| 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 | 48.2 | Very low | 47.9 | Very low | 253 Ų | 253 | 151.1 Ų | 151.1 | 100% | 1.246 | 82% | 0.824 | S | S | * | * | 0 | 120.2 | 0 | -85.8 | 175.8 | 168.9 | 0 | 0 | 106.6 | |||||
| 2 | E | 47.3 | Very low | 47.2 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -145.1 | 140.1 | -166.9 | -175.5 | 175.7 | 104.3 | 0 | 0 | 108.3 | ||||
| 3 | F | 56.3 | Low | 47.3 | Very low | 208 Ų | 208 | 147.8 Ų | 147.8 | 91% | 0.912 | 81% | 0.809 | S | S | * | * | trans | -138.8 | 114.1 | 160.4 | -96.9 | -78.9 | 0 | 0 | 0 | 106.6 | ||||
| 4 | P | 56.5 | Low | 47.2 | Very low | 108 Ų | 108 | 148 Ų | 148 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | trans | -73.6 | 163.7 | 178.9 | 31.1 | -35 | 0 | 0 | 0 | 111.4 | ||||
| 5 | G | 45.6 | Very low | 46.9 | Very low | 80 Ų | 80 | 141.8 Ų | 141.8 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -90 | -165.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 6 | G | 43.1 | Very low | 46.7 | Very low | 77 Ų | 77 | 141.3 Ų | 141.3 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | 92.7 | 147.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 7 | N | 46.6 | Very low | 46.5 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 68% | 0.679 | 80% | 0.798 | S | S | * | * | cis | -152.7 | 147.9 | 12.5 | 43 | 36.6 | 0 | 0 | 0 | 112.4 | N9 | N7-N9 PolarHBondContact O-N 3.44Š| ||
| 8 | D | 44.3 | Very low | 46.4 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -70.3 | 118.3 | 157.6 | -66.1 | -89.2 | 0 | 0 | 0 | 108.3 | ||||
| 9 | N | 47.8 | Very low | 46.4 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 67% | 0.668 | 80% | 0.802 | S | S | * | * | trans | -135.1 | 85.5 | 177.6 | -119.2 | -43.2 | 0 | 0 | 0 | 111.9 | N7 | N7-N9 PolarHBondContact O-N 3.44Š| ||
| 10 | Y | 39.3 | Very low | 46.2 | Very low | 206 Ų | 206 | 143.3 Ų | 143.3 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | trans | 13 | 107.8 | 133.1 | -139.5 | -88.1 | 0 | 0 | 0 | 116.4 | ||||
| 11 | L | 51.6 | Low | 46.4 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | trans | -162.6 | 97 | 148.8 | -112.7 | 165.9 | 0 | 0 | 0 | 111.8 | I13 | L11-I13 HydrophobicContact CB-CG1 4.36Å; L11-I13 HydrophobicContact CD2-CD1 4.26Å; L11-I13 HydrophobicContact CD2-CG1 3.85Å; L11-I13 PolarHBondContact O-N 3.38Å | ||
| 12 | T | 40.3 | Very low | 46.1 | Very low | 122 Ų | 122 | 139 Ų | 139 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -64.6 | 115 | 158.8 | 23.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 13 | I | 48.5 | Very low | 46 | Very low | 138 Ų | 138 | 134.7 Ų | 134.7 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | trans | -118.7 | 93.4 | 173.8 | -58.9 | -177.9 | 0 | 0 | 0 | 109.7 | L11 | L11-I13 HydrophobicContact CB-CG1 4.36Å; L11-I13 HydrophobicContact CD2-CD1 4.26Å; L11-I13 HydrophobicContact CD2-CG1 3.85Å; L11-I13 PolarHBondContact O-N 3.38Å | ||
| 14 | T | 46.1 | Very low | 45.3 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 92% | 0.92 | 79% | 0.79 | S | S | * | * | trans | -93.8 | 107.6 | 162.1 | -54.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 15 | G | 42.5 | Very low | 45 | Very low | 55 Ų | 55 | 132.6 Ų | 132.6 | 57% | 0.567 | 80% | 0.795 | S | S | * | * | trans | -169.9 | 130.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 16 | P | 43.3 | Very low | 44.7 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -101.8 | 113.1 | -169.2 | 35.4 | -31.5 | 0 | 0 | 0 | 114.2 | ||||
| 17 | S | 43.2 | Very low | 44.9 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -166 | 53.5 | 169.5 | 48.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 18 | H | 44.8 | Very low | 44.9 | Very low | 198 Ų | 198 | 141.1 Ų | 141.1 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | trans | -126 | 98.4 | 163 | -86.1 | -71.6 | 0 | 0 | 0 | 112 | ||||
| 19 | P | 45.9 | Very low | 44.7 | Very low | 115 Ų | 115 | 139 Ų | 139 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | trans | -79.9 | -179.3 | 171.9 | 35 | -35.6 | 0 | 0 | 0 | 111.7 | ||||
| 20 | F | 43.2 | Very low | 44.8 | Very low | 191 Ų | 191 | 138.6 Ų | 138.6 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | 83.2 | 44.7 | 162.2 | -129.9 | -82.9 | 0 | 0 | 0 | 118.9 | ||||
| 21 | L | 50.1 | Low | 45 | Very low | 178 Ų | 178 | 134.6 Ų | 134.6 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | trans | -139.4 | 88 | 138.3 | -80.2 | -172.9 | 0 | 0 | 0 | 110.2 | ||||
| 22 | S | 42.1 | Very low | 44.8 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -107.6 | 123.6 | 167.3 | -60.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 23 | G | 44.4 | Very low | 45 | Very low | 77 Ų | 77 | 130.7 Ų | 130.7 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | -173.7 | 100.9 | 179 | 0 | 0 | 0 | 0 | 0 | 108.9 | E25 | G23-E25 PolarHBondContact O-N 2.97Š| ||
| 24 | A | 42.4 | Very low | 44.8 | Very low | 99 Ų | 99 | 132.6 Ų | 132.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -79.2 | 118.4 | -164.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 25 | E | 49.5 | Very low | 45 | Very low | 173 Ų | 173 | 131.4 Ų | 131.4 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | -134.8 | 114.8 | 148.1 | -77.3 | -155.3 | 94.7 | 0 | 0 | 109.6 | G23 F27 | G23-E25 PolarHBondContact O-N 2.97Å; E25-F27 PolarHBondContact O-N 3.37Å | ||
| 26 | T | 40.5 | Very low | 45.5 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | trans | -88.4 | 95.6 | -176.5 | -53.5 | 0 | 0 | 0 | 0 | 110.6 | H28 | T26-H28 PolarHBondContact O-N 3.01Š| ||
| 27 | F | 45.7 | Very low | 45.8 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | -89.2 | 97 | 164.8 | -97.4 | -88.6 | 0 | 0 | 0 | 110.8 | E25 T29 | E25-F27 PolarHBondContact O-N 3.37Å; F27-T29 PolarHBondContact O-N 3.21Å | ||
| 28 | H | 48 | Very low | 46.6 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -55 | 129.5 | 170.1 | -86.8 | -100.3 | 0 | 0 | 0 | 110.8 | T26 P30 | T26-H28 PolarHBondContact O-N 3.01Å; H28-P30 VanDerWaalsContact O-CD 3.31Å; H28-P30 WeakPolarHBondContact O-CD 3.3Å | ||
| 29 | T | 40.4 | Very low | 47.2 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | trans | -65.1 | 117.4 | 150.5 | 44.5 | 0 | 0 | 0 | 0 | 108.2 | F27 S31 | F27-T29 PolarHBondContact O-N 3.21Å; T29-S31 PolarHBondContact O-N 3.1Å; T29-S31 VanDerWaalsContact O-N 3.08Å | ||
| 30 | P | 50 | Low | 47.8 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -70.8 | 106.1 | 171 | 29.1 | -31.7 | 0 | 0 | 0 | 108.4 | H28 L32 | H28-P30 VanDerWaalsContact O-CD 3.31Å; H28-P30 WeakPolarHBondContact O-CD 3.3Å; P30-L32 PolarHBondContact O-N 3.32Å | ||
| 31 | S | 43.2 | Very low | 48.5 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | -75.4 | 72.3 | 165.7 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | T29 | T29-S31 PolarHBondContact O-N 3.1Å; T29-S31 VanDerWaalsContact O-N 3.08Å | ||
| 32 | L | 46 | Very low | 48.4 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | trans | -80.4 | 116.9 | 154.8 | -145.5 | 72 | 0 | 0 | 0 | 104.5 | P30 | P30-L32 PolarHBondContact O-N 3.32Š| ||
| 33 | G | 45.3 | Very low | 48.5 | Very low | 45 Ų | 45 | 131.7 Ų | 131.7 | 46% | 0.464 | 75% | 0.745 | S | S | . | * | 73.6 | 106 | 82.1 | 0 | 0 | 0 | 0 | 0 | 107 | E35 | G33-E35 PolarHBondContact O-N 2.93Š| |||
| 34 | D | 44.6 | Very low | 48.6 | Very low | 177 Ų | 177 | 134.7 Ų | 134.7 | 95% | 0.947 | 74% | 0.743 | S | S | * | * | cis | 47.7 | 24.8 | 35.8 | -133.2 | -116.3 | 0 | 0 | 0 | 112.4 | ||||
| 35 | E | 48.9 | Very low | 48.8 | Very low | 126 Ų | 126 | 137 Ų | 137 | 59% | 0.589 | 74% | 0.741 | S | S | * | * | trans | -95.6 | 106.4 | 152.1 | -70.8 | -172.8 | 96.8 | 0 | 0 | 106.1 | G33 F37 | G33-E35 PolarHBondContact O-N 2.93Å; E35-F37 VanDerWaalsContact C-N 3.27Å; E35-F37 HydrophobicContact CB-CE2 4.48Å; E35-F37 PolarHBondContact O-N 3.41Å | ||
| 36 | E | 53.5 | Low | 48.7 | Very low | 176 Ų | 176 | 133.7 Ų | 133.7 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | trans | -59 | 89.7 | 170.8 | -177.7 | 166.2 | 35.9 | 0 | 0 | 108.9 | E38 | E36-E38 HydrophobicContact CG-CB 4.45Å; E36-E38 PolarHBondContact O-N 3.1Å | ||
| 37 | F | 50.4 | Low | 48.8 | Very low | 179 Ų | 179 | 132.6 Ų | 132.6 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -70.3 | 74.3 | 163.2 | -90.2 | -89.8 | 0 | 0 | 0 | 108.1 | E35 I39 | E35-F37 VanDerWaalsContact C-N 3.27Å; E35-F37 HydrophobicContact CB-CE2 4.48Å; E35-F37 PolarHBondContact O-N 3.41Å; F37-I39 VanDerWaalsContact C-N 3.26Å; F37-I39 PolarHBondContact O-N 3.37Å | ||
| 38 | E | 60.4 | Low | 49.3 | Very low | 153 Ų | 153 | 129 Ų | 129 | 72% | 0.715 | 72% | 0.722 | S | S | * | * | trans | -53.5 | 95.2 | 163 | -169.8 | -177.8 | 164.8 | 0 | 0 | 106.6 | E36 P40 | E36-E38 HydrophobicContact CG-CB 4.45Å; E36-E38 PolarHBondContact O-N 3.1Å; E38-P40 VanDerWaalsContact O-CD 3.22Å; E38-P40 WeakPolarHBondContact O-CD 3.43Å | ||
| 39 | I | 55.8 | Low | 49.4 | Very low | 143 Ų | 143 | 126 Ų | 126 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | trans | -61.2 | 111.8 | 177 | -60.5 | 175.8 | 0 | 0 | 0 | 104.5 | F37 | F37-I39 VanDerWaalsContact C-N 3.26Å; F37-I39 PolarHBondContact O-N 3.37Å | ||
| 40 | P | 59.4 | Low | 49.6 | Very low | 99 Ų | 99 | 126.6 Ų | 126.6 | 64% | 0.643 | 72% | 0.717 | S | S | * | * | trans | -57.1 | 133.3 | -174.4 | 23.2 | -33.2 | 0 | 0 | 0 | 107.2 | E38 I42 | E38-P40 VanDerWaalsContact O-CD 3.22Å; E38-P40 WeakPolarHBondContact O-CD 3.43Å; P40-I42 PolarHBondContact O-N 3.33Å | ||
| 41 | P | 57.7 | Low | 49.3 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 70% | 0.695 | 71% | 0.708 | S | S | * | * | trans | -52.6 | 124.1 | -174.7 | 21.3 | -32.9 | 0 | 0 | 0 | 107.6 | S43 | P41-S43 VanDerWaalsContact C-N 3.29Å; P41-S43 PolarHBondContact O-N 2.89Å | ||
| 42 | I | 49 | Very low | 49.5 | Very low | 139 Ų | 139 | 125.3 Ų | 125.3 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | trans | -63.4 | 96.9 | -178.4 | 44.5 | 160.4 | 0 | 0 | 0 | 108.1 | P40 L44 | P40-I42 PolarHBondContact O-N 3.33Å; I42-L44 PolarHBondContact O-N 3.01Å | ||
| 43 | S | 42.6 | Very low | 49.4 | Very low | 110 Ų | 110 | 124.2 Ų | 124.2 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | trans | -59.1 | 95.1 | 168 | -67.4 | 0 | 0 | 0 | 0 | 107.1 | P41 D45 | P41-S43 VanDerWaalsContact C-N 3.29Å; P41-S43 PolarHBondContact O-N 2.89Å; S43-D45 PolarHBondContact O-N 3.42Å | ||
| 44 | L | 48.2 | Very low | 49.2 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | trans | -69.2 | 63.6 | 157.6 | -68.1 | 172.3 | 0 | 0 | 0 | 107.1 | I42 S46 | I42-L44 PolarHBondContact O-N 3.01Å; L44-S46 PolarHBondContact O-N 3.33Å; L44-S46 PolarHBondContact O-OG 3.43Å | ||
| 45 | D | 45.2 | Very low | 49.3 | Very low | 147 Ų | 147 | 127.4 Ų | 127.4 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | trans | -52.1 | 110.2 | 162.4 | -167 | -106.4 | 0 | 0 | 0 | 105.3 | S43 D47 | S43-D45 PolarHBondContact O-N 3.42Å; D45-D47 VanDerWaalsContact C-N 3.27Å; D45-D47 PolarHBondContact O-N 3.15Å | ||
| 46 | S | 47.5 | Very low | 49.1 | Very low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | trans | -83 | 81.2 | -157.6 | -67.2 | 0 | 0 | 0 | 0 | 108.4 | L44 P48 | L44-S46 PolarHBondContact O-N 3.33Å; L44-S46 PolarHBondContact O-OG 3.43Å; S46-P48 VanDerWaalsContact O-CD 3.3Å; S46-P48 WeakPolarHBondContact O-CD 3.4Å | ||
| 47 | D | 43.7 | Very low | 48.4 | Very low | 93 Ų | 93 | 123.6 Ų | 123.6 | 50% | 0.497 | 73% | 0.729 | S | S | . | * | trans | -47.6 | 110.7 | -174.7 | -174.3 | -62.3 | 0 | 0 | 0 | 110.3 | D45 S49 L50 | D45-D47 VanDerWaalsContact C-N 3.27Å; D45-D47 PolarHBondContact O-N 3.15Å; D47-S49 PolarHBondContact O-N 3.47Å; D47-S49 VanDerWaalsContact O-N 3.1Å; D47-S49 WeakPolarHBondContact OD1-CA 3.01Å; D47-S49 VanDerWaalsContact OD1-CB 3.23Å; D47-S49 WeakPolarHBondContact OD1-CB 3.4Å; D47-S49 PolarHBondContact OD1-N 3.27Å; D47-S49 PolarHBondContact OD1-OG 3.19Å; D47-L50 PolarHBondContact O-N 2.99Å | ||
| 48 | P | 56.4 | Low | 48.4 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -75.5 | -0.3 | -169.7 | 30 | -35.1 | 0 | 0 | 0 | 112.9 | S46 | S46-P48 VanDerWaalsContact O-CD 3.3Å; S46-P48 WeakPolarHBondContact O-CD 3.4Å |
| 49 | S | 48.6 | Very low | 47.3 | Very low | 95 Ų | 95 | 123.3 Ų | 123.3 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -83.1 | -15.8 | 175.6 | 77.3 | 0 | 0 | 0 | 0 | 113.8 | D47 | D47-S49 PolarHBondContact O-N 3.47Å; D47-S49 VanDerWaalsContact O-N 3.1Å; D47-S49 WeakPolarHBondContact OD1-CA 3.01Å; D47-S49 VanDerWaalsContact OD1-CB 3.23Å; D47-S49 WeakPolarHBondContact OD1-CB 3.4Å; D47-S49 PolarHBondContact OD1-N 3.27Å; D47-S49 PolarHBondContact OD1-OG 3.19Å |
| 50 | L | 45.1 | Very low | 46.5 | Very low | 137 Ų | 137 | 124.5 Ų | 124.5 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -102.6 | 15 | 178.6 | -59 | -174.7 | 0 | 0 | 0 | 113.6 | D47 V52 | D47-L50 PolarHBondContact O-N 2.99Å; L50-V52 VanDerWaalsContact C-N 3.31Å; L50-V52 PolarHBondContact O-N 2.9Å |
| 51 | A | 44.2 | Very low | 45.5 | Very low | 68 Ų | 68 | 124.9 Ų | 124.9 | 56% | 0.562 | 73% | 0.733 | S | S | * | * | trans | -73.4 | 75.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S53 | A51-S53 PolarHBondContact O-N 3.33Š| ||
| 52 | V | 46.8 | Very low | 45.1 | Very low | 145 Ų | 145 | 126.4 Ų | 126.4 | 88% | 0.879 | 73% | 0.734 | S | S | * | * | trans | -74.9 | 55.7 | 168.8 | -70.8 | 0 | 0 | 0 | 0 | 112 | L50 | L50-V52 VanDerWaalsContact C-N 3.31Å; L50-V52 PolarHBondContact O-N 2.9Å | ||
| 53 | S | 43.4 | Very low | 44.6 | Very low | 113 Ų | 113 | 124.5 Ų | 124.5 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | -131.7 | 35 | -176.5 | -63.1 | 0 | 0 | 0 | 0 | 112.3 | A51 | A51-S53 PolarHBondContact O-N 3.33Š| ||
| 54 | D | 41.7 | Very low | 44.3 | Very low | 147 Ų | 147 | 125.8 Ų | 125.8 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | trans | -137.8 | 79.2 | 176.6 | -152 | -46.2 | 0 | 0 | 0 | 111.6 | ||||
| 55 | V | 46.8 | Very low | 44.1 | Very low | 141 Ų | 141 | 124.4 Ų | 124.4 | 86% | 0.855 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -151.7 | 20.6 | 164.4 | 77.1 | 0 | 0 | 0 | 0 | 112.1 | ||
| 56 | V | 44.4 | Very low | 43.5 | Very low | 140 Ų | 140 | 121.2 Ų | 121.2 | 85% | 0.848 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -140.5 | 48.1 | -178.1 | -162.5 | 0 | 0 | 0 | 0 | 111.7 | ||
| 57 | A | 38.7 | Very low | 42.9 | Very low | 83 Ų | 83 | 121.4 Ų | 121.4 | 69% | 0.686 | 73% | 0.727 | S | S | * | * | trans | -172.3 | 77.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 58 | H | 50.3 | Low | 42.8 | Very low | 181 Ų | 181 | 121.4 Ų | 121.4 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | trans | -156.1 | 121 | 159.4 | -134.3 | -74.2 | 0 | 0 | 0 | 112.6 | ||||
| 59 | F | 38.5 | Very low | 42.1 | Very low | 144 Ų | 144 | 125 Ų | 125 | 63% | 0.632 | 74% | 0.742 | S | S | * | * | trans | 60.9 | 106.3 | 156.9 | -150.4 | -97.6 | 0 | 0 | 0 | 116.1 | D61 | F59-D61 HydrophobicContact CD1-CB 4.22Å; F59-D61 HydrophobicContact CD2-CB 4.26Å; F59-D61 HydrophobicContact CE1-CB 3.68Å; F59-D61 HydrophobicContact CE2-CB 3.73Å; F59-D61 HydrophobicContact CG-CB 4.5Å; F59-D61 HydrophobicContact CZ-CB 3.42Å; F59-D61 VanDerWaalsContact CZ-CB 3.42Å | ||
| 60 | D | 38.6 | Very low | 41.7 | Very low | 168 Ų | 168 | 127.9 Ų | 127.9 | 90% | 0.898 | 75% | 0.75 | S | S | * | * | cis | 55.7 | 58.4 | 11.8 | -137.5 | -75.6 | 0 | 0 | 0 | 115.4 | ||||
| 61 | D | 38 | Very low | 41.5 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 58% | 0.578 | 75% | 0.747 | S | S | * | * | trans | -163.4 | 167.4 | 140.5 | -161.9 | -167.7 | 0 | 0 | 0 | 110 | F59 | F59-D61 HydrophobicContact CD1-CB 4.22Å; F59-D61 HydrophobicContact CD2-CB 4.26Å; F59-D61 HydrophobicContact CE1-CB 3.68Å; F59-D61 HydrophobicContact CE2-CB 3.73Å; F59-D61 HydrophobicContact CG-CB 4.5Å; F59-D61 HydrophobicContact CZ-CB 3.42Å; F59-D61 VanDerWaalsContact CZ-CB 3.42Å | ||
| 62 | L | 49 | Very low | 41.4 | Very low | 138 Ų | 138 | 126.6 Ų | 126.6 | 72% | 0.723 | 76% | 0.758 | S | S | * | * | trans | 70.3 | 73.5 | 163.1 | -52.1 | -174.7 | 0 | 0 | 0 | 119.6 | ||||
| 63 | A | 38.8 | Very low | 40.9 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | trans | 8.1 | 147 | 135.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 64 | D | 36.5 | Very low | 40.8 | Very low | 137 Ų | 137 | 127.4 Ų | 127.4 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | -54.9 | 147.3 | 163.8 | -176.1 | -121.6 | 0 | 0 | 0 | 113.6 | S66 | D64-S66 VanDerWaalsContact CG-N 3.29Å; D64-S66 PolarHBondContact OD1-N 3.49Å; D64-S66 PolarHBondContact OD2-N 3.38Å | ||
| 65 | P | 43.4 | Very low | 40.9 | Very low | 111 Ų | 111 | 124.4 Ų | 124.4 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | -144.3 | 109.3 | 108 | 35.5 | -19 | 0 | 0 | 0 | 115.8 | |||||
| 66 | S | 33.6 | Very low | 40.9 | Very low | 81 Ų | 81 | 124.9 Ų | 124.9 | 57% | 0.566 | 74% | 0.736 | S | S | * | * | 45 | 132.9 | 127.3 | 76.2 | 0 | 0 | 0 | 0 | 122.4 | D64 | D64-S66 VanDerWaalsContact CG-N 3.29Å; D64-S66 PolarHBondContact OD1-N 3.49Å; D64-S66 PolarHBondContact OD2-N 3.38Å | |||
| 67 | S | 34.5 | Very low | 40.6 | Very low | 106 Ų | 106 | 128 Ų | 128 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | trans | 100.8 | 143.8 | 131.2 | 86.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 68 | S | 41 | Very low | 40.6 | Very low | 94 Ų | 94 | 127.3 Ų | 127.3 | 66% | 0.657 | 73% | 0.734 | S | S | * | * | trans | 102.3 | 107.7 | 140 | -56.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 69 | Q | 42.8 | Very low | 40.2 | Very low | 187 Ų | 187 | 126 Ų | 126 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | trans | 65.9 | 154.1 | 139.3 | -70.9 | 178.8 | -9.2 | 0 | 0 | 118.8 | ||||
| 70 | D | 40.7 | Very low | 40.2 | Very low | 156 Ų | 156 | 127.3 Ų | 127.3 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | cis | -158.4 | 180 | -26.5 | -163.5 | -80 | 0 | 0 | 0 | 105.4 | ||||
| 71 | G | 39.8 | Very low | 40.2 | Very low | 64 Ų | 64 | 125.6 Ų | 125.6 | 66% | 0.66 | 74% | 0.743 | S | S | * | * | trans | 133.2 | 37.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 72 | S | 43.1 | Very low | 40.5 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | 52.3 | 116.8 | 138.8 | -147.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 73 | F | 36.2 | Very low | 40.2 | Very low | 186 Ų | 186 | 128.2 Ų | 128.2 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | trans | 89.3 | 111.6 | 132.2 | -154.4 | -103.7 | 0 | 0 | 0 | 122.1 | ||||
| 74 | S | 40.6 | Very low | 40.6 | Very low | 90 Ų | 90 | 131.3 Ų | 131.3 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | trans | 50.4 | 131 | 144.5 | -53.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 75 | A | 44.1 | Very low | 41.2 | Very low | 84 Ų | 84 | 130 Ų | 130 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | cis | -168.7 | 164.5 | 22 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 76 | Q | 46.6 | Very low | 41 | Very low | 151 Ų | 151 | 130.5 Ų | 130.5 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | cis | -160.6 | 171.7 | -6.8 | -119.3 | 171.6 | -3.7 | 0 | 0 | 110.9 | G78 | Q76-G78 PolarHBondContact O-N 3.34Š| ||
| 77 | Y | 38.7 | Very low | 41.6 | Very low | 206 Ų | 206 | 130.4 Ų | 130.4 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | trans | 17.4 | 87.5 | 162.1 | -49.8 | -53.5 | 0 | 0 | 0 | 120.1 | ||||
| 78 | G | 37.2 | Very low | 42 | Very low | 67 Ų | 67 | 133.4 Ų | 133.4 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -89 | 160.2 | 148.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q76 | Q76-G78 PolarHBondContact O-N 3.34Š|
| 79 | V | 43.5 | Very low | 42.2 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 93% | 0.927 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 133.8 | -179.3 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 80 | Q | 38.2 | Very low | 41.9 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 130.6 | -179.5 | -64.7 | -178.5 | 104.6 | 0 | 0 | 111.7 | ||
| 81 | T | 38 | Very low | 41.9 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 146.7 | 152.6 | -167.5 | 0 | 0 | 0 | 0 | 108.2 | ||
| 82 | L | 45.2 | Very low | 42.2 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | -134.7 | 125 | 170.7 | -78 | 177.4 | 0 | 0 | 0 | 109.5 | ||||
| 83 | D | 41 | Very low | 42.4 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | -87 | 159.1 | 178.6 | -176.1 | -116.3 | 0 | 0 | 0 | 111.4 | ||||
| 84 | M | 48.4 | Very low | 42.5 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -131.6 | 101.9 | -177.2 | -178.4 | 70.8 | 74.8 | 0 | 0 | 110.6 | ||||
| 85 | P | 47.8 | Very low | 42.6 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | trans | -76.5 | 138 | -178.4 | 29.9 | -34.3 | 0 | 0 | 0 | 112.4 | ||||
| 86 | V | 39.8 | Very low | 42.4 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 75% | 0.745 | 80% | 0.802 | S | S | * | * | trans | -85.1 | 126.8 | 173.1 | 169.1 | 0 | 0 | 0 | 0 | 110.3 | M88 | V86-M88 HydrophobicContact CG1-CE 4.17Å; V86-M88 HydrophobicContact CG1-CG 4.05Å | ||
| 87 | G | 46.7 | Very low | 41.9 | Very low | 78 Ų | 78 | 138.5 Ų | 138.5 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -112 | 119.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 88 | M | 42.9 | Very low | 41.8 | Very low | 170 Ų | 170 | 132 Ų | 132 | 84% | 0.837 | 81% | 0.805 | S | S | * | * | trans | -102.8 | 130.3 | 176.2 | -58.9 | 178.6 | -174.1 | 0 | 0 | 110.8 | V86 | V86-M88 HydrophobicContact CG1-CE 4.17Å; V86-M88 HydrophobicContact CG1-CG 4.05Å | ||
| 89 | T | 45.7 | Very low | 42.1 | Very low | 155 Ų | 155 | 136 Ų | 136 | 95% | 0.951 | 81% | 0.81 | S | S | * | * | trans | -140.8 | 155.2 | 157.3 | 47 | 0 | 0 | 0 | 0 | 111 | ||||
| 90 | H | 35.9 | Very low | 42.3 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | trans | -120 | 128.8 | -165.6 | 154.7 | -71.6 | 0 | 0 | 0 | 109.7 | ||||
| 91 | G | 40.7 | Very low | 42.2 | Very low | 74 Ų | 74 | 133.6 Ų | 133.6 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | trans | -164.8 | 87.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 92 | L | 45.1 | Very low | 42.4 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | trans | -18 | 133.7 | 147.2 | -172.6 | 78.2 | 0 | 0 | 0 | 116.1 | ||||
| 93 | M | 47.9 | Very low | 41.8 | Very low | 171 Ų | 171 | 127.6 Ų | 127.6 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | 162.5 | 142.7 | 115.1 | -170.8 | 148.7 | 161.1 | 0 | 0 | 114.2 | |||||
| 94 | E | 38.2 | Very low | 41.9 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 70% | 0.696 | 82% | 0.816 | S | S | * | * | trans | -73.2 | 139.5 | 174 | 180 | -153.6 | 105 | 0 | 0 | 112.5 | ||||
| 95 | Q | 42.4 | Very low | 41.2 | Very low | 167 Ų | 167 | 127.6 Ų | 127.6 | 78% | 0.78 | 81% | 0.814 | S | S | * | * | 155.7 | 145.1 | 127.5 | -84 | -176.6 | 10.4 | 0 | 0 | 114.8 | |||||
| 96 | G | 39.8 | Very low | 41.4 | Very low | 82 Ų | 82 | 131.8 Ų | 131.8 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | 106.1 | 88.5 | 133.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 97 | G | 36 | Very low | 41.3 | Very low | 84 Ų | 84 | 132.8 Ų | 132.8 | 87% | 0.866 | 83% | 0.828 | S | S | * | * | 96.5 | 149.7 | 127.8 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 98 | G | 38.1 | Very low | 41 | Very low | 69 Ų | 69 | 136 Ų | 136 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | trans | 95.3 | 106.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 99 | L | 42.8 | Very low | 40.7 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | 54.6 | 119.1 | 57.6 | -50.5 | 174 | 0 | 0 | 0 | 110.5 | |||||
| 100 | L | 47 | Very low | 40.4 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | cis | -134.1 | 130.8 | 43.9 | -34.2 | 170 | 0 | 0 | 0 | 109.8 | ||||
| 101 | S | 37 | Very low | 40.4 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | 57.4 | 109.7 | 73.6 | -68 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 102 | G | 41.9 | Very low | 40.5 | Very low | 88 Ų | 88 | 135 Ų | 135 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | trans | 169.4 | 40.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 103 | G | 33.4 | Very low | 40.1 | Very low | 73 Ų | 73 | 130.1 Ų | 130.1 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -101.5 | 145.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 104 | L | 43.5 | Very low | 39.6 | Very low | 185 Ų | 185 | 128.5 Ų | 128.5 | 97% | 0.969 | 79% | 0.794 | S | S | * | * | trans | -136.5 | 131 | 156.5 | -78.8 | -178.5 | 0 | 0 | 0 | 110 | ||||
| 105 | T | 33.1 | Very low | 39.5 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -101.3 | 139.8 | 169.6 | 173.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 106 | M | 52 | Low | 39.3 | Very low | 198 Ų | 198 | 132.4 Ų | 132.4 | 98% | 0.975 | 81% | 0.805 | S | S | * | * | trans | -146.4 | 151.8 | 153.4 | -80.5 | -153 | 160.3 | 0 | 0 | 109.3 | ||||
| 107 | D | 36.9 | Very low | 39.2 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -125.6 | 173.5 | -157.1 | -179.5 | -137.5 | 0 | 0 | 0 | 112 | ||||
| 108 | L | 41.3 | Very low | 39.5 | Very low | 144 Ų | 144 | 133.7 Ų | 133.7 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | 86.2 | 107 | 151.8 | -153.5 | 61.9 | 0 | 0 | 0 | 119 | ||||
| 109 | D | 36.3 | Very low | 39.7 | Very low | 104 Ų | 104 | 137 Ų | 137 | 56% | 0.556 | 79% | 0.794 | S | S | * | * | trans | 29.7 | 139.5 | 144.8 | -166.9 | -113.5 | 0 | 0 | 0 | 121.5 | S111 | D109-S111 PolarHBondContact OD2-N 3.36Å; D109-S111 PolarHBondContact OD2-OG 3.44Å | ||
| 110 | H | 39 | Very low | 40.3 | Very low | 193 Ų | 193 | 135 Ų | 135 | 89% | 0.894 | 79% | 0.79 | S | S | * | * | -157.3 | 112.5 | 128 | -102.9 | 78.4 | 0 | 0 | 0 | 108.6 | |||||
| 111 | S | 37 | Very low | 40.7 | Very low | 94 Ų | 94 | 133.2 Ų | 133.2 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | trans | -86.3 | 137.4 | -174.8 | -69.6 | 0 | 0 | 0 | 0 | 114.4 | D109 | D109-S111 PolarHBondContact OD2-N 3.36Å; D109-S111 PolarHBondContact OD2-OG 3.44Å | ||
| 112 | I | 42 | Very low | 41.6 | Very low | 177 Ų | 177 | 134.7 Ų | 134.7 | 91% | 0.908 | 79% | 0.792 | S | S | * | * | trans | -171.4 | 148.5 | 149.9 | -111.8 | 163.3 | 0 | 0 | 0 | 113.8 | ||||
| 113 | G | 36.4 | Very low | 42.4 | Very low | 58 Ų | 58 | 136.4 Ų | 136.4 | 60% | 0.598 | 79% | 0.785 | S | S | * | * | trans | 97.6 | 62 | 135.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | Q115 | G113-Q115 PolarHBondContact O-N 3.31Š| ||
| 114 | T | 37.4 | Very low | 43.7 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | -18.7 | 117.2 | 154.4 | -52.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 115 | Q | 37.1 | Very low | 44.2 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -179.3 | 130.3 | 134.3 | 44 | -130.6 | -44.8 | 0 | 0 | 112.7 | G113 | G113-Q115 PolarHBondContact O-N 3.31Š| ||
| 116 | Y | 37.2 | Very low | 45.6 | Very low | 229 Ų | 229 | 137.2 Ų | 137.2 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | trans | -135.8 | 115.4 | 166.2 | -107.6 | -86.2 | 0 | 0 | 0 | 110 | ||||
| 117 | S | 37.2 | Very low | 45.8 | Very low | 100 Ų | 100 | 132.7 Ų | 132.7 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | trans | -78.7 | 152.7 | 172.2 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | N119 | S117-N119 PolarHBondContact O-ND2 2.61Š| ||
| 118 | A | 43.3 | Very low | 46.1 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -59.8 | 141.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 119 | N | 41.6 | Very low | 46.5 | Very low | 138 Ų | 138 | 134 Ų | 134 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | -109.2 | 141.1 | 175.2 | -79.4 | -84.6 | 0 | 0 | 0 | 110.1 | S117 | S117-N119 PolarHBondContact O-ND2 2.61Š| ||
| 120 | P | 56.1 | Low | 46.8 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -76 | 163.4 | 177.4 | 32.7 | -35.6 | 0 | 0 | 0 | 112.4 | ||
| 121 | P | 55.3 | Low | 47.2 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 147.2 | 178.1 | 28.9 | -35.5 | 0 | 0 | 0 | 112.6 | ||
| 122 | V | 55.1 | Low | 47.4 | Very low | 142 Ų | 142 | 135 Ų | 135 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 129.9 | -178.5 | -176.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 123 | T | 58.8 | Low | 47.4 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 147.7 | 164.4 | -170.5 | 0 | 0 | 0 | 0 | 110.4 | ||
| 124 | I | 61.2 | Low | 47.6 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 117.5 | 174.7 | -63.5 | 170.6 | 0 | 0 | 0 | 107.5 | V126 | I124-V126 HydrophobicContact CG2-CG2 4.3Š|
| 125 | D | 54.6 | Low | 48.1 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 138.1 | 172 | -166.7 | -94.3 | 0 | 0 | 0 | 109.6 | ||
| 126 | V | 61 | Low | 48.9 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | -123.8 | 107 | 177.9 | 178.7 | 0 | 0 | 0 | 0 | 108 | I124 M128 | I124-V126 HydrophobicContact CG2-CG2 4.3Å; V126-M128 PolarHBondContact O-N 3.4Å | ||
| 127 | P | 56.1 | Low | 49.1 | Very low | 103 Ų | 103 | 127.6 Ų | 127.6 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | -73.8 | 119.4 | -174.1 | 27.9 | -34.2 | 0 | 0 | 0 | 111.6 | ||||
| 128 | M | 43.1 | Very low | 49.4 | Very low | 187 Ų | 187 | 132.1 Ų | 132.1 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | -88.3 | 103.8 | 168.7 | -76.3 | -99.1 | -75.6 | 0 | 0 | 109.8 | V126 | V126-M128 PolarHBondContact O-N 3.4Š| ||
| 129 | T | 51 | Low | 49.4 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -89.5 | 112 | 176.3 | 50.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 130 | D | 41.7 | Very low | 49.5 | Very low | 139 Ų | 139 | 134.9 Ų | 134.9 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | trans | 24.7 | 112 | 146.6 | -149.5 | -53.3 | 0 | 0 | 0 | 119.2 | T132 | D130-T132 PolarHBondContact OD1-N 3.45Å; D130-T132 VanDerWaalsContact OD1-N 3.15Å | ||
| 131 | M | 47.5 | Very low | 48.5 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | trans | -135.6 | 87.9 | 148.6 | -70.5 | -158.4 | 83.9 | 0 | 0 | 111.6 | ||||
| 132 | T | 41.4 | Very low | 48.2 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 61% | 0.613 | 80% | 0.799 | S | S | * | * | trans | 56 | 105.3 | 135.8 | 61.5 | 0 | 0 | 0 | 0 | 120.4 | D130 | D130-T132 PolarHBondContact OD1-N 3.45Å; D130-T132 VanDerWaalsContact OD1-N 3.15Å | ||
| 133 | S | 41.9 | Very low | 47.8 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | 54.3 | 109.7 | 124.4 | -53.1 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 134 | G | 40.8 | Very low | 47.4 | Very low | 76 Ų | 76 | 138.3 Ų | 138.3 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | -167.6 | 32.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 135 | L | 48.9 | Very low | 46.7 | Very low | 152 Ų | 152 | 136.2 Ų | 136.2 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | 48 | 125.2 | 159 | -75.8 | 164.7 | 0 | 0 | 0 | 122.1 | ||||
| 136 | M | 52.2 | Low | 46.3 | Very low | 184 Ų | 184 | 138 Ų | 138 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | 70.4 | 134.3 | 149.5 | -61.1 | 177.5 | 172 | 0 | 0 | 120 | ||||
| 137 | G | 41.6 | Very low | 45.9 | Very low | 77 Ų | 77 | 136.7 Ų | 136.7 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | 139.2 | 48.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | S139 | G137-S139 PolarHBondContact O-N 3.5Š| ||
| 138 | H | 43.6 | Very low | 45.7 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 90% | 0.903 | 79% | 0.785 | S | S | * | * | trans | -73 | 121.6 | 171.6 | -74.5 | -83.5 | 0 | 0 | 0 | 112.4 | ||||
| 139 | S | 44.8 | Very low | 46 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -172.4 | 129.8 | 143.3 | -90.2 | 0 | 0 | 0 | 0 | 114.9 | G137 | G137-S139 PolarHBondContact O-N 3.5Š| ||
| 140 | Q | 43.3 | Very low | 45.6 | Very low | 182 Ų | 182 | 135.9 Ų | 135.9 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | 58.6 | 123.1 | 153.2 | -48.1 | -60.6 | 7.2 | 0 | 0 | 120.8 | ||||
| 141 | L | 35.4 | Very low | 46 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | trans | -94.4 | 129.2 | 165.9 | -71.3 | 156.6 | 0 | 0 | 0 | 110.2 | ||||
| 142 | T | 48.3 | Very low | 45.9 | Very low | 128 Ų | 128 | 134 Ų | 134 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -143.5 | 137.8 | 153.3 | 66.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 143 | T | 45.9 | Very low | 45.8 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -19 | 133.8 | 163.1 | 175.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 144 | I | 50.8 | Low | 45.7 | Very low | 141 Ų | 141 | 134.4 Ų | 134.4 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | trans | -105.4 | 130.9 | 156.8 | -82 | 172.6 | 0 | 0 | 0 | 108.3 | ||||
| 145 | D | 47.7 | Very low | 46 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 58% | 0.578 | 78% | 0.781 | S | S | * | * | trans | -85.9 | 156.2 | 179 | 174.8 | -104.6 | 0 | 0 | 0 | 111.9 | S147 | D145-S147 PolarHBondContact O-N 2.91Å; D145-S147 WeakPolarHBondContact OD1-CB 3.09Å; D145-S147 PolarHBondContact OD1-N 3.24Å; D145-S147 PolarHBondContact OD1-OG 2.93Å | ||
| 146 | Q | 45 | Very low | 45.5 | Very low | 175 Ų | 175 | 137.2 Ų | 137.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 10.7 | -174.2 | -70.3 | -166.5 | 102.3 | 0 | 0 | 115.5 | ||
| 147 | S | 53.9 | Low | 45.1 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 59% | 0.594 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -21.6 | 179.3 | -62.2 | 0 | 0 | 0 | 0 | 114.5 | D145 L149 | D145-S147 PolarHBondContact O-N 2.91Å; D145-S147 WeakPolarHBondContact OD1-CB 3.09Å; D145-S147 PolarHBondContact OD1-N 3.24Å; D145-S147 PolarHBondContact OD1-OG 2.93Å; S147-L149 PolarHBondContact O-N 2.94Å |
| 148 | E | 50.5 | Low | 44.9 | Very low | 148 Ų | 148 | 136 Ų | 136 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -75.7 | -25.2 | -168.5 | -149.6 | 173.3 | 116 | 0 | 0 | 114.7 | S150 | E148-S150 PolarHBondContact O-N 3.15Å; E148-S150 VanDerWaalsContact O-N 3.14Å |
| 149 | L | 49.1 | Very low | 44.5 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -68.7 | -10.2 | -178.7 | -83.1 | 164.7 | 0 | 0 | 0 | 114.6 | S147 | S147-L149 PolarHBondContact O-N 2.94Š|
| 150 | S | 43.9 | Very low | 44.2 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -90.3 | -7.2 | -176.4 | -60.9 | 0 | 0 | 0 | 0 | 114.4 | E148 | E148-S150 PolarHBondContact O-N 3.15Å; E148-S150 VanDerWaalsContact O-N 3.14Å |
| 151 | S | 49.6 | Very low | 43.8 | Very low | 95 Ų | 95 | 126.6 Ų | 126.6 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -97.1 | -9.7 | -173 | -62.2 | 0 | 0 | 0 | 0 | 115.1 | L153 G154 | S151-L153 PolarHBondContact O-N 3.26Å; S151-G154 PolarHBondContact O-N 3.14Å |
| 152 | Q | 44.5 | Very low | 44.2 | Very low | 177 Ų | 177 | 126.7 Ų | 126.7 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -5.6 | -176.6 | -155.2 | 173.7 | 15.3 | 0 | 0 | 114.3 | ||
| 153 | L | 40.5 | Very low | 43.9 | Very low | 175 Ų | 175 | 128.2 Ų | 128.2 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 33.9 | 173.1 | -64.5 | 178.8 | 0 | 0 | 0 | 112.7 | S151 L155 | S151-L153 PolarHBondContact O-N 3.26Å; L153-L155 PolarHBondContact O-N 2.89Å |
| 154 | G | 40.3 | Very low | 44 | Very low | 60 Ų | 60 | 127.3 Ų | 127.3 | 62% | 0.619 | 76% | 0.764 | S | S | * | * | trans | -87 | 72.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S151 | S151-G154 PolarHBondContact O-N 3.14Š| ||
| 155 | L | 45.7 | Very low | 43.5 | Very low | 184 Ų | 184 | 126.2 Ų | 126.2 | 96% | 0.963 | 77% | 0.766 | S | S | * | * | trans | -103.1 | 83.2 | 156.6 | -74.3 | -177.2 | 0 | 0 | 0 | 109.3 | L153 | L153-L155 PolarHBondContact O-N 2.89Š| ||
| 156 | S | 38.1 | Very low | 42.9 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -109 | 126.6 | -179.6 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 157 | L | 44 | Very low | 42.8 | Very low | 167 Ų | 167 | 126 Ų | 126 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -169.9 | 132.1 | 150.3 | -122.4 | 66.7 | 0 | 0 | 0 | 105.2 | ||||
| 158 | G | 38.3 | Very low | 42.1 | Very low | 68 Ų | 68 | 127.7 Ų | 127.7 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | cis | 85.4 | 125.3 | 20 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 159 | G | 36 | Very low | 41.7 | Very low | 80 Ų | 80 | 126 Ų | 126 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | cis | 153.4 | 135.3 | -2.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 160 | G | 37.5 | Very low | 41.1 | Very low | 66 Ų | 66 | 127.9 Ų | 127.9 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | trans | 103.2 | 125 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 161 | T | 35.2 | Very low | 40.9 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | cis | 81.4 | 98.5 | 48.5 | 65.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 162 | I | 43 | Very low | 40.6 | Very low | 177 Ų | 177 | 133 Ų | 133 | 91% | 0.908 | 79% | 0.794 | S | S | * | * | trans | -142.4 | 164.5 | 137.9 | -70.9 | -158.6 | 0 | 0 | 0 | 107.6 | ||||
| 163 | L | 42.8 | Very low | 40.6 | Very low | 160 Ų | 160 | 131.6 Ų | 131.6 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -101.4 | 168.6 | -154.9 | -75.1 | 166.6 | 0 | 0 | 0 | 116.6 | ||||
| 164 | P | 47.6 | Very low | 40.3 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | trans | -99.7 | -170 | -172.8 | 43.6 | -38.4 | 0 | 0 | 0 | 113.2 | ||||
| 165 | P | 40.4 | Very low | 40.5 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | -156.7 | 171.1 | 85.1 | 41.5 | -21.7 | 0 | 0 | 0 | 118.6 | |||||
| 166 | A | 35.4 | Very low | 40.3 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | trans | 67.3 | 155.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 167 | Q | 43.8 | Very low | 40.8 | Very low | 183 Ų | 183 | 128.8 Ų | 128.8 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | cis | -138.5 | 142.5 | 14.7 | -64.6 | 171.9 | -25.4 | 0 | 0 | 113 | ||||
| 168 | S | 37.3 | Very low | 40.8 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | 49.1 | 160 | 132.3 | -74.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 169 | P | 43.3 | Very low | 41.1 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -131.3 | -167.7 | -141.3 | 37.3 | -16.3 | 0 | 0 | 0 | 116.7 | ||||
| 170 | E | 37.2 | Very low | 41.3 | Very low | 186 Ų | 186 | 132 Ų | 132 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | trans | 124.7 | 129.4 | 146.2 | -58.7 | -156.6 | 122 | 0 | 0 | 118.4 | ||||
| 171 | D | 38.7 | Very low | 41.6 | Very low | 122 Ų | 122 | 136 Ų | 136 | 65% | 0.652 | 79% | 0.789 | S | S | * | * | trans | 84.6 | 140.9 | 148.2 | -137.3 | -168.1 | 0 | 0 | 0 | 124.2 | ||||
| 172 | R | 43.1 | Very low | 41.9 | Very low | 188 Ų | 188 | 133.5 Ų | 133.5 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | trans | 74.9 | 89.2 | 164.1 | -55.7 | -63.7 | 132.6 | 140.4 | 12.8 | 123.3 | ||||
| 173 | L | 43.8 | Very low | 42.2 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | 68.3 | 117 | 119.8 | -64.9 | 172.8 | 0 | 0 | 0 | 123.3 | |||||
| 174 | S | 35.1 | Very low | 42.2 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | 82.5 | 105 | 128 | -59.6 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 175 | T | 43.7 | Very low | 42.2 | Very low | 134 Ų | 134 | 134 Ų | 134 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | 79.6 | 105 | 127.2 | -48.4 | 0 | 0 | 0 | 0 | 120 | |||||
| 176 | T | 42.3 | Very low | 42.6 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | -85 | -172.1 | 162.5 | 61.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 177 | P | 47.6 | Very low | 42.9 | Very low | 106 Ų | 106 | 134 Ų | 134 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | cis | -140.7 | 163.4 | -0.8 | 36.5 | -15.3 | 0 | 0 | 0 | 118.9 | ||||
| 178 | S | 44.1 | Very low | 43.4 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 71.7 | 152.9 | 139.7 | -66.3 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 179 | P | 45 | Very low | 44 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | -108.1 | -175 | -178.7 | 43.7 | -36.4 | 0 | 0 | 0 | 114.2 | ||||
| 180 | T | 41.5 | Very low | 44 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -153.4 | 145.2 | 165.2 | -173.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 181 | N | 42.8 | Very low | 44.8 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | trans | -161.9 | 110.8 | 165.6 | -161.7 | 33.6 | 0 | 0 | 0 | 105.2 | ||||
| 182 | S | 41.9 | Very low | 45.7 | Very low | 87 Ų | 87 | 140.4 Ų | 140.4 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | 62.2 | 137.7 | 92.9 | -143.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 183 | L | 49.1 | Very low | 45.8 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | cis | -155.3 | 151.4 | 6.6 | -129.3 | 163.4 | 0 | 0 | 0 | 104 | ||||
| 184 | H | 41.8 | Very low | 45.8 | Very low | 130 Ų | 130 | 143.3 Ų | 143.3 | 60% | 0.602 | 78% | 0.777 | S | S | * | * | 163.5 | 144.2 | 66.1 | 169.1 | 62 | 0 | 0 | 0 | 107.5 | D186 | H184-D186 IonicContact CE1-OD2 3.46Å; H184-D186 PolarHBondContact CE1-OD2 3.42Å; H184-D186 VanDerWaalsContact CE1-OD2 3.3Å; H184-D186 IonicContact NE2-OD2 3.84Å | |||
| 185 | E | 47.9 | Very low | 46.6 | Very low | 180 Ų | 180 | 146.5 Ų | 146.5 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | 170 | 159.4 | 119.6 | 61.9 | -161.4 | 37.5 | 0 | 0 | 113 | |||||
| 186 | D | 49.3 | Very low | 46.5 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | -69.6 | 164.1 | -162.4 | -74 | -120 | 0 | 0 | 0 | 115.9 | H184 | H184-D186 IonicContact CE1-OD2 3.46Å; H184-D186 PolarHBondContact CE1-OD2 3.42Å; H184-D186 VanDerWaalsContact CE1-OD2 3.3Å; H184-D186 IonicContact NE2-OD2 3.84Å | ||
| 187 | G | 41 | Very low | 46.3 | Very low | 65 Ų | 65 | 144.8 Ų | 144.8 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | cis | 151.2 | 63.7 | 0.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 188 | V | 53.8 | Low | 46.3 | Very low | 132 Ų | 132 | 149.3 Ų | 149.3 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -146.5 | 163.9 | 168.9 | -73.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 189 | D | 51.5 | Low | 46.1 | Very low | 167 Ų | 167 | 153 Ų | 153 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | 72.2 | 27.5 | 168 | -78.5 | -66.4 | 0 | 0 | 0 | 119.6 | ||||
| 190 | D | 43.6 | Very low | 46.1 | Very low | 120 Ų | 120 | 153.7 Ų | 153.7 | 64% | 0.642 | 80% | 0.803 | S | S | * | * | trans | -116.4 | 91.5 | 158.5 | -152 | -38.7 | 0 | 0 | 0 | 113.7 | ||||
| 191 | F | 52.8 | Low | 46 | Very low | 203 Ų | 203 | 153 Ų | 153 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -146.6 | 28.4 | 166.5 | -136.6 | -88.7 | 0 | 0 | 0 | 112.3 | ||
| 192 | R | 57.6 | Low | 46.1 | Very low | 237 Ų | 237 | 152 Ų | 152 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -141.2 | 17.2 | -169.8 | -143.2 | -177.4 | -167.3 | 150.8 | 10.6 | 116.4 | ||
| 193 | R | 44.9 | Very low | 46 | Very low | 220 Ų | 220 | 154.2 Ų | 154.2 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | -148.2 | 31.3 | -179.8 | -138.7 | 178 | -62.5 | -92.6 | 1 | 116.9 | L195 | R193-L195 PolarHBondContact O-N 2.96Š| ||
| 194 | Q | 45.1 | Very low | 45.8 | Very low | 175 Ų | 175 | 154.7 Ų | 154.7 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -92.3 | 87.8 | 171.9 | -69.7 | 177.7 | -7 | 0 | 0 | 111.8 | ||||
| 195 | L | 51.8 | Low | 45.5 | Very low | 165 Ų | 165 | 154.8 Ų | 154.8 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -151.4 | 126.5 | 152.3 | -144.6 | 72.3 | 0 | 0 | 0 | 108.8 | R193 | R193-L195 PolarHBondContact O-N 2.96Š| ||
| 196 | P | 40.8 | Very low | 45.1 | Very low | 127 Ų | 127 | 149.9 Ų | 149.9 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -80.9 | 160.2 | -163.3 | 30.8 | -36.2 | 0 | 0 | 0 | 114.7 | ||||
| 197 | A | 37.4 | Very low | 44.5 | Very low | 97 Ų | 97 | 153 Ų | 153 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | -81.2 | 151.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 198 | Q | 47.7 | Very low | 44.5 | Very low | 202 Ų | 202 | 159.2 Ų | 159.2 | 94% | 0.944 | 83% | 0.827 | S | S | * | * | trans | -132.3 | 169.4 | 148.7 | -69.8 | -156.9 | 19.7 | 0 | 0 | 110.6 | ||||
| 199 | K | 40.9 | Very low | 44.1 | Very low | 194 Ų | 194 | 161.8 Ų | 161.8 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | trans | -132.6 | 128.7 | -147 | 167 | -169.9 | 174.4 | -177.5 | 0 | 112.8 | ||||
| 200 | T | 44.3 | Very low | 44 | Very low | 142 Ų | 142 | 163.8 Ų | 163.8 | 87% | 0.871 | 83% | 0.831 | S | S | * | * | trans | -153.8 | 145.6 | 153.8 | 11.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 201 | V | 39.1 | Very low | 44.2 | Very low | 124 Ų | 124 | 161.9 Ų | 161.9 | 75% | 0.752 | 83% | 0.833 | S | S | * | * | trans | -113.7 | 125.4 | 175 | 171.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 202 | V | 46 | Very low | 44.2 | Very low | 131 Ų | 131 | 158 Ų | 158 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | trans | -136.3 | 125.3 | 159.7 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 203 | V | 40 | Very low | 44 | Very low | 132 Ų | 132 | 156.5 Ų | 156.5 | 80% | 0.8 | 83% | 0.828 | S | S | * | * | trans | -98.7 | 122.3 | 169.3 | 172.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 204 | E | 43.9 | Very low | 44.2 | Very low | 160 Ų | 160 | 155.5 Ų | 155.5 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | trans | -159.1 | 167.2 | 162.4 | -111.2 | -80.2 | 42.9 | 0 | 0 | 110.3 | ||||
| 205 | T | 37.1 | Very low | 44.5 | Very low | 132 Ų | 132 | 158.5 Ų | 158.5 | 81% | 0.81 | 83% | 0.833 | S | S | * | * | trans | -100.7 | 133.4 | -156.7 | 55.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 206 | G | 39.1 | Very low | 44.6 | Very low | 76 Ų | 76 | 160.1 Ų | 160.1 | 78% | 0.784 | 83% | 0.833 | S | S | * | * | trans | -149.3 | 59.6 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | K208 | G206-K208 PolarHBondContact O-N 3.18Š| ||
| 207 | K | 36.9 | Very low | 44.8 | Very low | 212 Ų | 212 | 162.4 Ų | 162.4 | 92% | 0.922 | 83% | 0.83 | S | S | * | * | trans | -73 | 84.3 | -174.3 | -172.7 | -179.7 | 179.6 | -179.5 | 0 | 112.9 | ||||
| 208 | K | 40.7 | Very low | 46 | Very low | 196 Ų | 196 | 163.1 Ų | 163.1 | 85% | 0.852 | 82% | 0.815 | S | S | * | * | trans | -125.2 | 108.3 | 173.7 | -157.6 | 166.9 | -171.8 | 172.6 | 0 | 112.6 | G206 K210 | G206-K208 PolarHBondContact O-N 3.18Å; K208-K210 PolarHBondContact O-N 3.32Å | ||
| 209 | Q | 45.3 | Very low | 46.3 | Very low | 185 Ų | 185 | 158.3 Ų | 158.3 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -67.2 | 119.3 | -178.3 | -68.5 | 160.8 | -53.2 | 0 | 0 | 110.8 | A211 | Q209-A211 PolarHBondContact O-N 2.9Š| ||
| 210 | K | 49.1 | Very low | 47.6 | Very low | 209 Ų | 209 | 155.1 Ų | 155.1 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -74.9 | 107.8 | 167.1 | -75.6 | -178.3 | 177.1 | 175.4 | 0 | 108.3 | K208 | K208-K210 PolarHBondContact O-N 3.32Š| ||
| 211 | A | 47.5 | Very low | 48.7 | Very low | 81 Ų | 81 | 153.3 Ų | 153.3 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | trans | -53.2 | 144.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q209 K213 | Q209-A211 PolarHBondContact O-N 2.9Å; A211-K213 PolarHBondContact O-N 3.01Å | ||
| 212 | P | 52.5 | Low | 50.5 | Low | 122 Ų | 122 | 150 Ų | 150 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | -66.3 | 103 | -178.8 | 27.5 | -33.8 | 0 | 0 | 0 | 109.3 | K214 | P212-K214 PolarHBondContact O-N 2.87Š| ||
| 213 | K | 52.9 | Low | 52.3 | Low | 204 Ų | 204 | 144.7 Ų | 144.7 | 89% | 0.887 | 73% | 0.725 | S | S | * | * | trans | -56.2 | 107.9 | 168 | -74.4 | -167.6 | 174.8 | -169.8 | 0 | 107 | A211 R215 | A211-K213 PolarHBondContact O-N 3.01Å; K213-R215 PolarHBondContact O-N 2.92Å | ||
| 214 | K | 50.8 | Low | 54.5 | Low | 200 Ų | 200 | 144.6 Ų | 144.6 | 87% | 0.87 | 72% | 0.715 | S | S | * | * | trans | -46.6 | 116.5 | 176 | -70.9 | -178 | 179 | 179.7 | 0 | 106.9 | P212 K216 | P212-K214 PolarHBondContact O-N 2.87Å; K214-K216 PolarHBondContact O-N 3.37Å | ||
| 215 | R | 50.5 | Low | 56.7 | Low | 237 Ų | 237 | 143.8 Ų | 143.8 | 89% | 0.894 | 71% | 0.709 | S | S | * | * | trans | -60.7 | 107.4 | 171.7 | -81.6 | -177.8 | 154.3 | -165.7 | -8.3 | 105.9 | K213 K217 | K213-R215 PolarHBondContact O-N 2.92Å; R215-K217 PolarHBondContact O-N 2.85Å | ||
| 216 | K | 54.2 | Low | 59.4 | Low | 199 Ų | 199 | 139.7 Ų | 139.7 | 87% | 0.865 | 69% | 0.685 | S | S | * | * | trans | -45.1 | 132.3 | 156 | -72.1 | -171.1 | 172.7 | -168.9 | 0 | 105.4 | K214 K218 | K214-K216 PolarHBondContact O-N 3.37Å; K216-K218 PolarHBondContact O-N 3.15Å | ||
| 217 | K | 45.6 | Very low | 62 | Low | 176 Ų | 176 | 138.3 Ų | 138.3 | 77% | 0.765 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -52 | 124.7 | 174.4 | -117.4 | 108.4 | 171.2 | -162.3 | 0 | 105.2 | R215 D219 | R215-K217 PolarHBondContact O-N 2.85Å; K217-D219 PolarHBondContact O-N 3.29Å; K217-D219 VanDerWaalsContact O-N 3.14Å |
| 218 | K | 61.8 | Low | 64.8 | Low | 111 Ų | 111 | 131.7 Ų | 131.7 | 48% | 0.483 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 120.7 | 165.2 | -176.8 | 56.7 | 167.6 | 164.4 | 0 | 104 | K216 P220 E222 | K216-K218 PolarHBondContact O-N 3.15Å; K218-P220 VanDerWaalsContact O-N 3.15Å; K218-E222 VanDerWaalsContact CE-CD 3.42Å; K218-E222 WeakPolarHBondContact CE-OE1 3.44Å; K218-E222 VanDerWaalsContact CE-OE2 3.26Å; K218-E222 WeakPolarHBondContact CE-OE2 3.23Å; K218-E222 IonicContact NZ-OE1 2.57Å; K218-E222 PolarHBondContact NZ-OE1 3.18Å; K218-E222 IonicContact NZ-OE2 2.61Å; K218-E222 PolarHBondContact NZ-OE2 3.4Å |
| 219 | D | 54.9 | Low | 67.4 | Low | 101 Ų | 101 | 123 Ų | 123 | 54% | 0.54 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -49.7 | 121.8 | -161.9 | -60.7 | -86 | 0 | 0 | 0 | 109 | K217 N221 E222 | K217-D219 PolarHBondContact O-N 3.29Å; K217-D219 VanDerWaalsContact O-N 3.14Å; D219-N221 PolarHBondContact O-N 2.84Å; D219-E222 HydrophobicContact CB-CB 4.45Å; D219-E222 PolarHBondContact O-N 2.93Å |
| 220 | P | 68.2 | Low | 69.9 | Low | 128 Ų | 128 | 118 Ų | 118 | 83% | 0.831 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -16.7 | -161.3 | -29.4 | 36.4 | 0 | 0 | 0 | 115.4 | K218 | K218-P220 VanDerWaalsContact O-N 3.15Š|
| 221 | N | 67.3 | Low | 72.1 | Confident | 104 Ų | 104 | 109.7 Ų | 109.7 | 56% | 0.556 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -17.3 | 177.1 | -159.8 | 34.6 | 0 | 0 | 0 | 113.7 | D219 Y290 | D219-N221 PolarHBondContact O-N 2.84Å; N221-Y290 HydrophobicContact CB-CD2 4.46Å; N221-Y290 HydrophobicContact CB-CE2 4.12Å; N221-Y290 WeakPolarHBondContact O-CD2 3.16Å |
| 222 | E | 76.7 | Confident | 74.3 | Confident | 55 Ų | 55 | 107.6 Ų | 107.6 | 26% | 0.257 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -76 | 122.4 | 175.5 | -169.3 | -162.2 | 139.8 | 0 | 0 | 109.8 | K218 D219 Q224 Y290 | K218-E222 VanDerWaalsContact CE-CD 3.42Å; K218-E222 WeakPolarHBondContact CE-OE1 3.44Å; K218-E222 VanDerWaalsContact CE-OE2 3.26Å; K218-E222 WeakPolarHBondContact CE-OE2 3.23Å; K218-E222 IonicContact NZ-OE1 2.57Å; K218-E222 PolarHBondContact NZ-OE1 3.18Å; K218-E222 IonicContact NZ-OE2 2.61Å; K218-E222 PolarHBondContact NZ-OE2 3.4Å; D219-E222 HydrophobicContact CB-CB 4.45Å; D219-E222 PolarHBondContact O-N 2.93Å; E222-Q224 PolarHBondContact O-N 3.46Å; E222-Y290 HydrophobicContact CB-CE2 4.46Å |
| 223 | P | 83.4 | Confident | 76.4 | Confident | 18 Ų | 18 | 102.2 Ų | 102.2 | 12% | 0.117 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -61 | 131.3 | -177.5 | 24.5 | -34.5 | 0 | 0 | 0 | 111.9 | K225 Y283 A286 L287 | P223-K225 PolarHBondContact O-N 3.38Å; P223-Y283 HydrophobicContact CB-CD2 3.95Å; P223-Y283 HydrophobicContact CB-CE2 4.28Å; P223-Y283 HydrophobicContact CG-CD2 4.38Å; P223-Y283 HydrophobicContact CG-CE2 4.3Å; P223-Y283 VanDerWaalsContact O-CE2 3.3Å; P223-Y283 WeakPolarHBondContact O-CE2 3.49Å; P223-A286 HydrophobicContact CB-CB 3.71Å; P223-A286 HydrophobicContact CG-CB 4.2Å; P223-L287 HydrophobicContact CG-CB 4.1Å; P223-L287 HydrophobicContact CG-CD1 4.19Å |
| 224 | Q | 85.8 | Confident | 78.4 | Confident | 130 Ų | 130 | 94 Ų | 94 | 61% | 0.607 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 127 | -180 | -169.6 | 165.7 | 132.2 | 0 | 0 | 110.8 | E222 Y283 | E222-Q224 PolarHBondContact O-N 3.46Å; Q224-Y283 WeakPolarHBondContact O-CD2 3.25Å |
| 225 | K | 91.3 | Very high | 80.5 | Confident | 143 Ų | 143 | 90.7 Ų | 90.7 | 62% | 0.622 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 132.6 | 174.9 | -70.2 | 178.2 | -179.2 | -177.7 | 0 | 110.6 | P223 Y283 | P223-K225 PolarHBondContact O-N 3.38Å; K225-Y283 HydrophobicContact CB-CE2 4.23Å; K225-Y283 VanDerWaalsContact CE-OH 3.26Å; K225-Y283 WeakPolarHBondContact CE-OH 3.32Å; K225-Y283 HydrophobicContact CG-CD2 4.32Å; K225-Y283 HydrophobicContact CG-CE1 4.44Å; K225-Y283 HydrophobicContact CG-CE2 3.51Å |
| 226 | P | 92.9 | Very high | 82.6 | Confident | 47 Ų | 47 | 83 Ų | 83 | 31% | 0.305 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 151 | -178.3 | 31.2 | -40.3 | 0 | 0 | 0 | 110.9 | A279 K280 | P226-A279 HydrophobicContact CB-CB 4Å; P226-K280 HydrophobicContact CG-CB 3.96Å; P226-K280 HydrophobicContact CG-CG 4.36Å |
| 227 | V | 93.6 | Very high | 84.5 | Confident | 47 Ų | 47 | 74.1 Ų | 74.1 | 29% | 0.285 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -90.2 | 151 | 171.3 | -66.2 | 0 | 0 | 0 | 0 | 110.5 | A231 L232 T276 | V227-A231 HydrophobicContact CB-CB 3.93Å; V227-L232 HydrophobicContact CG2-CB 3.94Å; V227-L232 HydrophobicContact CG2-CD1 4.21Å; V227-T276 VanDerWaalsContact O-CG2 3.31Å; V227-T276 WeakPolarHBondContact O-CG2 3.33Å; V227-T276 PolarHBondContact O-OG1 3.02Å |
| 228 | S | 95.6 | Very high | 86.8 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 51% | 0.51 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 162 | 176.4 | 63.3 | 0 | 0 | 0 | 0 | 111.9 | Y230 A231 L232 T276 | S228-Y230 VanDerWaalsContact C-N 3.31Å; S228-Y230 PolarHBondContact O-N 2.84Å; S228-A231 CarbonylContact O-C 3.5Å; S228-A231 WeakPolarHBondContact O-CA 2.9Å; S228-A231 PolarHBondContact O-N 3.26Å; S228-A231 WeakPolarHBondContact OG-CB 3.43Å; S228-L232 PolarHBondContact O-N 2.93Å; S228-T276 VanDerWaalsContact C-OG1 3.24Å |
| 229 | A | 95.8 | Very high | 88.3 | Confident | 14 Ų | 14 | 66.2 Ų | 66.2 | 12% | 0.116 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -53.6 | -45.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L232 F233 W261 K273 T276 | A229-L232 PolarHBondContact O-N 2.67Å; A229-F233 PolarHBondContact O-N 2.88Å; A229-W261 HydrophobicContact CB-CH2 4.04Å; A229-K273 HydrophobicContact CB-CG 4.15Å; A229-T276 WeakPolarHBondContact CA-OG1 3.34Å; A229-T276 PolarHBondContact N-OG1 2.89Å; A229-T276 VanDerWaalsContact N-OG1 3.12Å |
| 230 | Y | 96.6 | Very high | 90.2 | Very high | 80 Ų | 80 | 64.1 Ų | 64.1 | 31% | 0.314 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 173.8 | 176.2 | -118.8 | 0 | 0 | 0 | 112.6 | S228 L232 F233 F234 V257 W261 | S228-Y230 VanDerWaalsContact C-N 3.31Å; S228-Y230 PolarHBondContact O-N 2.84Å; Y230-L232 VanDerWaalsContact C-N 3.32Å; Y230-L232 PolarHBondContact O-N 3.43Å; Y230-F233 HydrophobicContact CD2-CD1 4.49Å; Y230-F233 PolarHBondContact O-N 3.46Å; Y230-F234 HydrophobicContact CE1-CD2 4.41Å; Y230-F234 WeakPolarHBondContact O-CB 3.5Å; Y230-F234 PolarHBondContact O-N 2.91Å; Y230-V257 HydrophobicContact CE2-CG1 4.27Å; Y230-W261 HydrophobicContact CD2-CB 3.84Å; Y230-W261 AromaticContact CD2-CD1 3.76Å; Y230-W261 AromaticContact CD2-CD2 3.66Å; Y230-W261 HydrophobicContact CD2-CD2 3.66Å; Y230-W261 HydrophobicContact CD2-CE3 4.24Å; Y230-W261 AromaticContact CD2-CG 3.45Å; Y230-W261 HydrophobicContact CD2-CG 3.45Å; Y230-W261 VanDerWaalsContact CD2-CG 3.45Å; Y230-W261 HydrophobicContact CE2-CB 3.73Å; Y230-W261 HydrophobicContact CE2-CD2 4.47Å; Y230-W261 AromaticContact CE2-CG 3.83Å; Y230-W261 HydrophobicContact CE2-CG 3.83Å |
| 231 | A | 95.5 | Very high | 91.4 | Very high | 33 Ų | 33 | 58.4 Ų | 58.4 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -73.2 | -22.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V227 S228 R235 | V227-A231 HydrophobicContact CB-CB 3.93Å; S228-A231 CarbonylContact O-C 3.5Å; S228-A231 WeakPolarHBondContact O-CA 2.9Å; S228-A231 PolarHBondContact O-N 3.26Å; S228-A231 WeakPolarHBondContact OG-CB 3.43Å; A231-R235 PolarHBondContact O-N 2.89Å |
| 232 | L | 94.3 | Very high | 92.6 | Very high | 38 Ų | 38 | 59.1 Ų | 59.1 | 20% | 0.199 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.4 | -56.2 | 168 | -175.4 | 57.4 | 0 | 0 | 0 | 110 | V227 S228 A229 Y230 F234 R235 D236 Y272 K275 | V227-L232 HydrophobicContact CG2-CB 3.94Å; V227-L232 HydrophobicContact CG2-CD1 4.21Å; S228-L232 PolarHBondContact O-N 2.93Å; A229-L232 PolarHBondContact O-N 2.67Å; Y230-L232 VanDerWaalsContact C-N 3.32Å; Y230-L232 PolarHBondContact O-N 3.43Å; L232-F234 PolarHBondContact O-N 3.03Å; L232-R235 PolarHBondContact O-N 3.13Å; L232-D236 PolarHBondContact O-N 3.3Å; L232-Y272 HydrophobicContact CB-CD1 4.43Å; L232-Y272 HydrophobicContact CD2-CD1 4.14Å; L232-Y272 HydrophobicContact CG-CD1 4.12Å; L232-K275 HydrophobicContact CD2-CB 3.58Å; L232-K275 HydrophobicContact CD2-CD 4.04Å; L232-K275 HydrophobicContact CD2-CG 4.46Å |
| 233 | F | 96.4 | Very high | 93.4 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.035 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -53.9 | -38.5 | 174.2 | 174.5 | -101.1 | 0 | 0 | 0 | 112.6 | A229 Y230 R235 D236 T237 V257 M260 W261 L264 Y272 | A229-F233 PolarHBondContact O-N 2.88Å; Y230-F233 HydrophobicContact CD2-CD1 4.49Å; Y230-F233 PolarHBondContact O-N 3.46Å; F233-R235 VanDerWaalsContact C-N 3.32Å; F233-R235 PolarHBondContact O-N 2.88Å; F233-D236 PolarHBondContact O-N 3.15Å; F233-T237 WeakPolarHBondContact CD2-OG1 3.48Å; F233-T237 HydrophobicContact CE1-CG2 4.36Å; F233-T237 HydrophobicContact CE2-CG2 4.48Å; F233-T237 WeakPolarHBondContact CE2-OG1 3.29Å; F233-T237 HydrophobicContact CZ-CG2 3.99Å; F233-T237 WeakPolarHBondContact CZ-OG1 3.45Å; F233-T237 WeakPolarHBondContact O-CB 3.21Å; F233-T237 PolarHBondContact O-N 2.91Å; F233-T237 PolarHBondContact O-OG1 3.2Å; F233-V257 HydrophobicContact CD1-CG1 4.17Å; F233-V257 HydrophobicContact CE1-CG1 4.04Å; F233-M260 HydrophobicContact CE1-CB 4.28Å; F233-M260 HydrophobicContact CZ-CB 3.94Å; F233-W261 HydrophobicContact CB-CE3 3.73Å; F233-W261 HydrophobicContact CB-CZ3 3.77Å; F233-W261 HydrophobicContact CD1-CB 3.87Å; F233-W261 HydrophobicContact CD1-CD2 4.24Å; F233-W261 AromaticContact CD1-CE3 3.55Å; F233-W261 HydrophobicContact CD1-CE3 3.55Å; F233-W261 HydrophobicContact CD1-CG 4.41Å; F233-W261 HydrophobicContact CD1-CZ3 4.44Å; F233-W261 HydrophobicContact CD2-CE3 4.27Å; F233-W261 HydrophobicContact CE1-CB 3.65Å; F233-W261 HydrophobicContact CE1-CE3 4.21Å; F233-W261 AromaticContact CG-CE3 3.57Å; F233-W261 HydrophobicContact CG-CE3 3.57Å; F233-W261 HydrophobicContact CG-CZ3 4.04Å; F233-L264 HydrophobicContact CD2-CD1 3.91Å; F233-L264 HydrophobicContact CE2-CD1 3.71Å; F233-L264 HydrophobicContact CE2-CD2 4.23Å; F233-L264 HydrophobicContact CE2-CG 4.3Å; F233-L264 HydrophobicContact CG-CD1 4.47Å; F233-L264 HydrophobicContact CZ-CD1 4.11Å; F233-L264 HydrophobicContact CZ-CD2 4.42Å; F233-L264 HydrophobicContact CZ-CG 4.35Å; F233-Y272 HydrophobicContact CB-CD1 4.08Å; F233-Y272 HydrophobicContact CB-CD2 4.37Å; F233-Y272 HydrophobicContact CB-CE1 4.12Å; F233-Y272 HydrophobicContact CB-CE2 4.42Å; F233-Y272 HydrophobicContact CB-CG 4.23Å; F233-Y272 HydrophobicContact CD2-CD2 4.26Å; F233-Y272 HydrophobicContact CD2-CE1 4.33Å; F233-Y272 AromaticContact CD2-CE2 3.66Å; F233-Y272 HydrophobicContact CD2-CE2 3.66Å; F233-Y272 AromaticContact CD2-CZ 3.71Å; F233-Y272 HydrophobicContact CE2-CE2 4.45Å; F233-Y272 HydrophobicContact CG-CE2 4.47Å |
| 234 | F | 96 | Very high | 93.8 | Very high | 31 Ų | 31 | 66 Ų | 66 | 14% | 0.136 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 177.5 | -172.1 | -76 | 0 | 0 | 0 | 111.6 | Y230 L232 Q238 F250 V257 | Y230-F234 HydrophobicContact CE1-CD2 4.41Å; Y230-F234 WeakPolarHBondContact O-CB 3.5Å; Y230-F234 PolarHBondContact O-N 2.91Å; L232-F234 PolarHBondContact O-N 3.03Å; F234-Q238 HydrophobicContact CD1-CB 4.28Å; F234-Q238 HydrophobicContact CE1-CB 4.24Å; F234-Q238 HydrophobicContact CE1-CG 4.38Å; F234-Q238 WeakPolarHBondContact O-CA 3.41Å; F234-Q238 WeakPolarHBondContact O-CB 3.37Å; F234-Q238 PolarHBondContact O-N 3.12Å; F234-F250 AromaticContact CE1-CE2 3.97Å; F234-F250 HydrophobicContact CE1-CE2 3.97Å; F234-F250 HydrophobicContact CE1-CZ 4.22Å; F234-F250 AromaticContact CZ-CE2 3.86Å; F234-F250 HydrophobicContact CZ-CE2 3.86Å; F234-F250 AromaticContact CZ-CZ 3.84Å; F234-F250 HydrophobicContact CZ-CZ 3.84Å; F234-V257 HydrophobicContact CB-CG1 4.04Å; F234-V257 HydrophobicContact CD2-CB 4.12Å; F234-V257 HydrophobicContact CD2-CG1 3.43Å; F234-V257 VanDerWaalsContact CD2-CG1 3.43Å; F234-V257 HydrophobicContact CE2-CB 4.28Å; F234-V257 HydrophobicContact CE2-CG1 4.08Å; F234-V257 HydrophobicContact CG-CG1 3.92Å |
| 235 | R | 94.2 | Very high | 94 | Very high | 131 Ų | 131 | 63.5 Ų | 63.5 | 49% | 0.494 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.9 | -48.2 | 178.6 | -76.7 | 179.5 | 135.1 | 173.5 | -8.2 | 111.8 | A231 L232 F233 T237 A239 | A231-R235 PolarHBondContact O-N 2.89Å; L232-R235 PolarHBondContact O-N 3.13Å; F233-R235 VanDerWaalsContact C-N 3.32Å; F233-R235 PolarHBondContact O-N 2.88Å; R235-T237 VanDerWaalsContact C-N 3.34Å; R235-T237 PolarHBondContact O-N 3Å; R235-A239 PolarHBondContact O-N 3.16Å |
| 236 | D | 93.5 | Very high | 94 | Very high | 75 Ų | 75 | 60.9 Ų | 60.9 | 40% | 0.401 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.4 | -46 | 180 | -61.9 | -5.7 | 0 | 0 | 0 | 110.4 | L232 F233 A240 | L232-D236 PolarHBondContact O-N 3.3Å; F233-D236 PolarHBondContact O-N 3.15Å; D236-A240 PolarHBondContact O-N 3.31Å |
| 237 | T | 94.9 | Very high | 94 | Very high | 13 Ų | 13 | 66.2 Ų | 66.2 | 8% | 0.08 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -79.8 | -35.7 | -175.4 | -46.8 | 0 | 0 | 0 | 0 | 112.8 | F233 R235 A239 A240 I241 V257 M260 | F233-T237 WeakPolarHBondContact CD2-OG1 3.48Å; F233-T237 HydrophobicContact CE1-CG2 4.36Å; F233-T237 HydrophobicContact CE2-CG2 4.48Å; F233-T237 WeakPolarHBondContact CE2-OG1 3.29Å; F233-T237 HydrophobicContact CZ-CG2 3.99Å; F233-T237 WeakPolarHBondContact CZ-OG1 3.45Å; F233-T237 WeakPolarHBondContact O-CB 3.21Å; F233-T237 PolarHBondContact O-N 2.91Å; F233-T237 PolarHBondContact O-OG1 3.2Å; R235-T237 VanDerWaalsContact C-N 3.34Å; R235-T237 PolarHBondContact O-N 3Å; T237-A239 VanDerWaalsContact C-N 3.26Å; T237-A239 PolarHBondContact O-N 3.13Å; T237-A240 PolarHBondContact O-N 3.46Å; T237-I241 HydrophobicContact CG2-CD1 3.76Å; T237-I241 HydrophobicContact CG2-CG1 4.3Å; T237-I241 WeakPolarHBondContact O-CG1 3.48Å; T237-I241 PolarHBondContact O-N 3.29Å; T237-V257 HydrophobicContact CG2-CG2 4.11Å; T237-M260 HydrophobicContact CG2-CE 3.68Å; T237-M260 HydrophobicContact CG2-SD 3.67Å |
| 238 | Q | 94.7 | Very high | 93.8 | Very high | 53 Ų | 53 | 65.2 Ų | 65.2 | 25% | 0.248 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.8 | -39.3 | 172.7 | -178.7 | -169.6 | 11.7 | 0 | 0 | 111 | F234 K242 V253 | F234-Q238 HydrophobicContact CD1-CB 4.28Å; F234-Q238 HydrophobicContact CE1-CB 4.24Å; F234-Q238 HydrophobicContact CE1-CG 4.38Å; F234-Q238 WeakPolarHBondContact O-CA 3.41Å; F234-Q238 WeakPolarHBondContact O-CB 3.37Å; F234-Q238 PolarHBondContact O-N 3.12Å; Q238-K242 WeakPolarHBondContact O-CB 3.28Å; Q238-K242 PolarHBondContact O-N 3.01Å; Q238-V253 HydrophobicContact CB-CG1 4.3Å; Q238-V253 HydrophobicContact CG-CG1 3.86Å |
| 239 | A | 92.4 | Very high | 93.7 | Very high | 69 Ų | 69 | 65.7 Ų | 65.7 | 57% | 0.57 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.3 | -47.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | R235 T237 G243 | R235-A239 PolarHBondContact O-N 3.16Å; T237-A239 VanDerWaalsContact C-N 3.26Å; T237-A239 PolarHBondContact O-N 3.13Å; A239-G243 PolarHBondContact O-N 3.25Å |
| 240 | A | 94.3 | Very high | 93.6 | Very high | 57 Ų | 57 | 71.1 Ų | 71.1 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.1 | -52.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D236 T237 K242 G243 Q244 | D236-A240 PolarHBondContact O-N 3.31Å; T237-A240 PolarHBondContact O-N 3.46Å; A240-K242 VanDerWaalsContact C-N 3.32Å; A240-K242 PolarHBondContact O-N 3.01Å; A240-G243 PolarHBondContact O-N 2.83Å; A240-G243 VanDerWaalsContact O-N 3.16Å; A240-Q244 PolarHBondContact O-N 2.83Å; A240-Q244 VanDerWaalsContact O-N 3.08Å |
| 241 | I | 94.1 | Very high | 93.5 | Very high | 8 Ų | 8 | 69.3 Ų | 69.3 | 4% | 0.041 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.7 | -41.2 | -178.6 | -63.4 | 160.2 | 0 | 0 | 0 | 110.9 | T237 G243 Q244 N245 V253 I256 V257 M260 | T237-I241 HydrophobicContact CG2-CD1 3.76Å; T237-I241 HydrophobicContact CG2-CG1 4.3Å; T237-I241 WeakPolarHBondContact O-CG1 3.48Å; T237-I241 PolarHBondContact O-N 3.29Å; I241-G243 VanDerWaalsContact C-N 3.34Å; I241-Q244 PolarHBondContact O-N 2.98Å; I241-N245 WeakPolarHBondContact O-CB 3.48Å; I241-N245 PolarHBondContact O-N 3.49Å; I241-N245 PolarHBondContact O-ND2 3.32Å; I241-V253 HydrophobicContact CB-CG1 4.05Å; I241-V253 HydrophobicContact CD1-CG1 4.28Å; I241-V253 HydrophobicContact CG2-CB 4.4Å; I241-V253 HydrophobicContact CG2-CG1 3.96Å; I241-V253 HydrophobicContact CG2-CG2 4.01Å; I241-I256 HydrophobicContact CD1-CB 3.99Å; I241-I256 HydrophobicContact CD1-CG2 3.54Å; I241-I256 HydrophobicContact CG1-CG2 4.2Å; I241-I256 HydrophobicContact CG2-CD1 4.13Å; I241-V257 HydrophobicContact CD1-CG2 3.54Å; I241-M260 HydrophobicContact CD1-SD 4.02Å; I241-M260 HydrophobicContact CG1-SD 4.47Å |
| 242 | K | 92.4 | Very high | 93.5 | Very high | 119 Ų | 119 | 72.2 Ų | 72.2 | 52% | 0.517 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -72.1 | -27 | 179.5 | -168.8 | 175.6 | -179.8 | -173.2 | 0 | 112.8 | Q238 A240 N245 P246 | Q238-K242 WeakPolarHBondContact O-CB 3.28Å; Q238-K242 PolarHBondContact O-N 3.01Å; A240-K242 VanDerWaalsContact C-N 3.32Å; A240-K242 PolarHBondContact O-N 3.01Å; K242-N245 CarbonylContact O-C 3.44Å; K242-P246 WeakPolarHBondContact O-CA 3.34Å |
| 243 | G | 92.6 | Very high | 93.6 | Very high | 63 Ų | 63 | 70.5 Ų | 70.5 | 65% | 0.649 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.9 | -42.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A239 A240 I241 | A239-G243 PolarHBondContact O-N 3.25Å; A240-G243 PolarHBondContact O-N 2.83Å; A240-G243 VanDerWaalsContact O-N 3.16Å; I241-G243 VanDerWaalsContact C-N 3.34Å |
| 244 | Q | 93.6 | Very high | 93.6 | Very high | 154 Ų | 154 | 72 Ų | 72 | 72% | 0.72 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -73.9 | -35 | 176.4 | -68.9 | 177.1 | -29.1 | 0 | 0 | 113.1 | A240 I241 P246 | A240-Q244 PolarHBondContact O-N 2.83Å; A240-Q244 VanDerWaalsContact O-N 3.08Å; I241-Q244 PolarHBondContact O-N 2.98Å; Q244-P246 WeakPolarHBondContact O-CD 3.36Å |
| 245 | N | 88.7 | Confident | 93.6 | Very high | 77 Ų | 77 | 78 Ų | 78 | 41% | 0.412 | 44% | 0.436 | S | S | . | . | trans | -126.8 | 71.1 | -174 | -59.6 | -90.1 | 0 | 0 | 0 | 110.6 | I241 K242 N247 A248 | I241-N245 WeakPolarHBondContact O-CB 3.48Å; I241-N245 PolarHBondContact O-N 3.49Å; I241-N245 PolarHBondContact O-ND2 3.32Å; K242-N245 CarbonylContact O-C 3.44Å; N245-N247 PolarHBondContact O-N 3.39Å; N245-N247 VanDerWaalsContact O-N 3.15Å; N245-A248 HydrophobicContact CB-CB 3.77Å; N245-A248 WeakPolarHBondContact O-CB 3.34Å; N245-A248 PolarHBondContact O-N 3.43Å | ||
| 246 | P | 91.5 | Very high | 93.6 | Very high | 89 Ų | 89 | 75.1 Ų | 75.1 | 58% | 0.578 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -23.4 | -177.7 | 25 | -34.9 | 0 | 0 | 0 | 113.4 | K242 Q244 | K242-P246 WeakPolarHBondContact O-CA 3.34Å; Q244-P246 WeakPolarHBondContact O-CD 3.36Å |
| 247 | N | 92.6 | Very high | 93.8 | Very high | 159 Ų | 159 | 71.6 Ų | 71.6 | 85% | 0.85 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -13.1 | 177.1 | -64.5 | -23.5 | 0 | 0 | 0 | 113.9 | N245 | N245-N247 PolarHBondContact O-N 3.39Å; N245-N247 VanDerWaalsContact O-N 3.15Å |
| 248 | A | 89.6 | Confident | 93.8 | Very high | 26 Ų | 26 | 72.4 Ų | 72.4 | 22% | 0.215 | 42% | 0.418 | C | S | . | . | trans | -70.6 | 134.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | N245 V253 | N245-A248 HydrophobicContact CB-CB 3.77Å; N245-A248 WeakPolarHBondContact O-CB 3.34Å; N245-A248 PolarHBondContact O-N 3.43Å; A248-V253 HydrophobicContact CB-CG2 3.88Å | ||
| 249 | T | 94.2 | Very high | 93.9 | Very high | 82 Ų | 82 | 73.4 Ų | 73.4 | 50% | 0.503 | 43% | 0.432 | S | S | . | . | trans | -69.6 | 155.5 | 176.5 | 70.1 | 0 | 0 | 0 | 0 | 110.8 | G251 E252 V253 | T249-G251 PolarHBondContact O-N 3.29Å; T249-G251 VanDerWaalsContact O-N 3.12Å; T249-E252 WeakPolarHBondContact CA-OE2 3.47Å; T249-E252 WeakPolarHBondContact CB-OE2 3.4Å; T249-E252 VanDerWaalsContact CG2-OE2 3.31Å; T249-E252 WeakPolarHBondContact CG2-OE2 3.43Å; T249-E252 PolarHBondContact N-OE2 3.46Å; T249-E252 PolarHBondContact O-N 3.06Å; T249-E252 PolarHBondContact OG1-N 3.34Å; T249-E252 PolarHBondContact OG1-OE2 2.62Å; T249-V253 WeakPolarHBondContact O-CG2 3.34Å; T249-V253 PolarHBondContact O-N 3.3Å | ||
| 250 | F | 92.8 | Very high | 94 | Very high | 129 Ų | 129 | 73.9 Ų | 73.9 | 57% | 0.566 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -55.7 | -31 | 175.6 | 178.8 | -101.3 | 0 | 0 | 0 | 112.9 | F234 S254 | F234-F250 AromaticContact CE1-CE2 3.97Å; F234-F250 HydrophobicContact CE1-CE2 3.97Å; F234-F250 HydrophobicContact CE1-CZ 4.22Å; F234-F250 AromaticContact CZ-CE2 3.86Å; F234-F250 HydrophobicContact CZ-CE2 3.86Å; F234-F250 AromaticContact CZ-CZ 3.84Å; F234-F250 HydrophobicContact CZ-CZ 3.84Å; F250-S254 WeakPolarHBondContact O-CB 3.47Å; F250-S254 PolarHBondContact O-N 3.2Å |
| 251 | G | 95.6 | Very high | 94.1 | Very high | 41 Ų | 41 | 73 Ų | 73 | 42% | 0.423 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.9 | -34.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T249 K255 | T249-G251 PolarHBondContact O-N 3.29Å; T249-G251 VanDerWaalsContact O-N 3.12Å; G251-K255 WeakPolarHBondContact O-CG 3.45Å; G251-K255 PolarHBondContact O-N 3.43Å |
| 252 | E | 95.6 | Very high | 94.2 | Very high | 94 Ų | 94 | 77.9 Ų | 77.9 | 44% | 0.439 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -73.1 | -48.1 | 174.5 | -69.6 | 154.1 | 133.1 | 0 | 0 | 110.6 | T249 S254 K255 I256 | T249-E252 WeakPolarHBondContact CA-OE2 3.47Å; T249-E252 WeakPolarHBondContact CB-OE2 3.4Å; T249-E252 VanDerWaalsContact CG2-OE2 3.31Å; T249-E252 WeakPolarHBondContact CG2-OE2 3.43Å; T249-E252 PolarHBondContact N-OE2 3.46Å; T249-E252 PolarHBondContact O-N 3.06Å; T249-E252 PolarHBondContact OG1-N 3.34Å; T249-E252 PolarHBondContact OG1-OE2 2.62Å; E252-S254 VanDerWaalsContact C-N 3.28Å; E252-S254 PolarHBondContact O-N 2.92Å; E252-K255 WeakPolarHBondContact O-CB 3.48Å; E252-K255 PolarHBondContact O-N 3.3Å; E252-I256 WeakPolarHBondContact O-CG1 3.47Å; E252-I256 PolarHBondContact O-N 2.86Å |
| 253 | V | 95.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 77 Ų | 77 | 2% | 0.018 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -57.4 | -42.7 | 175.9 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | Q238 I241 A248 T249 K255 I256 V257 | Q238-V253 HydrophobicContact CB-CG1 4.3Å; Q238-V253 HydrophobicContact CG-CG1 3.86Å; I241-V253 HydrophobicContact CB-CG1 4.05Å; I241-V253 HydrophobicContact CD1-CG1 4.28Å; I241-V253 HydrophobicContact CG2-CB 4.4Å; I241-V253 HydrophobicContact CG2-CG1 3.96Å; I241-V253 HydrophobicContact CG2-CG2 4.01Å; A248-V253 HydrophobicContact CB-CG2 3.88Å; T249-V253 WeakPolarHBondContact O-CG2 3.34Å; T249-V253 PolarHBondContact O-N 3.3Å; V253-K255 VanDerWaalsContact C-N 3.3Å; V253-K255 PolarHBondContact O-N 3.18Å; V253-I256 PolarHBondContact O-N 3Å; V253-V257 HydrophobicContact CG1-CG2 4.26Å; V253-V257 VanDerWaalsContact O-CG2 3.31Å; V253-V257 WeakPolarHBondContact O-CG2 3.19Å; V253-V257 PolarHBondContact O-N 3.36Å |
| 254 | S | 95.4 | Very high | 94.5 | Very high | 38 Ų | 38 | 75.3 Ų | 75.3 | 27% | 0.266 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.4 | -29.1 | 177.4 | -173.6 | 0 | 0 | 0 | 0 | 114 | F250 E252 A258 | F250-S254 WeakPolarHBondContact O-CB 3.47Å; F250-S254 PolarHBondContact O-N 3.2Å; E252-S254 VanDerWaalsContact C-N 3.28Å; E252-S254 PolarHBondContact O-N 2.92Å; S254-A258 PolarHBondContact O-N 3.02Å |
| 255 | K | 96.2 | Very high | 94.6 | Very high | 158 Ų | 158 | 69.9 Ų | 69.9 | 69% | 0.687 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -73.9 | -43.2 | 174.2 | -73.7 | 170.1 | -179.6 | -178 | 0 | 111.2 | G251 E252 V253 A258 S259 | G251-K255 WeakPolarHBondContact O-CG 3.45Å; G251-K255 PolarHBondContact O-N 3.43Å; E252-K255 WeakPolarHBondContact O-CB 3.48Å; E252-K255 PolarHBondContact O-N 3.3Å; V253-K255 VanDerWaalsContact C-N 3.3Å; V253-K255 PolarHBondContact O-N 3.18Å; K255-A258 PolarHBondContact O-N 3.1Å; K255-S259 PolarHBondContact O-N 3.17Å |
| 256 | I | 95.1 | Very high | 94.9 | Very high | 71 Ų | 71 | 70.5 Ų | 70.5 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 178 | -60.7 | 163.1 | 0 | 0 | 0 | 109.8 | I241 E252 V253 A258 S259 M260 | I241-I256 HydrophobicContact CD1-CB 3.99Å; I241-I256 HydrophobicContact CD1-CG2 3.54Å; I241-I256 HydrophobicContact CG1-CG2 4.2Å; I241-I256 HydrophobicContact CG2-CD1 4.13Å; E252-I256 WeakPolarHBondContact O-CG1 3.47Å; E252-I256 PolarHBondContact O-N 2.86Å; V253-I256 PolarHBondContact O-N 3Å; I256-A258 PolarHBondContact O-N 3.46Å; I256-S259 PolarHBondContact O-N 3.01Å; I256-M260 HydrophobicContact CG2-CG 4.33Å; I256-M260 HydrophobicContact CG2-SD 3.97Å; I256-M260 WeakPolarHBondContact O-CB 3.18Å; I256-M260 VanDerWaalsContact O-CG 3.31Å; I256-M260 WeakPolarHBondContact O-CG 3.49Å; I256-M260 PolarHBondContact O-N 3.5Å |
| 257 | V | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 176.2 | 173 | 0 | 0 | 0 | 0 | 112.3 | Y230 F233 F234 T237 I241 V253 M260 W261 | Y230-V257 HydrophobicContact CE2-CG1 4.27Å; F233-V257 HydrophobicContact CD1-CG1 4.17Å; F233-V257 HydrophobicContact CE1-CG1 4.04Å; F234-V257 HydrophobicContact CB-CG1 4.04Å; F234-V257 HydrophobicContact CD2-CB 4.12Å; F234-V257 HydrophobicContact CD2-CG1 3.43Å; F234-V257 VanDerWaalsContact CD2-CG1 3.43Å; F234-V257 HydrophobicContact CE2-CB 4.28Å; F234-V257 HydrophobicContact CE2-CG1 4.08Å; F234-V257 HydrophobicContact CG-CG1 3.92Å; T237-V257 HydrophobicContact CG2-CG2 4.11Å; I241-V257 HydrophobicContact CD1-CG2 3.54Å; V253-V257 HydrophobicContact CG1-CG2 4.26Å; V253-V257 VanDerWaalsContact O-CG2 3.31Å; V253-V257 WeakPolarHBondContact O-CG2 3.19Å; V253-V257 PolarHBondContact O-N 3.36Å; V257-M260 PolarHBondContact O-N 3.15Å; V257-W261 WeakPolarHBondContact O-CB 3.44Å; V257-W261 PolarHBondContact O-N 3.16Å |
| 258 | A | 96.2 | Very high | 95.2 | Very high | 30 Ų | 30 | 70.8 Ų | 70.8 | 25% | 0.248 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.8 | -52.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | S254 K255 I256 M260 W261 D262 | S254-A258 PolarHBondContact O-N 3.02Å; K255-A258 PolarHBondContact O-N 3.1Å; I256-A258 PolarHBondContact O-N 3.46Å; A258-M260 VanDerWaalsContact C-N 3.29Å; A258-M260 PolarHBondContact O-N 3.3Å; A258-W261 WeakPolarHBondContact O-CB 3.3Å; A258-W261 PolarHBondContact O-N 3.11Å; A258-W261 VanDerWaalsContact O-N 3.07Å; A258-D262 PolarHBondContact O-N 2.9Å |
| 259 | S | 96.3 | Very high | 95.5 | Very high | 75 Ų | 75 | 71.3 Ų | 71.3 | 52% | 0.524 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.9 | -40.7 | 177.4 | -169.2 | 0 | 0 | 0 | 0 | 112.6 | K255 I256 S263 | K255-S259 PolarHBondContact O-N 3.17Å; I256-S259 PolarHBondContact O-N 3.01Å; S259-S263 WeakPolarHBondContact O-CB 3.27Å; S259-S263 PolarHBondContact O-N 3.44Å; S259-S263 PolarHBondContact O-OG 3.48Å |
| 260 | M | 95.2 | Very high | 95.6 | Very high | 79 Ų | 79 | 70.8 Ų | 70.8 | 39% | 0.389 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 176.4 | -72.5 | 179.4 | 68.6 | 0 | 0 | 112.3 | F233 T237 I241 I256 V257 A258 S263 L264 | F233-M260 HydrophobicContact CE1-CB 4.28Å; F233-M260 HydrophobicContact CZ-CB 3.94Å; T237-M260 HydrophobicContact CG2-CE 3.68Å; T237-M260 HydrophobicContact CG2-SD 3.67Å; I241-M260 HydrophobicContact CD1-SD 4.02Å; I241-M260 HydrophobicContact CG1-SD 4.47Å; I256-M260 HydrophobicContact CG2-CG 4.33Å; I256-M260 HydrophobicContact CG2-SD 3.97Å; I256-M260 WeakPolarHBondContact O-CB 3.18Å; I256-M260 VanDerWaalsContact O-CG 3.31Å; I256-M260 WeakPolarHBondContact O-CG 3.49Å; I256-M260 PolarHBondContact O-N 3.5Å; V257-M260 PolarHBondContact O-N 3.15Å; A258-M260 VanDerWaalsContact C-N 3.29Å; A258-M260 PolarHBondContact O-N 3.3Å; M260-S263 PolarHBondContact O-N 3.19Å; M260-L264 WeakPolarHBondContact O-CG 3.36Å; M260-L264 PolarHBondContact O-N 3.43Å; M260-L264 VanDerWaalsContact O-N 3.11Å |
| 261 | W | 96.7 | Very high | 95.7 | Very high | 38 Ų | 38 | 67.4 Ų | 67.4 | 14% | 0.144 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 175.5 | 174.9 | -101.7 | 0 | 0 | 0 | 111.1 | A229 Y230 F233 V257 A258 S263 L264 K269 Y272 | A229-W261 HydrophobicContact CB-CH2 4.04Å; Y230-W261 HydrophobicContact CD2-CB 3.84Å; Y230-W261 AromaticContact CD2-CD1 3.76Å; Y230-W261 AromaticContact CD2-CD2 3.66Å; Y230-W261 HydrophobicContact CD2-CD2 3.66Å; Y230-W261 HydrophobicContact CD2-CE3 4.24Å; Y230-W261 AromaticContact CD2-CG 3.45Å; Y230-W261 HydrophobicContact CD2-CG 3.45Å; Y230-W261 VanDerWaalsContact CD2-CG 3.45Å; Y230-W261 HydrophobicContact CE2-CB 3.73Å; Y230-W261 HydrophobicContact CE2-CD2 4.47Å; Y230-W261 AromaticContact CE2-CG 3.83Å; Y230-W261 HydrophobicContact CE2-CG 3.83Å; F233-W261 HydrophobicContact CB-CE3 3.73Å; F233-W261 HydrophobicContact CB-CZ3 3.77Å; F233-W261 HydrophobicContact CD1-CB 3.87Å; F233-W261 HydrophobicContact CD1-CD2 4.24Å; F233-W261 AromaticContact CD1-CE3 3.55Å; F233-W261 HydrophobicContact CD1-CE3 3.55Å; F233-W261 HydrophobicContact CD1-CG 4.41Å; F233-W261 HydrophobicContact CD1-CZ3 4.44Å; F233-W261 HydrophobicContact CD2-CE3 4.27Å; F233-W261 HydrophobicContact CE1-CB 3.65Å; F233-W261 HydrophobicContact CE1-CE3 4.21Å; F233-W261 AromaticContact CG-CE3 3.57Å; F233-W261 HydrophobicContact CG-CE3 3.57Å; F233-W261 HydrophobicContact CG-CZ3 4.04Å; V257-W261 WeakPolarHBondContact O-CB 3.44Å; V257-W261 PolarHBondContact O-N 3.16Å; A258-W261 WeakPolarHBondContact O-CB 3.3Å; A258-W261 PolarHBondContact O-N 3.11Å; A258-W261 VanDerWaalsContact O-N 3.07Å; W261-S263 VanDerWaalsContact C-N 3.28Å; W261-S263 PolarHBondContact O-N 2.96Å; W261-L264 HydrophobicContact CE3-CD1 3.7Å; W261-L264 HydrophobicContact CZ3-CD1 4.02Å; W261-L264 WeakPolarHBondContact O-CB 3.48Å; W261-L264 PolarHBondContact O-N 2.82Å; W261-L264 VanDerWaalsContact O-N 3.1Å; W261-K269 HydrophobicContact CH2-CB 4.15Å; W261-K269 HydrophobicContact CH2-CG 3.98Å; W261-K269 HydrophobicContact CZ2-CB 4.37Å; W261-K269 HydrophobicContact CZ2-CG 3.98Å; W261-K269 HydrophobicContact CZ3-CG 4.27Å; W261-K269 WeakPolarHBondContact O-CE 3.36Å; W261-K269 PolarHBondContact O-NZ 3.1Å; W261-Y272 HydrophobicContact CZ3-CD2 4.08Å; W261-Y272 HydrophobicContact CZ3-CG 4.23Å |
| 262 | D | 96.4 | Very high | 95.8 | Very high | 111 Ų | 111 | 67.4 Ų | 67.4 | 59% | 0.594 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.3 | -39.4 | 179.3 | -65.1 | -36.3 | 0 | 0 | 0 | 110.9 | A258 L264 K269 | A258-D262 PolarHBondContact O-N 2.9Å; D262-L264 VanDerWaalsContact C-N 3.33Å; D262-L264 PolarHBondContact O-N 3.42Å; D262-K269 PolarHBondContact O-NZ 3.42Å |
| 263 | S | 96.1 | Very high | 95.8 | Very high | 99 Ų | 99 | 67 Ų | 67 | 69% | 0.692 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -69.8 | -13.6 | 173.5 | -59.4 | 0 | 0 | 0 | 0 | 116.2 | S259 M260 W261 | S259-S263 WeakPolarHBondContact O-CB 3.27Å; S259-S263 PolarHBondContact O-N 3.44Å; S259-S263 PolarHBondContact O-OG 3.48Å; M260-S263 PolarHBondContact O-N 3.19Å; W261-S263 VanDerWaalsContact C-N 3.28Å; W261-S263 PolarHBondContact O-N 2.96Å |
| 264 | L | 95.2 | Very high | 95.9 | Very high | 28 Ų | 28 | 73.9 Ų | 73.9 | 15% | 0.147 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -66.1 | 138.4 | 175.5 | -64.1 | -172.8 | 0 | 0 | 0 | 111 | F233 M260 W261 D262 Q268 K269 Y272 | F233-L264 HydrophobicContact CD2-CD1 3.91Å; F233-L264 HydrophobicContact CE2-CD1 3.71Å; F233-L264 HydrophobicContact CE2-CD2 4.23Å; F233-L264 HydrophobicContact CE2-CG 4.3Å; F233-L264 HydrophobicContact CG-CD1 4.47Å; F233-L264 HydrophobicContact CZ-CD1 4.11Å; F233-L264 HydrophobicContact CZ-CD2 4.42Å; F233-L264 HydrophobicContact CZ-CG 4.35Å; M260-L264 WeakPolarHBondContact O-CG 3.36Å; M260-L264 PolarHBondContact O-N 3.43Å; M260-L264 VanDerWaalsContact O-N 3.11Å; W261-L264 HydrophobicContact CE3-CD1 3.7Å; W261-L264 HydrophobicContact CZ3-CD1 4.02Å; W261-L264 WeakPolarHBondContact O-CB 3.48Å; W261-L264 PolarHBondContact O-N 2.82Å; W261-L264 VanDerWaalsContact O-N 3.1Å; D262-L264 VanDerWaalsContact C-N 3.33Å; D262-L264 PolarHBondContact O-N 3.42Å; L264-Q268 HydrophobicContact CB-CB 4.16Å; L264-Q268 HydrophobicContact CD1-CB 4.31Å; L264-K269 HydrophobicContact CB-CD 4.49Å; L264-K269 HydrophobicContact CB-CG 4Å; L264-K269 VanDerWaalsContact O-CE 3.25Å; L264-K269 WeakPolarHBondContact O-CE 3.37Å; L264-K269 PolarHBondContact O-NZ 2.83Å; L264-Y272 HydrophobicContact CD1-CD2 4.33Å; L264-Y272 HydrophobicContact CD1-CE2 4.26Å |
| 265 | G | 95.7 | Very high | 95.9 | Very high | 40 Ų | 40 | 76.5 Ų | 76.5 | 41% | 0.412 | 39% | 0.388 | S | S | . | . | trans | -62.6 | 153.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E267 Q268 K269 | G265-E267 PolarHBondContact O-N 3.05Å; G265-Q268 PolarHBondContact O-N 3.37Å; G265-K269 PolarHBondContact O-N 2.88Å | ||
| 266 | E | 94.9 | Very high | 95.8 | Very high | 91 Ų | 91 | 70.2 Ų | 70.2 | 43% | 0.425 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.9 | -29.6 | -178.5 | 177.1 | 55 | -162.9 | 0 | 0 | 112.1 | Q268 K269 Q270 K273 | E266-Q268 PolarHBondContact O-N 3.03Å; E266-K269 CarbonylContact O-C 3.59Å; E266-K269 PolarHBondContact O-N 3.28Å; E266-K269 WeakPolarHBondContact OE2-CB 3.49Å; E266-Q270 HydrophobicContact CG-CG 4.2Å; E266-Q270 WeakPolarHBondContact O-CB 3.44Å; E266-Q270 WeakPolarHBondContact O-CG 3.45Å; E266-Q270 PolarHBondContact O-N 3.08Å; E266-Q270 VanDerWaalsContact OE1-CG 3.29Å; E266-Q270 WeakPolarHBondContact OE1-CG 3.15Å; E266-Q270 PolarHBondContact OE1-NE2 3.3Å; E266-K273 IonicContact OE1-NZ 2.67Å; E266-K273 PolarHBondContact OE1-NZ 3.3Å; E266-K273 IonicContact OE2-NZ 3.3Å; E266-K273 PolarHBondContact OE2-NZ 3.44Å |
| 267 | E | 95.3 | Very high | 95.9 | Very high | 154 Ų | 154 | 73 Ų | 73 | 72% | 0.72 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -59.5 | -44.3 | 171.5 | -174.8 | 179.4 | 78.7 | 0 | 0 | 112.6 | G265 Q270 V271 | G265-E267 PolarHBondContact O-N 3.05Å; E267-Q270 WeakPolarHBondContact O-CB 3.43Å; E267-Q270 PolarHBondContact O-N 3.14Å; E267-V271 PolarHBondContact O-N 2.83Å |
| 268 | Q | 95 | Very high | 95.9 | Very high | 100 Ų | 100 | 75.9 Ų | 75.9 | 47% | 0.467 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 177.5 | -68 | 174 | -32.5 | 0 | 0 | 110.9 | L264 G265 E266 Q270 V271 Y272 | L264-Q268 HydrophobicContact CB-CB 4.16Å; L264-Q268 HydrophobicContact CD1-CB 4.31Å; G265-Q268 PolarHBondContact O-N 3.37Å; E266-Q268 PolarHBondContact O-N 3.03Å; Q268-Q270 VanDerWaalsContact C-N 3.28Å; Q268-Q270 PolarHBondContact O-N 3.17Å; Q268-V271 WeakPolarHBondContact O-CB 3.24Å; Q268-V271 PolarHBondContact O-N 3.16Å; Q268-Y272 VanDerWaalsContact O-CD2 3.27Å; Q268-Y272 WeakPolarHBondContact O-CD2 3.42Å; Q268-Y272 PolarHBondContact O-N 3.32Å |
| 269 | K | 95.2 | Very high | 95.9 | Very high | 36 Ų | 36 | 76.2 Ų | 76.2 | 16% | 0.157 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.9 | -40.3 | 171.2 | -70.2 | 166.1 | 169.9 | 144.9 | 0 | 111 | W261 D262 L264 G265 E266 Y272 K273 | W261-K269 HydrophobicContact CH2-CB 4.15Å; W261-K269 HydrophobicContact CH2-CG 3.98Å; W261-K269 HydrophobicContact CZ2-CB 4.37Å; W261-K269 HydrophobicContact CZ2-CG 3.98Å; W261-K269 HydrophobicContact CZ3-CG 4.27Å; W261-K269 WeakPolarHBondContact O-CE 3.36Å; W261-K269 PolarHBondContact O-NZ 3.1Å; D262-K269 PolarHBondContact O-NZ 3.42Å; L264-K269 HydrophobicContact CB-CD 4.49Å; L264-K269 HydrophobicContact CB-CG 4Å; L264-K269 VanDerWaalsContact O-CE 3.25Å; L264-K269 WeakPolarHBondContact O-CE 3.37Å; L264-K269 PolarHBondContact O-NZ 2.83Å; G265-K269 PolarHBondContact O-N 2.88Å; E266-K269 CarbonylContact O-C 3.59Å; E266-K269 PolarHBondContact O-N 3.28Å; E266-K269 WeakPolarHBondContact OE2-CB 3.49Å; K269-Y272 PolarHBondContact O-N 3.23Å; K269-K273 WeakPolarHBondContact O-CG 3.39Å; K269-K273 PolarHBondContact O-N 2.85Å |
| 270 | Q | 96 | Very high | 95.7 | Very high | 71 Ų | 71 | 78.6 Ų | 78.6 | 33% | 0.332 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.3 | -36.3 | 174.6 | -73.4 | -73.2 | -3.6 | 0 | 0 | 113.1 | E266 E267 Q268 Y272 K273 R274 | E266-Q270 HydrophobicContact CG-CG 4.2Å; E266-Q270 WeakPolarHBondContact O-CB 3.44Å; E266-Q270 WeakPolarHBondContact O-CG 3.45Å; E266-Q270 PolarHBondContact O-N 3.08Å; E266-Q270 VanDerWaalsContact OE1-CG 3.29Å; E266-Q270 WeakPolarHBondContact OE1-CG 3.15Å; E266-Q270 PolarHBondContact OE1-NE2 3.3Å; E267-Q270 WeakPolarHBondContact O-CB 3.43Å; E267-Q270 PolarHBondContact O-N 3.14Å; Q268-Q270 VanDerWaalsContact C-N 3.28Å; Q268-Q270 PolarHBondContact O-N 3.17Å; Q270-Y272 VanDerWaalsContact C-N 3.31Å; Q270-Y272 PolarHBondContact O-N 3.4Å; Q270-K273 HydrophobicContact CG-CD 4.44Å; Q270-K273 PolarHBondContact O-N 3.08Å; Q270-R274 WeakPolarHBondContact O-CB 3.45Å; Q270-R274 WeakPolarHBondContact O-CG 3.49Å; Q270-R274 PolarHBondContact O-N 3.47Å |
| 271 | V | 96.2 | Very high | 95.8 | Very high | 59 Ų | 59 | 82.7 Ų | 82.7 | 36% | 0.358 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 171.2 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | E267 Q268 K275 | E267-V271 PolarHBondContact O-N 2.83Å; Q268-V271 WeakPolarHBondContact O-CB 3.24Å; Q268-V271 PolarHBondContact O-N 3.16Å; V271-K275 HydrophobicContact CG1-CD 4.44Å; V271-K275 WeakPolarHBondContact O-CB 3.2Å; V271-K275 WeakPolarHBondContact O-CG 3.27Å; V271-K275 PolarHBondContact O-N 2.86Å |
| 272 | Y | 96.8 | Very high | 95.6 | Very high | 41 Ų | 41 | 87.5 Ų | 87.5 | 16% | 0.161 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -70.3 | -35.9 | 174.4 | -72.2 | -76.8 | 0 | 0 | 0 | 113.3 | L232 F233 W261 L264 Q268 K269 Q270 K275 T276 | L232-Y272 HydrophobicContact CB-CD1 4.43Å; L232-Y272 HydrophobicContact CD2-CD1 4.14Å; L232-Y272 HydrophobicContact CG-CD1 4.12Å; F233-Y272 HydrophobicContact CB-CD1 4.08Å; F233-Y272 HydrophobicContact CB-CD2 4.37Å; F233-Y272 HydrophobicContact CB-CE1 4.12Å; F233-Y272 HydrophobicContact CB-CE2 4.42Å; F233-Y272 HydrophobicContact CB-CG 4.23Å; F233-Y272 HydrophobicContact CD2-CD2 4.26Å; F233-Y272 HydrophobicContact CD2-CE1 4.33Å; F233-Y272 AromaticContact CD2-CE2 3.66Å; F233-Y272 HydrophobicContact CD2-CE2 3.66Å; F233-Y272 AromaticContact CD2-CZ 3.71Å; F233-Y272 HydrophobicContact CE2-CE2 4.45Å; F233-Y272 HydrophobicContact CG-CE2 4.47Å; W261-Y272 HydrophobicContact CZ3-CD2 4.08Å; W261-Y272 HydrophobicContact CZ3-CG 4.23Å; L264-Y272 HydrophobicContact CD1-CD2 4.33Å; L264-Y272 HydrophobicContact CD1-CE2 4.26Å; Q268-Y272 VanDerWaalsContact O-CD2 3.27Å; Q268-Y272 WeakPolarHBondContact O-CD2 3.42Å; Q268-Y272 PolarHBondContact O-N 3.32Å; K269-Y272 PolarHBondContact O-N 3.23Å; Q270-Y272 VanDerWaalsContact C-N 3.31Å; Q270-Y272 PolarHBondContact O-N 3.4Å; Y272-K275 HydrophobicContact CD1-CD 4.14Å; Y272-K275 HydrophobicContact CE1-CD 4.34Å; Y272-K275 PolarHBondContact O-N 3.34Å; Y272-T276 PolarHBondContact O-N 2.99Å |
| 273 | K | 96.1 | Very high | 95.5 | Very high | 86 Ų | 86 | 84 Ų | 84 | 37% | 0.374 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -57.6 | -51.7 | 171.1 | -69.5 | 169.2 | -176.3 | 174.6 | 0 | 110.8 | A229 E266 K269 Q270 K275 T276 E277 | A229-K273 HydrophobicContact CB-CG 4.15Å; E266-K273 IonicContact OE1-NZ 2.67Å; E266-K273 PolarHBondContact OE1-NZ 3.3Å; E266-K273 IonicContact OE2-NZ 3.3Å; E266-K273 PolarHBondContact OE2-NZ 3.44Å; K269-K273 WeakPolarHBondContact O-CG 3.39Å; K269-K273 PolarHBondContact O-N 2.85Å; Q270-K273 HydrophobicContact CG-CD 4.44Å; Q270-K273 PolarHBondContact O-N 3.08Å; K273-K275 PolarHBondContact O-N 3.48Å; K273-T276 PolarHBondContact O-N 3.43Å; K273-E277 PolarHBondContact O-N 2.94Å |
| 274 | R | 96.8 | Very high | 95.4 | Very high | 146 Ų | 146 | 84 Ų | 84 | 55% | 0.551 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -60.8 | -41.8 | 176.8 | -68.1 | 178.5 | -135.7 | 154.7 | 4 | 112.8 | Q270 E277 A278 | Q270-R274 WeakPolarHBondContact O-CB 3.45Å; Q270-R274 WeakPolarHBondContact O-CG 3.49Å; Q270-R274 PolarHBondContact O-N 3.47Å; R274-E277 PolarHBondContact O-N 3.1Å; R274-A278 WeakPolarHBondContact O-CB 3.5Å; R274-A278 PolarHBondContact O-N 3.41Å |
| 275 | K | 95.7 | Very high | 95.4 | Very high | 93 Ų | 93 | 90.8 Ų | 90.8 | 40% | 0.404 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 174.3 | -77.7 | 176.4 | 175.1 | -176 | 0 | 111.9 | L232 V271 Y272 K273 A278 A279 | L232-K275 HydrophobicContact CD2-CB 3.58Å; L232-K275 HydrophobicContact CD2-CD 4.04Å; L232-K275 HydrophobicContact CD2-CG 4.46Å; V271-K275 HydrophobicContact CG1-CD 4.44Å; V271-K275 WeakPolarHBondContact O-CB 3.2Å; V271-K275 WeakPolarHBondContact O-CG 3.27Å; V271-K275 PolarHBondContact O-N 2.86Å; Y272-K275 HydrophobicContact CD1-CD 4.14Å; Y272-K275 HydrophobicContact CE1-CD 4.34Å; Y272-K275 PolarHBondContact O-N 3.34Å; K273-K275 PolarHBondContact O-N 3.48Å; K275-A278 PolarHBondContact O-N 3.23Å; K275-A279 WeakPolarHBondContact O-CB 3.41Å; K275-A279 PolarHBondContact O-N 3.25Å |
| 276 | T | 95.6 | Very high | 95.3 | Very high | 26 Ų | 26 | 90.8 Ų | 90.8 | 16% | 0.16 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 176 | -79.1 | 0 | 0 | 0 | 0 | 112.1 | V227 S228 A229 Y272 K273 K280 | V227-T276 VanDerWaalsContact O-CG2 3.31Å; V227-T276 WeakPolarHBondContact O-CG2 3.33Å; V227-T276 PolarHBondContact O-OG1 3.02Å; S228-T276 VanDerWaalsContact C-OG1 3.24Å; A229-T276 WeakPolarHBondContact CA-OG1 3.34Å; A229-T276 PolarHBondContact N-OG1 2.89Å; A229-T276 VanDerWaalsContact N-OG1 3.12Å; Y272-T276 PolarHBondContact O-N 2.99Å; K273-T276 PolarHBondContact O-N 3.43Å; T276-K280 WeakPolarHBondContact O-CB 3.5Å; T276-K280 PolarHBondContact O-N 3.18Å |
| 277 | E | 96.3 | Very high | 95.1 | Very high | 131 Ų | 131 | 88.8 Ų | 88.8 | 61% | 0.612 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.7 | -43.8 | 176.5 | -165.4 | -167 | 136.7 | 0 | 0 | 112.1 | K273 R274 A279 K280 K281 | K273-E277 PolarHBondContact O-N 2.94Å; R274-E277 PolarHBondContact O-N 3.1Å; E277-A279 PolarHBondContact O-N 3.41Å; E277-K280 WeakPolarHBondContact O-CA 3.38Å; E277-K280 WeakPolarHBondContact O-CB 3.25Å; E277-K280 PolarHBondContact O-N 3.45Å; E277-K280 VanDerWaalsContact O-N 3.1Å; E277-K281 PolarHBondContact O-N 3Å |
| 278 | A | 96.5 | Very high | 94.9 | Very high | 60 Ų | 60 | 84.5 Ų | 84.5 | 50% | 0.496 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.3 | -48 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R274 K275 K280 K281 E282 | R274-A278 WeakPolarHBondContact O-CB 3.5Å; R274-A278 PolarHBondContact O-N 3.41Å; K275-A278 PolarHBondContact O-N 3.23Å; A278-K280 VanDerWaalsContact C-N 3.26Å; A278-K280 PolarHBondContact O-N 2.91Å; A278-K281 WeakPolarHBondContact O-CB 3.48Å; A278-K281 PolarHBondContact O-N 3.48Å; A278-K281 VanDerWaalsContact O-N 3.16Å; A278-E282 WeakPolarHBondContact O-CB 3.34Å; A278-E282 PolarHBondContact O-N 3.09Å |
| 279 | A | 95.2 | Very high | 94.8 | Very high | 37 Ų | 37 | 82 Ų | 82 | 31% | 0.306 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.9 | -29.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | P226 K275 E277 Y283 | P226-A279 HydrophobicContact CB-CB 4Å; K275-A279 WeakPolarHBondContact O-CB 3.41Å; K275-A279 PolarHBondContact O-N 3.25Å; E277-A279 PolarHBondContact O-N 3.41Å; A279-Y283 VanDerWaalsContact O-CB 3.25Å; A279-Y283 WeakPolarHBondContact O-CB 3.4Å; A279-Y283 PolarHBondContact O-N 3.2Å |
| 280 | K | 94 | Very high | 94.5 | Very high | 124 Ų | 124 | 82.8 Ų | 82.8 | 54% | 0.539 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -70.8 | -41.4 | 172.8 | -175.6 | -175.4 | 175.5 | -172.6 | 0 | 112 | P226 T276 E277 A278 L284 | P226-K280 HydrophobicContact CG-CB 3.96Å; P226-K280 HydrophobicContact CG-CG 4.36Å; T276-K280 WeakPolarHBondContact O-CB 3.5Å; T276-K280 PolarHBondContact O-N 3.18Å; E277-K280 WeakPolarHBondContact O-CA 3.38Å; E277-K280 WeakPolarHBondContact O-CB 3.25Å; E277-K280 PolarHBondContact O-N 3.45Å; E277-K280 VanDerWaalsContact O-N 3.1Å; A278-K280 VanDerWaalsContact C-N 3.26Å; A278-K280 PolarHBondContact O-N 2.91Å; K280-L284 WeakPolarHBondContact O-CG 3.48Å; K280-L284 PolarHBondContact O-N 2.96Å; K280-L284 VanDerWaalsContact O-N 3.09Å |
| 281 | K | 95.3 | Very high | 94.2 | Very high | 165 Ų | 165 | 86 Ų | 86 | 72% | 0.717 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.9 | -41.5 | 174.6 | -172.9 | 174.6 | -178 | 174.4 | 0 | 111.4 | E277 A278 L284 K285 | E277-K281 PolarHBondContact O-N 3Å; A278-K281 WeakPolarHBondContact O-CB 3.48Å; A278-K281 PolarHBondContact O-N 3.48Å; A278-K281 VanDerWaalsContact O-N 3.16Å; K281-L284 PolarHBondContact O-N 3.26Å; K281-K285 PolarHBondContact O-N 2.88Å; K281-K285 VanDerWaalsContact O-N 3.08Å |
| 282 | E | 94.4 | Very high | 93.8 | Very high | 139 Ų | 139 | 88.2 Ų | 88.2 | 65% | 0.65 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.7 | -48 | 174.5 | -175.8 | 172.1 | -153.3 | 0 | 0 | 112.1 | A278 L284 K285 A286 | A278-E282 WeakPolarHBondContact O-CB 3.34Å; A278-E282 PolarHBondContact O-N 3.09Å; E282-L284 VanDerWaalsContact C-N 3.27Å; E282-L284 PolarHBondContact O-N 3.41Å; E282-K285 PolarHBondContact O-N 3.45Å; E282-K285 VanDerWaalsContact O-N 3.1Å; E282-A286 WeakPolarHBondContact O-CB 3.39Å; E282-A286 PolarHBondContact O-N 2.92Å |
| 283 | Y | 94.4 | Very high | 93.2 | Very high | 39 Ų | 39 | 90 Ų | 90 | 15% | 0.153 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -54.5 | -41.4 | 174 | 166.7 | -91.9 | 0 | 0 | 0 | 112.3 | P223 Q224 K225 A279 L287 | P223-Y283 HydrophobicContact CB-CD2 3.95Å; P223-Y283 HydrophobicContact CB-CE2 4.28Å; P223-Y283 HydrophobicContact CG-CD2 4.38Å; P223-Y283 HydrophobicContact CG-CE2 4.3Å; P223-Y283 VanDerWaalsContact O-CE2 3.3Å; P223-Y283 WeakPolarHBondContact O-CE2 3.49Å; Q224-Y283 WeakPolarHBondContact O-CD2 3.25Å; K225-Y283 HydrophobicContact CB-CE2 4.23Å; K225-Y283 VanDerWaalsContact CE-OH 3.26Å; K225-Y283 WeakPolarHBondContact CE-OH 3.32Å; K225-Y283 HydrophobicContact CG-CD2 4.32Å; K225-Y283 HydrophobicContact CG-CE1 4.44Å; K225-Y283 HydrophobicContact CG-CE2 3.51Å; A279-Y283 VanDerWaalsContact O-CB 3.25Å; A279-Y283 WeakPolarHBondContact O-CB 3.4Å; A279-Y283 PolarHBondContact O-N 3.2Å; Y283-L287 HydrophobicContact CE1-CD2 4.06Å; Y283-L287 WeakPolarHBondContact O-CB 3.5Å; Y283-L287 PolarHBondContact O-N 3.21Å |
| 284 | L | 93.5 | Very high | 92.4 | Very high | 99 Ų | 99 | 90.4 Ų | 90.4 | 52% | 0.518 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.6 | -40.7 | 177 | -70.5 | 171.4 | 0 | 0 | 0 | 112.4 | K280 K281 E282 L287 A288 | K280-L284 WeakPolarHBondContact O-CG 3.48Å; K280-L284 PolarHBondContact O-N 2.96Å; K280-L284 VanDerWaalsContact O-N 3.09Å; K281-L284 PolarHBondContact O-N 3.26Å; E282-L284 VanDerWaalsContact C-N 3.27Å; E282-L284 PolarHBondContact O-N 3.41Å; L284-L287 PolarHBondContact O-N 2.94Å; L284-A288 PolarHBondContact O-N 2.9Å; L284-A288 VanDerWaalsContact O-N 3.08Å |
| 285 | K | 94.6 | Very high | 91.3 | Very high | 170 Ų | 170 | 90.1 Ų | 90.1 | 74% | 0.739 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.2 | -47 | 173.9 | -174.2 | -168.4 | 175.8 | -166.6 | 0 | 111.2 | K281 E282 L287 A288 A289 | K281-K285 PolarHBondContact O-N 2.88Å; K281-K285 VanDerWaalsContact O-N 3.08Å; E282-K285 PolarHBondContact O-N 3.45Å; E282-K285 VanDerWaalsContact O-N 3.1Å; K285-L287 VanDerWaalsContact C-N 3.33Å; K285-L287 PolarHBondContact O-N 3.47Å; K285-A288 PolarHBondContact O-N 3.22Å; K285-A289 PolarHBondContact O-N 3.19Å |
| 286 | A | 93.2 | Very high | 90.1 | Very high | 39 Ų | 39 | 89.1 Ų | 89.1 | 32% | 0.322 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.6 | -33.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P223 E282 A289 Y290 | P223-A286 HydrophobicContact CB-CB 3.71Å; P223-A286 HydrophobicContact CG-CB 4.2Å; E282-A286 WeakPolarHBondContact O-CB 3.39Å; E282-A286 PolarHBondContact O-N 2.92Å; A286-A289 PolarHBondContact O-N 2.87Å; A286-Y290 VanDerWaalsContact O-CB 3.24Å; A286-Y290 WeakPolarHBondContact O-CB 3.29Å; A286-Y290 PolarHBondContact O-N 3.3Å |
| 287 | L | 90.7 | Very high | 88.2 | Confident | 50 Ų | 50 | 93.2 Ų | 93.2 | 26% | 0.262 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.7 | -33.4 | 175.3 | -174.5 | 66.9 | 0 | 0 | 0 | 112.4 | P223 Y283 L284 K285 K291 | P223-L287 HydrophobicContact CG-CB 4.1Å; P223-L287 HydrophobicContact CG-CD1 4.19Å; Y283-L287 HydrophobicContact CE1-CD2 4.06Å; Y283-L287 WeakPolarHBondContact O-CB 3.5Å; Y283-L287 PolarHBondContact O-N 3.21Å; L284-L287 PolarHBondContact O-N 2.94Å; K285-L287 VanDerWaalsContact C-N 3.33Å; K285-L287 PolarHBondContact O-N 3.47Å; L287-K291 WeakPolarHBondContact O-CG 3.33Å; L287-K291 PolarHBondContact O-N 3.34Å |
| 288 | A | 92.6 | Very high | 86.4 | Confident | 63 Ų | 63 | 90.2 Ų | 90.2 | 52% | 0.521 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.3 | -50.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L284 K285 Y290 K291 D292 | L284-A288 PolarHBondContact O-N 2.9Å; L284-A288 VanDerWaalsContact O-N 3.08Å; K285-A288 PolarHBondContact O-N 3.22Å; A288-Y290 VanDerWaalsContact C-N 3.32Å; A288-Y290 PolarHBondContact O-N 3.44Å; A288-K291 PolarHBondContact O-N 2.76Å; A288-D292 WeakPolarHBondContact O-CB 3.46Å; A288-D292 PolarHBondContact O-N 3.14Å |
| 289 | A | 91.2 | Very high | 84.4 | Confident | 47 Ų | 47 | 92 Ų | 92 | 39% | 0.388 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.8 | -37.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K285 A286 D292 N293 | K285-A289 PolarHBondContact O-N 3.19Å; A286-A289 PolarHBondContact O-N 2.87Å; A289-D292 PolarHBondContact O-N 3.28Å; A289-N293 WeakPolarHBondContact O-CB 3.17Å; A289-N293 PolarHBondContact O-N 2.8Å; A289-N293 PolarHBondContact O-ND2 3.32Å |
| 290 | Y | 89.9 | Confident | 82.5 | Confident | 54 Ų | 54 | 95.1 Ų | 95.1 | 21% | 0.212 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -66.6 | -35.6 | 176.5 | -178.2 | -92.3 | 0 | 0 | 0 | 112.5 | N221 E222 A286 A288 Q294 | N221-Y290 HydrophobicContact CB-CD2 4.46Å; N221-Y290 HydrophobicContact CB-CE2 4.12Å; N221-Y290 WeakPolarHBondContact O-CD2 3.16Å; E222-Y290 HydrophobicContact CB-CE2 4.46Å; A286-Y290 VanDerWaalsContact O-CB 3.24Å; A286-Y290 WeakPolarHBondContact O-CB 3.29Å; A286-Y290 PolarHBondContact O-N 3.3Å; A288-Y290 VanDerWaalsContact C-N 3.32Å; A288-Y290 PolarHBondContact O-N 3.44Å; Y290-Q294 HydrophobicContact CD1-CG 4.45Å; Y290-Q294 HydrophobicContact CE1-CG 3.96Å; Y290-Q294 WeakPolarHBondContact O-CG 3.4Å; Y290-Q294 PolarHBondContact O-N 3Å; Y290-Q294 VanDerWaalsContact O-N 3.11Å; Y290-Q294 PolarHBondContact OH-OE1 3.28Å |
| 291 | K | 88.4 | Confident | 80.6 | Confident | 138 Ų | 138 | 96.7 Ų | 96.7 | 60% | 0.6 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.2 | -48.2 | 173.2 | -76.1 | -179.1 | 171.6 | -162.8 | 0 | 111.7 | L287 A288 N293 Q294 E295 | L287-K291 WeakPolarHBondContact O-CG 3.33Å; L287-K291 PolarHBondContact O-N 3.34Å; A288-K291 PolarHBondContact O-N 2.76Å; K291-N293 VanDerWaalsContact C-N 3.33Å; K291-N293 PolarHBondContact O-N 3.08Å; K291-Q294 PolarHBondContact O-N 3.16Å; K291-Q294 VanDerWaalsContact O-N 3.16Å; K291-E295 PolarHBondContact O-N 3Å |
| 292 | D | 89.1 | Confident | 78.4 | Confident | 106 Ų | 106 | 94.7 Ų | 94.7 | 57% | 0.567 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -55.1 | -46.8 | 176.3 | -170.5 | 71.2 | 0 | 0 | 0 | 111.3 | A288 A289 Q294 E295 C296 | A288-D292 WeakPolarHBondContact O-CB 3.46Å; A288-D292 PolarHBondContact O-N 3.14Å; A289-D292 PolarHBondContact O-N 3.28Å; D292-Q294 PolarHBondContact O-N 3.37Å; D292-E295 PolarHBondContact O-N 3.34Å; D292-C296 PolarHBondContact O-N 2.96Å; D292-C296 VanDerWaalsContact O-N 3.15Å; D292-C296 PolarHBondContact O-SG 3.19Å |
| 293 | N | 83.7 | Confident | 76.5 | Confident | 79 Ų | 79 | 94 Ų | 94 | 42% | 0.422 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.4 | -27.7 | 177.7 | -82.4 | -106.2 | 0 | 0 | 0 | 114.1 | A289 K291 Q297 | A289-N293 WeakPolarHBondContact O-CB 3.17Å; A289-N293 PolarHBondContact O-N 2.8Å; A289-N293 PolarHBondContact O-ND2 3.32Å; K291-N293 VanDerWaalsContact C-N 3.33Å; K291-N293 PolarHBondContact O-N 3.08Å; N293-Q297 WeakPolarHBondContact O-CB 3.47Å; N293-Q297 WeakPolarHBondContact O-CG 3.3Å; N293-Q297 PolarHBondContact O-N 2.86Å |
| 294 | Q | 80.5 | Confident | 74.2 | Confident | 93 Ų | 93 | 100.6 Ų | 100.6 | 44% | 0.435 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.4 | -40.6 | 172.7 | -79.5 | -178.6 | 134.2 | 0 | 0 | 111.6 | Y290 K291 D292 C296 Q297 A298 | Y290-Q294 HydrophobicContact CD1-CG 4.45Å; Y290-Q294 HydrophobicContact CE1-CG 3.96Å; Y290-Q294 WeakPolarHBondContact O-CG 3.4Å; Y290-Q294 PolarHBondContact O-N 3Å; Y290-Q294 VanDerWaalsContact O-N 3.11Å; Y290-Q294 PolarHBondContact OH-OE1 3.28Å; K291-Q294 PolarHBondContact O-N 3.16Å; K291-Q294 VanDerWaalsContact O-N 3.16Å; D292-Q294 PolarHBondContact O-N 3.37Å; Q294-C296 VanDerWaalsContact C-N 3.33Å; Q294-C296 PolarHBondContact O-N 3.27Å; Q294-Q297 PolarHBondContact O-N 3.47Å; Q294-A298 WeakPolarHBondContact O-CB 3.26Å; Q294-A298 PolarHBondContact O-N 2.57Å |
| 295 | E | 73.5 | Confident | 72.1 | Confident | 141 Ų | 141 | 103.5 Ų | 103.5 | 66% | 0.659 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.8 | -41.9 | 177 | -163.1 | 74.2 | 174.2 | 0 | 0 | 111 | K291 D292 Q297 T299 | K291-E295 PolarHBondContact O-N 3Å; D292-E295 PolarHBondContact O-N 3.34Å; E295-Q297 PolarHBondContact O-N 3.48Å; E295-T299 PolarHBondContact O-N 2.67Å; E295-T299 PolarHBondContact O-OG1 2.9Å |
| 296 | C | 68.8 | Low | 70.1 | Confident | 72 Ų | 72 | 102 Ų | 102 | 49% | 0.486 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70 | -25.3 | 174.3 | -63.6 | 0 | 0 | 0 | 0 | 114 | D292 Q294 T299 V300 | D292-C296 PolarHBondContact O-N 2.96Å; D292-C296 VanDerWaalsContact O-N 3.15Å; D292-C296 PolarHBondContact O-SG 3.19Å; Q294-C296 VanDerWaalsContact C-N 3.33Å; Q294-C296 PolarHBondContact O-N 3.27Å; C296-T299 PolarHBondContact O-OG1 3.38Å; C296-V300 VanDerWaalsContact O-CG2 3.27Å; C296-V300 WeakPolarHBondContact O-CG2 3.37Å |
| 297 | Q | 57.3 | Low | 68 | Low | 112 Ų | 112 | 105.5 Ų | 105.5 | 52% | 0.523 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -78.7 | -42.1 | 173.5 | -79.8 | -179.5 | 6.6 | 0 | 0 | 111.9 | N293 Q294 E295 T299 V300 E301 | N293-Q297 WeakPolarHBondContact O-CB 3.47Å; N293-Q297 WeakPolarHBondContact O-CG 3.3Å; N293-Q297 PolarHBondContact O-N 2.86Å; Q294-Q297 PolarHBondContact O-N 3.47Å; E295-Q297 PolarHBondContact O-N 3.48Å; Q297-T299 PolarHBondContact O-N 2.76Å; Q297-T299 VanDerWaalsContact O-N 3.1Å; Q297-V300 PolarHBondContact O-N 3.45Å; Q297-E301 PolarHBondContact O-N 3.21Å |
| 298 | A | 58.1 | Low | 66.1 | Low | 68 Ų | 68 | 108.7 Ų | 108.7 | 56% | 0.562 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -58.2 | -25.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q294 | Q294-A298 WeakPolarHBondContact O-CB 3.26Å; Q294-A298 PolarHBondContact O-N 2.57Å |
| 299 | T | 53.6 | Low | 63.9 | Low | 98 Ų | 98 | 111.4 Ų | 111.4 | 60% | 0.601 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -10.6 | 178.6 | 41.8 | 0 | 0 | 0 | 0 | 114.7 | E295 C296 Q297 | E295-T299 PolarHBondContact O-N 2.67Å; E295-T299 PolarHBondContact O-OG1 2.9Å; C296-T299 PolarHBondContact O-OG1 3.38Å; Q297-T299 PolarHBondContact O-N 2.76Å; Q297-T299 VanDerWaalsContact O-N 3.1Å |
| 300 | V | 56.7 | Low | 61.4 | Low | 101 Ų | 101 | 118.1 Ų | 118.1 | 61% | 0.612 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -35.3 | -178.4 | 173.6 | 0 | 0 | 0 | 0 | 112.3 | C296 Q297 T302 V303 | C296-V300 VanDerWaalsContact O-CG2 3.27Å; C296-V300 WeakPolarHBondContact O-CG2 3.37Å; Q297-V300 PolarHBondContact O-N 3.45Å; V300-T302 PolarHBondContact O-N 3.2Å; V300-V303 PolarHBondContact O-N 2.77Å |
| 301 | E | 54.2 | Low | 59.2 | Low | 158 Ų | 158 | 120.2 Ų | 120.2 | 74% | 0.738 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -6 | -175.7 | -153.1 | 168.4 | 122.3 | 0 | 0 | 114.1 | Q297 | Q297-E301 PolarHBondContact O-N 3.21Š|
| 302 | T | 48.5 | Very low | 57.3 | Low | 122 Ų | 122 | 121.9 Ų | 121.9 | 75% | 0.748 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -6 | 178 | -55.5 | 0 | 0 | 0 | 0 | 114.2 | V300 | V300-T302 PolarHBondContact O-N 3.2Š|
| 303 | V | 53.3 | Low | 54.8 | Low | 125 Ų | 125 | 123.2 Ų | 123.2 | 76% | 0.758 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -117.4 | 2 | -169.7 | -163.5 | 0 | 0 | 0 | 0 | 114.1 | V300 | V300-V303 PolarHBondContact O-N 2.77Š|
| 304 | E | 47.2 | Very low | 52.6 | Low | 178 Ų | 178 | 125.2 Ų | 125.2 | 83% | 0.832 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -126.4 | 49.4 | -177 | -161 | 158.6 | 80.4 | 0 | 0 | 113.5 | ||
| 305 | L | 49.2 | Very low | 50.9 | Low | 159 Ų | 159 | 126.5 Ų | 126.5 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | trans | -138.3 | 66.1 | 174.7 | -71.9 | 177.6 | 0 | 0 | 0 | 112.9 | P307 | L305-P307 WeakPolarHBondContact O-CD 3.07Š| ||
| 306 | D | 51.9 | Low | 49.9 | Very low | 139 Ų | 139 | 125.6 Ų | 125.6 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | -110.1 | 100.6 | 162.4 | -167.6 | -79.8 | 0 | 0 | 0 | 110.9 | V308 | D306-V308 PolarHBondContact O-N 3.42Š| ||
| 307 | P | 50 | Low | 49.6 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | trans | -88.9 | 85.3 | -179.9 | 33.7 | -33.1 | 0 | 0 | 0 | 111.6 | L305 P309 | L305-P307 WeakPolarHBondContact O-CD 3.07Å; P307-P309 VanDerWaalsContact O-CD 3.3Å; P307-P309 WeakPolarHBondContact O-CD 3.17Å | ||
| 308 | V | 51.5 | Low | 49.1 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 70% | 0.703 | 75% | 0.748 | S | S | * | * | trans | -51 | 118 | 179.2 | 179.2 | 0 | 0 | 0 | 0 | 112.6 | D306 | D306-V308 PolarHBondContact O-N 3.42Š| ||
| 309 | P | 46.5 | Very low | 48.9 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | trans | -72.6 | 142.9 | -179 | -20.7 | 34 | 0 | 0 | 0 | 114.4 | P307 | P307-P309 VanDerWaalsContact O-CD 3.3Å; P307-P309 WeakPolarHBondContact O-CD 3.17Å | ||
| 310 | Q | 38.5 | Very low | 48.5 | Very low | 188 Ų | 188 | 131.3 Ų | 131.3 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | -87 | 111.6 | 177.5 | -64.2 | 178.9 | -8.1 | 0 | 0 | 112.6 | ||||
| 311 | S | 43 | Very low | 47.9 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | trans | -169.4 | 128.2 | 151.3 | -96 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 312 | Q | 47.4 | Very low | 47.5 | Very low | 173 Ų | 173 | 129.2 Ų | 129.2 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | trans | 68.2 | 82.7 | 134.8 | -61.6 | 172.4 | 81.3 | 0 | 0 | 120.1 | ||||
| 313 | T | 37.3 | Very low | 47.5 | Very low | 135 Ų | 135 | 131.1 Ų | 131.1 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | 36.8 | 114.7 | 126 | -40.3 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 314 | P | 38.3 | Very low | 47.3 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -95 | 165.2 | 175.3 | 37.8 | -35.3 | 0 | 0 | 0 | 114.7 | ||||
| 315 | S | 43.9 | Very low | 47.2 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -155.8 | 156.6 | 160.5 | -82.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 316 | P | 52.8 | Low | 47.2 | Very low | 122 Ų | 122 | 125.2 Ų | 125.2 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | -101.5 | 166.7 | -147.5 | 37.9 | -36.2 | 0 | 0 | 0 | 117.2 | ||||
| 317 | P | 61.6 | Low | 47.1 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -99.4 | 179.7 | -171.6 | 40.9 | -38.2 | 0 | 0 | 0 | 114.5 | ||||
| 318 | P | 48.1 | Very low | 46.7 | Very low | 105 Ų | 105 | 122.8 Ų | 122.8 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | trans | -146.1 | 141.3 | 135.2 | 37.4 | -21.7 | 0 | 0 | 0 | 117.1 | ||||
| 319 | V | 53.2 | Low | 46.7 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | 61.2 | 157.7 | 146.5 | -52.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 320 | T | 45.2 | Very low | 46.5 | Very low | 115 Ų | 115 | 121.7 Ų | 121.7 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | cis | -157.6 | 159.3 | 5.2 | -13 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 321 | T | 43.5 | Very low | 46.8 | Very low | 133 Ų | 133 | 117.7 Ų | 117.7 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | trans | 66.7 | 140.8 | 146 | -56.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 322 | A | 46.7 | Very low | 46.7 | Very low | 82 Ų | 82 | 118.8 Ų | 118.8 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | cis | -169.9 | -178 | -23.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 323 | D | 49.5 | Very low | 46.6 | Very low | 162 Ų | 162 | 119.3 Ų | 119.3 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | 106 | 112.6 | 163.2 | -89.8 | -69 | 0 | 0 | 0 | 120.4 | ||||
| 324 | P | 48.1 | Very low | 46.6 | Very low | 124 Ų | 124 | 117.8 Ų | 117.8 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | -133.8 | 133.1 | 171.7 | 38.4 | -21.8 | 0 | 0 | 0 | 116.6 | ||||
| 325 | A | 46.1 | Very low | 47 | Very low | 102 Ų | 102 | 117.6 Ų | 117.6 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | -165.8 | 161.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 326 | S | 48.4 | Very low | 46.8 | Very low | 111 Ų | 111 | 116.1 Ų | 116.1 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | cis | 167.2 | 173.6 | -22.3 | -134.7 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 327 | P | 49.7 | Very low | 46.4 | Very low | 110 Ų | 110 | 118.3 Ų | 118.3 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | -137.3 | 172.3 | -113.1 | 40.7 | -21.6 | 0 | 0 | 0 | 119 | |||||
| 328 | A | 41.1 | Very low | 45.7 | Very low | 91 Ų | 91 | 117.7 Ų | 117.7 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | 69.5 | 176.4 | 145.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 329 | P | 51 | Low | 45.4 | Very low | 123 Ų | 123 | 118.5 Ų | 118.5 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | cis | -137.2 | -164.4 | -49 | 37.9 | -20.5 | 0 | 0 | 0 | 115 | ||||
| 330 | A | 43.5 | Very low | 44.9 | Very low | 90 Ų | 90 | 118 Ų | 118 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | trans | 85.8 | 152.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 331 | S | 44.1 | Very low | 44.7 | Very low | 105 Ų | 105 | 119.9 Ų | 119.9 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | cis | -149.6 | 160.7 | 15.5 | -62 | 0 | 0 | 0 | 0 | 114 | ||||
| 332 | T | 40.4 | Very low | 44.5 | Very low | 120 Ų | 120 | 119.6 Ų | 119.6 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | 31.2 | 138.8 | 133.9 | -40.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 333 | E | 45.3 | Very low | 44.2 | Very low | 184 Ų | 184 | 121.9 Ų | 121.9 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | cis | -155.5 | -173.3 | 40.4 | -151.7 | 149.8 | 74.1 | 0 | 0 | 115.1 | ||||
| 334 | S | 37.9 | Very low | 43.5 | Very low | 104 Ų | 104 | 120.9 Ų | 120.9 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -128.6 | -169.7 | 177.8 | -131.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 335 | P | 47.8 | Very low | 43 | Very low | 116 Ų | 116 | 121.1 Ų | 121.1 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | cis | -153.4 | 161.1 | 29.1 | 44.2 | -22 | 0 | 0 | 0 | 121.4 | ||||
| 336 | A | 38.5 | Very low | 42.7 | Very low | 89 Ų | 89 | 122 Ų | 122 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | 64.8 | 170.6 | 132.2 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 337 | L | 43.8 | Very low | 42.2 | Very low | 167 Ų | 167 | 124.6 Ų | 124.6 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | 80.6 | 124.5 | -179.4 | -52.3 | -176.4 | 0 | 0 | 0 | 115.6 | ||||
| 338 | S | 47.5 | Very low | 41.7 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | cis | -150.8 | 164 | -1.2 | -78 | 0 | 0 | 0 | 0 | 112 | ||||
| 339 | P | 42.5 | Very low | 41.4 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | trans | -122.1 | 157.1 | -165.1 | 40.8 | -28.9 | 0 | 0 | 0 | 117.6 | ||||
| 340 | C | 41.3 | Very low | 40.7 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -155.7 | 114.1 | 157.8 | 43.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 341 | I | 42.1 | Very low | 40.4 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | 7.7 | 146.2 | 131.5 | 7.1 | 178.8 | 0 | 0 | 0 | 118.1 | ||||
| 342 | V | 40.1 | Very low | 40.2 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | cis | -156.4 | 161.9 | 32.6 | -146.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 343 | V | 39.8 | Very low | 40 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 71 | 106 | 161.3 | -166.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 344 | N | 34.1 | Very low | 39.7 | Very low | 141 Ų | 141 | 133 Ų | 133 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | -83.1 | 155.7 | 158.5 | -87.4 | -13 | 0 | 0 | 0 | 112.1 | ||||
| 345 | S | 37.7 | Very low | 39.6 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | -154.1 | 41.8 | 139.8 | -80.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 346 | T | 39.4 | Very low | 39 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -92 | 121.1 | 166.1 | -55.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 347 | L | 39.3 | Very low | 39.1 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -153.6 | 63.8 | 169.1 | -126.1 | 174.6 | 0 | 0 | 0 | 112.9 | ||||
| 348 | S | 38.6 | Very low | 38.8 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | -73 | 128.6 | 159.4 | -68.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 349 | S | 34.4 | Very low | 38.5 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | 42.6 | 105.3 | 152 | 59.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 350 | Y | 36.5 | Very low | 38.1 | Very low | 225 Ų | 225 | 132.7 Ų | 132.7 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | -135.2 | 135.6 | 138 | -140.1 | -91.9 | 0 | 0 | 0 | 110.5 | ||||
| 351 | V | 38 | Very low | 37.8 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 76% | 0.758 | 81% | 0.806 | S | S | * | * | trans | -106.1 | 124 | -177.1 | 177.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 352 | A | 39.3 | Very low | 37.5 | Very low | 93 Ų | 93 | 132 Ų | 132 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -138.6 | 124.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 353 | N | 35.8 | Very low | 37.5 | Very low | 148 Ų | 148 | 131.3 Ų | 131.3 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -74.6 | 143.8 | -179.2 | -67.3 | -76.1 | 0 | 0 | 0 | 111.6 | ||||
| 354 | Q | 40.1 | Very low | 37.4 | Very low | 203 Ų | 203 | 131.9 Ų | 131.9 | 95% | 0.949 | 81% | 0.805 | S | S | * | * | -152.1 | 148.5 | 126.6 | -112.3 | 169 | 111.9 | 0 | 0 | 109.9 | |||||
| 355 | A | 34.9 | Very low | 37.6 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -102.2 | 143.9 | -162.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 356 | F | 35.3 | Very low | 37.9 | Very low | 205 Ų | 205 | 132.2 Ų | 132.2 | 90% | 0.899 | 80% | 0.8 | S | S | * | * | trans | -146.2 | 163 | 141.8 | -137.1 | -98.4 | 0 | 0 | 0 | 110.9 | ||||
| 357 | S | 41.7 | Very low | 38 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -102.5 | 139.6 | -159.6 | 47.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 358 | G | 37.3 | Very low | 38 | Very low | 72 Ų | 72 | 135 Ų | 135 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | 167.3 | 133.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 359 | P | 39.7 | Very low | 38.1 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -98.5 | 142.5 | -167 | 35.7 | -34.2 | 0 | 0 | 0 | 115.3 | ||||
| 360 | G | 35 | Very low | 38.6 | Very low | 78 Ų | 78 | 139.7 Ų | 139.7 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 134.4 | 107.1 | 149.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 361 | G | 35.3 | Very low | 39.2 | Very low | 80 Ų | 80 | 135.1 Ų | 135.1 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | 74.2 | 92 | 148.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 362 | Q | 35.9 | Very low | 39.6 | Very low | 183 Ų | 183 | 139.1 Ų | 139.1 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -76.9 | 139.3 | 167.3 | -96.8 | -88.4 | -5.1 | 0 | 0 | 112.3 | ||||
| 363 | P | 39 | Very low | 39.6 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | trans | -81.4 | 149.2 | 175.2 | 33 | -36 | 0 | 0 | 0 | 113.2 | ||||
| 364 | N | 37.6 | Very low | 39.8 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 77% | 0.765 | 82% | 0.815 | S | S | * | * | trans | -108.7 | 106 | 176.3 | -162.1 | -81.2 | 0 | 0 | 0 | 112.7 | ||||
| 365 | I | 39.9 | Very low | 39.9 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | trans | 32.1 | 88.9 | 147.9 | -45.3 | -179.5 | 0 | 0 | 0 | 117.2 | ||||
| 366 | T | 42.8 | Very low | 40.1 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 133.6 | 160.2 | -55.6 | 0 | 0 | 0 | 0 | 110.4 | L368 | T366-L368 PolarHBondContact O-N 3Š|
| 367 | K | 41.1 | Very low | 40.1 | Very low | 187 Ų | 187 | 138.6 Ų | 138.6 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 127.8 | 172.9 | -71.7 | -179.6 | 176.5 | 177.2 | 0 | 110.8 | I369 | K367-I369 PolarHBondContact O-N 3.43Š|
| 368 | L | 39.3 | Very low | 40 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 120.4 | 173.6 | -94.5 | 74 | 0 | 0 | 0 | 110.9 | T366 | T366-L368 PolarHBondContact O-N 3Š|
| 369 | I | 42.3 | Very low | 39.9 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | -92.6 | 111.6 | 161.7 | -64.8 | 172.8 | 0 | 0 | 0 | 107 | K367 T371 | K367-I369 PolarHBondContact O-N 3.43Å; I369-T371 PolarHBondContact O-N 3.44Å; I369-T371 VanDerWaalsContact O-N 3.15Å | ||
| 370 | I | 43.1 | Very low | 39.9 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -81.8 | 93.1 | 178.4 | -58.3 | 176.1 | 0 | 0 | 0 | 108.9 | K372 | I370-K372 PolarHBondContact O-N 3.02Š| ||
| 371 | T | 49.3 | Very low | 40 | Very low | 129 Ų | 129 | 147.6 Ų | 147.6 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 125.1 | 168.1 | 3 | 0 | 0 | 0 | 0 | 109.8 | I369 Q373 | I369-T371 PolarHBondContact O-N 3.44Å; I369-T371 VanDerWaalsContact O-N 3.15Å; T371-Q373 PolarHBondContact O-N 3.46Å |
| 372 | K | 46.5 | Very low | 40.2 | Very low | 208 Ų | 208 | 149.5 Ų | 149.5 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 125.4 | -178.3 | -149 | -176.9 | -175.5 | -170.1 | 0 | 110.6 | I370 | I370-K372 PolarHBondContact O-N 3.02Š|
| 373 | Q | 40.1 | Very low | 40.5 | Very low | 171 Ų | 171 | 150 Ų | 150 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 148.6 | -176.8 | -166.3 | -168.5 | 56.9 | 0 | 0 | 112.7 | T371 | T371-Q373 PolarHBondContact O-N 3.46Š|
| 374 | M | 40.5 | Very low | 40.5 | Very low | 175 Ų | 175 | 148.8 Ų | 148.8 | 86% | 0.862 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 148.6 | 166.6 | -84.2 | -171.7 | 158.7 | 0 | 0 | 112.4 | ||
| 375 | L | 40.8 | Very low | 40.4 | Very low | 150 Ų | 150 | 145.8 Ų | 145.8 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | -112.5 | 155.8 | 153.1 | -98 | 78.3 | 0 | 0 | 0 | 109.8 | ||||
| 376 | P | 39.4 | Very low | 40.3 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 80% | 0.799 | 83% | 0.831 | S | S | * | * | trans | -89.7 | 171 | -159.1 | 35.7 | -38.1 | 0 | 0 | 0 | 115.6 | ||||
| 377 | S | 35 | Very low | 40 | Very low | 115 Ų | 115 | 148 Ų | 148 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -65.1 | 144 | -178.4 | -44.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 378 | S | 39.4 | Very low | 40.1 | Very low | 127 Ų | 127 | 145 Ų | 145 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | trans | -125.8 | 136 | 153.4 | -76.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 379 | I | 36.8 | Very low | 40.1 | Very low | 156 Ų | 156 | 143.6 Ų | 143.6 | 80% | 0.8 | 83% | 0.828 | S | S | * | * | trans | -103 | 133.3 | -174.3 | -61 | 164.4 | 0 | 0 | 0 | 109.5 | ||||
| 380 | T | 38.2 | Very low | 40.3 | Very low | 140 Ų | 140 | 143.1 Ų | 143.1 | 86% | 0.859 | 83% | 0.825 | S | S | * | * | trans | -146.8 | 148 | 153 | -69.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 381 | M | 37.8 | Very low | 40.6 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 80% | 0.803 | 82% | 0.823 | S | S | * | * | trans | -83.2 | 149.3 | -170 | -59.3 | 168.9 | 63.2 | 0 | 0 | 113.9 | ||||
| 382 | S | 39.4 | Very low | 40.2 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | -163.8 | 132.2 | 118.1 | -85.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 383 | Q | 41.4 | Very low | 40.1 | Very low | 194 Ų | 194 | 136 Ų | 136 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | trans | -1.9 | 132.6 | 164.8 | -51.3 | 179.3 | 24.7 | 0 | 0 | 120.6 | ||||
| 384 | G | 38.9 | Very low | 40.2 | Very low | 85 Ų | 85 | 134 Ų | 134 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | trans | 119 | 108.8 | 145.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 385 | G | 37.4 | Very low | 40.1 | Very low | 80 Ų | 80 | 132 Ų | 132 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | 109 | 95.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 386 | M | 36.4 | Very low | 40 | Very low | 189 Ų | 189 | 130.6 Ų | 130.6 | 93% | 0.931 | 81% | 0.813 | S | S | * | * | trans | -97.7 | 114.5 | 178.7 | 58.9 | -164.7 | -179.8 | 0 | 0 | 111.4 | ||||
| 387 | V | 37.6 | Very low | 40.1 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | -132.6 | 111.5 | 170.5 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 388 | T | 42 | Very low | 40.4 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | trans | -82.3 | 123.7 | -179.9 | -54 | 0 | 0 | 0 | 0 | 110.3 | I390 | T388-I390 HydrophobicContact CG2-CG1 3.98Š| ||
| 389 | V | 40.4 | Very low | 40.4 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 78% | 0.782 | 81% | 0.813 | S | S | * | * | trans | -110 | 116.1 | 169.7 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 390 | I | 46.4 | Very low | 40.8 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 73% | 0.728 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 116.9 | 179.4 | -55.4 | 176.9 | 0 | 0 | 0 | 108.7 | T388 A392 | T388-I390 HydrophobicContact CG2-CG1 3.98Å; I390-A392 PolarHBondContact O-N 3.39Å |
| 391 | P | 47.9 | Very low | 40.8 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 120.9 | 166.9 | 29.7 | -31.3 | 0 | 0 | 0 | 109.4 | ||
| 392 | A | 41.6 | Very low | 40.9 | Very low | 100 Ų | 100 | 137 Ų | 137 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 140.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I390 | I390-A392 PolarHBondContact O-N 3.39Š|
| 393 | T | 45.2 | Very low | 40.8 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 145.6 | -176.6 | 43.8 | 0 | 0 | 0 | 0 | 112.8 | V395 | T393-V395 PolarHBondContact O-N 2.81Š|
| 394 | V | 42.3 | Very low | 40.6 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 79% | 0.788 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 119 | 171.9 | 177.6 | 0 | 0 | 0 | 0 | 109.4 | T396 | V394-T396 PolarHBondContact O-N 3.12Š|
| 395 | V | 37.8 | Very low | 40.6 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | trans | -86 | 96 | 173.9 | 178 | 0 | 0 | 0 | 0 | 109.6 | T393 | T393-V395 PolarHBondContact O-N 2.81Š| ||
| 396 | T | 39 | Very low | 40.7 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | trans | -82.2 | 118.9 | 167.3 | -58.9 | 0 | 0 | 0 | 0 | 109.7 | V394 R398 | V394-T396 PolarHBondContact O-N 3.12Å; T396-R398 PolarHBondContact O-N 2.82Å | ||
| 397 | S | 41 | Very low | 40.6 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -72.6 | 105.6 | 179.1 | 39.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 398 | R | 42.4 | Very low | 40.7 | Very low | 240 Ų | 240 | 135 Ų | 135 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -83.9 | 118.8 | 164 | -97.9 | -178 | 167.6 | 153.4 | -2.9 | 110.1 | T396 | T396-R398 PolarHBondContact O-N 2.82Š| ||
| 399 | G | 39.3 | Very low | 40.5 | Very low | 76 Ų | 76 | 135.2 Ų | 135.2 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | -76.6 | 142.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 400 | L | 43.8 | Very low | 40.6 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -133.7 | 133.9 | 164.7 | -92.9 | 168.9 | 0 | 0 | 0 | 108.6 | ||||
| 401 | Q | 39.8 | Very low | 40.4 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 84% | 0.836 | 82% | 0.819 | S | S | * | * | trans | -83.3 | 147.6 | 174.8 | -54.1 | 175.8 | 35.5 | 0 | 0 | 110.2 | ||||
| 402 | L | 39.1 | Very low | 40.2 | Very low | 173 Ų | 173 | 137.8 Ų | 137.8 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | -175.9 | 156.9 | 126.3 | -122.7 | 68.3 | 0 | 0 | 0 | 111.7 | |||||
| 403 | G | 37.4 | Very low | 40.3 | Very low | 64 Ų | 64 | 138.8 Ų | 138.8 | 66% | 0.66 | 82% | 0.817 | S | S | * | * | trans | 66.7 | 89.1 | 163 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 404 | Q | 37.5 | Very low | 40.2 | Very low | 185 Ų | 185 | 141.6 Ų | 141.6 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | 48.4 | 108.7 | 80.1 | -55.8 | -175.3 | 30.2 | 0 | 0 | 115.5 | |||||
| 405 | T | 38.5 | Very low | 40.2 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 91% | 0.908 | 83% | 0.825 | S | S | * | * | -171.8 | 157.7 | 114.4 | 20.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 406 | S | 39.7 | Very low | 40.4 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -74 | 146.7 | -161.6 | -45.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 407 | T | 33 | Very low | 40.7 | Very low | 145 Ų | 145 | 144.9 Ų | 144.9 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | trans | -75.6 | 144.8 | 158.1 | 39.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 408 | A | 41.4 | Very low | 41.1 | Very low | 100 Ų | 100 | 147.4 Ų | 147.4 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | trans | -141.4 | 127.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 409 | T | 36.1 | Very low | 41.1 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 78% | 0.779 | 82% | 0.824 | S | S | * | * | trans | -37.1 | 141.6 | 174.2 | -50.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 410 | I | 43.2 | Very low | 41.4 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 82% | 0.815 | 83% | 0.826 | S | S | * | * | trans | 174.6 | 106.4 | 136.8 | -91.3 | 151.7 | 0 | 0 | 0 | 107.2 | ||||
| 411 | Q | 41.9 | Very low | 41.5 | Very low | 175 Ų | 175 | 146 Ų | 146 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | 77.3 | 144.5 | 85.8 | -88.5 | -105.5 | 5.9 | 0 | 0 | 115.2 | |||||
| 412 | P | 45.1 | Very low | 41.6 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 68% | 0.682 | 82% | 0.818 | S | S | * | * | trans | -121.4 | 179.1 | -148.2 | 42.8 | -30.5 | 0 | 0 | 0 | 115.9 | ||||
| 413 | S | 42.7 | Very low | 41.6 | Very low | 120 Ų | 120 | 140 Ų | 140 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -154.4 | 157.8 | 159.3 | -86.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 414 | Q | 44.3 | Very low | 41.9 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | trans | -68.9 | 164.4 | -170.3 | -59.4 | 163 | 72.8 | 0 | 0 | 112.4 | ||||
| 415 | Q | 41.6 | Very low | 41.9 | Very low | 182 Ų | 182 | 145.1 Ų | 145.1 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | -178.2 | 158 | 69 | -172.9 | 172.1 | 29.1 | 0 | 0 | 112.8 | |||||
| 416 | A | 41.4 | Very low | 41.9 | Very low | 84 Ų | 84 | 142.2 Ų | 142.2 | 69% | 0.694 | 81% | 0.813 | S | S | * | * | trans | 57.3 | 106.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 417 | Q | 45.6 | Very low | 41.7 | Very low | 186 Ų | 186 | 141.6 Ų | 141.6 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | 69.2 | 114 | 66.3 | -67.7 | -171.5 | -0.4 | 0 | 0 | 116.4 | |||||
| 418 | I | 49.4 | Very low | 41.9 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | -174.5 | 148.2 | 117.7 | -96.2 | 160.7 | 0 | 0 | 0 | 111.1 | |||||
| 419 | A | 42.9 | Very low | 41.5 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | 58.7 | 108.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 420 | T | 45.5 | Very low | 41.6 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 83% | 0.828 | 82% | 0.822 | S | S | * | * | trans | -128 | 134.3 | 171.1 | -41.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 421 | R | 45.6 | Very low | 41.5 | Very low | 228 Ų | 228 | 136.3 Ų | 136.3 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | 176.7 | 129.6 | 145.5 | -99 | 162.7 | 164.5 | 133.8 | -1.2 | 108.5 | ||||
| 422 | S | 42.1 | Very low | 41.5 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | 63.5 | 135.7 | 73.5 | -44 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 423 | V | 39.1 | Very low | 41.5 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 76% | 0.758 | 83% | 0.825 | S | S | * | * | cis | -147.4 | 139.7 | 39.7 | 166.8 | 0 | 0 | 0 | 0 | 111.9 | Q425 | V423-Q425 HydrophobicContact CG1-CB 4.36Š| ||
| 424 | L | 43.6 | Very low | 41.7 | Very low | 173 Ų | 173 | 134.8 Ų | 134.8 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | trans | -89.7 | 129.1 | 149 | -118.8 | 93.1 | 0 | 0 | 0 | 107 | ||||
| 425 | Q | 37.4 | Very low | 41.6 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | 157.2 | 164.7 | 156.9 | -175.6 | 160.6 | 5.5 | 0 | 0 | 110.9 | V423 | V423-Q425 HydrophobicContact CG1-CB 4.36Š| ||
| 426 | A | 37.9 | Very low | 41.7 | Very low | 87 Ų | 87 | 134 Ų | 134 | 72% | 0.719 | 82% | 0.824 | S | S | * | * | trans | 70.2 | 113.6 | -163.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 427 | A | 36.6 | Very low | 42.5 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 87% | 0.868 | 83% | 0.826 | S | S | * | * | cis | 73.9 | 143.6 | 30.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 428 | A | 35.9 | Very low | 43.2 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | trans | -80.7 | 123.6 | -158.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 429 | A | 34.3 | Very low | 43.4 | Very low | 104 Ų | 104 | 130 Ų | 130 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -170.6 | 83.6 | 155.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 430 | A | 38.6 | Very low | 43.3 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | trans | -153.2 | 35.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 431 | A | 40.9 | Very low | 43.6 | Very low | 100 Ų | 100 | 138 Ų | 138 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | trans | -81.1 | 140.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 432 | A | 41.7 | Very low | 43.7 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | S | Bend | trans | 57.7 | 95.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 433 | S | 45.1 | Very low | 44.6 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -178.7 | 136.2 | 135.9 | -85.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 434 | M | 45.5 | Very low | 45.8 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 81% | 0.808 | 82% | 0.818 | S | S | * | * | trans | 44.5 | 91.3 | 158.8 | -47.2 | -49.6 | 143.4 | 0 | 0 | 117.3 | ||||
| 435 | Q | 42.1 | Very low | 46.5 | Very low | 183 Ų | 183 | 132.4 Ų | 132.4 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | 66 | 89.5 | 62.4 | -163.2 | 172.7 | -11.2 | 0 | 0 | 114.9 | |||||
| 436 | L | 45.5 | Very low | 47 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | trans | -139 | 143.3 | 152.3 | -94.9 | 126.6 | 0 | 0 | 0 | 108.4 | ||||
| 437 | P | 57.2 | Low | 47.6 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 156.5 | -164.4 | 34.1 | -36.5 | 0 | 0 | 0 | 114.5 | ||
| 438 | P | 59.6 | Low | 48.3 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 71% | 0.714 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -75 | 156.5 | 172.4 | 32.7 | -35.8 | 0 | 0 | 0 | 112.5 | R440 | P438-R440 PolarHBondContact O-N 2.91Š|
| 439 | P | 53.3 | Low | 49.2 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 131.1 | 174 | 28.9 | -34.4 | 0 | 0 | 0 | 110.9 | ||
| 440 | R | 42.7 | Very low | 50.5 | Low | 228 Ų | 228 | 143.9 Ų | 143.9 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -96.2 | 106.1 | -176.4 | -165 | 180 | -167.6 | 179.6 | 4.7 | 111.5 | P438 | P438-R440 PolarHBondContact O-N 2.91Š| ||
| 441 | L | 50 | Low | 51.1 | Low | 173 Ų | 173 | 146.9 Ų | 146.9 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | trans | -84.3 | 138.2 | 160.5 | -73.4 | 166.1 | 0 | 0 | 0 | 109.3 | ||||
| 442 | Q | 49.6 | Very low | 51.7 | Low | 169 Ų | 169 | 147.1 Ų | 147.1 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -110.8 | 137.8 | -168.4 | -173.3 | 175.5 | -48.2 | 0 | 0 | 111 | ||||
| 443 | P | 60.5 | Low | 52.8 | Low | 102 Ų | 102 | 148.9 Ų | 148.9 | 66% | 0.662 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 157.3 | 176.3 | 30 | -36.1 | 0 | 0 | 0 | 112.3 | ||
| 444 | P | 63.2 | Low | 52.7 | Low | 116 Ų | 116 | 149.9 Ų | 149.9 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67 | 150.2 | 175.6 | 29.3 | -35.6 | 0 | 0 | 0 | 111.7 | ||
| 445 | P | 58.6 | Low | 52.7 | Low | 125 Ų | 125 | 150.6 Ų | 150.6 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 136.1 | 177.2 | 30.2 | -34.1 | 0 | 0 | 0 | 111.5 | Q447 | P445-Q447 PolarHBondContact O-N 2.73Š|
| 446 | L | 48.3 | Very low | 52.8 | Low | 171 Ų | 171 | 151.4 Ų | 151.4 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -69 | 124.2 | 164.8 | -68.1 | 173.2 | 0 | 0 | 0 | 109 | Q448 | L446-Q448 PolarHBondContact O-N 3.24Š|
| 447 | Q | 50.1 | Low | 52.7 | Low | 201 Ų | 201 | 152 Ų | 152 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 124.2 | 169.1 | -75.6 | -170.6 | 78.8 | 0 | 0 | 109.5 | P445 | P445-Q447 PolarHBondContact O-N 2.73Š|
| 448 | Q | 51.9 | Low | 52.3 | Low | 178 Ų | 178 | 153 Ų | 153 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 138.4 | -175.8 | -164.7 | 168.9 | 15.9 | 0 | 0 | 111.2 | L446 | L446-Q448 PolarHBondContact O-N 3.24Š|
| 449 | M | 54 | Low | 51.4 | Low | 161 Ų | 161 | 153.3 Ų | 153.3 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 138.3 | 179.8 | -170.6 | -176.3 | -57.7 | 0 | 0 | 111.8 | Q451 | M449-Q451 PolarHBondContact O-N 3.4Š|
| 450 | P | 61.4 | Low | 51.1 | Low | 118 Ų | 118 | 154.1 Ų | 154.1 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 125.5 | 173.4 | -21.8 | 32.9 | 0 | 0 | 0 | 111.3 | ||
| 451 | Q | 51.5 | Low | 51 | Low | 169 Ų | 169 | 150.6 Ų | 150.6 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 141.7 | 169.8 | -68.4 | -164.6 | 13.1 | 0 | 0 | 110.7 | M449 | M449-Q451 PolarHBondContact O-N 3.4Š|
| 452 | P | 54.9 | Low | 50.9 | Low | 105 Ų | 105 | 151.4 Ų | 151.4 | 68% | 0.682 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 138.8 | 174.1 | 30.7 | -33.8 | 0 | 0 | 0 | 111 | T454 | P452-T454 PolarHBondContact O-N 3.1Š|
| 453 | P | 63.2 | Low | 50.9 | Low | 133 Ų | 133 | 150.8 Ų | 150.8 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 125.2 | 175.7 | 27.9 | -33.6 | 0 | 0 | 0 | 110.6 | ||
| 454 | T | 44.2 | Very low | 50.6 | Low | 131 Ų | 131 | 151.1 Ų | 151.1 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 151.8 | 173.4 | -39.8 | 0 | 0 | 0 | 0 | 110 | P452 | P452-T454 PolarHBondContact O-N 3.1Š|
| 455 | Q | 44.2 | Very low | 50.6 | Low | 179 Ų | 179 | 151.5 Ų | 151.5 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | 73.6 | 99.6 | 174.8 | -49 | -142.2 | 98.2 | 0 | 0 | 117.1 | ||||
| 456 | Q | 45.7 | Very low | 50.2 | Low | 200 Ų | 200 | 150.2 Ų | 150.2 | 94% | 0.935 | 80% | 0.802 | S | S | * | * | -150.5 | 155 | 104.8 | -107.6 | 171.1 | 41 | 0 | 0 | 111.3 | |||||
| 457 | Q | 42.3 | Very low | 49.8 | Very low | 182 Ų | 182 | 150.6 Ų | 150.6 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -103.2 | 105.5 | -162.7 | -177.7 | -179.5 | 36.9 | 0 | 0 | 110.9 | ||||
| 458 | V | 49.7 | Very low | 49.6 | Very low | 134 Ų | 134 | 150.1 Ų | 150.1 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | -128.2 | 110.8 | 169.8 | -175.8 | 0 | 0 | 0 | 0 | 109.7 | I460 | V458-I460 PolarHBondContact O-N 3.31Š| ||
| 459 | T | 39.4 | Very low | 49 | Very low | 115 Ų | 115 | 146.3 Ų | 146.3 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -79.9 | 104.7 | -175.8 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 460 | I | 48.2 | Very low | 48.8 | Very low | 146 Ų | 146 | 146.7 Ų | 146.7 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | trans | -129 | 111.6 | 154.7 | -62.4 | -176.1 | 0 | 0 | 0 | 108.1 | V458 | V458-I460 PolarHBondContact O-N 3.31Š| ||
| 461 | L | 41.3 | Very low | 48 | Very low | 155 Ų | 155 | 149 Ų | 149 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -78.3 | 136.3 | 168.5 | -62 | -177.2 | 0 | 0 | 0 | 109.3 | ||||
| 462 | Q | 45.9 | Very low | 47.7 | Very low | 189 Ų | 189 | 149.8 Ų | 149.8 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -139.5 | 122.8 | 151.7 | -152 | 143.9 | 114 | 0 | 0 | 110.4 | ||||
| 463 | Q | 51.2 | Low | 47.6 | Very low | 156 Ų | 156 | 150.3 Ų | 150.3 | 73% | 0.729 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 144.2 | -167.8 | 178.6 | -176.7 | -8.8 | 0 | 0 | 110 | P465 | Q463-P465 WeakPolarHBondContact O-CD 3.35Š|
| 464 | P | 54.3 | Low | 46.9 | Very low | 109 Ų | 109 | 149.4 Ų | 149.4 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 124.8 | 170 | 27.2 | -33.5 | 0 | 0 | 0 | 109.7 | ||
| 465 | P | 63.5 | Low | 46.8 | Very low | 125 Ų | 125 | 149.1 Ų | 149.1 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 126.6 | -178.2 | 27.1 | -33.3 | 0 | 0 | 0 | 111 | Q463 | Q463-P465 WeakPolarHBondContact O-CD 3.35Š|
| 466 | P | 48.5 | Very low | 46.9 | Very low | 98 Ų | 98 | 150.1 Ų | 150.1 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 162.5 | 178.9 | 33.6 | -35.5 | 0 | 0 | 0 | 112.5 | Q468 | P466-Q468 PolarHBondContact O-N 3.04Š|
| 467 | L | 40.8 | Very low | 46.7 | Very low | 178 Ų | 178 | 149.8 Ų | 149.8 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 122.9 | 173.9 | -62.1 | 170.1 | 0 | 0 | 0 | 111.5 | ||
| 468 | Q | 45.5 | Very low | 46.9 | Very low | 191 Ų | 191 | 148 Ų | 148 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -137.7 | 149.4 | 159.4 | -68.9 | -163.2 | -3.7 | 0 | 0 | 110.4 | P466 | P466-Q468 PolarHBondContact O-N 3.04Š| ||
| 469 | A | 39.9 | Very low | 46.5 | Very low | 98 Ų | 98 | 151.3 Ų | 151.3 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -115.6 | 126.6 | -164.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 470 | M | 50 | Low | 46.9 | Very low | 169 Ų | 169 | 153.6 Ų | 153.6 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | trans | -170.1 | 147 | 167 | -99.8 | 162.4 | 64.4 | 0 | 0 | 107.2 | ||||
| 471 | Q | 44.9 | Very low | 46.3 | Very low | 167 Ų | 167 | 151.5 Ų | 151.5 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | cis | -160.5 | 144.4 | -21.7 | -161.4 | 132.4 | 64.1 | 0 | 0 | 107.5 | ||||
| 472 | Q | 44.9 | Very low | 46.4 | Very low | 185 Ų | 185 | 151.8 Ų | 151.8 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -74.2 | 150.4 | 171.4 | -70.8 | -174.4 | -1.5 | 0 | 0 | 111 | ||||
| 473 | P | 51.5 | Low | 45.8 | Very low | 117 Ų | 117 | 150 Ų | 150 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | -139.4 | -164.6 | 120.7 | 46.3 | -33.8 | 0 | 0 | 0 | 111 | |||||
| 474 | P | 48.8 | Very low | 45.4 | Very low | 113 Ų | 113 | 151.5 Ų | 151.5 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | -118.6 | 169.4 | -115.9 | 14.8 | 12 | 0 | 0 | 0 | 114.8 | |||||
| 475 | P | 43.2 | Very low | 44.8 | Very low | 125 Ų | 125 | 154.7 Ų | 154.7 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | -79.2 | 146.1 | -178.2 | 32.5 | -35.7 | 0 | 0 | 0 | 113.4 | ||||
| 476 | Q | 46.5 | Very low | 44.1 | Very low | 201 Ų | 201 | 154 Ų | 154 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | trans | -124.9 | 158.4 | 163.4 | -68.7 | -159.7 | 7.1 | 0 | 0 | 111.9 | ||||
| 477 | K | 41.3 | Very low | 44 | Very low | 193 Ų | 193 | 155.2 Ų | 155.2 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | -144.9 | 103.7 | -148.9 | 179.3 | -178.9 | -175.5 | 174.8 | 0 | 110.4 | ||||
| 478 | V | 45 | Very low | 44.2 | Very low | 144 Ų | 144 | 152 Ų | 152 | 87% | 0.873 | 80% | 0.799 | S | S | * | * | trans | -110 | 137.7 | 172.1 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | I480 | V478-I480 HydrophobicContact CG1-CD1 4.3Š| ||
| 479 | R | 43 | Very low | 43.9 | Very low | 203 Ų | 203 | 150.6 Ų | 150.6 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | trans | -135.5 | 114.5 | -166.5 | 168.9 | -169.3 | 177.3 | 156.9 | 1.5 | 109.1 | ||||
| 480 | I | 47 | Very low | 44 | Very low | 163 Ų | 163 | 155.1 Ų | 155.1 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | -123.4 | 142.3 | 155.5 | -74.2 | 88.7 | 0 | 0 | 0 | 107.3 | V478 | V478-I480 HydrophobicContact CG1-CD1 4.3Š| ||
| 481 | N | 35.4 | Very low | 43.5 | Very low | 103 Ų | 103 | 152.3 Ų | 152.3 | 55% | 0.551 | 80% | 0.798 | S | S | * | * | trans | -147.5 | 124.5 | -172.5 | 167.5 | -24.2 | 0 | 0 | 0 | 107.7 | ||||
| 482 | L | 42.9 | Very low | 43.4 | Very low | 161 Ų | 161 | 154.4 Ų | 154.4 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -167.4 | 115.5 | 151.9 | -125.5 | 55.9 | 0 | 0 | 0 | 105.6 | ||||
| 483 | Q | 34.8 | Very low | 43.2 | Very low | 151 Ų | 151 | 152.5 Ų | 152.5 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | 74.6 | 73.5 | 56.4 | -172.4 | 76.4 | 81.2 | 0 | 0 | 112.9 | |||||
| 484 | Q | 41.3 | Very low | 43.3 | Very low | 188 Ų | 188 | 153.6 Ų | 153.6 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -160.2 | 157.4 | 138.6 | -125.2 | 129.2 | 115.5 | 0 | 0 | 112.5 | ||||
| 485 | Q | 42.1 | Very low | 43.2 | Very low | 176 Ų | 176 | 153.4 Ų | 153.4 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -123.9 | 139 | -170.9 | 168 | -170.7 | -21.6 | 0 | 0 | 109.9 | ||||
| 486 | P | 49.7 | Very low | 43.6 | Very low | 111 Ų | 111 | 153.5 Ų | 153.5 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | trans | -91 | 157.6 | 172.3 | 34.8 | -32.8 | 0 | 0 | 0 | 113.8 | ||||
| 487 | P | 45.3 | Very low | 43.6 | Very low | 123 Ų | 123 | 149.9 Ų | 149.9 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -96.3 | 178 | -175.7 | 38.8 | -35.3 | 0 | 0 | 0 | 114.3 | ||||
| 488 | P | 44.9 | Very low | 43.5 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | trans | -113.9 | 167.3 | -161.4 | 42.6 | -35.2 | 0 | 0 | 0 | 116.9 | ||||
| 489 | L | 38.9 | Very low | 43.3 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | 65.6 | 141.4 | 170.6 | -46.3 | -179.4 | 0 | 0 | 0 | 114.7 | ||||
| 490 | Q | 42.9 | Very low | 43.4 | Very low | 193 Ų | 193 | 145.6 Ų | 145.6 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | cis | -155.7 | 161.5 | 44.9 | -69.2 | 174.9 | 12.1 | 0 | 0 | 111.4 | ||||
| 491 | S | 39.2 | Very low | 43.1 | Very low | 110 Ų | 110 | 145.6 Ų | 145.6 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -103.4 | 149.5 | 178.6 | 45.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 492 | K | 42.4 | Very low | 43.3 | Very low | 212 Ų | 212 | 150.3 Ų | 150.3 | 92% | 0.922 | 81% | 0.811 | S | S | * | * | trans | -147.9 | 141 | 171.3 | -135.7 | 171.9 | -174.9 | 177.3 | 0 | 111.3 | ||||
| 493 | I | 41 | Very low | 43 | Very low | 144 Ų | 144 | 147 Ų | 147 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | trans | -103.1 | 142.6 | -168 | -72.4 | 69.5 | 0 | 0 | 0 | 110.7 | ||||
| 494 | V | 53.5 | Low | 43.1 | Very low | 140 Ų | 140 | 146.4 Ų | 146.4 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | trans | -144.2 | 133 | 162.3 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 495 | P | 47.6 | Very low | 43 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 71% | 0.714 | 81% | 0.809 | S | S | * | * | trans | -104 | 164 | -178.6 | 38.8 | -34.6 | 0 | 0 | 0 | 114.9 | ||||
| 496 | P | 49.8 | Very low | 42.8 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -106.5 | 160.3 | 178.5 | 39.3 | -33.8 | 0 | 0 | 0 | 115.3 | ||||
| 497 | P | 46.8 | Very low | 42.8 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -112.2 | 135.3 | -178.9 | 38.4 | -31.1 | 0 | 0 | 0 | 117.9 | ||||
| 498 | A | 40.4 | Very low | 43.3 | Very low | 87 Ų | 87 | 141.8 Ų | 141.8 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | trans | 44.1 | 117.1 | 135.3 | 0 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 499 | L | 40.9 | Very low | 42.7 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | 65.6 | 123.3 | 124 | -60.3 | 174.4 | 0 | 0 | 0 | 123.8 | |||||
| 500 | K | 43.8 | Very low | 42.7 | Very low | 207 Ų | 207 | 140.7 Ų | 140.7 | 90% | 0.9 | 80% | 0.802 | S | S | * | * | -173.3 | 169.9 | 98.4 | -106.3 | 173 | -179.6 | 173 | 0 | 114.4 | |||||
| 501 | M | 41.1 | Very low | 42.3 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | -127.6 | 163.6 | -167 | -63.2 | 147.3 | 58.1 | 0 | 0 | 114.3 | ||||
| 502 | Q | 41.1 | Very low | 42.6 | Very low | 202 Ų | 202 | 140.3 Ų | 140.3 | 94% | 0.944 | 80% | 0.801 | S | S | * | * | trans | -165.6 | 166.5 | 150.4 | -108.1 | 146.7 | 103.2 | 0 | 0 | 111.6 | ||||
| 503 | A | 36.4 | Very low | 42.9 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -155.6 | -170.5 | -162.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 504 | T | 36.5 | Very low | 43.2 | Very low | 138 Ų | 138 | 134 Ų | 134 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | trans | 87 | 134.6 | 165.8 | -54.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 505 | V | 39 | Very low | 42.5 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | cis | -152.4 | -130.2 | -15.6 | 64.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 506 | L | 37.6 | Very low | 42 | Very low | 152 Ų | 152 | 139.6 Ų | 139.6 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | -138 | -157 | -158 | -55.1 | 166.3 | 0 | 0 | 0 | 115 | ||||
| 507 | P | 50 | Low | 41.8 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | -126.6 | -130.9 | -129.5 | 36.6 | -8.3 | 0 | 0 | 0 | 112.7 | |||||
| 508 | P | 55.5 | Low | 41.5 | Very low | 105 Ų | 105 | 140 Ų | 140 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | cis | -137.8 | -165.2 | -25.9 | 30.9 | -6 | 0 | 0 | 0 | 116.3 | ||||
| 509 | T | 33 | Very low | 41.4 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | trans | 109.2 | 155 | 141.9 | -19.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 510 | V | 38.8 | Very low | 41.2 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | trans | 77.4 | 150.9 | 165.4 | -48.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 511 | E | 34.8 | Very low | 41.2 | Very low | 175 Ų | 175 | 134.9 Ų | 134.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | cis | -177 | 151.4 | -30.8 | 178.5 | 166.9 | 84.7 | 0 | 0 | 110.8 | ||||
| 512 | S | 44.2 | Very low | 41.6 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | 143.9 | 165.1 | 150.6 | -66.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 513 | S | 50.1 | Low | 41.5 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | -153.8 | -161.1 | -170.7 | -150.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 514 | P | 47.5 | Very low | 41.5 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | cis | -133.9 | -160.9 | -25.9 | 37.4 | -15.5 | 0 | 0 | 0 | 114.6 | ||||
| 515 | E | 38.6 | Very low | 41.7 | Very low | 188 Ų | 188 | 132.2 Ų | 132.2 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | trans | 149.2 | -178.8 | 138.1 | -71.7 | -157.3 | 80.5 | 0 | 0 | 118 | ||||
| 516 | Q | 36.1 | Very low | 41.5 | Very low | 179 Ų | 179 | 131 Ų | 131 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | trans | -129.3 | -161.8 | -141.1 | -126.5 | -173.4 | -17.9 | 0 | 0 | 115.2 | ||||
| 517 | P | 45 | Very low | 41.6 | Very low | 87 Ų | 87 | 130 Ų | 130 | 57% | 0.565 | 75% | 0.753 | S | S | * | * | cis | -143.9 | -176 | -23.3 | 36 | -12.4 | 0 | 0 | 0 | 119.3 | ||||
| 518 | M | 41.2 | Very low | 41 | Very low | 172 Ų | 172 | 133.3 Ų | 133.3 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | trans | 68.7 | 133 | 140.5 | 74.8 | -170.3 | 174.5 | 0 | 0 | 128.4 | ||||
| 519 | N | 37.9 | Very low | 40.1 | Very low | 144 Ų | 144 | 132.4 Ų | 132.4 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | 159.4 | 140.8 | 101.6 | -168.3 | 38.9 | 0 | 0 | 0 | 119.7 | |||||
| 520 | S | 37.7 | Very low | 40.2 | Very low | 93 Ų | 93 | 133.6 Ų | 133.6 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | trans | 62.9 | 169.4 | 156.9 | -85.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 521 | S | 43.7 | Very low | 40.2 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | cis | -171.3 | 169 | -31.1 | -85.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 522 | P | 49.8 | Very low | 41 | Very low | 118 Ų | 118 | 129.2 Ų | 129.2 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | -136.3 | -158.7 | -159.6 | 42.7 | -23.2 | 0 | 0 | 0 | 119.9 | ||||
| 523 | E | 37.7 | Very low | 41 | Very low | 179 Ų | 179 | 131.8 Ų | 131.8 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | trans | 95.8 | 151.1 | 166.5 | -58.7 | -149.7 | 73.9 | 0 | 0 | 119.7 | ||||
| 524 | A | 37.1 | Very low | 40.6 | Very low | 68 Ų | 68 | 131.8 Ų | 131.8 | 56% | 0.562 | 75% | 0.752 | S | S | * | * | cis | -170.9 | -177.6 | -17.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 525 | H | 40.9 | Very low | 40.4 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | 82.8 | 164.1 | 159.4 | -65.2 | -58.7 | 0 | 0 | 0 | 123.8 | ||||
| 526 | T | 34 | Very low | 40.4 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 64% | 0.638 | 75% | 0.75 | S | S | * | * | cis | -178.2 | 129.9 | -42.2 | -81.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 527 | V | 40.4 | Very low | 40.9 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | trans | 54.5 | 165.9 | 167.7 | -51.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 528 | E | 36.6 | Very low | 40.8 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | cis | -145.3 | -154.5 | -3.9 | -143.1 | 172.4 | 71 | 0 | 0 | 114 | ||||
| 529 | A | 37.2 | Very low | 41.4 | Very low | 85 Ų | 85 | 135.5 Ų | 135.5 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | trans | -135.7 | 176.8 | -155 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 530 | T | 35.6 | Very low | 41.5 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | 163.1 | 162.9 | 142.2 | -68.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 531 | S | 38.7 | Very low | 41.7 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -137.9 | -136.9 | 178.9 | -149.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 532 | P | 52 | Low | 42.3 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | cis | -145.7 | -173.4 | -4.6 | 46.9 | -26.6 | 0 | 0 | 0 | 118.4 | ||||
| 533 | E | 43.9 | Very low | 42 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | 68.9 | 173.5 | 154.9 | -50.5 | -146.2 | 117.9 | 0 | 0 | 121.6 | ||||
| 534 | T | 40.9 | Very low | 42.6 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | cis | -160.2 | 172.5 | 16.5 | -31.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 535 | I | 43.8 | Very low | 42.8 | Very low | 148 Ų | 148 | 140.7 Ų | 140.7 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | 84.8 | 130.3 | 161.4 | -54.8 | 170.4 | 0 | 0 | 0 | 117.7 | ||||
| 536 | C | 38.8 | Very low | 43.4 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | cis | 105.2 | 123 | 4.4 | -62.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 537 | E | 46.1 | Very low | 44.1 | Very low | 195 Ų | 195 | 142.9 Ų | 142.9 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | 179.1 | 175.4 | 126.3 | -105 | -170.7 | 78.4 | 0 | 0 | 114.4 | |||||
| 538 | M | 43.5 | Very low | 43.9 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | -159.6 | 155.9 | -160.8 | 61.1 | -171.7 | 178.5 | 0 | 0 | 114.1 | ||||
| 539 | I | 53.1 | Low | 44.3 | Very low | 184 Ų | 184 | 138.5 Ų | 138.5 | 94% | 0.944 | 80% | 0.8 | S | S | * | * | trans | -153.8 | 160.3 | 170.3 | 9.3 | 173.4 | 0 | 0 | 0 | 112.1 | ||||
| 540 | A | 40.9 | Very low | 44.6 | Very low | 94 Ų | 94 | 139.3 Ų | 139.3 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | -154.3 | -179.8 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 541 | D | 40.5 | Very low | 44.8 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | 96.6 | 166.9 | 150.9 | -130.6 | -78.9 | 0 | 0 | 0 | 121.6 | ||||
| 542 | V | 57.3 | Low | 45.2 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | 86.6 | 115.9 | 171.9 | -171.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 543 | V | 43.1 | Very low | 44.5 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | trans | -139.3 | 137.2 | 158.2 | 173.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 544 | P | 51.2 | Low | 44.6 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | trans | -120.6 | 152.5 | 163.6 | 36.9 | -26.1 | 0 | 0 | 0 | 113.9 | ||||
| 545 | E | 41.1 | Very low | 44.7 | Very low | 195 Ų | 195 | 147.2 Ų | 147.2 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | trans | -99.1 | 151.7 | 176.4 | -179.8 | 179 | 92 | 0 | 0 | 110.8 | ||||
| 546 | V | 52.1 | Low | 44.5 | Very low | 135 Ų | 135 | 148.1 Ų | 148.1 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -147.9 | 109.1 | 168.7 | 62.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 547 | E | 49 | Very low | 45 | Very low | 189 Ų | 189 | 149.3 Ų | 149.3 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | trans | 25.1 | 150.8 | 136.4 | -147.8 | 160.6 | 90.6 | 0 | 0 | 123 | ||||
| 548 | S | 37.4 | Very low | 44.8 | Very low | 108 Ų | 108 | 146.2 Ų | 146.2 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | -132.2 | 140.4 | -174.9 | 174.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 549 | P | 43.7 | Very low | 44.9 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 75% | 0.747 | 82% | 0.815 | S | S | * | * | trans | -118.7 | 105.3 | 169.3 | 35.6 | -22.9 | 0 | 0 | 0 | 114.8 | ||||
| 550 | S | 43.6 | Very low | 44.5 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | trans | 21.2 | 125.4 | 135.3 | 60 | 0 | 0 | 0 | 0 | 123 | ||||
| 551 | Q | 39.2 | Very low | 44.7 | Very low | 182 Ų | 182 | 139.2 Ų | 139.2 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | 66.6 | 117.3 | 120.5 | -171.6 | -179.1 | 101.7 | 0 | 0 | 121.5 | |||||
| 552 | M | 47.1 | Very low | 45.1 | Very low | 190 Ų | 190 | 138 Ų | 138 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | -160.7 | 165.8 | 123.1 | 62.1 | -177.4 | -165.9 | 0 | 0 | 112.3 | |||||
| 553 | D | 39.4 | Very low | 44.4 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | -98.8 | -175.7 | -161 | -99.2 | -96.5 | 0 | 0 | 0 | 115.9 | ||||
| 554 | V | 44.5 | Very low | 44.9 | Very low | 124 Ų | 124 | 140 Ų | 140 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | 82 | 132.3 | 166.6 | -168.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 555 | E | 42.4 | Very low | 44.9 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | cis | -137.4 | 163.7 | 13.7 | -153.7 | 162.2 | 82.9 | 0 | 0 | 113.3 | ||||
| 556 | L | 40.9 | Very low | 46.3 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -84.9 | 126.2 | 170.9 | -95.7 | 70.5 | 0 | 0 | 0 | 112 | ||||
| 557 | V | 48.4 | Very low | 47.2 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | -119.9 | 122.9 | 154.3 | 161 | 0 | 0 | 0 | 0 | 109.3 | G559 | V557-G559 PolarHBondContact O-N 3.46Š| ||
| 558 | S | 43.3 | Very low | 48.8 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -82 | 111 | -178.3 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 559 | G | 44.9 | Very low | 51.3 | Low | 66 Ų | 66 | 136.4 Ų | 136.4 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | trans | -123.6 | 131.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V557 | V557-G559 PolarHBondContact O-N 3.46Š| ||
| 560 | S | 43.8 | Very low | 53.7 | Low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | -62.1 | 150.6 | -173 | -57.7 | 0 | 0 | 0 | 0 | 114 | V562 | S560-V562 PolarHBondContact O-N 2.64Å; S560-V562 VanDerWaalsContact O-N 3.1Å | ||
| 561 | P | 45.9 | Very low | 56 | Low | 132 Ų | 132 | 129.2 Ų | 129.2 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | trans | -66.5 | 111.2 | 177.4 | 27.7 | -34.7 | 0 | 0 | 0 | 111.1 | ||||
| 562 | V | 47.8 | Very low | 58.5 | Low | 129 Ų | 129 | 123.2 Ų | 123.2 | 78% | 0.782 | 71% | 0.705 | S | S | * | * | trans | -80.2 | 126.8 | 169.2 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | S560 L564 | S560-V562 PolarHBondContact O-N 2.64Å; S560-V562 VanDerWaalsContact O-N 3.1Å; V562-L564 PolarHBondContact O-N 2.85Å | ||
| 563 | T | 43.6 | Very low | 60.5 | Low | 134 Ų | 134 | 119 Ų | 119 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | trans | -57.4 | 108.5 | 178.5 | -53.2 | 0 | 0 | 0 | 0 | 110.8 | S565 | T563-S565 PolarHBondContact O-N 3.29Š| ||
| 564 | L | 52.6 | Low | 62.9 | Low | 165 Ų | 165 | 115.5 Ų | 115.5 | 86% | 0.864 | 69% | 0.693 | S | S | * | * | trans | -67.7 | 95.2 | 175.5 | -77.5 | 165.5 | 0 | 0 | 0 | 110 | V562 | V562-L564 PolarHBondContact O-N 2.85Š| ||
| 565 | S | 52 | Low | 65.1 | Low | 99 Ų | 99 | 110.2 Ų | 110.2 | 69% | 0.692 | 66% | 0.661 | S | S | * | * | trans | -58.8 | 132.4 | 163.2 | -169.8 | 0 | 0 | 0 | 0 | 108.6 | T563 Q567 | T563-S565 PolarHBondContact O-N 3.29Å; S565-Q567 PolarHBondContact O-N 3.15Å | ||
| 566 | P | 71.6 | Confident | 67.3 | Low | 119 Ų | 119 | 111 Ų | 111 | 77% | 0.773 | 67% | 0.665 | S | S | * | * | trans | -64.4 | 110.6 | -177.8 | 26.1 | -33.7 | 0 | 0 | 0 | 109.7 | ||||
| 567 | Q | 69.9 | Low | 69.7 | Low | 160 Ų | 160 | 107.6 Ų | 107.6 | 75% | 0.748 | 65% | 0.647 | S | S | * | * | trans | -59.2 | 139.9 | 171.6 | -69.2 | -171.9 | -2.1 | 0 | 0 | 109.2 | S565 R569 | S565-Q567 PolarHBondContact O-N 3.15Å; Q567-R569 PolarHBondContact O-N 2.99Å | ||
| 568 | P | 82.4 | Confident | 71.7 | Confident | 96 Ų | 96 | 104.9 Ų | 104.9 | 62% | 0.623 | 63% | 0.633 | S | S | * | * | trans | -60 | 133 | 171.6 | 27.5 | -33.8 | 0 | 0 | 0 | 108.6 | P579 | P568-P579 HydrophobicContact CB-CG 4.25Å; P568-P579 WeakPolarHBondContact O-CD 3.43Å | ||
| 569 | R | 89.8 | Confident | 74 | Confident | 194 Ų | 194 | 100 Ų | 100 | 73% | 0.732 | 60% | 0.598 | S | S | * | * | trans | -110.9 | 155.3 | 174.9 | 63.3 | 179.8 | 177.5 | -176.8 | -1.5 | 109.3 | Q567 V571 | Q567-R569 PolarHBondContact O-N 2.99Å; R569-V571 PolarHBondContact O-N 3.05Å | ||
| 570 | C | 93.8 | Very high | 76.1 | Confident | 4 Ų | 4 | 100.1 Ų | 100.1 | 3% | 0.027 | 59% | 0.585 | C | S | . | * | trans | -53.4 | 131.2 | 175.6 | -178 | 0 | 0 | 0 | 0 | 111.7 | R572 C575 N577 E588 C590 C594 | C570-R572 PolarHBondContact O-N 3.03Å; C570-C575 HydrophobicContact CB-CB 3.93Å; C570-N577 WeakPolarHBondContact CB-O 3.21Å; C570-N577 PolarHBondContact N-O 3.32Å; C570-E588 WeakPolarHBondContact CA-O 3.22Å; C570-C590 HydrophobicContact CB-CB 4.16Å; C570-C594 VanDerWaalsContact SG-CB 3.59Å | ||
| 571 | V | 92.6 | Very high | 78.2 | Confident | 62 Ų | 62 | 102.4 Ų | 102.4 | 38% | 0.376 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -63.6 | -20.5 | -178.9 | 167.6 | 0 | 0 | 0 | 0 | 113.2 | R569 S573 E588 Y589 | R569-V571 PolarHBondContact O-N 3.05Å; V571-S573 PolarHBondContact O-N 3.34Å; V571-E588 HydrophobicContact CB-CB 4.42Å; V571-E588 HydrophobicContact CG2-CB 3.79Å; V571-E588 HydrophobicContact CG2-CG 4.17Å; V571-E588 PolarHBondContact N-O 2.9Å; V571-Y589 HydrophobicContact CB-CD1 4.49Å; V571-Y589 HydrophobicContact CB-CE1 3.97Å; V571-Y589 HydrophobicContact CG1-CE1 4.21Å |
| 572 | R | 91.5 | Very high | 79.9 | Confident | 55 Ų | 55 | 97 Ų | 97 | 21% | 0.208 | 55% | 0.553 | C | S | . | * | S | Bend | trans | -68.1 | 120.8 | 175.1 | -164.2 | -157.1 | 86.3 | -162 | 7.9 | 110.8 | C570 G574 C575 C594 H598 | C570-R572 PolarHBondContact O-N 3.03Å; R572-G574 PolarHBondContact NH2-O 3.44Å; R572-G574 PolarHBondContact O-N 2.92Å; R572-C575 HydrophobicContact CB-CB 4.34Å; R572-C575 VanDerWaalsContact O-CB 3.3Å; R572-C575 WeakPolarHBondContact O-CB 3.26Å; R572-C575 PolarHBondContact O-N 3.34Å; R572-C575 VanDerWaalsContact O-N 3.1Å; R572-C594 HydrophobicContact CB-CB 4.12Å; R572-C594 PolarHBondContact NH1-SG 3.27Å; R572-H598 HydrophobicContact CB-CB 4.18Å; R572-H598 HydrophobicContact CG-CB 4.05Å |
| 573 | S | 88.7 | Confident | 81.9 | Confident | 102 Ų | 102 | 101 Ų | 101 | 71% | 0.713 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.2 | 134.1 | 168.6 | -56.1 | 0 | 0 | 0 | 0 | 112.3 | V571 | V571-S573 PolarHBondContact O-N 3.34Š|
| 574 | G | 89.4 | Confident | 83.9 | Confident | 71 Ų | 71 | 101.3 Ų | 101.3 | 73% | 0.732 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.7 | 35.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R572 | R572-G574 PolarHBondContact NH2-O 3.44Å; R572-G574 PolarHBondContact O-N 2.92Å |
| 575 | C | 91.4 | Very high | 85.5 | Confident | 13 Ų | 13 | 95.7 Ų | 95.7 | 9% | 0.088 | 52% | 0.524 | C | S | . | . | trans | -129.5 | 119.1 | 166.8 | -166.9 | 0 | 0 | 0 | 0 | 109.6 | C570 R572 C590 | C570-C575 HydrophobicContact CB-CB 3.93Å; R572-C575 HydrophobicContact CB-CB 4.34Å; R572-C575 VanDerWaalsContact O-CB 3.3Å; R572-C575 WeakPolarHBondContact O-CB 3.26Å; R572-C575 PolarHBondContact O-N 3.34Å; R572-C575 VanDerWaalsContact O-N 3.1Å; C575-C590 PolarHBondContact SG-SG 3.24Å | ||
| 576 | E | 89.8 | Confident | 87.2 | Confident | 188 Ų | 188 | 97.3 Ų | 97.3 | 88% | 0.879 | 53% | 0.525 | S | S | * | . | trans | -100 | -2.3 | -176.8 | -69.3 | 165.3 | 104.8 | 0 | 0 | 112.8 | ||||
| 577 | N | 89.6 | Confident | 87.9 | Confident | 96 Ų | 96 | 95.1 Ų | 95.1 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -67.5 | 144.5 | 177.6 | -66 | -54.3 | 0 | 0 | 0 | 111.6 | C570 C590 | C570-N577 WeakPolarHBondContact CB-O 3.21Å; C570-N577 PolarHBondContact N-O 3.32Å; N577-C590 HydrophobicContact CB-CB 3.56Å |
| 578 | P | 90.5 | Very high | 89 | Confident | 82 Ų | 82 | 91.8 Ų | 91.8 | 53% | 0.532 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 146.4 | 169.5 | 28.9 | -35 | 0 | 0 | 0 | 110.2 | C590 | P578-C590 WeakPolarHBondContact O-CB 3.37Š|
| 579 | P | 92.6 | Very high | 89.6 | Confident | 26 Ų | 26 | 88.2 Ų | 88.2 | 17% | 0.169 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 148.5 | 172.7 | -25.7 | 35.6 | 0 | 0 | 0 | 113.3 | P568 N587 | P568-P579 HydrophobicContact CB-CG 4.25Å; P568-P579 WeakPolarHBondContact O-CD 3.43Å; P579-N587 WeakPolarHBondContact CB-O 3.31Å; P579-N587 WeakPolarHBondContact CG-O 3.25Å |
| 580 | V | 89.7 | Confident | 89.7 | Confident | 69 Ų | 69 | 80.1 Ų | 80.1 | 42% | 0.418 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -90.2 | 141.1 | 169.6 | 69.5 | 0 | 0 | 0 | 0 | 109.2 | S582 W585 Y589 | V580-S582 PolarHBondContact O-N 2.86Å; V580-W585 HydrophobicContact CG1-CZ2 3.86Å; V580-Y589 WeakPolarHBondContact CG1-O 3.46Å; V580-Y589 PolarHBondContact N-O 2.95Å |
| 581 | I | 86.9 | Confident | 89.7 | Confident | 154 Ų | 154 | 81.9 Ų | 81.9 | 79% | 0.79 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 121.9 | 175.7 | -62.9 | 174.9 | 0 | 0 | 0 | 108.7 | N587 | I581-N587 WeakPolarHBondContact CA-OD1 3.37Å; I581-N587 WeakPolarHBondContact CG2-OD1 3.4Å |
| 582 | S | 82.4 | Confident | 89.7 | Confident | 20 Ų | 20 | 83.8 Ų | 83.8 | 14% | 0.14 | 46% | 0.459 | C | S | . | . | trans | -146.7 | 153.9 | -179.5 | 87.7 | 0 | 0 | 0 | 0 | 110.8 | V580 D584 W585 N587 | V580-S582 PolarHBondContact O-N 2.86Å; S582-D584 PolarHBondContact OG-N 3.07Å; S582-W585 VanDerWaalsContact OG-CE2 3.24Å; S582-W585 PolarHBondContact OG-N 2.92Å; S582-W585 VanDerWaalsContact OG-N 3.16Å; S582-W585 PolarHBondContact OG-NE1 3.11Å; S582-W585 VanDerWaalsContact OG-NE1 3.12Å; S582-N587 PolarHBondContact N-OD1 3.28Å; S582-N587 PolarHBondContact O-OD1 3.41Å | ||
| 583 | K | 88 | Confident | 89.9 | Confident | 213 Ų | 213 | 87 Ų | 87 | 93% | 0.926 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -88.3 | -10.2 | 172.7 | -64.8 | -172.7 | 177.6 | -175.2 | 0 | 112.6 | ||
| 584 | D | 87.5 | Confident | 90.1 | Very high | 139 Ų | 139 | 82.3 Ų | 82.3 | 74% | 0.743 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -95.4 | -16.8 | -172 | -54 | -92.7 | 0 | 0 | 0 | 113.5 | S582 | S582-D584 PolarHBondContact OG-N 3.07Š|
| 585 | W | 84.9 | Confident | 90.4 | Very high | 48 Ų | 48 | 80.2 Ų | 80.2 | 18% | 0.182 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -151.1 | 38.9 | -174.9 | 58.1 | 71.7 | 0 | 0 | 0 | 115 | V580 S582 N587 E588 Y589 N592 V595 | V580-W585 HydrophobicContact CG1-CZ2 3.86Å; S582-W585 VanDerWaalsContact OG-CE2 3.24Å; S582-W585 PolarHBondContact OG-N 2.92Å; S582-W585 VanDerWaalsContact OG-N 3.16Å; S582-W585 PolarHBondContact OG-NE1 3.11Å; S582-W585 VanDerWaalsContact OG-NE1 3.12Å; W585-N587 PolarHBondContact O-N 3.38Å; W585-E588 WeakPolarHBondContact O-CB 3.42Å; W585-E588 PolarHBondContact O-N 3.06Å; W585-Y589 HydrophobicContact CB-CD2 3.76Å; W585-Y589 HydrophobicContact CB-CE2 4.15Å; W585-Y589 AromaticContact CD1-CD2 3.7Å; W585-Y589 AromaticContact CG-CD2 3.81Å; W585-Y589 HydrophobicContact CG-CD2 3.81Å; W585-Y589 PolarHBondContact NE1-O 2.94Å; W585-Y589 VanDerWaalsContact NE1-O 3.15Å; W585-N592 HydrophobicContact CH2-CB 4.1Å; W585-N592 HydrophobicContact CZ3-CB 4.46Å; W585-V595 HydrophobicContact CB-CG2 4.38Å; W585-V595 HydrophobicContact CD2-CG2 3.6Å; W585-V595 HydrophobicContact CE3-CG2 3.7Å; W585-V595 HydrophobicContact CG-CG2 3.94Å; W585-V595 HydrophobicContact CZ3-CG2 4.23Å |
| 586 | D | 87.4 | Confident | 90.5 | Very high | 133 Ų | 133 | 83.7 Ų | 83.7 | 71% | 0.711 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 21.7 | 170.5 | -84.4 | -82.6 | 0 | 0 | 0 | 116.6 | E588 | D586-E588 VanDerWaalsContact C-N 3.33Å; D586-E588 HydrophobicContact CB-CG 4.36Å |
| 587 | N | 87.8 | Confident | 90.8 | Very high | 73 Ų | 73 | 79 Ų | 79 | 39% | 0.39 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 36.2 | -172.4 | -30.4 | -72.9 | 0 | 0 | 0 | 113.5 | P579 I581 S582 W585 | P579-N587 WeakPolarHBondContact CB-O 3.31Å; P579-N587 WeakPolarHBondContact CG-O 3.25Å; I581-N587 WeakPolarHBondContact CA-OD1 3.37Å; I581-N587 WeakPolarHBondContact CG2-OD1 3.4Å; S582-N587 PolarHBondContact N-OD1 3.28Å; S582-N587 PolarHBondContact O-OD1 3.41Å; W585-N587 PolarHBondContact O-N 3.38Å |
| 588 | E | 92.1 | Very high | 91 | Very high | 90 Ų | 90 | 76.2 Ų | 76.2 | 42% | 0.421 | 40% | 0.398 | S | S | . | . | trans | -94.1 | -17.4 | 179.5 | -71.3 | -165.2 | 138.4 | 0 | 0 | 115 | C570 V571 W585 D586 | C570-E588 WeakPolarHBondContact CA-O 3.22Å; V571-E588 HydrophobicContact CB-CB 4.42Å; V571-E588 HydrophobicContact CG2-CB 3.79Å; V571-E588 HydrophobicContact CG2-CG 4.17Å; V571-E588 PolarHBondContact N-O 2.9Å; W585-E588 WeakPolarHBondContact O-CB 3.42Å; W585-E588 PolarHBondContact O-N 3.06Å; D586-E588 VanDerWaalsContact C-N 3.33Å; D586-E588 HydrophobicContact CB-CG 4.36Å | ||
| 589 | Y | 94.6 | Very high | 91.2 | Very high | 20 Ų | 20 | 75.7 Ų | 75.7 | 8% | 0.078 | 40% | 0.395 | C | S | . | . | trans | -128.4 | 142.7 | -171.5 | -53.2 | -97.2 | 0 | 0 | 0 | 112 | V571 V580 W585 C594 V595 H598 | V571-Y589 HydrophobicContact CB-CD1 4.49Å; V571-Y589 HydrophobicContact CB-CE1 3.97Å; V571-Y589 HydrophobicContact CG1-CE1 4.21Å; V580-Y589 WeakPolarHBondContact CG1-O 3.46Å; V580-Y589 PolarHBondContact N-O 2.95Å; W585-Y589 HydrophobicContact CB-CD2 3.76Å; W585-Y589 HydrophobicContact CB-CE2 4.15Å; W585-Y589 AromaticContact CD1-CD2 3.7Å; W585-Y589 AromaticContact CG-CD2 3.81Å; W585-Y589 HydrophobicContact CG-CD2 3.81Å; W585-Y589 PolarHBondContact NE1-O 2.94Å; W585-Y589 VanDerWaalsContact NE1-O 3.15Å; Y589-C594 HydrophobicContact CD1-CB 4.49Å; Y589-V595 HydrophobicContact CD1-CB 4.48Å; Y589-V595 HydrophobicContact CD1-CG2 4.08Å; Y589-V595 HydrophobicContact CD2-CG2 3.79Å; Y589-V595 HydrophobicContact CG-CB 4.39Å; Y589-V595 HydrophobicContact CG-CG2 3.54Å; Y589-H598 HydrophobicContact CD1-CB 4.48Å; Y589-H598 HydrophobicContact CE1-CB 3.73Å; Y589-H598 AromaticContact CE1-CD2 3.75Å; Y589-H598 AromaticContact CE1-CG 3.82Å; Y589-H598 AromaticContact CZ-CD2 3.89Å; Y589-H598 PolarHBondContact OH-CD2 3.39Å | ||
| 590 | C | 93.3 | Very high | 91.4 | Very high | 25 Ų | 25 | 82.6 Ų | 82.6 | 17% | 0.169 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -77.2 | -20.1 | 179.7 | 69.6 | 0 | 0 | 0 | 0 | 113.8 | C570 C575 N577 P578 C594 | C570-C590 HydrophobicContact CB-CB 4.16Å; C575-C590 PolarHBondContact SG-SG 3.24Å; N577-C590 HydrophobicContact CB-CB 3.56Å; P578-C590 WeakPolarHBondContact O-CB 3.37Å; C590-C594 PolarHBondContact SG-SG 3.12Å |
| 591 | S | 92.5 | Very high | 91.6 | Very high | 41 Ų | 41 | 82.9 Ų | 82.9 | 29% | 0.287 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -161.7 | 156.6 | -177.2 | 64.2 | 0 | 0 | 0 | 0 | 111.5 | E593 C594 V595 | S591-E593 PolarHBondContact O-N 2.59Å; S591-C594 WeakPolarHBondContact O-CB 3.21Å; S591-C594 PolarHBondContact O-N 3.02Å; S591-C594 PolarHBondContact OG-N 3.25Å; S591-C594 PolarHBondContact OG-SG 3.39Å; S591-C594 VanDerWaalsContact OG-SG 3.4Å; S591-V595 PolarHBondContact O-N 2.85Å |
| 592 | N | 93.4 | Very high | 92 | Very high | 102 Ų | 102 | 79.2 Ų | 79.2 | 55% | 0.545 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -55.9 | -38.9 | 174.6 | -171.1 | -37.7 | 0 | 0 | 0 | 111.5 | W585 C594 V595 V596 | W585-N592 HydrophobicContact CH2-CB 4.1Å; W585-N592 HydrophobicContact CZ3-CB 4.46Å; N592-C594 VanDerWaalsContact C-N 3.25Å; N592-C594 PolarHBondContact O-N 3.03Å; N592-V595 WeakPolarHBondContact O-CB 3.31Å; N592-V595 PolarHBondContact O-N 3.44Å; N592-V595 VanDerWaalsContact O-N 3.13Å; N592-V596 WeakPolarHBondContact O-CG2 2.94Å; N592-V596 PolarHBondContact O-N 2.9Å; N592-V596 WeakPolarHBondContact OD1-CG2 3.31Å |
| 593 | E | 94.5 | Very high | 92.6 | Very high | 121 Ų | 121 | 84 Ų | 84 | 57% | 0.565 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -54.1 | -38.6 | 171 | -83.2 | -160.6 | 76.2 | 0 | 0 | 113.8 | S591 K597 | S591-E593 PolarHBondContact O-N 2.59Å; E593-K597 VanDerWaalsContact O-CB 3.25Å; E593-K597 WeakPolarHBondContact O-CB 3.46Å; E593-K597 WeakPolarHBondContact O-CD 3.39Å; E593-K597 VanDerWaalsContact O-CG 3.23Å; E593-K597 WeakPolarHBondContact O-CG 3.43Å; E593-K597 PolarHBondContact O-N 2.78Å; E593-K597 IonicContact OE1-NZ 2.64Å; E593-K597 PolarHBondContact OE1-NZ 3.39Å |
| 594 | C | 94.8 | Very high | 92.9 | Very high | 5 Ų | 5 | 78.1 Ų | 78.1 | 3% | 0.034 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -75.9 | -32 | 179.9 | -67 | 0 | 0 | 0 | 0 | 112.4 | C570 R572 Y589 C590 S591 N592 H598 | C570-C594 VanDerWaalsContact SG-CB 3.59Å; R572-C594 HydrophobicContact CB-CB 4.12Å; R572-C594 PolarHBondContact NH1-SG 3.27Å; Y589-C594 HydrophobicContact CD1-CB 4.49Å; C590-C594 PolarHBondContact SG-SG 3.12Å; S591-C594 WeakPolarHBondContact O-CB 3.21Å; S591-C594 PolarHBondContact O-N 3.02Å; S591-C594 PolarHBondContact OG-N 3.25Å; S591-C594 PolarHBondContact OG-SG 3.39Å; S591-C594 VanDerWaalsContact OG-SG 3.4Å; N592-C594 VanDerWaalsContact C-N 3.25Å; N592-C594 PolarHBondContact O-N 3.03Å; C594-H598 WeakPolarHBondContact O-CB 3.43Å; C594-H598 PolarHBondContact O-N 2.85Å |
| 595 | V | 94.5 | Very high | 93.2 | Very high | 26 Ų | 26 | 74.2 Ų | 74.2 | 16% | 0.158 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60 | -57.2 | 167.7 | -174.6 | 0 | 0 | 0 | 0 | 109.4 | W585 Y589 S591 N592 K597 H598 C599 | W585-V595 HydrophobicContact CB-CG2 4.38Å; W585-V595 HydrophobicContact CD2-CG2 3.6Å; W585-V595 HydrophobicContact CE3-CG2 3.7Å; W585-V595 HydrophobicContact CG-CG2 3.94Å; W585-V595 HydrophobicContact CZ3-CG2 4.23Å; Y589-V595 HydrophobicContact CD1-CB 4.48Å; Y589-V595 HydrophobicContact CD1-CG2 4.08Å; Y589-V595 HydrophobicContact CD2-CG2 3.79Å; Y589-V595 HydrophobicContact CG-CB 4.39Å; Y589-V595 HydrophobicContact CG-CG2 3.54Å; S591-V595 PolarHBondContact O-N 2.85Å; N592-V595 WeakPolarHBondContact O-CB 3.31Å; N592-V595 PolarHBondContact O-N 3.44Å; N592-V595 VanDerWaalsContact O-N 3.13Å; V595-K597 VanDerWaalsContact C-N 3.34Å; V595-K597 PolarHBondContact O-N 3.04Å; V595-H598 PolarHBondContact O-N 3.22Å; V595-C599 WeakPolarHBondContact O-CB 3.45Å; V595-C599 PolarHBondContact O-N 3.31Å; V595-C599 PolarHBondContact O-SG 2.91Å |
| 596 | V | 94.4 | Very high | 93.7 | Very high | 87 Ų | 87 | 77.8 Ų | 77.8 | 53% | 0.527 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | -176.1 | 173.7 | 0 | 0 | 0 | 0 | 112.2 | N592 R600 | N592-V596 WeakPolarHBondContact O-CG2 2.94Å; N592-V596 PolarHBondContact O-N 2.9Å; N592-V596 WeakPolarHBondContact OD1-CG2 3.31Å; V596-R600 WeakPolarHBondContact O-CB 3.47Å; V596-R600 PolarHBondContact O-N 3.05Å |
| 597 | K | 94.7 | Very high | 94 | Very high | 88 Ų | 88 | 73.7 Ų | 73.7 | 38% | 0.383 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.7 | -47 | 175.8 | -73.3 | 165.7 | 176.2 | 167.6 | 0 | 111.2 | E593 V595 C599 R600 D601 | E593-K597 VanDerWaalsContact O-CB 3.25Å; E593-K597 WeakPolarHBondContact O-CB 3.46Å; E593-K597 WeakPolarHBondContact O-CD 3.39Å; E593-K597 VanDerWaalsContact O-CG 3.23Å; E593-K597 WeakPolarHBondContact O-CG 3.43Å; E593-K597 PolarHBondContact O-N 2.78Å; E593-K597 IonicContact OE1-NZ 2.64Å; E593-K597 PolarHBondContact OE1-NZ 3.39Å; V595-K597 VanDerWaalsContact C-N 3.34Å; V595-K597 PolarHBondContact O-N 3.04Å; K597-C599 PolarHBondContact O-N 3.3Å; K597-R600 WeakPolarHBondContact O-CB 3.49Å; K597-R600 PolarHBondContact O-N 3Å; K597-R600 VanDerWaalsContact O-N 3.14Å; K597-D601 PolarHBondContact O-N 3.3Å |
| 598 | H | 95 | Very high | 94.2 | Very high | 39 Ų | 39 | 72.5 Ų | 72.5 | 18% | 0.181 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 175.6 | -175.6 | 70.8 | 0 | 0 | 0 | 112.7 | R572 Y589 C594 V595 R600 D601 V602 | R572-H598 HydrophobicContact CB-CB 4.18Å; R572-H598 HydrophobicContact CG-CB 4.05Å; Y589-H598 HydrophobicContact CD1-CB 4.48Å; Y589-H598 HydrophobicContact CE1-CB 3.73Å; Y589-H598 AromaticContact CE1-CD2 3.75Å; Y589-H598 AromaticContact CE1-CG 3.82Å; Y589-H598 AromaticContact CZ-CD2 3.89Å; Y589-H598 PolarHBondContact OH-CD2 3.39Å; C594-H598 WeakPolarHBondContact O-CB 3.43Å; C594-H598 PolarHBondContact O-N 2.85Å; V595-H598 PolarHBondContact O-N 3.22Å; H598-R600 VanDerWaalsContact C-N 3.31Å; H598-R600 PolarHBondContact O-N 3.44Å; H598-D601 PolarHBondContact O-N 3.24Å; H598-D601 VanDerWaalsContact O-N 3.15Å; H598-V602 WeakPolarHBondContact NE2-CG2 3.47Å; H598-V602 WeakPolarHBondContact O-CB 3.31Å; H598-V602 WeakPolarHBondContact O-CG2 3.22Å; H598-V602 PolarHBondContact O-N 2.83Å |
| 599 | C | 95 | Very high | 94.2 | Very high | 71 Ų | 71 | 73 Ų | 73 | 48% | 0.48 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 175.5 | -66.3 | 0 | 0 | 0 | 0 | 112.2 | V595 K597 F603 | V595-C599 WeakPolarHBondContact O-CB 3.45Å; V595-C599 PolarHBondContact O-N 3.31Å; V595-C599 PolarHBondContact O-SG 2.91Å; K597-C599 PolarHBondContact O-N 3.3Å; C599-F603 WeakPolarHBondContact O-CB 3.5Å; C599-F603 PolarHBondContact O-N 3.08Å |
| 600 | R | 95.5 | Very high | 93.8 | Very high | 171 Ų | 171 | 80.2 Ų | 80.2 | 65% | 0.645 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63.1 | -47.1 | 171.1 | 168.3 | -178.8 | -88.3 | -119.3 | 2 | 111.1 | V596 K597 H598 F603 L604 | V596-R600 WeakPolarHBondContact O-CB 3.47Å; V596-R600 PolarHBondContact O-N 3.05Å; K597-R600 WeakPolarHBondContact O-CB 3.49Å; K597-R600 PolarHBondContact O-N 3Å; K597-R600 VanDerWaalsContact O-N 3.14Å; H598-R600 VanDerWaalsContact C-N 3.31Å; H598-R600 PolarHBondContact O-N 3.44Å; R600-F603 PolarHBondContact O-N 2.96Å; R600-L604 HydrophobicContact CG-CD1 3.75Å; R600-L604 HydrophobicContact CG-CG 4.29Å; R600-L604 WeakPolarHBondContact O-CB 3.4Å; R600-L604 VanDerWaalsContact O-CG 3.29Å; R600-L604 WeakPolarHBondContact O-CG 3.34Å; R600-L604 PolarHBondContact O-N 3.31Å |
| 601 | D | 95.3 | Very high | 93 | Very high | 75 Ų | 75 | 82.9 Ų | 82.9 | 40% | 0.401 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | -176.7 | -60.4 | -29.1 | 0 | 0 | 0 | 111.4 | K597 H598 L604 A605 | K597-D601 PolarHBondContact O-N 3.3Å; H598-D601 PolarHBondContact O-N 3.24Å; H598-D601 VanDerWaalsContact O-N 3.15Å; D601-L604 PolarHBondContact O-N 2.91Å; D601-A605 WeakPolarHBondContact O-CB 2.9Å; D601-A605 PolarHBondContact O-N 3.49Å |
| 602 | V | 94.4 | Very high | 91.8 | Very high | 77 Ų | 77 | 85.5 Ų | 85.5 | 47% | 0.467 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 174.1 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | H598 A605 W606 | H598-V602 WeakPolarHBondContact NE2-CG2 3.47Å; H598-V602 WeakPolarHBondContact O-CB 3.31Å; H598-V602 WeakPolarHBondContact O-CG2 3.22Å; H598-V602 PolarHBondContact O-N 2.83Å; V602-A605 PolarHBondContact O-N 2.76Å; V602-W606 VanDerWaalsContact O-CB 3.28Å; V602-W606 WeakPolarHBondContact O-CB 3.22Å; V602-W606 PolarHBondContact O-N 2.74Å |
| 603 | F | 95.5 | Very high | 90.4 | Very high | 119 Ų | 119 | 88 Ų | 88 | 52% | 0.522 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 176.1 | 179.4 | -100.3 | 0 | 0 | 0 | 112.1 | C599 R600 W606 V607 | C599-F603 WeakPolarHBondContact O-CB 3.5Å; C599-F603 PolarHBondContact O-N 3.08Å; R600-F603 PolarHBondContact O-N 2.96Å; F603-W606 HydrophobicContact CD2-CE3 4.28Å; F603-W606 HydrophobicContact CE2-CE3 4.15Å; F603-W606 HydrophobicContact CE2-CZ3 4Å; F603-W606 PolarHBondContact O-N 2.81Å; F603-V607 HydrophobicContact CD1-CG2 4.11Å; F603-V607 HydrophobicContact CE1-CG2 3.67Å; F603-V607 HydrophobicContact CE2-CG2 4.12Å; F603-V607 HydrophobicContact CZ-CG2 3.67Å; F603-V607 WeakPolarHBondContact O-CG2 3.48Å; F603-V607 PolarHBondContact O-N 2.85Å |
| 604 | L | 94.9 | Very high | 88.7 | Confident | 91 Ų | 91 | 84.5 Ų | 84.5 | 48% | 0.476 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 177.3 | -71.9 | 171.9 | 0 | 0 | 0 | 111.8 | R600 D601 W606 V607 A608 | R600-L604 HydrophobicContact CG-CD1 3.75Å; R600-L604 HydrophobicContact CG-CG 4.29Å; R600-L604 WeakPolarHBondContact O-CB 3.4Å; R600-L604 VanDerWaalsContact O-CG 3.29Å; R600-L604 WeakPolarHBondContact O-CG 3.34Å; R600-L604 PolarHBondContact O-N 3.31Å; D601-L604 PolarHBondContact O-N 2.91Å; L604-W606 VanDerWaalsContact C-N 3.32Å; L604-W606 PolarHBondContact O-N 2.8Å; L604-V607 PolarHBondContact O-N 2.83Å; L604-A608 WeakPolarHBondContact O-CB 3.3Å; L604-A608 PolarHBondContact O-N 3.04Å |
| 605 | A | 93.5 | Very high | 86.7 | Confident | 56 Ų | 56 | 90 Ų | 90 | 46% | 0.463 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D601 V602 A608 S609 | D601-A605 WeakPolarHBondContact O-CB 2.9Å; D601-A605 PolarHBondContact O-N 3.49Å; V602-A605 PolarHBondContact O-N 2.76Å; A605-A608 PolarHBondContact O-N 3.35Å; A605-S609 WeakPolarHBondContact O-CB 3.2Å; A605-S609 PolarHBondContact O-N 3.42Å; A605-S609 PolarHBondContact O-OG 3.33Å |
| 606 | W | 95 | Very high | 84.9 | Confident | 124 Ų | 124 | 94.5 Ų | 94.5 | 47% | 0.47 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 177.4 | 177 | 98.4 | 0 | 0 | 0 | 112.8 | V602 F603 L604 S609 R610 | V602-W606 VanDerWaalsContact O-CB 3.28Å; V602-W606 WeakPolarHBondContact O-CB 3.22Å; V602-W606 PolarHBondContact O-N 2.74Å; F603-W606 HydrophobicContact CD2-CE3 4.28Å; F603-W606 HydrophobicContact CE2-CE3 4.15Å; F603-W606 HydrophobicContact CE2-CZ3 4Å; F603-W606 PolarHBondContact O-N 2.81Å; L604-W606 VanDerWaalsContact C-N 3.32Å; L604-W606 PolarHBondContact O-N 2.8Å; W606-S609 PolarHBondContact O-N 2.97Å; W606-R610 VanDerWaalsContact CZ2-NH1 3.35Å; W606-R610 WeakPolarHBondContact O-CB 3.49Å; W606-R610 WeakPolarHBondContact O-CG 3.31Å; W606-R610 PolarHBondContact O-N 2.9Å |
| 607 | V | 93 | Very high | 83.2 | Confident | 46 Ų | 46 | 97.3 Ų | 97.3 | 28% | 0.279 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -49 | 173.3 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | F603 L604 S609 R610 N611 | F603-V607 HydrophobicContact CD1-CG2 4.11Å; F603-V607 HydrophobicContact CE1-CG2 3.67Å; F603-V607 HydrophobicContact CE2-CG2 4.12Å; F603-V607 HydrophobicContact CZ-CG2 3.67Å; F603-V607 WeakPolarHBondContact O-CG2 3.48Å; F603-V607 PolarHBondContact O-N 2.85Å; L604-V607 PolarHBondContact O-N 2.83Å; V607-S609 VanDerWaalsContact C-N 3.26Å; V607-S609 PolarHBondContact O-N 2.91Å; V607-R610 PolarHBondContact O-N 2.86Å; V607-R610 VanDerWaalsContact O-N 3.13Å; V607-N611 PolarHBondContact O-N 2.98Å |
| 608 | A | 92.3 | Very high | 81.6 | Confident | 48 Ų | 48 | 100.2 Ų | 100.2 | 40% | 0.397 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.4 | -38 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L604 A605 R610 | L604-A608 WeakPolarHBondContact O-CB 3.3Å; L604-A608 PolarHBondContact O-N 3.04Å; A605-A608 PolarHBondContact O-N 3.35Å; A608-R610 VanDerWaalsContact C-N 3.35Å |
| 609 | S | 91.4 | Very high | 79.3 | Confident | 100 Ų | 100 | 110 Ų | 110 | 70% | 0.699 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.5 | -29.9 | 177.4 | -56.9 | 0 | 0 | 0 | 0 | 113.3 | A605 W606 V607 | A605-S609 WeakPolarHBondContact O-CB 3.2Å; A605-S609 PolarHBondContact O-N 3.42Å; A605-S609 PolarHBondContact O-OG 3.33Å; W606-S609 PolarHBondContact O-N 2.97Å; V607-S609 VanDerWaalsContact C-N 3.26Å; V607-S609 PolarHBondContact O-N 2.91Å |
| 610 | R | 88 | Confident | 78.6 | Confident | 172 Ų | 172 | 112 Ų | 112 | 65% | 0.649 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -90.9 | -24.1 | 179.9 | -78.6 | -170.5 | 168.7 | -150.2 | -3.9 | 114.2 | W606 V607 A608 | W606-R610 VanDerWaalsContact CZ2-NH1 3.35Å; W606-R610 WeakPolarHBondContact O-CB 3.49Å; W606-R610 WeakPolarHBondContact O-CG 3.31Å; W606-R610 PolarHBondContact O-N 2.9Å; V607-R610 PolarHBondContact O-N 2.86Å; V607-R610 VanDerWaalsContact O-N 3.13Å; A608-R610 VanDerWaalsContact C-N 3.35Å |
| 611 | N | 76.5 | Confident | 77.7 | Confident | 81 Ų | 81 | 108.8 Ų | 108.8 | 43% | 0.433 | 59% | 0.591 | S | S | . | * | trans | -135.7 | 71.1 | -174.6 | -140 | -3.1 | 0 | 0 | 0 | 110.2 | V607 N613 S614 | V607-N611 PolarHBondContact O-N 2.98Å; N611-N613 PolarHBondContact O-N 3.4Å; N611-S614 WeakPolarHBondContact CB-OG 3.23Å; N611-S614 VanDerWaalsContact ND2-CB 3.34Å; N611-S614 WeakPolarHBondContact ND2-CB 3.48Å; N611-S614 PolarHBondContact ND2-OG 2.89Å; N611-S614 PolarHBondContact O-N 2.55Å | ||
| 612 | P | 66.5 | Low | 76.7 | Confident | 96 Ų | 96 | 110.7 Ų | 110.7 | 62% | 0.623 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -22.7 | -178.2 | 23.8 | -34.7 | 0 | 0 | 0 | 112.9 | ||
| 613 | N | 63.2 | Low | 75.7 | Confident | 156 Ų | 156 | 112.7 Ų | 112.7 | 83% | 0.834 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 1.5 | 177.7 | -62.7 | -26.3 | 0 | 0 | 0 | 114.1 | N611 | N611-N613 PolarHBondContact O-N 3.4Š|
| 614 | S | 59.8 | Low | 74.4 | Confident | 46 Ų | 46 | 112.3 Ų | 112.3 | 32% | 0.322 | 62% | 0.615 | S | S | . | * | trans | -122.3 | 36.7 | -179.8 | 100.9 | 0 | 0 | 0 | 0 | 114.5 | N611 V616 | N611-S614 WeakPolarHBondContact CB-OG 3.23Å; N611-S614 VanDerWaalsContact ND2-CB 3.34Å; N611-S614 WeakPolarHBondContact ND2-CB 3.48Å; N611-S614 PolarHBondContact ND2-OG 2.89Å; N611-S614 PolarHBondContact O-N 2.55Å; S614-V616 PolarHBondContact O-N 3.1Å | ||
| 615 | V | 53.4 | Low | 73.1 | Confident | 121 Ų | 121 | 113.7 Ų | 113.7 | 73% | 0.733 | 62% | 0.624 | S | S | * | * | trans | -74.3 | 62.6 | 162.4 | -170.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 616 | V | 56.3 | Low | 71.6 | Confident | 120 Ų | 120 | 117.9 Ų | 117.9 | 73% | 0.727 | 64% | 0.636 | S | S | * | * | trans | -94.6 | 117.2 | 169.5 | -179.6 | 0 | 0 | 0 | 0 | 107.6 | S614 V618 | S614-V616 PolarHBondContact O-N 3.1Å; V616-V618 PolarHBondContact O-N 3.34Å | ||
| 617 | L | 58.6 | Low | 69.8 | Low | 147 Ų | 147 | 117.4 Ų | 117.4 | 77% | 0.77 | 65% | 0.648 | S | S | * | * | trans | -63.1 | 97.9 | -172.7 | -176.1 | 78.3 | 0 | 0 | 0 | 112.3 | K619 | L617-K619 HydrophobicContact CD2-CB 4.12Å; L617-K619 HydrophobicContact CD2-CD 4.49Å; L617-K619 HydrophobicContact CG-CB 4.02Å; L617-K619 PolarHBondContact O-N 3.37Å | ||
| 618 | V | 60 | Low | 67.9 | Low | 148 Ų | 148 | 123.3 Ų | 123.3 | 90% | 0.897 | 68% | 0.679 | S | S | * | * | trans | -80.4 | 96.3 | 159.6 | -176.7 | 0 | 0 | 0 | 0 | 107.6 | V616 | V616-V618 PolarHBondContact O-N 3.34Š| ||
| 619 | K | 48.5 | Very low | 65.6 | Low | 245 Ų | 245 | 130.2 Ų | 130.2 | 100% | 1.065 | 71% | 0.705 | S | S | * | * | trans | -97.4 | 0 | 177.4 | 178.2 | 170.3 | 180 | 174.1 | 0 | 111.3 | L617 | L617-K619 HydrophobicContact CD2-CB 4.12Å; L617-K619 HydrophobicContact CD2-CD 4.49Å; L617-K619 HydrophobicContact CG-CB 4.02Å; L617-K619 PolarHBondContact O-N 3.37Å |
Retrieved 619 of 619 residues in 113.7 ms
(Link to these results)