Å; L147-L151 WeakPolarHBondContact O-CG 3.35Å; L147-L151 PolarHBondContact O-N 3.11Å |
| 148 | T | 98.6 | Very high | 98.6 | Very high | 94 Ų | 94 | 103.9 Ų | 103.9 | 58% | 0.577 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.2 | -46.4 | 179 | -58.8 | 0 | 0 | 0 | 0 | 111 | D144 E145 I146 K150 L151 A152 | D144-T148 VanDerWaalsContact O-CB 3.28Å; D144-T148 WeakPolarHBondContact O-CB 3.35Å; D144-T148 PolarHBondContact O-N 3.07Å; D144-T148 PolarHBondContact O-OG1 3.48Å; E145-T148 PolarHBondContact O-N 3.47Å; I146-T148 PolarHBondContact O-N 2.93Å; T148-K150 PolarHBondContact O-N 3.35Å; T148-L151 PolarHBondContact O-N 3.12Å; T148-A152 WeakPolarHBondContact O-CB 3.2Å; T148-A152 PolarHBondContact O-N 3.33Å |
| 149 | T | 98.7 | Very high | 98.5 | Very high | 64 Ų | 64 | 101.2 Ų | 101.2 | 39% | 0.393 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 177.3 | -59 | 0 | 0 | 0 | 0 | 111.2 | E145 I146 L147 L151 A152 E153 | E145-T149 WeakPolarHBondContact O-CB 3.1Å; E145-T149 PolarHBondContact O-N 3.15Å; E145-T149 PolarHBondContact O-OG1 3.42Å; I146-T149 PolarHBondContact O-N 3.02Å; L147-T149 VanDerWaalsContact C-N 3.35Å; L147-T149 PolarHBondContact O-N 2.91Å; T149-L151 PolarHBondContact O-N 3.39Å; T149-A152 PolarHBondContact O-N 3.24Å; T149-E153 WeakPolarHBondContact O-CG 3.19Å; T149-E153 PolarHBondContact O-N 3.5Å |
| 150 | K | 98.7 | Very high | 98.5 | Very high | 103 Ų | 103 | 101.6 Ų | 101.6 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -38.6 | 179.5 | -69.5 | -71.7 | 153.7 | -145.2 | 0 | 112.5 | I146 L147 T148 E153 Q154 | I146-K150 HydrophobicContact CG2-CG 4.2Å; I146-K150 WeakPolarHBondContact O-CB 3.42Å; I146-K150 WeakPolarHBondContact O-CG 3.25Å; I146-K150 PolarHBondContact O-N 2.96Å; L147-K150 PolarHBondContact O-N 3.01Å; T148-K150 PolarHBondContact O-N 3.35Å; K150-E153 IonicContact NZ-OE1 2.67Å; K150-E153 PolarHBondContact NZ-OE1 2.87Å; K150-E153 IonicContact NZ-OE2 3.16Å; K150-E153 PolarHBondContact NZ-OE2 2.93Å; K150-Q154 WeakPolarHBondContact O-CG 3.42Å; K150-Q154 PolarHBondContact O-N 3.16Å; K150-Q154 VanDerWaalsContact O-N 3.11Å |
| 151 | L | 98.8 | Very high | 98.4 | Very high | 98 Ų | 98 | 101.8 Ų | 101.8 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.9 | -40.7 | 175.6 | -71.2 | 174.2 | 0 | 0 | 0 | 111.7 | L147 T148 T149 Q154 Y155 | L147-L151 HydrophobicContact CD1-CD1 4.15Å; L147-L151 HydrophobicContact CD1-CG 4.27Å; L147-L151 HydrophobicContact CG-CD1 4.17Å; L147-L151 WeakPolarHBondContact O-CG 3.35Å; L147-L151 PolarHBondContact O-N 3.11Å; T148-L151 PolarHBondContact O-N 3.12Å; T149-L151 PolarHBondContact O-N 3.39Å; L151-Q154 PolarHBondContact O-N 3.4Å; L151-Y155 PolarHBondContact O-N 3.16Å |
| 152 | A | 98.6 | Very high | 98.2 | Very high | 48 Ų | 48 | 98.8 Ų | 98.8 | 40% | 0.397 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T148 T149 Q154 Y155 D156 | T148-A152 WeakPolarHBondContact O-CB 3.2Å; T148-A152 PolarHBondContact O-N 3.33Å; T149-A152 PolarHBondContact O-N 3.24Å; A152-Q154 VanDerWaalsContact C-N 3.28Å; A152-Q154 PolarHBondContact O-N 3.14Å; A152-Y155 WeakPolarHBondContact O-CB 3.45Å; A152-Y155 PolarHBondContact O-N 2.75Å; A152-Y155 VanDerWaalsContact O-N 3.13Å; A152-D156 PolarHBondContact O-N 2.76Å |
| 153 | E | 98.6 | Very high | 98.1 | Very high | 95 Ų | 95 | 99.5 Ų | 99.5 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.6 | -41.8 | 175.2 | -75.2 | 173.3 | 178.3 | 0 | 0 | 111.9 | T149 K150 A157 | T149-E153 WeakPolarHBondContact O-CG 3.19Å; T149-E153 PolarHBondContact O-N 3.5Å; K150-E153 IonicContact NZ-OE1 2.67Å; K150-E153 PolarHBondContact NZ-OE1 2.87Å; K150-E153 IonicContact NZ-OE2 3.16Å; K150-E153 PolarHBondContact NZ-OE2 2.93Å; E153-A157 VanDerWaalsContact O-CB 3.32Å; E153-A157 WeakPolarHBondContact O-CB 3.31Å; E153-A157 PolarHBondContact O-N 3.39Å |
| 154 | Q | 98.6 | Very high | 97.9 | Very high | 134 Ų | 134 | 96 Ų | 96 | 63% | 0.626 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.2 | -44.4 | 176.2 | -75.4 | -177.7 | 1.4 | 0 | 0 | 112 | K150 L151 A152 A157 F158 | K150-Q154 WeakPolarHBondContact O-CG 3.42Å; K150-Q154 PolarHBondContact O-N 3.16Å; K150-Q154 VanDerWaalsContact O-N 3.11Å; L151-Q154 PolarHBondContact O-N 3.4Å; A152-Q154 VanDerWaalsContact C-N 3.28Å; A152-Q154 PolarHBondContact O-N 3.14Å; Q154-A157 PolarHBondContact O-N 3.4Å; Q154-F158 PolarHBondContact O-N 2.83Å |
| 155 | Y | 98.5 | Very high | 97.6 | Very high | 158 Ų | 158 | 95.2 Ų | 95.2 | 62% | 0.62 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.2 | -49.3 | 176.6 | 176.7 | -97.8 | 0 | 0 | 0 | 111.3 | L151 A152 A157 F158 V159 | L151-Y155 PolarHBondContact O-N 3.16Å; A152-Y155 WeakPolarHBondContact O-CB 3.45Å; A152-Y155 PolarHBondContact O-N 2.75Å; A152-Y155 VanDerWaalsContact O-N 3.13Å; Y155-A157 VanDerWaalsContact C-N 3.33Å; Y155-A157 PolarHBondContact O-N 2.94Å; Y155-F158 WeakPolarHBondContact O-CB 3.41Å; Y155-F158 PolarHBondContact O-N 3.27Å; Y155-F158 VanDerWaalsContact O-N 3.15Å; Y155-V159 HydrophobicContact CD1-CG2 4.21Å; Y155-V159 HydrophobicContact CD2-CG2 4.44Å; Y155-V159 HydrophobicContact CE1-CG2 3.75Å; Y155-V159 HydrophobicContact CE2-CG2 4Å; Y155-V159 WeakPolarHBondContact O-CG2 3.36Å; Y155-V159 PolarHBondContact O-N 2.88Å |
| 156 | D | 98.3 | Very high | 97.3 | Very high | 82 Ų | 82 | 93.7 Ų | 93.7 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 179 | -78.5 | -5.1 | 0 | 0 | 0 | 111.9 | A152 F158 V159 K160 | A152-D156 PolarHBondContact O-N 2.76Å; D156-F158 VanDerWaalsContact C-N 3.34Å; D156-F158 PolarHBondContact O-N 3.03Å; D156-V159 PolarHBondContact O-N 3.38Å; D156-K160 VanDerWaalsContact O-CB 3.31Å; D156-K160 WeakPolarHBondContact O-CB 3.25Å; D156-K160 VanDerWaalsContact O-CG 3.25Å; D156-K160 WeakPolarHBondContact O-CG 3.31Å; D156-K160 PolarHBondContact O-N 3.48Å |
| 157 | A | 97.9 | Very high | 96.8 | Very high | 58 Ų | 58 | 93.9 Ų | 93.9 | 48% | 0.479 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E153 Q154 Y155 F161 | E153-A157 VanDerWaalsContact O-CB 3.32Å; E153-A157 WeakPolarHBondContact O-CB 3.31Å; E153-A157 PolarHBondContact O-N 3.39Å; Q154-A157 PolarHBondContact O-N 3.4Å; Y155-A157 VanDerWaalsContact C-N 3.33Å; Y155-A157 PolarHBondContact O-N 2.94Å; A157-F161 VanDerWaalsContact O-CB 3.31Å; A157-F161 WeakPolarHBondContact O-CB 3.48Å; A157-F161 PolarHBondContact O-N 3.41Å |
| 158 | F | 97.9 | Very high | 96.4 | Very high | 138 Ų | 138 | 97.3 Ų | 97.3 | 61% | 0.605 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.5 | -44.7 | 177.2 | 174.9 | -98.6 | 0 | 0 | 0 | 112.3 | Q154 Y155 D156 F161 T162 | Q154-F158 PolarHBondContact O-N 2.83Å; Y155-F158 WeakPolarHBondContact O-CB 3.41Å; Y155-F158 PolarHBondContact O-N 3.27Å; Y155-F158 VanDerWaalsContact O-N 3.15Å; D156-F158 VanDerWaalsContact C-N 3.34Å; D156-F158 PolarHBondContact O-N 3.03Å; F158-F161 PolarHBondContact O-N 3.09Å; F158-T162 PolarHBondContact O-N 3.02Å; F158-T162 PolarHBondContact O-OG1 2.77Å |
| 159 | V | 97.9 | Very high | 95.7 | Very high | 61 Ų | 61 | 101.8 Ų | 101.8 | 37% | 0.37 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 177.5 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | Y155 D156 F161 T162 H163 | Y155-V159 HydrophobicContact CD1-CG2 4.21Å; Y155-V159 HydrophobicContact CD2-CG2 4.44Å; Y155-V159 HydrophobicContact CE1-CG2 3.75Å; Y155-V159 HydrophobicContact CE2-CG2 4Å; Y155-V159 WeakPolarHBondContact O-CG2 3.36Å; Y155-V159 PolarHBondContact O-N 2.88Å; D156-V159 PolarHBondContact O-N 3.38Å; V159-F161 PolarHBondContact O-N 2.98Å; V159-T162 PolarHBondContact O-N 3.43Å; V159-H163 WeakPolarHBondContact O-CB 3.41Å; V159-H163 PolarHBondContact O-N 2.88Å |
| 160 | K | 97.4 | Very high | 94.7 | Very high | 134 Ų | 134 | 105.2 Ų | 105.2 | 58% | 0.583 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.5 | -47 | 176.1 | -75.8 | 173.6 | -177.7 | 173.1 | 0 | 111.7 | D156 T162 H163 D164 | D156-K160 VanDerWaalsContact O-CB 3.31Å; D156-K160 WeakPolarHBondContact O-CB 3.25Å; D156-K160 VanDerWaalsContact O-CG 3.25Å; D156-K160 WeakPolarHBondContact O-CG 3.31Å; D156-K160 PolarHBondContact O-N 3.48Å; K160-T162 VanDerWaalsContact C-N 3.32Å; K160-T162 PolarHBondContact O-N 2.76Å; K160-H163 PolarHBondContact O-N 3.26Å; K160-D164 WeakPolarHBondContact O-CB 3.32Å; K160-D164 VanDerWaalsContact O-CG 3.24Å; K160-D164 PolarHBondContact O-N 3.12Å |
| 161 | F | 97.5 | Very high | 93 | Very high | 120 Ų | 120 | 103 Ų | 103 | 53% | 0.526 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.8 | -46 | 176.6 | 176.5 | -98.8 | 0 | 0 | 0 | 111.7 | A157 F158 V159 D164 Q165 | A157-F161 VanDerWaalsContact O-CB 3.31Å; A157-F161 WeakPolarHBondContact O-CB 3.48Å; A157-F161 PolarHBondContact O-N 3.41Å; F158-F161 PolarHBondContact O-N 3.09Å; V159-F161 PolarHBondContact O-N 2.98Å; F161-D164 PolarHBondContact O-N 3.33Å; F161-Q165 HydrophobicContact CD1-CG 4.16Å; F161-Q165 HydrophobicContact CD2-CG 4.3Å; F161-Q165 HydrophobicContact CE1-CG 3.79Å; F161-Q165 HydrophobicContact CE2-CG 3.94Å; F161-Q165 HydrophobicContact CG-CG 4.42Å; F161-Q165 HydrophobicContact CZ-CG 3.67Å; F161-Q165 WeakPolarHBondContact O-CB 3.17Å; F161-Q165 WeakPolarHBondContact O-CG 3.43Å; F161-Q165 PolarHBondContact O-N 3.35Å |
| 162 | T | 94.9 | Very high | 91 | Very high | 70 Ų | 70 | 106.1 Ų | 106.1 | 43% | 0.429 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 179.4 | -55 | 0 | 0 | 0 | 0 | 111.6 | F158 V159 K160 Q165 L166 | F158-T162 PolarHBondContact O-N 3.02Å; F158-T162 PolarHBondContact O-OG1 2.77Å; V159-T162 PolarHBondContact O-N 3.43Å; K160-T162 VanDerWaalsContact C-N 3.32Å; K160-T162 PolarHBondContact O-N 2.76Å; T162-Q165 PolarHBondContact O-N 3.33Å; T162-L166 PolarHBondContact O-N 3.21Å |
| 163 | H | 94.8 | Very high | 88.9 | Confident | 108 Ų | 108 | 110.4 Ų | 110.4 | 50% | 0.5 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 176 | -176.5 | 72.2 | 0 | 0 | 0 | 111.7 | V159 K160 Q165 L166 M167 | V159-H163 WeakPolarHBondContact O-CB 3.41Å; V159-H163 PolarHBondContact O-N 2.88Å; K160-H163 PolarHBondContact O-N 3.26Å; H163-Q165 VanDerWaalsContact C-N 3.32Å; H163-Q165 PolarHBondContact O-N 2.73Å; H163-L166 WeakPolarHBondContact O-CB 3.39Å; H163-L166 PolarHBondContact O-N 2.67Å; H163-L166 VanDerWaalsContact O-N 3.16Å; H163-M167 WeakPolarHBondContact O-CG 3.38Å; H163-M167 PolarHBondContact O-N 3.42Å |
| 164 | D | 94.8 | Very high | 86.8 | Confident | 75 Ų | 75 | 111.2 Ų | 111.2 | 40% | 0.401 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64 | -36.4 | 179.1 | -72.1 | -6.6 | 0 | 0 | 0 | 112.4 | K160 F161 L166 M167 R168 | K160-D164 WeakPolarHBondContact O-CB 3.32Å; K160-D164 VanDerWaalsContact O-CG 3.24Å; K160-D164 PolarHBondContact O-N 3.12Å; F161-D164 PolarHBondContact O-N 3.33Å; D164-L166 VanDerWaalsContact C-N 3.35Å; D164-M167 PolarHBondContact O-N 2.92Å; D164-R168 WeakPolarHBondContact O-CB 3.14Å; D164-R168 PolarHBondContact O-N 3.1Å; D164-R168 PolarHBondContact O-NE 2.82Å |
| 165 | Q | 92.1 | Very high | 84.7 | Confident | 64 Ų | 64 | 108.9 Ų | 108.9 | 30% | 0.299 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.4 | -37.7 | 175.5 | -72.4 | -70.8 | 87.7 | 0 | 0 | 111.5 | F161 T162 H163 R169 | F161-Q165 HydrophobicContact CD1-CG 4.16Å; F161-Q165 HydrophobicContact CD2-CG 4.3Å; F161-Q165 HydrophobicContact CE1-CG 3.79Å; F161-Q165 HydrophobicContact CE2-CG 3.94Å; F161-Q165 HydrophobicContact CG-CG 4.42Å; F161-Q165 HydrophobicContact CZ-CG 3.67Å; F161-Q165 WeakPolarHBondContact O-CB 3.17Å; F161-Q165 WeakPolarHBondContact O-CG 3.43Å; F161-Q165 PolarHBondContact O-N 3.35Å; T162-Q165 PolarHBondContact O-N 3.33Å; H163-Q165 VanDerWaalsContact C-N 3.32Å; H163-Q165 PolarHBondContact O-N 2.73Å; Q165-R169 WeakPolarHBondContact O-CG 3.39Å; Q165-R169 PolarHBondContact O-N 2.99Å; Q165-R169 VanDerWaalsContact O-N 3.12Å |
| 166 | L | 92.6 | Very high | 82.7 | Confident | 93 Ų | 93 | 106.4 Ų | 106.4 | 49% | 0.487 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.8 | -49.3 | 173.6 | -171.5 | 73.3 | 0 | 0 | 0 | 110.5 | T162 H163 D164 R168 R169 F170 | T162-L166 PolarHBondContact O-N 3.21Å; H163-L166 WeakPolarHBondContact O-CB 3.39Å; H163-L166 PolarHBondContact O-N 2.67Å; H163-L166 VanDerWaalsContact O-N 3.16Å; D164-L166 VanDerWaalsContact C-N 3.35Å; L166-R168 VanDerWaalsContact C-N 3.34Å; L166-R168 PolarHBondContact O-N 3.05Å; L166-R169 PolarHBondContact O-N 3.25Å; L166-R169 VanDerWaalsContact O-N 3.16Å; L166-F170 HydrophobicContact CD1-CD2 3.44Å; L166-F170 VanDerWaalsContact CD1-CD2 3.44Å; L166-F170 HydrophobicContact CD1-CE2 3.46Å; L166-F170 VanDerWaalsContact CD1-CE2 3.46Å; L166-F170 HydrophobicContact CG-CD2 4Å; L166-F170 HydrophobicContact CG-CE2 4.48Å; L166-F170 WeakPolarHBondContact O-CD2 3.37Å; L166-F170 PolarHBondContact O-N 3.27Å |
| 167 | M | 88.9 | Confident | 80.8 | Confident | 102 Ų | 102 | 113 Ų | 113 | 50% | 0.502 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.6 | -36.1 | 180 | -72.3 | -54.6 | -56.2 | 0 | 0 | 112.9 | H163 D164 G171 | H163-M167 WeakPolarHBondContact O-CG 3.38Å; H163-M167 PolarHBondContact O-N 3.42Å; D164-M167 PolarHBondContact O-N 2.92Å; M167-G171 WeakPolarHBondContact O-CA 3.39Å; M167-G171 PolarHBondContact O-N 3.17Å |
| 168 | R | 89.8 | Confident | 78.6 | Confident | 145 Ų | 145 | 115.8 Ų | 115.8 | 55% | 0.547 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.7 | -42.4 | 171.6 | -95.8 | 175.2 | -82.7 | -169.1 | -9.7 | 112.7 | D164 L166 | D164-R168 WeakPolarHBondContact O-CB 3.14Å; D164-R168 PolarHBondContact O-N 3.1Å; D164-R168 PolarHBondContact O-NE 2.82Å; L166-R168 VanDerWaalsContact C-N 3.34Å; L166-R168 PolarHBondContact O-N 3.05Å |
| 169 | R | 84.6 | Confident | 76.1 | Confident | 188 Ų | 188 | 118.5 Ų | 118.5 | 71% | 0.709 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.2 | -34.6 | -179.9 | -74.5 | -165.8 | -158.3 | -113.9 | 9.8 | 113.7 | Q165 L166 | Q165-R169 WeakPolarHBondContact O-CG 3.39Å; Q165-R169 PolarHBondContact O-N 2.99Å; Q165-R169 VanDerWaalsContact O-N 3.12Å; L166-R169 PolarHBondContact O-N 3.25Å; L166-R169 VanDerWaalsContact O-N 3.16Å |
| 170 | F | 76.6 | Confident | 75 | Confident | 135 Ų | 135 | 121.4 Ų | 121.4 | 59% | 0.592 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -112.3 | -19.3 | -171.8 | -66.8 | -77.9 | 0 | 0 | 0 | 114.5 | L166 | L166-F170 HydrophobicContact CD1-CD2 3.44Å; L166-F170 VanDerWaalsContact CD1-CD2 3.44Å; L166-F170 HydrophobicContact CD1-CE2 3.46Å; L166-F170 VanDerWaalsContact CD1-CE2 3.46Å; L166-F170 HydrophobicContact CG-CD2 4Å; L166-F170 HydrophobicContact CG-CE2 4.48Å; L166-F170 WeakPolarHBondContact O-CD2 3.37Å; L166-F170 PolarHBondContact O-N 3.27Å |
| 171 | G | 63.4 | Low | 73.9 | Confident | 56 Ų | 56 | 120.7 Ų | 120.7 | 58% | 0.577 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -79.7 | -16.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | M167 | M167-G171 WeakPolarHBondContact O-CA 3.39Å; M167-G171 PolarHBondContact O-N 3.17Å |
| 172 | E | 57.2 | Low | 72.6 | Confident | 165 Ų | 165 | 120.8 Ų | 120.8 | 77% | 0.771 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -100.9 | 1.2 | 178.7 | -144.9 | 166.5 | -148.2 | 0 | 0 | 113 | P174 | E172-P174 WeakPolarHBondContact O-CD 3.19Š|
| 173 | Q | 55.5 | Low | 71.2 | Confident | 138 Ų | 138 | 123.8 Ų | 123.8 | 65% | 0.645 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -71.9 | 114.3 | 164.5 | -83.5 | -153.7 | -1.1 | 0 | 0 | 108.2 | A175 | Q173-A175 PolarHBondContact O-N 3.46Š|
| 174 | P | 53.6 | Low | 69.8 | Low | 112 Ų | 112 | 124.8 Ų | 124.8 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | trans | -56.2 | 133.7 | 167.2 | 24.7 | -31.2 | 0 | 0 | 0 | 107 | E172 S176 | E172-P174 WeakPolarHBondContact O-CD 3.19Å; P174-S176 PolarHBondContact O-N 3.16Å | ||
| 175 | A | 54.3 | Low | 68.1 | Low | 84 Ų | 84 | 128.1 Ų | 128.1 | 69% | 0.694 | 68% | 0.682 | S | S | * | * | trans | -49.5 | 104.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | Q173 Y177 | Q173-A175 PolarHBondContact O-N 3.46Å; A175-Y177 HydrophobicContact CB-CD2 4.28Å; A175-Y177 PolarHBondContact O-N 3.1Å | ||
| 176 | S | 55.5 | Low | 66.4 | Low | 106 Ų | 106 | 132.6 Ų | 132.6 | 74% | 0.741 | 71% | 0.71 | S | S | * | * | trans | -71.5 | 79.2 | 179.5 | 177.1 | 0 | 0 | 0 | 0 | 107.6 | P174 V178 | P174-S176 PolarHBondContact O-N 3.16Å; S176-V178 PolarHBondContact O-N 3.28Å | ||
| 177 | Y | 58.6 | Low | 64.4 | Low | 220 Ų | 220 | 135.7 Ų | 135.7 | 86% | 0.863 | 73% | 0.727 | S | S | * | * | trans | -79 | 62.9 | 172.8 | -112.8 | -83.2 | 0 | 0 | 0 | 109.3 | A175 | A175-Y177 HydrophobicContact CB-CD2 4.28Å; A175-Y177 PolarHBondContact O-N 3.1Å | ||
| 178 | V | 52.1 | Low | 62.3 | Low | 118 Ų | 118 | 138.5 Ų | 138.5 | 72% | 0.715 | 75% | 0.746 | S | S | * | * | trans | -149.8 | 109.8 | 159.5 | -170.8 | 0 | 0 | 0 | 0 | 108.5 | S176 | S176-V178 PolarHBondContact O-N 3.28Š| ||
| 179 | S | 46.7 | Very low | 59.8 | Low | 195 Ų | 195 | 137.9 Ų | 137.9 | 100% | 1.364 | 76% | 0.764 | S | S | * | * | trans | -124.6 | 0 | 142.5 | -67.3 | 0 | 0 | 0 | 0 | 106.5 |
Retrieved 179 of 179 residues in 220.2 ms
(Link to these results)