| 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 | 60.3 | Low | 53.2 | Low | 241 Ų | 241 | 152.1 Ų | 152.1 | 100% | 1.187 | 83% | 0.834 | S | S | * | * | 0 | 99.2 | 0 | -70 | 176.4 | 176.4 | 0 | 0 | 108.4 | |||||
| 2 | F | 49.5 | Very low | 53 | Low | 213 Ų | 213 | 149.6 Ų | 149.6 | 93% | 0.934 | 84% | 0.835 | S | S | * | * | trans | 177.7 | 132.6 | 133.6 | -123 | -99.3 | 0 | 0 | 0 | 107.8 | ||||
| 3 | R | 57.2 | Low | 52.1 | Low | 215 Ų | 215 | 144.2 Ų | 144.2 | 81% | 0.811 | 84% | 0.835 | S | S | * | * | trans | -105.6 | 149.9 | -179.1 | -76.7 | -175.8 | 169.1 | -163.8 | -2.9 | 109.6 | ||||
| 4 | D | 60.6 | Low | 51.7 | Low | 124 Ų | 124 | 146.9 Ų | 146.9 | 66% | 0.663 | 84% | 0.844 | S | S | * | * | trans | 56.5 | 148.4 | 150.7 | -65.9 | -52.1 | 0 | 0 | 0 | 118.3 | ||||
| 5 | F | 52.1 | Low | 51 | Low | 200 Ų | 200 | 142.1 Ų | 142.1 | 88% | 0.877 | 84% | 0.84 | S | S | * | * | cis | -159.4 | 149.6 | 47.7 | -83.1 | -96.1 | 0 | 0 | 0 | 114.7 | ||||
| 6 | G | 49.5 | Very low | 50.4 | Low | 69 Ų | 69 | 138.6 Ų | 138.6 | 71% | 0.711 | 84% | 0.842 | S | S | * | * | trans | 76.7 | 137.1 | 133.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 7 | E | 46.1 | Very low | 49.5 | Very low | 184 Ų | 184 | 134.8 Ų | 134.8 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | cis | -161.6 | 154.6 | 13.8 | -105.8 | -90.1 | 130.2 | 0 | 0 | 108.3 | ||||
| 8 | P | 62.8 | Low | 49.2 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 71% | 0.714 | 84% | 0.844 | S | S | * | * | trans | -94.1 | 138.4 | 177.8 | 35.3 | -28.2 | 0 | 0 | 0 | 112.6 | ||||
| 9 | G | 37.5 | Very low | 48.6 | Very low | 78 Ų | 78 | 137.7 Ų | 137.7 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | trans | -121.7 | 123 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 10 | P | 59.7 | Low | 48.1 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 81% | 0.812 | 84% | 0.841 | S | S | * | * | trans | -100.2 | 149.5 | -160.3 | 37.3 | -35 | 0 | 0 | 0 | 116.5 | ||||
| 11 | S | 49.7 | Very low | 48 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 80% | 0.797 | 84% | 0.843 | S | S | * | * | trans | 28.7 | 128 | 131.9 | -160.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 12 | S | 51 | Low | 47 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -34 | 138.7 | 158.3 | -51.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 13 | G | 41.5 | Very low | 46.7 | Very low | 80 Ų | 80 | 126.6 Ų | 126.6 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -145.6 | 120.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 14 | N | 46.9 | Very low | 45.9 | Very low | 181 Ų | 181 | 124.9 Ų | 124.9 | 97% | 0.968 | 82% | 0.822 | S | S | * | * | trans | -110.3 | 140.7 | 179.6 | -145.7 | 58.7 | 0 | 0 | 0 | 108.6 | ||||
| 15 | G | 40.4 | Very low | 45.4 | Very low | 76 Ų | 76 | 124.6 Ų | 124.6 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | trans | 141 | 121.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 16 | G | 41.3 | Very low | 44.9 | Very low | 85 Ų | 85 | 119.8 Ų | 119.8 | 88% | 0.876 | 82% | 0.824 | S | S | * | * | cis | 118.2 | 109.6 | 33 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 17 | G | 36.2 | Very low | 44.4 | Very low | 74 Ų | 74 | 122.8 Ų | 122.8 | 76% | 0.763 | 83% | 0.829 | S | S | * | * | trans | 171.5 | 110.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 18 | Y | 43.6 | Very low | 44 | Very low | 244 Ų | 244 | 118.7 Ų | 118.7 | 96% | 0.957 | 83% | 0.826 | S | S | * | * | trans | -67 | 151.2 | 179.3 | -49.8 | -98.4 | 0 | 0 | 0 | 113.7 | ||||
| 19 | G | 37.6 | Very low | 43.4 | Very low | 82 Ų | 82 | 123 Ų | 123 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | trans | 172.4 | 121.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 20 | G | 37.7 | Very low | 43.4 | Very low | 76 Ų | 76 | 123.7 Ų | 123.7 | 78% | 0.784 | 84% | 0.835 | S | S | * | * | trans | -79.7 | -171.2 | -168.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 21 | P | 47.4 | Very low | 42.9 | Very low | 136 Ų | 136 | 122.8 Ų | 122.8 | 88% | 0.883 | 84% | 0.838 | S | S | * | * | trans | -87.8 | 142.4 | -161.8 | 35.2 | -33.1 | 0 | 0 | 0 | 112.6 | ||||
| 22 | A | 39 | Very low | 42.7 | Very low | 93 Ų | 93 | 125.9 Ų | 125.9 | 77% | 0.769 | 84% | 0.84 | S | S | * | * | trans | -116.7 | 132.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 23 | Q | 42.7 | Very low | 42.7 | Very low | 190 Ų | 190 | 128.5 Ų | 128.5 | 89% | 0.888 | 84% | 0.838 | S | S | * | * | trans | -66.7 | 146.4 | -174.8 | -62.8 | 167.3 | -23.1 | 0 | 0 | 112.3 | ||||
| 24 | H | 41.5 | Very low | 42.6 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 83% | 0.833 | 83% | 0.832 | S | S | * | * | trans | -115.3 | 147.4 | 160 | -75.5 | -82.4 | 0 | 0 | 0 | 110.1 | ||||
| 25 | P | 48.6 | Very low | 42.4 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | trans | -84.1 | 160.9 | -163.9 | 34.3 | -35.3 | 0 | 0 | 0 | 113.6 | ||||
| 26 | A | 42.7 | Very low | 42.6 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -62.2 | 132 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 27 | T | 38.9 | Very low | 42.9 | Very low | 133 Ų | 133 | 139.1 Ų | 139.1 | 82% | 0.816 | 82% | 0.817 | S | S | * | * | trans | -148.9 | 127 | 152.1 | 40.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 28 | A | 38.1 | Very low | 43.5 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | 64.9 | 111 | 144.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | A30 | A28-A30 PolarHBondContact O-N 3.17Š| ||
| 29 | Q | 48.6 | Very low | 43.7 | Very low | 202 Ų | 202 | 134.4 Ų | 134.4 | 94% | 0.944 | 80% | 0.8 | S | S | * | * | trans | -52.9 | 124.8 | 156.7 | -66.6 | 168.9 | -19 | 0 | 0 | 110.7 | ||||
| 30 | A | 37.8 | Very low | 44.5 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | -132.6 | 110.6 | 154.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | A28 Q32 | A28-A30 PolarHBondContact O-N 3.17Å; A30-Q32 PolarHBondContact O-N 3.46Å | ||
| 31 | A | 50.3 | Low | 45.4 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 88% | 0.876 | 78% | 0.782 | S | S | * | * | trans | -65.3 | 111.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 32 | Q | 45.3 | Very low | 46 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -129.4 | 106.1 | 158.6 | -74.3 | -173.5 | -38.7 | 0 | 0 | 106.9 | A30 K34 | A30-Q32 PolarHBondContact O-N 3.46Å; Q32-K34 PolarHBondContact O-N 3.38Å | ||
| 33 | Q | 51.3 | Low | 46.8 | Very low | 177 Ų | 177 | 138.2 Ų | 138.2 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -65.4 | 88.9 | 164 | -75.4 | -165.8 | -4.1 | 0 | 0 | 107.9 | F35 | Q33-F35 PolarHBondContact O-N 3.28Š| ||
| 34 | K | 38.9 | Very low | 47.3 | Very low | 161 Ų | 161 | 136 Ų | 136 | 70% | 0.7 | 76% | 0.762 | S | S | * | * | trans | -82.9 | 103.3 | 169.8 | -156 | 169.3 | -172.1 | 174.5 | 0 | 106 | Q32 H36 | Q32-K34 PolarHBondContact O-N 3.38Å; K34-H36 PolarHBondContact O-N 2.92Å | ||
| 35 | F | 42.1 | Very low | 48 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -61 | 89.4 | 169.2 | -73.1 | -86 | 0 | 0 | 0 | 108.6 | Q33 L37 | Q33-F35 PolarHBondContact O-N 3.28Å; F35-L37 PolarHBondContact O-N 3.11Å | ||
| 36 | H | 45.9 | Very low | 48.3 | Very low | 147 Ų | 147 | 131 Ų | 131 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | trans | -74.9 | 76.5 | 162.8 | -83.4 | -86.7 | 0 | 0 | 0 | 107.6 | K34 V38 | K34-H36 PolarHBondContact O-N 2.92Å; H36-V38 PolarHBondContact O-N 3.4Å | ||
| 37 | L | 47.5 | Very low | 49.1 | Very low | 159 Ų | 159 | 129.3 Ų | 129.3 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | trans | -80.7 | 69.4 | 167 | -159.6 | 72.8 | 0 | 0 | 0 | 108.3 | F35 P39 | F35-L37 PolarHBondContact O-N 3.11Å; L37-P39 WeakPolarHBondContact O-CD 3.37Å | ||
| 38 | V | 47.3 | Very low | 50 | Low | 111 Ų | 111 | 131.5 Ų | 131.5 | 67% | 0.673 | 75% | 0.747 | S | S | * | * | trans | -80.5 | 115.6 | 156 | 179.1 | 0 | 0 | 0 | 0 | 104.8 | H36 S40 | H36-V38 PolarHBondContact O-N 3.4Å; V38-S40 VanDerWaalsContact C-N 3.31Å; V38-S40 PolarHBondContact O-N 2.91Å | ||
| 39 | P | 48.6 | Very low | 51.3 | Low | 108 Ų | 108 | 134.6 Ų | 134.6 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | -65.8 | 97.3 | 174 | -16 | 30.5 | 0 | 0 | 0 | 108 | L37 I41 | L37-P39 WeakPolarHBondContact O-CD 3.37Å; P39-I41 PolarHBondContact O-N 3.26Å; P39-I41 VanDerWaalsContact O-N 3.14Å | ||
| 40 | S | 54.9 | Low | 51.8 | Low | 66 Ų | 66 | 127.5 Ų | 127.5 | 46% | 0.462 | 71% | 0.713 | S | S | . | * | trans | -67.3 | 110.5 | 164.3 | -176.9 | 0 | 0 | 0 | 0 | 106.4 | V38 N42 T43 | V38-S40 VanDerWaalsContact C-N 3.31Å; V38-S40 PolarHBondContact O-N 2.91Å; S40-N42 PolarHBondContact O-N 3.49Å; S40-T43 PolarHBondContact O-N 3.1Å; S40-T43 PolarHBondContact O-OG1 3.19Å | ||
| 41 | I | 56.6 | Low | 52.9 | Low | 151 Ų | 151 | 129.7 Ų | 129.7 | 77% | 0.774 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.8 | -5.3 | 175.6 | 37.7 | 172.3 | 0 | 0 | 0 | 115.2 | P39 | P39-I41 PolarHBondContact O-N 3.26Å; P39-I41 VanDerWaalsContact O-N 3.14Å |
| 42 | N | 58.3 | Low | 53.3 | Low | 128 Ų | 128 | 134.7 Ų | 134.7 | 68% | 0.684 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -7.4 | -179.5 | -68.4 | -4.5 | 0 | 0 | 0 | 114.7 | S40 | S40-N42 PolarHBondContact O-N 3.49Š|
| 43 | T | 57.3 | Low | 54.2 | Low | 121 Ų | 121 | 133.3 Ų | 133.3 | 74% | 0.742 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -87.3 | -5 | -177.9 | -10.9 | 0 | 0 | 0 | 0 | 113.9 | S40 | S40-T43 PolarHBondContact O-N 3.1Å; S40-T43 PolarHBondContact O-OG1 3.19Å |
| 44 | M | 52.9 | Low | 54.9 | Low | 143 Ų | 143 | 130.1 Ų | 130.1 | 70% | 0.704 | 69% | 0.691 | S | S | * | * | trans | -103.3 | 43.4 | 176.6 | -41.4 | -133.7 | 94 | 0 | 0 | 110.8 | L50 | M44-L50 HydrophobicContact CB-CD1 4.2Š| ||
| 45 | S | 55.7 | Low | 55.6 | Low | 113 Ų | 113 | 127.5 Ų | 127.5 | 79% | 0.79 | 68% | 0.682 | S | S | * | * | trans | -120.3 | 43.5 | -177.2 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 46 | G | 55.9 | Low | 56.3 | Low | 81 Ų | 81 | 123.6 Ų | 123.6 | 84% | 0.835 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -131.1 | -6.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 47 | S | 58.2 | Low | 56.4 | Low | 62 Ų | 62 | 123.6 Ų | 123.6 | 43% | 0.434 | 67% | 0.674 | S | S | . | * | trans | -99.2 | 122.4 | 176.3 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | E49 L50 | S47-E49 PolarHBondContact O-N 3.41Å; S47-E49 PolarHBondContact OG-N 3.49Å; S47-L50 PolarHBondContact O-N 3Å; S47-L50 VanDerWaalsContact O-N 3.12Å | ||
| 48 | Q | 58.8 | Low | 56.4 | Low | 180 Ų | 180 | 125.2 Ų | 125.2 | 84% | 0.841 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -57.4 | -19.9 | 178.1 | -168.6 | 165.3 | 35.4 | 0 | 0 | 112.9 | ||
| 49 | E | 64.6 | Low | 56.6 | Low | 161 Ų | 161 | 128.2 Ų | 128.2 | 75% | 0.752 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -76.6 | -22.3 | -179.6 | -164 | 173.9 | -174.7 | 0 | 0 | 113.4 | S47 | S47-E49 PolarHBondContact O-N 3.41Å; S47-E49 PolarHBondContact OG-N 3.49Å |
| 50 | L | 59.7 | Low | 56.3 | Low | 53 Ų | 53 | 125.9 Ų | 125.9 | 28% | 0.277 | 68% | 0.681 | S | S | . | * | G | 310 helix | trans | -95.4 | -0.1 | -175.8 | -56.9 | 176.7 | 0 | 0 | 0 | 113.8 | M44 S47 W52 M53 | M44-L50 HydrophobicContact CB-CD1 4.2Å; S47-L50 PolarHBondContact O-N 3Å; S47-L50 VanDerWaalsContact O-N 3.12Å; L50-W52 PolarHBondContact O-N 2.9Å; L50-M53 HydrophobicContact CD2-CE 3.36Å; L50-M53 PolarHBondContact O-N 2.84Å |
| 51 | Q | 59.7 | Low | 56.4 | Low | 138 Ų | 138 | 129.4 Ų | 129.4 | 65% | 0.645 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -29.6 | -179.5 | -174.3 | 167.8 | 38.3 | 0 | 0 | 113 | M53 | Q51-M53 VanDerWaalsContact C-N 3.29Å; Q51-M53 PolarHBondContact O-N 3.35Å |
| 52 | W | 60.3 | Low | 56 | Low | 211 Ų | 211 | 127.1 Ų | 127.1 | 80% | 0.799 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -20.2 | 176.9 | -63.4 | 105 | 0 | 0 | 0 | 113.7 | L50 | L50-W52 PolarHBondContact O-N 2.9Š|
| 53 | M | 64.4 | Low | 56.2 | Low | 150 Ų | 150 | 125.9 Ų | 125.9 | 74% | 0.739 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -15.3 | -179.3 | -80.6 | -162.3 | -67.3 | 0 | 0 | 114.3 | L50 Q51 | L50-M53 HydrophobicContact CD2-CE 3.36Å; L50-M53 PolarHBondContact O-N 2.84Å; Q51-M53 VanDerWaalsContact C-N 3.29Å; Q51-M53 PolarHBondContact O-N 3.35Å |
| 54 | V | 65.4 | Low | 55.5 | Low | 109 Ų | 109 | 130.1 Ų | 130.1 | 66% | 0.661 | 71% | 0.705 | S | S | * | * | trans | -121.9 | 72.7 | 176.8 | -169.3 | 0 | 0 | 0 | 0 | 109.4 | P56 | V54-P56 WeakPolarHBondContact O-CD 3.43Š| ||
| 55 | Q | 53.3 | Low | 55.9 | Low | 107 Ų | 107 | 129.3 Ų | 129.3 | 50% | 0.5 | 71% | 0.71 | S | S | . | * | trans | -104.3 | 102 | 164.8 | -83.4 | -157.5 | 44.5 | 0 | 0 | 110.8 | H57 | Q55-H57 PolarHBondContact O-N 2.94Å; Q55-H57 PolarHBondContact O-ND1 3.47Å; Q55-H57 PolarHBondContact OE1-CE1 3.45Å | ||
| 56 | P | 56.3 | Low | 55.7 | Low | 96 Ų | 96 | 134.8 Ų | 134.8 | 62% | 0.623 | 71% | 0.714 | S | S | * | * | trans | -75 | 104.9 | 160.9 | 31.9 | -28.9 | 0 | 0 | 0 | 107.1 | V54 F58 | V54-P56 WeakPolarHBondContact O-CD 3.43Å; P56-F58 HydrophobicContact CB-CD2 4.1Å; P56-F58 HydrophobicContact CB-CE2 4.39Å; P56-F58 PolarHBondContact O-N 2.95Å | ||
| 57 | H | 48.8 | Very low | 55.7 | Low | 147 Ų | 147 | 136.7 Ų | 136.7 | 68% | 0.681 | 71% | 0.712 | S | S | * | * | trans | -70.1 | 81 | 172.6 | -74.1 | 67.1 | 0 | 0 | 0 | 109.4 | Q55 L59 | Q55-H57 PolarHBondContact O-N 2.94Å; Q55-H57 PolarHBondContact O-ND1 3.47Å; Q55-H57 PolarHBondContact OE1-CE1 3.45Å; H57-L59 PolarHBondContact O-N 3.19Å | ||
| 58 | F | 46.6 | Very low | 55.1 | Low | 194 Ų | 194 | 141.4 Ų | 141.4 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | trans | -79 | 97.3 | 163.7 | -92.8 | -92.9 | 0 | 0 | 0 | 108.5 | P56 G60 | P56-F58 HydrophobicContact CB-CD2 4.1Å; P56-F58 HydrophobicContact CB-CE2 4.39Å; P56-F58 PolarHBondContact O-N 2.95Å; F58-G60 PolarHBondContact O-N 3.15Å | ||
| 59 | L | 51.8 | Low | 54.8 | Low | 174 Ų | 174 | 139.3 Ų | 139.3 | 91% | 0.911 | 73% | 0.731 | S | S | * | * | trans | -86 | 94.4 | 163.5 | -66.1 | 174.3 | 0 | 0 | 0 | 108 | H57 | H57-L59 PolarHBondContact O-N 3.19Š| ||
| 60 | G | 43.3 | Very low | 53.9 | Low | 58 Ų | 58 | 141 Ų | 141 | 60% | 0.598 | 73% | 0.732 | S | S | * | * | trans | -141.7 | 145.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | F58 S62 | F58-G60 PolarHBondContact O-N 3.15Å; G60-S62 PolarHBondContact O-N 3.45Å | ||
| 61 | P | 55.6 | Low | 53.5 | Low | 140 Ų | 140 | 143.4 Ų | 143.4 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | trans | -86.1 | 118.8 | -143.3 | 32.8 | -32.3 | 0 | 0 | 0 | 112.3 | ||||
| 62 | S | 48.5 | Very low | 53.1 | Low | 103 Ų | 103 | 145.1 Ų | 145.1 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | trans | -102.6 | 117 | 167.4 | -167.1 | 0 | 0 | 0 | 0 | 110.1 | G60 | G60-S62 PolarHBondContact O-N 3.45Š| ||
| 63 | S | 62.1 | Low | 52.4 | Low | 102 Ų | 102 | 144.6 Ų | 144.6 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | -70 | 115.2 | 178.4 | 49.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 64 | Y | 43.2 | Very low | 52.2 | Low | 211 Ų | 211 | 141.8 Ų | 141.8 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | trans | -142.9 | 137.3 | 146.5 | -72.3 | -74 | 0 | 0 | 0 | 110.2 | ||||
| 65 | P | 61.7 | Low | 51.9 | Low | 125 Ų | 125 | 141.9 Ų | 141.9 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | trans | -90.1 | 124.1 | -175.2 | 34.1 | -28.9 | 0 | 0 | 0 | 110.1 | ||||
| 66 | R | 51.5 | Low | 52.2 | Low | 228 Ų | 228 | 142 Ų | 142 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -147.5 | 128.3 | 152.5 | -116.4 | -177.9 | 177.3 | -94.2 | -0.4 | 109.9 | L68 | R66-L68 PolarHBondContact O-N 3.26Š| ||
| 67 | P | 56.1 | Low | 52.5 | Low | 122 Ų | 122 | 145.4 Ų | 145.4 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | trans | -81.1 | 106.4 | -178 | 32.1 | -29 | 0 | 0 | 0 | 108.1 | ||||
| 68 | L | 45.9 | Very low | 52.9 | Low | 160 Ų | 160 | 143.5 Ų | 143.5 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | -108 | 103.1 | 159.4 | -79.1 | 171.4 | 0 | 0 | 0 | 107.2 | R66 Y70 | R66-L68 PolarHBondContact O-N 3.26Å; L68-Y70 PolarHBondContact O-N 2.81Å | ||
| 69 | T | 53.1 | Low | 53.4 | Low | 136 Ų | 136 | 144.5 Ų | 144.5 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -42.3 | 106.9 | 163.4 | -48.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 70 | Y | 44.9 | Very low | 53.4 | Low | 197 Ų | 197 | 142.8 Ų | 142.8 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -69 | 131.4 | 168.2 | -124.7 | -95.8 | 0 | 0 | 0 | 107.6 | L68 Q72 | L68-Y70 PolarHBondContact O-N 2.81Å; Y70-Q72 PolarHBondContact O-N 3.42Å; Y70-Q72 VanDerWaalsContact O-N 3.15Å | ||
| 71 | P | 51.5 | Low | 54.1 | Low | 103 Ų | 103 | 143.9 Ų | 143.9 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | trans | -58.1 | 122.9 | 162 | -15.7 | 28.8 | 0 | 0 | 0 | 107.3 | Y73 | P71-Y73 PolarHBondContact O-N 3.31Š| ||
| 72 | Q | 50.4 | Low | 53.9 | Low | 174 Ų | 174 | 142.5 Ų | 142.5 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -45.7 | 103.9 | 165.7 | -103.8 | -84.7 | 24.4 | 0 | 0 | 108.4 | Y70 S74 | Y70-Q72 PolarHBondContact O-N 3.42Å; Y70-Q72 VanDerWaalsContact O-N 3.15Å; Q72-S74 VanDerWaalsContact C-N 3.27Å; Q72-S74 PolarHBondContact O-N 2.94Å | ||
| 73 | Y | 45.3 | Very low | 54.3 | Low | 201 Ų | 201 | 145.3 Ų | 145.3 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | trans | -68.8 | 93.7 | 176.3 | -123.6 | -90 | 0 | 0 | 0 | 107 | P71 | P71-Y73 PolarHBondContact O-N 3.31Š| ||
| 74 | S | 60.7 | Low | 54 | Low | 90 Ų | 90 | 149.7 Ų | 149.7 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 133.7 | 169.2 | -61.6 | 0 | 0 | 0 | 0 | 108 | Q72 | Q72-S74 VanDerWaalsContact C-N 3.27Å; Q72-S74 PolarHBondContact O-N 2.94Å |
| 75 | P | 60.2 | Low | 54.6 | Low | 111 Ų | 111 | 143.8 Ų | 143.8 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 136.3 | 175.8 | -23.4 | 32.1 | 0 | 0 | 0 | 110 | Q77 | P75-Q77 PolarHBondContact O-N 2.99Å; P75-Q77 VanDerWaalsContact O-N 3.12Å |
| 76 | P | 59.5 | Low | 54.4 | Low | 109 Ų | 109 | 145.9 Ų | 145.9 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 122.4 | -179 | 22.6 | -30.9 | 0 | 0 | 0 | 109.5 | ||
| 77 | Q | 62.5 | Low | 54.7 | Low | 168 Ų | 168 | 137.7 Ų | 137.7 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 135.5 | 174.1 | -70.3 | -72.8 | -24.1 | 0 | 0 | 109.8 | P75 R79 | P75-Q77 PolarHBondContact O-N 2.99Å; P75-Q77 VanDerWaalsContact O-N 3.12Å; Q77-R79 PolarHBondContact O-N 3.29Å; Q77-R79 VanDerWaalsContact O-N 3.11Å |
| 78 | P | 57.3 | Low | 55 | Low | 107 Ų | 107 | 137.5 Ų | 137.5 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -64 | 116.3 | 179.9 | 25.2 | -30.8 | 0 | 0 | 0 | 109.2 | P80 | P78-P80 WeakPolarHBondContact O-CD 3.47Š|
| 79 | R | 55.5 | Low | 55.6 | Low | 216 Ų | 216 | 134.3 Ų | 134.3 | 82% | 0.815 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -67 | 123.6 | 170.1 | -68 | -167.8 | -177.3 | -173.2 | 1.5 | 108.5 | Q77 G81 | Q77-R79 PolarHBondContact O-N 3.29Å; Q77-R79 VanDerWaalsContact O-N 3.11Å; R79-G81 PolarHBondContact O-N 2.94Å |
| 80 | P | 52.6 | Low | 55.8 | Low | 138 Ų | 138 | 134.5 Ų | 134.5 | 90% | 0.896 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | 125.7 | 173.7 | -23.4 | 33.9 | 0 | 0 | 0 | 110.1 | P78 | P78-P80 WeakPolarHBondContact O-CD 3.47Š|
| 81 | G | 57.2 | Low | 56.4 | Low | 80 Ų | 80 | 128.7 Ų | 128.7 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 113.5 | -7.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | R79 | R79-G81 PolarHBondContact O-N 2.94Š|
| 82 | V | 52.6 | Low | 56.5 | Low | 111 Ų | 111 | 128.6 Ų | 128.6 | 67% | 0.673 | 75% | 0.75 | S | S | * | * | trans | -91.6 | 105.3 | 168.2 | 177.8 | 0 | 0 | 0 | 0 | 108.4 | R84 | V82-R84 HydrophobicContact CG1-CG 4.42Å; V82-R84 PolarHBondContact O-N 3.47Å | ||
| 83 | I | 57.2 | Low | 56.8 | Low | 162 Ų | 162 | 131.5 Ų | 131.5 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | trans | -67.6 | 85.5 | 166.6 | -56.1 | 175.1 | 0 | 0 | 0 | 107 | A85 | I83-A85 VanDerWaalsContact C-N 3.26Å; I83-A85 PolarHBondContact O-N 3.05Å | ||
| 84 | R | 55 | Low | 57.4 | Low | 195 Ų | 195 | 132 Ų | 132 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | -64.8 | 98.6 | 153.1 | -87.6 | 178.3 | 165.8 | 162.4 | -4.2 | 104.8 | V82 L86 | V82-R84 HydrophobicContact CG1-CG 4.42Å; V82-R84 PolarHBondContact O-N 3.47Å; R84-L86 PolarHBondContact O-N 3.04Å | ||
| 85 | A | 55.9 | Low | 57.2 | Low | 86 Ų | 86 | 137.4 Ų | 137.4 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | -50.3 | 114 | 158 | 0 | 0 | 0 | 0 | 0 | 105.3 | I83 G87 | I83-A85 VanDerWaalsContact C-N 3.26Å; I83-A85 PolarHBondContact O-N 3.05Å; A85-G87 PolarHBondContact O-N 3.31Å | ||
| 86 | L | 57.1 | Low | 57 | Low | 170 Ų | 170 | 137.8 Ų | 137.8 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | trans | -63.6 | 86.7 | 179.3 | -65.7 | 172.7 | 0 | 0 | 0 | 106.8 | R84 | R84-L86 PolarHBondContact O-N 3.04Š| ||
| 87 | G | 58.4 | Low | 56.5 | Low | 56 Ų | 56 | 137.8 Ų | 137.8 | 58% | 0.577 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 141.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108 | A85 | A85-G87 PolarHBondContact O-N 3.31Š|
| 88 | P | 62.6 | Low | 56 | Low | 117 Ų | 117 | 137.3 Ų | 137.3 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 146.5 | -178.1 | -21.9 | 31 | 0 | 0 | 0 | 111.5 | ||
| 89 | P | 58.4 | Low | 55.9 | Low | 94 Ų | 94 | 140.4 Ų | 140.4 | 61% | 0.61 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 148.3 | -175.2 | 23.8 | -33.8 | 0 | 0 | 0 | 112.3 | G91 | P89-G91 PolarHBondContact O-N 3.42Å; P89-G91 VanDerWaalsContact O-N 3.1Å |
| 90 | P | 56.1 | Low | 56 | Low | 139 Ų | 139 | 133.6 Ų | 133.6 | 90% | 0.903 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 109.1 | -179.3 | 29.5 | -31.7 | 0 | 0 | 0 | 109 | ||
| 91 | G | 57.4 | Low | 57.1 | Low | 75 Ų | 75 | 129.9 Ų | 129.9 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 147.9 | -14.9 | 177 | 0 | 0 | 0 | 0 | 0 | 115.5 | P89 R93 | P89-G91 PolarHBondContact O-N 3.42Å; P89-G91 VanDerWaalsContact O-N 3.1Å; G91-R93 PolarHBondContact O-N 3.4Å; G91-R93 VanDerWaalsContact O-N 3.12Å |
| 92 | V | 54.1 | Low | 58.1 | Low | 102 Ų | 102 | 131.1 Ų | 131.1 | 62% | 0.618 | 72% | 0.718 | S | S | * | * | trans | -79.1 | 101.7 | 175.2 | -169.6 | 0 | 0 | 0 | 0 | 108.8 | R94 | V92-R94 PolarHBondContact O-N 2.86Š| ||
| 93 | R | 57.7 | Low | 59.4 | Low | 235 Ų | 235 | 131 Ų | 131 | 89% | 0.887 | 71% | 0.71 | S | S | * | * | trans | -47.4 | 115.2 | 160.8 | -75.1 | -162.4 | -87.8 | -159.1 | -4.3 | 106.9 | G91 R95 | G91-R93 PolarHBondContact O-N 3.4Å; G91-R93 VanDerWaalsContact O-N 3.12Å; R93-R95 PolarHBondContact O-N 2.82Å | ||
| 94 | R | 56.9 | Low | 60.8 | Low | 210 Ų | 210 | 128.7 Ų | 128.7 | 79% | 0.792 | 70% | 0.695 | S | S | * | * | trans | -32.9 | 104.8 | 177.5 | -78 | -92.5 | -172.3 | 178 | -4.1 | 109.4 | V92 P96 | V92-R94 PolarHBondContact O-N 2.86Å; R94-P96 WeakPolarHBondContact O-CD 3.37Å | ||
| 95 | R | 57.6 | Low | 62.4 | Low | 205 Ų | 205 | 125.2 Ų | 125.2 | 77% | 0.774 | 69% | 0.687 | S | S | * | * | trans | -58.2 | 120.9 | 178.1 | -152.2 | -153.7 | -158 | -158.4 | 8.8 | 107.6 | R93 C97 | R93-R95 PolarHBondContact O-N 2.82Å; R95-C97 PolarHBondContact O-N 3.2Å | ||
| 96 | P | 55.5 | Low | 64.1 | Low | 118 Ų | 118 | 127.3 Ų | 127.3 | 77% | 0.766 | 68% | 0.682 | S | S | * | * | trans | -67.2 | 127.5 | 172.9 | -22.9 | 36.3 | 0 | 0 | 0 | 110.7 | R94 | R94-P96 WeakPolarHBondContact O-CD 3.37Š| ||
| 97 | C | 49.6 | Very low | 65.8 | Low | 110 Ų | 110 | 126 Ų | 126 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | trans | 43.4 | 104.3 | 159 | -131.3 | 0 | 0 | 0 | 0 | 118.1 | R95 | R95-C97 PolarHBondContact O-N 3.2Š| ||
| 98 | E | 51.9 | Low | 67.5 | Low | 157 Ų | 157 | 128.1 Ų | 128.1 | 73% | 0.734 | 66% | 0.656 | S | S | * | * | S | Bend | -141.4 | 117.4 | 122.3 | -71 | -164.4 | 159.4 | 0 | 0 | 107.8 | |||
| 99 | Q | 54.7 | Low | 69 | Low | 173 Ų | 173 | 130.3 Ų | 130.3 | 81% | 0.808 | 65% | 0.649 | S | S | * | * | trans | 71.5 | 59.2 | 163 | -50.7 | 167.3 | 40.9 | 0 | 0 | 117.6 | S101 | Q99-S101 PolarHBondContact O-N 2.9Š| ||
| 100 | I | 57.9 | Low | 70.8 | Confident | 73 Ų | 73 | 128.2 Ų | 128.2 | 37% | 0.374 | 64% | 0.635 | S | S | . | * | trans | -72.8 | 117.5 | 144.7 | -51.6 | 175.1 | 0 | 0 | 0 | 104 | E104 E105 | I100-E104 HydrophobicContact CG2-CB 3.55Å; I100-E104 HydrophobicContact CG2-CG 3.61Å; I100-E105 HydrophobicContact CG2-CB 4.14Å | ||
| 101 | S | 74.9 | Confident | 72.8 | Confident | 59 Ų | 59 | 129.6 Ų | 129.6 | 41% | 0.413 | 62% | 0.622 | S | S | . | * | trans | -49.3 | 139.6 | 175.5 | 172.2 | 0 | 0 | 0 | 0 | 108.6 | Q99 E103 E104 E105 | Q99-S101 PolarHBondContact O-N 2.9Å; S101-E103 CarbonylContact O-C 3.6Å; S101-E103 PolarHBondContact O-N 3.19Å; S101-E104 WeakPolarHBondContact O-CA 3.4Å; S101-E104 PolarHBondContact O-N 3.42Å; S101-E105 PolarHBondContact O-N 3.37Å | ||
| 102 | P | 78 | Confident | 74.8 | Confident | 107 Ų | 107 | 133.6 Ų | 133.6 | 70% | 0.695 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -50.1 | -31.7 | 178.9 | 18.9 | -32.1 | 0 | 0 | 0 | 112.2 | E106 | P102-E106 PolarHBondContact O-N 3.45Å; P102-E106 VanDerWaalsContact O-N 3.12Å |
| 103 | E | 80.5 | Confident | 76.8 | Confident | 108 Ų | 108 | 132.4 Ų | 132.4 | 51% | 0.505 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.5 | -38.7 | 173.2 | -162.3 | -163.6 | 148.1 | 0 | 0 | 113.6 | S101 R107 | S101-E103 CarbonylContact O-C 3.6Å; S101-E103 PolarHBondContact O-N 3.19Å; E103-R107 WeakPolarHBondContact O-CG 3.36Å; E103-R107 PolarHBondContact O-N 3.41Å; E103-R107 VanDerWaalsContact O-N 3.1Å; E103-R107 IonicContact OE1-CZ 3.5Å; E103-R107 IonicContact OE1-NE 3.34Å; E103-R107 PolarHBondContact OE1-NE 3.07Å; E103-R107 IonicContact OE1-NH2 2.78Å; E103-R107 PolarHBondContact OE1-NH2 2.85Å |
| 104 | E | 87.3 | Confident | 78.8 | Confident | 113 Ų | 113 | 129.8 Ų | 129.8 | 53% | 0.528 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -74.7 | -31.7 | 177.4 | -174.5 | -177.6 | -177.9 | 0 | 0 | 111.9 | I100 S101 R107 R108 | I100-E104 HydrophobicContact CG2-CB 3.55Å; I100-E104 HydrophobicContact CG2-CG 3.61Å; S101-E104 WeakPolarHBondContact O-CA 3.4Å; S101-E104 PolarHBondContact O-N 3.42Å; E104-R107 PolarHBondContact O-N 3.44Å; E104-R108 WeakPolarHBondContact O-CB 3.34Å; E104-R108 PolarHBondContact O-N 2.92Å |
| 105 | E | 89.1 | Confident | 80.8 | Confident | 122 Ų | 122 | 125.2 Ų | 125.2 | 57% | 0.57 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.1 | -42.7 | 172.8 | -178.7 | 164.3 | -143.3 | 0 | 0 | 111.3 | I100 S101 R108 R109 | I100-E105 HydrophobicContact CG2-CB 4.14Å; S101-E105 PolarHBondContact O-N 3.37Å; E105-R108 CarbonylContact O-C 3.58Å; E105-R108 WeakPolarHBondContact O-CA 3.36Å; E105-R108 WeakPolarHBondContact O-CB 3.34Å; E105-R108 PolarHBondContact O-N 2.99Å; E105-R108 VanDerWaalsContact O-N 3.08Å; E105-R109 PolarHBondContact O-N 3.32Å |
| 106 | E | 90.1 | Very high | 82.7 | Confident | 130 Ų | 130 | 123 Ų | 123 | 61% | 0.607 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.9 | -45.8 | 174.7 | -171.8 | 172.9 | -161.9 | 0 | 0 | 111.5 | P102 R108 R109 V110 | P102-E106 PolarHBondContact O-N 3.45Å; P102-E106 VanDerWaalsContact O-N 3.12Å; E106-R108 PolarHBondContact O-N 3.39Å; E106-R109 WeakPolarHBondContact O-CB 3.48Å; E106-R109 PolarHBondContact O-N 3.38Å; E106-V110 WeakPolarHBondContact O-CG2 3.29Å; E106-V110 PolarHBondContact O-N 3.5Å |
| 107 | R | 92.8 | Very high | 84.8 | Confident | 142 Ų | 142 | 123.3 Ų | 123.3 | 54% | 0.536 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -57.8 | -33.4 | 172.8 | -71.8 | 174.8 | -172.1 | -91.6 | 2.8 | 112.3 | E103 E104 R111 | E103-R107 WeakPolarHBondContact O-CG 3.36Å; E103-R107 PolarHBondContact O-N 3.41Å; E103-R107 VanDerWaalsContact O-N 3.1Å; E103-R107 IonicContact OE1-CZ 3.5Å; E103-R107 IonicContact OE1-NE 3.34Å; E103-R107 PolarHBondContact OE1-NE 3.07Å; E103-R107 IonicContact OE1-NH2 2.78Å; E103-R107 PolarHBondContact OE1-NH2 2.85Å; E104-R107 PolarHBondContact O-N 3.44Å; R107-R111 WeakPolarHBondContact O-CG 3.35Å; R107-R111 PolarHBondContact O-N 2.91Å; R107-R111 PolarHBondContact O-NH1 3Å |
| 108 | R | 94.6 | Very high | 87.1 | Confident | 101 Ų | 101 | 120.8 Ų | 120.8 | 38% | 0.381 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -72.8 | -39.1 | 175.3 | -165.8 | -178 | -170.9 | 99.4 | 2.8 | 111.5 | E104 E105 E106 R111 R112 | E104-R108 WeakPolarHBondContact O-CB 3.34Å; E104-R108 PolarHBondContact O-N 2.92Å; E105-R108 CarbonylContact O-C 3.58Å; E105-R108 WeakPolarHBondContact O-CA 3.36Å; E105-R108 WeakPolarHBondContact O-CB 3.34Å; E105-R108 PolarHBondContact O-N 2.99Å; E105-R108 VanDerWaalsContact O-N 3.08Å; E106-R108 PolarHBondContact O-N 3.39Å; R108-R111 PolarHBondContact O-N 3.5Å; R108-R112 WeakPolarHBondContact O-CG 3.39Å; R108-R112 PolarHBondContact O-N 2.85Å |
| 109 | R | 95 | Very high | 89.3 | Confident | 164 Ų | 164 | 115 Ų | 115 | 62% | 0.619 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.6 | -50 | 176.1 | -164.4 | -177.1 | -155.4 | -105.7 | 11.6 | 111.2 | E105 E106 R111 R112 E113 | E105-R109 PolarHBondContact O-N 3.32Å; E106-R109 WeakPolarHBondContact O-CB 3.48Å; E106-R109 PolarHBondContact O-N 3.38Å; R109-R111 VanDerWaalsContact C-N 3.29Å; R109-R111 PolarHBondContact O-N 2.78Å; R109-R112 WeakPolarHBondContact O-CB 3.42Å; R109-R112 PolarHBondContact O-N 3.25Å; R109-E113 IonicContact CZ-OE1 3.4Å; R109-E113 IonicContact NE-OE1 3.77Å; R109-E113 IonicContact NH1-OE1 3.19Å; R109-E113 PolarHBondContact NH1-OE1 3.11Å; R109-E113 WeakPolarHBondContact O-CG 3.45Å; R109-E113 PolarHBondContact O-N 3.07Å |
| 110 | V | 96.3 | Very high | 91.4 | Very high | 50 Ų | 50 | 108.9 Ų | 108.9 | 30% | 0.303 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58 | -41.1 | 177.5 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | E106 E113 R114 | E106-V110 WeakPolarHBondContact O-CG2 3.29Å; E106-V110 PolarHBondContact O-N 3.5Å; V110-E113 PolarHBondContact O-N 3.25Å; V110-R114 HydrophobicContact CG1-CG 4.46Å; V110-R114 WeakPolarHBondContact O-CB 3.39Å; V110-R114 WeakPolarHBondContact O-CG 3.39Å; V110-R114 PolarHBondContact O-N 3.48Å |
| 111 | R | 97.7 | Very high | 93.4 | Very high | 167 Ų | 167 | 113 Ų | 113 | 63% | 0.63 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.2 | -42.3 | 175.6 | -75.4 | -172.9 | -174 | 99.4 | -9.3 | 112.5 | R107 R108 R109 N115 | R107-R111 WeakPolarHBondContact O-CG 3.35Å; R107-R111 PolarHBondContact O-N 2.91Å; R107-R111 PolarHBondContact O-NH1 3Å; R108-R111 PolarHBondContact O-N 3.5Å; R109-R111 VanDerWaalsContact C-N 3.29Å; R109-R111 PolarHBondContact O-N 2.78Å; R111-N115 VanDerWaalsContact O-CB 3.31Å; R111-N115 WeakPolarHBondContact O-CB 3.36Å; R111-N115 PolarHBondContact O-N 2.87Å |
| 112 | R | 97.9 | Very high | 94.5 | Very high | 160 Ų | 160 | 114.5 Ų | 114.5 | 60% | 0.604 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.1 | -39.8 | 176.5 | -73.6 | 175.6 | 175.5 | 168.5 | -2.3 | 111.7 | R108 R109 N115 K116 | R108-R112 WeakPolarHBondContact O-CG 3.39Å; R108-R112 PolarHBondContact O-N 2.85Å; R109-R112 WeakPolarHBondContact O-CB 3.42Å; R109-R112 PolarHBondContact O-N 3.25Å; R112-N115 PolarHBondContact O-N 3.38Å; R112-K116 VanDerWaalsContact O-CB 3.25Å; R112-K116 WeakPolarHBondContact O-CB 3.43Å; R112-K116 PolarHBondContact O-N 3.43Å |
| 113 | E | 97.8 | Very high | 95.5 | Very high | 76 Ų | 76 | 118.3 Ų | 118.3 | 36% | 0.355 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66 | -47 | 176.6 | -73.7 | 172.9 | -174.6 | 0 | 0 | 111.9 | R109 V110 N115 K116 L117 | R109-E113 IonicContact CZ-OE1 3.4Å; R109-E113 IonicContact NE-OE1 3.77Å; R109-E113 IonicContact NH1-OE1 3.19Å; R109-E113 PolarHBondContact NH1-OE1 3.11Å; R109-E113 WeakPolarHBondContact O-CG 3.45Å; R109-E113 PolarHBondContact O-N 3.07Å; V110-E113 PolarHBondContact O-N 3.25Å; E113-N115 VanDerWaalsContact C-N 3.31Å; E113-N115 PolarHBondContact O-N 2.95Å; E113-K116 WeakPolarHBondContact O-CB 3.28Å; E113-K116 PolarHBondContact O-N 3.27Å; E113-K116 VanDerWaalsContact O-N 3.16Å; E113-L117 WeakPolarHBondContact O-CG 3.4Å; E113-L117 PolarHBondContact O-N 2.93Å |
| 114 | R | 98.6 | Very high | 96.3 | Very high | 181 Ų | 181 | 117.5 Ų | 117.5 | 68% | 0.683 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.1 | -44.3 | 173.4 | -73.6 | 178.9 | -177 | 168.1 | 2.7 | 111.5 | V110 L117 A118 | V110-R114 HydrophobicContact CG1-CG 4.46Å; V110-R114 WeakPolarHBondContact O-CB 3.39Å; V110-R114 WeakPolarHBondContact O-CG 3.39Å; V110-R114 PolarHBondContact O-N 3.48Å; R114-L117 PolarHBondContact O-N 2.99Å; R114-A118 VanDerWaalsContact O-CB 3.32Å; R114-A118 WeakPolarHBondContact O-CB 3.43Å; R114-A118 PolarHBondContact O-N 3.38Å |
| 115 | N | 98.3 | Very high | 96.9 | Very high | 114 Ų | 114 | 121.3 Ų | 121.3 | 61% | 0.61 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.2 | -38.4 | 176.6 | -177.1 | -101.1 | 0 | 0 | 0 | 112.3 | R111 R112 E113 A118 A119 | R111-N115 VanDerWaalsContact O-CB 3.31Å; R111-N115 WeakPolarHBondContact O-CB 3.36Å; R111-N115 PolarHBondContact O-N 2.87Å; R112-N115 PolarHBondContact O-N 3.38Å; E113-N115 VanDerWaalsContact C-N 3.31Å; E113-N115 PolarHBondContact O-N 2.95Å; N115-A118 PolarHBondContact O-N 2.92Å; N115-A119 VanDerWaalsContact O-CB 3.3Å; N115-A119 WeakPolarHBondContact O-CB 3.39Å; N115-A119 PolarHBondContact O-N 3.29Å |
| 116 | K | 98.6 | Very high | 97.3 | Very high | 158 Ų | 158 | 124.9 Ų | 124.9 | 69% | 0.687 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.3 | -46.9 | 175.1 | -177.1 | -178.8 | -179.8 | -176.4 | 0 | 110.9 | R112 E113 A119 A120 | R112-K116 VanDerWaalsContact O-CB 3.25Å; R112-K116 WeakPolarHBondContact O-CB 3.43Å; R112-K116 PolarHBondContact O-N 3.43Å; E113-K116 WeakPolarHBondContact O-CB 3.28Å; E113-K116 PolarHBondContact O-N 3.27Å; E113-K116 VanDerWaalsContact O-N 3.16Å; K116-A119 PolarHBondContact O-N 3.45Å; K116-A120 WeakPolarHBondContact O-CB 2.77Å; K116-A120 PolarHBondContact O-N 3.21Å |
| 117 | L | 98.4 | Very high | 97.7 | Very high | 124 Ų | 124 | 125 Ų | 125 | 65% | 0.649 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66 | -42.3 | 176.4 | -66.8 | 175.6 | 0 | 0 | 0 | 111.7 | E113 R114 A119 A120 K121 | E113-L117 WeakPolarHBondContact O-CG 3.4Å; E113-L117 PolarHBondContact O-N 2.93Å; R114-L117 PolarHBondContact O-N 2.99Å; L117-A119 PolarHBondContact O-N 3Å; L117-A120 PolarHBondContact O-N 3Å; L117-K121 WeakPolarHBondContact O-CB 3.38Å; L117-K121 PolarHBondContact O-N 3.47Å |
| 118 | A | 98.6 | Very high | 98 | Very high | 58 Ų | 58 | 124 Ų | 124 | 48% | 0.479 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.7 | -42.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R114 N115 K121 C122 | R114-A118 VanDerWaalsContact O-CB 3.32Å; R114-A118 WeakPolarHBondContact O-CB 3.43Å; R114-A118 PolarHBondContact O-N 3.38Å; N115-A118 PolarHBondContact O-N 2.92Å; A118-K121 PolarHBondContact O-N 3.44Å; A118-C122 WeakPolarHBondContact O-CB 3.29Å; A118-C122 PolarHBondContact O-N 2.89Å |
| 119 | A | 98.6 | Very high | 98.2 | Very high | 36 Ų | 36 | 124 Ų | 124 | 30% | 0.298 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.7 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N115 K116 L117 C122 R123 | N115-A119 VanDerWaalsContact O-CB 3.3Å; N115-A119 WeakPolarHBondContact O-CB 3.39Å; N115-A119 PolarHBondContact O-N 3.29Å; K116-A119 PolarHBondContact O-N 3.45Å; L117-A119 PolarHBondContact O-N 3Å; A119-C122 PolarHBondContact O-N 3.49Å; A119-R123 WeakPolarHBondContact O-CG 3.44Å; A119-R123 PolarHBondContact O-N 2.93Å |
| 120 | A | 98.6 | Very high | 98.4 | Very high | 44 Ų | 44 | 120 Ų | 120 | 36% | 0.364 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.1 | -46.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K116 L117 C122 R123 N124 | K116-A120 WeakPolarHBondContact O-CB 2.77Å; K116-A120 PolarHBondContact O-N 3.21Å; L117-A120 PolarHBondContact O-N 3Å; A120-C122 VanDerWaalsContact C-N 3.34Å; A120-C122 PolarHBondContact O-N 3.4Å; A120-R123 PolarHBondContact O-N 3.34Å; A120-N124 WeakPolarHBondContact O-CB 3.29Å; A120-N124 PolarHBondContact O-N 3.23Å; A120-N124 PolarHBondContact O-OD1 2.81Å |
| 121 | K | 98.8 | Very high | 98.5 | Very high | 160 Ų | 160 | 121.6 Ų | 121.6 | 70% | 0.696 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.6 | -39.4 | 176.7 | -171.8 | 174.7 | -176.5 | 175.9 | 0 | 112.4 | L117 A118 N124 R125 | L117-K121 WeakPolarHBondContact O-CB 3.38Å; L117-K121 PolarHBondContact O-N 3.47Å; A118-K121 PolarHBondContact O-N 3.44Å; K121-N124 PolarHBondContact O-N 2.91Å; K121-R125 WeakPolarHBondContact O-CB 3.46Å; K121-R125 PolarHBondContact O-N 3.05Å |
| 122 | C | 98.7 | Very high | 98.6 | Very high | 90 Ų | 90 | 119.9 Ų | 119.9 | 61% | 0.608 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63 | -45.8 | 175.7 | -176.4 | 0 | 0 | 0 | 0 | 111.6 | A118 A119 A120 R125 R126 | A118-C122 WeakPolarHBondContact O-CB 3.29Å; A118-C122 PolarHBondContact O-N 2.89Å; A119-C122 PolarHBondContact O-N 3.49Å; A120-C122 VanDerWaalsContact C-N 3.34Å; A120-C122 PolarHBondContact O-N 3.4Å; C122-R125 PolarHBondContact O-N 3Å; C122-R126 PolarHBondContact O-N 3.35Å; C122-R126 VanDerWaalsContact O-N 3.08Å |
| 123 | R | 98.7 | Very high | 98.6 | Very high | 187 Ų | 187 | 116.8 Ų | 116.8 | 71% | 0.706 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.7 | -44.7 | 175.3 | -70.2 | 172.6 | -177.6 | 170.6 | -0.1 | 111.7 | A119 A120 R126 K127 | A119-R123 WeakPolarHBondContact O-CG 3.44Å; A119-R123 PolarHBondContact O-N 2.93Å; A120-R123 PolarHBondContact O-N 3.34Å; R123-R126 PolarHBondContact O-N 3.13Å; R123-K127 PolarHBondContact O-N 2.81Å |
| 124 | N | 98.6 | Very high | 98.7 | Very high | 91 Ų | 91 | 118.2 Ų | 118.2 | 49% | 0.487 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.4 | -48.1 | 177.6 | -78.9 | 14.6 | 0 | 0 | 0 | 111.4 | A120 K121 R126 K127 E128 | A120-N124 WeakPolarHBondContact O-CB 3.29Å; A120-N124 PolarHBondContact O-N 3.23Å; A120-N124 PolarHBondContact O-OD1 2.81Å; K121-N124 PolarHBondContact O-N 2.91Å; N124-R126 VanDerWaalsContact C-N 3.25Å; N124-R126 PolarHBondContact O-N 3.02Å; N124-K127 CarbonylContact O-C 3.58Å; N124-K127 WeakPolarHBondContact O-CA 3.4Å; N124-K127 WeakPolarHBondContact O-CB 3.4Å; N124-K127 PolarHBondContact O-N 3.34Å; N124-E128 WeakPolarHBondContact O-CB 3.39Å; N124-E128 WeakPolarHBondContact O-CG 3.1Å; N124-E128 PolarHBondContact O-N 2.94Å |
| 125 | R | 98.8 | Very high | 98.7 | Very high | 192 Ų | 192 | 112.3 Ų | 112.3 | 73% | 0.725 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59.3 | -38 | 178.2 | -171.6 | 177.2 | -176.2 | -169.2 | 1.3 | 112.3 | K121 C122 L129 | K121-R125 WeakPolarHBondContact O-CB 3.46Å; K121-R125 PolarHBondContact O-N 3.05Å; C122-R125 PolarHBondContact O-N 3Å; R125-L129 WeakPolarHBondContact O-CB 3.35Å; R125-L129 PolarHBondContact O-N 3.05Å |
| 126 | R | 98.8 | Very high | 98.7 | Very high | 197 Ų | 197 | 110.2 Ų | 110.2 | 74% | 0.743 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66 | -44.2 | 174.6 | -173.8 | 175.9 | -179.8 | 174.6 | 0.4 | 111.3 | C122 R123 N124 L129 T130 | C122-R126 PolarHBondContact O-N 3.35Å; C122-R126 VanDerWaalsContact O-N 3.08Å; R123-R126 PolarHBondContact O-N 3.13Å; N124-R126 VanDerWaalsContact C-N 3.25Å; N124-R126 PolarHBondContact O-N 3.02Å; R126-L129 PolarHBondContact O-N 3.33Å; R126-T130 PolarHBondContact O-N 2.8Å; R126-T130 VanDerWaalsContact O-N 3.07Å; R126-T130 PolarHBondContact O-OG1 3.47Å |
| 127 | K | 98.8 | Very high | 98.7 | Very high | 133 Ų | 133 | 105.8 Ų | 105.8 | 58% | 0.578 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.4 | -50.1 | 176.7 | -174.7 | -175.5 | 173.7 | -171.9 | 0 | 111.4 | R123 N124 L129 T130 D131 | R123-K127 PolarHBondContact O-N 2.81Å; N124-K127 CarbonylContact O-C 3.58Å; N124-K127 WeakPolarHBondContact O-CA 3.4Å; N124-K127 WeakPolarHBondContact O-CB 3.4Å; N124-K127 PolarHBondContact O-N 3.34Å; K127-L129 VanDerWaalsContact C-N 3.27Å; K127-L129 PolarHBondContact O-N 2.94Å; K127-T130 CarbonylContact O-C 3.56Å; K127-T130 WeakPolarHBondContact O-CA 3.3Å; K127-T130 WeakPolarHBondContact O-CB 3.43Å; K127-T130 PolarHBondContact O-N 2.91Å; K127-D131 WeakPolarHBondContact CE-OD2 3.16Å; K127-D131 VanDerWaalsContact O-CG 3.25Å; K127-D131 PolarHBondContact O-N 3.04Å |
| 128 | E | 98.7 | Very high | 98.7 | Very high | 120 Ų | 120 | 103.2 Ų | 103.2 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -56.3 | -40.6 | 177.2 | -72.3 | 163.8 | -162.8 | 0 | 0 | 111.9 | N124 D131 F132 | N124-E128 WeakPolarHBondContact O-CB 3.39Å; N124-E128 WeakPolarHBondContact O-CG 3.1Å; N124-E128 PolarHBondContact O-N 2.94Å; E128-D131 PolarHBondContact O-N 2.95Å; E128-F132 VanDerWaalsContact O-CB 3.26Å; E128-F132 WeakPolarHBondContact O-CB 3.38Å; E128-F132 PolarHBondContact O-N 3.14Å |
| 129 | L | 98.8 | Very high | 98.7 | Very high | 101 Ų | 101 | 105.3 Ų | 105.3 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 174.4 | 177.3 | 62 | 0 | 0 | 0 | 111.7 | R125 R126 K127 F132 L133 | R125-L129 WeakPolarHBondContact O-CB 3.35Å; R125-L129 PolarHBondContact O-N 3.05Å; R126-L129 PolarHBondContact O-N 3.33Å; K127-L129 VanDerWaalsContact C-N 3.27Å; K127-L129 PolarHBondContact O-N 2.94Å; L129-F132 PolarHBondContact O-N 2.98Å; L129-L133 HydrophobicContact CD1-CD1 4.14Å; L129-L133 HydrophobicContact CD1-CG 4.21Å; L129-L133 HydrophobicContact CG-CD1 4.19Å; L129-L133 VanDerWaalsContact O-CG 3.29Å; L129-L133 WeakPolarHBondContact O-CG 3.41Å; L129-L133 PolarHBondContact O-N 2.79Å |
| 130 | T | 98.7 | Very high | 98.7 | Very high | 80 Ų | 80 | 108 Ų | 108 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 176.5 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | R126 K127 F132 L133 Q134 | R126-T130 PolarHBondContact O-N 2.8Å; R126-T130 VanDerWaalsContact O-N 3.07Å; R126-T130 PolarHBondContact O-OG1 3.47Å; K127-T130 CarbonylContact O-C 3.56Å; K127-T130 WeakPolarHBondContact O-CA 3.3Å; K127-T130 WeakPolarHBondContact O-CB 3.43Å; K127-T130 PolarHBondContact O-N 2.91Å; T130-F132 VanDerWaalsContact C-N 3.31Å; T130-F132 PolarHBondContact O-N 3.17Å; T130-L133 PolarHBondContact O-N 3.33Å; T130-Q134 WeakPolarHBondContact O-CB 3.29Å; T130-Q134 PolarHBondContact O-N 3.15Å |
| 131 | D | 98.8 | Very high | 98.8 | Very high | 84 Ų | 84 | 111.4 Ų | 111.4 | 45% | 0.449 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 179 | -65 | -9.9 | 0 | 0 | 0 | 110.5 | K127 E128 Q134 A135 | K127-D131 WeakPolarHBondContact CE-OD2 3.16Å; K127-D131 VanDerWaalsContact O-CG 3.25Å; K127-D131 PolarHBondContact O-N 3.04Å; E128-D131 PolarHBondContact O-N 2.95Å; D131-Q134 PolarHBondContact O-N 3.47Å; D131-A135 WeakPolarHBondContact O-CB 3.37Å; D131-A135 PolarHBondContact O-N 3.02Å |
| 132 | F | 98.8 | Very high | 98.8 | Very high | 131 Ų | 131 | 109.3 Ų | 109.3 | 58% | 0.575 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.5 | -48.6 | 175.4 | 176.3 | -95 | 0 | 0 | 0 | 112.5 | E128 L129 T130 Q134 A135 E136 | E128-F132 VanDerWaalsContact O-CB 3.26Å; E128-F132 WeakPolarHBondContact O-CB 3.38Å; E128-F132 PolarHBondContact O-N 3.14Å; L129-F132 PolarHBondContact O-N 2.98Å; T130-F132 VanDerWaalsContact C-N 3.31Å; T130-F132 PolarHBondContact O-N 3.17Å; F132-Q134 VanDerWaalsContact C-N 3.29Å; F132-Q134 PolarHBondContact O-N 3.29Å; F132-A135 PolarHBondContact O-N 3.31Å; F132-E136 PolarHBondContact O-N 3.44Å |
| 133 | L | 98.9 | Very high | 98.8 | Very high | 96 Ų | 96 | 109.6 Ų | 109.6 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.5 | -36.9 | 179.4 | -69.6 | 174.1 | 0 | 0 | 0 | 111.8 | L129 T130 T137 | L129-L133 HydrophobicContact CD1-CD1 4.14Å; L129-L133 HydrophobicContact CD1-CG 4.21Å; L129-L133 HydrophobicContact CG-CD1 4.19Å; L129-L133 VanDerWaalsContact O-CG 3.29Å; L129-L133 WeakPolarHBondContact O-CG 3.41Å; L129-L133 PolarHBondContact O-N 2.79Å; T130-L133 PolarHBondContact O-N 3.33Å; L133-T137 PolarHBondContact O-N 3.49Å; L133-T137 PolarHBondContact O-OG1 2.92Å |
| 134 | Q | 98.8 | Very high | 98.8 | Very high | 106 Ų | 106 | 107 Ų | 107 | 50% | 0.495 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -49.4 | 175 | -171.8 | 62.2 | 56.1 | 0 | 0 | 110.8 | T130 D131 F132 E136 T137 D138 | T130-Q134 WeakPolarHBondContact O-CB 3.29Å; T130-Q134 PolarHBondContact O-N 3.15Å; D131-Q134 PolarHBondContact O-N 3.47Å; F132-Q134 VanDerWaalsContact C-N 3.29Å; F132-Q134 PolarHBondContact O-N 3.29Å; Q134-E136 VanDerWaalsContact C-N 3.3Å; Q134-E136 PolarHBondContact O-N 3.2Å; Q134-T137 WeakPolarHBondContact O-CB 3.26Å; Q134-T137 PolarHBondContact O-N 2.79Å; Q134-D138 PolarHBondContact NE2-OD1 3.43Å; Q134-D138 PolarHBondContact O-N 3.47Å |
| 135 | A | 98.8 | Very high | 98.8 | Very high | 56 Ų | 56 | 104.9 Ų | 104.9 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -38.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D131 F132 T137 K139 | D131-A135 WeakPolarHBondContact O-CB 3.37Å; D131-A135 PolarHBondContact O-N 3.02Å; F132-A135 PolarHBondContact O-N 3.31Å; A135-T137 VanDerWaalsContact C-N 3.35Å; A135-K139 VanDerWaalsContact O-CB 3.3Å; A135-K139 WeakPolarHBondContact O-CB 3.44Å; A135-K139 PolarHBondContact O-N 3.46Å |
| 136 | E | 98.8 | Very high | 98.8 | Very high | 71 Ų | 71 | 96.8 Ų | 96.8 | 33% | 0.332 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.8 | -37.1 | 174.9 | -172.6 | 64.3 | -168.3 | 0 | 0 | 111.7 | F132 Q134 L140 | F132-E136 PolarHBondContact O-N 3.44Å; Q134-E136 VanDerWaalsContact C-N 3.3Å; Q134-E136 PolarHBondContact O-N 3.2Å; E136-L140 HydrophobicContact CG-CD1 4.37Å; E136-L140 VanDerWaalsContact O-CG 3.29Å; E136-L140 WeakPolarHBondContact O-CG 3.48Å; E136-L140 PolarHBondContact O-N 3.15Å |
| 137 | T | 98.9 | Very high | 98.8 | Very high | 64 Ų | 64 | 92.5 Ų | 92.5 | 39% | 0.393 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.8 | -50.3 | 175.2 | -56 | 0 | 0 | 0 | 0 | 110.7 | L133 Q134 A135 K139 L140 E141 | L133-T137 PolarHBondContact O-N 3.49Å; L133-T137 PolarHBondContact O-OG1 2.92Å; Q134-T137 WeakPolarHBondContact O-CB 3.26Å; Q134-T137 PolarHBondContact O-N 2.79Å; A135-T137 VanDerWaalsContact C-N 3.35Å; T137-K139 VanDerWaalsContact C-N 3.28Å; T137-K139 PolarHBondContact O-N 2.87Å; T137-L140 PolarHBondContact O-N 3.13Å; T137-L140 VanDerWaalsContact O-N 3.13Å; T137-E141 WeakPolarHBondContact O-CG 3.47Å; T137-E141 PolarHBondContact O-N 3.03Å |
| 138 | D | 98.8 | Very high | 98.8 | Very high | 71 Ų | 71 | 90.6 Ų | 90.6 | 38% | 0.38 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.3 | -43.5 | 179.5 | -59.1 | -14.3 | 0 | 0 | 0 | 110.6 | Q134 L140 E141 D142 | Q134-D138 PolarHBondContact NE2-OD1 3.43Å; Q134-D138 PolarHBondContact O-N 3.47Å; D138-L140 PolarHBondContact O-N 3.48Å; D138-E141 PolarHBondContact O-N 3.33Å; D138-D142 PolarHBondContact O-N 3Å |
| 139 | K | 98.8 | Very high | 98.8 | Very high | 101 Ų | 101 | 92.9 Ų | 92.9 | 44% | 0.439 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 176.1 | -178.8 | -172.4 | 168 | -149 | 0 | 112.2 | A135 T137 E141 D142 E143 | A135-K139 VanDerWaalsContact O-CB 3.3Å; A135-K139 WeakPolarHBondContact O-CB 3.44Å; A135-K139 PolarHBondContact O-N 3.46Å; T137-K139 VanDerWaalsContact C-N 3.28Å; T137-K139 PolarHBondContact O-N 2.87Å; K139-E141 VanDerWaalsContact C-N 3.3Å; K139-E141 PolarHBondContact O-N 3.49Å; K139-D142 PolarHBondContact O-N 3.29Å; K139-E143 WeakPolarHBondContact CE-OE1 3.33Å; K139-E143 IonicContact NZ-OE1 3.73Å; K139-E143 WeakPolarHBondContact O-CG 3.48Å; K139-E143 PolarHBondContact O-N 3.08Å |
| 140 | L | 98.8 | Very high | 98.8 | Very high | 92 Ų | 92 | 93.5 Ų | 93.5 | 48% | 0.482 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.8 | -32.8 | 178.2 | -71.1 | 172.8 | 0 | 0 | 0 | 112 | E136 T137 D138 K144 | E136-L140 HydrophobicContact CG-CD1 4.37Å; E136-L140 VanDerWaalsContact O-CG 3.29Å; E136-L140 WeakPolarHBondContact O-CG 3.48Å; E136-L140 PolarHBondContact O-N 3.15Å; T137-L140 PolarHBondContact O-N 3.13Å; T137-L140 VanDerWaalsContact O-N 3.13Å; D138-L140 PolarHBondContact O-N 3.48Å; L140-K144 WeakPolarHBondContact O-CB 3.44Å; L140-K144 PolarHBondContact O-N 2.86Å |
| 141 | E | 98.8 | Very high | 98.8 | Very high | 116 Ų | 116 | 94 Ų | 94 | 54% | 0.542 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.6 | -41.8 | 173.7 | -71.4 | -178.2 | 175.6 | 0 | 0 | 112 | T137 D138 K139 K144 S145 | T137-E141 WeakPolarHBondContact O-CG 3.47Å; T137-E141 PolarHBondContact O-N 3.03Å; D138-E141 PolarHBondContact O-N 3.33Å; K139-E141 VanDerWaalsContact C-N 3.3Å; K139-E141 PolarHBondContact O-N 3.49Å; E141-K144 PolarHBondContact O-N 2.76Å; E141-S145 WeakPolarHBondContact O-CB 3.48Å; E141-S145 PolarHBondContact O-N 2.94Å; E141-S145 PolarHBondContact O-OG 3.44Å |
| 142 | D | 98.8 | Very high | 98.8 | Very high | 117 Ų | 117 | 96 Ų | 96 | 63% | 0.626 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63 | -46.6 | 174 | -77.5 | -18 | 0 | 0 | 0 | 111.5 | D138 K139 S145 G146 | D138-D142 PolarHBondContact O-N 3Å; K139-D142 PolarHBondContact O-N 3.29Å; D142-S145 PolarHBondContact O-N 3.26Å; D142-S145 PolarHBondContact O-OG 3.34Å; D142-G146 PolarHBondContact O-N 2.84Å |
| 143 | E | 98.8 | Very high | 98.8 | Very high | 96 Ų | 96 | 94 Ų | 94 | 45% | 0.449 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 176.3 | -74.2 | 178.9 | -169.8 | 0 | 0 | 111.5 | K139 S145 G146 L147 | K139-E143 WeakPolarHBondContact CE-OE1 3.33Å; K139-E143 IonicContact NZ-OE1 3.73Å; K139-E143 WeakPolarHBondContact O-CG 3.48Å; K139-E143 PolarHBondContact O-N 3.08Å; E143-S145 PolarHBondContact O-N 3.49Å; E143-G146 PolarHBondContact O-N 3.07Å; E143-L147 WeakPolarHBondContact O-CG 3.39Å; E143-L147 PolarHBondContact O-N 3.32Å |
| 144 | K | 98.8 | Very high | 98.8 | Very high | 131 Ų | 131 | 93.9 Ų | 93.9 | 57% | 0.57 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.2 | -48.6 | 176.5 | 178.2 | -175.5 | 175.5 | -174 | 0 | 111.5 | L140 E141 G146 L147 Q148 | L140-K144 WeakPolarHBondContact O-CB 3.44Å; L140-K144 PolarHBondContact O-N 2.86Å; E141-K144 PolarHBondContact O-N 2.76Å; K144-G146 VanDerWaalsContact C-N 3.3Å; K144-G146 PolarHBondContact O-N 3.44Å; K144-L147 PolarHBondContact O-N 3.49Å; K144-Q148 WeakPolarHBondContact O-CB 3.29Å; K144-Q148 VanDerWaalsContact O-CG 3.29Å; K144-Q148 WeakPolarHBondContact O-CG 3.4Å; K144-Q148 PolarHBondContact O-N 3.07Å |
| 145 | S | 98.7 | Very high | 98.8 | Very high | 47 Ų | 47 | 94 Ų | 94 | 33% | 0.329 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.7 | -30.6 | 179.4 | 69.2 | 0 | 0 | 0 | 0 | 112.1 | E141 D142 E143 R149 | E141-S145 WeakPolarHBondContact O-CB 3.48Å; E141-S145 PolarHBondContact O-N 2.94Å; E141-S145 PolarHBondContact O-OG 3.44Å; D142-S145 PolarHBondContact O-N 3.26Å; D142-S145 PolarHBondContact O-OG 3.34Å; E143-S145 PolarHBondContact O-N 3.49Å; S145-R149 WeakPolarHBondContact O-CG 3.37Å; S145-R149 PolarHBondContact O-N 3.12Å; S145-R149 VanDerWaalsContact O-N 3.11Å; S145-R149 PolarHBondContact O-NE 2.83Å |
| 146 | G | 98.8 | Very high | 98.8 | Very high | 23 Ų | 23 | 97.7 Ų | 97.7 | 24% | 0.237 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -60.2 | -54 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D142 E143 K144 Q148 R149 E150 | D142-G146 PolarHBondContact O-N 2.84Å; E143-G146 PolarHBondContact O-N 3.07Å; K144-G146 VanDerWaalsContact C-N 3.3Å; K144-G146 PolarHBondContact O-N 3.44Å; G146-Q148 VanDerWaalsContact C-N 3.33Å; G146-Q148 PolarHBondContact O-N 3.05Å; G146-R149 PolarHBondContact O-N 3.48Å; G146-E150 PolarHBondContact O-N 3.15Å; G146-E150 VanDerWaalsContact O-N 3.07Å |
| 147 | L | 98.8 | Very high | 98.8 | Very high | 106 Ų | 106 | 98.8 Ų | 98.8 | 56% | 0.555 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.3 | -39.3 | 178.4 | -69.2 | 174 | 0 | 0 | 0 | 112.2 | E143 K144 R149 E150 I151 | E143-L147 WeakPolarHBondContact O-CG 3.39Å; E143-L147 PolarHBondContact O-N 3.32Å; K144-L147 PolarHBondContact O-N 3.49Å; L147-R149 PolarHBondContact O-N 2.94Å; L147-E150 PolarHBondContact O-N 3.41Å; L147-I151 VanDerWaalsContact O-CG1 3.29Å; L147-I151 WeakPolarHBondContact O-CG1 3.35Å; L147-I151 PolarHBondContact O-N 3.33Å |
| 148 | Q | 98.8 | Very high | 98.8 | Very high | 94 Ų | 94 | 101.7 Ų | 101.7 | 44% | 0.439 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 175.6 | -76.9 | 177.2 | -23.8 | 0 | 0 | 112.1 | K144 G146 E150 I151 E152 | K144-Q148 WeakPolarHBondContact O-CB 3.29Å; K144-Q148 VanDerWaalsContact O-CG 3.29Å; K144-Q148 WeakPolarHBondContact O-CG 3.4Å; K144-Q148 PolarHBondContact O-N 3.07Å; G146-Q148 VanDerWaalsContact C-N 3.33Å; G146-Q148 PolarHBondContact O-N 3.05Å; Q148-E150 VanDerWaalsContact C-N 3.33Å; Q148-E150 PolarHBondContact O-N 3.24Å; Q148-I151 PolarHBondContact O-N 3.49Å; Q148-E152 WeakPolarHBondContact O-CG 3.36Å; Q148-E152 PolarHBondContact O-N 3.01Å |
| 149 | R | 98.8 | Very high | 98.8 | Very high | 168 Ų | 168 | 104.1 Ų | 104.1 | 63% | 0.634 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.4 | -39.3 | 175.4 | -74.5 | -176.8 | -66.4 | 157.7 | -3.3 | 112.6 | S145 G146 L147 E152 E153 | S145-R149 WeakPolarHBondContact O-CG 3.37Å; S145-R149 PolarHBondContact O-N 3.12Å; S145-R149 VanDerWaalsContact O-N 3.11Å; S145-R149 PolarHBondContact O-NE 2.83Å; G146-R149 PolarHBondContact O-N 3.48Å; L147-R149 PolarHBondContact O-N 2.94Å; R149-E152 PolarHBondContact O-N 2.89Å; R149-E153 WeakPolarHBondContact O-CB 3.35Å; R149-E153 PolarHBondContact O-N 3.12Å |
| 150 | E | 98.8 | Very high | 98.7 | Very high | 114 Ų | 114 | 108.2 Ų | 108.2 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65 | -42 | 176.8 | -174 | 174.8 | -178.9 | 0 | 0 | 111.5 | G146 L147 Q148 E153 L154 | G146-E150 PolarHBondContact O-N 3.15Å; G146-E150 VanDerWaalsContact O-N 3.07Å; L147-E150 PolarHBondContact O-N 3.41Å; Q148-E150 VanDerWaalsContact C-N 3.33Å; Q148-E150 PolarHBondContact O-N 3.24Å; E150-E153 PolarHBondContact O-N 3.43Å; E150-L154 HydrophobicContact CG-CD1 4.15Å; E150-L154 WeakPolarHBondContact O-CB 3.38Å; E150-L154 VanDerWaalsContact O-CG 3.29Å; E150-L154 WeakPolarHBondContact O-CG 3.45Å; E150-L154 PolarHBondContact O-N 3.41Å |
| 151 | I | 98.8 | Very high | 98.7 | Very high | 91 Ų | 91 | 109.1 Ų | 109.1 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60 | -48.2 | 174.8 | -69.5 | 164.7 | 0 | 0 | 0 | 110.7 | L147 Q148 E153 L154 Q155 | L147-I151 VanDerWaalsContact O-CG1 3.29Å; L147-I151 WeakPolarHBondContact O-CG1 3.35Å; L147-I151 PolarHBondContact O-N 3.33Å; Q148-I151 PolarHBondContact O-N 3.49Å; I151-E153 VanDerWaalsContact C-N 3.34Å; I151-E153 PolarHBondContact O-N 2.99Å; I151-L154 PolarHBondContact O-N 3.2Å; I151-Q155 HydrophobicContact CG2-CG 4.32Å; I151-Q155 WeakPolarHBondContact O-CB 3.42Å; I151-Q155 VanDerWaalsContact O-CG 3.28Å; I151-Q155 WeakPolarHBondContact O-CG 3.25Å; I151-Q155 PolarHBondContact O-N 3.19Å |
| 152 | E | 98.8 | Very high | 98.7 | Very high | 126 Ų | 126 | 108 Ų | 108 | 59% | 0.589 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.2 | -43.3 | 179 | -72.9 | 172.2 | -172.3 | 0 | 0 | 111.8 | Q148 R149 Q155 K156 | Q148-E152 WeakPolarHBondContact O-CG 3.36Å; Q148-E152 PolarHBondContact O-N 3.01Å; R149-E152 PolarHBondContact O-N 2.89Å; E152-Q155 PolarHBondContact O-N 3.38Å; E152-K156 WeakPolarHBondContact O-CB 3.32Å; E152-K156 PolarHBondContact O-N 3.3Å |
| 153 | E | 98.9 | Very high | 98.6 | Very high | 88 Ų | 88 | 108.7 Ų | 108.7 | 41% | 0.411 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 177.6 | 179.3 | 55.1 | -150.4 | 0 | 0 | 111.7 | R149 E150 I151 Q155 K156 Q157 | R149-E153 WeakPolarHBondContact O-CB 3.35Å; R149-E153 PolarHBondContact O-N 3.12Å; E150-E153 PolarHBondContact O-N 3.43Å; I151-E153 VanDerWaalsContact C-N 3.34Å; I151-E153 PolarHBondContact O-N 2.99Å; E153-Q155 PolarHBondContact O-N 2.81Å; E153-K156 WeakPolarHBondContact O-CB 3.47Å; E153-K156 PolarHBondContact O-N 2.62Å; E153-Q157 WeakPolarHBondContact O-CG 3.33Å; E153-Q157 PolarHBondContact O-N 2.86Å; E153-Q157 PolarHBondContact OE1-NE2 3.42Å |
| 154 | L | 98.8 | Very high | 98.6 | Very high | 94 Ų | 94 | 108.3 Ų | 108.3 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 175.7 | -72 | 173.7 | 0 | 0 | 0 | 112.1 | E150 I151 Q157 K158 | E150-L154 HydrophobicContact CG-CD1 4.15Å; E150-L154 WeakPolarHBondContact O-CB 3.38Å; E150-L154 VanDerWaalsContact O-CG 3.29Å; E150-L154 WeakPolarHBondContact O-CG 3.45Å; E150-L154 PolarHBondContact O-N 3.41Å; I151-L154 PolarHBondContact O-N 3.2Å; L154-Q157 PolarHBondContact O-N 3.41Å; L154-K158 WeakPolarHBondContact O-CB 3.4Å; L154-K158 PolarHBondContact O-N 3.42Å |
| 155 | Q | 98.7 | Very high | 98.4 | Very high | 107 Ų | 107 | 107.7 Ų | 107.7 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 174.2 | -76.4 | 176.7 | -11.6 | 0 | 0 | 111.1 | I151 E152 E153 Q157 K158 E159 | I151-Q155 HydrophobicContact CG2-CG 4.32Å; I151-Q155 WeakPolarHBondContact O-CB 3.42Å; I151-Q155 VanDerWaalsContact O-CG 3.28Å; I151-Q155 WeakPolarHBondContact O-CG 3.25Å; I151-Q155 PolarHBondContact O-N 3.19Å; E152-Q155 PolarHBondContact O-N 3.38Å; E153-Q155 PolarHBondContact O-N 2.81Å; Q155-Q157 VanDerWaalsContact C-N 3.33Å; Q155-Q157 PolarHBondContact O-N 2.78Å; Q155-K158 WeakPolarHBondContact O-CB 3.48Å; Q155-K158 PolarHBondContact O-N 3.05Å; Q155-E159 WeakPolarHBondContact O-CG 3.3Å; Q155-E159 PolarHBondContact O-N 3.32Å |
| 156 | K | 98.8 | Very high | 98.3 | Very high | 134 Ų | 134 | 110.7 Ų | 110.7 | 58% | 0.583 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.7 | -39.8 | 175.3 | -177.3 | -176.3 | 177.4 | -172.9 | 0 | 112.6 | E152 E153 R160 | E152-K156 WeakPolarHBondContact O-CB 3.32Å; E152-K156 PolarHBondContact O-N 3.3Å; E153-K156 WeakPolarHBondContact O-CB 3.47Å; E153-K156 PolarHBondContact O-N 2.62Å; K156-R160 WeakPolarHBondContact O-CB 3.47Å; K156-R160 PolarHBondContact O-N 2.91Å |
| 157 | Q | 98.6 | Very high | 98.1 | Very high | 95 Ų | 95 | 112.9 Ų | 112.9 | 44% | 0.444 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.4 | -42 | 175.1 | -71.8 | 177 | 14.1 | 0 | 0 | 111.7 | E153 L154 Q155 R160 L161 | E153-Q157 WeakPolarHBondContact O-CG 3.33Å; E153-Q157 PolarHBondContact O-N 2.86Å; E153-Q157 PolarHBondContact OE1-NE2 3.42Å; L154-Q157 PolarHBondContact O-N 3.41Å; Q155-Q157 VanDerWaalsContact C-N 3.33Å; Q155-Q157 PolarHBondContact O-N 2.78Å; Q157-R160 PolarHBondContact O-N 3.43Å; Q157-L161 WeakPolarHBondContact O-CG 3.34Å; Q157-L161 PolarHBondContact O-N 2.83Å |
| 158 | K | 98.6 | Very high | 97.9 | Very high | 124 Ų | 124 | 112.4 Ų | 112.4 | 54% | 0.539 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.9 | -53.3 | 173.7 | 177.2 | -170.7 | 163.7 | -171.8 | 0 | 110.9 | L154 Q155 R160 L161 E162 | L154-K158 WeakPolarHBondContact O-CB 3.4Å; L154-K158 PolarHBondContact O-N 3.42Å; Q155-K158 WeakPolarHBondContact O-CB 3.48Å; Q155-K158 PolarHBondContact O-N 3.05Å; K158-R160 VanDerWaalsContact C-N 3.28Å; K158-R160 PolarHBondContact O-N 2.91Å; K158-L161 PolarHBondContact O-N 3.4Å; K158-E162 VanDerWaalsContact CE-CD 3.44Å; K158-E162 WeakPolarHBondContact CE-OE1 3.42Å; K158-E162 HydrophobicContact CG-CG 4.31Å; K158-E162 IonicContact NZ-OE1 2.62Å; K158-E162 WeakPolarHBondContact O-CG 3.4Å; K158-E162 PolarHBondContact O-N 3.29Å |
| 159 | E | 98.6 | Very high | 97.5 | Very high | 123 Ų | 123 | 114 Ų | 114 | 58% | 0.575 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -57.6 | -41.2 | 179.3 | -73.5 | 174.8 | -173.2 | 0 | 0 | 111.9 | Q155 L161 E162 L163 | Q155-E159 WeakPolarHBondContact O-CG 3.3Å; Q155-E159 PolarHBondContact O-N 3.32Å; E159-L161 PolarHBondContact O-N 2.92Å; E159-E162 PolarHBondContact O-N 2.88Å; E159-L163 WeakPolarHBondContact O-CB 3.44Å; E159-L163 PolarHBondContact O-N 3.39Å |
| 160 | R | 98.4 | Very high | 97 | Very high | 187 Ų | 187 | 111.3 Ų | 111.3 | 71% | 0.706 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.1 | -44.5 | 174.9 | 178.3 | -176.8 | 175.8 | -174.2 | -0.8 | 111.9 | K156 Q157 K158 V164 | K156-R160 WeakPolarHBondContact O-CB 3.47Å; K156-R160 PolarHBondContact O-N 2.91Å; Q157-R160 PolarHBondContact O-N 3.43Å; K158-R160 VanDerWaalsContact C-N 3.28Å; K158-R160 PolarHBondContact O-N 2.91Å; R160-V164 WeakPolarHBondContact O-CG2 3.19Å; R160-V164 PolarHBondContact O-N 3.16Å |
| 161 | L | 98.4 | Very high | 96.5 | Very high | 110 Ų | 110 | 111.9 Ų | 111.9 | 58% | 0.576 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.4 | -40.2 | 179 | -70.2 | 173.2 | 0 | 0 | 0 | 111.5 | Q157 K158 E159 L163 V164 L165 | Q157-L161 WeakPolarHBondContact O-CG 3.34Å; Q157-L161 PolarHBondContact O-N 2.83Å; K158-L161 PolarHBondContact O-N 3.4Å; E159-L161 PolarHBondContact O-N 2.92Å; L161-L163 VanDerWaalsContact C-N 3.31Å; L161-L163 PolarHBondContact O-N 3.21Å; L161-V164 PolarHBondContact O-N 3.33Å; L161-V164 VanDerWaalsContact O-N 3.15Å; L161-L165 WeakPolarHBondContact O-CG 3.41Å; L161-L165 PolarHBondContact O-N 2.86Å |
| 162 | E | 97.7 | Very high | 95.8 | Very high | 94 Ų | 94 | 109.9 Ų | 109.9 | 44% | 0.439 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.4 | -43.9 | 173.9 | -74.5 | 178.7 | 157.5 | 0 | 0 | 111.1 | K158 E159 V164 L165 E166 | K158-E162 VanDerWaalsContact CE-CD 3.44Å; K158-E162 WeakPolarHBondContact CE-OE1 3.42Å; K158-E162 HydrophobicContact CG-CG 4.31Å; K158-E162 IonicContact NZ-OE1 2.62Å; K158-E162 WeakPolarHBondContact O-CG 3.4Å; K158-E162 PolarHBondContact O-N 3.29Å; E159-E162 PolarHBondContact O-N 2.88Å; E162-V164 VanDerWaalsContact C-N 3.33Å; E162-V164 PolarHBondContact O-N 3.12Å; E162-L165 PolarHBondContact O-N 3.04Å; E162-E166 WeakPolarHBondContact O-CB 3.31Å; E162-E166 PolarHBondContact O-N 3.39Å |
| 163 | L | 98 | Very high | 94.9 | Very high | 130 Ų | 130 | 113.6 Ų | 113.6 | 68% | 0.681 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59.4 | -43 | 174.6 | -175.5 | 71.3 | 0 | 0 | 0 | 112.2 | E159 L161 E166 A167 | E159-L163 WeakPolarHBondContact O-CB 3.44Å; E159-L163 PolarHBondContact O-N 3.39Å; L161-L163 VanDerWaalsContact C-N 3.31Å; L161-L163 PolarHBondContact O-N 3.21Å; L163-E166 PolarHBondContact O-N 3.5Å; L163-A167 WeakPolarHBondContact O-CB 3.39Å; L163-A167 PolarHBondContact O-N 3.28Å |
| 164 | V | 97.4 | Very high | 93.9 | Very high | 88 Ų | 88 | 115.7 Ų | 115.7 | 53% | 0.533 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.2 | -43.3 | 177.7 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | R160 L161 E162 A167 H168 | R160-V164 WeakPolarHBondContact O-CG2 3.19Å; R160-V164 PolarHBondContact O-N 3.16Å; L161-V164 PolarHBondContact O-N 3.33Å; L161-V164 VanDerWaalsContact O-N 3.15Å; E162-V164 VanDerWaalsContact C-N 3.33Å; E162-V164 PolarHBondContact O-N 3.12Å; V164-A167 PolarHBondContact O-N 2.94Å; V164-H168 PolarHBondContact O-N 3.03Å; V164-H168 VanDerWaalsContact O-N 3.1Å |
| 165 | L | 95.6 | Very high | 92.2 | Very high | 119 Ų | 119 | 116.5 Ų | 116.5 | 62% | 0.623 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.6 | -42.5 | 178.4 | -70.1 | 176.6 | 0 | 0 | 0 | 111.8 | L161 E162 A167 H168 R169 | L161-L165 WeakPolarHBondContact O-CG 3.41Å; L161-L165 PolarHBondContact O-N 2.86Å; E162-L165 PolarHBondContact O-N 3.04Å; L165-A167 VanDerWaalsContact C-N 3.33Å; L165-A167 PolarHBondContact O-N 3.39Å; L165-H168 PolarHBondContact O-N 3.21Å; L165-H168 VanDerWaalsContact O-N 3.11Å; L165-R169 PolarHBondContact O-N 3.31Å |
| 166 | E | 95.3 | Very high | 90.5 | Very high | 110 Ų | 110 | 118.9 Ų | 118.9 | 51% | 0.514 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.6 | -39.4 | 178.7 | -166.6 | 58.3 | -148.7 | 0 | 0 | 111.2 | E162 L163 H168 R169 P170 | E162-E166 WeakPolarHBondContact O-CB 3.31Å; E162-E166 PolarHBondContact O-N 3.39Å; L163-E166 PolarHBondContact O-N 3.5Å; E166-H168 VanDerWaalsContact C-N 3.3Å; E166-H168 PolarHBondContact O-N 3.08Å; E166-R169 WeakPolarHBondContact O-CB 3.34Å; E166-R169 PolarHBondContact O-N 3.37Å; E166-R169 IonicContact OE2-NH1 3.56Å; E166-R169 PolarHBondContact OE2-NH1 3.42Å; E166-R169 VanDerWaalsContact OE2-NH1 3.07Å; E166-P170 WeakPolarHBondContact O-CD 3.46Å |
| 167 | A | 95.1 | Very high | 88.5 | Confident | 68 Ų | 68 | 115.9 Ų | 115.9 | 56% | 0.562 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.2 | -30.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L163 V164 L165 P170 | L163-A167 WeakPolarHBondContact O-CB 3.39Å; L163-A167 PolarHBondContact O-N 3.28Å; V164-A167 PolarHBondContact O-N 2.94Å; L165-A167 VanDerWaalsContact C-N 3.33Å; L165-A167 PolarHBondContact O-N 3.39Å; A167-P170 WeakPolarHBondContact O-CD 3.5Å |
| 168 | H | 94.8 | Very high | 86.4 | Confident | 97 Ų | 97 | 116.1 Ų | 116.1 | 45% | 0.449 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -80.9 | -26.2 | 177.7 | -179.6 | -95.3 | 0 | 0 | 0 | 113.2 | V164 L165 E166 P170 I171 C172 | V164-H168 PolarHBondContact O-N 3.03Å; V164-H168 VanDerWaalsContact O-N 3.1Å; L165-H168 PolarHBondContact O-N 3.21Å; L165-H168 VanDerWaalsContact O-N 3.11Å; E166-H168 VanDerWaalsContact C-N 3.3Å; E166-H168 PolarHBondContact O-N 3.08Å; H168-P170 VanDerWaalsContact C-CD 3.44Å; H168-I171 PolarHBondContact O-N 3.48Å; H168-C172 PolarHBondContact O-N 2.75Å |
| 169 | R | 90.3 | Very high | 84.3 | Confident | 127 Ų | 127 | 119.6 Ų | 119.6 | 48% | 0.479 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -45.5 | -46.3 | -178.3 | -156.9 | 177 | -151.5 | 137.2 | 5.4 | 115.2 | L165 E166 I171 C172 E176 | L165-R169 PolarHBondContact O-N 3.31Å; E166-R169 WeakPolarHBondContact O-CB 3.34Å; E166-R169 PolarHBondContact O-N 3.37Å; E166-R169 IonicContact OE2-NH1 3.56Å; E166-R169 PolarHBondContact OE2-NH1 3.42Å; E166-R169 VanDerWaalsContact OE2-NH1 3.07Å; R169-I171 VanDerWaalsContact C-N 3.25Å; R169-I171 PolarHBondContact O-N 3.31Å; R169-C172 PolarHBondContact O-N 3.1Å; R169-E176 IonicContact CZ-OE1 3.07Å; R169-E176 IonicContact NE-OE1 3.87Å; R169-E176 PolarHBondContact NE-OE1 3.42Å; R169-E176 IonicContact NH2-OE1 3.59Å; R169-E176 PolarHBondContact NH2-OE1 3.43Å; R169-E176 IonicContact NH2-OE2 3.41Å |
| 170 | P | 88.2 | Confident | 82.3 | Confident | 112 Ų | 112 | 123.1 Ų | 123.1 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -16.2 | 179.4 | 27.1 | -36.2 | 0 | 0 | 0 | 114.8 | E166 A167 H168 | E166-P170 WeakPolarHBondContact O-CD 3.46Å; A167-P170 WeakPolarHBondContact O-CD 3.5Å; H168-P170 VanDerWaalsContact C-CD 3.44Å |
| 171 | I | 88.5 | Confident | 80.1 | Confident | 125 Ų | 125 | 118 Ų | 118 | 64% | 0.641 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -20.7 | -177 | -57.1 | 162.3 | 0 | 0 | 0 | 110.9 | H168 R169 K173 | H168-I171 PolarHBondContact O-N 3.48Å; R169-I171 VanDerWaalsContact C-N 3.25Å; R169-I171 PolarHBondContact O-N 3.31Å; I171-K173 PolarHBondContact O-N 2.97Å |
| 172 | C | 84.1 | Confident | 77.4 | Confident | 49 Ų | 49 | 119.8 Ų | 119.8 | 33% | 0.331 | 66% | 0.664 | S | S | . | * | trans | -70 | 121.9 | -175.6 | -161.4 | 0 | 0 | 0 | 0 | 111.8 | H168 R169 | H168-C172 PolarHBondContact O-N 2.75Å; R169-C172 PolarHBondContact O-N 3.1Å | ||
| 173 | K | 80.7 | Confident | 75.1 | Confident | 205 Ų | 205 | 121.8 Ų | 121.8 | 89% | 0.891 | 68% | 0.682 | S | S | * | * | trans | -95.4 | 10.1 | 177 | -64.8 | 178.8 | -178.3 | 178.2 | 0 | 113.7 | I171 | I171-K173 PolarHBondContact O-N 2.97Š| ||
| 174 | I | 77.5 | Confident | 72.9 | Confident | 131 Ų | 131 | 119.2 Ų | 119.2 | 67% | 0.672 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -80.6 | 122.1 | 179.3 | -49.6 | 172.8 | 0 | 0 | 0 | 107 | E176 | I174-E176 PolarHBondContact O-N 2.97Š|
| 175 | P | 62.6 | Low | 70.4 | Confident | 112 Ų | 112 | 119.6 Ų | 119.6 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | trans | -63.9 | 123.4 | 178.1 | 23.8 | -30.4 | 0 | 0 | 0 | 109.6 | G177 | P175-G177 PolarHBondContact O-N 2.97Š| ||
| 176 | E | 64.2 | Low | 67.9 | Low | 157 Ų | 157 | 119.9 Ų | 119.9 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -68.4 | 27.3 | 177 | -70.4 | -151.3 | 178.9 | 0 | 0 | 113.6 | R169 I174 | R169-E176 IonicContact CZ-OE1 3.07Å; R169-E176 IonicContact NE-OE1 3.87Å; R169-E176 PolarHBondContact NE-OE1 3.42Å; R169-E176 IonicContact NH2-OE1 3.59Å; R169-E176 PolarHBondContact NH2-OE1 3.43Å; R169-E176 IonicContact NH2-OE2 3.41Å; I174-E176 PolarHBondContact O-N 2.97Å |
| 177 | G | 56.4 | Low | 65.5 | Low | 70 Ų | 70 | 120.1 Ų | 120.1 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | trans | -118.3 | 44.4 | -164.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | P175 | P175-G177 PolarHBondContact O-N 2.97Š| ||
| 178 | A | 53 | Low | 63.1 | Low | 100 Ų | 100 | 120.3 Ų | 120.3 | 83% | 0.826 | 72% | 0.723 | S | S | * | * | trans | -121 | 35.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 179 | K | 56.1 | Low | 60.5 | Low | 197 Ų | 197 | 122.5 Ų | 122.5 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -100.6 | 100.4 | 162.2 | -71.1 | -168 | 176.7 | -178 | 0 | 108.3 | ||
| 180 | E | 55.4 | Low | 58.4 | Low | 198 Ų | 198 | 121.6 Ų | 121.6 | 93% | 0.925 | 76% | 0.756 | S | S | * | * | trans | 26 | 107.6 | 151.8 | -60.3 | -176.3 | 170.4 | 0 | 0 | 117.7 | ||||
| 181 | G | 53 | Low | 56.2 | Low | 78 Ų | 78 | 121.9 Ų | 121.9 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -174.4 | 75.3 | 166 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 182 | D | 41.8 | Very low | 54.5 | Low | 149 Ų | 149 | 121.7 Ų | 121.7 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -131.4 | 94.5 | 158.5 | -166.4 | 29.3 | 0 | 0 | 0 | 109.9 | ||||
| 183 | T | 49.3 | Very low | 52.6 | Low | 136 Ų | 136 | 125.4 Ų | 125.4 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -77.9 | 116.5 | 162.2 | -37.1 | 0 | 0 | 0 | 0 | 104.7 | S185 | T183-S185 PolarHBondContact O-N 3.42Š| ||
| 184 | G | 50.5 | Low | 50.9 | Low | 75 Ų | 75 | 119.6 Ų | 119.6 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -49.4 | 131.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 185 | S | 45.7 | Very low | 49.5 | Very low | 97 Ų | 97 | 119.7 Ų | 119.7 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -147.5 | 122.1 | 158.6 | -158.5 | 0 | 0 | 0 | 0 | 111 | T183 | T183-S185 PolarHBondContact O-N 3.42Š| ||
| 186 | T | 42.8 | Very low | 48.5 | Very low | 125 Ų | 125 | 120.2 Ų | 120.2 | 77% | 0.767 | 80% | 0.795 | S | S | * | * | trans | 76.9 | 106.2 | 156.5 | 62.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 187 | S | 45.9 | Very low | 48.2 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | 68.6 | 103.5 | 126.5 | 63.8 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 188 | G | 44.4 | Very low | 47.9 | Very low | 72 Ų | 72 | 126.4 Ų | 126.4 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | 80.3 | 102.9 | 117.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 189 | T | 39.5 | Very low | 48.1 | Very low | 144 Ų | 144 | 127.9 Ų | 127.9 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -161.9 | 132.1 | 130.6 | -66.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 190 | S | 47 | Very low | 47.7 | Very low | 107 Ų | 107 | 124.1 Ų | 124.1 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -73.9 | 136.9 | -175 | 48.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 191 | S | 40.6 | Very low | 47.2 | Very low | 119 Ų | 119 | 120.4 Ų | 120.4 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -173.5 | 152.2 | 142.6 | -83.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 192 | P | 54.6 | Low | 46.9 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 165.9 | -162.1 | 35.1 | -35.4 | 0 | 0 | 0 | 114.9 | ||
| 193 | P | 44.2 | Very low | 47.2 | Very low | 128 Ų | 128 | 122.3 Ų | 122.3 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 139 | -160.4 | 35.1 | -32.8 | 0 | 0 | 0 | 114.2 | ||
| 194 | A | 43.6 | Very low | 47.4 | Very low | 82 Ų | 82 | 123.5 Ų | 123.5 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 140.1 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | C196 | A194-C196 PolarHBondContact O-N 2.88Š|
| 195 | P | 48.8 | Very low | 47.4 | Very low | 133 Ų | 133 | 124.8 Ų | 124.8 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -78.2 | 97 | -176.3 | 29.9 | -31.9 | 0 | 0 | 0 | 111.1 | ||||
| 196 | C | 42.2 | Very low | 47.7 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 123.3 | 164.2 | -70 | 0 | 0 | 0 | 0 | 109.4 | A194 | A194-C196 PolarHBondContact O-N 2.88Š|
| 197 | R | 58.2 | Low | 48 | Very low | 231 Ų | 231 | 123.4 Ų | 123.4 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60 | 138.3 | 173.2 | -69.2 | 172.4 | 144.7 | -137.2 | -4.4 | 110.3 | V199 | R197-V199 PolarHBondContact O-N 2.99Š|
| 198 | P | 48.3 | Very low | 48.3 | Very low | 126 Ų | 126 | 123.4 Ų | 123.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 120.5 | 175.9 | 29 | -30.4 | 0 | 0 | 0 | 109.7 | ||
| 199 | V | 58 | Low | 48.5 | Very low | 132 Ų | 132 | 127 Ų | 127 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 128.5 | 161.2 | -170.4 | 0 | 0 | 0 | 0 | 106.3 | R197 C201 | R197-V199 PolarHBondContact O-N 2.99Å; V199-C201 PolarHBondContact O-N 3.12Å; V199-C201 VanDerWaalsContact O-N 3.15Å |
| 200 | P | 48.6 | Very low | 48.9 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -69.2 | 113.8 | 179.5 | 26.2 | -30.7 | 0 | 0 | 0 | 109.6 | ||||
| 201 | C | 43.9 | Very low | 48.9 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -80.9 | 125.2 | 166.2 | 61.5 | 0 | 0 | 0 | 0 | 108.8 | V199 S203 | V199-C201 PolarHBondContact O-N 3.12Å; V199-C201 VanDerWaalsContact O-N 3.15Å; C201-S203 PolarHBondContact O-N 3.27Å | ||
| 202 | I | 47.3 | Very low | 49.5 | Very low | 164 Ų | 164 | 130.2 Ų | 130.2 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -82.1 | 101.3 | 172 | 3.9 | 175.2 | 0 | 0 | 0 | 106.6 | L204 | I202-L204 PolarHBondContact O-N 3.17Š| ||
| 203 | S | 48.7 | Very low | 48.9 | Very low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | -80.2 | 110.4 | 171 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | C201 | C201-S203 PolarHBondContact O-N 3.27Š| ||
| 204 | L | 51.7 | Low | 49.4 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -99.1 | 105.5 | 167.3 | -70.5 | 168.7 | 0 | 0 | 0 | 107.5 | I202 | I202-L204 PolarHBondContact O-N 3.17Š| ||
| 205 | S | 52.1 | Low | 49.4 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -59.7 | 135.2 | 172.9 | -51 | 0 | 0 | 0 | 0 | 110.4 | G207 | S205-G207 PolarHBondContact O-N 3.17Š| ||
| 206 | P | 51.1 | Low | 49.7 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -73.1 | 110.1 | 169.5 | 8.7 | 3.2 | 0 | 0 | 0 | 108.9 | ||||
| 207 | G | 49.2 | Very low | 50.2 | Low | 60 Ų | 60 | 136.4 Ų | 136.4 | 62% | 0.619 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 151.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111 | S205 V209 | S205-G207 PolarHBondContact O-N 3.17Å; G207-V209 PolarHBondContact O-N 2.78Å |
| 208 | P | 51.6 | Low | 50.1 | Low | 115 Ų | 115 | 131.6 Ų | 131.6 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 135.5 | -176.9 | 28.4 | -32.6 | 0 | 0 | 0 | 110.9 | L210 | P208-L210 PolarHBondContact O-N 3.34Š|
| 209 | V | 50 | Low | 50.1 | Low | 148 Ų | 148 | 131.3 Ų | 131.3 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 117.6 | 164.5 | 176.2 | 0 | 0 | 0 | 0 | 108.2 | G207 | G207-V209 PolarHBondContact O-N 2.78Š|
| 210 | L | 48.2 | Very low | 49.9 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -126.5 | 127.6 | 164.8 | -97.3 | 143.2 | 0 | 0 | 0 | 108.5 | P208 | P208-L210 PolarHBondContact O-N 3.34Š| ||
| 211 | E | 46.6 | Very low | 50.1 | Low | 162 Ų | 162 | 135.1 Ų | 135.1 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | trans | -40 | 156.1 | 178.3 | -89.5 | -87.3 | 115.1 | 0 | 0 | 116.3 | E213 | E211-E213 PolarHBondContact O-N 3.1Å; E211-E213 VanDerWaalsContact O-N 3.13Å | ||
| 212 | P | 51.8 | Low | 50.5 | Low | 116 Ų | 116 | 135.7 Ų | 135.7 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | -82.4 | 93.1 | -178.7 | 33.7 | -28.8 | 0 | 0 | 0 | 110.5 | ||||
| 213 | E | 42.9 | Very low | 51 | Low | 180 Ų | 180 | 134 Ų | 134 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | -97.9 | 120.1 | 170.3 | -154.3 | 149.2 | 154.5 | 0 | 0 | 110.8 | E211 L215 | E211-E213 PolarHBondContact O-N 3.1Å; E211-E213 VanDerWaalsContact O-N 3.13Å; E213-L215 PolarHBondContact O-N 3.24Å; E213-L215 VanDerWaalsContact O-N 3.15Å | ||
| 214 | A | 54.6 | Low | 51.2 | Low | 87 Ų | 87 | 135 Ų | 135 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | trans | -68.3 | 102.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 215 | L | 43.5 | Very low | 51 | Low | 149 Ų | 149 | 132.1 Ų | 132.1 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | -144 | 103.6 | 164.1 | -74.9 | 175.3 | 0 | 0 | 0 | 111.5 | E213 T217 | E213-L215 PolarHBondContact O-N 3.24Å; E213-L215 VanDerWaalsContact O-N 3.15Å; L215-T217 PolarHBondContact O-N 3.15Å | ||
| 216 | H | 54.8 | Low | 51 | Low | 192 Ų | 192 | 135.3 Ų | 135.3 | 89% | 0.889 | 79% | 0.79 | S | S | * | * | trans | -81.3 | 94 | 167.4 | -50.9 | 149.5 | 0 | 0 | 0 | 109.5 | ||||
| 217 | T | 52.3 | Low | 51.4 | Low | 109 Ų | 109 | 133.8 Ų | 133.8 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | trans | -144.8 | 118.3 | 156.6 | 42.3 | 0 | 0 | 0 | 0 | 109.1 | L215 T219 | L215-T217 PolarHBondContact O-N 3.15Å; T217-T219 PolarHBondContact O-N 3.05Å; T217-T219 VanDerWaalsContact O-N 3.12Å | ||
| 218 | P | 57.3 | Low | 51.6 | Low | 129 Ų | 129 | 137 Ų | 137 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -70.6 | 112.2 | 174.9 | 27.8 | -31.5 | 0 | 0 | 0 | 109.1 | L220 | P218-L220 PolarHBondContact O-N 3.41Š| ||
| 219 | T | 48.5 | Very low | 51.3 | Low | 120 Ų | 120 | 140.5 Ų | 140.5 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -74.5 | 112 | 169.7 | -56.6 | 0 | 0 | 0 | 0 | 108.4 | T217 M221 | T217-T219 PolarHBondContact O-N 3.05Å; T217-T219 VanDerWaalsContact O-N 3.12Å; T219-M221 PolarHBondContact O-N 2.7Å | ||
| 220 | L | 53.8 | Low | 51.6 | Low | 159 Ų | 159 | 139.2 Ų | 139.2 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -72 | 105.1 | 171.2 | -71.6 | 174.4 | 0 | 0 | 0 | 109.1 | P218 T222 | P218-L220 PolarHBondContact O-N 3.41Å; L220-T222 PolarHBondContact O-N 2.88Å | ||
| 221 | M | 51.6 | Low | 51.8 | Low | 171 Ų | 171 | 137 Ų | 137 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | trans | -83.2 | 100.2 | 166.2 | -67 | -119.2 | 77.3 | 0 | 0 | 108.7 | T219 | T219-M221 PolarHBondContact O-N 2.7Š| ||
| 222 | T | 53.2 | Low | 52 | Low | 132 Ų | 132 | 133.9 Ų | 133.9 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -75.8 | 119.3 | 171.9 | 13.6 | 0 | 0 | 0 | 0 | 110.2 | L220 | L220-T222 PolarHBondContact O-N 2.88Š| ||
| 223 | T | 57.4 | Low | 52.4 | Low | 129 Ų | 129 | 136.8 Ų | 136.8 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -67.4 | 127.8 | 171.4 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | S225 | T223-S225 PolarHBondContact O-N 3.15Š| ||
| 224 | P | 53.7 | Low | 53.1 | Low | 123 Ų | 123 | 133.2 Ų | 133.2 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | -77.1 | 111.1 | 174 | 29.1 | -31.5 | 0 | 0 | 0 | 110.6 | ||||
| 225 | S | 47.7 | Very low | 52.9 | Low | 100 Ų | 100 | 138 Ų | 138 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -79.3 | 118.4 | 169.7 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | T223 T227 | T223-S225 PolarHBondContact O-N 3.15Å; S225-T227 PolarHBondContact O-N 3.02Å; S225-T227 VanDerWaalsContact O-N 3.17Å | ||
| 226 | L | 51.9 | Low | 53.6 | Low | 171 Ų | 171 | 136.6 Ų | 136.6 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | -81.8 | 79.8 | 174.1 | -68.9 | 171.5 | 0 | 0 | 0 | 111 | ||||
| 227 | T | 59.4 | Low | 53 | Low | 100 Ų | 100 | 136 Ų | 136 | 61% | 0.613 | 77% | 0.769 | S | S | * | * | trans | -148.3 | 126.5 | 160.6 | 55.2 | 0 | 0 | 0 | 0 | 110 | S225 F229 | S225-T227 PolarHBondContact O-N 3.02Å; S225-T227 VanDerWaalsContact O-N 3.17Å; T227-F229 PolarHBondContact O-N 3.03Å | ||
| 228 | P | 52.3 | Low | 53 | Low | 127 Ų | 127 | 136 Ų | 136 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -70.2 | 119 | 177.4 | 28 | -31.4 | 0 | 0 | 0 | 110.2 | T230 | P228-T230 PolarHBondContact O-N 2.93Š| ||
| 229 | F | 46.1 | Very low | 52.3 | Low | 189 Ų | 189 | 135.4 Ų | 135.4 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | trans | -81.3 | 108.2 | 179.3 | -152.4 | -90.1 | 0 | 0 | 0 | 109.4 | T227 | T227-F229 PolarHBondContact O-N 3.03Š| ||
| 230 | T | 56 | Low | 52.4 | Low | 121 Ų | 121 | 135.7 Ų | 135.7 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | -92.7 | 122.3 | 164.5 | 44.5 | 0 | 0 | 0 | 0 | 108.7 | P228 S232 | P228-T230 PolarHBondContact O-N 2.93Å; T230-S232 PolarHBondContact O-N 3.03Å | ||
| 231 | P | 52.9 | Low | 52.2 | Low | 111 Ų | 111 | 134.3 Ų | 134.3 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | trans | -78.5 | 96 | 179.8 | 30.1 | -32.3 | 0 | 0 | 0 | 110 | ||||
| 232 | S | 51.1 | Low | 51.8 | Low | 96 Ų | 96 | 134.5 Ų | 134.5 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | trans | -95.9 | 111 | 163.8 | -169 | 0 | 0 | 0 | 0 | 109 | T230 V234 | T230-S232 PolarHBondContact O-N 3.03Å; S232-V234 VanDerWaalsContact C-N 3.3Å; S232-V234 PolarHBondContact O-N 2.79Å; S232-V234 WeakPolarHBondContact OG-CG2 3.38Å | ||
| 233 | L | 60 | Low | 51.7 | Low | 177 Ų | 177 | 133.4 Ų | 133.4 | 93% | 0.927 | 77% | 0.765 | S | S | * | * | trans | -77.7 | 82.3 | 172.7 | -66 | 175.6 | 0 | 0 | 0 | 108.9 | ||||
| 234 | V | 57.7 | Low | 50.8 | Low | 105 Ų | 105 | 133.7 Ų | 133.7 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | -110.4 | 113 | 166 | -169.7 | 0 | 0 | 0 | 0 | 108.1 | S232 T236 | S232-V234 VanDerWaalsContact C-N 3.3Å; S232-V234 PolarHBondContact O-N 2.79Å; S232-V234 WeakPolarHBondContact OG-CG2 3.38Å; V234-T236 PolarHBondContact O-N 2.84Å; V234-T236 VanDerWaalsContact O-N 3.15Å | ||
| 235 | F | 49.1 | Very low | 50.2 | Low | 187 Ų | 187 | 132.6 Ų | 132.6 | 82% | 0.82 | 77% | 0.773 | S | S | * | * | trans | -75.9 | 95 | 175.6 | -178.9 | -100 | 0 | 0 | 0 | 109.1 | Y237 | F235-Y237 HydrophobicContact CE1-CD2 4.1Š| ||
| 236 | T | 58.1 | Low | 49.6 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | -89.4 | 115.2 | 175.5 | -54.9 | 0 | 0 | 0 | 0 | 109.6 | V234 | V234-T236 PolarHBondContact O-N 2.84Å; V234-T236 VanDerWaalsContact O-N 3.15Å | ||
| 237 | Y | 43 | Very low | 49.2 | Very low | 180 Ų | 180 | 129.6 Ų | 129.6 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -73.3 | 135 | 173.8 | -155.1 | -94.1 | 0 | 0 | 0 | 109.9 | F235 S239 | F235-Y237 HydrophobicContact CE1-CD2 4.1Å; Y237-S239 PolarHBondContact O-N 3.11Å | ||
| 238 | P | 53 | Low | 48.1 | Very low | 109 Ų | 109 | 132 Ų | 132 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | trans | -70.9 | 114 | 176 | 27.7 | -30.6 | 0 | 0 | 0 | 109.5 | ||||
| 239 | S | 41.2 | Very low | 47.5 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 139.5 | 165.6 | -80.1 | 0 | 0 | 0 | 0 | 109.9 | Y237 | Y237-S239 PolarHBondContact O-N 3.11Š|
| 240 | T | 51.6 | Low | 47.5 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 148.4 | 174.3 | 46.9 | 0 | 0 | 0 | 0 | 112.1 | E242 | T240-E242 PolarHBondContact O-N 3.12Š|
| 241 | P | 49.8 | Very low | 46.5 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 84% | 0.844 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 118.4 | 178.5 | 29.6 | -31.5 | 0 | 0 | 0 | 110.8 | ||
| 242 | E | 43.2 | Very low | 46 | Very low | 175 Ų | 175 | 136 Ų | 136 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 139.8 | 161.8 | -103.6 | -90.7 | 128.1 | 0 | 0 | 109.6 | T240 | T240-E242 PolarHBondContact O-N 3.12Š|
| 243 | P | 50.5 | Low | 45.5 | Very low | 108 Ų | 108 | 137 Ų | 137 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 143.3 | 177.7 | 32.8 | -30.8 | 0 | 0 | 0 | 111.7 | ||
| 244 | C | 38.1 | Very low | 44.6 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 91% | 0.912 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 144.5 | -176 | -72.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 245 | A | 40.9 | Very low | 44.2 | Very low | 101 Ų | 101 | 134 Ų | 134 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 146.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 246 | S | 36.6 | Very low | 43.5 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -136.9 | 111.2 | 146.7 | -171 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 247 | A | 42.5 | Very low | 42.8 | Very low | 83 Ų | 83 | 130.7 Ų | 130.7 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | trans | -91.1 | 124 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 248 | H | 36.6 | Very low | 43.4 | Very low | 150 Ų | 150 | 127.6 Ų | 127.6 | 69% | 0.694 | 79% | 0.792 | S | S | * | * | trans | 179.5 | 129.5 | 132.3 | -104.7 | -64.5 | 0 | 0 | 0 | 113.2 | ||||
| 249 | R | 40.3 | Very low | 42.8 | Very low | 206 Ų | 206 | 127.6 Ų | 127.6 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | 85.3 | 99.7 | 143.8 | -61.6 | 167.8 | -162.5 | -74.9 | -2.2 | 117.8 | S251 | R249-S251 PolarHBondContact O-N 3.27Š| ||
| 250 | K | 45.6 | Very low | 43 | Very low | 208 Ų | 208 | 127 Ų | 127 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | trans | -32.6 | 125.2 | 148.6 | -75.3 | 171.3 | 151 | -166 | 0 | 113 | ||||
| 251 | S | 35.6 | Very low | 42.8 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -164.3 | 102.2 | 143.4 | -74 | 0 | 0 | 0 | 0 | 105.4 | R249 | R249-S251 PolarHBondContact O-N 3.27Š| ||
| 252 | S | 40.8 | Very low | 43 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | 77.9 | 107.7 | 98.8 | -58.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 253 | S | 41.1 | Very low | 43.5 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 75.6 | 132.3 | 138.3 | 3.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 254 | S | 41.7 | Very low | 43 | Very low | 105 Ų | 105 | 127 Ų | 127 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | 100.2 | 99.1 | 126.5 | -148 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 255 | S | 49.3 | Very low | 43.3 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | 32.7 | 124.4 | 130.2 | 66.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 256 | G | 34.2 | Very low | 44.1 | Very low | 78 Ų | 78 | 127.1 Ų | 127.1 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | 161.8 | 94.9 | 152.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 257 | D | 43.4 | Very low | 44.8 | Very low | 162 Ų | 162 | 126.9 Ų | 126.9 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | -88.5 | 169.9 | 147.4 | -86.1 | -36.9 | 0 | 0 | 0 | 108 | ||||
| 258 | P | 55.5 | Low | 45.1 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | cis | -134.1 | -171.1 | -29.4 | 34 | -13.9 | 0 | 0 | 0 | 112 | ||||
| 259 | S | 41.5 | Very low | 45.6 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | 98.5 | 118.1 | 161.5 | 86.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 260 | S | 44.3 | Very low | 46 | Very low | 104 Ų | 104 | 124.1 Ų | 124.1 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | 162.6 | 117.7 | 104.1 | -70.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 261 | D | 48 | Very low | 46.1 | Very low | 162 Ų | 162 | 126.2 Ų | 126.2 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | -55.8 | 145.2 | 150.4 | -77.8 | -47.6 | 0 | 0 | 0 | 108.5 | ||||
| 262 | P | 53.8 | Low | 46.6 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | -144.5 | 149.3 | 107.5 | 31.2 | -13.1 | 0 | 0 | 0 | 115.2 | |||||
| 263 | L | 53.1 | Low | 46.9 | Very low | 178 Ų | 178 | 128.1 Ų | 128.1 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | trans | -39.3 | 138.8 | 157.2 | -57.2 | 163.8 | 0 | 0 | 0 | 112.3 | ||||
| 264 | G | 41.1 | Very low | 47.2 | Very low | 79 Ų | 79 | 128.7 Ų | 128.7 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | 171.9 | 64.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 265 | S | 43.7 | Very low | 47.5 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | trans | -116.5 | 137.9 | 145.2 | -64.7 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 266 | P | 57.9 | Low | 47.4 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | -150.5 | 161.7 | 57.6 | 36 | -13.8 | 0 | 0 | 0 | 117.7 | |||||
| 267 | T | 50.5 | Low | 48.3 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | trans | 3.6 | 128.4 | 140.4 | -34.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 268 | L | 49.8 | Very low | 48.7 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 76% | 0.764 | 82% | 0.824 | S | S | * | * | 162.9 | 143.3 | 113.5 | -87.6 | 179.4 | 0 | 0 | 0 | 115.7 | |||||
| 269 | L | 47.3 | Very low | 48.1 | Very low | 150 Ų | 150 | 134 Ų | 134 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | trans | 70.3 | 116.2 | 155.3 | -63.9 | 163 | 0 | 0 | 0 | 117.8 | ||||
| 270 | A | 48.5 | Very low | 48.7 | Very low | 84 Ų | 84 | 136.1 Ų | 136.1 | 69% | 0.694 | 84% | 0.835 | S | S | * | * | 68.1 | 94.3 | 63.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 271 | L | 46.5 | Very low | 49.1 | Very low | 252 Ų | 252 | 139 Ų | 139 | 100% | 1.319 | 85% | 0.845 | S | S | * | * | 178.7 | 0 | 125.4 | -93.5 | 166.6 | 0 | 0 | 0 | 109.4 |
Retrieved 271 of 271 residues in 50.1 ms
(Link to these results)