| 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 | 38.6 | Very low | 36.1 | Very low | 246 Ų | 246 | 159.8 Ų | 159.8 | 100% | 1.212 | 83% | 0.833 | S | S | * | * | 0 | 142.6 | 0 | -76.1 | 162.5 | 85 | 0 | 0 | 108.2 | |||||
| 2 | S | 35.5 | Very low | 35.6 | Very low | 113 Ų | 113 | 163.2 Ų | 163.2 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | trans | -73.3 | 145.5 | -151.1 | -54.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 3 | Q | 36.8 | Very low | 35 | Very low | 156 Ų | 156 | 166.2 Ų | 166.2 | 73% | 0.729 | 82% | 0.824 | S | S | * | * | trans | 53.2 | 117.5 | 137.9 | -68.4 | -150.3 | 54.5 | 0 | 0 | 121.1 | ||||
| 4 | Q | 40.1 | Very low | 34.7 | Very low | 189 Ų | 189 | 168.6 Ų | 168.6 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | -164.4 | 104.6 | 104.7 | -97.5 | 167.7 | 25.8 | 0 | 0 | 107 | |||||
| 5 | N | 34.5 | Very low | 34.8 | Very low | 135 Ų | 135 | 169.5 Ų | 169.5 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | 52.4 | 123.3 | 79.9 | -109.3 | 14.1 | 0 | 0 | 0 | 112.4 | |||||
| 6 | V | 34.9 | Very low | 35.5 | Very low | 117 Ų | 117 | 166.8 Ų | 166.8 | 71% | 0.709 | 82% | 0.821 | S | S | * | * | cis | -161.2 | 154.3 | 13.7 | 177 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 7 | P | 46.5 | Very low | 35.3 | Very low | 108 Ų | 108 | 161.8 Ų | 161.8 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | trans | -93.3 | 160.4 | -168.4 | 36 | -33.1 | 0 | 0 | 0 | 115.7 | ||||
| 8 | F | 29.4 | Very low | 35 | Very low | 219 Ų | 219 | 157.2 Ų | 157.2 | 96% | 0.961 | 82% | 0.822 | S | S | * | * | trans | -83.7 | 116 | 170.3 | -122.8 | -97.1 | 0 | 0 | 0 | 110 | ||||
| 9 | T | 37.5 | Very low | 35 | Very low | 130 Ų | 130 | 156.7 Ų | 156.7 | 80% | 0.798 | 83% | 0.825 | S | S | * | * | trans | -102.5 | 132.4 | 170.7 | 35.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 10 | M | 31.7 | Very low | 34.7 | Very low | 175 Ų | 175 | 153.9 Ų | 153.9 | 86% | 0.862 | 83% | 0.825 | S | S | * | * | trans | -90.8 | 137.9 | 168.5 | -152.3 | -170.3 | -157.4 | 0 | 0 | 108.6 | ||||
| 11 | Q | 32 | Very low | 34.4 | Very low | 170 Ų | 170 | 155.3 Ų | 155.3 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | 158.5 | 126.2 | 130.3 | -84.6 | -168.5 | 16.3 | 0 | 0 | 114 | ||||
| 12 | Y | 29.4 | Very low | 33.8 | Very low | 200 Ų | 200 | 149.1 Ų | 149.1 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | 26.6 | 131.2 | 141.7 | -73 | -95.2 | 0 | 0 | 0 | 122.9 | ||||
| 13 | W | 28 | Very low | 33.6 | Very low | 202 Ų | 202 | 148 Ų | 148 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | 163.9 | 125.7 | 103.9 | -94.2 | 91.3 | 0 | 0 | 0 | 112.7 | |||||
| 14 | R | 31.1 | Very low | 33.3 | Very low | 200 Ų | 200 | 152.7 Ų | 152.7 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | trans | 49 | 119 | 133.4 | -161.4 | -177.5 | -92 | -136.1 | 5.2 | 122.1 | ||||
| 15 | H | 35.2 | Very low | 33.1 | Very low | 182 Ų | 182 | 156.1 Ų | 156.1 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | 22 | 147.6 | 147.1 | -75.7 | -50.1 | 0 | 0 | 0 | 122 | ||||
| 16 | P | 46.7 | Very low | 33 | Very low | 127 Ų | 127 | 152.7 Ų | 152.7 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | -151.4 | -177.2 | 56.9 | 36.9 | -12.7 | 0 | 0 | 0 | 116.8 | |||||
| 17 | G | 32.9 | Very low | 33.1 | Very low | 81 Ų | 81 | 157.2 Ų | 157.2 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | trans | -72.7 | 173.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 18 | G | 29.9 | Very low | 32.4 | Very low | 80 Ų | 80 | 157.8 Ų | 157.8 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | 166.8 | 127.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 19 | V | 33.4 | Very low | 32.4 | Very low | 147 Ų | 147 | 153.3 Ų | 153.3 | 89% | 0.891 | 82% | 0.823 | S | S | * | * | trans | -70.7 | 141.5 | -170.3 | 180 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 20 | A | 29.5 | Very low | 32.1 | Very low | 100 Ų | 100 | 153.8 Ų | 153.8 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | -159.8 | 127 | 147 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 21 | M | 29.2 | Very low | 32 | Very low | 185 Ų | 185 | 150.9 Ų | 150.9 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -68.1 | 150.3 | 174.2 | -71.7 | -170.6 | 152.7 | 0 | 0 | 113.3 | ||||
| 22 | S | 26.3 | Very low | 32 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | 175 | 116.3 | 107.9 | -163.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 23 | A | 30.1 | Very low | 32.2 | Very low | 88 Ų | 88 | 145 Ų | 145 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | 38.7 | 116.5 | 142.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 24 | R | 31.2 | Very low | 32.5 | Very low | 255 Ų | 255 | 140.4 Ų | 140.4 | 96% | 0.962 | 81% | 0.805 | S | S | * | * | -148.1 | 136.3 | 123.2 | -104.1 | 175.7 | -154.7 | -144.8 | 4.9 | 110.6 | |||||
| 25 | R | 36.4 | Very low | 32.7 | Very low | 261 Ų | 261 | 135.8 Ų | 135.8 | 99% | 0.985 | 80% | 0.802 | S | S | * | * | trans | -67.1 | 129.8 | -167 | -67.2 | 173.7 | 175 | -169.1 | -2.9 | 112.8 | ||||
| 26 | G | 32.6 | Very low | 32.7 | Very low | 64 Ų | 64 | 137.9 Ų | 137.9 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | trans | -143 | 115.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | V28 | G26-V28 PolarHBondContact O-N 3.33Š| ||
| 27 | K | 36.3 | Very low | 32.1 | Very low | 212 Ų | 212 | 136.3 Ų | 136.3 | 92% | 0.922 | 80% | 0.796 | S | S | * | * | trans | -63 | 106.3 | 178.4 | -82.2 | 174.2 | 171 | 177.5 | 0 | 108.8 | ||||
| 28 | V | 31.1 | Very low | 32.3 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -101.5 | 105.1 | 160.4 | -179.3 | 0 | 0 | 0 | 0 | 105.6 | G26 L30 | G26-V28 PolarHBondContact O-N 3.33Å; V28-L30 VanDerWaalsContact C-N 3.33Å; V28-L30 HydrophobicContact CG1-CD1 4.47Å; V28-L30 PolarHBondContact O-N 2.79Å | ||
| 29 | T | 30.8 | Very low | 32.4 | Very low | 125 Ų | 125 | 142.2 Ų | 142.2 | 77% | 0.767 | 80% | 0.795 | S | S | * | * | trans | -69.7 | 97 | 167.6 | -52.3 | 0 | 0 | 0 | 0 | 106.4 | C31 | T29-C31 PolarHBondContact O-N 3.25Š| ||
| 30 | L | 30.9 | Very low | 32.4 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 73% | 0.728 | 79% | 0.787 | S | S | * | * | trans | -68.3 | 108.4 | 168.8 | -140.2 | 85.5 | 0 | 0 | 0 | 106.5 | V28 T32 | V28-L30 VanDerWaalsContact C-N 3.33Å; V28-L30 HydrophobicContact CG1-CD1 4.47Å; V28-L30 PolarHBondContact O-N 2.79Å; L30-T32 VanDerWaalsContact C-N 3.31Å; L30-T32 PolarHBondContact O-N 3.14Å | ||
| 31 | C | 29.3 | Very low | 32.4 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | -67.6 | 97.9 | 163.7 | -79.2 | 0 | 0 | 0 | 0 | 107.3 | T29 V33 | T29-C31 PolarHBondContact O-N 3.25Å; C31-V33 PolarHBondContact O-N 2.77Å; C31-V33 VanDerWaalsContact O-N 3.08Å | ||
| 32 | T | 31.1 | Very low | 32.4 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 69% | 0.693 | 78% | 0.782 | S | S | * | * | trans | -58.4 | 109.5 | 166.2 | -29.5 | 0 | 0 | 0 | 0 | 107.2 | L30 V34 | L30-T32 VanDerWaalsContact C-N 3.31Å; L30-T32 PolarHBondContact O-N 3.14Å; T32-V34 VanDerWaalsContact C-N 3.29Å; T32-V34 PolarHBondContact O-N 2.81Å | ||
| 33 | V | 34.3 | Very low | 33.1 | Very low | 134 Ų | 134 | 139 Ų | 139 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -66.7 | 97 | 165 | 177.6 | 0 | 0 | 0 | 0 | 105.9 | C31 P35 | C31-V33 PolarHBondContact O-N 2.77Å; C31-V33 VanDerWaalsContact O-N 3.08Å; V33-P35 WeakPolarHBondContact O-CD 3.19Å | ||
| 34 | V | 33.8 | Very low | 33.1 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 63% | 0.63 | 79% | 0.788 | S | S | * | * | trans | -69.6 | 122 | 168 | 178.9 | 0 | 0 | 0 | 0 | 106.2 | T32 Y36 | T32-V34 VanDerWaalsContact C-N 3.29Å; T32-V34 PolarHBondContact O-N 2.81Å; V34-Y36 PolarHBondContact O-N 2.96Å; V34-Y36 VanDerWaalsContact O-N 3.09Å | ||
| 35 | P | 36.3 | Very low | 33.1 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | trans | -67.7 | 112.6 | 172.6 | 27.1 | -30.1 | 0 | 0 | 0 | 107.9 | V33 S37 | V33-P35 WeakPolarHBondContact O-CD 3.19Å; P35-S37 VanDerWaalsContact C-N 3.31Å; P35-S37 PolarHBondContact O-N 3.27Å | ||
| 36 | Y | 34.9 | Very low | 33.4 | Very low | 226 Ų | 226 | 124 Ų | 124 | 89% | 0.886 | 78% | 0.777 | S | S | * | * | trans | -62.9 | 97.5 | 163.2 | -98.9 | -96.8 | 0 | 0 | 0 | 107.4 | V34 | V34-Y36 PolarHBondContact O-N 2.96Å; V34-Y36 VanDerWaalsContact O-N 3.09Å | ||
| 37 | S | 33.5 | Very low | 33.4 | Very low | 94 Ų | 94 | 125.9 Ų | 125.9 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | trans | -76.5 | 134.2 | 160.3 | -62.5 | 0 | 0 | 0 | 0 | 107.5 | P35 L39 | P35-S37 VanDerWaalsContact C-N 3.31Å; P35-S37 PolarHBondContact O-N 3.27Å; S37-L39 PolarHBondContact O-N 3.04Å | ||
| 38 | P | 37.7 | Very low | 33.4 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | trans | -65.7 | 128.4 | 177.4 | 28 | -31.4 | 0 | 0 | 0 | 108 | S40 | P38-S40 PolarHBondContact O-N 3.25Š| ||
| 39 | L | 31.8 | Very low | 33.4 | Very low | 163 Ų | 163 | 123.2 Ų | 123.2 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -64.6 | 91.7 | 168 | -82.5 | 162.9 | 0 | 0 | 0 | 108 | S37 L41 | S37-L39 PolarHBondContact O-N 3.04Å; L39-L41 PolarHBondContact O-N 3.2Å; L39-L41 VanDerWaalsContact O-N 3.13Å | ||
| 40 | S | 32.6 | Very low | 33.8 | Very low | 103 Ų | 103 | 122.6 Ų | 122.6 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | -65.2 | 101.2 | 159 | 58.7 | 0 | 0 | 0 | 0 | 107.8 | P38 S42 | P38-S40 PolarHBondContact O-N 3.25Å; S40-S42 PolarHBondContact O-N 2.99Å | ||
| 41 | L | 30.7 | Very low | 33.8 | Very low | 167 Ų | 167 | 119.9 Ų | 119.9 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -72.6 | 88.9 | 159.4 | -96.9 | 87.1 | 0 | 0 | 0 | 107.6 | L39 | L39-L41 PolarHBondContact O-N 3.2Å; L39-L41 VanDerWaalsContact O-N 3.13Å | ||
| 42 | S | 29.5 | Very low | 34.3 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -76.3 | 130.2 | 162.8 | 74.7 | 0 | 0 | 0 | 0 | 109.2 | S40 | S40-S42 PolarHBondContact O-N 2.99Š| ||
| 43 | A | 39.6 | Very low | 34.6 | Very low | 102 Ų | 102 | 122.9 Ų | 122.9 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -44.1 | 147.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 44 | G | 31.4 | Very low | 35 | Very low | 80 Ų | 80 | 122 Ų | 122 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | 133.8 | 86.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 45 | A | 29.4 | Very low | 35.3 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | -174.7 | 126.1 | 128.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | S47 | A45-S47 PolarHBondContact O-N 3.42Š| |||
| 46 | A | 44 | Very low | 35.5 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -51.8 | 123.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 47 | S | 31.6 | Very low | 35.7 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -126.9 | 95.8 | 149 | 59.6 | 0 | 0 | 0 | 0 | 106.4 | A45 L49 | A45-S47 PolarHBondContact O-N 3.42Å; S47-L49 PolarHBondContact O-N 3.06Å | ||
| 48 | S | 36.8 | Very low | 35.7 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -40.4 | 104.5 | 163.6 | 42.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 49 | L | 32.1 | Very low | 35.8 | Very low | 161 Ų | 161 | 129.5 Ų | 129.5 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -69.3 | 123.9 | 161.8 | -76.1 | 168 | 0 | 0 | 0 | 107.2 | S47 S51 | S47-L49 PolarHBondContact O-N 3.06Å; L49-S51 PolarHBondContact O-N 3.39Å | ||
| 50 | P | 37.6 | Very low | 36.3 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | trans | -67.5 | 124.4 | 170.5 | 28 | -28.8 | 0 | 0 | 0 | 107.7 | L52 | P50-L52 PolarHBondContact O-N 2.89Å; P50-L52 VanDerWaalsContact O-N 3.09Å | ||
| 51 | S | 32.2 | Very low | 36.8 | Very low | 82 Ų | 82 | 129.9 Ų | 129.9 | 57% | 0.573 | 80% | 0.804 | S | S | * | * | trans | -34.7 | 113 | 156.5 | 165.4 | 0 | 0 | 0 | 0 | 110.4 | L49 S53 | L49-S51 PolarHBondContact O-N 3.39Å; S51-S53 PolarHBondContact O-N 2.91Å; S51-S53 VanDerWaalsContact OG-CB 3.31Å; S51-S53 WeakPolarHBondContact OG-CB 3.24Å; S51-S53 PolarHBondContact OG-N 3.48Å | ||
| 52 | L | 38.5 | Very low | 37.1 | Very low | 189 Ų | 189 | 129.2 Ų | 129.2 | 99% | 0.99 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -75.4 | 71.7 | 159.9 | -124.2 | 91.8 | 0 | 0 | 0 | 107.2 | P50 | P50-L52 PolarHBondContact O-N 2.89Å; P50-L52 VanDerWaalsContact O-N 3.09Å |
| 53 | S | 37.9 | Very low | 37.9 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -153.9 | 47.5 | 172.1 | -163.4 | 0 | 0 | 0 | 0 | 110.4 | S51 | S51-S53 PolarHBondContact O-N 2.91Å; S51-S53 VanDerWaalsContact OG-CB 3.31Å; S51-S53 WeakPolarHBondContact OG-CB 3.24Å; S51-S53 PolarHBondContact OG-N 3.48Å | ||
| 54 | T | 42.5 | Very low | 37.9 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -142.1 | 21 | -178.9 | -47 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 55 | Y | 39.8 | Very low | 38.4 | Very low | 236 Ų | 236 | 130.8 Ų | 130.8 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -122.8 | 78.7 | 162.4 | -100.1 | -91.1 | 0 | 0 | 0 | 109.4 | ||
| 56 | C | 40.6 | Very low | 38.9 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 168.1 | 51.3 | 149.4 | -89.2 | 0 | 0 | 0 | 0 | 110.1 | ||
| 57 | R | 40.1 | Very low | 38.7 | Very low | 247 Ų | 247 | 133.3 Ų | 133.3 | 93% | 0.932 | 78% | 0.784 | S | S | * | * | trans | -133.6 | 70 | 162 | -102.2 | -171.2 | -164.9 | -171.2 | 6.2 | 109 | A59 | R57-A59 PolarHBondContact O-N 3.36Š| ||
| 58 | T | 33.5 | Very low | 39.2 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | trans | -77 | 107.1 | 150.7 | -47 | 0 | 0 | 0 | 0 | 105.6 | M60 | T58-M60 PolarHBondContact O-N 3.46Š| ||
| 59 | A | 39.2 | Very low | 39.6 | Very low | 86 Ų | 86 | 136.4 Ų | 136.4 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | -58.3 | 107.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109 | R57 A61 | R57-A59 PolarHBondContact O-N 3.36Å; A59-A61 PolarHBondContact O-N 2.65Å | ||
| 60 | M | 42.3 | Very low | 40 | Very low | 178 Ų | 178 | 136.5 Ų | 136.5 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -91.1 | 76 | 150.7 | -73.4 | -70.6 | 178.1 | 0 | 0 | 106.3 | T58 D62 | T58-M60 PolarHBondContact O-N 3.46Å; M60-D62 VanDerWaalsContact C-N 3.35Å; M60-D62 PolarHBondContact O-N 3.29Å | ||
| 61 | A | 42.7 | Very low | 40.1 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -76.1 | 97.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 105.8 | A59 | A59-A61 PolarHBondContact O-N 2.65Š| ||
| 62 | D | 36.7 | Very low | 40.5 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -139.2 | 113.6 | 149.2 | -131.8 | -7.6 | 0 | 0 | 0 | 108.8 | M60 A64 | M60-D62 VanDerWaalsContact C-N 3.35Å; M60-D62 PolarHBondContact O-N 3.29Å; D62-A64 PolarHBondContact O-N 2.91Å | ||
| 63 | S | 46.9 | Very low | 40.7 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -63.9 | 114.2 | 168.9 | -68.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 64 | A | 39.2 | Very low | 40.6 | Very low | 85 Ų | 85 | 130.7 Ų | 130.7 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | trans | -127.8 | 79.9 | 160 | 0 | 0 | 0 | 0 | 0 | 108.2 | D62 E66 | D62-A64 PolarHBondContact O-N 2.91Å; A64-E66 VanDerWaalsContact C-N 3.31Å; A64-E66 PolarHBondContact O-N 2.89Å; A64-E66 VanDerWaalsContact O-N 3.16Å | ||
| 65 | S | 43.3 | Very low | 40.5 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -69.7 | 94.5 | 156.9 | -170.2 | 0 | 0 | 0 | 0 | 106.3 | S67 | S65-S67 VanDerWaalsContact C-N 3.29Å; S65-S67 PolarHBondContact O-N 3.18Å | ||
| 66 | E | 39.9 | Very low | 40.5 | Very low | 181 Ų | 181 | 124.5 Ų | 124.5 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -83.1 | 87 | 162.9 | -66.6 | -159.1 | 144.4 | 0 | 0 | 107 | A64 | A64-E66 VanDerWaalsContact C-N 3.31Å; A64-E66 PolarHBondContact O-N 2.89Å; A64-E66 VanDerWaalsContact O-N 3.16Å | ||
| 67 | S | 38.8 | Very low | 40.2 | Very low | 82 Ų | 82 | 123.8 Ų | 123.8 | 57% | 0.573 | 79% | 0.794 | S | S | * | * | trans | -56.7 | 125.8 | 159.4 | 46.6 | 0 | 0 | 0 | 0 | 109.3 | S65 T69 | S65-S67 VanDerWaalsContact C-N 3.29Å; S65-S67 PolarHBondContact O-N 3.18Å; S67-T69 PolarHBondContact O-N 2.9Å | ||
| 68 | D | 41.9 | Very low | 40.1 | Very low | 163 Ų | 163 | 118.2 Ų | 118.2 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -51.5 | 103.8 | 159.7 | -70.8 | -53.7 | 0 | 0 | 0 | 108.9 | ||||
| 69 | T | 45 | Very low | 40.4 | Very low | 120 Ų | 120 | 117.5 Ų | 117.5 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -94.7 | 91.1 | 164.2 | 58.7 | 0 | 0 | 0 | 0 | 108.2 | S67 G71 | S67-T69 PolarHBondContact O-N 2.9Å; T69-G71 PolarHBondContact O-N 2.84Å | ||
| 70 | D | 42.4 | Very low | 40.2 | Very low | 164 Ų | 164 | 122.7 Ų | 122.7 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -61.8 | 87.1 | 149.9 | -80.5 | -40.2 | 0 | 0 | 0 | 107.9 | A72 | D70-A72 PolarHBondContact O-N 3.19Å; D70-A72 VanDerWaalsContact O-N 3.11Å | ||
| 71 | G | 39.4 | Very low | 39.7 | Very low | 74 Ų | 74 | 119 Ų | 119 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | trans | -79.3 | 85.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | T69 | T69-G71 PolarHBondContact O-N 2.84Š| ||
| 72 | A | 39.1 | Very low | 39.1 | Very low | 95 Ų | 95 | 119.7 Ų | 119.7 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -45.9 | 152.6 | 167 | 0 | 0 | 0 | 0 | 0 | 113 | D70 | D70-A72 PolarHBondContact O-N 3.19Å; D70-A72 VanDerWaalsContact O-N 3.11Å | ||
| 73 | G | 43.3 | Very low | 38.9 | Very low | 79 Ų | 79 | 118.1 Ų | 118.1 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | -49.1 | 142.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 74 | S | 36 | Very low | 38.2 | Very low | 113 Ų | 113 | 117.2 Ų | 117.2 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -114.6 | 85.9 | 156.2 | -162.9 | 0 | 0 | 0 | 0 | 108.2 | S76 | S74-S76 PolarHBondContact O-N 3.44Š| ||
| 75 | S | 41 | Very low | 37.9 | Very low | 122 Ų | 122 | 118 Ų | 118 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -62.6 | 99.9 | 153.5 | 43.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 76 | S | 38.9 | Very low | 37.7 | Very low | 99 Ų | 99 | 121 Ų | 121 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | -111.6 | 94.5 | 157.6 | 73.3 | 0 | 0 | 0 | 0 | 108.6 | S74 | S74-S76 PolarHBondContact O-N 3.44Š| ||
| 77 | A | 34.7 | Very low | 37.5 | Very low | 100 Ų | 100 | 117 Ų | 117 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -62.9 | 125 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 78 | T | 37.3 | Very low | 37.3 | Very low | 131 Ų | 131 | 116.4 Ų | 116.4 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -130.6 | 137.5 | 145.9 | 24.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 79 | P | 40.6 | Very low | 37.5 | Very low | 109 Ų | 109 | 118.6 Ų | 118.6 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | trans | -90.5 | 143.3 | -163.9 | 36.2 | -31.2 | 0 | 0 | 0 | 110.1 | ||||
| 80 | M | 35.5 | Very low | 37.2 | Very low | 195 Ų | 195 | 117.6 Ų | 117.6 | 96% | 0.961 | 79% | 0.793 | S | S | * | * | trans | -123.9 | 112.9 | 156.2 | -72 | -123 | 77.4 | 0 | 0 | 108.7 | ||||
| 81 | S | 31.6 | Very low | 37.3 | Very low | 100 Ų | 100 | 115 Ų | 115 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | -63.8 | 143.2 | -175.2 | -59 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 82 | S | 30.1 | Very low | 37.6 | Very low | 110 Ų | 110 | 117.4 Ų | 117.4 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -3.8 | 126.9 | 145.7 | 55 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 83 | S | 32 | Very low | 38.2 | Very low | 122 Ų | 122 | 119.1 Ų | 119.1 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -139.6 | 109 | 141.8 | -64.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 84 | A | 31.6 | Very low | 38.7 | Very low | 102 Ų | 102 | 119 Ų | 119 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | -71.1 | 138.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 85 | S | 33.8 | Very low | 39.8 | Very low | 103 Ų | 103 | 117.4 Ų | 117.4 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | -158.6 | 98.9 | 147.3 | 55.8 | 0 | 0 | 0 | 0 | 109.6 | S87 | S85-S87 PolarHBondContact O-N 3.42Š| ||
| 86 | N | 39.5 | Very low | 41 | Very low | 178 Ų | 178 | 119.1 Ų | 119.1 | 95% | 0.952 | 75% | 0.745 | S | S | * | * | trans | -62 | 111.7 | 155.1 | -165.1 | 42.9 | 0 | 0 | 0 | 107.3 | ||||
| 87 | S | 35 | Very low | 42.6 | Very low | 97 Ų | 97 | 121.7 Ų | 121.7 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | trans | -149.7 | 127.8 | 167 | 58.5 | 0 | 0 | 0 | 0 | 108.9 | S85 | S85-S87 PolarHBondContact O-N 3.42Š| ||
| 88 | G | 35.6 | Very low | 44.6 | Very low | 68 Ų | 68 | 125.2 Ų | 125.2 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | trans | -55.5 | 157.5 | -163.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | P90 | G88-P90 WeakPolarHBondContact O-CD 3.38Š| ||
| 89 | K | 44.8 | Very low | 46.6 | Very low | 209 Ų | 209 | 123.2 Ų | 123.2 | 91% | 0.909 | 72% | 0.72 | S | S | * | * | trans | -31 | 115.6 | 158.3 | -60 | 169.1 | 178.2 | 175.3 | 0 | 111.1 | ||||
| 90 | P | 39.6 | Very low | 48.6 | Very low | 100 Ų | 100 | 123.8 Ų | 123.8 | 65% | 0.649 | 71% | 0.713 | S | S | * | * | trans | -88.3 | 114.3 | 136.9 | 32 | -18.5 | 0 | 0 | 0 | 105.3 | G88 I92 | G88-P90 WeakPolarHBondContact O-CD 3.38Å; P90-I92 HydrophobicContact CB-CG1 4.03Å; P90-I92 HydrophobicContact CG-CD1 4.33Å; P90-I92 HydrophobicContact CG-CG1 4.17Å; P90-I92 PolarHBondContact O-N 2.89Å | ||
| 91 | S | 44.1 | Very low | 51 | Low | 108 Ų | 108 | 120.1 Ų | 120.1 | 76% | 0.755 | 69% | 0.694 | S | S | * | * | trans | -63.5 | 81.4 | 157.7 | 178.3 | 0 | 0 | 0 | 0 | 106.9 | V93 | S91-V93 PolarHBondContact O-N 3.32Å; S91-V93 VanDerWaalsContact O-N 3.14Å | ||
| 92 | I | 46.4 | Very low | 53.6 | Low | 125 Ų | 125 | 120.4 Ų | 120.4 | 64% | 0.641 | 69% | 0.687 | S | S | * | * | trans | -69.6 | 108.3 | 166.3 | -62.4 | 177 | 0 | 0 | 0 | 104.4 | P90 I94 | P90-I92 HydrophobicContact CB-CG1 4.03Å; P90-I92 HydrophobicContact CG-CD1 4.33Å; P90-I92 HydrophobicContact CG-CG1 4.17Å; P90-I92 PolarHBondContact O-N 2.89Å; I92-I94 HydrophobicContact CG2-CG1 4.07Å; I92-I94 PolarHBondContact O-N 2.89Å | ||
| 93 | V | 51.4 | Low | 56.3 | Low | 131 Ų | 131 | 119 Ų | 119 | 79% | 0.794 | 67% | 0.673 | S | S | * | * | trans | -66.6 | 85.2 | 168.9 | -177.9 | 0 | 0 | 0 | 0 | 106.3 | S91 S95 | S91-V93 PolarHBondContact O-N 3.32Å; S91-V93 VanDerWaalsContact O-N 3.14Å; V93-S95 PolarHBondContact O-N 3.42Å | ||
| 94 | I | 53.9 | Low | 59 | Low | 77 Ų | 77 | 118.2 Ų | 118.2 | 40% | 0.395 | 66% | 0.66 | S | S | . | * | trans | -63.3 | 118.3 | 167.6 | -61.8 | 172.9 | 0 | 0 | 0 | 104.9 | I92 Q96 R98 L99 | I92-I94 HydrophobicContact CG2-CG1 4.07Å; I92-I94 PolarHBondContact O-N 2.89Å; I94-Q96 PolarHBondContact O-N 2.9Å; I94-R98 HydrophobicContact CG2-CB 3.83Å; I94-L99 HydrophobicContact CG2-CB 3.97Å | ||
| 95 | S | 57.9 | Low | 61.9 | Low | 80 Ų | 80 | 121.7 Ų | 121.7 | 56% | 0.559 | 65% | 0.651 | S | S | * | * | trans | -49.8 | 130.9 | 175.1 | 177.1 | 0 | 0 | 0 | 0 | 109.2 | V93 F97 R98 L99 | V93-S95 PolarHBondContact O-N 3.42Å; S95-F97 PolarHBondContact O-N 2.85Å; S95-R98 PolarHBondContact O-N 3.09Å; S95-L99 PolarHBondContact O-N 3.38Å | ||
| 96 | Q | 65.9 | Low | 64.6 | Low | 158 Ų | 158 | 121.6 Ų | 121.6 | 74% | 0.738 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -50.2 | -34.2 | -169.2 | -165.5 | 138.7 | -12.3 | 0 | 0 | 112.8 | I94 L99 E100 | I94-Q96 PolarHBondContact O-N 2.9Å; Q96-L99 PolarHBondContact O-N 2.91Å; Q96-E100 WeakPolarHBondContact O-CB 3.4Å; Q96-E100 PolarHBondContact O-N 3.11Å |
| 97 | F | 72.9 | Confident | 67.1 | Low | 152 Ų | 152 | 115.3 Ų | 115.3 | 67% | 0.667 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.6 | -43.4 | 174.3 | -173.8 | -97.7 | 0 | 0 | 0 | 114.2 | S95 E100 E101 | S95-F97 PolarHBondContact O-N 2.85Å; F97-E100 PolarHBondContact O-N 3.32Å; F97-E101 WeakPolarHBondContact O-CB 3.27Å; F97-E101 PolarHBondContact O-N 3.42Å |
| 98 | R | 77.6 | Confident | 69.9 | Low | 174 Ų | 174 | 114.2 Ų | 114.2 | 66% | 0.657 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71 | -31.9 | 176.8 | -83.2 | -160.1 | 179 | -178 | 1.8 | 112.6 | I94 S95 L102 | I94-R98 HydrophobicContact CG2-CB 3.83Å; S95-R98 PolarHBondContact O-N 3.09Å; R98-L102 WeakPolarHBondContact O-CB 3.48Å; R98-L102 VanDerWaalsContact O-CG 3.24Å; R98-L102 WeakPolarHBondContact O-CG 3.46Å; R98-L102 PolarHBondContact O-N 3Å |
| 99 | L | 78.9 | Confident | 72.7 | Confident | 90 Ų | 90 | 115 Ų | 115 | 47% | 0.471 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.3 | -41.2 | 175.4 | -173.3 | 65.8 | 0 | 0 | 0 | 110.5 | I94 S95 Q96 T103 | I94-L99 HydrophobicContact CG2-CB 3.97Å; S95-L99 PolarHBondContact O-N 3.38Å; Q96-L99 PolarHBondContact O-N 2.91Å; L99-T103 WeakPolarHBondContact O-CB 3.44Å; L99-T103 PolarHBondContact O-N 2.91Å; L99-T103 PolarHBondContact O-OG1 3.01Å |
| 100 | E | 82.4 | Confident | 75 | Confident | 120 Ų | 120 | 110.2 Ų | 110.2 | 56% | 0.561 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.7 | -39.6 | 178.5 | -161.2 | 154 | -157.2 | 0 | 0 | 112.2 | Q96 F97 T103 N104 | Q96-E100 WeakPolarHBondContact O-CB 3.4Å; Q96-E100 PolarHBondContact O-N 3.11Å; F97-E100 PolarHBondContact O-N 3.32Å; E100-T103 PolarHBondContact O-N 2.95Å; E100-N104 WeakPolarHBondContact O-CB 3.44Å; E100-N104 PolarHBondContact O-N 3.46Å; E100-N104 PolarHBondContact O-ND2 3.03Å |
| 101 | E | 86 | Confident | 77.7 | Confident | 118 Ų | 118 | 110.7 Ų | 110.7 | 55% | 0.551 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62 | -45.9 | 172.1 | -172.5 | -178.8 | -178.1 | 0 | 0 | 112.4 | F97 T103 N104 R105 | F97-E101 WeakPolarHBondContact O-CB 3.27Å; F97-E101 PolarHBondContact O-N 3.42Å; E101-T103 VanDerWaalsContact C-N 3.31Å; E101-T103 PolarHBondContact O-N 3.2Å; E101-N104 PolarHBondContact O-N 2.9Å; E101-R105 WeakPolarHBondContact O-CB 3.34Å; E101-R105 PolarHBondContact O-N 2.9Å |
| 102 | L | 86.4 | Confident | 80.1 | Confident | 106 Ų | 106 | 110.6 Ų | 110.6 | 56% | 0.555 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.2 | -36.3 | 175.1 | -73.9 | 170.6 | 0 | 0 | 0 | 111.9 | R98 R105 L106 | R98-L102 WeakPolarHBondContact O-CB 3.48Å; R98-L102 VanDerWaalsContact O-CG 3.24Å; R98-L102 WeakPolarHBondContact O-CG 3.46Å; R98-L102 PolarHBondContact O-N 3Å; L102-R105 PolarHBondContact O-N 2.92Å; L102-L106 VanDerWaalsContact O-CB 3.27Å; L102-L106 WeakPolarHBondContact O-CB 3.34Å; L102-L106 PolarHBondContact O-N 3.07Å |
| 103 | T | 86 | Confident | 82.4 | Confident | 80 Ų | 80 | 109.1 Ų | 109.1 | 49% | 0.491 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.4 | -44 | 176.3 | -57.2 | 0 | 0 | 0 | 0 | 111 | L99 E100 E101 L106 A107 | L99-T103 WeakPolarHBondContact O-CB 3.44Å; L99-T103 PolarHBondContact O-N 2.91Å; L99-T103 PolarHBondContact O-OG1 3.01Å; E100-T103 PolarHBondContact O-N 2.95Å; E101-T103 VanDerWaalsContact C-N 3.31Å; E101-T103 PolarHBondContact O-N 3.2Å; T103-L106 PolarHBondContact O-N 3.34Å; T103-A107 WeakPolarHBondContact O-CB 3.39Å; T103-A107 PolarHBondContact O-N 2.87Å |
| 104 | N | 89.7 | Confident | 84.5 | Confident | 107 Ų | 107 | 108.9 Ų | 108.9 | 57% | 0.572 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.6 | -40.3 | 175.5 | -75.8 | -37.6 | 0 | 0 | 0 | 112.3 | E100 E101 A107 S108 | E100-N104 WeakPolarHBondContact O-CB 3.44Å; E100-N104 PolarHBondContact O-N 3.46Å; E100-N104 PolarHBondContact O-ND2 3.03Å; E101-N104 PolarHBondContact O-N 2.9Å; N104-A107 PolarHBondContact O-N 3.26Å; N104-S108 WeakPolarHBondContact O-CB 3.27Å; N104-S108 PolarHBondContact O-N 2.86Å |
| 105 | R | 92.8 | Very high | 86.6 | Confident | 174 Ų | 174 | 108.1 Ų | 108.1 | 66% | 0.657 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.4 | -43.6 | 173.2 | -171.3 | 80.7 | -179.8 | -167.2 | 3.7 | 111.2 | E101 L102 S108 L109 | E101-R105 WeakPolarHBondContact O-CB 3.34Å; E101-R105 PolarHBondContact O-N 2.9Å; L102-R105 PolarHBondContact O-N 2.92Å; R105-S108 PolarHBondContact O-N 3.32Å; R105-L109 HydrophobicContact CG-CD1 4.17Å; R105-L109 WeakPolarHBondContact O-CB 3.4Å; R105-L109 VanDerWaalsContact O-CG 3.3Å; R105-L109 WeakPolarHBondContact O-CG 3.3Å; R105-L109 PolarHBondContact O-N 3.35Å |
| 106 | L | 90.2 | Very high | 88.4 | Confident | 101 Ų | 101 | 108.5 Ų | 108.5 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 178.8 | -169.7 | 138.2 | 0 | 0 | 0 | 111.7 | L102 T103 Q110 | L102-L106 VanDerWaalsContact O-CB 3.27Å; L102-L106 WeakPolarHBondContact O-CB 3.34Å; L102-L106 PolarHBondContact O-N 3.07Å; T103-L106 PolarHBondContact O-N 3.34Å; L106-Q110 HydrophobicContact CD2-CG 4.41Å; L106-Q110 WeakPolarHBondContact O-CB 3.43Å; L106-Q110 VanDerWaalsContact O-CG 3.27Å; L106-Q110 WeakPolarHBondContact O-CG 3.35Å; L106-Q110 PolarHBondContact O-N 2.83Å |
| 107 | A | 91.3 | Very high | 89.9 | Confident | 47 Ų | 47 | 107.5 Ų | 107.5 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T103 N104 Q110 Q111 | T103-A107 WeakPolarHBondContact O-CB 3.39Å; T103-A107 PolarHBondContact O-N 2.87Å; N104-A107 PolarHBondContact O-N 3.26Å; A107-Q110 PolarHBondContact O-N 3.16Å; A107-Q111 WeakPolarHBondContact O-CB 3.42Å; A107-Q111 PolarHBondContact O-N 3.46Å |
| 108 | S | 94.1 | Very high | 91 | Very high | 74 Ų | 74 | 105.6 Ų | 105.6 | 52% | 0.517 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 175.3 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | N104 R105 Q110 Q111 E112 | N104-S108 WeakPolarHBondContact O-CB 3.27Å; N104-S108 PolarHBondContact O-N 2.86Å; R105-S108 PolarHBondContact O-N 3.32Å; S108-Q110 VanDerWaalsContact C-N 3.32Å; S108-Q110 PolarHBondContact O-N 3.23Å; S108-Q111 PolarHBondContact O-N 3.46Å; S108-E112 WeakPolarHBondContact O-CB 3.4Å; S108-E112 PolarHBondContact O-N 2.97Å |
| 109 | L | 93.8 | Very high | 91.9 | Very high | 83 Ų | 83 | 101.6 Ų | 101.6 | 44% | 0.435 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -36.7 | 175.7 | -73.6 | 170.8 | 0 | 0 | 0 | 112 | R105 N113 | R105-L109 HydrophobicContact CG-CD1 4.17Å; R105-L109 WeakPolarHBondContact O-CB 3.4Å; R105-L109 VanDerWaalsContact O-CG 3.3Å; R105-L109 WeakPolarHBondContact O-CG 3.3Å; R105-L109 PolarHBondContact O-N 3.35Å; L109-N113 WeakPolarHBondContact O-CB 3.35Å; L109-N113 PolarHBondContact O-N 3.45Å |
| 110 | Q | 93.9 | Very high | 92.7 | Very high | 110 Ų | 110 | 101.9 Ų | 101.9 | 51% | 0.514 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 173.2 | -80.9 | 178.9 | -14.6 | 0 | 0 | 112.2 | L106 A107 S108 N113 K114 | L106-Q110 HydrophobicContact CD2-CG 4.41Å; L106-Q110 WeakPolarHBondContact O-CB 3.43Å; L106-Q110 VanDerWaalsContact O-CG 3.27Å; L106-Q110 WeakPolarHBondContact O-CG 3.35Å; L106-Q110 PolarHBondContact O-N 2.83Å; A107-Q110 PolarHBondContact O-N 3.16Å; S108-Q110 VanDerWaalsContact C-N 3.32Å; S108-Q110 PolarHBondContact O-N 3.23Å; Q110-N113 PolarHBondContact O-N 3.41Å; Q110-K114 WeakPolarHBondContact O-CG 3.44Å; Q110-K114 PolarHBondContact O-N 2.86Å |
| 111 | Q | 95.8 | Very high | 93.4 | Very high | 110 Ų | 110 | 100.7 Ų | 100.7 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 176 | -175.7 | 64.2 | 9.9 | 0 | 0 | 111.3 | A107 S108 N113 K114 V115 | A107-Q111 WeakPolarHBondContact O-CB 3.42Å; A107-Q111 PolarHBondContact O-N 3.46Å; S108-Q111 PolarHBondContact O-N 3.46Å; Q111-N113 VanDerWaalsContact C-N 3.33Å; Q111-N113 PolarHBondContact O-N 2.76Å; Q111-K114 WeakPolarHBondContact O-CB 3.38Å; Q111-K114 PolarHBondContact O-N 2.76Å; Q111-K114 VanDerWaalsContact O-N 3.09Å; Q111-V115 WeakPolarHBondContact O-CG2 3.42Å; Q111-V115 PolarHBondContact O-N 3.37Å |
| 112 | E | 94.5 | Very high | 94 | Very high | 105 Ų | 105 | 99 Ų | 99 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 173.2 | -172.6 | -178.4 | 173.7 | 0 | 0 | 110.9 | S108 K114 V115 L116 | S108-E112 WeakPolarHBondContact O-CB 3.4Å; S108-E112 PolarHBondContact O-N 2.97Å; E112-K114 VanDerWaalsContact C-N 3.28Å; E112-K114 PolarHBondContact O-N 3.47Å; E112-V115 PolarHBondContact O-N 2.95Å; E112-L116 HydrophobicContact CG-CD1 4.13Å; E112-L116 HydrophobicContact CG-CG 4.49Å; E112-L116 WeakPolarHBondContact O-CB 3.3Å; E112-L116 WeakPolarHBondContact O-CG 3.42Å; E112-L116 PolarHBondContact O-N 3.49Å |
| 113 | N | 94.1 | Very high | 94.5 | Very high | 95 Ų | 95 | 100.1 Ų | 100.1 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.5 | -36.2 | 174.3 | -125.3 | -84.5 | 0 | 0 | 0 | 112.8 | L109 Q110 Q111 K117 | L109-N113 WeakPolarHBondContact O-CB 3.35Å; L109-N113 PolarHBondContact O-N 3.45Å; Q110-N113 PolarHBondContact O-N 3.41Å; Q111-N113 VanDerWaalsContact C-N 3.33Å; Q111-N113 PolarHBondContact O-N 2.76Å; N113-K117 WeakPolarHBondContact O-CB 3.1Å; N113-K117 VanDerWaalsContact O-CG 3.3Å; N113-K117 WeakPolarHBondContact O-CG 3.36Å; N113-K117 PolarHBondContact O-N 3.38Å |
| 114 | K | 96.9 | Very high | 95.1 | Very high | 125 Ų | 125 | 101.1 Ų | 101.1 | 54% | 0.543 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.6 | -45.4 | 174.8 | -75.1 | 174.7 | -176.9 | 174.7 | 0 | 111.4 | Q110 Q111 E112 K117 I118 | Q110-K114 WeakPolarHBondContact O-CG 3.44Å; Q110-K114 PolarHBondContact O-N 2.86Å; Q111-K114 WeakPolarHBondContact O-CB 3.38Å; Q111-K114 PolarHBondContact O-N 2.76Å; Q111-K114 VanDerWaalsContact O-N 3.09Å; E112-K114 VanDerWaalsContact C-N 3.28Å; E112-K114 PolarHBondContact O-N 3.47Å; K114-K117 PolarHBondContact O-N 3.33Å; K114-I118 WeakPolarHBondContact O-CG1 3.23Å; K114-I118 PolarHBondContact O-N 3.3Å |
| 115 | V | 96.9 | Very high | 95.4 | Very high | 61 Ų | 61 | 101.6 Ų | 101.6 | 37% | 0.37 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -49.5 | 177.9 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | Q111 E112 K117 I118 E119 | Q111-V115 WeakPolarHBondContact O-CG2 3.42Å; Q111-V115 PolarHBondContact O-N 3.37Å; E112-V115 PolarHBondContact O-N 2.95Å; V115-K117 VanDerWaalsContact C-N 3.27Å; V115-K117 PolarHBondContact O-N 3.16Å; V115-I118 PolarHBondContact O-N 3.22Å; V115-E119 HydrophobicContact CG1-CG 4.36Å; V115-E119 WeakPolarHBondContact O-CG 3.41Å; V115-E119 PolarHBondContact O-N 3.32Å |
| 116 | L | 96.7 | Very high | 95.7 | Very high | 88 Ų | 88 | 99.5 Ų | 99.5 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58 | -37.5 | 176.9 | -72.4 | 172.3 | 0 | 0 | 0 | 112.5 | E112 L120 | E112-L116 HydrophobicContact CG-CD1 4.13Å; E112-L116 HydrophobicContact CG-CG 4.49Å; E112-L116 WeakPolarHBondContact O-CB 3.3Å; E112-L116 WeakPolarHBondContact O-CG 3.42Å; E112-L116 PolarHBondContact O-N 3.49Å; L116-L120 VanDerWaalsContact O-CB 3.23Å; L116-L120 WeakPolarHBondContact O-CB 3.38Å; L116-L120 PolarHBondContact O-N 3.35Å |
| 117 | K | 96.5 | Very high | 96 | Very high | 138 Ų | 138 | 98.1 Ų | 98.1 | 60% | 0.6 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.4 | -43.8 | 173.2 | -81.7 | 177.8 | -178.9 | -178.5 | 0 | 112.3 | N113 K114 V115 L120 E121 | N113-K117 WeakPolarHBondContact O-CB 3.1Å; N113-K117 VanDerWaalsContact O-CG 3.3Å; N113-K117 WeakPolarHBondContact O-CG 3.36Å; N113-K117 PolarHBondContact O-N 3.38Å; K114-K117 PolarHBondContact O-N 3.33Å; V115-K117 VanDerWaalsContact C-N 3.27Å; V115-K117 PolarHBondContact O-N 3.16Å; K117-L120 PolarHBondContact O-N 3.46Å; K117-E121 WeakPolarHBondContact O-CG 3.48Å; K117-E121 PolarHBondContact O-N 3.24Å |
| 118 | I | 97 | Very high | 96.3 | Very high | 111 Ų | 111 | 102.5 Ų | 102.5 | 57% | 0.569 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.5 | -43.2 | 178 | -67.3 | 165.6 | 0 | 0 | 0 | 110.6 | K114 V115 E121 T122 | K114-I118 WeakPolarHBondContact O-CG1 3.23Å; K114-I118 PolarHBondContact O-N 3.3Å; V115-I118 PolarHBondContact O-N 3.22Å; I118-E121 PolarHBondContact O-N 2.95Å; I118-T122 WeakPolarHBondContact O-CB 3.38Å; I118-T122 PolarHBondContact O-N 2.97Å; I118-T122 PolarHBondContact O-OG1 2.98Å |
| 119 | E | 96.4 | Very high | 96.4 | Very high | 91 Ų | 91 | 101.6 Ų | 101.6 | 43% | 0.425 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -45 | 176 | -71.3 | 176.7 | 175 | 0 | 0 | 111.4 | V115 E121 T122 F123 | V115-E119 HydrophobicContact CG1-CG 4.36Å; V115-E119 WeakPolarHBondContact O-CG 3.41Å; V115-E119 PolarHBondContact O-N 3.32Å; E119-E121 PolarHBondContact O-N 2.99Å; E119-T122 WeakPolarHBondContact O-CB 3.43Å; E119-T122 PolarHBondContact O-N 3.3Å; E119-T122 VanDerWaalsContact O-N 3.16Å; E119-F123 HydrophobicContact CB-CE2 4.39Å; E119-F123 WeakPolarHBondContact O-CD2 3.45Å; E119-F123 PolarHBondContact O-N 3.46Å |
| 120 | L | 96.3 | Very high | 96.6 | Very high | 95 Ų | 95 | 102 Ų | 102 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 176.7 | -175.8 | 134.6 | 0 | 0 | 0 | 112.2 | L116 K117 F123 K124 | L116-L120 VanDerWaalsContact O-CB 3.23Å; L116-L120 WeakPolarHBondContact O-CB 3.38Å; L116-L120 PolarHBondContact O-N 3.35Å; K117-L120 PolarHBondContact O-N 3.46Å; L120-F123 PolarHBondContact O-N 2.92Å; L120-K124 HydrophobicContact CD2-CD 4.17Å; L120-K124 VanDerWaalsContact CD2-CE 3.42Å; L120-K124 WeakPolarHBondContact O-CG 3.38Å; L120-K124 PolarHBondContact O-N 3.41Å |
| 121 | E | 97.2 | Very high | 96.8 | Very high | 96 Ų | 96 | 103.3 Ų | 103.3 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.8 | -37.4 | 173.7 | -70.5 | -55.2 | 129.5 | 0 | 0 | 112.3 | K117 I118 E119 K124 L125 | K117-E121 WeakPolarHBondContact O-CG 3.48Å; K117-E121 PolarHBondContact O-N 3.24Å; I118-E121 PolarHBondContact O-N 2.95Å; E119-E121 PolarHBondContact O-N 2.99Å; E121-K124 PolarHBondContact O-N 3.38Å; E121-K124 IonicContact OE1-NZ 2.76Å; E121-K124 PolarHBondContact OE1-NZ 2.91Å; E121-L125 WeakPolarHBondContact O-CG 3.49Å; E121-L125 PolarHBondContact O-N 3.25Å |
| 122 | T | 97.4 | Very high | 96.8 | Very high | 82 Ų | 82 | 104.1 Ų | 104.1 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 175.3 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | I118 E119 L125 K126 | I118-T122 WeakPolarHBondContact O-CB 3.38Å; I118-T122 PolarHBondContact O-N 2.97Å; I118-T122 PolarHBondContact O-OG1 2.98Å; E119-T122 WeakPolarHBondContact O-CB 3.43Å; E119-T122 PolarHBondContact O-N 3.3Å; E119-T122 VanDerWaalsContact O-N 3.16Å; T122-L125 PolarHBondContact O-N 2.97Å; T122-K126 PolarHBondContact O-N 3.23Å |
| 123 | F | 97.7 | Very high | 96.9 | Very high | 129 Ų | 129 | 104.5 Ų | 104.5 | 57% | 0.566 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.4 | -40 | 175.5 | -74.4 | -57.8 | 0 | 0 | 0 | 112 | E119 L120 L125 K126 C127 | E119-F123 HydrophobicContact CB-CE2 4.39Å; E119-F123 WeakPolarHBondContact O-CD2 3.45Å; E119-F123 PolarHBondContact O-N 3.46Å; L120-F123 PolarHBondContact O-N 2.92Å; F123-L125 PolarHBondContact O-N 3.38Å; F123-K126 PolarHBondContact O-N 3.06Å; F123-C127 PolarHBondContact O-N 3.02Å; F123-C127 PolarHBondContact O-SG 2.95Å; F123-C127 VanDerWaalsContact O-SG 3.34Å |
| 124 | K | 97.4 | Very high | 97.1 | Very high | 102 Ų | 102 | 103.9 Ų | 103.9 | 44% | 0.443 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 173.3 | -78.6 | 176.5 | -176.6 | 167.4 | 0 | 112.2 | L120 E121 K126 C127 K128 | L120-K124 HydrophobicContact CD2-CD 4.17Å; L120-K124 VanDerWaalsContact CD2-CE 3.42Å; L120-K124 WeakPolarHBondContact O-CG 3.38Å; L120-K124 PolarHBondContact O-N 3.41Å; E121-K124 PolarHBondContact O-N 3.38Å; E121-K124 IonicContact OE1-NZ 2.76Å; E121-K124 PolarHBondContact OE1-NZ 2.91Å; K124-K126 VanDerWaalsContact C-N 3.34Å; K124-C127 PolarHBondContact O-N 2.87Å; K124-K128 WeakPolarHBondContact O-CG 3.35Å; K124-K128 PolarHBondContact O-N 3.49Å |
| 125 | L | 97.6 | Very high | 97.1 | Very high | 116 Ų | 116 | 106 Ų | 106 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.1 | -42.9 | 176.2 | -73.7 | 170.8 | 0 | 0 | 0 | 111.3 | E121 T122 F123 C127 K128 A129 | E121-L125 WeakPolarHBondContact O-CG 3.49Å; E121-L125 PolarHBondContact O-N 3.25Å; T122-L125 PolarHBondContact O-N 2.97Å; F123-L125 PolarHBondContact O-N 3.38Å; L125-C127 PolarHBondContact O-N 3.11Å; L125-K128 PolarHBondContact O-N 3.43Å; L125-A129 PolarHBondContact O-N 2.83Å |
| 126 | K | 97.9 | Very high | 97.1 | Very high | 130 Ų | 130 | 106.6 Ų | 106.6 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.5 | -43.2 | 175.4 | -172.1 | 175.9 | -177.8 | 177.4 | 0 | 112.2 | T122 F123 K124 A129 L130 | T122-K126 PolarHBondContact O-N 3.23Å; F123-K126 PolarHBondContact O-N 3.06Å; K124-K126 VanDerWaalsContact C-N 3.34Å; K126-A129 PolarHBondContact O-N 3.42Å; K126-L130 HydrophobicContact CG-CD1 4.22Å; K126-L130 WeakPolarHBondContact O-CB 3.29Å; K126-L130 WeakPolarHBondContact O-CG 3.44Å; K126-L130 PolarHBondContact O-N 2.9Å |
| 127 | C | 97.3 | Very high | 97.2 | Very high | 73 Ų | 73 | 107.5 Ų | 107.5 | 49% | 0.493 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 175.2 | -71.2 | 0 | 0 | 0 | 0 | 111.8 | F123 K124 L125 L130 Q131 | F123-C127 PolarHBondContact O-N 3.02Å; F123-C127 PolarHBondContact O-SG 2.95Å; F123-C127 VanDerWaalsContact O-SG 3.34Å; K124-C127 PolarHBondContact O-N 2.87Å; L125-C127 PolarHBondContact O-N 3.11Å; C127-L130 PolarHBondContact O-N 3.32Å; C127-Q131 WeakPolarHBondContact O-CB 3.43Å; C127-Q131 VanDerWaalsContact O-CG 3.29Å; C127-Q131 WeakPolarHBondContact O-CG 3.41Å; C127-Q131 PolarHBondContact O-N 3.08Å |
| 128 | K | 97 | Very high | 97.2 | Very high | 139 Ų | 139 | 109 Ų | 109 | 60% | 0.604 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.2 | -45.8 | 175.5 | -74.4 | 179.7 | 178.2 | -177.5 | 0 | 112.1 | K124 L125 L130 Q131 E132 | K124-K128 WeakPolarHBondContact O-CG 3.35Å; K124-K128 PolarHBondContact O-N 3.49Å; L125-K128 PolarHBondContact O-N 3.43Å; K128-L130 PolarHBondContact O-N 3.43Å; K128-Q131 PolarHBondContact O-N 2.95Å; K128-E132 PolarHBondContact O-N 3.37Å |
| 129 | A | 96.8 | Very high | 97.2 | Very high | 55 Ų | 55 | 108.8 Ų | 108.8 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L125 K126 Q131 E132 E133 | L125-A129 PolarHBondContact O-N 2.83Å; K126-A129 PolarHBondContact O-N 3.42Å; A129-Q131 VanDerWaalsContact C-N 3.34Å; A129-Q131 PolarHBondContact O-N 2.87Å; A129-E132 PolarHBondContact O-N 3.39Å; A129-E133 WeakPolarHBondContact O-CB 3.27Å; A129-E133 PolarHBondContact O-N 3.09Å |
| 130 | L | 97.6 | Very high | 97.3 | Very high | 91 Ų | 91 | 106.6 Ų | 106.6 | 48% | 0.476 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.9 | -35.9 | 176.3 | -72.6 | 172.3 | 0 | 0 | 0 | 112.5 | K126 C127 K128 N134 | K126-L130 HydrophobicContact CG-CD1 4.22Å; K126-L130 WeakPolarHBondContact O-CB 3.29Å; K126-L130 WeakPolarHBondContact O-CG 3.44Å; K126-L130 PolarHBondContact O-N 2.9Å; C127-L130 PolarHBondContact O-N 3.32Å; K128-L130 PolarHBondContact O-N 3.43Å; L130-N134 WeakPolarHBondContact O-CB 3.38Å; L130-N134 PolarHBondContact O-N 3.45Å |
| 131 | Q | 97.2 | Very high | 97.4 | Very high | 137 Ų | 137 | 105.5 Ų | 105.5 | 64% | 0.64 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.2 | -41.9 | 175 | -78.8 | 174.5 | -13.4 | 0 | 0 | 112 | C127 K128 A129 N134 R135 | C127-Q131 WeakPolarHBondContact O-CB 3.43Å; C127-Q131 VanDerWaalsContact O-CG 3.29Å; C127-Q131 WeakPolarHBondContact O-CG 3.41Å; C127-Q131 PolarHBondContact O-N 3.08Å; K128-Q131 PolarHBondContact O-N 2.95Å; A129-Q131 VanDerWaalsContact C-N 3.34Å; A129-Q131 PolarHBondContact O-N 2.87Å; Q131-N134 PolarHBondContact O-N 3.22Å; Q131-R135 WeakPolarHBondContact O-CB 3.43Å; Q131-R135 PolarHBondContact O-N 3.48Å |
| 132 | E | 97.2 | Very high | 97.4 | Very high | 127 Ų | 127 | 105.6 Ų | 105.6 | 59% | 0.593 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.5 | -46.6 | 175.7 | -173 | 168.9 | -158.9 | 0 | 0 | 111.2 | K128 A129 N134 R135 D136 | K128-E132 PolarHBondContact O-N 3.37Å; A129-E132 PolarHBondContact O-N 3.39Å; E132-N134 VanDerWaalsContact C-N 3.33Å; E132-N134 PolarHBondContact O-N 2.99Å; E132-R135 WeakPolarHBondContact O-CB 3.3Å; E132-R135 PolarHBondContact O-N 2.99Å; E132-R135 VanDerWaalsContact O-N 3.11Å; E132-D136 PolarHBondContact O-N 3.26Å |
| 133 | E | 96.8 | Very high | 97.4 | Very high | 113 Ų | 113 | 105.2 Ų | 105.2 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 174.4 | -172.3 | -178.4 | -177.1 | 0 | 0 | 111.5 | A129 R135 D136 L137 | A129-E133 WeakPolarHBondContact O-CB 3.27Å; A129-E133 PolarHBondContact O-N 3.09Å; E133-R135 VanDerWaalsContact C-N 3.32Å; E133-R135 PolarHBondContact O-N 3.31Å; E133-D136 PolarHBondContact O-N 2.95Å; E133-L137 HydrophobicContact CG-CD1 4.25Å; E133-L137 HydrophobicContact CG-CG 4.47Å; E133-L137 WeakPolarHBondContact O-CB 3.4Å; E133-L137 VanDerWaalsContact O-CG 3.27Å; E133-L137 WeakPolarHBondContact O-CG 3.44Å; E133-L137 PolarHBondContact O-N 3Å |
| 134 | N | 96.6 | Very high | 97.4 | Very high | 83 Ų | 83 | 104.7 Ų | 104.7 | 44% | 0.444 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 176.4 | -144.9 | -81.1 | 0 | 0 | 0 | 111.7 | L130 Q131 E132 D136 R138 | L130-N134 WeakPolarHBondContact O-CB 3.38Å; L130-N134 PolarHBondContact O-N 3.45Å; Q131-N134 PolarHBondContact O-N 3.22Å; E132-N134 VanDerWaalsContact C-N 3.33Å; E132-N134 PolarHBondContact O-N 2.99Å; N134-D136 VanDerWaalsContact C-N 3.34Å; N134-R138 VanDerWaalsContact O-CG 3.3Å; N134-R138 WeakPolarHBondContact O-CG 3.39Å; N134-R138 PolarHBondContact O-N 2.92Å; N134-R138 PolarHBondContact OD1-NE 3.39Å |
| 135 | R | 97.5 | Very high | 97.4 | Very high | 170 Ų | 170 | 105 Ų | 105 | 64% | 0.642 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.4 | -41.6 | 175.8 | -174.3 | 179.2 | 179.4 | 152.7 | 0.2 | 111.1 | Q131 E132 E133 R138 K139 | Q131-R135 WeakPolarHBondContact O-CB 3.43Å; Q131-R135 PolarHBondContact O-N 3.48Å; E132-R135 WeakPolarHBondContact O-CB 3.3Å; E132-R135 PolarHBondContact O-N 2.99Å; E132-R135 VanDerWaalsContact O-N 3.11Å; E133-R135 VanDerWaalsContact C-N 3.32Å; E133-R135 PolarHBondContact O-N 3.31Å; R135-R138 PolarHBondContact O-N 3.32Å; R135-K139 WeakPolarHBondContact O-CG 3.34Å; R135-K139 PolarHBondContact O-N 3.41Å; R135-K139 VanDerWaalsContact O-N 3.08Å |
| 136 | D | 97.5 | Very high | 97.4 | Very high | 73 Ų | 73 | 102.1 Ų | 102.1 | 39% | 0.39 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.7 | -37.9 | 179.7 | -72.3 | -16.6 | 0 | 0 | 0 | 112.4 | E132 E133 N134 R138 K139 A140 | E132-D136 PolarHBondContact O-N 3.26Å; E133-D136 PolarHBondContact O-N 2.95Å; N134-D136 VanDerWaalsContact C-N 3.34Å; D136-R138 VanDerWaalsContact C-N 3.32Å; D136-R138 PolarHBondContact O-N 2.88Å; D136-K139 PolarHBondContact O-N 3.48Å; D136-K139 IonicContact OD1-NZ 2.88Å; D136-K139 PolarHBondContact OD1-NZ 3.06Å; D136-A140 WeakPolarHBondContact O-CB 3.43Å; D136-A140 PolarHBondContact O-N 2.83Å |
| 137 | L | 97.6 | Very high | 97.4 | Very high | 106 Ų | 106 | 103.7 Ų | 103.7 | 56% | 0.555 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.2 | -42.3 | 170.8 | -73.5 | 172.8 | 0 | 0 | 0 | 111.5 | E133 A140 S141 | E133-L137 HydrophobicContact CG-CD1 4.25Å; E133-L137 HydrophobicContact CG-CG 4.47Å; E133-L137 WeakPolarHBondContact O-CB 3.4Å; E133-L137 VanDerWaalsContact O-CG 3.27Å; E133-L137 WeakPolarHBondContact O-CG 3.44Å; E133-L137 PolarHBondContact O-N 3Å; L137-A140 PolarHBondContact O-N 2.92Å; L137-S141 WeakPolarHBondContact O-CB 3.31Å; L137-S141 PolarHBondContact O-N 3.39Å |
| 138 | R | 97.6 | Very high | 97.4 | Very high | 171 Ų | 171 | 102.2 Ų | 102.2 | 65% | 0.645 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.1 | -45.7 | 175.4 | -72.7 | 176.8 | -171.9 | -155.5 | -0.2 | 112 | N134 R135 D136 A140 S141 V142 | N134-R138 VanDerWaalsContact O-CG 3.3Å; N134-R138 WeakPolarHBondContact O-CG 3.39Å; N134-R138 PolarHBondContact O-N 2.92Å; N134-R138 PolarHBondContact OD1-NE 3.39Å; R135-R138 PolarHBondContact O-N 3.32Å; D136-R138 VanDerWaalsContact C-N 3.32Å; D136-R138 PolarHBondContact O-N 2.88Å; R138-A140 VanDerWaalsContact C-N 3.34Å; R138-A140 PolarHBondContact O-N 3.27Å; R138-S141 PolarHBondContact O-N 2.88Å; R138-V142 WeakPolarHBondContact O-CG2 3.44Å; R138-V142 PolarHBondContact O-N 2.93Å |
| 139 | K | 97.6 | Very high | 97.4 | Very high | 105 Ų | 105 | 100.2 Ų | 100.2 | 46% | 0.457 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 175.4 | -68.7 | 172.5 | -164.8 | 152.4 | 0 | 111.8 | R135 D136 S141 V142 T143 | R135-K139 WeakPolarHBondContact O-CG 3.34Å; R135-K139 PolarHBondContact O-N 3.41Å; R135-K139 VanDerWaalsContact O-N 3.08Å; D136-K139 PolarHBondContact O-N 3.48Å; D136-K139 IonicContact OD1-NZ 2.88Å; D136-K139 PolarHBondContact OD1-NZ 3.06Å; K139-S141 VanDerWaalsContact C-N 3.35Å; K139-V142 PolarHBondContact O-N 3.49Å; K139-T143 WeakPolarHBondContact O-CB 3.36Å; K139-T143 PolarHBondContact O-N 3.29Å; K139-T143 PolarHBondContact O-OG1 2.84Å |
| 140 | A | 97.6 | Very high | 97.5 | Very high | 45 Ų | 45 | 104.1 Ų | 104.1 | 37% | 0.372 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | D136 L137 R138 V142 T143 I144 | D136-A140 WeakPolarHBondContact O-CB 3.43Å; D136-A140 PolarHBondContact O-N 2.83Å; L137-A140 PolarHBondContact O-N 2.92Å; R138-A140 VanDerWaalsContact C-N 3.34Å; R138-A140 PolarHBondContact O-N 3.27Å; A140-V142 PolarHBondContact O-N 3.14Å; A140-T143 PolarHBondContact O-N 3.1Å; A140-I144 WeakPolarHBondContact O-CB 3.44Å; A140-I144 VanDerWaalsContact O-CG1 3.29Å; A140-I144 WeakPolarHBondContact O-CG1 3.29Å; A140-I144 PolarHBondContact O-N 2.81Å |
| 141 | S | 97.5 | Very high | 97.4 | Very high | 73 Ų | 73 | 105.6 Ų | 105.6 | 51% | 0.51 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59 | -47.2 | 176.4 | -168.1 | 0 | 0 | 0 | 0 | 112.2 | L137 R138 K139 T143 I144 Q145 | L137-S141 WeakPolarHBondContact O-CB 3.31Å; L137-S141 PolarHBondContact O-N 3.39Å; R138-S141 PolarHBondContact O-N 2.88Å; K139-S141 VanDerWaalsContact C-N 3.35Å; S141-T143 VanDerWaalsContact C-N 3.32Å; S141-T143 PolarHBondContact O-N 3.01Å; S141-I144 PolarHBondContact O-N 3.28Å; S141-Q145 WeakPolarHBondContact O-CB 3.5Å; S141-Q145 PolarHBondContact O-N 3.48Å |
| 142 | V | 98.1 | Very high | 97.4 | Very high | 97 Ų | 97 | 104.6 Ų | 104.6 | 59% | 0.588 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.6 | -40.9 | 177 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | R138 K139 A140 Q145 A146 | R138-V142 WeakPolarHBondContact O-CG2 3.44Å; R138-V142 PolarHBondContact O-N 2.93Å; K139-V142 PolarHBondContact O-N 3.49Å; A140-V142 PolarHBondContact O-N 3.14Å; V142-Q145 PolarHBondContact O-N 2.91Å; V142-A146 WeakPolarHBondContact O-CB 3.49Å; V142-A146 PolarHBondContact O-N 3.33Å |
| 143 | T | 97.6 | Very high | 97.5 | Very high | 75 Ų | 75 | 104.6 Ų | 104.6 | 46% | 0.46 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 179.2 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | K139 A140 S141 R147 | K139-T143 WeakPolarHBondContact O-CB 3.36Å; K139-T143 PolarHBondContact O-N 3.29Å; K139-T143 PolarHBondContact O-OG1 2.84Å; A140-T143 PolarHBondContact O-N 3.1Å; S141-T143 VanDerWaalsContact C-N 3.32Å; S141-T143 PolarHBondContact O-N 3.01Å; T143-R147 PolarHBondContact O-N 2.88Å; T143-R147 VanDerWaalsContact O-N 3.1Å |
| 144 | I | 97.8 | Very high | 97.5 | Very high | 117 Ų | 117 | 106 Ų | 106 | 60% | 0.6 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.5 | -43.6 | 177 | -69.2 | 166.6 | 0 | 0 | 0 | 109.9 | A140 S141 R147 A148 | A140-I144 WeakPolarHBondContact O-CB 3.44Å; A140-I144 VanDerWaalsContact O-CG1 3.29Å; A140-I144 WeakPolarHBondContact O-CG1 3.29Å; A140-I144 PolarHBondContact O-N 2.81Å; S141-I144 PolarHBondContact O-N 3.28Å; I144-R147 PolarHBondContact O-N 3.46Å; I144-A148 WeakPolarHBondContact O-CB 3.43Å; I144-A148 PolarHBondContact O-N 2.8Å |
| 145 | Q | 97.6 | Very high | 97.6 | Very high | 109 Ų | 109 | 106.5 Ų | 106.5 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 177.4 | -177.2 | 173.4 | -7.9 | 0 | 0 | 112 | S141 V142 R147 A148 E149 | S141-Q145 WeakPolarHBondContact O-CB 3.5Å; S141-Q145 PolarHBondContact O-N 3.48Å; V142-Q145 PolarHBondContact O-N 2.91Å; Q145-R147 VanDerWaalsContact C-N 3.28Å; Q145-R147 PolarHBondContact O-N 2.94Å; Q145-A148 PolarHBondContact O-N 3.36Å; Q145-A148 VanDerWaalsContact O-N 3.14Å; Q145-E149 WeakPolarHBondContact CG-OE1 3.48Å; Q145-E149 PolarHBondContact NE2-OE1 3.11Å; Q145-E149 WeakPolarHBondContact O-CG 3.4Å; Q145-E149 PolarHBondContact O-N 3.46Å |
| 146 | A | 97.9 | Very high | 97.6 | Very high | 55 Ų | 55 | 101.8 Ų | 101.8 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.8 | -37.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V142 Q150 | V142-A146 WeakPolarHBondContact O-CB 3.49Å; V142-A146 PolarHBondContact O-N 3.33Å; A146-Q150 WeakPolarHBondContact O-CB 3.49Å; A146-Q150 PolarHBondContact O-N 3.13Å; A146-Q150 VanDerWaalsContact O-N 3.11Å |
| 147 | R | 97.3 | Very high | 97.7 | Very high | 164 Ų | 164 | 102.7 Ų | 102.7 | 62% | 0.619 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.7 | -43 | 173.6 | -75.7 | -171.9 | -176.5 | -166.1 | 2.2 | 112.3 | T143 I144 Q145 E149 Q150 E151 | T143-R147 PolarHBondContact O-N 2.88Å; T143-R147 VanDerWaalsContact O-N 3.1Å; I144-R147 PolarHBondContact O-N 3.46Å; Q145-R147 VanDerWaalsContact C-N 3.28Å; Q145-R147 PolarHBondContact O-N 2.94Å; R147-E149 VanDerWaalsContact C-N 3.34Å; R147-E149 PolarHBondContact O-N 3.3Å; R147-Q150 PolarHBondContact O-N 2.88Å; R147-E151 WeakPolarHBondContact O-CG 3.45Å; R147-E151 PolarHBondContact O-N 2.87Å |
| 148 | A | 97.8 | Very high | 97.7 | Very high | 42 Ų | 42 | 100.9 Ų | 100.9 | 35% | 0.347 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I144 Q145 Q150 E151 E152 | I144-A148 WeakPolarHBondContact O-CB 3.43Å; I144-A148 PolarHBondContact O-N 2.8Å; Q145-A148 PolarHBondContact O-N 3.36Å; Q145-A148 VanDerWaalsContact O-N 3.14Å; A148-Q150 PolarHBondContact O-N 3.25Å; A148-E151 PolarHBondContact O-N 3.49Å; A148-E152 WeakPolarHBondContact O-CB 3.2Å; A148-E152 WeakPolarHBondContact O-CG 3.42Å; A148-E152 PolarHBondContact O-N 2.92Å |
| 149 | E | 96.6 | Very high | 97.8 | Very high | 97 Ų | 97 | 97.4 Ų | 97.4 | 45% | 0.453 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 176.3 | -71.5 | 171.7 | -173.3 | 0 | 0 | 111.6 | Q145 R147 E151 E152 E153 | Q145-E149 WeakPolarHBondContact CG-OE1 3.48Å; Q145-E149 PolarHBondContact NE2-OE1 3.11Å; Q145-E149 WeakPolarHBondContact O-CG 3.4Å; Q145-E149 PolarHBondContact O-N 3.46Å; R147-E149 VanDerWaalsContact C-N 3.34Å; R147-E149 PolarHBondContact O-N 3.3Å; E149-E151 PolarHBondContact O-N 3.42Å; E149-E152 PolarHBondContact O-N 2.96Å; E149-E153 WeakPolarHBondContact O-CG 3.24Å; E149-E153 PolarHBondContact O-N 2.81Å |
| 150 | Q | 98.1 | Very high | 97.8 | Very high | 136 Ų | 136 | 98 Ų | 98 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.6 | -41.7 | 176 | -174.7 | -178.5 | 7.5 | 0 | 0 | 112.7 | A146 R147 A148 E153 F154 | A146-Q150 WeakPolarHBondContact O-CB 3.49Å; A146-Q150 PolarHBondContact O-N 3.13Å; A146-Q150 VanDerWaalsContact O-N 3.11Å; R147-Q150 PolarHBondContact O-N 2.88Å; A148-Q150 PolarHBondContact O-N 3.25Å; Q150-E153 PolarHBondContact O-N 3.5Å; Q150-F154 WeakPolarHBondContact O-CB 3.4Å; Q150-F154 PolarHBondContact O-N 3.33Å |
| 151 | E | 96.9 | Very high | 97.9 | Very high | 122 Ų | 122 | 102.8 Ų | 102.8 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.2 | -42.5 | 177.1 | -75.2 | 178.1 | -168 | 0 | 0 | 111.3 | R147 A148 E149 E153 F154 I155 | R147-E151 WeakPolarHBondContact O-CG 3.45Å; R147-E151 PolarHBondContact O-N 2.87Å; A148-E151 PolarHBondContact O-N 3.49Å; E149-E151 PolarHBondContact O-N 3.42Å; E151-E153 PolarHBondContact O-N 3.41Å; E151-F154 PolarHBondContact O-N 2.88Å; E151-I155 WeakPolarHBondContact O-CB 3.38Å; E151-I155 VanDerWaalsContact O-CG1 3.23Å; E151-I155 WeakPolarHBondContact O-CG1 3.48Å; E151-I155 PolarHBondContact O-N 3.2Å |
| 152 | E | 97.3 | Very high | 97.9 | Very high | 116 Ų | 116 | 106 Ų | 106 | 54% | 0.542 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 174.8 | -77.4 | -174.6 | 176.1 | 0 | 0 | 112 | A148 E149 S156 | A148-E152 WeakPolarHBondContact O-CB 3.2Å; A148-E152 WeakPolarHBondContact O-CG 3.42Å; A148-E152 PolarHBondContact O-N 2.92Å; E149-E152 PolarHBondContact O-N 2.96Å; E152-S156 WeakPolarHBondContact O-CB 3.23Å; E152-S156 PolarHBondContact O-N 3.43Å; E152-S156 PolarHBondContact O-OG 2.94Å |
| 153 | E | 97.6 | Very high | 97.9 | Very high | 128 Ų | 128 | 105.6 Ų | 105.6 | 60% | 0.598 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.7 | -42.6 | 174.6 | -75.2 | -177 | 178.1 | 0 | 0 | 111.7 | E149 Q150 E151 S156 N157 | E149-E153 WeakPolarHBondContact O-CG 3.24Å; E149-E153 PolarHBondContact O-N 2.81Å; Q150-E153 PolarHBondContact O-N 3.5Å; E151-E153 PolarHBondContact O-N 3.41Å; E153-S156 PolarHBondContact O-N 3.32Å; E153-N157 VanDerWaalsContact O-CB 3.24Å; E153-N157 WeakPolarHBondContact O-CB 3.19Å; E153-N157 VanDerWaalsContact O-CG 3.23Å; E153-N157 PolarHBondContact O-N 2.84Å; E153-N157 PolarHBondContact O-ND2 2.93Å |
| 154 | F | 98.3 | Very high | 98 | Very high | 142 Ų | 142 | 106.5 Ų | 106.5 | 62% | 0.623 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.7 | -45.8 | 178.5 | 177.3 | -98.8 | 0 | 0 | 0 | 112 | Q150 E151 T158 | Q150-F154 WeakPolarHBondContact O-CB 3.4Å; Q150-F154 PolarHBondContact O-N 3.33Å; E151-F154 PolarHBondContact O-N 2.88Å; F154-T158 WeakPolarHBondContact O-CB 3.37Å; F154-T158 PolarHBondContact O-N 3.4Å; F154-T158 PolarHBondContact O-OG1 3.43Å |
| 155 | I | 98.3 | Very high | 98 | Very high | 93 Ų | 93 | 103.8 Ų | 103.8 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.4 | -48.1 | 177.3 | -67.4 | 165.5 | 0 | 0 | 0 | 109.6 | E151 N157 T158 L159 | E151-I155 WeakPolarHBondContact O-CB 3.38Å; E151-I155 VanDerWaalsContact O-CG1 3.23Å; E151-I155 WeakPolarHBondContact O-CG1 3.48Å; E151-I155 PolarHBondContact O-N 3.2Å; I155-N157 PolarHBondContact O-N 3.44Å; I155-T158 PolarHBondContact O-N 2.89Å; I155-L159 HydrophobicContact CG2-CD1 3.83Å; I155-L159 HydrophobicContact CG2-CG 4.28Å; I155-L159 WeakPolarHBondContact O-CB 3.5Å; I155-L159 WeakPolarHBondContact O-CG 3.26Å; I155-L159 PolarHBondContact O-N 2.94Å |
| 156 | S | 98 | Very high | 98.1 | Very high | 72 Ų | 72 | 103.1 Ų | 103.1 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59 | -47.4 | 179.3 | -65.1 | 0 | 0 | 0 | 0 | 111.8 | E152 E153 T158 L159 F160 | E152-S156 WeakPolarHBondContact O-CB 3.23Å; E152-S156 PolarHBondContact O-N 3.43Å; E152-S156 PolarHBondContact O-OG 2.94Å; E153-S156 PolarHBondContact O-N 3.32Å; S156-T158 VanDerWaalsContact C-N 3.32Å; S156-T158 PolarHBondContact O-N 3.46Å; S156-L159 PolarHBondContact O-N 2.85Å; S156-F160 WeakPolarHBondContact O-CB 3.41Å; S156-F160 PolarHBondContact O-N 3.29Å |
| 157 | N | 98.4 | Very high | 98.1 | Very high | 91 Ų | 91 | 106.1 Ų | 106.1 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 178 | -78.1 | -42.6 | 0 | 0 | 0 | 112.4 | E153 I155 K161 | E153-N157 VanDerWaalsContact O-CB 3.24Å; E153-N157 WeakPolarHBondContact O-CB 3.19Å; E153-N157 VanDerWaalsContact O-CG 3.23Å; E153-N157 PolarHBondContact O-N 2.84Å; E153-N157 PolarHBondContact O-ND2 2.93Å; I155-N157 PolarHBondContact O-N 3.44Å; N157-K161 VanDerWaalsContact O-CG 3.27Å; N157-K161 WeakPolarHBondContact O-CG 3.29Å; N157-K161 PolarHBondContact O-N 3.07Å; N157-K161 VanDerWaalsContact O-N 3.1Å |
| 158 | T | 98.6 | Very high | 98.2 | Very high | 69 Ų | 69 | 105.3 Ų | 105.3 | 42% | 0.423 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69 | -47 | 178.6 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | F154 I155 S156 K161 K162 | F154-T158 WeakPolarHBondContact O-CB 3.37Å; F154-T158 PolarHBondContact O-N 3.4Å; F154-T158 PolarHBondContact O-OG1 3.43Å; I155-T158 PolarHBondContact O-N 2.89Å; S156-T158 VanDerWaalsContact C-N 3.32Å; S156-T158 PolarHBondContact O-N 3.46Å; T158-K161 PolarHBondContact O-N 2.79Å; T158-K162 PolarHBondContact O-N 3.47Å; T158-K162 VanDerWaalsContact O-N 3.07Å |
| 159 | L | 98.4 | Very high | 98.2 | Very high | 98 Ų | 98 | 108.6 Ų | 108.6 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 177.4 | -69.2 | 177.6 | 0 | 0 | 0 | 111.3 | I155 S156 K161 K162 I163 | I155-L159 HydrophobicContact CG2-CD1 3.83Å; I155-L159 HydrophobicContact CG2-CG 4.28Å; I155-L159 WeakPolarHBondContact O-CB 3.5Å; I155-L159 WeakPolarHBondContact O-CG 3.26Å; I155-L159 PolarHBondContact O-N 2.94Å; S156-L159 PolarHBondContact O-N 2.85Å; L159-K161 PolarHBondContact O-N 3Å; L159-K162 PolarHBondContact O-N 3.1Å; L159-K162 VanDerWaalsContact O-N 3.16Å; L159-I163 VanDerWaalsContact O-CG1 3.29Å; L159-I163 WeakPolarHBondContact O-CG1 3.27Å; L159-I163 PolarHBondContact O-N 2.99Å |
| 160 | F | 98.6 | Very high | 98.3 | Very high | 118 Ų | 118 | 111.6 Ų | 111.6 | 52% | 0.518 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60 | -46.3 | 177.6 | -174.1 | -108.2 | 0 | 0 | 0 | 112.1 | S156 K162 I163 Q164 | S156-F160 WeakPolarHBondContact O-CB 3.41Å; S156-F160 PolarHBondContact O-N 3.29Å; F160-K162 VanDerWaalsContact C-N 3.31Å; F160-K162 PolarHBondContact O-N 3.16Å; F160-I163 PolarHBondContact O-N 2.95Å; F160-Q164 HydrophobicContact CE1-CG 4.33Å; F160-Q164 HydrophobicContact CZ-CG 4.42Å; F160-Q164 WeakPolarHBondContact O-CG 3.43Å; F160-Q164 PolarHBondContact O-N 3.42Å |
| 161 | K | 98.7 | Very high | 98.3 | Very high | 145 Ų | 145 | 111.5 Ų | 111.5 | 63% | 0.63 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.7 | -41.1 | 174.2 | -73.7 | 172.3 | -176.4 | 177.1 | 0 | 112.1 | N157 T158 L159 Q164 A165 | N157-K161 VanDerWaalsContact O-CG 3.27Å; N157-K161 WeakPolarHBondContact O-CG 3.29Å; N157-K161 PolarHBondContact O-N 3.07Å; N157-K161 VanDerWaalsContact O-N 3.1Å; T158-K161 PolarHBondContact O-N 2.79Å; L159-K161 PolarHBondContact O-N 3Å; K161-Q164 PolarHBondContact O-N 2.94Å; K161-A165 WeakPolarHBondContact O-CB 3.34Å; K161-A165 PolarHBondContact O-N 3.43Å |
| 162 | K | 98.7 | Very high | 98.4 | Very high | 140 Ų | 140 | 109 Ų | 109 | 61% | 0.609 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.5 | -40.5 | 178.6 | -166.8 | 167.2 | -175.6 | 176.3 | 0 | 112 | T158 L159 F160 A165 L166 | T158-K162 PolarHBondContact O-N 3.47Å; T158-K162 VanDerWaalsContact O-N 3.07Å; L159-K162 PolarHBondContact O-N 3.1Å; L159-K162 VanDerWaalsContact O-N 3.16Å; F160-K162 VanDerWaalsContact C-N 3.31Å; F160-K162 PolarHBondContact O-N 3.16Å; K162-A165 PolarHBondContact O-N 2.93Å; K162-L166 HydrophobicContact CG-CD1 4.31Å; K162-L166 WeakPolarHBondContact O-CB 3.47Å; K162-L166 VanDerWaalsContact O-CG 3.31Å; K162-L166 WeakPolarHBondContact O-CG 3.31Å; K162-L166 PolarHBondContact O-N 3.37Å |
| 163 | I | 98.5 | Very high | 98.4 | Very high | 88 Ų | 88 | 107.4 Ų | 107.4 | 45% | 0.451 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 174.4 | -70.6 | 164.6 | 0 | 0 | 0 | 110.2 | L159 F160 A165 L166 Q167 | L159-I163 VanDerWaalsContact O-CG1 3.29Å; L159-I163 WeakPolarHBondContact O-CG1 3.27Å; L159-I163 PolarHBondContact O-N 2.99Å; F160-I163 PolarHBondContact O-N 2.95Å; I163-A165 PolarHBondContact O-N 3.08Å; I163-L166 PolarHBondContact O-N 3.09Å; I163-Q167 HydrophobicContact CG2-CG 4.32Å; I163-Q167 WeakPolarHBondContact O-CB 3.43Å; I163-Q167 VanDerWaalsContact O-CG 3.26Å; I163-Q167 WeakPolarHBondContact O-CG 3.5Å; I163-Q167 PolarHBondContact O-N 3.47Å |
| 164 | Q | 98.6 | Very high | 98.5 | Very high | 95 Ų | 95 | 103.4 Ų | 103.4 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 177.6 | -73.7 | -172.9 | -15.5 | 0 | 0 | 112.5 | F160 K161 Q167 K168 | F160-Q164 HydrophobicContact CE1-CG 4.33Å; F160-Q164 HydrophobicContact CZ-CG 4.42Å; F160-Q164 WeakPolarHBondContact O-CG 3.43Å; F160-Q164 PolarHBondContact O-N 3.42Å; K161-Q164 PolarHBondContact O-N 2.94Å; Q164-Q167 PolarHBondContact O-N 2.89Å; Q164-K168 WeakPolarHBondContact O-CB 3.43Å; Q164-K168 PolarHBondContact O-N 2.89Å |
| 165 | A | 98.4 | Very high | 98.5 | Very high | 59 Ų | 59 | 99.3 Ų | 99.3 | 49% | 0.488 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | K161 K162 I163 Q167 K168 E169 | K161-A165 WeakPolarHBondContact O-CB 3.34Å; K161-A165 PolarHBondContact O-N 3.43Å; K162-A165 PolarHBondContact O-N 2.93Å; I163-A165 PolarHBondContact O-N 3.08Å; A165-Q167 VanDerWaalsContact C-N 3.35Å; A165-Q167 PolarHBondContact O-N 3.5Å; A165-K168 PolarHBondContact O-N 3.29Å; A165-E169 WeakPolarHBondContact O-CB 3.48Å; A165-E169 PolarHBondContact O-N 3.33Å |
| 166 | L | 98.7 | Very high | 98.5 | Very high | 96 Ų | 96 | 98.7 Ų | 98.7 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.6 | -37.3 | 177 | -71.5 | 170.9 | 0 | 0 | 0 | 112.4 | K162 I163 E169 K170 | K162-L166 HydrophobicContact CG-CD1 4.31Å; K162-L166 WeakPolarHBondContact O-CB 3.47Å; K162-L166 VanDerWaalsContact O-CG 3.31Å; K162-L166 WeakPolarHBondContact O-CG 3.31Å; K162-L166 PolarHBondContact O-N 3.37Å; I163-L166 PolarHBondContact O-N 3.09Å; L166-E169 PolarHBondContact O-N 2.98Å; L166-K170 VanDerWaalsContact O-CB 3.27Å; L166-K170 WeakPolarHBondContact O-CB 3.38Å; L166-K170 PolarHBondContact O-N 2.95Å |
| 167 | Q | 98.7 | Very high | 98.5 | Very high | 118 Ų | 118 | 102.2 Ų | 102.2 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.1 | -45.3 | 174.5 | -77.2 | 173.1 | -18.9 | 0 | 0 | 111.4 | I163 Q164 A165 K170 E171 | I163-Q167 HydrophobicContact CG2-CG 4.32Å; I163-Q167 WeakPolarHBondContact O-CB 3.43Å; I163-Q167 VanDerWaalsContact O-CG 3.26Å; I163-Q167 WeakPolarHBondContact O-CG 3.5Å; I163-Q167 PolarHBondContact O-N 3.47Å; Q164-Q167 PolarHBondContact O-N 2.89Å; A165-Q167 VanDerWaalsContact C-N 3.35Å; A165-Q167 PolarHBondContact O-N 3.5Å; Q167-K170 PolarHBondContact O-N 3Å; Q167-E171 WeakPolarHBondContact O-CB 3.27Å; Q167-E171 PolarHBondContact O-N 3.03Å |
| 168 | K | 98.6 | Very high | 98.5 | Very high | 146 Ų | 146 | 103.5 Ų | 103.5 | 64% | 0.635 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.1 | -41.7 | 177.2 | -174.7 | -179.6 | -179.9 | -178.6 | 0 | 112.2 | Q164 A165 E171 T172 | Q164-K168 WeakPolarHBondContact O-CB 3.43Å; Q164-K168 PolarHBondContact O-N 2.89Å; A165-K168 PolarHBondContact O-N 3.29Å; K168-E171 PolarHBondContact O-N 3.21Å; K168-T172 WeakPolarHBondContact O-CB 3.44Å; K168-T172 PolarHBondContact O-N 2.93Å; K168-T172 PolarHBondContact O-OG1 3.48Å |
| 169 | E | 98.3 | Very high | 98.5 | Very high | 112 Ų | 112 | 106 Ų | 106 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 175.9 | -173.1 | -179.5 | 176.9 | 0 | 0 | 110.8 | A165 L166 E171 T172 L173 | A165-E169 WeakPolarHBondContact O-CB 3.48Å; A165-E169 PolarHBondContact O-N 3.33Å; L166-E169 PolarHBondContact O-N 2.98Å; E169-E171 PolarHBondContact O-N 2.99Å; E169-T172 PolarHBondContact O-N 3.39Å; E169-L173 HydrophobicContact CG-CD1 4.24Å; E169-L173 WeakPolarHBondContact O-CB 3.45Å; E169-L173 WeakPolarHBondContact O-CG 3.46Å; E169-L173 PolarHBondContact O-N 3.38Å |
| 170 | K | 98.6 | Very high | 98.4 | Very high | 160 Ų | 160 | 107.6 Ų | 107.6 | 70% | 0.696 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.7 | -46.4 | 174.8 | -179 | -173.7 | 174 | -174.5 | 0 | 112.1 | L166 Q167 L173 A174 | L166-K170 VanDerWaalsContact O-CB 3.27Å; L166-K170 WeakPolarHBondContact O-CB 3.38Å; L166-K170 PolarHBondContact O-N 2.95Å; Q167-K170 PolarHBondContact O-N 3Å; K170-L173 PolarHBondContact O-N 2.75Å; K170-A174 WeakPolarHBondContact O-CB 3.44Å; K170-A174 PolarHBondContact O-N 2.9Å |
| 171 | E | 98.4 | Very high | 98.4 | Very high | 134 Ų | 134 | 108.4 Ų | 108.4 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.5 | -43.5 | 177 | -175.5 | -180 | -174.9 | 0 | 0 | 111.3 | Q167 K168 E169 L173 A174 V175 | Q167-E171 WeakPolarHBondContact O-CB 3.27Å; Q167-E171 PolarHBondContact O-N 3.03Å; K168-E171 PolarHBondContact O-N 3.21Å; E169-E171 PolarHBondContact O-N 2.99Å; E171-L173 PolarHBondContact O-N 3.28Å; E171-A174 PolarHBondContact O-N 3.3Å; E171-V175 WeakPolarHBondContact O-CG2 3.39Å; E171-V175 PolarHBondContact O-N 2.91Å |
| 172 | T | 98.4 | Very high | 98.4 | Very high | 70 Ų | 70 | 107.5 Ų | 107.5 | 43% | 0.429 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -44 | 177.4 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | K168 E169 V175 N176 | K168-T172 WeakPolarHBondContact O-CB 3.44Å; K168-T172 PolarHBondContact O-N 2.93Å; K168-T172 PolarHBondContact O-OG1 3.48Å; E169-T172 PolarHBondContact O-N 3.39Å; T172-V175 PolarHBondContact O-N 3.39Å; T172-N176 WeakPolarHBondContact O-CB 3.38Å; T172-N176 VanDerWaalsContact O-CG 3.24Å; T172-N176 PolarHBondContact O-N 2.83Å; T172-N176 PolarHBondContact O-ND2 3.2Å |
| 173 | L | 98.6 | Very high | 98.3 | Very high | 82 Ų | 82 | 107 Ų | 107 | 43% | 0.429 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 175.4 | -76.4 | 170.2 | 0 | 0 | 0 | 110.9 | E169 K170 E171 V175 N176 Y177 | E169-L173 HydrophobicContact CG-CD1 4.24Å; E169-L173 WeakPolarHBondContact O-CB 3.45Å; E169-L173 WeakPolarHBondContact O-CG 3.46Å; E169-L173 PolarHBondContact O-N 3.38Å; K170-L173 PolarHBondContact O-N 2.75Å; E171-L173 PolarHBondContact O-N 3.28Å; L173-V175 VanDerWaalsContact C-N 3.34Å; L173-V175 PolarHBondContact O-N 2.88Å; L173-N176 PolarHBondContact O-N 3.4Å; L173-N176 VanDerWaalsContact O-N 3.13Å; L173-Y177 HydrophobicContact CB-CD2 4.44Å; L173-Y177 HydrophobicContact CB-CE2 4.41Å; L173-Y177 WeakPolarHBondContact O-CD2 3.45Å; L173-Y177 PolarHBondContact O-N 3.13Å |
| 174 | A | 98.5 | Very high | 98.3 | Very high | 44 Ų | 44 | 107.7 Ų | 107.7 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56 | -48 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | K170 E171 N176 Y177 E178 | K170-A174 WeakPolarHBondContact O-CB 3.44Å; K170-A174 PolarHBondContact O-N 2.9Å; E171-A174 PolarHBondContact O-N 3.3Å; A174-N176 VanDerWaalsContact C-N 3.33Å; A174-N176 PolarHBondContact O-N 3.13Å; A174-Y177 PolarHBondContact O-N 3.47Å; A174-E178 WeakPolarHBondContact O-CG 3.49Å; A174-E178 PolarHBondContact O-N 3.5Å |
| 175 | V | 98.4 | Very high | 98.3 | Very high | 55 Ų | 55 | 107.1 Ų | 107.1 | 33% | 0.333 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.4 | -37.2 | 177.4 | 171.7 | 0 | 0 | 0 | 0 | 112.2 | E171 T172 L173 K179 | E171-V175 WeakPolarHBondContact O-CG2 3.39Å; E171-V175 PolarHBondContact O-N 2.91Å; T172-V175 PolarHBondContact O-N 3.39Å; L173-V175 VanDerWaalsContact C-N 3.34Å; L173-V175 PolarHBondContact O-N 2.88Å; V175-K179 HydrophobicContact CG1-CD 4.17Å; V175-K179 VanDerWaalsContact O-CG 3.3Å; V175-K179 WeakPolarHBondContact O-CG 3.13Å; V175-K179 PolarHBondContact O-N 2.96Å; V175-K179 VanDerWaalsContact O-N 3.13Å |
| 176 | N | 98.1 | Very high | 98.3 | Very high | 80 Ų | 80 | 108.2 Ų | 108.2 | 43% | 0.428 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.7 | -41 | 177.1 | -72.4 | -13.4 | 0 | 0 | 0 | 111.8 | T172 L173 A174 K179 E180 | T172-N176 WeakPolarHBondContact O-CB 3.38Å; T172-N176 VanDerWaalsContact O-CG 3.24Å; T172-N176 PolarHBondContact O-N 2.83Å; T172-N176 PolarHBondContact O-ND2 3.2Å; L173-N176 PolarHBondContact O-N 3.4Å; L173-N176 VanDerWaalsContact O-N 3.13Å; A174-N176 VanDerWaalsContact C-N 3.33Å; A174-N176 PolarHBondContact O-N 3.13Å; N176-K179 PolarHBondContact O-N 3.49Å; N176-E180 WeakPolarHBondContact O-CB 3.47Å; N176-E180 PolarHBondContact O-N 3.25Å |
| 177 | Y | 98.6 | Very high | 98.3 | Very high | 147 Ų | 147 | 106.4 Ų | 106.4 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.7 | -47.1 | 174.4 | -83.8 | -68.8 | 0 | 0 | 0 | 111.5 | L173 A174 K179 E180 E181 | L173-Y177 HydrophobicContact CB-CD2 4.44Å; L173-Y177 HydrophobicContact CB-CE2 4.41Å; L173-Y177 WeakPolarHBondContact O-CD2 3.45Å; L173-Y177 PolarHBondContact O-N 3.13Å; A174-Y177 PolarHBondContact O-N 3.47Å; Y177-K179 VanDerWaalsContact C-N 3.32Å; Y177-K179 PolarHBondContact O-N 2.94Å; Y177-E180 PolarHBondContact O-N 2.98Å; Y177-E181 WeakPolarHBondContact O-CG 3.4Å; Y177-E181 PolarHBondContact O-N 3.44Å |
| 178 | E | 97.8 | Very high | 98.3 | Very high | 117 Ų | 117 | 105.8 Ų | 105.8 | 55% | 0.547 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.2 | -45.4 | 176.6 | -73.3 | 172.8 | -177.5 | 0 | 0 | 111.6 | A174 E180 E181 E182 | A174-E178 WeakPolarHBondContact O-CG 3.49Å; A174-E178 PolarHBondContact O-N 3.5Å; E178-E180 PolarHBondContact O-N 3.11Å; E178-E181 PolarHBondContact O-N 3.06Å; E178-E182 WeakPolarHBondContact O-CB 3.35Å; E178-E182 WeakPolarHBondContact O-CG 3.48Å; E178-E182 PolarHBondContact O-N 3.25Å |
| 179 | K | 98.1 | Very high | 98.2 | Very high | 122 Ų | 122 | 101.9 Ų | 101.9 | 53% | 0.53 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 177.3 | -74.3 | 169.3 | -179.8 | 170.9 | 0 | 113.2 | V175 N176 Y177 F183 | V175-K179 HydrophobicContact CG1-CD 4.17Å; V175-K179 VanDerWaalsContact O-CG 3.3Å; V175-K179 WeakPolarHBondContact O-CG 3.13Å; V175-K179 PolarHBondContact O-N 2.96Å; V175-K179 VanDerWaalsContact O-N 3.13Å; N176-K179 PolarHBondContact O-N 3.49Å; Y177-K179 VanDerWaalsContact C-N 3.32Å; Y177-K179 PolarHBondContact O-N 2.94Å; K179-F183 WeakPolarHBondContact O-CB 3.3Å; K179-F183 PolarHBondContact O-N 3.5Å |
| 180 | E | 98 | Very high | 98.2 | Very high | 131 Ų | 131 | 102.8 Ų | 102.8 | 61% | 0.612 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.1 | -40.6 | 179 | -172.4 | 167.8 | -165.4 | 0 | 0 | 111.2 | N176 Y177 E178 F183 L184 | N176-E180 WeakPolarHBondContact O-CB 3.47Å; N176-E180 PolarHBondContact O-N 3.25Å; Y177-E180 PolarHBondContact O-N 2.98Å; E178-E180 PolarHBondContact O-N 3.11Å; E180-F183 PolarHBondContact O-N 2.96Å; E180-L184 WeakPolarHBondContact O-CB 3.28Å; E180-L184 PolarHBondContact O-N 3.17Å |
| 181 | E | 98 | Very high | 98.2 | Very high | 136 Ų | 136 | 100.5 Ų | 100.5 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.4 | -44.7 | 172.7 | -74.8 | -170.1 | 162.1 | 0 | 0 | 111.9 | Y177 E178 L184 T185 | Y177-E181 WeakPolarHBondContact O-CG 3.4Å; Y177-E181 PolarHBondContact O-N 3.44Å; E178-E181 PolarHBondContact O-N 3.06Å; E181-L184 PolarHBondContact O-N 2.78Å; E181-T185 VanDerWaalsContact O-CB 3.28Å; E181-T185 WeakPolarHBondContact O-CB 3.32Å; E181-T185 PolarHBondContact O-N 2.88Å; E181-T185 PolarHBondContact O-OG1 3.4Å |
| 182 | E | 97.6 | Very high | 98.2 | Very high | 125 Ų | 125 | 98.9 Ų | 98.9 | 58% | 0.584 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.2 | -44.6 | 174.2 | -76 | -178.7 | 177.7 | 0 | 0 | 111.6 | E178 N186 | E178-E182 WeakPolarHBondContact O-CB 3.35Å; E178-E182 WeakPolarHBondContact O-CG 3.48Å; E178-E182 PolarHBondContact O-N 3.25Å; E182-N186 VanDerWaalsContact O-CB 3.23Å; E182-N186 WeakPolarHBondContact O-CB 3.23Å; E182-N186 PolarHBondContact O-N 2.96Å; E182-N186 PolarHBondContact O-ND2 2.75Å |
| 183 | F | 98.2 | Very high | 98.1 | Very high | 130 Ų | 130 | 102.1 Ų | 102.1 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61 | -49.8 | 178.1 | 177 | -97.8 | 0 | 0 | 0 | 111.4 | K179 E180 T185 N186 E187 | K179-F183 WeakPolarHBondContact O-CB 3.3Å; K179-F183 PolarHBondContact O-N 3.5Å; E180-F183 PolarHBondContact O-N 2.96Å; F183-T185 PolarHBondContact O-N 3.29Å; F183-N186 PolarHBondContact O-N 3.35Å; F183-E187 VanDerWaalsContact O-CB 3.31Å; F183-E187 WeakPolarHBondContact O-CB 3.34Å; F183-E187 PolarHBondContact O-N 2.95Å |
| 184 | L | 98.3 | Very high | 98.1 | Very high | 103 Ų | 103 | 103.4 Ų | 103.4 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | -178.6 | -171.7 | 65 | 0 | 0 | 0 | 111.3 | E180 E181 N186 E187 L188 | E180-L184 WeakPolarHBondContact O-CB 3.28Å; E180-L184 PolarHBondContact O-N 3.17Å; E181-L184 PolarHBondContact O-N 2.78Å; L184-N186 PolarHBondContact O-N 2.94Å; L184-E187 PolarHBondContact O-N 3.48Å; L184-L188 HydrophobicContact CD1-CD1 4.45Å; L184-L188 HydrophobicContact CG-CD1 4.05Å; L184-L188 WeakPolarHBondContact O-CB 3.11Å; L184-L188 VanDerWaalsContact O-CG 3.25Å; L184-L188 WeakPolarHBondContact O-CG 3.43Å; L184-L188 PolarHBondContact O-N 2.89Å |
| 185 | T | 98 | Very high | 98.1 | Very high | 83 Ų | 83 | 106.4 Ų | 106.4 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 177.4 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | E181 F183 S189 | E181-T185 VanDerWaalsContact O-CB 3.28Å; E181-T185 WeakPolarHBondContact O-CB 3.32Å; E181-T185 PolarHBondContact O-N 2.88Å; E181-T185 PolarHBondContact O-OG1 3.4Å; F183-T185 PolarHBondContact O-N 3.29Å; T185-S189 VanDerWaalsContact O-CB 3.32Å; T185-S189 WeakPolarHBondContact O-CB 3.32Å; T185-S189 PolarHBondContact O-N 3.41Å; T185-S189 PolarHBondContact O-OG 2.94Å |
| 186 | N | 98.5 | Very high | 98 | Very high | 81 Ų | 81 | 109.5 Ų | 109.5 | 43% | 0.433 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 178 | -76.6 | -36.3 | 0 | 0 | 0 | 112.1 | E182 F183 L184 S189 R190 | E182-N186 VanDerWaalsContact O-CB 3.23Å; E182-N186 WeakPolarHBondContact O-CB 3.23Å; E182-N186 PolarHBondContact O-N 2.96Å; E182-N186 PolarHBondContact O-ND2 2.75Å; F183-N186 PolarHBondContact O-N 3.35Å; L184-N186 PolarHBondContact O-N 2.94Å; N186-S189 PolarHBondContact O-N 3.5Å; N186-R190 PolarHBondContact O-N 2.85Å |
| 187 | E | 98.4 | Very high | 98 | Very high | 59 Ų | 59 | 111.1 Ų | 111.1 | 28% | 0.276 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.8 | -42.9 | 179.9 | -170.6 | 60.5 | -165.3 | 0 | 0 | 112 | F183 L184 S189 R190 K191 | F183-E187 VanDerWaalsContact O-CB 3.31Å; F183-E187 WeakPolarHBondContact O-CB 3.34Å; F183-E187 PolarHBondContact O-N 2.95Å; L184-E187 PolarHBondContact O-N 3.48Å; E187-S189 VanDerWaalsContact C-N 3.33Å; E187-S189 PolarHBondContact O-N 3.41Å; E187-R190 PolarHBondContact O-N 3.33Å; E187-R190 IonicContact OE2-CZ 2.94Å; E187-R190 IonicContact OE2-NE 3.97Å; E187-R190 PolarHBondContact OE2-NE 2.95Å; E187-R190 VanDerWaalsContact OE2-NE 3.16Å; E187-R190 IonicContact OE2-NH2 2.81Å; E187-R190 PolarHBondContact OE2-NH2 3.49Å; E187-K191 WeakPolarHBondContact O-CG 3.33Å; E187-K191 PolarHBondContact O-N 3.35Å |
| 188 | L | 98 | Very high | 98 | Very high | 105 Ų | 105 | 107.9 Ų | 107.9 | 55% | 0.55 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 173.1 | -71.9 | 171.4 | 0 | 0 | 0 | 111.4 | L184 R190 K191 L192 | L184-L188 HydrophobicContact CD1-CD1 4.45Å; L184-L188 HydrophobicContact CG-CD1 4.05Å; L184-L188 WeakPolarHBondContact O-CB 3.11Å; L184-L188 VanDerWaalsContact O-CG 3.25Å; L184-L188 WeakPolarHBondContact O-CG 3.43Å; L184-L188 PolarHBondContact O-N 2.89Å; L188-R190 PolarHBondContact O-N 3.22Å; L188-K191 PolarHBondContact O-N 3.23Å; L188-L192 WeakPolarHBondContact O-CB 3.25Å; L188-L192 PolarHBondContact O-N 3.4Å |
| 189 | S | 97.3 | Very high | 97.9 | Very high | 64 Ų | 64 | 108.3 Ų | 108.3 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 177.1 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | T185 N186 E187 L192 M193 | T185-S189 VanDerWaalsContact O-CB 3.32Å; T185-S189 WeakPolarHBondContact O-CB 3.32Å; T185-S189 PolarHBondContact O-N 3.41Å; T185-S189 PolarHBondContact O-OG 2.94Å; N186-S189 PolarHBondContact O-N 3.5Å; E187-S189 VanDerWaalsContact C-N 3.33Å; E187-S189 PolarHBondContact O-N 3.41Å; S189-L192 PolarHBondContact O-N 3.49Å; S189-M193 WeakPolarHBondContact O-CB 3.37Å; S189-M193 PolarHBondContact O-N 2.96Å |
| 190 | R | 98.4 | Very high | 97.9 | Very high | 130 Ų | 130 | 104.9 Ų | 104.9 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 173.7 | -81.4 | -172.8 | -71.2 | -88.9 | -0.1 | 112 | N186 E187 L188 L192 M193 Q194 | N186-R190 PolarHBondContact O-N 2.85Å; E187-R190 PolarHBondContact O-N 3.33Å; E187-R190 IonicContact OE2-CZ 2.94Å; E187-R190 IonicContact OE2-NE 3.97Å; E187-R190 PolarHBondContact OE2-NE 2.95Å; E187-R190 VanDerWaalsContact OE2-NE 3.16Å; E187-R190 IonicContact OE2-NH2 2.81Å; E187-R190 PolarHBondContact OE2-NH2 3.49Å; L188-R190 PolarHBondContact O-N 3.22Å; R190-L192 VanDerWaalsContact C-N 3.31Å; R190-L192 PolarHBondContact O-N 3.26Å; R190-M193 PolarHBondContact O-N 2.84Å; R190-Q194 WeakPolarHBondContact O-CB 3.5Å; R190-Q194 PolarHBondContact O-N 2.95Å |
| 191 | K | 98.4 | Very high | 97.8 | Very high | 112 Ų | 112 | 103.3 Ų | 103.3 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 178 | -75.3 | 178.2 | -178.2 | 175 | 0 | 112.1 | E187 L188 Q194 L195 | E187-K191 WeakPolarHBondContact O-CG 3.33Å; E187-K191 PolarHBondContact O-N 3.35Å; L188-K191 PolarHBondContact O-N 3.23Å; K191-Q194 PolarHBondContact O-N 2.9Å; K191-L195 WeakPolarHBondContact O-CG 3.22Å; K191-L195 PolarHBondContact O-N 3.34Å |
| 192 | L | 98.1 | Very high | 97.8 | Very high | 100 Ų | 100 | 102.9 Ų | 102.9 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 176.4 | -179.3 | 62.8 | 0 | 0 | 0 | 111.3 | L188 S189 R190 Q194 L195 Q196 | L188-L192 WeakPolarHBondContact O-CB 3.25Å; L188-L192 PolarHBondContact O-N 3.4Å; S189-L192 PolarHBondContact O-N 3.49Å; R190-L192 VanDerWaalsContact C-N 3.31Å; R190-L192 PolarHBondContact O-N 3.26Å; L192-Q194 VanDerWaalsContact C-N 3.33Å; L192-Q194 PolarHBondContact O-N 3Å; L192-L195 PolarHBondContact O-N 3.36Å; L192-Q196 VanDerWaalsContact O-CG 3.32Å; L192-Q196 WeakPolarHBondContact O-CG 3.25Å; L192-Q196 PolarHBondContact O-N 3.38Å |
| 193 | M | 97.5 | Very high | 97.7 | Very high | 139 Ų | 139 | 102.1 Ų | 102.1 | 69% | 0.685 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.8 | -42.3 | 176.8 | -174.3 | -172.7 | -70.7 | 0 | 0 | 111.4 | S189 R190 Q196 H197 | S189-M193 WeakPolarHBondContact O-CB 3.37Å; S189-M193 PolarHBondContact O-N 2.96Å; R190-M193 PolarHBondContact O-N 2.84Å; M193-Q196 PolarHBondContact O-N 2.65Å; M193-H197 WeakPolarHBondContact O-CB 3.23Å; M193-H197 PolarHBondContact O-N 2.82Å |
| 194 | Q | 97.8 | Very high | 97.7 | Very high | 109 Ų | 109 | 101.2 Ų | 101.2 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 176.1 | -178.8 | 177.3 | -0.9 | 0 | 0 | 111.5 | R190 K191 L192 Q196 H197 E198 | R190-Q194 WeakPolarHBondContact O-CB 3.5Å; R190-Q194 PolarHBondContact O-N 2.95Å; K191-Q194 PolarHBondContact O-N 2.9Å; L192-Q194 VanDerWaalsContact C-N 3.33Å; L192-Q194 PolarHBondContact O-N 3Å; Q194-Q196 VanDerWaalsContact C-N 3.3Å; Q194-Q196 PolarHBondContact O-N 2.95Å; Q194-H197 WeakPolarHBondContact O-CB 3.43Å; Q194-H197 PolarHBondContact O-N 3.14Å; Q194-H197 VanDerWaalsContact O-N 3.14Å; Q194-E198 HydrophobicContact CG-CG 4.41Å; Q194-E198 VanDerWaalsContact CG-OE1 3.32Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.31Å; Q194-E198 PolarHBondContact NE2-OE1 3.37Å; Q194-E198 WeakPolarHBondContact O-CG 3.31Å; Q194-E198 PolarHBondContact O-N 2.89Å |
| 195 | L | 98.3 | Very high | 97.6 | Very high | 107 Ų | 107 | 102.1 Ų | 102.1 | 56% | 0.56 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.1 | -36.2 | 178.2 | -72.8 | 172.4 | 0 | 0 | 0 | 112.6 | K191 L192 K199 | K191-L195 WeakPolarHBondContact O-CG 3.22Å; K191-L195 PolarHBondContact O-N 3.34Å; L192-L195 PolarHBondContact O-N 3.36Å; L195-K199 WeakPolarHBondContact O-CB 3.35Å; L195-K199 PolarHBondContact O-N 2.99Å |
| 196 | Q | 97.6 | Very high | 97.6 | Very high | 119 Ų | 119 | 102.8 Ų | 102.8 | 56% | 0.556 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.2 | -40.5 | 174.3 | -75.2 | 177.1 | -5.7 | 0 | 0 | 111.8 | L192 M193 Q194 A200 | L192-Q196 VanDerWaalsContact O-CG 3.32Å; L192-Q196 WeakPolarHBondContact O-CG 3.25Å; L192-Q196 PolarHBondContact O-N 3.38Å; M193-Q196 PolarHBondContact O-N 2.65Å; Q194-Q196 VanDerWaalsContact C-N 3.3Å; Q194-Q196 PolarHBondContact O-N 2.95Å; Q196-A200 WeakPolarHBondContact O-CB 2.82Å; Q196-A200 PolarHBondContact O-N 3.44Å |
| 197 | H | 97.9 | Very high | 97.5 | Very high | 114 Ų | 114 | 105.3 Ų | 105.3 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -51.4 | 176.7 | -175.4 | 49.3 | 0 | 0 | 0 | 111.6 | M193 Q194 K199 A200 E201 | M193-H197 WeakPolarHBondContact O-CB 3.23Å; M193-H197 PolarHBondContact O-N 2.82Å; Q194-H197 WeakPolarHBondContact O-CB 3.43Å; Q194-H197 PolarHBondContact O-N 3.14Å; Q194-H197 VanDerWaalsContact O-N 3.14Å; H197-K199 VanDerWaalsContact C-N 3.25Å; H197-K199 PolarHBondContact O-N 3.33Å; H197-A200 PolarHBondContact O-N 3.25Å; H197-E201 IonicContact CD2-OE1 3.18Å; H197-E201 IonicContact CE1-OE1 3.63Å; H197-E201 IonicContact NE2-OE1 3.35Å; H197-E201 PolarHBondContact NE2-OE1 2.96Å; H197-E201 WeakPolarHBondContact O-CG 3.28Å; H197-E201 PolarHBondContact O-N 2.86Å |
| 198 | E | 97.3 | Very high | 97.4 | Very high | 80 Ų | 80 | 107.5 Ų | 107.5 | 37% | 0.374 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.1 | -40.2 | 176.3 | -71.3 | 174.9 | -169.4 | 0 | 0 | 111.4 | Q194 E201 L202 | Q194-E198 HydrophobicContact CG-CG 4.41Å; Q194-E198 VanDerWaalsContact CG-OE1 3.32Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.31Å; Q194-E198 PolarHBondContact NE2-OE1 3.37Å; Q194-E198 WeakPolarHBondContact O-CG 3.31Å; Q194-E198 PolarHBondContact O-N 2.89Å; E198-E201 PolarHBondContact O-N 3.33Å; E198-L202 WeakPolarHBondContact O-CB 3.35Å; E198-L202 VanDerWaalsContact O-CG 3.28Å; E198-L202 WeakPolarHBondContact O-CG 3.45Å; E198-L202 PolarHBondContact O-N 3.38Å |
| 199 | K | 96.8 | Very high | 97.4 | Very high | 125 Ų | 125 | 106.3 Ų | 106.3 | 54% | 0.543 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61 | -48.1 | 174.1 | 178.9 | -176.6 | 167.7 | -174 | 0 | 111.7 | L195 H197 E201 L202 E203 | L195-K199 WeakPolarHBondContact O-CB 3.35Å; L195-K199 PolarHBondContact O-N 2.99Å; H197-K199 VanDerWaalsContact C-N 3.25Å; H197-K199 PolarHBondContact O-N 3.33Å; K199-E201 VanDerWaalsContact C-N 3.32Å; K199-E201 PolarHBondContact O-N 2.89Å; K199-L202 PolarHBondContact O-N 2.82Å; K199-E203 WeakPolarHBondContact CE-OE1 3.48Å; K199-E203 HydrophobicContact CG-CG 4.48Å; K199-E203 IonicContact NZ-OE1 2.84Å; K199-E203 WeakPolarHBondContact O-CG 3.48Å; K199-E203 PolarHBondContact O-N 3.35Å |
| 200 | A | 97.1 | Very high | 97.4 | Very high | 50 Ų | 50 | 108.5 Ų | 108.5 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q196 H197 E203 Q204 | Q196-A200 WeakPolarHBondContact O-CB 2.82Å; Q196-A200 PolarHBondContact O-N 3.44Å; H197-A200 PolarHBondContact O-N 3.25Å; A200-E203 PolarHBondContact O-N 3.48Å; A200-Q204 WeakPolarHBondContact O-CB 3.41Å; A200-Q204 PolarHBondContact O-N 2.94Å |
| 201 | E | 97.4 | Very high | 97.3 | Very high | 99 Ų | 99 | 107.9 Ų | 107.9 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 174.7 | -69.6 | -175.8 | 149.5 | 0 | 0 | 112 | H197 E198 K199 Q204 H205 | H197-E201 IonicContact CD2-OE1 3.18Å; H197-E201 IonicContact CE1-OE1 3.63Å; H197-E201 IonicContact NE2-OE1 3.35Å; H197-E201 PolarHBondContact NE2-OE1 2.96Å; H197-E201 WeakPolarHBondContact O-CG 3.28Å; H197-E201 PolarHBondContact O-N 2.86Å; E198-E201 PolarHBondContact O-N 3.33Å; K199-E201 VanDerWaalsContact C-N 3.32Å; K199-E201 PolarHBondContact O-N 2.89Å; E201-Q204 PolarHBondContact O-N 3.39Å; E201-H205 WeakPolarHBondContact O-CB 3.17Å; E201-H205 PolarHBondContact O-N 3.2Å |
| 202 | L | 97.3 | Very high | 97.3 | Very high | 126 Ų | 126 | 108.5 Ų | 108.5 | 66% | 0.66 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.7 | -40.5 | 176.8 | -72.2 | 173.6 | 0 | 0 | 0 | 112.1 | E198 K199 H205 L206 | E198-L202 WeakPolarHBondContact O-CB 3.35Å; E198-L202 VanDerWaalsContact O-CG 3.28Å; E198-L202 WeakPolarHBondContact O-CG 3.45Å; E198-L202 PolarHBondContact O-N 3.38Å; K199-L202 PolarHBondContact O-N 2.82Å; L202-H205 PolarHBondContact O-N 3.32Å; L202-L206 WeakPolarHBondContact O-CB 3.31Å; L202-L206 PolarHBondContact O-N 2.93Å |
| 203 | E | 96.1 | Very high | 97.3 | Very high | 109 Ų | 109 | 108.5 Ų | 108.5 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 174.9 | -75.3 | 176.1 | 167 | 0 | 0 | 110.9 | K199 A200 L206 E207 | K199-E203 WeakPolarHBondContact CE-OE1 3.48Å; K199-E203 HydrophobicContact CG-CG 4.48Å; K199-E203 IonicContact NZ-OE1 2.84Å; K199-E203 WeakPolarHBondContact O-CG 3.48Å; K199-E203 PolarHBondContact O-N 3.35Å; A200-E203 PolarHBondContact O-N 3.48Å; E203-L206 PolarHBondContact O-N 3.41Å; E203-E207 WeakPolarHBondContact O-CB 3.48Å; E203-E207 PolarHBondContact O-N 3.45Å |
| 204 | Q | 97.3 | Very high | 97.3 | Very high | 112 Ų | 112 | 106 Ų | 106 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 177.1 | -173.9 | -176.8 | 19.6 | 0 | 0 | 112.1 | A200 E201 L206 E207 Q208 | A200-Q204 WeakPolarHBondContact O-CB 3.41Å; A200-Q204 PolarHBondContact O-N 2.94Å; E201-Q204 PolarHBondContact O-N 3.39Å; Q204-L206 VanDerWaalsContact C-N 3.34Å; Q204-L206 PolarHBondContact O-N 3.01Å; Q204-E207 PolarHBondContact O-N 3.14Å; Q204-Q208 VanDerWaalsContact O-CG 3.31Å; Q204-Q208 WeakPolarHBondContact O-CG 3.47Å; Q204-Q208 PolarHBondContact O-N 2.87Å |
| 205 | H | 97.1 | Very high | 97.4 | Very high | 121 Ų | 121 | 104.1 Ų | 104.1 | 56% | 0.56 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.3 | -40.3 | 178.6 | -175.4 | -77.6 | 0 | 0 | 0 | 111.6 | E201 L202 Q208 E209 | E201-H205 WeakPolarHBondContact O-CB 3.17Å; E201-H205 PolarHBondContact O-N 3.2Å; L202-H205 PolarHBondContact O-N 3.32Å; H205-Q208 PolarHBondContact O-N 2.9Å; H205-E209 WeakPolarHBondContact O-CB 3.4Å; H205-E209 PolarHBondContact O-N 3.31Å |
| 206 | L | 97.7 | Very high | 97.4 | Very high | 98 Ų | 98 | 105.6 Ų | 105.6 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 176.3 | -178.9 | 64.4 | 0 | 0 | 0 | 111.5 | L202 E203 Q204 E209 Q210 | L202-L206 WeakPolarHBondContact O-CB 3.31Å; L202-L206 PolarHBondContact O-N 2.93Å; E203-L206 PolarHBondContact O-N 3.41Å; Q204-L206 VanDerWaalsContact C-N 3.34Å; Q204-L206 PolarHBondContact O-N 3.01Å; L206-E209 PolarHBondContact O-N 3.05Å; L206-Q210 HydrophobicContact CD1-CG 4.42Å; L206-Q210 WeakPolarHBondContact O-CB 3.48Å; L206-Q210 VanDerWaalsContact O-CG 3.29Å; L206-Q210 WeakPolarHBondContact O-CG 3.39Å; L206-Q210 PolarHBondContact O-N 2.92Å |
| 207 | E | 96.3 | Very high | 97.4 | Very high | 134 Ų | 134 | 105 Ų | 105 | 63% | 0.626 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61 | -45.9 | 177 | -174 | 172.7 | -159.8 | 0 | 0 | 111.3 | E203 Q204 E209 Q210 E211 | E203-E207 WeakPolarHBondContact O-CB 3.48Å; E203-E207 PolarHBondContact O-N 3.45Å; Q204-E207 PolarHBondContact O-N 3.14Å; E207-E209 PolarHBondContact O-N 2.94Å; E207-Q210 PolarHBondContact O-N 3.28Å; E207-E211 WeakPolarHBondContact O-CB 3.48Å; E207-E211 PolarHBondContact O-N 3.4Å |
| 208 | Q | 96.4 | Very high | 97.4 | Very high | 105 Ų | 105 | 104.2 Ų | 104.2 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 176.8 | -72.6 | 174.2 | 9.3 | 0 | 0 | 112.6 | Q204 H205 E211 F212 | Q204-Q208 VanDerWaalsContact O-CG 3.31Å; Q204-Q208 WeakPolarHBondContact O-CG 3.47Å; Q204-Q208 PolarHBondContact O-N 2.87Å; H205-Q208 PolarHBondContact O-N 2.9Å; Q208-E211 PolarHBondContact O-N 2.84Å; Q208-F212 WeakPolarHBondContact O-CB 3.48Å; Q208-F212 PolarHBondContact O-N 3.16Å |
| 209 | E | 96.7 | Very high | 97.4 | Very high | 80 Ų | 80 | 108 Ų | 108 | 37% | 0.374 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 178.8 | -178.9 | 57.3 | -139.6 | 0 | 0 | 111.2 | H205 L206 E207 F212 Q213 | H205-E209 WeakPolarHBondContact O-CB 3.4Å; H205-E209 PolarHBondContact O-N 3.31Å; L206-E209 PolarHBondContact O-N 3.05Å; E207-E209 PolarHBondContact O-N 2.94Å; E209-F212 PolarHBondContact O-N 3.47Å; E209-Q213 WeakPolarHBondContact O-CG 3.46Å; E209-Q213 PolarHBondContact O-N 2.95Å; E209-Q213 PolarHBondContact OE1-NE2 2.96Å |
| 210 | Q | 97.6 | Very high | 97.5 | Very high | 109 Ų | 109 | 108.2 Ų | 108.2 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 173.9 | -74.1 | 180 | 8.2 | 0 | 0 | 111.4 | L206 E207 F212 Q213 V214 | L206-Q210 HydrophobicContact CD1-CG 4.42Å; L206-Q210 WeakPolarHBondContact O-CB 3.48Å; L206-Q210 VanDerWaalsContact O-CG 3.29Å; L206-Q210 WeakPolarHBondContact O-CG 3.39Å; L206-Q210 PolarHBondContact O-N 2.92Å; E207-Q210 PolarHBondContact O-N 3.28Å; Q210-F212 VanDerWaalsContact C-N 3.32Å; Q210-F212 PolarHBondContact O-N 2.98Å; Q210-Q213 PolarHBondContact O-N 3.32Å; Q210-V214 WeakPolarHBondContact O-CB 3.32Å; Q210-V214 VanDerWaalsContact O-CG2 3.31Å; Q210-V214 WeakPolarHBondContact O-CG2 3.39Å; Q210-V214 PolarHBondContact O-N 2.95Å |
| 211 | E | 97.1 | Very high | 97.5 | Very high | 118 Ų | 118 | 109.7 Ų | 109.7 | 55% | 0.551 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.3 | -43.5 | 177.4 | -163 | -164 | 154.5 | 0 | 0 | 111.1 | E207 Q208 Q213 V214 N215 | E207-E211 WeakPolarHBondContact O-CB 3.48Å; E207-E211 PolarHBondContact O-N 3.4Å; Q208-E211 PolarHBondContact O-N 2.84Å; E211-Q213 PolarHBondContact O-N 2.88Å; E211-V214 PolarHBondContact O-N 3.34Å; E211-N215 VanDerWaalsContact O-CB 3.24Å; E211-N215 WeakPolarHBondContact O-CB 3.44Å; E211-N215 VanDerWaalsContact O-CG 3.25Å; E211-N215 PolarHBondContact O-N 3.29Å; E211-N215 PolarHBondContact O-ND2 3.37Å |
| 212 | F | 98.3 | Very high | 97.6 | Very high | 125 Ų | 125 | 110.5 Ų | 110.5 | 55% | 0.548 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 175.9 | 178.4 | -100.5 | 0 | 0 | 0 | 112 | Q208 E209 Q210 N215 K216 | Q208-F212 WeakPolarHBondContact O-CB 3.48Å; Q208-F212 PolarHBondContact O-N 3.16Å; E209-F212 PolarHBondContact O-N 3.47Å; Q210-F212 VanDerWaalsContact C-N 3.32Å; Q210-F212 PolarHBondContact O-N 2.98Å; F212-N215 PolarHBondContact O-N 3.46Å; F212-K216 HydrophobicContact CE1-CD 4.48Å; F212-K216 WeakPolarHBondContact O-CB 3.36Å; F212-K216 PolarHBondContact O-N 2.95Å |
| 213 | Q | 98.3 | Very high | 97.6 | Very high | 99 Ų | 99 | 110.8 Ų | 110.8 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 177.7 | -72.6 | 178.7 | 42.9 | 0 | 0 | 112.1 | E209 Q210 E211 N215 K216 L217 | E209-Q213 WeakPolarHBondContact O-CG 3.46Å; E209-Q213 PolarHBondContact O-N 2.95Å; E209-Q213 PolarHBondContact OE1-NE2 2.96Å; Q210-Q213 PolarHBondContact O-N 3.32Å; E211-Q213 PolarHBondContact O-N 2.88Å; Q213-N215 VanDerWaalsContact C-N 3.34Å; Q213-N215 PolarHBondContact O-N 3.46Å; Q213-K216 WeakPolarHBondContact O-CB 3.43Å; Q213-K216 PolarHBondContact O-N 3.23Å; Q213-L217 WeakPolarHBondContact O-CG 3.44Å; Q213-L217 PolarHBondContact O-N 2.86Å |
| 214 | V | 98.2 | Very high | 97.7 | Very high | 88 Ų | 88 | 110 Ų | 110 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59 | -47.1 | 175.2 | 169.6 | 0 | 0 | 0 | 0 | 110.3 | Q210 E211 K216 L217 M218 | Q210-V214 WeakPolarHBondContact O-CB 3.32Å; Q210-V214 VanDerWaalsContact O-CG2 3.31Å; Q210-V214 WeakPolarHBondContact O-CG2 3.39Å; Q210-V214 PolarHBondContact O-N 2.95Å; E211-V214 PolarHBondContact O-N 3.34Å; V214-K216 VanDerWaalsContact C-N 3.32Å; V214-K216 PolarHBondContact O-N 2.92Å; V214-L217 PolarHBondContact O-N 3.42Å; V214-M218 VanDerWaalsContact O-CB 3.28Å; V214-M218 WeakPolarHBondContact O-CB 3.48Å; V214-M218 PolarHBondContact O-N 3.45Å |
| 215 | N | 98.4 | Very high | 97.7 | Very high | 69 Ų | 69 | 109.4 Ų | 109.4 | 37% | 0.369 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 177.2 | -79.6 | -34.4 | 0 | 0 | 0 | 112.1 | E211 F212 Q213 K219 | E211-N215 VanDerWaalsContact O-CB 3.24Å; E211-N215 WeakPolarHBondContact O-CB 3.44Å; E211-N215 VanDerWaalsContact O-CG 3.25Å; E211-N215 PolarHBondContact O-N 3.29Å; E211-N215 PolarHBondContact O-ND2 3.37Å; F212-N215 PolarHBondContact O-N 3.46Å; Q213-N215 VanDerWaalsContact C-N 3.34Å; Q213-N215 PolarHBondContact O-N 3.46Å; N215-K219 WeakPolarHBondContact O-CB 3.25Å; N215-K219 VanDerWaalsContact O-CG 3.28Å; N215-K219 WeakPolarHBondContact O-CG 3.35Å; N215-K219 PolarHBondContact O-N 3.29Å |
| 216 | K | 98.6 | Very high | 97.8 | Very high | 137 Ų | 137 | 108.7 Ų | 108.7 | 60% | 0.596 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65 | -46.1 | 176.5 | -173.8 | 176.7 | -177.4 | 177 | 0 | 111.9 | F212 Q213 V214 K219 K220 | F212-K216 HydrophobicContact CE1-CD 4.48Å; F212-K216 WeakPolarHBondContact O-CB 3.36Å; F212-K216 PolarHBondContact O-N 2.95Å; Q213-K216 WeakPolarHBondContact O-CB 3.43Å; Q213-K216 PolarHBondContact O-N 3.23Å; V214-K216 VanDerWaalsContact C-N 3.32Å; V214-K216 PolarHBondContact O-N 2.92Å; K216-K219 PolarHBondContact O-N 2.85Å; K216-K220 PolarHBondContact O-N 3.23Å; K216-K220 VanDerWaalsContact O-N 3.13Å |
| 217 | L | 98.2 | Very high | 97.8 | Very high | 108 Ų | 108 | 108.2 Ų | 108.2 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.5 | -44.5 | 177.6 | -70.6 | 176 | 0 | 0 | 0 | 111.4 | Q213 V214 K219 K220 I221 | Q213-L217 WeakPolarHBondContact O-CG 3.44Å; Q213-L217 PolarHBondContact O-N 2.86Å; V214-L217 PolarHBondContact O-N 3.42Å; L217-K219 VanDerWaalsContact C-N 3.33Å; L217-K219 PolarHBondContact O-N 3Å; L217-K220 WeakPolarHBondContact O-CA 3.49Å; L217-K220 WeakPolarHBondContact O-CB 3.3Å; L217-K220 PolarHBondContact O-N 2.91Å; L217-I221 WeakPolarHBondContact O-CG1 3.35Å; L217-I221 PolarHBondContact O-N 3.48Å |
| 218 | M | 96.7 | Very high | 97.9 | Very high | 97 Ų | 97 | 106.3 Ų | 106.3 | 48% | 0.478 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 178 | -176 | 164.3 | -93 | 0 | 0 | 111.9 | V214 K220 I221 K222 | V214-M218 VanDerWaalsContact O-CB 3.28Å; V214-M218 WeakPolarHBondContact O-CB 3.48Å; V214-M218 PolarHBondContact O-N 3.45Å; M218-K220 VanDerWaalsContact C-N 3.33Å; M218-K220 PolarHBondContact O-N 2.94Å; M218-I221 PolarHBondContact O-N 2.95Å; M218-K222 HydrophobicContact CG-CD 4.44Å; M218-K222 WeakPolarHBondContact O-CG 3.31Å; M218-K222 PolarHBondContact O-N 3.48Å |
| 219 | K | 98.4 | Very high | 98 | Very high | 158 Ų | 158 | 106 Ų | 106 | 69% | 0.687 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.6 | -40.8 | 171.6 | -76.2 | 173.5 | -177.2 | 177.2 | 0 | 112.2 | N215 K216 L217 K223 | N215-K219 WeakPolarHBondContact O-CB 3.25Å; N215-K219 VanDerWaalsContact O-CG 3.28Å; N215-K219 WeakPolarHBondContact O-CG 3.35Å; N215-K219 PolarHBondContact O-N 3.29Å; K216-K219 PolarHBondContact O-N 2.85Å; L217-K219 VanDerWaalsContact C-N 3.33Å; L217-K219 PolarHBondContact O-N 3Å; K219-K223 PolarHBondContact O-N 3.44Å |
| 220 | K | 98.4 | Very high | 98.1 | Very high | 130 Ų | 130 | 105.5 Ų | 105.5 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.3 | -42.1 | 177.8 | -170.3 | 175.8 | -179.5 | -178.7 | 0 | 112 | K216 L217 M218 K223 M224 | K216-K220 PolarHBondContact O-N 3.23Å; K216-K220 VanDerWaalsContact O-N 3.13Å; L217-K220 WeakPolarHBondContact O-CA 3.49Å; L217-K220 WeakPolarHBondContact O-CB 3.3Å; L217-K220 PolarHBondContact O-N 2.91Å; M218-K220 VanDerWaalsContact C-N 3.33Å; M218-K220 PolarHBondContact O-N 2.94Å; K220-K223 PolarHBondContact O-N 3Å; K220-M224 HydrophobicContact CG-CE 4.35Å; K220-M224 HydrophobicContact CG-SD 4.5Å; K220-M224 WeakPolarHBondContact O-CG 3.4Å; K220-M224 PolarHBondContact O-N 3.3Å |
| 221 | I | 97.8 | Very high | 98.1 | Very high | 82 Ų | 82 | 106.8 Ų | 106.8 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.6 | -55.2 | 174.3 | -70.3 | 167.8 | 0 | 0 | 0 | 109.5 | L217 M218 K223 M224 E225 | L217-I221 WeakPolarHBondContact O-CG1 3.35Å; L217-I221 PolarHBondContact O-N 3.48Å; M218-I221 PolarHBondContact O-N 2.95Å; I221-K223 VanDerWaalsContact C-N 3.25Å; I221-K223 PolarHBondContact O-N 3.29Å; I221-M224 PolarHBondContact O-N 3.1Å; I221-E225 VanDerWaalsContact CG2-CD 3.49Å; I221-E225 HydrophobicContact CG2-CG 4.1Å; I221-E225 VanDerWaalsContact CG2-OE1 3.29Å; I221-E225 WeakPolarHBondContact CG2-OE1 3.28Å; I221-E225 WeakPolarHBondContact O-CB 3.29Å; I221-E225 WeakPolarHBondContact O-CG 3.33Å; I221-E225 PolarHBondContact O-N 3.24Å |
| 222 | K | 98.3 | Very high | 98.1 | Very high | 115 Ų | 115 | 105.2 Ų | 105.2 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -54.5 | -40.2 | 178.4 | -73.1 | 176.7 | 179.8 | 178.6 | 0 | 112.9 | M218 N226 | M218-K222 HydrophobicContact CG-CD 4.44Å; M218-K222 WeakPolarHBondContact O-CG 3.31Å; M218-K222 PolarHBondContact O-N 3.48Å; K222-N226 WeakPolarHBondContact O-CB 3.49Å; K222-N226 VanDerWaalsContact O-CG 3.23Å; K222-N226 PolarHBondContact O-N 2.96Å; K222-N226 PolarHBondContact O-ND2 2.7Å |
| 223 | K | 98.3 | Very high | 98.1 | Very high | 132 Ų | 132 | 104 Ų | 104 | 57% | 0.574 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.4 | -49.2 | 176.2 | -177.8 | 177.8 | 174.3 | -179.9 | 0 | 111.9 | K219 K220 I221 E225 N226 E227 | K219-K223 PolarHBondContact O-N 3.44Å; K220-K223 PolarHBondContact O-N 3Å; I221-K223 VanDerWaalsContact C-N 3.25Å; I221-K223 PolarHBondContact O-N 3.29Å; K223-E225 VanDerWaalsContact C-N 3.35Å; K223-N226 PolarHBondContact O-N 2.9Å; K223-E227 WeakPolarHBondContact CE-OE1 3.49Å; K223-E227 WeakPolarHBondContact O-CG 3.42Å; K223-E227 PolarHBondContact O-N 3.33Å |
| 224 | M | 98.1 | Very high | 98.1 | Very high | 92 Ų | 92 | 103 Ų | 103 | 45% | 0.453 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.5 | -36.2 | 179.4 | -67.4 | -175.2 | -53 | 0 | 0 | 112.3 | K220 I221 E227 T228 | K220-M224 HydrophobicContact CG-CE 4.35Å; K220-M224 HydrophobicContact CG-SD 4.5Å; K220-M224 WeakPolarHBondContact O-CG 3.4Å; K220-M224 PolarHBondContact O-N 3.3Å; I221-M224 PolarHBondContact O-N 3.1Å; M224-E227 PolarHBondContact O-N 2.82Å; M224-T228 WeakPolarHBondContact O-CB 3.31Å; M224-T228 PolarHBondContact O-N 3.36Å; M224-T228 PolarHBondContact O-OG1 2.95Å |
| 225 | E | 97.7 | Very high | 98.1 | Very high | 101 Ų | 101 | 102.9 Ų | 102.9 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60 | -48.6 | 173 | -73.2 | 172.1 | 161.3 | 0 | 0 | 110.7 | I221 K223 E227 T228 I229 | I221-E225 VanDerWaalsContact CG2-CD 3.49Å; I221-E225 HydrophobicContact CG2-CG 4.1Å; I221-E225 VanDerWaalsContact CG2-OE1 3.29Å; I221-E225 WeakPolarHBondContact CG2-OE1 3.28Å; I221-E225 WeakPolarHBondContact O-CB 3.29Å; I221-E225 WeakPolarHBondContact O-CG 3.33Å; I221-E225 PolarHBondContact O-N 3.24Å; K223-E225 VanDerWaalsContact C-N 3.35Å; E225-E227 PolarHBondContact O-N 2.96Å; E225-T228 WeakPolarHBondContact O-CB 3.43Å; E225-T228 PolarHBondContact O-N 3.42Å; E225-T228 VanDerWaalsContact O-N 3.17Å; E225-I229 WeakPolarHBondContact O-CG1 3.42Å; E225-I229 PolarHBondContact O-N 2.86Å |
| 226 | N | 98.1 | Very high | 98.1 | Very high | 106 Ų | 106 | 102.5 Ų | 102.5 | 57% | 0.567 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.6 | -42.2 | 176.4 | -72.7 | -16.4 | 0 | 0 | 0 | 112.7 | K222 K223 T228 I229 S230 | K222-N226 WeakPolarHBondContact O-CB 3.49Å; K222-N226 VanDerWaalsContact O-CG 3.23Å; K222-N226 PolarHBondContact O-N 2.96Å; K222-N226 PolarHBondContact O-ND2 2.7Å; K223-N226 PolarHBondContact O-N 2.9Å; N226-T228 VanDerWaalsContact C-N 3.3Å; N226-T228 PolarHBondContact O-N 3.4Å; N226-I229 PolarHBondContact O-N 3.17Å; N226-S230 VanDerWaalsContact O-CB 3.31Å; N226-S230 WeakPolarHBondContact O-CB 3.3Å; N226-S230 PolarHBondContact O-N 3.39Å |
| 227 | E | 98.3 | Very high | 98.1 | Very high | 88 Ų | 88 | 100 Ų | 100 | 41% | 0.411 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 174.9 | -74.3 | 174.7 | -165.4 | 0 | 0 | 111.7 | K223 M224 E225 S230 K231 | K223-E227 WeakPolarHBondContact CE-OE1 3.49Å; K223-E227 WeakPolarHBondContact O-CG 3.42Å; K223-E227 PolarHBondContact O-N 3.33Å; M224-E227 PolarHBondContact O-N 2.82Å; E225-E227 PolarHBondContact O-N 2.96Å; E227-S230 PolarHBondContact O-N 2.94Å; E227-K231 WeakPolarHBondContact O-CB 3.38Å; E227-K231 VanDerWaalsContact O-CG 3.3Å; E227-K231 WeakPolarHBondContact O-CG 3.35Å; E227-K231 PolarHBondContact O-N 2.87Å |
| 228 | T | 98 | Very high | 98.1 | Very high | 93 Ų | 93 | 99.4 Ų | 99.4 | 57% | 0.571 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.8 | -47.1 | 177.5 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | M224 E225 N226 S230 K231 Q232 | M224-T228 WeakPolarHBondContact O-CB 3.31Å; M224-T228 PolarHBondContact O-N 3.36Å; M224-T228 PolarHBondContact O-OG1 2.95Å; E225-T228 WeakPolarHBondContact O-CB 3.43Å; E225-T228 PolarHBondContact O-N 3.42Å; E225-T228 VanDerWaalsContact O-N 3.17Å; N226-T228 VanDerWaalsContact C-N 3.3Å; N226-T228 PolarHBondContact O-N 3.4Å; T228-S230 PolarHBondContact O-N 3.47Å; T228-K231 PolarHBondContact O-N 3.46Å; T228-Q232 WeakPolarHBondContact O-CB 3.44Å; T228-Q232 PolarHBondContact O-N 3.46Å |
| 229 | I | 98.3 | Very high | 98.2 | Very high | 99 Ų | 99 | 102.3 Ų | 102.3 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 176.2 | -67 | 165.3 | 0 | 0 | 0 | 110.6 | E225 N226 K231 Q232 L233 | E225-I229 WeakPolarHBondContact O-CG1 3.42Å; E225-I229 PolarHBondContact O-N 2.86Å; N226-I229 PolarHBondContact O-N 3.17Å; I229-K231 PolarHBondContact O-N 3.01Å; I229-Q232 WeakPolarHBondContact O-CB 3.4Å; I229-Q232 PolarHBondContact O-N 2.99Å; I229-L233 HydrophobicContact CG2-CD1 4.11Å; I229-L233 HydrophobicContact CG2-CG 4.39Å; I229-L233 WeakPolarHBondContact O-CG 3.35Å; I229-L233 PolarHBondContact O-N 3.48Å |
| 230 | S | 98.3 | Very high | 98.2 | Very high | 70 Ų | 70 | 100.6 Ų | 100.6 | 49% | 0.49 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 178.6 | -178.6 | 0 | 0 | 0 | 0 | 112.3 | N226 E227 T228 L233 T234 | N226-S230 VanDerWaalsContact O-CB 3.31Å; N226-S230 WeakPolarHBondContact O-CB 3.3Å; N226-S230 PolarHBondContact O-N 3.39Å; E227-S230 PolarHBondContact O-N 2.94Å; T228-S230 PolarHBondContact O-N 3.47Å; S230-L233 PolarHBondContact O-N 2.85Å; S230-T234 PolarHBondContact O-N 2.93Å; S230-T234 PolarHBondContact O-OG1 2.84Å |
| 231 | K | 98.4 | Very high | 98.2 | Very high | 136 Ų | 136 | 98.4 Ų | 98.4 | 59% | 0.591 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.4 | -41.3 | 174.3 | -73.9 | 172.5 | -177.9 | 172.4 | 0 | 111.8 | E227 T228 I229 T234 L235 | E227-K231 WeakPolarHBondContact O-CB 3.38Å; E227-K231 VanDerWaalsContact O-CG 3.3Å; E227-K231 WeakPolarHBondContact O-CG 3.35Å; E227-K231 PolarHBondContact O-N 2.87Å; T228-K231 PolarHBondContact O-N 3.46Å; I229-K231 PolarHBondContact O-N 3.01Å; K231-T234 PolarHBondContact O-N 3.34Å; K231-L235 WeakPolarHBondContact O-CB 3.4Å; K231-L235 WeakPolarHBondContact O-CG 3.49Å; K231-L235 PolarHBondContact O-N 3.4Å |
| 232 | Q | 98.2 | Very high | 98.2 | Very high | 84 Ų | 84 | 100 Ų | 100 | 39% | 0.393 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 176.9 | -177.5 | 62.1 | 28.5 | 0 | 0 | 111.4 | T228 I229 T234 L235 E236 | T228-Q232 WeakPolarHBondContact O-CB 3.44Å; T228-Q232 PolarHBondContact O-N 3.46Å; I229-Q232 WeakPolarHBondContact O-CB 3.4Å; I229-Q232 PolarHBondContact O-N 2.99Å; Q232-T234 VanDerWaalsContact C-N 3.34Å; Q232-T234 PolarHBondContact O-N 3.49Å; Q232-L235 PolarHBondContact O-N 2.78Å; Q232-E236 PolarHBondContact NE2-OE1 2.96Å; Q232-E236 WeakPolarHBondContact O-CG 3.35Å; Q232-E236 PolarHBondContact O-N 3.24Å |
| 233 | L | 98.3 | Very high | 98.2 | Very high | 100 Ų | 100 | 98.7 Ų | 98.7 | 52% | 0.524 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 175.9 | -70.3 | 173.8 | 0 | 0 | 0 | 112 | I229 S230 E236 Q237 | I229-L233 HydrophobicContact CG2-CD1 4.11Å; I229-L233 HydrophobicContact CG2-CG 4.39Å; I229-L233 WeakPolarHBondContact O-CG 3.35Å; I229-L233 PolarHBondContact O-N 3.48Å; S230-L233 PolarHBondContact O-N 2.85Å; L233-E236 PolarHBondContact O-N 3.43Å; L233-Q237 WeakPolarHBondContact O-CB 3.41Å; L233-Q237 PolarHBondContact O-N 3.2Å |
| 234 | T | 98 | Very high | 98.1 | Very high | 77 Ų | 77 | 96.9 Ų | 96.9 | 47% | 0.472 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 176.4 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | S230 K231 Q232 E236 Q237 L238 | S230-T234 PolarHBondContact O-N 2.93Å; S230-T234 PolarHBondContact O-OG1 2.84Å; K231-T234 PolarHBondContact O-N 3.34Å; Q232-T234 VanDerWaalsContact C-N 3.34Å; Q232-T234 PolarHBondContact O-N 3.49Å; T234-E236 PolarHBondContact O-N 3.28Å; T234-Q237 WeakPolarHBondContact O-CB 3.29Å; T234-Q237 PolarHBondContact O-N 2.9Å; T234-L238 HydrophobicContact CG2-CD1 4.44Å; T234-L238 WeakPolarHBondContact O-CG 3.28Å; T234-L238 PolarHBondContact O-N 2.9Å |
| 235 | L | 98.4 | Very high | 98.1 | Very high | 87 Ų | 87 | 98.4 Ų | 98.4 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 177 | -76 | 172.8 | 0 | 0 | 0 | 112 | K231 Q232 Q237 L238 R239 | K231-L235 WeakPolarHBondContact O-CB 3.4Å; K231-L235 WeakPolarHBondContact O-CG 3.49Å; K231-L235 PolarHBondContact O-N 3.4Å; Q232-L235 PolarHBondContact O-N 2.78Å; L235-Q237 VanDerWaalsContact C-N 3.34Å; L235-L238 PolarHBondContact O-N 3.49Å; L235-R239 VanDerWaalsContact O-CG 3.31Å; L235-R239 WeakPolarHBondContact O-CG 3.36Å; L235-R239 PolarHBondContact O-N 3.02Å |
| 236 | E | 98.2 | Very high | 98.1 | Very high | 61 Ų | 61 | 98 Ų | 98 | 29% | 0.285 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 174.8 | -75.3 | 175.6 | -163.5 | 0 | 0 | 112.1 | Q232 L233 T234 R239 R240 | Q232-E236 PolarHBondContact NE2-OE1 2.96Å; Q232-E236 WeakPolarHBondContact O-CG 3.35Å; Q232-E236 PolarHBondContact O-N 3.24Å; L233-E236 PolarHBondContact O-N 3.43Å; T234-E236 PolarHBondContact O-N 3.28Å; E236-R239 PolarHBondContact O-N 2.82Å; E236-R240 WeakPolarHBondContact O-CG 3.46Å; E236-R240 PolarHBondContact O-N 3.28Å; E236-R240 IonicContact OE2-NH2 3.23Å; E236-R240 PolarHBondContact OE2-NH2 2.88Å |
| 237 | Q | 98.2 | Very high | 98 | Very high | 84 Ų | 84 | 96.3 Ų | 96.3 | 39% | 0.393 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61 | -49.1 | 174.7 | -176.7 | 58.8 | 23.8 | 0 | 0 | 111.4 | L233 T234 L235 R239 R240 E241 | L233-Q237 WeakPolarHBondContact O-CB 3.41Å; L233-Q237 PolarHBondContact O-N 3.2Å; T234-Q237 WeakPolarHBondContact O-CB 3.29Å; T234-Q237 PolarHBondContact O-N 2.9Å; L235-Q237 VanDerWaalsContact C-N 3.34Å; Q237-R239 VanDerWaalsContact C-N 3.27Å; Q237-R239 PolarHBondContact O-N 3.39Å; Q237-R240 WeakPolarHBondContact O-CB 3.28Å; Q237-R240 PolarHBondContact O-N 3.38Å; Q237-R240 VanDerWaalsContact O-N 3.1Å; Q237-E241 WeakPolarHBondContact CG-OE1 3.36Å; Q237-E241 PolarHBondContact NE2-OE1 3.36Å; Q237-E241 WeakPolarHBondContact O-CG 3.37Å; Q237-E241 PolarHBondContact O-N 2.9Å |
| 238 | L | 98.3 | Very high | 98 | Very high | 96 Ų | 96 | 95.2 Ų | 95.2 | 50% | 0.503 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.2 | -35 | 176.3 | -69.9 | 173.6 | 0 | 0 | 0 | 112.6 | T234 L235 K242 | T234-L238 HydrophobicContact CG2-CD1 4.44Å; T234-L238 WeakPolarHBondContact O-CG 3.28Å; T234-L238 PolarHBondContact O-N 2.9Å; L235-L238 PolarHBondContact O-N 3.49Å; L238-K242 WeakPolarHBondContact O-CB 3.24Å; L238-K242 PolarHBondContact O-N 3.22Å |
| 239 | R | 98.2 | Very high | 98 | Very high | 158 Ų | 158 | 95.1 Ų | 95.1 | 60% | 0.596 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.4 | -41.1 | 173.9 | -77.3 | 173.2 | 177.1 | 170.7 | -0.3 | 111.9 | L235 E236 Q237 I243 | L235-R239 VanDerWaalsContact O-CG 3.31Å; L235-R239 WeakPolarHBondContact O-CG 3.36Å; L235-R239 PolarHBondContact O-N 3.02Å; E236-R239 PolarHBondContact O-N 2.82Å; Q237-R239 VanDerWaalsContact C-N 3.27Å; Q237-R239 PolarHBondContact O-N 3.39Å; R239-I243 WeakPolarHBondContact O-CD1 3.31Å; R239-I243 VanDerWaalsContact O-CG1 3.3Å; R239-I243 WeakPolarHBondContact O-CG1 3.39Å; R239-I243 PolarHBondContact O-N 3.47Å; R239-I243 VanDerWaalsContact O-N 3.15Å |
| 240 | R | 98.3 | Very high | 97.9 | Very high | 121 Ų | 121 | 95.6 Ų | 95.6 | 46% | 0.457 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64 | -51.4 | 175.1 | -68.4 | 177.2 | -163.8 | 112.5 | 8.9 | 110.7 | E236 Q237 K242 I243 D244 | E236-R240 WeakPolarHBondContact O-CG 3.46Å; E236-R240 PolarHBondContact O-N 3.28Å; E236-R240 IonicContact OE2-NH2 3.23Å; E236-R240 PolarHBondContact OE2-NH2 2.88Å; Q237-R240 WeakPolarHBondContact O-CB 3.28Å; Q237-R240 PolarHBondContact O-N 3.38Å; Q237-R240 VanDerWaalsContact O-N 3.1Å; R240-K242 VanDerWaalsContact C-N 3.28Å; R240-K242 PolarHBondContact O-N 3.39Å; R240-I243 WeakPolarHBondContact O-CB 3.38Å; R240-I243 PolarHBondContact O-N 2.84Å; R240-D244 PolarHBondContact O-N 3.39Å |
| 241 | E | 97.6 | Very high | 97.8 | Very high | 85 Ų | 85 | 98.3 Ų | 98.3 | 40% | 0.397 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.7 | -39.3 | 178.3 | -71.4 | 171.2 | -171.1 | 0 | 0 | 112.2 | Q237 D244 L245 | Q237-E241 WeakPolarHBondContact CG-OE1 3.36Å; Q237-E241 PolarHBondContact NE2-OE1 3.36Å; Q237-E241 WeakPolarHBondContact O-CG 3.37Å; Q237-E241 PolarHBondContact O-N 2.9Å; E241-D244 PolarHBondContact O-N 3.3Å; E241-L245 WeakPolarHBondContact O-CB 3.34Å; E241-L245 VanDerWaalsContact O-CG 3.32Å; E241-L245 WeakPolarHBondContact O-CG 3.33Å; E241-L245 PolarHBondContact O-N 3.47Å |
| 242 | K | 97.9 | Very high | 97.8 | Very high | 114 Ų | 114 | 97.4 Ų | 97.4 | 50% | 0.496 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.9 | -48.3 | 173.6 | 177.8 | -179.5 | 176.8 | -73.6 | 0 | 111.5 | L238 R240 D244 L245 E246 | L238-K242 WeakPolarHBondContact O-CB 3.24Å; L238-K242 PolarHBondContact O-N 3.22Å; R240-K242 VanDerWaalsContact C-N 3.28Å; R240-K242 PolarHBondContact O-N 3.39Å; K242-D244 VanDerWaalsContact C-N 3.33Å; K242-D244 PolarHBondContact O-N 2.86Å; K242-L245 PolarHBondContact O-N 3Å; K242-E246 WeakPolarHBondContact CE-OE1 3.5Å; K242-E246 HydrophobicContact CG-CG 4.5Å; K242-E246 IonicContact NZ-OE1 3.56Å; K242-E246 PolarHBondContact NZ-OE1 3.45Å; K242-E246 IonicContact NZ-OE2 2.85Å; K242-E246 PolarHBondContact NZ-OE2 3.24Å; K242-E246 WeakPolarHBondContact O-CB 3.34Å; K242-E246 VanDerWaalsContact O-CG 3.3Å; K242-E246 WeakPolarHBondContact O-CG 3.45Å; K242-E246 PolarHBondContact O-N 3.4Å |
| 243 | I | 98.4 | Very high | 97.7 | Very high | 89 Ų | 89 | 98.7 Ų | 98.7 | 46% | 0.456 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 178.5 | -68.5 | 163.9 | 0 | 0 | 0 | 110.4 | R239 R240 L245 E246 N247 | R239-I243 WeakPolarHBondContact O-CD1 3.31Å; R239-I243 VanDerWaalsContact O-CG1 3.3Å; R239-I243 WeakPolarHBondContact O-CG1 3.39Å; R239-I243 PolarHBondContact O-N 3.47Å; R239-I243 VanDerWaalsContact O-N 3.15Å; R240-I243 WeakPolarHBondContact O-CB 3.38Å; R240-I243 PolarHBondContact O-N 2.84Å; I243-L245 PolarHBondContact O-N 3.25Å; I243-E246 PolarHBondContact O-N 3.43Å; I243-N247 WeakPolarHBondContact O-CB 3.39Å; I243-N247 PolarHBondContact O-N 2.97Å; I243-N247 PolarHBondContact O-ND2 2.87Å |
| 244 | D | 97.4 | Very high | 97.6 | Very high | 94 Ų | 94 | 99 Ų | 99 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 179.6 | -66.4 | -24.8 | 0 | 0 | 0 | 112.2 | R240 E241 K242 T248 | R240-D244 PolarHBondContact O-N 3.39Å; E241-D244 PolarHBondContact O-N 3.3Å; K242-D244 VanDerWaalsContact C-N 3.33Å; K242-D244 PolarHBondContact O-N 2.86Å; D244-T248 WeakPolarHBondContact O-CB 3.41Å; D244-T248 PolarHBondContact O-N 3.45Å; D244-T248 PolarHBondContact O-OG1 2.91Å |
| 245 | L | 97.8 | Very high | 97.6 | Very high | 124 Ų | 124 | 97.3 Ų | 97.3 | 65% | 0.649 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.4 | -41.8 | 174 | -71.2 | 174.6 | 0 | 0 | 0 | 112.1 | E241 K242 I243 T248 L249 | E241-L245 WeakPolarHBondContact O-CB 3.34Å; E241-L245 VanDerWaalsContact O-CG 3.32Å; E241-L245 WeakPolarHBondContact O-CG 3.33Å; E241-L245 PolarHBondContact O-N 3.47Å; K242-L245 PolarHBondContact O-N 3Å; I243-L245 PolarHBondContact O-N 3.25Å; L245-T248 PolarHBondContact O-N 2.85Å; L245-L249 VanDerWaalsContact O-CB 3.29Å; L245-L249 WeakPolarHBondContact O-CB 3.43Å; L245-L249 PolarHBondContact O-N 2.9Å |
| 246 | E | 96.6 | Very high | 97.5 | Very high | 92 Ų | 92 | 97.4 Ų | 97.4 | 43% | 0.43 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.5 | -46 | 174.7 | -75.5 | 174.9 | 148.1 | 0 | 0 | 110.9 | K242 I243 L249 E250 | K242-E246 WeakPolarHBondContact CE-OE1 3.5Å; K242-E246 HydrophobicContact CG-CG 4.5Å; K242-E246 IonicContact NZ-OE1 3.56Å; K242-E246 PolarHBondContact NZ-OE1 3.45Å; K242-E246 IonicContact NZ-OE2 2.85Å; K242-E246 PolarHBondContact NZ-OE2 3.24Å; K242-E246 WeakPolarHBondContact O-CB 3.34Å; K242-E246 VanDerWaalsContact O-CG 3.3Å; K242-E246 WeakPolarHBondContact O-CG 3.45Å; K242-E246 PolarHBondContact O-N 3.4Å; I243-E246 PolarHBondContact O-N 3.43Å; E246-L249 PolarHBondContact O-N 2.85Å; E246-E250 WeakPolarHBondContact O-CB 3.49Å; E246-E250 PolarHBondContact O-N 3.47Å |
| 247 | N | 97.8 | Very high | 97.4 | Very high | 70 Ų | 70 | 98.6 Ų | 98.6 | 37% | 0.374 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 176.3 | -70 | -25 | 0 | 0 | 0 | 112.4 | I243 E250 Q251 | I243-N247 WeakPolarHBondContact O-CB 3.39Å; I243-N247 PolarHBondContact O-N 2.97Å; I243-N247 PolarHBondContact O-ND2 2.87Å; N247-E250 PolarHBondContact O-N 3.45Å; N247-Q251 VanDerWaalsContact O-CG 3.26Å; N247-Q251 WeakPolarHBondContact O-CG 3.38Å; N247-Q251 PolarHBondContact O-N 3.17Å |
| 248 | T | 97.4 | Very high | 97.4 | Very high | 65 Ų | 65 | 99 Ų | 99 | 40% | 0.399 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 177.7 | -56.9 | 0 | 0 | 0 | 0 | 110.5 | D244 L245 Q251 E252 | D244-T248 WeakPolarHBondContact O-CB 3.41Å; D244-T248 PolarHBondContact O-N 3.45Å; D244-T248 PolarHBondContact O-OG1 2.91Å; L245-T248 PolarHBondContact O-N 2.85Å; T248-Q251 PolarHBondContact O-N 3.45Å; T248-E252 WeakPolarHBondContact O-CG 3.46Å; T248-E252 PolarHBondContact O-N 2.89Å |
| 249 | L | 97.9 | Very high | 97.3 | Very high | 92 Ų | 92 | 101 Ų | 101 | 48% | 0.482 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 177.7 | -179.1 | 65.5 | 0 | 0 | 0 | 111.5 | L245 E246 E252 Q253 | L245-L249 VanDerWaalsContact O-CB 3.29Å; L245-L249 WeakPolarHBondContact O-CB 3.43Å; L245-L249 PolarHBondContact O-N 2.9Å; E246-L249 PolarHBondContact O-N 2.85Å; L249-E252 PolarHBondContact O-N 3.39Å; L249-Q253 WeakPolarHBondContact O-CB 3.4Å; L249-Q253 VanDerWaalsContact O-CG 3.27Å; L249-Q253 WeakPolarHBondContact O-CG 3.37Å; L249-Q253 PolarHBondContact O-N 2.97Å |
| 250 | E | 96.3 | Very high | 97.2 | Very high | 108 Ų | 108 | 98.5 Ų | 98.5 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 176.1 | -173 | 168.8 | -155.3 | 0 | 0 | 111.2 | E246 N247 E252 Q253 E254 | E246-E250 WeakPolarHBondContact O-CB 3.49Å; E246-E250 PolarHBondContact O-N 3.47Å; N247-E250 PolarHBondContact O-N 3.45Å; E250-E252 PolarHBondContact O-N 3.25Å; E250-Q253 WeakPolarHBondContact O-CB 3.42Å; E250-Q253 PolarHBondContact O-N 3.04Å; E250-E254 WeakPolarHBondContact O-CG 3.38Å; E250-E254 PolarHBondContact O-N 3.02Å |
| 251 | Q | 97 | Very high | 97.2 | Very high | 128 Ų | 128 | 99.8 Ų | 99.8 | 60% | 0.598 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.3 | -41.5 | 175.6 | -72.3 | 171.8 | 22.5 | 0 | 0 | 112.8 | N247 T248 A255 | N247-Q251 VanDerWaalsContact O-CG 3.26Å; N247-Q251 WeakPolarHBondContact O-CG 3.38Å; N247-Q251 PolarHBondContact O-N 3.17Å; T248-Q251 PolarHBondContact O-N 3.45Å; Q251-A255 WeakPolarHBondContact O-CB 3.3Å; Q251-A255 PolarHBondContact O-N 3.4Å |
| 252 | E | 96.5 | Very high | 97.1 | Very high | 116 Ų | 116 | 102.9 Ų | 102.9 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 175.9 | -75.6 | -174.8 | 171.1 | 0 | 0 | 112 | T248 L249 E250 A255 L256 | T248-E252 WeakPolarHBondContact O-CG 3.46Å; T248-E252 PolarHBondContact O-N 2.89Å; L249-E252 PolarHBondContact O-N 3.39Å; E250-E252 PolarHBondContact O-N 3.25Å; E252-A255 PolarHBondContact O-N 2.87Å; E252-L256 WeakPolarHBondContact O-CB 3.31Å; E252-L256 VanDerWaalsContact O-CG 3.31Å; E252-L256 WeakPolarHBondContact O-CG 3.47Å; E252-L256 PolarHBondContact O-N 2.83Å |
| 253 | Q | 97.6 | Very high | 97 | Very high | 111 Ų | 111 | 105.3 Ų | 105.3 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -50.5 | 175.4 | -73.2 | 176.5 | 13.9 | 0 | 0 | 111 | L249 E250 A255 L256 V257 | L249-Q253 WeakPolarHBondContact O-CB 3.4Å; L249-Q253 VanDerWaalsContact O-CG 3.27Å; L249-Q253 WeakPolarHBondContact O-CG 3.37Å; L249-Q253 PolarHBondContact O-N 2.97Å; E250-Q253 WeakPolarHBondContact O-CB 3.42Å; E250-Q253 PolarHBondContact O-N 3.04Å; Q253-A255 VanDerWaalsContact C-N 3.33Å; Q253-A255 PolarHBondContact O-N 3.18Å; Q253-L256 WeakPolarHBondContact O-CB 3.43Å; Q253-L256 PolarHBondContact O-N 3.4Å; Q253-L256 VanDerWaalsContact O-N 3.16Å; Q253-V257 WeakPolarHBondContact O-CG2 3.43Å; Q253-V257 PolarHBondContact O-N 2.86Å |
| 254 | E | 96.5 | Very high | 96.8 | Very high | 108 Ų | 108 | 105 Ų | 105 | 51% | 0.505 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.1 | -44 | 175.3 | -72.4 | -175.9 | 167.1 | 0 | 0 | 111.7 | E250 L256 V257 N258 | E250-E254 WeakPolarHBondContact O-CG 3.38Å; E250-E254 PolarHBondContact O-N 3.02Å; E254-L256 VanDerWaalsContact C-N 3.32Å; E254-L256 PolarHBondContact O-N 3.33Å; E254-V257 PolarHBondContact O-N 3.04Å; E254-N258 VanDerWaalsContact O-CB 3.27Å; E254-N258 WeakPolarHBondContact O-CB 3.37Å; E254-N258 PolarHBondContact O-N 2.88Å; E254-N258 PolarHBondContact O-ND2 2.91Å |
| 255 | A | 96.4 | Very high | 96.6 | Very high | 41 Ų | 41 | 104.1 Ų | 104.1 | 34% | 0.339 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.6 | -34.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q251 E252 Q253 R259 | Q251-A255 WeakPolarHBondContact O-CB 3.3Å; Q251-A255 PolarHBondContact O-N 3.4Å; E252-A255 PolarHBondContact O-N 2.87Å; Q253-A255 VanDerWaalsContact C-N 3.33Å; Q253-A255 PolarHBondContact O-N 3.18Å; A255-R259 WeakPolarHBondContact O-CB 3.47Å; A255-R259 VanDerWaalsContact O-CG 3.3Å; A255-R259 WeakPolarHBondContact O-CG 3.38Å; A255-R259 PolarHBondContact O-N 3.3Å; A255-R259 VanDerWaalsContact O-N 3.08Å; A255-R259 PolarHBondContact O-NE 3.4Å |
| 256 | L | 97.1 | Very high | 96.5 | Very high | 88 Ų | 88 | 104.5 Ų | 104.5 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.6 | -47.7 | 173 | -78.2 | 168.6 | 0 | 0 | 0 | 111.5 | E252 Q253 E254 N258 R259 L260 | E252-L256 WeakPolarHBondContact O-CB 3.31Å; E252-L256 VanDerWaalsContact O-CG 3.31Å; E252-L256 WeakPolarHBondContact O-CG 3.47Å; E252-L256 PolarHBondContact O-N 2.83Å; Q253-L256 WeakPolarHBondContact O-CB 3.43Å; Q253-L256 PolarHBondContact O-N 3.4Å; Q253-L256 VanDerWaalsContact O-N 3.16Å; E254-L256 VanDerWaalsContact C-N 3.32Å; E254-L256 PolarHBondContact O-N 3.33Å; L256-N258 VanDerWaalsContact C-N 3.31Å; L256-N258 PolarHBondContact O-N 3.41Å; L256-R259 VanDerWaalsContact CD2-NH2 3.34Å; L256-R259 WeakPolarHBondContact O-CB 3.48Å; L256-R259 PolarHBondContact O-N 3.43Å; L256-R259 VanDerWaalsContact O-N 3.1Å; L256-L260 WeakPolarHBondContact O-CG 3.45Å; L256-L260 PolarHBondContact O-N 3.41Å |
| 257 | V | 97.1 | Very high | 96.3 | Very high | 87 Ų | 87 | 105.3 Ų | 105.3 | 53% | 0.527 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.6 | -48.1 | 176 | 171.2 | 0 | 0 | 0 | 0 | 109.9 | Q253 E254 R259 L260 W261 | Q253-V257 WeakPolarHBondContact O-CG2 3.43Å; Q253-V257 PolarHBondContact O-N 2.86Å; E254-V257 PolarHBondContact O-N 3.04Å; V257-R259 VanDerWaalsContact C-N 3.32Å; V257-R259 PolarHBondContact O-N 3.18Å; V257-L260 PolarHBondContact O-N 3.03Å; V257-W261 VanDerWaalsContact O-CB 3.28Å; V257-W261 WeakPolarHBondContact O-CB 3.36Å; V257-W261 PolarHBondContact O-N 3.05Å |
| 258 | N | 97 | Very high | 96 | Very high | 93 Ų | 93 | 107.4 Ų | 107.4 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 176.3 | -76.5 | -36.8 | 0 | 0 | 0 | 112.6 | E254 L256 K262 | E254-N258 VanDerWaalsContact O-CB 3.27Å; E254-N258 WeakPolarHBondContact O-CB 3.37Å; E254-N258 PolarHBondContact O-N 2.88Å; E254-N258 PolarHBondContact O-ND2 2.91Å; L256-N258 VanDerWaalsContact C-N 3.31Å; L256-N258 PolarHBondContact O-N 3.41Å; N258-K262 WeakPolarHBondContact O-CB 3.41Å; N258-K262 VanDerWaalsContact O-CG 3.29Å; N258-K262 WeakPolarHBondContact O-CG 3.31Å; N258-K262 PolarHBondContact O-N 3.21Å |
| 259 | R | 97.1 | Very high | 95.7 | Very high | 137 Ų | 137 | 106.5 Ų | 106.5 | 52% | 0.517 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.8 | -43.5 | 175.5 | -82.2 | -177.3 | -76.1 | 176.1 | -6.3 | 112.3 | A255 L256 V257 K262 R263 | A255-R259 WeakPolarHBondContact O-CB 3.47Å; A255-R259 VanDerWaalsContact O-CG 3.3Å; A255-R259 WeakPolarHBondContact O-CG 3.38Å; A255-R259 PolarHBondContact O-N 3.3Å; A255-R259 VanDerWaalsContact O-N 3.08Å; A255-R259 PolarHBondContact O-NE 3.4Å; L256-R259 VanDerWaalsContact CD2-NH2 3.34Å; L256-R259 WeakPolarHBondContact O-CB 3.48Å; L256-R259 PolarHBondContact O-N 3.43Å; L256-R259 VanDerWaalsContact O-N 3.1Å; V257-R259 VanDerWaalsContact C-N 3.32Å; V257-R259 PolarHBondContact O-N 3.18Å; R259-K262 PolarHBondContact O-N 2.95Å; R259-R263 WeakPolarHBondContact O-CG 3.42Å; R259-R263 PolarHBondContact O-N 3.36Å |
| 260 | L | 96.5 | Very high | 95.3 | Very high | 105 Ų | 105 | 105.6 Ų | 105.6 | 55% | 0.55 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 178 | -72.8 | 175.2 | 0 | 0 | 0 | 110.9 | L256 V257 K262 R263 M264 | L256-L260 WeakPolarHBondContact O-CG 3.45Å; L256-L260 PolarHBondContact O-N 3.41Å; V257-L260 PolarHBondContact O-N 3.03Å; L260-K262 PolarHBondContact O-N 2.68Å; L260-R263 PolarHBondContact O-N 2.91Å; L260-M264 VanDerWaalsContact O-CB 3.31Å; L260-M264 WeakPolarHBondContact O-CB 3.09Å; L260-M264 PolarHBondContact O-N 3.34Å |
| 261 | W | 96.6 | Very high | 94.8 | Very high | 149 Ų | 149 | 107.4 Ų | 107.4 | 56% | 0.564 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -55.9 | -51.5 | 173.9 | -167.6 | -67.1 | 0 | 0 | 0 | 111.2 | V257 R263 M264 D265 | V257-W261 VanDerWaalsContact O-CB 3.28Å; V257-W261 WeakPolarHBondContact O-CB 3.36Å; V257-W261 PolarHBondContact O-N 3.05Å; W261-R263 VanDerWaalsContact C-N 3.32Å; W261-R263 PolarHBondContact O-N 3.37Å; W261-M264 HydrophobicContact CD2-CE 4.22Å; W261-M264 HydrophobicContact CE3-CE 4.22Å; W261-M264 HydrophobicContact CG-CE 4.45Å; W261-M264 CarbonylContact O-C 3.59Å; W261-M264 WeakPolarHBondContact O-CB 3.47Å; W261-M264 PolarHBondContact O-N 3.13Å; W261-M264 VanDerWaalsContact O-N 3.11Å; W261-D265 PolarHBondContact NE1-OD1 3.47Å; W261-D265 PolarHBondContact NE1-OD2 3.01Å; W261-D265 VanDerWaalsContact NE1-OD2 3.14Å; W261-D265 PolarHBondContact O-N 3.4Å |
| 262 | K | 96.9 | Very high | 94.4 | Very high | 150 Ų | 150 | 110.8 Ų | 110.8 | 65% | 0.652 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.7 | -39.4 | 176.5 | -75.2 | 176.3 | -178.2 | -179.1 | 0 | 113.2 | N258 R259 L260 K266 | N258-K262 WeakPolarHBondContact O-CB 3.41Å; N258-K262 VanDerWaalsContact O-CG 3.29Å; N258-K262 WeakPolarHBondContact O-CG 3.31Å; N258-K262 PolarHBondContact O-N 3.21Å; R259-K262 PolarHBondContact O-N 2.95Å; L260-K262 PolarHBondContact O-N 2.68Å; K262-K266 VanDerWaalsContact O-CB 3.27Å; K262-K266 WeakPolarHBondContact O-CB 3.49Å; K262-K266 PolarHBondContact O-N 3.45Å |
| 263 | R | 95.8 | Very high | 93.7 | Very high | 164 Ų | 164 | 108.8 Ų | 108.8 | 62% | 0.619 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.6 | -40.3 | 175.1 | -77.9 | -178.8 | -177.1 | 165.3 | 0.3 | 111.5 | R259 L260 W261 K266 L267 | R259-R263 WeakPolarHBondContact O-CG 3.42Å; R259-R263 PolarHBondContact O-N 3.36Å; L260-R263 PolarHBondContact O-N 2.91Å; W261-R263 VanDerWaalsContact C-N 3.32Å; W261-R263 PolarHBondContact O-N 3.37Å; R263-K266 PolarHBondContact O-N 2.93Å; R263-L267 WeakPolarHBondContact O-CB 3.47Å; R263-L267 VanDerWaalsContact O-CG 3.25Å; R263-L267 WeakPolarHBondContact O-CG 3.42Å; R263-L267 PolarHBondContact O-N 2.89Å |
| 264 | M | 93.8 | Very high | 92.8 | Very high | 84 Ų | 84 | 108.6 Ų | 108.6 | 41% | 0.414 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -51.5 | 176.3 | 178.1 | 169.9 | 50.6 | 0 | 0 | 110.6 | L260 W261 K266 L267 E268 | L260-M264 VanDerWaalsContact O-CB 3.31Å; L260-M264 WeakPolarHBondContact O-CB 3.09Å; L260-M264 PolarHBondContact O-N 3.34Å; W261-M264 HydrophobicContact CD2-CE 4.22Å; W261-M264 HydrophobicContact CE3-CE 4.22Å; W261-M264 HydrophobicContact CG-CE 4.45Å; W261-M264 CarbonylContact O-C 3.59Å; W261-M264 WeakPolarHBondContact O-CB 3.47Å; W261-M264 PolarHBondContact O-N 3.13Å; W261-M264 VanDerWaalsContact O-N 3.11Å; M264-K266 PolarHBondContact O-N 3.18Å; M264-L267 CarbonylContact O-C 3.46Å; M264-L267 WeakPolarHBondContact O-CA 3.3Å; M264-L267 WeakPolarHBondContact O-CB 3.31Å; M264-L267 PolarHBondContact O-N 3.44Å; M264-E268 WeakPolarHBondContact O-CB 3.35Å; M264-E268 WeakPolarHBondContact O-CG 3.48Å; M264-E268 PolarHBondContact O-N 3Å |
| 265 | D | 94.1 | Very high | 91.9 | Very high | 75 Ų | 75 | 108.7 Ų | 108.7 | 40% | 0.401 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -54.3 | -43.2 | 173.7 | -74.2 | -12.2 | 0 | 0 | 0 | 111.3 | W261 E268 A269 | W261-D265 PolarHBondContact NE1-OD1 3.47Å; W261-D265 PolarHBondContact NE1-OD2 3.01Å; W261-D265 VanDerWaalsContact NE1-OD2 3.14Å; W261-D265 PolarHBondContact O-N 3.4Å; D265-E268 PolarHBondContact O-N 2.88Å; D265-A269 WeakPolarHBondContact O-CB 3.45Å; D265-A269 PolarHBondContact O-N 3.27Å |
| 266 | K | 94.3 | Very high | 90.6 | Very high | 131 Ų | 131 | 112.9 Ų | 112.9 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.2 | -45.3 | 176.4 | -168.4 | -172.7 | -177 | -144.6 | 0 | 111.6 | K262 R263 M264 E268 A269 E270 | K262-K266 VanDerWaalsContact O-CB 3.27Å; K262-K266 WeakPolarHBondContact O-CB 3.49Å; K262-K266 PolarHBondContact O-N 3.45Å; R263-K266 PolarHBondContact O-N 2.93Å; M264-K266 PolarHBondContact O-N 3.18Å; K266-E268 VanDerWaalsContact C-N 3.31Å; K266-A269 PolarHBondContact O-N 3.48Å; K266-E270 WeakPolarHBondContact CE-OE1 3.46Å; K266-E270 IonicContact NZ-OE1 3.15Å; K266-E270 PolarHBondContact NZ-OE1 2.76Å; K266-E270 VanDerWaalsContact NZ-OE1 3.15Å; K266-E270 WeakPolarHBondContact O-CB 3.47Å; K266-E270 VanDerWaalsContact O-CG 3.3Å; K266-E270 WeakPolarHBondContact O-CG 3.47Å; K266-E270 PolarHBondContact O-N 3.49Å |
| 267 | L | 93.1 | Very high | 89 | Confident | 110 Ų | 110 | 114.7 Ų | 114.7 | 58% | 0.576 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.6 | -34.1 | 176.5 | -76.4 | 172.1 | 0 | 0 | 0 | 111.9 | R263 M264 K271 | R263-L267 WeakPolarHBondContact O-CB 3.47Å; R263-L267 VanDerWaalsContact O-CG 3.25Å; R263-L267 WeakPolarHBondContact O-CG 3.42Å; R263-L267 PolarHBondContact O-N 2.89Å; M264-L267 CarbonylContact O-C 3.46Å; M264-L267 WeakPolarHBondContact O-CA 3.3Å; M264-L267 WeakPolarHBondContact O-CB 3.31Å; M264-L267 PolarHBondContact O-N 3.44Å; L267-K271 WeakPolarHBondContact O-CB 3.47Å; L267-K271 PolarHBondContact O-N 3.35Å |
| 268 | E | 91.3 | Very high | 86.9 | Confident | 114 Ų | 114 | 116.5 Ų | 116.5 | 53% | 0.533 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.9 | -41.2 | 174.3 | -74.9 | -176.8 | -179.3 | 0 | 0 | 111.4 | M264 D265 K266 K271 R272 | M264-E268 WeakPolarHBondContact O-CB 3.35Å; M264-E268 WeakPolarHBondContact O-CG 3.48Å; M264-E268 PolarHBondContact O-N 3Å; D265-E268 PolarHBondContact O-N 2.88Å; K266-E268 VanDerWaalsContact C-N 3.31Å; E268-K271 PolarHBondContact O-N 3.43Å; E268-R272 VanDerWaalsContact O-CB 3.32Å; E268-R272 WeakPolarHBondContact O-CB 3.46Å; E268-R272 PolarHBondContact O-N 3.4Å |
| 269 | A | 90.3 | Very high | 84.7 | Confident | 46 Ų | 46 | 118.9 Ų | 118.9 | 38% | 0.38 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D265 K266 R272 I273 | D265-A269 WeakPolarHBondContact O-CB 3.45Å; D265-A269 PolarHBondContact O-N 3.27Å; K266-A269 PolarHBondContact O-N 3.48Å; A269-R272 WeakPolarHBondContact O-CB 3.41Å; A269-R272 PolarHBondContact O-N 2.97Å; A269-I273 WeakPolarHBondContact O-CB 3.38Å; A269-I273 VanDerWaalsContact O-CG1 3.23Å; A269-I273 WeakPolarHBondContact O-CG1 3.26Å; A269-I273 PolarHBondContact O-N 2.93Å |
| 270 | E | 90 | Very high | 82.1 | Confident | 72 Ų | 72 | 119 Ų | 119 | 34% | 0.336 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.4 | -41.3 | 173.6 | -76.5 | 174.6 | -166.3 | 0 | 0 | 110.9 | K266 R272 I273 L274 | K266-E270 WeakPolarHBondContact CE-OE1 3.46Å; K266-E270 IonicContact NZ-OE1 3.15Å; K266-E270 PolarHBondContact NZ-OE1 2.76Å; K266-E270 VanDerWaalsContact NZ-OE1 3.15Å; K266-E270 WeakPolarHBondContact O-CB 3.47Å; K266-E270 VanDerWaalsContact O-CG 3.3Å; K266-E270 WeakPolarHBondContact O-CG 3.47Å; K266-E270 PolarHBondContact O-N 3.49Å; E270-R272 VanDerWaalsContact C-N 3.33Å; E270-R272 PolarHBondContact O-N 3.46Å; E270-I273 CarbonylContact O-C 3.48Å; E270-I273 PolarHBondContact O-N 2.85Å; E270-L274 WeakPolarHBondContact O-CA 3.37Å; E270-L274 WeakPolarHBondContact O-CB 3.3Å; E270-L274 WeakPolarHBondContact O-CG 3.49Å; E270-L274 PolarHBondContact O-N 2.9Å |
| 271 | K | 86.1 | Confident | 79.5 | Confident | 147 Ų | 147 | 120.5 Ų | 120.5 | 64% | 0.639 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.4 | -41.3 | 173.1 | -179.3 | -174.8 | 174.8 | -173.5 | 0 | 110.6 | L267 E268 L274 Q275 | L267-K271 WeakPolarHBondContact O-CB 3.47Å; L267-K271 PolarHBondContact O-N 3.35Å; E268-K271 PolarHBondContact O-N 3.43Å; K271-L274 PolarHBondContact O-N 2.9Å; K271-Q275 WeakPolarHBondContact O-CB 3.38Å; K271-Q275 PolarHBondContact O-N 3.47Å |
| 272 | R | 88.4 | Confident | 76.4 | Confident | 198 Ų | 198 | 119 Ų | 119 | 75% | 0.747 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.3 | -45.6 | 175.6 | -174.2 | 179.1 | 179.7 | 173 | 0.6 | 111.5 | E268 A269 E270 Q275 E276 | E268-R272 VanDerWaalsContact O-CB 3.32Å; E268-R272 WeakPolarHBondContact O-CB 3.46Å; E268-R272 PolarHBondContact O-N 3.4Å; A269-R272 WeakPolarHBondContact O-CB 3.41Å; A269-R272 PolarHBondContact O-N 2.97Å; E270-R272 VanDerWaalsContact C-N 3.33Å; E270-R272 PolarHBondContact O-N 3.46Å; R272-Q275 WeakPolarHBondContact O-CB 3.41Å; R272-Q275 PolarHBondContact O-N 3.4Å; R272-E276 WeakPolarHBondContact O-CB 3.49Å; R272-E276 PolarHBondContact O-N 2.84Å |
| 273 | I | 82.7 | Confident | 73.4 | Confident | 74 Ų | 74 | 118 Ų | 118 | 38% | 0.379 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.6 | -37.9 | 176.4 | -68.9 | 165 | 0 | 0 | 0 | 111.1 | A269 E270 E276 K277 | A269-I273 WeakPolarHBondContact O-CB 3.38Å; A269-I273 VanDerWaalsContact O-CG1 3.23Å; A269-I273 WeakPolarHBondContact O-CG1 3.26Å; A269-I273 PolarHBondContact O-N 2.93Å; E270-I273 CarbonylContact O-C 3.48Å; E270-I273 PolarHBondContact O-N 2.85Å; I273-E276 CarbonylContact O-C 3.57Å; I273-E276 WeakPolarHBondContact O-CB 3.43Å; I273-E276 PolarHBondContact O-N 3.07Å; I273-K277 HydrophobicContact CG2-CD 3.77Å; I273-K277 HydrophobicContact CG2-CG 4.09Å; I273-K277 WeakPolarHBondContact O-CA 3.45Å; I273-K277 WeakPolarHBondContact O-CB 3.39Å; I273-K277 WeakPolarHBondContact O-CG 3.34Å; I273-K277 PolarHBondContact O-N 3.05Å |
| 274 | L | 78.9 | Confident | 70.4 | Confident | 107 Ų | 107 | 114.3 Ų | 114.3 | 56% | 0.56 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -73.5 | -32.7 | 176.5 | -77.1 | 172.1 | 0 | 0 | 0 | 110.8 | E270 K271 E276 K277 L278 | E270-L274 WeakPolarHBondContact O-CA 3.37Å; E270-L274 WeakPolarHBondContact O-CB 3.3Å; E270-L274 WeakPolarHBondContact O-CG 3.49Å; E270-L274 PolarHBondContact O-N 2.9Å; K271-L274 PolarHBondContact O-N 2.9Å; L274-E276 VanDerWaalsContact C-N 3.33Å; L274-K277 CarbonylContact O-C 3.35Å; L274-K277 PolarHBondContact O-N 3.38Å; L274-L278 WeakPolarHBondContact O-CA 3.47Å; L274-L278 WeakPolarHBondContact O-CB 3.38Å; L274-L278 PolarHBondContact O-N 3Å |
| 275 | Q | 76 | Confident | 68.4 | Low | 110 Ų | 110 | 115.9 Ų | 115.9 | 51% | 0.514 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62.9 | -44.5 | 168 | -166.7 | 71.5 | 39.7 | 0 | 0 | 109.6 | K271 R272 L278 D279 | K271-Q275 WeakPolarHBondContact O-CB 3.38Å; K271-Q275 PolarHBondContact O-N 3.47Å; R272-Q275 WeakPolarHBondContact O-CB 3.41Å; R272-Q275 PolarHBondContact O-N 3.4Å; Q275-L278 PolarHBondContact O-N 2.99Å; Q275-D279 PolarHBondContact O-N 3.42Å |
| 276 | E | 70.6 | Confident | 65.6 | Low | 130 Ų | 130 | 118.7 Ų | 118.7 | 61% | 0.607 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.9 | -33.7 | 174 | -174.7 | 177.5 | -162.5 | 0 | 0 | 113.1 | R272 I273 L274 | R272-E276 WeakPolarHBondContact O-CB 3.49Å; R272-E276 PolarHBondContact O-N 2.84Å; I273-E276 CarbonylContact O-C 3.57Å; I273-E276 WeakPolarHBondContact O-CB 3.43Å; I273-E276 PolarHBondContact O-N 3.07Å; L274-E276 VanDerWaalsContact C-N 3.33Å |
| 277 | K | 63.4 | Low | 62.7 | Low | 126 Ų | 126 | 117.6 Ų | 117.6 | 55% | 0.548 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.7 | -1.4 | 175.2 | -71.4 | 179.3 | -179.9 | -179.2 | 0 | 113.5 | I273 L274 Q280 | I273-K277 HydrophobicContact CG2-CD 3.77Å; I273-K277 HydrophobicContact CG2-CG 4.09Å; I273-K277 WeakPolarHBondContact O-CA 3.45Å; I273-K277 WeakPolarHBondContact O-CB 3.39Å; I273-K277 WeakPolarHBondContact O-CG 3.34Å; I273-K277 PolarHBondContact O-N 3.05Å; L274-K277 CarbonylContact O-C 3.35Å; L274-K277 PolarHBondContact O-N 3.38Å; K277-Q280 CarbonylContact C-O 3.51Å; K277-Q280 CarbonylContact O-C 3.54Å |
| 278 | L | 51.4 | Low | 60.9 | Low | 125 Ų | 125 | 117.7 Ų | 117.7 | 65% | 0.654 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -25.6 | 168.2 | -174 | 68.9 | 0 | 0 | 0 | 108.9 | L274 Q275 Q280 | L274-L278 WeakPolarHBondContact O-CA 3.47Å; L274-L278 WeakPolarHBondContact O-CB 3.38Å; L274-L278 PolarHBondContact O-N 3Å; Q275-L278 PolarHBondContact O-N 2.99Å; L278-Q280 PolarHBondContact O-N 3.42Å |
| 279 | D | 51.4 | Low | 58.4 | Low | 142 Ų | 142 | 124.3 Ų | 124.3 | 76% | 0.759 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -70.1 | 3.7 | 158.8 | -81.5 | -14.8 | 0 | 0 | 0 | 113.2 | Q275 | Q275-D279 PolarHBondContact O-N 3.42Š|
| 280 | Q | 42.3 | Very low | 55.7 | Low | 141 Ų | 141 | 129.4 Ų | 129.4 | 66% | 0.659 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -138.1 | 151.5 | 168.9 | -82.9 | -178.6 | 22.2 | 0 | 0 | 111.4 | K277 L278 | K277-Q280 CarbonylContact C-O 3.51Å; K277-Q280 CarbonylContact O-C 3.54Å; L278-Q280 PolarHBondContact O-N 3.42Å |
| 281 | P | 42.2 | Very low | 53.5 | Low | 135 Ų | 135 | 132.1 Ų | 132.1 | 88% | 0.877 | 71% | 0.712 | S | S | * | * | trans | -77.2 | 141.3 | -171.6 | 27.3 | -32.1 | 0 | 0 | 0 | 115.1 | ||||
| 282 | V | 31.4 | Very low | 51.1 | Low | 118 Ų | 118 | 131 Ų | 131 | 72% | 0.715 | 72% | 0.722 | S | S | * | * | trans | -80.9 | 146.2 | -166.2 | 173.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 283 | S | 33.8 | Very low | 49.1 | Very low | 128 Ų | 128 | 130 Ų | 130 | 90% | 0.895 | 73% | 0.728 | S | S | * | * | trans | -150.8 | 148.5 | 151.2 | -154.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 284 | A | 34.1 | Very low | 47.3 | Very low | 87 Ų | 87 | 136 Ų | 136 | 72% | 0.719 | 75% | 0.754 | S | S | * | * | trans | -119 | -172.8 | -151.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 285 | P | 49.8 | Very low | 45.8 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -118.7 | -172.3 | -131.1 | 34.3 | -10.7 | 0 | 0 | 0 | 115.1 | ||||
| 286 | P | 37.1 | Very low | 44.6 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | -157.8 | 178.7 | 112.3 | 36.6 | -14.5 | 0 | 0 | 0 | 117.7 | |||||
| 287 | S | 32.9 | Very low | 44.1 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -120.9 | -153.8 | -171.1 | -169.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 288 | P | 56 | Low | 44.2 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | -115 | -175.7 | -101.2 | 40.1 | -22.6 | 0 | 0 | 0 | 114.7 | |||||
| 289 | R | 37.8 | Very low | 45.1 | Very low | 253 Ų | 253 | 135.2 Ų | 135.2 | 96% | 0.955 | 77% | 0.77 | S | S | * | * | trans | -147 | 156.3 | 167.1 | -75.5 | -164.3 | 177.3 | -174.9 | -1.3 | 116.2 | ||||
| 290 | D | 33.8 | Very low | 46.2 | Very low | 152 Ų | 152 | 132.6 Ų | 132.6 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | trans | -99.7 | 155.6 | -159.4 | -83.2 | -46.5 | 0 | 0 | 0 | 118.3 | ||||
| 291 | V | 43.5 | Very low | 47.7 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 79% | 0.788 | 75% | 0.754 | S | S | * | * | trans | 48.7 | 135.8 | 132.9 | -168.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 292 | S | 36.1 | Very low | 49.5 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | trans | -163.3 | 139.8 | 136.9 | -154.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 293 | M | 45.3 | Very low | 52 | Low | 179 Ų | 179 | 132.7 Ų | 132.7 | 88% | 0.882 | 73% | 0.733 | S | S | * | * | trans | -128.5 | 121.4 | -177.1 | -155.9 | 166.3 | 101.7 | 0 | 0 | 107.9 | ||||
| 294 | E | 45.7 | Very low | 54.4 | Low | 198 Ų | 198 | 131.8 Ų | 131.8 | 93% | 0.925 | 71% | 0.714 | S | S | * | * | trans | -89.6 | 148.5 | -175.7 | -80.9 | -163.7 | 154 | 0 | 0 | 113.3 | ||||
| 295 | I | 47.9 | Very low | 56.9 | Low | 168 Ų | 168 | 131.6 Ų | 131.6 | 86% | 0.862 | 70% | 0.7 | S | S | * | * | trans | -110.6 | 133.8 | -177 | -66.6 | 172.4 | 0 | 0 | 0 | 109.7 | ||||
| 296 | D | 50.5 | Low | 58.8 | Low | 144 Ų | 144 | 133.6 Ų | 133.6 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | trans | -66.9 | 146.9 | -175.3 | -84.8 | -43 | 0 | 0 | 0 | 115.9 | ||||
| 297 | S | 60 | Low | 61.3 | Low | 65 Ų | 65 | 133.4 Ų | 133.4 | 46% | 0.455 | 68% | 0.678 | S | S | . | * | trans | -74.8 | 146.6 | -168.8 | -178.1 | 0 | 0 | 0 | 0 | 115.9 | E299 N300 | S297-E299 VanDerWaalsContact C-N 3.32Å; S297-E299 PolarHBondContact O-N 3.44Å; S297-E299 VanDerWaalsContact O-N 3.13Å; S297-N300 PolarHBondContact O-N 2.85Å | ||
| 298 | P | 65 | Low | 64 | Low | 92 Ų | 92 | 132 Ų | 132 | 60% | 0.597 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -53.9 | -28.5 | -176.1 | -27.2 | 33.9 | 0 | 0 | 0 | 117.5 | N300 M301 M302 | P298-N300 VanDerWaalsContact C-N 3.3Å; P298-N300 PolarHBondContact O-N 3.12Å; P298-M301 WeakPolarHBondContact O-CB 3.3Å; P298-M301 PolarHBondContact O-N 3.49Å; P298-M302 PolarHBondContact O-N 3.27Å |
| 299 | E | 71.4 | Confident | 65.7 | Low | 114 Ų | 114 | 133.7 Ų | 133.7 | 53% | 0.533 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -60.9 | -36.3 | 177.6 | -100.5 | 78.1 | -155.9 | 0 | 0 | 113.5 | S297 M301 M302 R303 | S297-E299 VanDerWaalsContact C-N 3.32Å; S297-E299 PolarHBondContact O-N 3.44Å; S297-E299 VanDerWaalsContact O-N 3.13Å; E299-M301 VanDerWaalsContact C-N 3.28Å; E299-M301 PolarHBondContact O-N 3.33Å; E299-M302 PolarHBondContact O-N 3.24Å; E299-R303 PolarHBondContact O-N 3.08Å |
| 300 | N | 72.9 | Confident | 68.4 | Low | 86 Ų | 86 | 126.9 Ų | 126.9 | 46% | 0.46 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -66.1 | -35.8 | -179.1 | -75.4 | -16.4 | 0 | 0 | 0 | 110.9 | S297 P298 R303 H304 | S297-N300 PolarHBondContact O-N 2.85Å; P298-N300 VanDerWaalsContact C-N 3.3Å; P298-N300 PolarHBondContact O-N 3.12Å; N300-R303 PolarHBondContact O-N 2.82Å; N300-H304 PolarHBondContact O-N 3.29Å; N300-H304 VanDerWaalsContact O-N 3.11Å |
| 301 | M | 75.4 | Confident | 71.2 | Confident | 127 Ų | 127 | 122.3 Ų | 122.3 | 63% | 0.626 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.2 | -41 | 178 | -158.8 | 171.9 | -55.9 | 0 | 0 | 111.9 | P298 E299 R303 H304 I305 | P298-M301 WeakPolarHBondContact O-CB 3.3Å; P298-M301 PolarHBondContact O-N 3.49Å; E299-M301 VanDerWaalsContact C-N 3.28Å; E299-M301 PolarHBondContact O-N 3.33Å; M301-R303 PolarHBondContact O-N 2.93Å; M301-H304 WeakPolarHBondContact O-CB 3.22Å; M301-H304 PolarHBondContact O-N 3.15Å; M301-I305 HydrophobicContact CG-CD1 4.39Å; M301-I305 VanDerWaalsContact O-CG1 3.28Å; M301-I305 WeakPolarHBondContact O-CG1 3.46Å; M301-I305 PolarHBondContact O-N 2.99Å |
| 302 | M | 79.1 | Confident | 73.6 | Confident | 104 Ų | 104 | 119.6 Ų | 119.6 | 51% | 0.512 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.3 | -33.7 | 178.3 | -71.4 | -164.8 | -68.3 | 0 | 0 | 113.7 | P298 E299 R306 | P298-M302 PolarHBondContact O-N 3.27Å; E299-M302 PolarHBondContact O-N 3.24Å; M302-R306 PolarHBondContact O-N 3.46Å |
| 303 | R | 83.6 | Confident | 76.4 | Confident | 165 Ų | 165 | 120.3 Ų | 120.3 | 62% | 0.623 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.1 | -42.9 | 171.8 | -72.5 | -176.6 | -169.7 | 171.5 | 4.1 | 110.9 | E299 N300 M301 I305 R306 F307 | E299-R303 PolarHBondContact O-N 3.08Å; N300-R303 PolarHBondContact O-N 2.82Å; M301-R303 PolarHBondContact O-N 2.93Å; R303-I305 PolarHBondContact O-N 3.32Å; R303-R306 PolarHBondContact O-N 2.88Å; R303-F307 PolarHBondContact O-N 3.04Å |
| 304 | H | 84.9 | Confident | 78.8 | Confident | 109 Ų | 109 | 118.1 Ų | 118.1 | 51% | 0.505 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.6 | -42.8 | 177.7 | -169.4 | 64.1 | 0 | 0 | 0 | 112.2 | N300 M301 R306 F307 L308 | N300-H304 PolarHBondContact O-N 3.29Å; N300-H304 VanDerWaalsContact O-N 3.11Å; M301-H304 WeakPolarHBondContact O-CB 3.22Å; M301-H304 PolarHBondContact O-N 3.15Å; H304-R306 PolarHBondContact O-N 2.91Å; H304-F307 WeakPolarHBondContact O-CB 3.44Å; H304-F307 PolarHBondContact O-N 3.3Å; H304-L308 WeakPolarHBondContact O-CG 3.32Å; H304-L308 PolarHBondContact O-N 3.1Å |
| 305 | I | 86.4 | Confident | 81.1 | Confident | 83 Ų | 83 | 112.9 Ų | 112.9 | 43% | 0.426 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 177.2 | -68.6 | 163.8 | 0 | 0 | 0 | 112.1 | M301 R303 L308 K309 | M301-I305 HydrophobicContact CG-CD1 4.39Å; M301-I305 VanDerWaalsContact O-CG1 3.28Å; M301-I305 WeakPolarHBondContact O-CG1 3.46Å; M301-I305 PolarHBondContact O-N 2.99Å; R303-I305 PolarHBondContact O-N 3.32Å; I305-L308 PolarHBondContact O-N 2.96Å; I305-K309 WeakPolarHBondContact O-CG 3.26Å; I305-K309 PolarHBondContact O-N 3.28Å; I305-K309 VanDerWaalsContact O-N 3.11Å |
| 306 | R | 88.7 | Confident | 83.3 | Confident | 159 Ų | 159 | 111.1 Ų | 111.1 | 60% | 0.6 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.4 | -40.7 | 176.7 | -80.1 | -177.1 | -74.4 | 150.3 | -8.4 | 112.3 | M302 R303 H304 K309 N310 | M302-R306 PolarHBondContact O-N 3.46Å; R303-R306 PolarHBondContact O-N 2.88Å; H304-R306 PolarHBondContact O-N 2.91Å; R306-K309 PolarHBondContact O-N 3.49Å; R306-N310 PolarHBondContact O-N 3.33Å |
| 307 | F | 90 | Very high | 85.4 | Confident | 131 Ų | 131 | 111.1 Ų | 111.1 | 58% | 0.575 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.1 | -47.6 | 175.2 | 179.2 | -96.3 | 0 | 0 | 0 | 111.5 | R303 H304 K309 N310 E311 | R303-F307 PolarHBondContact O-N 3.04Å; H304-F307 WeakPolarHBondContact O-CB 3.44Å; H304-F307 PolarHBondContact O-N 3.3Å; F307-K309 VanDerWaalsContact C-N 3.32Å; F307-K309 PolarHBondContact O-N 3.29Å; F307-N310 PolarHBondContact O-N 2.97Å; F307-E311 WeakPolarHBondContact O-CB 3.48Å; F307-E311 PolarHBondContact O-N 3.46Å |
| 308 | L | 91.1 | Very high | 86.9 | Confident | 79 Ų | 79 | 110.7 Ų | 110.7 | 41% | 0.414 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60 | -39.3 | 177.4 | -70.9 | 175.7 | 0 | 0 | 0 | 112.6 | H304 I305 E311 V312 | H304-L308 WeakPolarHBondContact O-CG 3.32Å; H304-L308 PolarHBondContact O-N 3.1Å; I305-L308 PolarHBondContact O-N 2.96Å; L308-E311 PolarHBondContact O-N 3.4Å; L308-V312 WeakPolarHBondContact O-CB 3.31Å; L308-V312 VanDerWaalsContact O-CG2 3.25Å; L308-V312 WeakPolarHBondContact O-CG2 3.34Å; L308-V312 PolarHBondContact O-N 3.37Å |
| 309 | K | 90.9 | Very high | 88.3 | Confident | 147 Ų | 147 | 111 Ų | 111 | 64% | 0.639 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.2 | -47.2 | 177.2 | -76.4 | -178.6 | 175.9 | -175.7 | 0 | 112.4 | I305 R306 F307 E311 V312 E313 | I305-K309 WeakPolarHBondContact O-CG 3.26Å; I305-K309 PolarHBondContact O-N 3.28Å; I305-K309 VanDerWaalsContact O-N 3.11Å; R306-K309 PolarHBondContact O-N 3.49Å; F307-K309 VanDerWaalsContact C-N 3.32Å; F307-K309 PolarHBondContact O-N 3.29Å; K309-E311 VanDerWaalsContact C-N 3.31Å; K309-E311 PolarHBondContact O-N 2.99Å; K309-V312 PolarHBondContact O-N 3.15Å; K309-E313 PolarHBondContact O-N 2.9Å; K309-E313 VanDerWaalsContact O-N 3.09Å |
| 310 | N | 93.6 | Very high | 89.5 | Confident | 110 Ų | 110 | 113.5 Ų | 113.5 | 59% | 0.588 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.5 | -38.9 | 177.7 | -70 | -6.7 | 0 | 0 | 0 | 111.4 | R306 F307 E313 R314 | R306-N310 PolarHBondContact O-N 3.33Å; F307-N310 PolarHBondContact O-N 2.97Å; N310-E313 PolarHBondContact O-N 2.98Å; N310-R314 WeakPolarHBondContact O-CB 3.07Å; N310-R314 PolarHBondContact O-N 2.82Å |
| 311 | E | 93.6 | Very high | 90.4 | Very high | 57 Ų | 57 | 112.7 Ų | 112.7 | 27% | 0.266 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 178.2 | -176.2 | 60.4 | -172 | 0 | 0 | 111.8 | F307 L308 K309 E313 R314 L315 | F307-E311 WeakPolarHBondContact O-CB 3.48Å; F307-E311 PolarHBondContact O-N 3.46Å; L308-E311 PolarHBondContact O-N 3.4Å; K309-E311 VanDerWaalsContact C-N 3.31Å; K309-E311 PolarHBondContact O-N 2.99Å; E311-E313 VanDerWaalsContact C-N 3.33Å; E311-E313 PolarHBondContact O-N 3.41Å; E311-R314 PolarHBondContact O-N 3.43Å; E311-R314 IonicContact OE1-CZ 2.61Å; E311-R314 IonicContact OE1-NE 3.26Å; E311-R314 IonicContact OE1-NH2 3.4Å; E311-R314 PolarHBondContact OE1-NH2 2.9Å; E311-R314 IonicContact OE2-CZ 2.84Å; E311-R314 IonicContact OE2-NE 3.74Å; E311-R314 PolarHBondContact OE2-NE 2.92Å; E311-R314 IonicContact OE2-NH2 2.72Å; E311-R314 PolarHBondContact OE2-NH2 3.25Å; E311-L315 HydrophobicContact CG-CD1 4.21Å; E311-L315 WeakPolarHBondContact O-CB 3.27Å; E311-L315 VanDerWaalsContact O-CG 3.25Å; E311-L315 WeakPolarHBondContact O-CG 3.45Å; E311-L315 PolarHBondContact O-N 3.32Å |
| 312 | V | 93.4 | Very high | 91.1 | Very high | 73 Ų | 73 | 109.3 Ų | 109.3 | 44% | 0.442 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 173.5 | 167.7 | 0 | 0 | 0 | 0 | 111.6 | L308 K309 L315 K316 | L308-V312 WeakPolarHBondContact O-CB 3.31Å; L308-V312 VanDerWaalsContact O-CG2 3.25Å; L308-V312 WeakPolarHBondContact O-CG2 3.34Å; L308-V312 PolarHBondContact O-N 3.37Å; K309-V312 PolarHBondContact O-N 3.15Å; V312-L315 PolarHBondContact O-N 3.29Å; V312-K316 HydrophobicContact CG1-CD 4.24Å; V312-K316 WeakPolarHBondContact O-CB 3.4Å; V312-K316 VanDerWaalsContact O-CG 3.32Å; V312-K316 WeakPolarHBondContact O-CG 3.28Å; V312-K316 PolarHBondContact O-N 3.26Å |
| 313 | E | 94.6 | Very high | 91.8 | Very high | 137 Ų | 137 | 109.2 Ų | 109.2 | 64% | 0.64 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.3 | -40.5 | 177.9 | -168.3 | 166.3 | -161 | 0 | 0 | 112.1 | K309 N310 E311 K316 K317 | K309-E313 PolarHBondContact O-N 2.9Å; K309-E313 VanDerWaalsContact O-N 3.09Å; N310-E313 PolarHBondContact O-N 2.98Å; E311-E313 VanDerWaalsContact C-N 3.33Å; E311-E313 PolarHBondContact O-N 3.41Å; E313-K316 PolarHBondContact O-N 2.94Å; E313-K317 PolarHBondContact O-N 3.17Å |
| 314 | R | 95.4 | Very high | 92.4 | Very high | 132 Ų | 132 | 106.2 Ų | 106.2 | 50% | 0.498 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 172.6 | -168.7 | -170.1 | 70.6 | 76.1 | -0.3 | 111.6 | N310 E311 K316 K317 S318 | N310-R314 WeakPolarHBondContact O-CB 3.07Å; N310-R314 PolarHBondContact O-N 2.82Å; E311-R314 PolarHBondContact O-N 3.43Å; E311-R314 IonicContact OE1-CZ 2.61Å; E311-R314 IonicContact OE1-NE 3.26Å; E311-R314 IonicContact OE1-NH2 3.4Å; E311-R314 PolarHBondContact OE1-NH2 2.9Å; E311-R314 IonicContact OE2-CZ 2.84Å; E311-R314 IonicContact OE2-NE 3.74Å; E311-R314 PolarHBondContact OE2-NE 2.92Å; E311-R314 IonicContact OE2-NH2 2.72Å; E311-R314 PolarHBondContact OE2-NH2 3.25Å; R314-K316 PolarHBondContact O-N 3.44Å; R314-K317 PolarHBondContact O-N 2.95Å; R314-S318 WeakPolarHBondContact O-CB 3.48Å; R314-S318 PolarHBondContact O-N 3.45Å |
| 315 | L | 93.7 | Very high | 92.8 | Very high | 88 Ų | 88 | 106.1 Ų | 106.1 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 177.3 | -72.3 | 172.2 | 0 | 0 | 0 | 111.6 | E311 V312 K317 S318 L319 | E311-L315 HydrophobicContact CG-CD1 4.21Å; E311-L315 WeakPolarHBondContact O-CB 3.27Å; E311-L315 VanDerWaalsContact O-CG 3.25Å; E311-L315 WeakPolarHBondContact O-CG 3.45Å; E311-L315 PolarHBondContact O-N 3.32Å; V312-L315 PolarHBondContact O-N 3.29Å; L315-K317 VanDerWaalsContact C-N 3.34Å; L315-K317 PolarHBondContact O-N 2.99Å; L315-S318 PolarHBondContact O-N 2.94Å; L315-L319 WeakPolarHBondContact O-CB 3.48Å; L315-L319 PolarHBondContact O-N 3.39Å |
| 316 | K | 94.1 | Very high | 93.1 | Very high | 131 Ų | 131 | 108 Ų | 108 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.5 | -37.7 | 174.1 | -77.5 | 177 | 177.7 | -178.5 | 0 | 112.9 | V312 E313 R314 R320 | V312-K316 HydrophobicContact CG1-CD 4.24Å; V312-K316 WeakPolarHBondContact O-CB 3.4Å; V312-K316 VanDerWaalsContact O-CG 3.32Å; V312-K316 WeakPolarHBondContact O-CG 3.28Å; V312-K316 PolarHBondContact O-N 3.26Å; E313-K316 PolarHBondContact O-N 2.94Å; R314-K316 PolarHBondContact O-N 3.44Å; K316-R320 WeakPolarHBondContact O-CG 3.47Å; K316-R320 PolarHBondContact O-N 3.35Å |
| 317 | K | 94.8 | Very high | 93.4 | Very high | 145 Ų | 145 | 104.8 Ų | 104.8 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.4 | -40.6 | 174.8 | -166.9 | 177.3 | -179.3 | -179.4 | 0 | 111.5 | E313 R314 L315 L319 R320 T321 | E313-K317 PolarHBondContact O-N 3.17Å; R314-K317 PolarHBondContact O-N 2.95Å; L315-K317 VanDerWaalsContact C-N 3.34Å; L315-K317 PolarHBondContact O-N 2.99Å; K317-L319 VanDerWaalsContact C-N 3.34Å; K317-L319 PolarHBondContact O-N 2.92Å; K317-R320 PolarHBondContact O-N 3.35Å; K317-T321 WeakPolarHBondContact O-CG2 3.37Å; K317-T321 PolarHBondContact O-N 2.84Å; K317-T321 VanDerWaalsContact O-N 3.13Å; K317-T321 PolarHBondContact O-OG1 3.34Å |
| 318 | S | 92.3 | Very high | 93.6 | Very high | 55 Ų | 55 | 103.6 Ų | 103.6 | 39% | 0.385 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 175.2 | -163.1 | 0 | 0 | 0 | 0 | 112.3 | R314 L315 T321 T322 | R314-S318 WeakPolarHBondContact O-CB 3.48Å; R314-S318 PolarHBondContact O-N 3.45Å; L315-S318 PolarHBondContact O-N 2.94Å; S318-T321 WeakPolarHBondContact CA-OG1 3.33Å; S318-T321 PolarHBondContact O-OG1 2.94Å; S318-T322 WeakPolarHBondContact O-CB 3.27Å; S318-T322 PolarHBondContact O-N 2.61Å; S318-T322 VanDerWaalsContact O-N 3.08Å; S318-T322 PolarHBondContact O-OG1 2.94Å |
| 319 | L | 94.2 | Very high | 93.8 | Very high | 100 Ų | 100 | 105 Ų | 105 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.4 | -51.3 | 176.9 | -177.4 | 63 | 0 | 0 | 0 | 111.2 | L315 K317 T321 T322 E323 | L315-L319 WeakPolarHBondContact O-CB 3.48Å; L315-L319 PolarHBondContact O-N 3.39Å; K317-L319 VanDerWaalsContact C-N 3.34Å; K317-L319 PolarHBondContact O-N 2.92Å; L319-T321 VanDerWaalsContact C-N 3.31Å; L319-T321 PolarHBondContact O-N 2.99Å; L319-T322 WeakPolarHBondContact O-CB 3.35Å; L319-T322 PolarHBondContact O-N 2.91Å; L319-T322 VanDerWaalsContact O-N 3.1Å; L319-E323 HydrophobicContact CD1-CG 4.36Å; L319-E323 HydrophobicContact CG-CG 4.43Å; L319-E323 WeakPolarHBondContact O-CG 3.48Å; L319-E323 PolarHBondContact O-N 2.78Å |
| 320 | R | 95.9 | Very high | 93.7 | Very high | 166 Ų | 166 | 106.5 Ų | 106.5 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.3 | -40.3 | 179.2 | -75.3 | -173.1 | -73.3 | -176.2 | -2.1 | 113.3 | K316 K317 L324 | K316-R320 WeakPolarHBondContact O-CG 3.47Å; K316-R320 PolarHBondContact O-N 3.35Å; K317-R320 PolarHBondContact O-N 3.35Å; R320-L324 WeakPolarHBondContact O-CB 3.27Å; R320-L324 PolarHBondContact O-N 2.72Å |
| 321 | T | 92.5 | Very high | 93.6 | Very high | 68 Ų | 68 | 103.9 Ų | 103.9 | 42% | 0.417 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.7 | -40 | 177.1 | 46.5 | 0 | 0 | 0 | 0 | 111.8 | K317 S318 L319 L324 Q325 | K317-T321 WeakPolarHBondContact O-CG2 3.37Å; K317-T321 PolarHBondContact O-N 2.84Å; K317-T321 VanDerWaalsContact O-N 3.13Å; K317-T321 PolarHBondContact O-OG1 3.34Å; S318-T321 WeakPolarHBondContact CA-OG1 3.33Å; S318-T321 PolarHBondContact O-OG1 2.94Å; L319-T321 VanDerWaalsContact C-N 3.31Å; L319-T321 PolarHBondContact O-N 2.99Å; T321-L324 PolarHBondContact O-N 2.97Å; T321-Q325 WeakPolarHBondContact O-CB 3.48Å; T321-Q325 WeakPolarHBondContact O-CG 3.49Å; T321-Q325 PolarHBondContact O-N 3.44Å |
| 322 | T | 91.1 | Very high | 93.5 | Very high | 57 Ų | 57 | 106.4 Ų | 106.4 | 35% | 0.35 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 175.7 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | S318 L319 Q325 H326 | S318-T322 WeakPolarHBondContact O-CB 3.27Å; S318-T322 PolarHBondContact O-N 2.61Å; S318-T322 VanDerWaalsContact O-N 3.08Å; S318-T322 PolarHBondContact O-OG1 2.94Å; L319-T322 WeakPolarHBondContact O-CB 3.35Å; L319-T322 PolarHBondContact O-N 2.91Å; L319-T322 VanDerWaalsContact O-N 3.1Å; T322-Q325 PolarHBondContact O-N 2.88Å; T322-H326 WeakPolarHBondContact O-CB 3.29Å; T322-H326 PolarHBondContact O-CD2 3.02Å; T322-H326 PolarHBondContact O-N 3.38Å |
| 323 | E | 93.3 | Very high | 93.4 | Very high | 102 Ų | 102 | 110.4 Ų | 110.4 | 48% | 0.477 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 175.3 | -72.8 | 172.6 | 160.2 | 0 | 0 | 112.3 | L319 H326 T327 | L319-E323 HydrophobicContact CD1-CG 4.36Å; L319-E323 HydrophobicContact CG-CG 4.43Å; L319-E323 WeakPolarHBondContact O-CG 3.48Å; L319-E323 PolarHBondContact O-N 2.78Å; E323-H326 PolarHBondContact O-N 3.47Å; E323-T327 WeakPolarHBondContact O-CB 3.3Å; E323-T327 PolarHBondContact O-N 3.41Å; E323-T327 PolarHBondContact O-OG1 2.89Å |
| 324 | L | 95.8 | Very high | 93.4 | Very high | 102 Ų | 102 | 108.9 Ų | 108.9 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 176.1 | -175.8 | 65.9 | 0 | 0 | 0 | 111.1 | R320 T321 H326 T327 E328 | R320-L324 WeakPolarHBondContact O-CB 3.27Å; R320-L324 PolarHBondContact O-N 2.72Å; T321-L324 PolarHBondContact O-N 2.97Å; L324-H326 VanDerWaalsContact C-N 3.32Å; L324-H326 PolarHBondContact O-N 2.88Å; L324-T327 WeakPolarHBondContact O-CB 3.42Å; L324-T327 PolarHBondContact O-N 3.35Å; L324-T327 VanDerWaalsContact O-N 3.08Å; L324-E328 PolarHBondContact O-N 2.88Å |
| 325 | Q | 92.9 | Very high | 93.3 | Very high | 107 Ų | 107 | 106 Ų | 106 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -39 | 177 | -75.7 | -177.1 | -4.1 | 0 | 0 | 112.5 | T321 T322 T327 K329 | T321-Q325 WeakPolarHBondContact O-CB 3.48Å; T321-Q325 WeakPolarHBondContact O-CG 3.49Å; T321-Q325 PolarHBondContact O-N 3.44Å; T322-Q325 PolarHBondContact O-N 2.88Å; Q325-T327 VanDerWaalsContact C-N 3.32Å; Q325-K329 WeakPolarHBondContact O-CB 3.43Å; Q325-K329 VanDerWaalsContact O-CG 3.28Å; Q325-K329 WeakPolarHBondContact O-CG 3.31Å; Q325-K329 PolarHBondContact O-N 3.03Å |
| 326 | H | 94.1 | Very high | 93.1 | Very high | 121 Ų | 121 | 106.8 Ų | 106.8 | 56% | 0.56 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.2 | -37.6 | 174.2 | -87.9 | -67.5 | 0 | 0 | 0 | 112.2 | T322 E323 L324 R330 | T322-H326 WeakPolarHBondContact O-CB 3.29Å; T322-H326 PolarHBondContact O-CD2 3.02Å; T322-H326 PolarHBondContact O-N 3.38Å; E323-H326 PolarHBondContact O-N 3.47Å; L324-H326 VanDerWaalsContact C-N 3.32Å; L324-H326 PolarHBondContact O-N 2.88Å; H326-R330 WeakPolarHBondContact O-CB 3.43Å; H326-R330 PolarHBondContact O-N 3.35Å |
| 327 | T | 94.5 | Very high | 92.8 | Very high | 92 Ų | 92 | 105.3 Ų | 105.3 | 56% | 0.564 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.5 | -46.2 | 178.2 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | E323 L324 Q325 R330 A331 | E323-T327 WeakPolarHBondContact O-CB 3.3Å; E323-T327 PolarHBondContact O-N 3.41Å; E323-T327 PolarHBondContact O-OG1 2.89Å; L324-T327 WeakPolarHBondContact O-CB 3.42Å; L324-T327 PolarHBondContact O-N 3.35Å; L324-T327 VanDerWaalsContact O-N 3.08Å; Q325-T327 VanDerWaalsContact C-N 3.32Å; T327-R330 PolarHBondContact O-N 3.28Å; T327-A331 PolarHBondContact O-N 2.94Å |
| 328 | E | 93.9 | Very high | 92.8 | Very high | 106 Ų | 106 | 103.9 Ų | 103.9 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 174.9 | -78.6 | -178.8 | 171.3 | 0 | 0 | 112.1 | L324 R330 A331 Q332 | L324-E328 PolarHBondContact O-N 2.88Å; E328-R330 VanDerWaalsContact C-N 3.29Å; E328-R330 PolarHBondContact O-N 3.17Å; E328-A331 WeakPolarHBondContact O-CB 3.19Å; E328-A331 PolarHBondContact O-N 3.17Å; E328-A331 VanDerWaalsContact O-N 3.13Å; E328-Q332 WeakPolarHBondContact O-CG 3.36Å; E328-Q332 PolarHBondContact O-N 3.11Å |
| 329 | K | 94.3 | Very high | 92.9 | Very high | 108 Ų | 108 | 106.3 Ų | 106.3 | 47% | 0.47 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60 | -40.3 | 175.6 | -77.3 | 177.2 | -178.9 | 175.7 | 0 | 112 | Q325 A331 Q332 Y333 | Q325-K329 WeakPolarHBondContact O-CB 3.43Å; Q325-K329 VanDerWaalsContact O-CG 3.28Å; Q325-K329 WeakPolarHBondContact O-CG 3.31Å; Q325-K329 PolarHBondContact O-N 3.03Å; K329-A331 VanDerWaalsContact C-N 3.34Å; K329-Q332 PolarHBondContact O-N 3.01Å; K329-Y333 WeakPolarHBondContact O-CD2 3.49Å; K329-Y333 PolarHBondContact O-N 2.95Å |
| 330 | R | 89 | Confident | 92.7 | Very high | 179 Ų | 179 | 107.5 Ų | 107.5 | 68% | 0.675 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.6 | -42.9 | 175.3 | -172 | -174.4 | -60.3 | -160.2 | 0.9 | 111.3 | H326 T327 E328 Y333 I334 | H326-R330 WeakPolarHBondContact O-CB 3.43Å; H326-R330 PolarHBondContact O-N 3.35Å; T327-R330 PolarHBondContact O-N 3.28Å; E328-R330 VanDerWaalsContact C-N 3.29Å; E328-R330 PolarHBondContact O-N 3.17Å; R330-Y333 PolarHBondContact O-N 2.86Å; R330-I334 HydrophobicContact CG-CD1 4.29Å; R330-I334 WeakPolarHBondContact O-CG1 3.34Å; R330-I334 PolarHBondContact O-N 3.13Å; R330-I334 VanDerWaalsContact O-N 3.17Å |
| 331 | A | 92.2 | Very high | 92.6 | Very high | 56 Ų | 56 | 105.8 Ų | 105.8 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | T327 E328 K329 I334 E335 | T327-A331 PolarHBondContact O-N 2.94Å; E328-A331 WeakPolarHBondContact O-CB 3.19Å; E328-A331 PolarHBondContact O-N 3.17Å; E328-A331 VanDerWaalsContact O-N 3.13Å; K329-A331 VanDerWaalsContact C-N 3.34Å; A331-I334 PolarHBondContact O-N 2.65Å; A331-E335 PolarHBondContact O-N 3.22Å |
| 332 | Q | 92.1 | Very high | 92.8 | Very high | 110 Ų | 110 | 107.6 Ų | 107.6 | 51% | 0.514 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 174.6 | -72.8 | 171.3 | 0.6 | 0 | 0 | 111.8 | E328 K329 I334 E335 E336 | E328-Q332 WeakPolarHBondContact O-CG 3.36Å; E328-Q332 PolarHBondContact O-N 3.11Å; K329-Q332 PolarHBondContact O-N 3.01Å; Q332-I334 VanDerWaalsContact C-N 3.3Å; Q332-I334 PolarHBondContact O-N 2.65Å; Q332-E335 PolarHBondContact O-N 3.14Å; Q332-E335 VanDerWaalsContact O-N 3.17Å; Q332-E336 WeakPolarHBondContact O-CG 3.38Å; Q332-E336 PolarHBondContact O-N 3.05Å |
| 333 | Y | 90.4 | Very high | 92.9 | Very high | 157 Ų | 157 | 109.6 Ų | 109.6 | 62% | 0.616 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.2 | -37.9 | 177.1 | -72.4 | -52.4 | 0 | 0 | 0 | 113.2 | K329 R330 E335 E337 | K329-Y333 WeakPolarHBondContact O-CD2 3.49Å; K329-Y333 PolarHBondContact O-N 2.95Å; R330-Y333 PolarHBondContact O-N 2.86Å; Y333-E335 VanDerWaalsContact C-N 3.35Å; Y333-E337 VanDerWaalsContact O-CB 3.27Å; Y333-E337 WeakPolarHBondContact O-CB 3.46Å; Y333-E337 PolarHBondContact O-N 3.34Å |
| 334 | I | 94.4 | Very high | 92.9 | Very high | 105 Ų | 105 | 109.6 Ų | 109.6 | 54% | 0.538 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 176.8 | -68.2 | 165.7 | 0 | 0 | 0 | 110.6 | R330 A331 Q332 R338 | R330-I334 HydrophobicContact CG-CD1 4.29Å; R330-I334 WeakPolarHBondContact O-CG1 3.34Å; R330-I334 PolarHBondContact O-N 3.13Å; R330-I334 VanDerWaalsContact O-N 3.17Å; A331-I334 PolarHBondContact O-N 2.65Å; Q332-I334 VanDerWaalsContact C-N 3.3Å; Q332-I334 PolarHBondContact O-N 2.65Å; I334-R338 PolarHBondContact O-N 3.32Å |
| 335 | E | 94.3 | Very high | 92.9 | Very high | 70 Ų | 70 | 108.8 Ų | 108.8 | 33% | 0.327 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67 | -46.7 | 178.5 | -175.2 | 60.6 | -151.2 | 0 | 0 | 112 | A331 Q332 Y333 E337 R338 Q339 | A331-E335 PolarHBondContact O-N 3.22Å; Q332-E335 PolarHBondContact O-N 3.14Å; Q332-E335 VanDerWaalsContact O-N 3.17Å; Y333-E335 VanDerWaalsContact C-N 3.35Å; E335-E337 VanDerWaalsContact C-N 3.33Å; E335-E337 PolarHBondContact O-N 3.42Å; E335-R338 VanDerWaalsContact CD-NH1 3.35Å; E335-R338 WeakPolarHBondContact O-CB 3.46Å; E335-R338 PolarHBondContact O-N 3.41Å; E335-R338 VanDerWaalsContact O-N 3.11Å; E335-R338 IonicContact OE1-CZ 3.79Å; E335-R338 IonicContact OE1-NH1 3.36Å; E335-R338 PolarHBondContact OE1-NH1 3.2Å; E335-R338 IonicContact OE1-NH2 3.9Å; E335-R338 PolarHBondContact OE1-NH2 3.4Å; E335-R338 IonicContact OE2-CZ 3.54Å; E335-R338 IonicContact OE2-NH1 2.68Å; E335-R338 PolarHBondContact OE2-NH1 2.94Å; E335-R338 IonicContact OE2-NH2 3.69Å; E335-Q339 WeakPolarHBondContact O-CG 3.4Å; E335-Q339 PolarHBondContact O-N 3.44Å; E335-Q339 PolarHBondContact OE1-NE2 3.08Å |
| 336 | E | 89.3 | Confident | 93.1 | Very high | 106 Ų | 106 | 111.1 Ų | 111.1 | 50% | 0.495 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 175 | -73.3 | 176.4 | -178.5 | 0 | 0 | 111.3 | Q332 R338 Q339 M340 | Q332-E336 WeakPolarHBondContact O-CG 3.38Å; Q332-E336 PolarHBondContact O-N 3.05Å; E336-R338 VanDerWaalsContact C-N 3.28Å; E336-R338 PolarHBondContact O-N 3.42Å; E336-Q339 PolarHBondContact O-N 2.84Å; E336-M340 WeakPolarHBondContact O-CB 3.43Å; E336-M340 VanDerWaalsContact O-CG 3.3Å; E336-M340 WeakPolarHBondContact O-CG 3.44Å; E336-M340 PolarHBondContact O-N 3.41Å |
| 337 | E | 87.9 | Confident | 93.1 | Very high | 99 Ų | 99 | 109.6 Ų | 109.6 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -33 | 176.9 | -157.8 | -162 | -169.2 | 0 | 0 | 111.9 | Y333 E335 R341 | Y333-E337 VanDerWaalsContact O-CB 3.27Å; Y333-E337 WeakPolarHBondContact O-CB 3.46Å; Y333-E337 PolarHBondContact O-N 3.34Å; E335-E337 VanDerWaalsContact C-N 3.33Å; E335-E337 PolarHBondContact O-N 3.42Å; E337-R341 VanDerWaalsContact CG-NH1 3.34Å; E337-R341 VanDerWaalsContact O-CG 3.31Å; E337-R341 WeakPolarHBondContact O-CG 3.34Å; E337-R341 PolarHBondContact O-N 2.94Å; E337-R341 VanDerWaalsContact O-N 3.15Å; E337-R341 PolarHBondContact O-NH1 3.27Å; E337-R341 IonicContact OE1-CZ 3.46Å; E337-R341 IonicContact OE1-NH1 2.64Å; E337-R341 IonicContact OE1-NH2 3.5Å; E337-R341 PolarHBondContact OE1-NH2 2.87Å; E337-R341 IonicContact OE2-CZ 3.97Å; E337-R341 VanDerWaalsContact OE2-CZ 3.26Å; E337-R341 IonicContact OE2-NH1 3.3Å; E337-R341 PolarHBondContact OE2-NH1 3.37Å; E337-R341 IonicContact OE2-NH2 3.57Å; E337-R341 PolarHBondContact OE2-NH2 3.16Å |
| 338 | R | 95.1 | Very high | 93.1 | Very high | 116 Ų | 116 | 111.1 Ų | 111.1 | 44% | 0.438 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.4 | -47.7 | 172.9 | -163.6 | -174.6 | 83.3 | -128.2 | -10.4 | 111 | I334 E335 E336 M340 R341 E342 | I334-R338 PolarHBondContact O-N 3.32Å; E335-R338 VanDerWaalsContact CD-NH1 3.35Å; E335-R338 WeakPolarHBondContact O-CB 3.46Å; E335-R338 PolarHBondContact O-N 3.41Å; E335-R338 VanDerWaalsContact O-N 3.11Å; E335-R338 IonicContact OE1-CZ 3.79Å; E335-R338 IonicContact OE1-NH1 3.36Å; E335-R338 PolarHBondContact OE1-NH1 3.2Å; E335-R338 IonicContact OE1-NH2 3.9Å; E335-R338 PolarHBondContact OE1-NH2 3.4Å; E335-R338 IonicContact OE2-CZ 3.54Å; E335-R338 IonicContact OE2-NH1 2.68Å; E335-R338 PolarHBondContact OE2-NH1 2.94Å; E335-R338 IonicContact OE2-NH2 3.69Å; E336-R338 VanDerWaalsContact C-N 3.28Å; E336-R338 PolarHBondContact O-N 3.42Å; R338-M340 PolarHBondContact O-N 2.86Å; R338-R341 PolarHBondContact O-N 2.85Å; R338-R341 VanDerWaalsContact O-N 3.17Å; R338-E342 WeakPolarHBondContact CD-OE1 3.46Å; R338-E342 WeakPolarHBondContact CG-OE1 3.45Å; R338-E342 IonicContact CZ-OE1 2.83Å; R338-E342 IonicContact NE-OE1 2.86Å; R338-E342 PolarHBondContact NE-OE1 2.85Å; R338-E342 WeakPolarHBondContact O-CG 3.41Å; R338-E342 PolarHBondContact O-N 2.99Å |
| 339 | Q | 92.9 | Very high | 93.3 | Very high | 106 Ų | 106 | 113.7 Ų | 113.7 | 50% | 0.495 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 178.9 | -69.9 | 177.1 | 11.7 | 0 | 0 | 111.6 | E335 E336 R341 E342 E343 | E335-Q339 WeakPolarHBondContact O-CG 3.4Å; E335-Q339 PolarHBondContact O-N 3.44Å; E335-Q339 PolarHBondContact OE1-NE2 3.08Å; E336-Q339 PolarHBondContact O-N 2.84Å; Q339-R341 VanDerWaalsContact C-N 3.31Å; Q339-R341 PolarHBondContact O-N 3.18Å; Q339-E342 PolarHBondContact O-N 3.33Å; Q339-E343 WeakPolarHBondContact O-CB 3.28Å; Q339-E343 PolarHBondContact O-N 3.23Å |
| 340 | M | 90.2 | Very high | 93.4 | Very high | 125 Ų | 125 | 113.7 Ų | 113.7 | 62% | 0.616 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.8 | -40 | 176 | -72 | -61.3 | -57.5 | 0 | 0 | 112.3 | E336 R338 N344 | E336-M340 WeakPolarHBondContact O-CB 3.43Å; E336-M340 VanDerWaalsContact O-CG 3.3Å; E336-M340 WeakPolarHBondContact O-CG 3.44Å; E336-M340 PolarHBondContact O-N 3.41Å; R338-M340 PolarHBondContact O-N 2.86Å; M340-N344 VanDerWaalsContact O-CB 3.26Å; M340-N344 WeakPolarHBondContact O-CB 3.45Å; M340-N344 PolarHBondContact O-N 2.89Å |
| 341 | R | 94.3 | Very high | 93.7 | Very high | 130 Ų | 130 | 110.3 Ų | 110.3 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.1 | -44.3 | 175.7 | -75.2 | -178 | -168.7 | 106.6 | -9.9 | 112.3 | E337 R338 Q339 N344 I345 | E337-R341 VanDerWaalsContact CG-NH1 3.34Å; E337-R341 VanDerWaalsContact O-CG 3.31Å; E337-R341 WeakPolarHBondContact O-CG 3.34Å; E337-R341 PolarHBondContact O-N 2.94Å; E337-R341 VanDerWaalsContact O-N 3.15Å; E337-R341 PolarHBondContact O-NH1 3.27Å; E337-R341 IonicContact OE1-CZ 3.46Å; E337-R341 IonicContact OE1-NH1 2.64Å; E337-R341 IonicContact OE1-NH2 3.5Å; E337-R341 PolarHBondContact OE1-NH2 2.87Å; E337-R341 IonicContact OE2-CZ 3.97Å; E337-R341 VanDerWaalsContact OE2-CZ 3.26Å; E337-R341 IonicContact OE2-NH1 3.3Å; E337-R341 PolarHBondContact OE2-NH1 3.37Å; E337-R341 IonicContact OE2-NH2 3.57Å; E337-R341 PolarHBondContact OE2-NH2 3.16Å; R338-R341 PolarHBondContact O-N 2.85Å; R338-R341 VanDerWaalsContact O-N 3.17Å; Q339-R341 VanDerWaalsContact C-N 3.31Å; Q339-R341 PolarHBondContact O-N 3.18Å; R341-N344 PolarHBondContact O-N 2.9Å; R341-I345 WeakPolarHBondContact O-CG1 3.49Å; R341-I345 PolarHBondContact O-N 3.08Å |
| 342 | E | 96.4 | Very high | 93.9 | Very high | 105 Ų | 105 | 112.3 Ų | 112.3 | 49% | 0.491 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 178.5 | -73.4 | 174.5 | -161.2 | 0 | 0 | 111.3 | R338 Q339 I345 R346 | R338-E342 WeakPolarHBondContact CD-OE1 3.46Å; R338-E342 WeakPolarHBondContact CG-OE1 3.45Å; R338-E342 IonicContact CZ-OE1 2.83Å; R338-E342 IonicContact NE-OE1 2.86Å; R338-E342 PolarHBondContact NE-OE1 2.85Å; R338-E342 WeakPolarHBondContact O-CG 3.41Å; R338-E342 PolarHBondContact O-N 2.99Å; Q339-E342 PolarHBondContact O-N 3.33Å; E342-I345 PolarHBondContact O-N 3.38Å; E342-R346 WeakPolarHBondContact O-CB 3.27Å; E342-R346 PolarHBondContact O-N 2.74Å |
| 343 | E | 92.7 | Very high | 94 | Very high | 100 Ų | 100 | 114.1 Ų | 114.1 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 174.8 | -171.8 | 175.7 | -168.9 | 0 | 0 | 111.5 | Q339 I345 R346 L347 | Q339-E343 WeakPolarHBondContact O-CB 3.28Å; Q339-E343 PolarHBondContact O-N 3.23Å; E343-I345 VanDerWaalsContact C-N 3.35Å; E343-I345 PolarHBondContact O-N 3.38Å; E343-R346 WeakPolarHBondContact O-CB 3.31Å; E343-R346 PolarHBondContact O-N 2.85Å; E343-R346 VanDerWaalsContact O-N 3.12Å; E343-L347 HydrophobicContact CG-CD1 4.06Å; E343-L347 HydrophobicContact CG-CG 4.26Å; E343-L347 WeakPolarHBondContact O-CB 3.43Å; E343-L347 WeakPolarHBondContact O-CG 3.37Å; E343-L347 PolarHBondContact O-N 3.39Å |
| 344 | N | 93.6 | Very high | 94.3 | Very high | 102 Ų | 102 | 111.3 Ų | 111.3 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.7 | -45.5 | 176.8 | -166.4 | -87.6 | 0 | 0 | 0 | 111.8 | M340 R341 R346 L347 Q348 | M340-N344 VanDerWaalsContact O-CB 3.26Å; M340-N344 WeakPolarHBondContact O-CB 3.45Å; M340-N344 PolarHBondContact O-N 2.89Å; R341-N344 PolarHBondContact O-N 2.9Å; N344-R346 VanDerWaalsContact C-N 3.33Å; N344-R346 PolarHBondContact O-N 2.86Å; N344-L347 PolarHBondContact O-N 2.96Å; N344-Q348 WeakPolarHBondContact O-CB 3.29Å; N344-Q348 PolarHBondContact O-N 2.79Å |
| 345 | I | 97.2 | Very high | 94.2 | Very high | 84 Ų | 84 | 111.5 Ų | 111.5 | 43% | 0.431 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 175.3 | -68.8 | 168.4 | 0 | 0 | 0 | 110.8 | R341 E342 E343 Q348 R349 | R341-I345 WeakPolarHBondContact O-CG1 3.49Å; R341-I345 PolarHBondContact O-N 3.08Å; E342-I345 PolarHBondContact O-N 3.38Å; E343-I345 VanDerWaalsContact C-N 3.35Å; E343-I345 PolarHBondContact O-N 3.38Å; I345-Q348 PolarHBondContact O-N 2.96Å; I345-R349 WeakPolarHBondContact O-CG 3.43Å; I345-R349 PolarHBondContact O-N 3.46Å |
| 346 | R | 97.1 | Very high | 94.2 | Very high | 157 Ų | 157 | 112.9 Ų | 112.9 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.8 | -44.9 | 178.1 | -178 | -175.8 | 172.6 | -161.5 | -2.6 | 111.5 | E342 E343 N344 R349 K350 | E342-R346 WeakPolarHBondContact O-CB 3.27Å; E342-R346 PolarHBondContact O-N 2.74Å; E343-R346 WeakPolarHBondContact O-CB 3.31Å; E343-R346 PolarHBondContact O-N 2.85Å; E343-R346 VanDerWaalsContact O-N 3.12Å; N344-R346 VanDerWaalsContact C-N 3.33Å; N344-R346 PolarHBondContact O-N 2.86Å; R346-R349 PolarHBondContact O-N 2.64Å; R346-K350 PolarHBondContact O-N 2.94Å |
| 347 | L | 94.4 | Very high | 94.6 | Very high | 88 Ų | 88 | 114.5 Ų | 114.5 | 46% | 0.461 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 177.5 | -71.4 | 174.9 | 0 | 0 | 0 | 111.2 | E343 N344 R349 K350 L351 | E343-L347 HydrophobicContact CG-CD1 4.06Å; E343-L347 HydrophobicContact CG-CG 4.26Å; E343-L347 WeakPolarHBondContact O-CB 3.43Å; E343-L347 WeakPolarHBondContact O-CG 3.37Å; E343-L347 PolarHBondContact O-N 3.39Å; N344-L347 PolarHBondContact O-N 2.96Å; L347-R349 VanDerWaalsContact C-N 3.31Å; L347-R349 PolarHBondContact O-N 2.83Å; L347-K350 WeakPolarHBondContact O-CB 3.25Å; L347-K350 PolarHBondContact O-N 3.08Å; L347-K350 VanDerWaalsContact O-N 3.07Å; L347-L351 WeakPolarHBondContact O-CB 3.4Å; L347-L351 PolarHBondContact O-N 3.5Å |
| 348 | Q | 94.4 | Very high | 95 | Very high | 125 Ų | 125 | 118.5 Ų | 118.5 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.7 | -40.8 | 176.7 | -164.6 | 173.4 | 22.5 | 0 | 0 | 111.7 | N344 I345 L351 Q352 | N344-Q348 WeakPolarHBondContact O-CB 3.29Å; N344-Q348 PolarHBondContact O-N 2.79Å; I345-Q348 PolarHBondContact O-N 2.96Å; Q348-L351 PolarHBondContact O-N 3.13Å; Q348-Q352 WeakPolarHBondContact O-CB 3.35Å; Q348-Q352 PolarHBondContact O-N 2.99Å |
| 349 | R | 97.4 | Very high | 95.1 | Very high | 159 Ų | 159 | 118 Ų | 118 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.3 | -36.2 | 173.1 | -72.9 | 175.4 | 178.8 | 173.3 | 0.7 | 113 | I345 R346 L347 R353 | I345-R349 WeakPolarHBondContact O-CG 3.43Å; I345-R349 PolarHBondContact O-N 3.46Å; R346-R349 PolarHBondContact O-N 2.64Å; L347-R349 VanDerWaalsContact C-N 3.31Å; L347-R349 PolarHBondContact O-N 2.83Å; R349-R353 WeakPolarHBondContact O-CG 3.48Å; R349-R353 PolarHBondContact O-N 3.39Å; R349-R353 PolarHBondContact O-NH1 2.9Å; R349-R353 VanDerWaalsContact O-NH1 3.08Å |
| 350 | K | 95.5 | Very high | 95.2 | Very high | 109 Ų | 109 | 115 Ų | 115 | 47% | 0.474 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67 | -46.8 | 175 | -77.2 | -177.3 | 173.6 | -173.3 | 0 | 110.8 | R346 L347 Q352 R353 E354 | R346-K350 PolarHBondContact O-N 2.94Å; L347-K350 WeakPolarHBondContact O-CB 3.25Å; L347-K350 PolarHBondContact O-N 3.08Å; L347-K350 VanDerWaalsContact O-N 3.07Å; K350-Q352 VanDerWaalsContact C-N 3.3Å; K350-Q352 PolarHBondContact O-N 3.1Å; K350-R353 PolarHBondContact O-N 3.5Å; K350-E354 PolarHBondContact O-N 2.97Å |
| 351 | L | 95.5 | Very high | 95.4 | Very high | 107 Ų | 107 | 112.3 Ų | 112.3 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -56.8 | -45.7 | 176.3 | 178.9 | 62.3 | 0 | 0 | 0 | 111.2 | L347 Q348 R353 E354 M355 | L347-L351 WeakPolarHBondContact O-CB 3.4Å; L347-L351 PolarHBondContact O-N 3.5Å; Q348-L351 PolarHBondContact O-N 3.13Å; L351-R353 PolarHBondContact O-N 2.97Å; L351-E354 PolarHBondContact O-N 3.44Å; L351-M355 HydrophobicContact CD1-CG 4.41Å; L351-M355 HydrophobicContact CG-SD 4.35Å; L351-M355 WeakPolarHBondContact O-CG 3.45Å; L351-M355 PolarHBondContact O-N 2.8Å |
| 352 | Q | 96.1 | Very high | 95.2 | Very high | 98 Ų | 98 | 109.1 Ų | 109.1 | 46% | 0.458 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.1 | -45.8 | 177.5 | -176.4 | 61.9 | 28.5 | 0 | 0 | 112.3 | Q348 K350 E354 M355 E356 | Q348-Q352 WeakPolarHBondContact O-CB 3.35Å; Q348-Q352 PolarHBondContact O-N 2.99Å; K350-Q352 VanDerWaalsContact C-N 3.3Å; K350-Q352 PolarHBondContact O-N 3.1Å; Q352-E354 VanDerWaalsContact C-N 3.34Å; Q352-E354 PolarHBondContact O-N 3.3Å; Q352-M355 PolarHBondContact O-N 3.34Å; Q352-E356 WeakPolarHBondContact CG-OE1 3.48Å; Q352-E356 PolarHBondContact NE2-OE1 3.26Å; Q352-E356 WeakPolarHBondContact O-CG 3.42Å; Q352-E356 PolarHBondContact O-N 3.48Å |
| 353 | R | 95.8 | Very high | 95.1 | Very high | 148 Ų | 148 | 109.9 Ų | 109.9 | 56% | 0.558 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.4 | -37.9 | 176.6 | -70.3 | -171.3 | -156.1 | 87.6 | -7.6 | 112.6 | R349 K350 L351 E356 R357 | R349-R353 WeakPolarHBondContact O-CG 3.48Å; R349-R353 PolarHBondContact O-N 3.39Å; R349-R353 PolarHBondContact O-NH1 2.9Å; R349-R353 VanDerWaalsContact O-NH1 3.08Å; K350-R353 PolarHBondContact O-N 3.5Å; L351-R353 PolarHBondContact O-N 2.97Å; R353-E356 PolarHBondContact O-N 3.5Å; R353-R357 WeakPolarHBondContact O-CB 3.46Å; R353-R357 PolarHBondContact O-N 3.03Å |
| 354 | E | 95.3 | Very high | 95.3 | Very high | 99 Ų | 99 | 110.6 Ų | 110.6 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.2 | -37.1 | 177.4 | -163.9 | 59 | -142.6 | 0 | 0 | 111.4 | K350 L351 Q352 R357 R358 | K350-E354 PolarHBondContact O-N 2.97Å; L351-E354 PolarHBondContact O-N 3.44Å; Q352-E354 VanDerWaalsContact C-N 3.34Å; Q352-E354 PolarHBondContact O-N 3.3Å; E354-R357 PolarHBondContact O-N 2.85Å; E354-R357 IonicContact OE1-CZ 2.65Å; E354-R357 IonicContact OE1-NE 3.57Å; E354-R357 PolarHBondContact OE1-NE 3.38Å; E354-R357 IonicContact OE1-NH2 3.45Å; E354-R357 PolarHBondContact OE1-NH2 3.11Å; E354-R357 IonicContact OE2-NE 2.65Å; E354-R358 WeakPolarHBondContact O-CB 3.39Å; E354-R358 PolarHBondContact O-N 2.8Å |
| 355 | M | 93.1 | Very high | 95.1 | Very high | 109 Ų | 109 | 111 Ų | 111 | 54% | 0.537 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 171.4 | -72.9 | -175.8 | 63.5 | 0 | 0 | 111.6 | L351 Q352 R357 R358 E359 | L351-M355 HydrophobicContact CD1-CG 4.41Å; L351-M355 HydrophobicContact CG-SD 4.35Å; L351-M355 WeakPolarHBondContact O-CG 3.45Å; L351-M355 PolarHBondContact O-N 2.8Å; Q352-M355 PolarHBondContact O-N 3.34Å; M355-R357 VanDerWaalsContact C-N 3.33Å; M355-R357 PolarHBondContact O-N 2.98Å; M355-R358 PolarHBondContact O-N 3.2Å; M355-E359 WeakPolarHBondContact O-CB 3.47Å; M355-E359 PolarHBondContact O-N 3.22Å |
| 356 | E | 95.2 | Very high | 94.7 | Very high | 99 Ų | 99 | 110.4 Ų | 110.4 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 176.4 | -74.6 | 166.7 | -168.7 | 0 | 0 | 111.8 | Q352 R353 E359 A360 | Q352-E356 WeakPolarHBondContact CG-OE1 3.48Å; Q352-E356 PolarHBondContact NE2-OE1 3.26Å; Q352-E356 WeakPolarHBondContact O-CG 3.42Å; Q352-E356 PolarHBondContact O-N 3.48Å; R353-E356 PolarHBondContact O-N 3.5Å; E356-E359 PolarHBondContact O-N 2.84Å; E356-A360 VanDerWaalsContact O-CB 3.31Å; E356-A360 WeakPolarHBondContact O-CB 3.32Å; E356-A360 PolarHBondContact O-N 3.1Å |
| 357 | R | 97.5 | Very high | 94.4 | Very high | 140 Ų | 140 | 108.5 Ų | 108.5 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 175.4 | -163.8 | -172.1 | 86.2 | 86.4 | -0.7 | 111.4 | R353 E354 M355 A360 L361 | R353-R357 WeakPolarHBondContact O-CB 3.46Å; R353-R357 PolarHBondContact O-N 3.03Å; E354-R357 PolarHBondContact O-N 2.85Å; E354-R357 IonicContact OE1-CZ 2.65Å; E354-R357 IonicContact OE1-NE 3.57Å; E354-R357 PolarHBondContact OE1-NE 3.38Å; E354-R357 IonicContact OE1-NH2 3.45Å; E354-R357 PolarHBondContact OE1-NH2 3.11Å; E354-R357 IonicContact OE2-NE 2.65Å; M355-R357 VanDerWaalsContact C-N 3.33Å; M355-R357 PolarHBondContact O-N 2.98Å; R357-A360 PolarHBondContact O-N 3.43Å; R357-L361 WeakPolarHBondContact O-CG 3.39Å; R357-L361 PolarHBondContact O-N 3.32Å |
| 358 | R | 96.3 | Very high | 94.2 | Very high | 182 Ų | 182 | 107.9 Ų | 107.9 | 69% | 0.687 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.6 | -42.6 | 177.1 | -179 | 178.2 | 175.4 | 155.1 | 0.9 | 111.7 | E354 M355 L361 C362 | E354-R358 WeakPolarHBondContact O-CB 3.39Å; E354-R358 PolarHBondContact O-N 2.8Å; M355-R358 PolarHBondContact O-N 3.2Å; R358-L361 PolarHBondContact O-N 2.79Å; R358-C362 PolarHBondContact O-N 3.49Å; R358-C362 PolarHBondContact O-SG 3.39Å |
| 359 | E | 95.5 | Very high | 93.8 | Very high | 107 Ų | 107 | 108.4 Ų | 108.4 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 178.4 | -167.8 | -172.3 | 149.1 | 0 | 0 | 111.3 | M355 E356 L361 C362 R363 | M355-E359 WeakPolarHBondContact O-CB 3.47Å; M355-E359 PolarHBondContact O-N 3.22Å; E356-E359 PolarHBondContact O-N 2.84Å; E359-L361 PolarHBondContact O-N 2.84Å; E359-C362 PolarHBondContact O-N 2.91Å; E359-R363 WeakPolarHBondContact O-CB 3.5Å; E359-R363 PolarHBondContact O-N 3.44Å; E359-R363 IonicContact OE1-CZ 3.16Å; E359-R363 IonicContact OE1-NH1 3.52Å; E359-R363 IonicContact OE1-NH2 3.32Å; E359-R363 PolarHBondContact OE1-NH2 3.35Å |
| 360 | A | 95.4 | Very high | 93.2 | Very high | 41 Ų | 41 | 104 Ų | 104 | 34% | 0.339 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E356 R357 R363 Q364 | E356-A360 VanDerWaalsContact O-CB 3.31Å; E356-A360 WeakPolarHBondContact O-CB 3.32Å; E356-A360 PolarHBondContact O-N 3.1Å; R357-A360 PolarHBondContact O-N 3.43Å; A360-R363 PolarHBondContact O-N 2.84Å; A360-Q364 WeakPolarHBondContact O-CG 3.23Å; A360-Q364 PolarHBondContact O-N 2.86Å |
| 361 | L | 93.9 | Very high | 92.9 | Very high | 69 Ų | 69 | 101.5 Ų | 101.5 | 36% | 0.361 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 175.3 | -74 | 171 | 0 | 0 | 0 | 112.2 | R357 R358 E359 R363 Q364 L365 | R357-L361 WeakPolarHBondContact O-CG 3.39Å; R357-L361 PolarHBondContact O-N 3.32Å; R358-L361 PolarHBondContact O-N 2.79Å; E359-L361 PolarHBondContact O-N 2.84Å; L361-R363 VanDerWaalsContact C-N 3.28Å; L361-R363 PolarHBondContact O-N 3.26Å; L361-Q364 PolarHBondContact O-N 3.22Å; L361-L365 WeakPolarHBondContact O-CB 3.36Å; L361-L365 WeakPolarHBondContact O-CG 3.25Å; L361-L365 PolarHBondContact O-N 3.36Å |
| 362 | C | 90.8 | Very high | 92.6 | Very high | 64 Ų | 64 | 101.6 Ų | 101.6 | 43% | 0.432 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61 | -40 | 177 | -67.7 | 0 | 0 | 0 | 0 | 111.5 | R358 E359 S366 | R358-C362 PolarHBondContact O-N 3.49Å; R358-C362 PolarHBondContact O-SG 3.39Å; E359-C362 PolarHBondContact O-N 2.91Å; C362-S366 WeakPolarHBondContact O-CB 3.06Å; C362-S366 PolarHBondContact O-N 3.41Å; C362-S366 PolarHBondContact O-OG 2.95Å |
| 363 | R | 95.1 | Very high | 92.1 | Very high | 120 Ų | 120 | 103 Ų | 103 | 45% | 0.453 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -47.9 | 175.8 | -173.3 | -178.3 | -68.5 | 106.4 | 1.4 | 111.4 | E359 A360 L361 L365 S366 E367 | E359-R363 WeakPolarHBondContact O-CB 3.5Å; E359-R363 PolarHBondContact O-N 3.44Å; E359-R363 IonicContact OE1-CZ 3.16Å; E359-R363 IonicContact OE1-NH1 3.52Å; E359-R363 IonicContact OE1-NH2 3.32Å; E359-R363 PolarHBondContact OE1-NH2 3.35Å; A360-R363 PolarHBondContact O-N 2.84Å; L361-R363 VanDerWaalsContact C-N 3.28Å; L361-R363 PolarHBondContact O-N 3.26Å; R363-L365 PolarHBondContact O-N 3.43Å; R363-S366 PolarHBondContact O-N 3.31Å; R363-E367 VanDerWaalsContact CG-OE1 3.31Å; R363-E367 WeakPolarHBondContact CG-OE1 3.5Å; R363-E367 WeakPolarHBondContact O-CB 3.33Å; R363-E367 VanDerWaalsContact O-CG 3.3Å; R363-E367 WeakPolarHBondContact O-CG 3.3Å; R363-E367 PolarHBondContact O-N 3.21Å |
| 364 | Q | 95.4 | Very high | 91.8 | Very high | 116 Ų | 116 | 100.6 Ų | 100.6 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 177.2 | -77.1 | -176.9 | -24.1 | 0 | 0 | 113.1 | A360 L361 E367 S368 | A360-Q364 WeakPolarHBondContact O-CG 3.23Å; A360-Q364 PolarHBondContact O-N 2.86Å; L361-Q364 PolarHBondContact O-N 3.22Å; Q364-E367 PolarHBondContact O-N 3.02Å; Q364-S368 VanDerWaalsContact O-CB 3.3Å; Q364-S368 WeakPolarHBondContact O-CB 3.25Å; Q364-S368 PolarHBondContact O-N 3.5Å; Q364-S368 PolarHBondContact O-OG 2.79Å |
| 365 | L | 89.4 | Confident | 91.6 | Very high | 109 Ų | 109 | 100 Ų | 100 | 57% | 0.571 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.2 | -45.2 | 174.3 | -71.5 | 172.7 | 0 | 0 | 0 | 110.9 | L361 R363 E367 S368 E369 | L361-L365 WeakPolarHBondContact O-CB 3.36Å; L361-L365 WeakPolarHBondContact O-CG 3.25Å; L361-L365 PolarHBondContact O-N 3.36Å; R363-L365 PolarHBondContact O-N 3.43Å; L365-E367 VanDerWaalsContact C-N 3.34Å; L365-E367 PolarHBondContact O-N 3.3Å; L365-S368 PolarHBondContact O-N 2.94Å; L365-E369 WeakPolarHBondContact O-CB 3.32Å; L365-E369 WeakPolarHBondContact O-CG 3.28Å; L365-E369 PolarHBondContact O-N 3.48Å |
| 366 | S | 89.9 | Confident | 91.4 | Very high | 72 Ų | 72 | 99.6 Ų | 99.6 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 176.8 | -54.7 | 0 | 0 | 0 | 0 | 112 | C362 R363 S370 | C362-S366 WeakPolarHBondContact O-CB 3.06Å; C362-S366 PolarHBondContact O-N 3.41Å; C362-S366 PolarHBondContact O-OG 2.95Å; R363-S366 PolarHBondContact O-N 3.31Å; S366-S370 WeakPolarHBondContact O-CB 3.46Å; S366-S370 PolarHBondContact O-N 2.75Å |
| 367 | E | 91.4 | Very high | 91 | Very high | 117 Ų | 117 | 100.4 Ų | 100.4 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 175.8 | -74 | 169.4 | -173.9 | 0 | 0 | 111.7 | R363 Q364 L365 S371 | R363-E367 VanDerWaalsContact CG-OE1 3.31Å; R363-E367 WeakPolarHBondContact CG-OE1 3.5Å; R363-E367 WeakPolarHBondContact O-CB 3.33Å; R363-E367 VanDerWaalsContact O-CG 3.3Å; R363-E367 WeakPolarHBondContact O-CG 3.3Å; R363-E367 PolarHBondContact O-N 3.21Å; Q364-E367 PolarHBondContact O-N 3.02Å; L365-E367 VanDerWaalsContact C-N 3.34Å; L365-E367 PolarHBondContact O-N 3.3Å; E367-S371 WeakPolarHBondContact O-CB 3.37Å; E367-S371 PolarHBondContact O-N 2.8Å |
| 368 | S | 89.5 | Confident | 90.6 | Very high | 76 Ų | 76 | 101.7 Ų | 101.7 | 53% | 0.531 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.1 | -40.9 | 177.9 | -55.1 | 0 | 0 | 0 | 0 | 111.9 | Q364 L365 S371 L372 | Q364-S368 VanDerWaalsContact O-CB 3.3Å; Q364-S368 WeakPolarHBondContact O-CB 3.25Å; Q364-S368 PolarHBondContact O-N 3.5Å; Q364-S368 PolarHBondContact O-OG 2.79Å; L365-S368 PolarHBondContact O-N 2.94Å; S368-S371 PolarHBondContact O-N 3.23Å; S368-L372 WeakPolarHBondContact O-CB 3.46Å; S368-L372 PolarHBondContact O-N 3.38Å |
| 369 | E | 86.3 | Confident | 90.1 | Very high | 136 Ų | 136 | 99.6 Ų | 99.6 | 64% | 0.636 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.4 | -45.5 | 174.6 | -76.7 | 178.6 | 176.2 | 0 | 0 | 111.2 | L365 S371 L372 E373 | L365-E369 WeakPolarHBondContact O-CB 3.32Å; L365-E369 WeakPolarHBondContact O-CG 3.28Å; L365-E369 PolarHBondContact O-N 3.48Å; E369-S371 PolarHBondContact O-N 3.36Å; E369-L372 PolarHBondContact O-N 2.76Å; E369-E373 WeakPolarHBondContact O-CB 3.48Å; E369-E373 PolarHBondContact O-N 3.35Å |
| 370 | S | 84.1 | Confident | 89.5 | Confident | 65 Ų | 65 | 100 Ų | 100 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -35.4 | 177 | -178.7 | 0 | 0 | 0 | 0 | 112.8 | S366 M374 | S366-S370 WeakPolarHBondContact O-CB 3.46Å; S366-S370 PolarHBondContact O-N 2.75Å; S370-M374 WeakPolarHBondContact O-CG 3.47Å; S370-M374 PolarHBondContact O-N 3.44Å; S370-M374 VanDerWaalsContact O-N 3.1Å |
| 371 | S | 89.9 | Confident | 89 | Confident | 57 Ų | 57 | 102.9 Ų | 102.9 | 40% | 0.399 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65 | -44.7 | 173.4 | -171.1 | 0 | 0 | 0 | 0 | 111.4 | E367 S368 E369 E373 M374 D375 | E367-S371 WeakPolarHBondContact O-CB 3.37Å; E367-S371 PolarHBondContact O-N 2.8Å; S368-S371 PolarHBondContact O-N 3.23Å; E369-S371 PolarHBondContact O-N 3.36Å; S371-E373 VanDerWaalsContact C-N 3.33Å; S371-E373 PolarHBondContact O-N 2.81Å; S371-M374 PolarHBondContact O-N 3.43Å; S371-D375 PolarHBondContact O-N 3.11Å |
| 372 | L | 88.4 | Confident | 88.6 | Confident | 110 Ų | 110 | 104.8 Ų | 104.8 | 58% | 0.576 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.5 | -43.1 | 178.2 | -168.3 | 76.6 | 0 | 0 | 0 | 111 | S368 E369 M374 D375 D376 | S368-L372 WeakPolarHBondContact O-CB 3.46Å; S368-L372 PolarHBondContact O-N 3.38Å; E369-L372 PolarHBondContact O-N 2.76Å; L372-M374 PolarHBondContact O-N 2.72Å; L372-D375 PolarHBondContact O-N 3.04Å; L372-D376 WeakPolarHBondContact O-CB 3.13Å; L372-D376 PolarHBondContact O-N 3.48Å |
| 373 | E | 86.4 | Confident | 87.9 | Confident | 126 Ų | 126 | 105.1 Ų | 105.1 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.1 | -40.1 | 177.5 | -168.9 | 173.6 | -158.8 | 0 | 0 | 112 | E369 S371 D376 E377 | E369-E373 WeakPolarHBondContact O-CB 3.48Å; E369-E373 PolarHBondContact O-N 3.35Å; S371-E373 VanDerWaalsContact C-N 3.33Å; S371-E373 PolarHBondContact O-N 2.81Å; E373-D376 PolarHBondContact O-N 3.15Å; E373-E377 WeakPolarHBondContact O-CG 3.44Å; E373-E377 PolarHBondContact O-N 3.28Å |
| 374 | M | 90.1 | Very high | 87 | Confident | 98 Ų | 98 | 101.2 Ų | 101.2 | 48% | 0.483 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.4 | -35.1 | 174.4 | -72.7 | -149 | -56 | 0 | 0 | 113.3 | S370 S371 L372 R378 | S370-M374 WeakPolarHBondContact O-CG 3.47Å; S370-M374 PolarHBondContact O-N 3.44Å; S370-M374 VanDerWaalsContact O-N 3.1Å; S371-M374 PolarHBondContact O-N 3.43Å; L372-M374 PolarHBondContact O-N 2.72Å; M374-R378 WeakPolarHBondContact O-CB 3.16Å; M374-R378 VanDerWaalsContact O-CG 3.25Å; M374-R378 WeakPolarHBondContact O-CG 3.18Å; M374-R378 PolarHBondContact O-N 3.38Å |
| 375 | D | 89.8 | Confident | 86 | Confident | 88 Ų | 88 | 99.9 Ų | 99.9 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.1 | -39.1 | 176.4 | -72.9 | -23.8 | 0 | 0 | 0 | 111.1 | S371 L372 R378 Y379 | S371-D375 PolarHBondContact O-N 3.11Å; L372-D375 PolarHBondContact O-N 3.04Å; D375-R378 PolarHBondContact O-N 2.92Å; D375-Y379 WeakPolarHBondContact O-CB 3.48Å; D375-Y379 PolarHBondContact O-N 3.22Å |
| 376 | D | 89 | Confident | 85.4 | Confident | 99 Ų | 99 | 99.8 Ų | 99.8 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 172 | -79.1 | -16.5 | 0 | 0 | 0 | 111.8 | L372 E373 Y379 F380 | L372-D376 WeakPolarHBondContact O-CB 3.13Å; L372-D376 PolarHBondContact O-N 3.48Å; E373-D376 PolarHBondContact O-N 3.15Å; D376-Y379 PolarHBondContact O-N 2.95Å; D376-F380 VanDerWaalsContact O-CB 3.23Å; D376-F380 WeakPolarHBondContact O-CB 3.19Å; D376-F380 PolarHBondContact O-N 3.48Å |
| 377 | E | 87.2 | Confident | 83.9 | Confident | 116 Ų | 116 | 99.2 Ų | 99.2 | 54% | 0.542 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 174.4 | -79 | -173.7 | 174.6 | 0 | 0 | 112.4 | E373 N381 | E373-E377 WeakPolarHBondContact O-CG 3.44Å; E373-E377 PolarHBondContact O-N 3.28Å; E377-N381 VanDerWaalsContact O-CB 3.31Å; E377-N381 WeakPolarHBondContact O-CB 3.34Å; E377-N381 PolarHBondContact O-N 3.48Å; E377-N381 PolarHBondContact O-ND2 2.92Å |
| 378 | R | 88.4 | Confident | 82.3 | Confident | 167 Ų | 167 | 100 Ų | 100 | 63% | 0.63 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.6 | -48.1 | 174.8 | -76.4 | 170.5 | -172.5 | -102.2 | 1.5 | 110.6 | M374 D375 N381 E382 | M374-R378 WeakPolarHBondContact O-CB 3.16Å; M374-R378 VanDerWaalsContact O-CG 3.25Å; M374-R378 WeakPolarHBondContact O-CG 3.18Å; M374-R378 PolarHBondContact O-N 3.38Å; D375-R378 PolarHBondContact O-N 2.92Å; R378-N381 PolarHBondContact O-N 3.39Å; R378-E382 VanDerWaalsContact O-CB 3.31Å; R378-E382 WeakPolarHBondContact O-CB 3.11Å; R378-E382 PolarHBondContact O-N 3.18Å |
| 379 | Y | 85.7 | Confident | 80.8 | Confident | 139 Ų | 139 | 103.1 Ų | 103.1 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 178.2 | -176.3 | -104.6 | 0 | 0 | 0 | 111.5 | D375 D376 N381 E382 M383 | D375-Y379 WeakPolarHBondContact O-CB 3.48Å; D375-Y379 PolarHBondContact O-N 3.22Å; D376-Y379 PolarHBondContact O-N 2.95Å; Y379-N381 PolarHBondContact O-N 3.26Å; Y379-E382 PolarHBondContact O-N 3.31Å; Y379-M383 HydrophobicContact CE1-CE 4.4Å; Y379-M383 HydrophobicContact CE1-SD 4.21Å; Y379-M383 HydrophobicContact CE2-CE 4.36Å; Y379-M383 HydrophobicContact CE2-SD 3.96Å; Y379-M383 WeakPolarHBondContact O-CB 3.43Å; Y379-M383 PolarHBondContact O-N 3.06Å; Y379-M383 WeakPolarHBondContact OH-CE 3.47Å |
| 380 | F | 83.1 | Confident | 79.1 | Confident | 114 Ų | 114 | 103 Ų | 103 | 50% | 0.5 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 175.8 | 180 | -88.7 | 0 | 0 | 0 | 112.3 | D376 S384 | D376-F380 VanDerWaalsContact O-CB 3.23Å; D376-F380 WeakPolarHBondContact O-CB 3.19Å; D376-F380 PolarHBondContact O-N 3.48Å; F380-S384 VanDerWaalsContact O-CB 3.22Å; F380-S384 WeakPolarHBondContact O-CB 3.2Å; F380-S384 PolarHBondContact O-N 3.11Å; F380-S384 PolarHBondContact O-OG 3.34Å |
| 381 | N | 85.1 | Confident | 77.3 | Confident | 102 Ų | 102 | 111.2 Ų | 111.2 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.3 | -37.6 | 176.9 | -79.5 | -27.5 | 0 | 0 | 0 | 111.9 | E377 R378 Y379 S384 A385 | E377-N381 VanDerWaalsContact O-CB 3.31Å; E377-N381 WeakPolarHBondContact O-CB 3.34Å; E377-N381 PolarHBondContact O-N 3.48Å; E377-N381 PolarHBondContact O-ND2 2.92Å; R378-N381 PolarHBondContact O-N 3.39Å; Y379-N381 PolarHBondContact O-N 3.26Å; N381-S384 PolarHBondContact O-N 3.37Å; N381-A385 VanDerWaalsContact O-CB 3.25Å; N381-A385 WeakPolarHBondContact O-CB 3.06Å; N381-A385 PolarHBondContact O-N 3.28Å |
| 382 | E | 84.9 | Confident | 75.1 | Confident | 109 Ų | 109 | 114.7 Ų | 114.7 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.7 | -47.3 | 176.6 | -177.3 | 166.1 | -165.9 | 0 | 0 | 111.7 | R378 Y379 S384 A385 Q386 | R378-E382 VanDerWaalsContact O-CB 3.31Å; R378-E382 WeakPolarHBondContact O-CB 3.11Å; R378-E382 PolarHBondContact O-N 3.18Å; Y379-E382 PolarHBondContact O-N 3.31Å; E382-S384 PolarHBondContact O-N 3.36Å; E382-A385 PolarHBondContact O-N 3.32Å; E382-A385 VanDerWaalsContact O-N 3.14Å; E382-Q386 WeakPolarHBondContact O-CB 3.43Å; E382-Q386 VanDerWaalsContact O-CG 3.28Å; E382-Q386 WeakPolarHBondContact O-CG 3.42Å; E382-Q386 PolarHBondContact O-N 2.91Å; E382-Q386 PolarHBondContact O-OE1 3.09Å; E382-Q386 PolarHBondContact OE1-NE2 3.33Å |
| 383 | M | 77.5 | Confident | 73.2 | Confident | 71 Ų | 71 | 116.3 Ų | 116.3 | 35% | 0.35 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.6 | -34.7 | 173.7 | -126.8 | 69.8 | 166.9 | 0 | 0 | 112.1 | Y379 | Y379-M383 HydrophobicContact CE1-CE 4.4Å; Y379-M383 HydrophobicContact CE1-SD 4.21Å; Y379-M383 HydrophobicContact CE2-CE 4.36Å; Y379-M383 HydrophobicContact CE2-SD 3.96Å; Y379-M383 WeakPolarHBondContact O-CB 3.43Å; Y379-M383 PolarHBondContact O-N 3.06Å; Y379-M383 WeakPolarHBondContact OH-CE 3.47Å |
| 384 | S | 75.6 | Confident | 70.9 | Confident | 38 Ų | 38 | 115.5 Ų | 115.5 | 27% | 0.266 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71 | -39.5 | 175.3 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | F380 N381 E382 G387 R389 | F380-S384 VanDerWaalsContact O-CB 3.22Å; F380-S384 WeakPolarHBondContact O-CB 3.2Å; F380-S384 PolarHBondContact O-N 3.11Å; F380-S384 PolarHBondContact O-OG 3.34Å; N381-S384 PolarHBondContact O-N 3.37Å; E382-S384 PolarHBondContact O-N 3.36Å; S384-G387 PolarHBondContact O-N 3.23Å; S384-R389 VanDerWaalsContact OG-CZ 3.31Å; S384-R389 PolarHBondContact OG-NH1 3.48Å; S384-R389 PolarHBondContact OG-NH2 2.67Å |
| 385 | A | 74 | Confident | 68.3 | Low | 89 Ų | 89 | 116.2 Ų | 116.2 | 74% | 0.736 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72.9 | -30.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | N381 E382 G387 | N381-A385 VanDerWaalsContact O-CB 3.25Å; N381-A385 WeakPolarHBondContact O-CB 3.06Å; N381-A385 PolarHBondContact O-N 3.28Å; E382-A385 PolarHBondContact O-N 3.32Å; E382-A385 VanDerWaalsContact O-N 3.14Å; A385-G387 PolarHBondContact O-N 3.3Å |
| 386 | Q | 76.5 | Confident | 66.1 | Low | 106 Ų | 106 | 118 Ų | 118 | 50% | 0.495 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.9 | -2.1 | 176 | -70.3 | 157.8 | -10.1 | 0 | 0 | 113.3 | E382 L388 | E382-Q386 WeakPolarHBondContact O-CB 3.43Å; E382-Q386 VanDerWaalsContact O-CG 3.28Å; E382-Q386 WeakPolarHBondContact O-CG 3.42Å; E382-Q386 PolarHBondContact O-N 2.91Å; E382-Q386 PolarHBondContact O-OE1 3.09Å; E382-Q386 PolarHBondContact OE1-NE2 3.33Å; Q386-L388 HydrophobicContact CB-CD1 4.44Å; Q386-L388 PolarHBondContact O-N 3.42Å |
| 387 | G | 60 | Low | 63.7 | Low | 61 Ų | 61 | 120.7 Ų | 120.7 | 63% | 0.629 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.1 | 9.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S384 A385 R389 | S384-G387 PolarHBondContact O-N 3.23Å; A385-G387 PolarHBondContact O-N 3.3Å; G387-R389 PolarHBondContact O-N 2.74Å |
| 388 | L | 57.7 | Low | 61.7 | Low | 134 Ų | 134 | 120.7 Ų | 120.7 | 70% | 0.702 | 66% | 0.655 | S | S | * | * | trans | -81.6 | 16.1 | -178.1 | -99.1 | 90 | 0 | 0 | 0 | 114.7 | Q386 T390 | Q386-L388 HydrophobicContact CB-CD1 4.44Å; Q386-L388 PolarHBondContact O-N 3.42Å; L388-T390 PolarHBondContact O-N 3.38Å; L388-T390 VanDerWaalsContact O-N 3.17Å | ||
| 389 | R | 56.4 | Low | 59.2 | Low | 141 Ų | 141 | 123.8 Ų | 123.8 | 53% | 0.532 | 67% | 0.668 | S | S | . | * | trans | -69.6 | 113.3 | 169.8 | -86.4 | -165.7 | 160.2 | 118.8 | 17.8 | 110.4 | S384 G387 R391 | S384-R389 VanDerWaalsContact OG-CZ 3.31Å; S384-R389 PolarHBondContact OG-NH1 3.48Å; S384-R389 PolarHBondContact OG-NH2 2.67Å; G387-R389 PolarHBondContact O-N 2.74Å; R389-R391 PolarHBondContact O-N 2.65Å | ||
| 390 | T | 51.9 | Low | 56.9 | Low | 134 Ų | 134 | 123.1 Ų | 123.1 | 82% | 0.822 | 68% | 0.678 | S | S | * | * | trans | -56.6 | 104.3 | 154.2 | 26.3 | 0 | 0 | 0 | 0 | 108 | L388 T392 | L388-T390 PolarHBondContact O-N 3.38Å; L388-T390 VanDerWaalsContact O-N 3.17Å; T390-T392 PolarHBondContact O-N 3.13Å | ||
| 391 | R | 46.2 | Very low | 55.1 | Low | 236 Ų | 236 | 123.6 Ų | 123.6 | 89% | 0.891 | 69% | 0.693 | S | S | * | * | trans | -58.6 | 104.1 | 172.6 | -72.4 | -175.7 | 168.9 | -138.3 | -1.2 | 108.5 | R389 V393 | R389-R391 PolarHBondContact O-N 2.65Å; R391-V393 PolarHBondContact O-N 3.2Å | ||
| 392 | T | 43.9 | Very low | 53 | Low | 131 Ų | 131 | 124.2 Ų | 124.2 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | trans | -70.3 | 114.1 | 159.6 | 45.1 | 0 | 0 | 0 | 0 | 107.3 | T390 S394 | T390-T392 PolarHBondContact O-N 3.13Å; T392-S394 PolarHBondContact O-N 3.41Å; T392-S394 VanDerWaalsContact O-N 3.11Å | ||
| 393 | V | 47.9 | Very low | 51.4 | Low | 144 Ų | 144 | 124.6 Ų | 124.6 | 87% | 0.873 | 72% | 0.717 | S | S | * | * | trans | -61.3 | 106.5 | 175.2 | -78.5 | 0 | 0 | 0 | 0 | 109.8 | R391 | R391-V393 PolarHBondContact O-N 3.2Š| ||
| 394 | S | 39.1 | Very low | 49.1 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | trans | -138.3 | 123.6 | 152.4 | 53.2 | 0 | 0 | 0 | 0 | 108.7 | T392 | T392-S394 PolarHBondContact O-N 3.41Å; T392-S394 VanDerWaalsContact O-N 3.11Å | ||
| 395 | S | 34.8 | Very low | 47.3 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 137 | -165.6 | -52 | 0 | 0 | 0 | 0 | 113 | ||
| 396 | P | 43.1 | Very low | 45.5 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 116.5 | 167.5 | 26.3 | -17.7 | 0 | 0 | 0 | 109.6 | ||
| 397 | I | 39.8 | Very low | 44 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 80% | 0.795 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -72 | 132.7 | 168.1 | -61.4 | 172.4 | 0 | 0 | 0 | 107.9 | ||
| 398 | P | 44.6 | Very low | 43.5 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 137 | -178.2 | -15.7 | 29.5 | 0 | 0 | 0 | 112.9 | ||
| 399 | Y | 35.9 | Very low | 42.5 | Very low | 232 Ų | 232 | 140.4 Ų | 140.4 | 91% | 0.91 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 139.9 | 169.6 | -91.8 | -97.4 | 0 | 0 | 0 | 112.6 | ||
| 400 | T | 36.1 | Very low | 41.6 | Very low | 125 Ų | 125 | 139 Ų | 139 | 77% | 0.767 | 80% | 0.801 | S | S | * | * | trans | -106.4 | 140.4 | 157.4 | 57.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 401 | P | 46 | Very low | 41.7 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | trans | -84.1 | 140.3 | -168.1 | 33.3 | -33.1 | 0 | 0 | 0 | 114.2 | ||||
| 402 | S | 41.1 | Very low | 41 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -3.8 | 154 | 151.9 | -60.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 403 | P | 50.4 | Low | 40.8 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | -157 | 176.5 | 62.3 | 40.4 | -17.5 | 0 | 0 | 0 | 119.9 | |||||
| 404 | S | 30.1 | Very low | 40 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 89.4 | 141.7 | 159.9 | -56 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 405 | S | 37.1 | Very low | 39.7 | Very low | 101 Ų | 101 | 136 Ų | 136 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | cis | 177 | 150.3 | -16.2 | 179.9 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 406 | S | 35.8 | Very low | 39.5 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | 77.6 | 112.8 | 154.6 | -47.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 407 | R | 46 | Very low | 39 | Very low | 237 Ų | 237 | 134.4 Ų | 134.4 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | trans | -61 | 157 | 141.6 | -70 | 175.2 | 164.4 | -118.4 | -0.5 | 109.5 | ||||
| 408 | P | 49.4 | Very low | 38.7 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | -149.1 | 153 | 88.9 | 33.9 | -13.3 | 0 | 0 | 0 | 117.2 | |||||
| 409 | I | 37.8 | Very low | 38.2 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 82% | 0.821 | 79% | 0.792 | S | S | * | * | trans | 40.6 | 116.5 | 132.2 | -48.3 | 171.7 | 0 | 0 | 0 | 119.8 | ||||
| 410 | S | 35.8 | Very low | 38.3 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -12.2 | 177.2 | 159.9 | -47.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 411 | P | 54 | Low | 37.9 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | cis | -130.4 | 159.8 | -34.4 | 32.3 | -13.8 | 0 | 0 | 0 | 113.3 | ||||
| 412 | G | 32.6 | Very low | 37.3 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | -160.3 | 121.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 413 | L | 38.4 | Very low | 37.2 | Very low | 170 Ų | 170 | 131.9 Ų | 131.9 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -42.4 | 144 | 174.9 | -70.2 | 122 | 0 | 0 | 0 | 114.9 | ||||
| 414 | S | 31.2 | Very low | 36.7 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | 166.8 | 124.9 | 109.9 | -92.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 415 | Y | 34 | Very low | 37.4 | Very low | 222 Ų | 222 | 132.3 Ų | 132.3 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | trans | 65.4 | 83.8 | 153 | -54.9 | -67.9 | 0 | 0 | 0 | 120 | ||||
| 416 | G | 30.7 | Very low | 37.5 | Very low | 58 Ų | 58 | 132.3 Ų | 132.3 | 60% | 0.598 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -101 | 120.5 | 152.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | H418 | G416-H418 PolarHBondContact O-CD2 3.29Å; G416-H418 VanDerWaalsContact O-CD2 3.24Å; G416-H418 PolarHBondContact O-NE2 2.69Å |
| 417 | T | 31.8 | Very low | 37.4 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 119.2 | 169.8 | -54.5 | 0 | 0 | 0 | 0 | 108.2 | ||
| 418 | H | 33.1 | Very low | 36.9 | Very low | 170 Ų | 170 | 130.5 Ų | 130.5 | 79% | 0.787 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 138.2 | -175.9 | -59.6 | -83.2 | 0 | 0 | 0 | 112.2 | G416 | G416-H418 PolarHBondContact O-CD2 3.29Å; G416-H418 VanDerWaalsContact O-CD2 3.24Å; G416-H418 PolarHBondContact O-NE2 2.69Å |
| 419 | T | 34.4 | Very low | 36 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | -148.7 | 139.7 | 151.5 | 63.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 420 | V | 37.6 | Very low | 35.8 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | cis | -162.7 | 134 | -21.5 | -91.2 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 421 | G | 28.8 | Very low | 35.6 | Very low | 73 Ų | 73 | 134.1 Ų | 134.1 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | 170.7 | 93.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 422 | F | 33.2 | Very low | 34.5 | Very low | 194 Ų | 194 | 132.1 Ų | 132.1 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | 175.2 | 137.6 | 137.3 | -121.4 | -117.9 | 0 | 0 | 0 | 111 | ||||
| 423 | T | 39.8 | Very low | 34.7 | Very low | 101 Ų | 101 | 137 Ų | 137 | 62% | 0.62 | 81% | 0.806 | S | S | * | * | trans | 28.3 | 143.1 | 143.1 | 62.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 424 | P | 39.6 | Very low | 34.4 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 144.9 | 178.5 | 35.8 | -32 | 0 | 0 | 0 | 112.8 | ||
| 425 | P | 44.7 | Very low | 34.4 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 149.1 | 159.3 | 34.6 | -25.2 | 0 | 0 | 0 | 111.7 | ||
| 426 | A | 38.6 | Very low | 34.4 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 136.1 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 427 | T | 34.5 | Very low | 34.5 | Very low | 135 Ų | 135 | 139 Ų | 139 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | trans | -142 | 124.6 | 160.1 | 53.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 428 | L | 34.4 | Very low | 34.6 | Very low | 169 Ų | 169 | 137.7 Ų | 137.7 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | trans | -65.1 | 133.4 | 158 | -78.9 | 147.4 | 0 | 0 | 0 | 110.5 | ||||
| 429 | S | 31.6 | Very low | 35.2 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | 159.1 | 124.4 | 112.9 | -83.5 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 430 | R | 32.9 | Very low | 35.1 | Very low | 243 Ų | 243 | 133.6 Ų | 133.6 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | trans | 78.3 | 105 | 130.8 | -153 | 176.1 | -168.7 | -172.8 | 2.2 | 119.6 | ||||
| 431 | A | 31.8 | Very low | 34.9 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | trans | -131.3 | 140.5 | 140.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 432 | A | 31.5 | Very low | 34.9 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | trans | -92.3 | 141 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 433 | I | 35.5 | Very low | 34.9 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | trans | -138.7 | 142.1 | 145.7 | -72.4 | 161.9 | 0 | 0 | 0 | 106.8 | ||||
| 434 | S | 32.3 | Very low | 34.5 | Very low | 79 Ų | 79 | 141.1 Ų | 141.1 | 55% | 0.552 | 80% | 0.798 | S | S | * | * | trans | -103.3 | 172 | -162.7 | -176.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 435 | H | 31.7 | Very low | 34 | Very low | 154 Ų | 154 | 139 Ų | 139 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | trans | 103.6 | 122.2 | 152.2 | -39.5 | -65.6 | 0 | 0 | 0 | 119.9 | ||||
| 436 | Y | 34.7 | Very low | 33.4 | Very low | 213 Ų | 213 | 138.9 Ų | 138.9 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 121.6 | 106 | 147.7 | -72.3 | -76.4 | 0 | 0 | 0 | 118.3 | ||||
| 437 | N | 31.4 | Very low | 33 | Very low | 139 Ų | 139 | 139.9 Ų | 139.9 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | trans | 52.5 | 134.1 | 135.1 | -102.9 | -4 | 0 | 0 | 0 | 119.4 | ||||
| 438 | T | 35.4 | Very low | 33 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | cis | -173.7 | 173 | 17.6 | -1.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 439 | P | 45.3 | Very low | 33 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -102.9 | 159.3 | -151.2 | 39.4 | -35.2 | 0 | 0 | 0 | 115.6 | ||||
| 440 | A | 31.5 | Very low | 33 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | -157.1 | 106 | 153 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 441 | L | 34 | Very low | 33 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | 59.7 | 104.3 | 135 | -64.6 | 164.9 | 0 | 0 | 0 | 120.9 | ||||
| 442 | H | 29.5 | Very low | 33.1 | Very low | 171 Ų | 171 | 131.8 Ų | 131.8 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | trans | -72.3 | 138.6 | 149.4 | -81.5 | -94.5 | 0 | 0 | 0 | 111.1 | ||||
| 443 | I | 33.2 | Very low | 33.2 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | -123.1 | 124 | 151.3 | -71.2 | -174.6 | 0 | 0 | 0 | 107.9 | ||||
| 444 | H | 30.8 | Very low | 33.3 | Very low | 164 Ų | 164 | 135.7 Ų | 135.7 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | -78.6 | 145 | 172 | -86.9 | -95.7 | 0 | 0 | 0 | 111.3 | ||||
| 445 | G | 28.8 | Very low | 33.4 | Very low | 81 Ų | 81 | 137 Ų | 137 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -147.8 | 95.8 | 161 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 446 | S | 31.7 | Very low | 34.1 | Very low | 116 Ų | 116 | 136 Ų | 136 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -69.4 | 142.2 | 178.1 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 447 | S | 30.6 | Very low | 34.2 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -166.2 | 137.8 | 134.3 | -162.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 448 | S | 35.4 | Very low | 34.5 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | -76.5 | 144.4 | -174 | -49.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 449 | H | 33.3 | Very low | 34.3 | Very low | 182 Ų | 182 | 138.2 Ų | 138.2 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | 159.6 | 117.2 | 125.6 | -96.7 | -82.1 | 0 | 0 | 0 | 112.6 | |||||
| 450 | A | 31.8 | Very low | 33.7 | Very low | 84 Ų | 84 | 137.5 Ų | 137.5 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | 26.6 | 133.1 | 129.6 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 451 | V | 34.2 | Very low | 33.8 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | 81.9 | 123.7 | 144.4 | -170.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 452 | A | 32 | Very low | 34.4 | Very low | 89 Ų | 89 | 135.7 Ų | 135.7 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | 65 | 115.2 | 147.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 453 | R | 34.2 | Very low | 34.6 | Very low | 228 Ų | 228 | 134 Ų | 134 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -26.1 | 131.3 | 148.6 | -172.5 | -178.8 | -172.4 | -160.3 | 3 | 115.7 | ||||
| 454 | P | 37.9 | Very low | 34.8 | Very low | 121 Ų | 121 | 135 Ų | 135 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -95 | 139.8 | 163.9 | 33.5 | -26.5 | 0 | 0 | 0 | 112.1 | ||
| 455 | S | 34.3 | Very low | 35.1 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 153.3 | 158.8 | -62.7 | 0 | 0 | 0 | 0 | 109.5 | ||
| 456 | P | 46 | Very low | 35.6 | Very low | 133 Ų | 133 | 143 Ų | 143 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 128.8 | 160.3 | 10.1 | 9.4 | 0 | 0 | 0 | 112 | ||
| 457 | R | 37.2 | Very low | 36.2 | Very low | 219 Ų | 219 | 148.3 Ų | 148.3 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 158.1 | 159.2 | -102.2 | -178.6 | -178 | -116.5 | 1.6 | 106.6 | ||
| 458 | R | 37.4 | Very low | 37.1 | Very low | 192 Ų | 192 | 148.4 Ų | 148.4 | 73% | 0.725 | 79% | 0.787 | S | S | * | * | cis | 177.1 | 148.2 | 2.2 | -157.9 | 179.6 | -168.4 | -101.1 | 1.8 | 106.7 | ||||
| 459 | S | 31.6 | Very low | 37.9 | Very low | 107 Ų | 107 | 149.8 Ų | 149.8 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -166.5 | 100.9 | 139.2 | 54.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 460 | T | 33.1 | Very low | 38.9 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 64% | 0.638 | 79% | 0.785 | S | S | * | * | 81.7 | 82.8 | 105.4 | 56.8 | 0 | 0 | 0 | 0 | 117 | |||||
| 461 | S | 32.2 | Very low | 40.2 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | 45.4 | 158.7 | 127.9 | 56.9 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 462 | P | 47.5 | Very low | 41 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | cis | -135.1 | -176 | -3.5 | 34.6 | -12.2 | 0 | 0 | 0 | 116 | ||||
| 463 | D | 33 | Very low | 41.6 | Very low | 136 Ų | 136 | 148.5 Ų | 148.5 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 105.2 | 92.6 | 156.2 | -84.7 | -44.5 | 0 | 0 | 0 | 122.2 | ||||
| 464 | K | 37.5 | Very low | 42 | Very low | 186 Ų | 186 | 143 Ų | 143 | 81% | 0.809 | 78% | 0.784 | S | S | * | * | 27.3 | 103.7 | 126.4 | -61.1 | 180 | -177.9 | -176.1 | 0 | 118.9 | |||||
| 465 | F | 38.3 | Very low | 41.7 | Very low | 207 Ų | 207 | 144.5 Ų | 144.5 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | trans | 5.1 | 113 | 131.9 | -122.7 | -101.6 | 0 | 0 | 0 | 117.6 | ||||
| 466 | K | 39.5 | Very low | 41.7 | Very low | 207 Ų | 207 | 146 Ų | 146 | 90% | 0.9 | 79% | 0.791 | S | S | * | * | trans | -141.6 | 130.7 | 146.6 | -77.6 | -162.3 | 178.1 | -174.5 | 0 | 110.8 | ||||
| 467 | R | 44.3 | Very low | 41.4 | Very low | 227 Ų | 227 | 149.2 Ų | 149.2 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 142.7 | 174 | -178.6 | -176 | -115.7 | -129.7 | -1 | 110.4 | ||
| 468 | P | 48.1 | Very low | 41.3 | Very low | 123 Ų | 123 | 144.8 Ų | 144.8 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -76 | 133.6 | 171.8 | -9.5 | 25.8 | 0 | 0 | 0 | 111.5 | ||
| 469 | T | 52.4 | Low | 41 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 143.2 | 169.8 | -24 | 0 | 0 | 0 | 0 | 109.3 | ||
| 470 | P | 53.9 | Low | 41.1 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 153.6 | 173.5 | 29.5 | -33.9 | 0 | 0 | 0 | 112.1 | ||
| 471 | P | 60.4 | Low | 41.3 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 151.7 | -178.5 | 30.3 | -34.3 | 0 | 0 | 0 | 112.8 | ||
| 472 | P | 50.7 | Low | 41.7 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 137.8 | 177.7 | 31.6 | -32.3 | 0 | 0 | 0 | 111.6 | ||
| 473 | S | 43.4 | Very low | 41.2 | Very low | 117 Ų | 117 | 147 Ų | 147 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 137.4 | 168.1 | -60.2 | 0 | 0 | 0 | 0 | 110.2 | ||
| 474 | P | 43 | Very low | 41.6 | Very low | 112 Ų | 112 | 149.2 Ų | 149.2 | 73% | 0.727 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 120 | 172 | 32.4 | -25.8 | 0 | 0 | 0 | 110.3 | ||
| 475 | N | 32.8 | Very low | 42.2 | Very low | 153 Ų | 153 | 146 Ų | 146 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | 138.4 | 91.3 | 136.9 | -72.3 | -16.8 | 0 | 0 | 0 | 114.7 | ||||
| 476 | T | 34.2 | Very low | 42.9 | Very low | 138 Ų | 138 | 142.3 Ų | 142.3 | 85% | 0.847 | 83% | 0.829 | S | S | * | * | trans | -141.7 | 101.3 | 142.7 | 39.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 477 | H | 39 | Very low | 43.5 | Very low | 199 Ų | 199 | 140.1 Ų | 140.1 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -129.9 | 117.1 | 157.7 | -84.4 | -59.3 | 0 | 0 | 0 | 109 | ||||
| 478 | S | 34 | Very low | 44.4 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 88% | 0.881 | 82% | 0.821 | S | S | * | * | trans | -86.3 | 130.9 | 162.4 | 40.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 479 | G | 32.1 | Very low | 45.2 | Very low | 78 Ų | 78 | 134.5 Ų | 134.5 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 149.5 | 89.5 | 162 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 480 | A | 34.8 | Very low | 45.3 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | trans | 58.1 | 110.4 | 147.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 481 | Q | 36.3 | Very low | 44.8 | Very low | 197 Ų | 197 | 133.9 Ų | 133.9 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | -178.6 | 135.6 | 117.1 | -100.6 | 172.3 | -11.5 | 0 | 0 | 111.1 | |||||
| 482 | Q | 40.6 | Very low | 44.1 | Very low | 201 Ų | 201 | 137.2 Ų | 137.2 | 94% | 0.939 | 83% | 0.831 | S | S | * | * | trans | -63 | 129.7 | 171.6 | -76.6 | 168.8 | -37.9 | 0 | 0 | 111 | ||||
| 483 | A | 36.8 | Very low | 44 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | trans | -154.7 | 136 | 153.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 484 | Q | 42.4 | Very low | 43.8 | Very low | 184 Ų | 184 | 138.9 Ų | 138.9 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 158.6 | -171.1 | -67.2 | -175 | -63.2 | 0 | 0 | 114.6 | ||
| 485 | P | 48.7 | Very low | 43.6 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 77% | 0.766 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 143 | 174.8 | 31.4 | -32.4 | 0 | 0 | 0 | 112 | ||
| 486 | P | 53.8 | Low | 43.7 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 84% | 0.838 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 140.6 | 166.7 | 30.1 | -28.6 | 0 | 0 | 0 | 111.5 | ||
| 487 | L | 52.8 | Low | 43.8 | Very low | 161 Ų | 161 | 139.4 Ų | 139.4 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 156.6 | -178.3 | -73.9 | 145.2 | 0 | 0 | 0 | 114.3 | ||
| 488 | P | 61.5 | Low | 43.5 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 148.9 | 175.2 | 32.6 | -33.2 | 0 | 0 | 0 | 112.6 | ||
| 489 | P | 65.4 | Low | 43.6 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 159 | 169.8 | 29.9 | -31.6 | 0 | 0 | 0 | 112.7 | ||
| 490 | P | 55.5 | Low | 43.9 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 154.6 | -157.3 | 33.7 | -35.4 | 0 | 0 | 0 | 114.7 | ||
| 491 | A | 41.8 | Very low | 44.7 | Very low | 97 Ų | 97 | 139.7 Ų | 139.7 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 141.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 492 | Q | 47.2 | Very low | 44.6 | Very low | 187 Ų | 187 | 135 Ų | 135 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -161.8 | 164.9 | 152.2 | -74.5 | -143.3 | -26.9 | 0 | 0 | 109.7 | ||||
| 493 | P | 48.5 | Very low | 44.3 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | -123.7 | 174.6 | -76.4 | 29.2 | -7.8 | 0 | 0 | 0 | 113.2 | |||||
| 494 | M | 39.4 | Very low | 44.4 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | -42.2 | 141.9 | 173.1 | -81.1 | 161.5 | 49.2 | 0 | 0 | 115.8 | ||||
| 495 | V | 38.8 | Very low | 44.2 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | trans | -139.3 | 134.2 | 136.8 | -160 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 496 | Q | 34.8 | Very low | 43.9 | Very low | 159 Ų | 159 | 130.7 Ų | 130.7 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | -70.3 | 149.6 | -177.2 | -64.2 | 157.6 | -31.2 | 0 | 0 | 113.5 | ||||
| 497 | S | 34.6 | Very low | 43.1 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | -178.1 | 113.8 | 125.1 | -137 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 498 | M | 34 | Very low | 42.5 | Very low | 163 Ų | 163 | 129.1 Ų | 129.1 | 80% | 0.803 | 78% | 0.783 | S | S | * | * | 46.8 | 121.4 | 96.9 | -52.9 | -70.4 | -172.3 | 0 | 0 | 111 | |||||
| 499 | S | 36.2 | Very low | 41.3 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | cis | -174.7 | 143.3 | 29.1 | -14.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 500 | S | 38.3 | Very low | 39.9 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -94.5 | 159.1 | 147.3 | -60.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 501 | P | 51.5 | Low | 39.4 | Very low | 120 Ų | 120 | 127 Ų | 127 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | -144.8 | 154.4 | 63 | 28.2 | -3 | 0 | 0 | 0 | 114.2 | |||||
| 502 | A | 34.8 | Very low | 39.9 | Very low | 99 Ų | 99 | 128.1 Ų | 128.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | 74.9 | 146.1 | 84 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 503 | A | 34.2 | Very low | 40.3 | Very low | 97 Ų | 97 | 124.7 Ų | 124.7 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | 82.5 | 118.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 504 | M | 37.4 | Very low | 40.1 | Very low | 178 Ų | 178 | 129 Ų | 129 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | 74.8 | 126.5 | 58.1 | -86.6 | -173 | 71.9 | 0 | 0 | 116.5 | |||||
| 505 | S | 38.8 | Very low | 40.5 | Very low | 88 Ų | 88 | 130.2 Ų | 130.2 | 62% | 0.615 | 79% | 0.789 | S | S | * | * | trans | 72.2 | 146.3 | 154.8 | -75.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 506 | Q | 41.7 | Very low | 41.7 | Very low | 152 Ų | 152 | 128.9 Ų | 128.9 | 71% | 0.71 | 78% | 0.784 | S | S | * | * | cis | -175.6 | 166.5 | 0.3 | -111.7 | 170.7 | 22 | 0 | 0 | 109 | ||||
| 507 | H | 38.7 | Very low | 43.1 | Very low | 162 Ų | 162 | 127.4 Ų | 127.4 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | trans | 95.5 | 113.2 | 146.1 | -79.7 | -59.2 | 0 | 0 | 0 | 124.4 | ||||
| 508 | A | 39.2 | Very low | 44.2 | Very low | 95 Ų | 95 | 128 Ų | 128 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | 72.4 | 144.3 | 125.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 509 | A | 36.8 | Very low | 44.6 | Very low | 84 Ų | 84 | 128.7 Ų | 128.7 | 69% | 0.694 | 79% | 0.793 | S | S | * | * | cis | -166 | 162.2 | 19 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 510 | T | 36.7 | Very low | 45.9 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 83% | 0.828 | 81% | 0.814 | S | S | * | * | trans | 66.7 | 101.4 | 142.6 | 33 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 511 | A | 43.2 | Very low | 46.3 | Very low | 95 Ų | 95 | 133.2 Ų | 133.2 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | 16.3 | 165.7 | 125 | 0 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 512 | P | 54.1 | Low | 46 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | cis | -140 | -144.6 | -21.4 | 38.3 | -12.8 | 0 | 0 | 0 | 114.6 | ||||
| 513 | P | 54.5 | Low | 46.7 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | -118.9 | 167.9 | -113.4 | 37.8 | -16.9 | 0 | 0 | 0 | 116.8 | |||||
| 514 | Q | 43.8 | Very low | 47.4 | Very low | 204 Ų | 204 | 138.1 Ų | 138.1 | 95% | 0.953 | 82% | 0.817 | S | S | * | * | trans | -141.3 | 137.6 | 162.6 | -76.6 | -160 | -8.9 | 0 | 0 | 114 | ||||
| 515 | Q | 49.4 | Very low | 48 | Very low | 188 Ų | 188 | 135.6 Ų | 135.6 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 159 | 178 | -65.9 | 170.5 | -58.7 | 0 | 0 | 113.2 | ||
| 516 | P | 62.5 | Low | 48.6 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 149.4 | 162.7 | 34.8 | -28.7 | 0 | 0 | 0 | 112.6 | ||
| 517 | P | 64.1 | Low | 49.1 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 83% | 0.831 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 156.5 | 178.5 | 35 | -32 | 0 | 0 | 0 | 113.2 | ||
| 518 | S | 57.6 | Low | 49.9 | Very low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 155.4 | -176.5 | -46.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 519 | Q | 42.3 | Very low | 50.8 | Low | 177 Ų | 177 | 139.4 Ų | 139.4 | 83% | 0.827 | 85% | 0.846 | S | S | * | * | trans | -29.7 | 166.5 | 159.2 | -88.4 | 179.5 | -12.6 | 0 | 0 | 117.9 | ||||
| 520 | P | 64.9 | Low | 52.1 | Low | 186 Ų | 186 | 144.5 Ų | 144.5 | 100% | 1.208 | 86% | 0.86 | S | S | * | * | -106.9 | 0 | 84.3 | 31.4 | -34.8 | 0 | 0 | 0 | 115.4 |
Retrieved 520 of 520 residues in 184.2 ms
(Link to these results)