| 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 | 46.9 | Very low | 53.8 | Low | 242 Ų | 242 | 154.1 Ų | 154.1 | 100% | 1.192 | 88% | 0.879 | S | S | * | * | 0 | 114.8 | 0 | -72.7 | 171.8 | 152.6 | 0 | 0 | 106.6 | |||||
| 2 | P | 48.3 | Very low | 53.4 | Low | 134 Ų | 134 | 152.6 Ų | 152.6 | 87% | 0.87 | 87% | 0.874 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 143 | 171.8 | 21.2 | -6.7 | 0 | 0 | 0 | 111 | ||
| 3 | E | 56.4 | Low | 52.7 | Low | 187 Ų | 187 | 151.2 Ų | 151.2 | 87% | 0.874 | 87% | 0.87 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 157.4 | -178.1 | -67.3 | -170.3 | 119.7 | 0 | 0 | 113.5 | ||
| 4 | P | 56.4 | Low | 52.5 | Low | 125 Ų | 125 | 154.9 Ų | 154.9 | 81% | 0.812 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 131.8 | 179.3 | 31.3 | -32.9 | 0 | 0 | 0 | 112.2 | E6 | P4-E6 PolarHBondContact O-N 3.27Š|
| 5 | S | 63.1 | Low | 52.1 | Low | 115 Ų | 115 | 152.8 Ų | 152.8 | 80% | 0.804 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 125.3 | 176.4 | -164 | 0 | 0 | 0 | 0 | 111.2 | M7 | S5-M7 PolarHBondContact O-N 3.03Š|
| 6 | E | 57.2 | Low | 51.7 | Low | 188 Ų | 188 | 151.2 Ų | 151.2 | 88% | 0.879 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 124.5 | 171.1 | -61.5 | -177.8 | 106.3 | 0 | 0 | 109.9 | P4 S8 | P4-E6 PolarHBondContact O-N 3.27Å; E6-S8 PolarHBondContact O-N 3.38Å |
| 7 | M | 57 | Low | 50.8 | Low | 193 Ų | 193 | 147.4 Ų | 147.4 | 95% | 0.951 | 86% | 0.862 | S | S | * | * | trans | -81.2 | 111.1 | 176.5 | -66.2 | 178.5 | 179.8 | 0 | 0 | 109 | S5 | S5-M7 PolarHBondContact O-N 3.03Š| ||
| 8 | S | 54.3 | Low | 49.8 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 87% | 0.867 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 121.6 | 169.6 | -76.9 | 0 | 0 | 0 | 0 | 110.4 | E6 | E6-S8 PolarHBondContact O-N 3.38Š|
| 9 | G | 55.1 | Low | 49.2 | Very low | 65 Ų | 65 | 140.3 Ų | 140.3 | 67% | 0.67 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 157.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 10 | P | 55.1 | Low | 48.6 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 86% | 0.864 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 138.1 | -177.1 | 29.8 | -32.4 | 0 | 0 | 0 | 112.2 | ||
| 11 | E | 41.9 | Very low | 48.6 | Very low | 189 Ų | 189 | 137.5 Ų | 137.5 | 88% | 0.883 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 133.8 | -178.2 | -163.7 | -177.5 | 113 | 0 | 0 | 111.5 | V13 | E11-V13 PolarHBondContact O-N 3.15Š|
| 12 | V | 49.7 | Very low | 48.2 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 82% | 0.824 | 83% | 0.834 | S | S | * | * | trans | -70.3 | 115 | 176.8 | -73.9 | 0 | 0 | 0 | 0 | 110.8 | K14 | V12-K14 PolarHBondContact O-N 3.03Š| ||
| 13 | V | 44.2 | Very low | 47.8 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -70.3 | 124.6 | 176.1 | 75.3 | 0 | 0 | 0 | 0 | 110.1 | E11 | E11-V13 PolarHBondContact O-N 3.15Š| ||
| 14 | K | 49.1 | Very low | 47.4 | Very low | 203 Ų | 203 | 132.6 Ų | 132.6 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | trans | -101.1 | 111.6 | 178.1 | -135.2 | 176.9 | -178.5 | 179 | 0 | 108.3 | V12 | V12-K14 PolarHBondContact O-N 3.03Š| ||
| 15 | T | 46.9 | Very low | 46.6 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | trans | -92.5 | 141.8 | 169.9 | 51.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 16 | P | 45.3 | Very low | 45.8 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | -93.6 | 125.8 | -174.9 | 34.2 | -30.1 | 0 | 0 | 0 | 112.7 | ||||
| 17 | G | 36.7 | Very low | 45.2 | Very low | 86 Ų | 86 | 134 Ų | 134 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | trans | 49.6 | 117.2 | 130.2 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 18 | G | 32.8 | Very low | 44.6 | Very low | 86 Ų | 86 | 130.4 Ų | 130.4 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | trans | -132 | 115.6 | 146 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 19 | G | 38.2 | Very low | 44.2 | Very low | 75 Ų | 75 | 131.2 Ų | 131.2 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -103.9 | 170 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 20 | A | 37.9 | Very low | 43.8 | Very low | 99 Ų | 99 | 132.6 Ų | 132.6 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | 90.5 | 169.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 21 | P | 47.3 | Very low | 43.5 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 80% | 0.799 | 83% | 0.826 | S | S | * | * | -129.4 | 151.5 | -82.3 | 35.2 | -19 | 0 | 0 | 0 | 113.7 | |||||
| 22 | G | 39.1 | Very low | 43.6 | Very low | 75 Ų | 75 | 127 Ų | 127 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | 78.7 | 146.2 | 146.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 23 | K | 39.3 | Very low | 43.8 | Very low | 189 Ų | 189 | 125.6 Ų | 125.6 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | 89.1 | 99.7 | 160.6 | -59.8 | -166.6 | 175.5 | -172.2 | 0 | 118.4 | ||||
| 24 | E | 48.2 | Very low | 43.9 | Very low | 195 Ų | 195 | 124.4 Ų | 124.4 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | 48.9 | 93.6 | 120.6 | -57 | 177.7 | 177.3 | 0 | 0 | 116.4 | |||||
| 25 | G | 39.1 | Very low | 43.8 | Very low | 67 Ų | 67 | 117.3 Ų | 117.3 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | 175.8 | 88.8 | 166 | 0 | 0 | 0 | 0 | 0 | 107.6 | E27 | G25-E27 PolarHBondContact O-N 3.47Š| ||
| 26 | K | 47 | Very low | 44.1 | Very low | 214 Ų | 214 | 120.8 Ų | 120.8 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | trans | -70.1 | 82.9 | 169.2 | -81.6 | -171 | 171.2 | -164.8 | 0 | 107.7 | ||||
| 27 | E | 44.5 | Very low | 43.9 | Very low | 176 Ų | 176 | 117.7 Ų | 117.7 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -91.1 | 118.2 | 152.4 | -68.6 | -174.3 | 107 | 0 | 0 | 105.8 | G25 V29 | G25-E27 PolarHBondContact O-N 3.47Å; E27-V29 PolarHBondContact O-N 3.15Å; E27-V29 VanDerWaalsContact O-N 3.11Å | ||
| 28 | P | 45.6 | Very low | 44.6 | Very low | 119 Ų | 119 | 121.5 Ų | 121.5 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -64.4 | 117.1 | 168.7 | 27.9 | -29.2 | 0 | 0 | 0 | 106.3 | A30 | P28-A30 PolarHBondContact O-N 3.14Š| ||
| 29 | V | 44.2 | Very low | 45.5 | Very low | 141 Ų | 141 | 126 Ų | 126 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | -61.2 | 91.3 | 162.1 | -79.2 | 0 | 0 | 0 | 0 | 106.6 | E27 N31 | E27-V29 PolarHBondContact O-N 3.15Å; E27-V29 VanDerWaalsContact O-N 3.11Å; V29-N31 PolarHBondContact O-N 3.4Å | ||
| 30 | A | 47.4 | Very low | 46.3 | Very low | 94 Ų | 94 | 124.8 Ų | 124.8 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | trans | -71.2 | 81.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | P28 G32 | P28-A30 PolarHBondContact O-N 3.14Å; A30-G32 VanDerWaalsContact C-N 3.29Å | ||
| 31 | N | 48.9 | Very low | 47.1 | Very low | 158 Ų | 158 | 123.7 Ų | 123.7 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | -101.5 | 62.4 | 160.8 | -157.3 | 75.6 | 0 | 0 | 0 | 106.8 | V29 | V29-N31 PolarHBondContact O-N 3.4Š| ||
| 32 | G | 44.2 | Very low | 48 | Very low | 45 Ų | 45 | 125.5 Ų | 125.5 | 46% | 0.464 | 76% | 0.756 | S | S | . | * | S | Bend | trans | -149.8 | 128.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | A30 P34 | A30-G32 VanDerWaalsContact C-N 3.29Å; G32-P34 WeakPolarHBondContact O-CD 3.33Å |
| 33 | H | 53.8 | Low | 49.7 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 50% | 0.495 | 74% | 0.739 | S | S | . | * | trans | -51.2 | 117.1 | 175.7 | -172.2 | 1.4 | 0 | 0 | 0 | 110.6 | G35 Q60 E64 | H33-G35 PolarHBondContact ND1-N 3.16Å; H33-G35 PolarHBondContact O-N 3.27Å; H33-Q60 PolarHBondContact NE2-NE2 3.21Å; H33-E64 IonicContact CD2-OE1 2.62Å; H33-E64 IonicContact CE1-OE1 2.61Å; H33-E64 IonicContact NE2-OE1 3.22Å; H33-E64 PolarHBondContact NE2-OE1 3.02Å | ||
| 34 | P | 47.2 | Very low | 51.8 | Low | 110 Ų | 110 | 121.6 Ų | 121.6 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | trans | -81.5 | 72.1 | 169.2 | 34.5 | -28.7 | 0 | 0 | 0 | 107.9 | G32 E36 | G32-P34 WeakPolarHBondContact O-CD 3.33Å; P34-E36 VanDerWaalsContact C-N 3.32Å; P34-E36 PolarHBondContact O-N 3.39Å | ||
| 35 | G | 45.1 | Very low | 53.5 | Low | 55 Ų | 55 | 118.3 Ų | 118.3 | 57% | 0.567 | 72% | 0.715 | S | S | * | * | trans | -76.1 | 85.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.5 | H33 G37 | H33-G35 PolarHBondContact ND1-N 3.16Å; H33-G35 PolarHBondContact O-N 3.27Å; G35-G37 PolarHBondContact O-N 3.27Å | ||
| 36 | E | 54.7 | Low | 55.4 | Low | 196 Ų | 196 | 117 Ų | 117 | 92% | 0.916 | 70% | 0.698 | S | S | * | * | trans | -66.3 | 112.1 | 169.2 | -79.1 | 170.9 | 110.9 | 0 | 0 | 110.1 | P34 | P34-E36 VanDerWaalsContact C-N 3.32Å; P34-E36 PolarHBondContact O-N 3.39Å | ||
| 37 | G | 41.5 | Very low | 56.6 | Low | 61 Ų | 61 | 114 Ų | 114 | 63% | 0.629 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -170.7 | 62.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G35 Q39 | G35-G37 PolarHBondContact O-N 3.27Å; G37-Q39 VanDerWaalsContact C-N 3.26Å; G37-Q39 PolarHBondContact O-N 2.61Å |
| 38 | D | 50.9 | Low | 58.2 | Low | 167 Ų | 167 | 114.2 Ų | 114.2 | 89% | 0.893 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 55 | -3.5 | 155.5 | -158.6 | 57.8 | 0 | 0 | 0 | 121 | ||
| 39 | Q | 52.3 | Low | 59.8 | Low | 179 Ų | 179 | 112.7 Ų | 112.7 | 84% | 0.836 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -139.4 | 0.1 | 179 | -70.1 | -173.7 | 93.6 | 0 | 0 | 116 | G37 | G37-Q39 VanDerWaalsContact C-N 3.26Å; G37-Q39 PolarHBondContact O-N 2.61Å |
| 40 | G | 53.2 | Low | 61.5 | Low | 51 Ų | 51 | 113 Ų | 113 | 53% | 0.526 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -103.9 | -6.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 41 | G | 55.5 | Low | 63 | Low | 76 Ų | 76 | 114.7 Ų | 114.7 | 78% | 0.784 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -84.9 | -16.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 42 | D | 65.4 | Low | 64.4 | Low | 160 Ų | 160 | 114.3 Ų | 114.3 | 86% | 0.856 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -108.2 | -14.8 | -169.5 | -68.1 | -42.8 | 0 | 0 | 0 | 114.1 | P44 | D42-P44 WeakPolarHBondContact O-CD 3.15Š|
| 43 | D | 75.8 | Confident | 66.2 | Low | 77 Ų | 77 | 116.6 Ų | 116.6 | 41% | 0.412 | 64% | 0.64 | S | S | . | * | trans | -95.7 | 109.9 | 177.7 | -176.6 | 7.7 | 0 | 0 | 0 | 111 | F45 A46 | D43-F45 PolarHBondContact O-N 3.08Å; D43-F45 PolarHBondContact OD1-N 2.89Å; D43-A46 HydrophobicContact CB-CB 4.3Å; D43-A46 WeakPolarHBondContact O-CB 3.35Å; D43-A46 PolarHBondContact O-N 3.22Å | ||
| 44 | P | 83.6 | Confident | 67.7 | Low | 106 Ų | 106 | 116 Ų | 116 | 69% | 0.688 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -7.1 | 177.3 | 28 | -35.6 | 0 | 0 | 0 | 113.8 | D42 | D42-P44 WeakPolarHBondContact O-CD 3.15Š|
| 45 | F | 83.3 | Confident | 69.6 | Low | 126 Ų | 126 | 117.2 Ų | 117.2 | 55% | 0.553 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | 2.9 | 175.8 | -56.2 | -74.1 | 0 | 0 | 0 | 114.4 | D43 E47 Y48 M49 | D43-F45 PolarHBondContact O-N 3.08Å; D43-F45 PolarHBondContact OD1-N 2.89Å; F45-E47 PolarHBondContact O-N 3.23Å; F45-E47 VanDerWaalsContact O-N 3.14Å; F45-Y48 HydrophobicContact CD1-CD2 4.31Å; F45-Y48 WeakPolarHBondContact O-CA 3.29Å; F45-Y48 WeakPolarHBondContact O-CB 3.24Å; F45-Y48 PolarHBondContact O-N 3.07Å; F45-M49 PolarHBondContact O-N 3.39Å; F45-M49 VanDerWaalsContact O-N 3.15Å |
| 46 | A | 79.4 | Confident | 71.6 | Confident | 40 Ų | 40 | 118.6 Ų | 118.6 | 33% | 0.331 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -52.3 | -40.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D43 Y48 M49 | D43-A46 HydrophobicContact CB-CB 4.3Å; D43-A46 WeakPolarHBondContact O-CB 3.35Å; D43-A46 PolarHBondContact O-N 3.22Å; A46-Y48 VanDerWaalsContact C-N 3.28Å; A46-Y48 PolarHBondContact O-N 3.24Å; A46-M49 PolarHBondContact O-N 3.42Å |
| 47 | E | 71.9 | Confident | 73.2 | Confident | 151 Ų | 151 | 114.9 Ų | 114.9 | 71% | 0.706 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -67.7 | -25.3 | 178 | -168.3 | 165.7 | -172.7 | 0 | 0 | 113.4 | F45 | F45-E47 PolarHBondContact O-N 3.23Å; F45-E47 VanDerWaalsContact O-N 3.14Å |
| 48 | Y | 78.5 | Confident | 75.6 | Confident | 179 Ų | 179 | 115 Ų | 115 | 70% | 0.702 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -86.4 | -18.6 | 175.6 | -64.1 | -73.1 | 0 | 0 | 0 | 113.2 | F45 A46 W50 | F45-Y48 HydrophobicContact CD1-CD2 4.31Å; F45-Y48 WeakPolarHBondContact O-CA 3.29Å; F45-Y48 WeakPolarHBondContact O-CB 3.24Å; F45-Y48 PolarHBondContact O-N 3.07Å; A46-Y48 VanDerWaalsContact C-N 3.28Å; A46-Y48 PolarHBondContact O-N 3.24Å; Y48-W50 VanDerWaalsContact C-N 3.34Å |
| 49 | M | 79.8 | Confident | 77.7 | Confident | 87 Ų | 87 | 114.6 Ų | 114.6 | 43% | 0.429 | 59% | 0.586 | S | S | . | * | trans | -90.5 | 5.9 | 179.5 | -62.9 | -62.3 | -67.4 | 0 | 0 | 113.4 | F45 A46 M51 E52 | F45-M49 PolarHBondContact O-N 3.39Å; F45-M49 VanDerWaalsContact O-N 3.15Å; A46-M49 PolarHBondContact O-N 3.42Å; M49-M51 PolarHBondContact O-N 2.96Å; M49-E52 HydrophobicContact CE-CB 4.46Å; M49-E52 WeakPolarHBondContact CE-OE2 3.31Å; M49-E52 PolarHBondContact O-N 2.99Å | ||
| 50 | W | 79.7 | Confident | 79.6 | Confident | 147 Ų | 147 | 109.4 Ų | 109.4 | 56% | 0.557 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.5 | -29.8 | 178.7 | 71.4 | -73.7 | 0 | 0 | 0 | 114.3 | Y48 N53 E54 | Y48-W50 VanDerWaalsContact C-N 3.34Å; W50-N53 CarbonylContact O-C 3.28Å; W50-N53 VanDerWaalsContact O-C 3.28Å; W50-N53 PolarHBondContact O-N 2.62Å; W50-E54 WeakPolarHBondContact O-CA 3.26Å; W50-E54 PolarHBondContact O-N 3.35Å |
| 51 | M | 78.3 | Confident | 81.6 | Confident | 131 Ų | 131 | 109.1 Ų | 109.1 | 65% | 0.645 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -26.8 | 178.7 | -158.6 | -171.7 | -37.4 | 0 | 0 | 113.5 | M49 N53 | M49-M51 PolarHBondContact O-N 2.96Å; M51-N53 VanDerWaalsContact C-N 3.32Å |
| 52 | E | 79.4 | Confident | 83.5 | Confident | 150 Ų | 150 | 111.5 Ų | 111.5 | 70% | 0.701 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -28 | 174.3 | -175 | 170.4 | -158 | 0 | 0 | 111.4 | M49 | M49-E52 HydrophobicContact CE-CB 4.46Å; M49-E52 WeakPolarHBondContact CE-OE2 3.31Å; M49-E52 PolarHBondContact O-N 2.99Å |
| 53 | N | 80.2 | Confident | 85 | Confident | 93 Ų | 93 | 108.6 Ų | 108.6 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 26.2 | 177.2 | -84 | 95.9 | 0 | 0 | 0 | 112.7 | W50 M51 D55 V56 Y57 | W50-N53 CarbonylContact O-C 3.28Å; W50-N53 VanDerWaalsContact O-C 3.28Å; W50-N53 PolarHBondContact O-N 2.62Å; M51-N53 VanDerWaalsContact C-N 3.32Å; N53-D55 VanDerWaalsContact C-N 3.26Å; N53-D55 PolarHBondContact O-N 3.37Å; N53-V56 HydrophobicContact CB-CB 4.38Å; N53-V56 HydrophobicContact CB-CG2 4.49Å; N53-V56 WeakPolarHBondContact O-CA 3.26Å; N53-V56 WeakPolarHBondContact O-CB 3.27Å; N53-V56 PolarHBondContact O-N 2.93Å; N53-Y57 PolarHBondContact O-N 2.96Å; N53-Y57 VanDerWaalsContact O-N 3.09Å |
| 54 | E | 85.8 | Confident | 85.9 | Confident | 94 Ų | 94 | 108.6 Ų | 108.6 | 44% | 0.439 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -53.8 | -42.9 | -175.3 | -178.7 | -179.8 | -166.9 | 0 | 0 | 111.9 | W50 V56 Y57 N58 | W50-E54 WeakPolarHBondContact O-CA 3.26Å; W50-E54 PolarHBondContact O-N 3.35Å; E54-V56 VanDerWaalsContact C-N 3.27Å; E54-V56 PolarHBondContact O-N 3.22Å; E54-Y57 PolarHBondContact O-N 3.17Å; E54-N58 WeakPolarHBondContact O-CB 3.36Å; E54-N58 VanDerWaalsContact O-CG 3.27Å; E54-N58 PolarHBondContact O-N 2.84Å; E54-N58 PolarHBondContact O-ND2 2.97Å |
| 55 | D | 86.8 | Confident | 86.6 | Confident | 135 Ų | 135 | 108 Ų | 108 | 72% | 0.722 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.3 | -32.6 | 178.1 | -68.1 | -33 | 0 | 0 | 0 | 113 | N53 R59 | N53-D55 VanDerWaalsContact C-N 3.26Å; N53-D55 PolarHBondContact O-N 3.37Å; D55-R59 VanDerWaalsContact O-CB 3.3Å; D55-R59 WeakPolarHBondContact O-CB 3.36Å; D55-R59 PolarHBondContact O-N 3.17Å; D55-R59 VanDerWaalsContact O-N 3.11Å |
| 56 | V | 87.6 | Confident | 87.2 | Confident | 85 Ų | 85 | 107.3 Ų | 107.3 | 52% | 0.515 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -74.5 | -42.7 | 178.4 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | N53 E54 R59 Q60 | N53-V56 HydrophobicContact CB-CB 4.38Å; N53-V56 HydrophobicContact CB-CG2 4.49Å; N53-V56 WeakPolarHBondContact O-CA 3.26Å; N53-V56 WeakPolarHBondContact O-CB 3.27Å; N53-V56 PolarHBondContact O-N 2.93Å; E54-V56 VanDerWaalsContact C-N 3.27Å; E54-V56 PolarHBondContact O-N 3.22Å; V56-R59 PolarHBondContact O-N 2.86Å; V56-Q60 WeakPolarHBondContact O-CB 3.21Å; V56-Q60 PolarHBondContact O-N 3.46Å |
| 57 | Y | 88.7 | Confident | 88.1 | Confident | 117 Ų | 117 | 111.1 Ų | 111.1 | 46% | 0.459 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.6 | -48.4 | 175.1 | 176.1 | -94.8 | 0 | 0 | 0 | 111.4 | N53 E54 R59 Q60 V61 | N53-Y57 PolarHBondContact O-N 2.96Å; N53-Y57 VanDerWaalsContact O-N 3.09Å; E54-Y57 PolarHBondContact O-N 3.17Å; Y57-R59 VanDerWaalsContact C-N 3.31Å; Y57-R59 PolarHBondContact O-N 3.4Å; Y57-Q60 PolarHBondContact O-N 2.92Å; Y57-Q60 VanDerWaalsContact O-N 3.13Å; Y57-V61 HydrophobicContact CD1-CG2 4.1Å; Y57-V61 HydrophobicContact CD2-CG2 4.38Å; Y57-V61 HydrophobicContact CE1-CG2 3.63Å; Y57-V61 HydrophobicContact CE2-CG2 3.95Å; Y57-V61 HydrophobicContact CG-CG2 4.45Å; Y57-V61 WeakPolarHBondContact O-CG2 2.86Å; Y57-V61 PolarHBondContact O-N 3.41Å |
| 58 | N | 91.4 | Very high | 89.2 | Confident | 63 Ų | 63 | 109.4 Ų | 109.4 | 34% | 0.337 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.2 | -45.6 | 178.9 | -73.2 | -17.6 | 0 | 0 | 0 | 111.2 | E54 Q60 V61 E62 | E54-N58 WeakPolarHBondContact O-CB 3.36Å; E54-N58 VanDerWaalsContact O-CG 3.27Å; E54-N58 PolarHBondContact O-N 2.84Å; E54-N58 PolarHBondContact O-ND2 2.97Å; N58-Q60 PolarHBondContact O-N 3.41Å; N58-V61 PolarHBondContact O-N 3.12Å; N58-E62 WeakPolarHBondContact O-CB 3.36Å; N58-E62 VanDerWaalsContact O-CG 3.32Å; N58-E62 WeakPolarHBondContact O-CG 3.25Å; N58-E62 PolarHBondContact O-N 3.33Å |
| 59 | R | 94.6 | Very high | 90.1 | Very high | 160 Ų | 160 | 107.1 Ų | 107.1 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.1 | -43.7 | 175.9 | -179.8 | 176.4 | 172.7 | -178.1 | -2.6 | 112.3 | D55 V56 Y57 E62 E63 | D55-R59 VanDerWaalsContact O-CB 3.3Å; D55-R59 WeakPolarHBondContact O-CB 3.36Å; D55-R59 PolarHBondContact O-N 3.17Å; D55-R59 VanDerWaalsContact O-N 3.11Å; V56-R59 PolarHBondContact O-N 2.86Å; Y57-R59 VanDerWaalsContact C-N 3.31Å; Y57-R59 PolarHBondContact O-N 3.4Å; R59-E62 PolarHBondContact O-N 2.91Å; R59-E63 HydrophobicContact CG-CG 4.46Å; R59-E63 IonicContact CZ-OE1 3.68Å; R59-E63 IonicContact NE-OE1 2.83Å; R59-E63 PolarHBondContact NE-OE1 2.88Å; R59-E63 IonicContact NH2-OE1 3.07Å; R59-E63 PolarHBondContact NH2-OE1 3.47Å; R59-E63 VanDerWaalsContact NH2-OE1 3.07Å; R59-E63 WeakPolarHBondContact O-CB 3.26Å; R59-E63 WeakPolarHBondContact O-CG 3.49Å; R59-E63 PolarHBondContact O-N 2.77Å |
| 60 | Q | 93.8 | Very high | 91 | Very high | 70 Ų | 70 | 109.5 Ų | 109.5 | 33% | 0.327 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 178.3 | -177.3 | 176.6 | 10.1 | 0 | 0 | 111.4 | H33 V56 Y57 N58 E62 E63 E64 | H33-Q60 PolarHBondContact NE2-NE2 3.21Å; V56-Q60 WeakPolarHBondContact O-CB 3.21Å; V56-Q60 PolarHBondContact O-N 3.46Å; Y57-Q60 PolarHBondContact O-N 2.92Å; Y57-Q60 VanDerWaalsContact O-N 3.13Å; N58-Q60 PolarHBondContact O-N 3.41Å; Q60-E62 VanDerWaalsContact C-N 3.33Å; Q60-E62 PolarHBondContact O-N 3.17Å; Q60-E63 PolarHBondContact O-N 2.98Å; Q60-E64 PolarHBondContact NE2-OE1 3.29Å; Q60-E64 WeakPolarHBondContact O-CG 3.39Å; Q60-E64 PolarHBondContact O-N 3.38Å |
| 61 | V | 94.9 | Very high | 91.9 | Very high | 45 Ų | 45 | 106 Ų | 106 | 27% | 0.273 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 176.8 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | Y57 N58 E64 L65 | Y57-V61 HydrophobicContact CD1-CG2 4.1Å; Y57-V61 HydrophobicContact CD2-CG2 4.38Å; Y57-V61 HydrophobicContact CE1-CG2 3.63Å; Y57-V61 HydrophobicContact CE2-CG2 3.95Å; Y57-V61 HydrophobicContact CG-CG2 4.45Å; Y57-V61 WeakPolarHBondContact O-CG2 2.86Å; Y57-V61 PolarHBondContact O-N 3.41Å; N58-V61 PolarHBondContact O-N 3.12Å; V61-E64 PolarHBondContact O-N 3.35Å; V61-L65 HydrophobicContact CG1-CD1 4.23Å; V61-L65 WeakPolarHBondContact O-CG 3.39Å; V61-L65 PolarHBondContact O-N 2.91Å |
| 62 | E | 95.3 | Very high | 92.8 | Very high | 125 Ų | 125 | 106.3 Ų | 106.3 | 58% | 0.584 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.4 | -43.2 | 174.1 | -74.9 | 175.5 | -173.9 | 0 | 0 | 111.9 | N58 R59 Q60 L65 L66 | N58-E62 WeakPolarHBondContact O-CB 3.36Å; N58-E62 VanDerWaalsContact O-CG 3.32Å; N58-E62 WeakPolarHBondContact O-CG 3.25Å; N58-E62 PolarHBondContact O-N 3.33Å; R59-E62 PolarHBondContact O-N 2.91Å; Q60-E62 VanDerWaalsContact C-N 3.33Å; Q60-E62 PolarHBondContact O-N 3.17Å; E62-L65 PolarHBondContact O-N 2.77Å; E62-L66 VanDerWaalsContact O-CG 3.3Å; E62-L66 WeakPolarHBondContact O-CG 3.27Å; E62-L66 PolarHBondContact O-N 2.98Å |
| 63 | E | 96 | Very high | 93.6 | Very high | 99 Ų | 99 | 108 Ų | 108 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 176.4 | -74.3 | 177.3 | -177.4 | 0 | 0 | 111.5 | R59 Q60 L66 E67 | R59-E63 HydrophobicContact CG-CG 4.46Å; R59-E63 IonicContact CZ-OE1 3.68Å; R59-E63 IonicContact NE-OE1 2.83Å; R59-E63 PolarHBondContact NE-OE1 2.88Å; R59-E63 IonicContact NH2-OE1 3.07Å; R59-E63 PolarHBondContact NH2-OE1 3.47Å; R59-E63 VanDerWaalsContact NH2-OE1 3.07Å; R59-E63 WeakPolarHBondContact O-CB 3.26Å; R59-E63 WeakPolarHBondContact O-CG 3.49Å; R59-E63 PolarHBondContact O-N 2.77Å; Q60-E63 PolarHBondContact O-N 2.98Å; E63-L66 PolarHBondContact O-N 3.38Å; E63-E67 PolarHBondContact O-N 2.88Å |
| 64 | E | 95.6 | Very high | 94.4 | Very high | 78 Ų | 78 | 105.6 Ų | 105.6 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 175.3 | -73.9 | 175.7 | -167.1 | 0 | 0 | 111.9 | H33 Q60 V61 L66 E67 Q68 | H33-E64 IonicContact CD2-OE1 2.62Å; H33-E64 IonicContact CE1-OE1 2.61Å; H33-E64 IonicContact NE2-OE1 3.22Å; H33-E64 PolarHBondContact NE2-OE1 3.02Å; Q60-E64 PolarHBondContact NE2-OE1 3.29Å; Q60-E64 WeakPolarHBondContact O-CG 3.39Å; Q60-E64 PolarHBondContact O-N 3.38Å; V61-E64 PolarHBondContact O-N 3.35Å; E64-L66 PolarHBondContact O-N 3.17Å; E64-E67 PolarHBondContact O-N 3.25Å; E64-Q68 WeakPolarHBondContact O-CG 3.34Å; E64-Q68 PolarHBondContact O-N 3.35Å |
| 65 | L | 96.9 | Very high | 94.8 | Very high | 93 Ų | 93 | 107 Ų | 107 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 175.8 | -75.4 | 168.9 | 0 | 0 | 0 | 112.1 | V61 E62 Q68 E69 | V61-L65 HydrophobicContact CG1-CD1 4.23Å; V61-L65 WeakPolarHBondContact O-CG 3.39Å; V61-L65 PolarHBondContact O-N 2.91Å; E62-L65 PolarHBondContact O-N 2.77Å; L65-Q68 PolarHBondContact O-N 2.82Å; L65-E69 PolarHBondContact O-N 2.95Å |
| 66 | L | 97.4 | Very high | 95.1 | Very high | 111 Ų | 111 | 105.2 Ų | 105.2 | 58% | 0.581 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.5 | -39.6 | 175.7 | -73.5 | 169.7 | 0 | 0 | 0 | 112 | E62 E63 E64 E69 F70 | E62-L66 VanDerWaalsContact O-CG 3.3Å; E62-L66 WeakPolarHBondContact O-CG 3.27Å; E62-L66 PolarHBondContact O-N 2.98Å; E63-L66 PolarHBondContact O-N 3.38Å; E64-L66 PolarHBondContact O-N 3.17Å; L66-E69 PolarHBondContact O-N 3.22Å; L66-F70 WeakPolarHBondContact O-CB 3.38Å; L66-F70 PolarHBondContact O-N 3.41Å |
| 67 | E | 96.9 | Very high | 95.3 | Very high | 120 Ų | 120 | 106.6 Ų | 106.6 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.3 | -42.2 | 174.5 | -175 | 177.4 | 179.5 | 0 | 0 | 111.3 | E63 E64 F70 L71 | E63-E67 PolarHBondContact O-N 2.88Å; E64-E67 PolarHBondContact O-N 3.25Å; E67-F70 WeakPolarHBondContact O-CB 3.38Å; E67-F70 PolarHBondContact O-N 3.11Å; E67-L71 HydrophobicContact CG-CD1 4.17Å; E67-L71 HydrophobicContact CG-CG 4.45Å; E67-L71 WeakPolarHBondContact O-CG 3.05Å; E67-L71 PolarHBondContact O-N 2.93Å |
| 68 | Q | 96.8 | Very high | 95.3 | Very high | 115 Ų | 115 | 106.8 Ų | 106.8 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.6 | -48.9 | 175.2 | -73.6 | -177.5 | -58.1 | 0 | 0 | 111.8 | E64 L65 F70 L71 E72 | E64-Q68 WeakPolarHBondContact O-CG 3.34Å; E64-Q68 PolarHBondContact O-N 3.35Å; L65-Q68 PolarHBondContact O-N 2.82Å; Q68-F70 VanDerWaalsContact C-N 3.28Å; Q68-F70 PolarHBondContact O-N 3.49Å; Q68-L71 PolarHBondContact O-N 3.29Å; Q68-E72 WeakPolarHBondContact O-CG 3.31Å; Q68-E72 PolarHBondContact O-N 3.48Å |
| 69 | E | 96.8 | Very high | 95.1 | Very high | 132 Ų | 132 | 107.9 Ų | 107.9 | 62% | 0.617 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.1 | -38.1 | 177 | -73.4 | -175.3 | -176.4 | 0 | 0 | 112.4 | L65 L66 R73 | L65-E69 PolarHBondContact O-N 2.95Å; L66-E69 PolarHBondContact O-N 3.22Å; E69-R73 PolarHBondContact O-N 2.84Å; E69-R73 VanDerWaalsContact O-N 3.1Å |
| 70 | F | 98.1 | Very high | 94.8 | Very high | 136 Ų | 136 | 103.7 Ų | 103.7 | 60% | 0.596 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.1 | -48.6 | 176.4 | 172.6 | -98.9 | 0 | 0 | 0 | 111.9 | L66 E67 Q68 E72 R73 C74 | L66-F70 WeakPolarHBondContact O-CB 3.38Å; L66-F70 PolarHBondContact O-N 3.41Å; E67-F70 WeakPolarHBondContact O-CB 3.38Å; E67-F70 PolarHBondContact O-N 3.11Å; Q68-F70 VanDerWaalsContact C-N 3.28Å; Q68-F70 PolarHBondContact O-N 3.49Å; F70-E72 PolarHBondContact O-N 2.87Å; F70-R73 WeakPolarHBondContact O-CB 3.44Å; F70-R73 PolarHBondContact O-N 3.45Å; F70-C74 VanDerWaalsContact CZ-SG 3.53Å; F70-C74 PolarHBondContact O-N 3.28Å; F70-C74 PolarHBondContact O-SG 2.86Å; F70-C74 VanDerWaalsContact O-SG 3.42Å |
| 71 | L | 97.9 | Very high | 94.1 | Very high | 75 Ų | 75 | 105.8 Ų | 105.8 | 39% | 0.393 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 179.2 | -70.1 | 173.9 | 0 | 0 | 0 | 111.8 | E67 Q68 R73 C74 F75 | E67-L71 HydrophobicContact CG-CD1 4.17Å; E67-L71 HydrophobicContact CG-CG 4.45Å; E67-L71 WeakPolarHBondContact O-CG 3.05Å; E67-L71 PolarHBondContact O-N 2.93Å; Q68-L71 PolarHBondContact O-N 3.29Å; L71-R73 VanDerWaalsContact C-N 3.29Å; L71-R73 PolarHBondContact O-N 3.11Å; L71-C74 PolarHBondContact O-N 3.46Å; L71-F75 HydrophobicContact CB-CE2 4.36Å; L71-F75 WeakPolarHBondContact O-CD2 3.11Å; L71-F75 PolarHBondContact O-N 3Å |
| 72 | E | 97.3 | Very high | 93 | Very high | 136 Ų | 136 | 108.2 Ų | 108.2 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.6 | -42.2 | 174.6 | -76 | -176.7 | -175.3 | 0 | 0 | 111.6 | Q68 F70 F75 Q76 | Q68-E72 WeakPolarHBondContact O-CG 3.31Å; Q68-E72 PolarHBondContact O-N 3.48Å; F70-E72 PolarHBondContact O-N 2.87Å; E72-F75 PolarHBondContact O-N 3.27Å; E72-Q76 WeakPolarHBondContact O-CB 3.35Å; E72-Q76 PolarHBondContact O-N 2.98Å |
| 73 | R | 96.9 | Very high | 91.9 | Very high | 185 Ų | 185 | 108.9 Ų | 108.9 | 70% | 0.698 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.6 | -44.7 | 175.4 | -177 | 60.2 | 61.4 | 155 | 3.9 | 112.2 | E69 F70 L71 F75 Q76 E77 | E69-R73 PolarHBondContact O-N 2.84Å; E69-R73 VanDerWaalsContact O-N 3.1Å; F70-R73 WeakPolarHBondContact O-CB 3.44Å; F70-R73 PolarHBondContact O-N 3.45Å; L71-R73 VanDerWaalsContact C-N 3.29Å; L71-R73 PolarHBondContact O-N 3.11Å; R73-F75 PolarHBondContact O-N 3.18Å; R73-Q76 PolarHBondContact O-N 3.06Å; R73-E77 PolarHBondContact O-N 2.78Å |
| 74 | C | 96.6 | Very high | 90.5 | Very high | 43 Ų | 43 | 111.3 Ų | 111.3 | 29% | 0.291 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 178.8 | -72.2 | 0 | 0 | 0 | 0 | 112.4 | F70 L71 M78 | F70-C74 VanDerWaalsContact CZ-SG 3.53Å; F70-C74 PolarHBondContact O-N 3.28Å; F70-C74 PolarHBondContact O-SG 2.86Å; F70-C74 VanDerWaalsContact O-SG 3.42Å; L71-C74 PolarHBondContact O-N 3.46Å; C74-M78 PolarHBondContact O-N 3.22Å; C74-M78 VanDerWaalsContact O-N 3.11Å |
| 75 | F | 94 | Very high | 88.9 | Confident | 125 Ų | 125 | 114.4 Ų | 114.4 | 55% | 0.548 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 175.3 | -70 | -52.4 | 0 | 0 | 0 | 111.9 | L71 E72 R73 E77 M78 L79 | L71-F75 HydrophobicContact CB-CE2 4.36Å; L71-F75 WeakPolarHBondContact O-CD2 3.11Å; L71-F75 PolarHBondContact O-N 3Å; E72-F75 PolarHBondContact O-N 3.27Å; R73-F75 PolarHBondContact O-N 3.18Å; F75-E77 PolarHBondContact O-N 3.33Å; F75-M78 PolarHBondContact O-N 2.85Å; F75-L79 WeakPolarHBondContact O-CG 3.34Å; F75-L79 PolarHBondContact O-N 3.48Å |
| 76 | Q | 94.8 | Very high | 87.2 | Confident | 97 Ų | 97 | 120.3 Ų | 120.3 | 45% | 0.453 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.5 | -43 | 177.6 | -169.5 | 63.4 | 64.4 | 0 | 0 | 111.8 | E72 R73 M78 L79 D80 | E72-Q76 WeakPolarHBondContact O-CB 3.35Å; E72-Q76 PolarHBondContact O-N 2.98Å; R73-Q76 PolarHBondContact O-N 3.06Å; Q76-M78 VanDerWaalsContact C-N 3.34Å; Q76-M78 PolarHBondContact O-N 3.49Å; Q76-L79 PolarHBondContact O-N 2.96Å; Q76-D80 PolarHBondContact NE2-OD1 2.87Å; Q76-D80 WeakPolarHBondContact O-CB 3.26Å; Q76-D80 PolarHBondContact O-N 3.27Å |
| 77 | E | 91.1 | Very high | 85.2 | Confident | 113 Ų | 113 | 123 Ų | 123 | 53% | 0.528 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60 | -44.1 | 175.5 | -177.8 | 173.8 | -161.3 | 0 | 0 | 111.6 | R73 F75 L79 D80 E81 | R73-E77 PolarHBondContact O-N 2.78Å; F75-E77 PolarHBondContact O-N 3.33Å; E77-L79 PolarHBondContact O-N 2.97Å; E77-D80 PolarHBondContact O-N 3.49Å; E77-E81 WeakPolarHBondContact O-CB 3.45Å; E77-E81 WeakPolarHBondContact O-CG 3.47Å; E77-E81 PolarHBondContact O-N 2.94Å |
| 78 | M | 87.5 | Confident | 83.2 | Confident | 121 Ų | 121 | 123 Ų | 123 | 60% | 0.596 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.8 | -38.4 | 177.1 | -169.9 | -176.6 | -57.3 | 0 | 0 | 112.9 | C74 F75 Q76 E81 E82 | C74-M78 PolarHBondContact O-N 3.22Å; C74-M78 VanDerWaalsContact O-N 3.11Å; F75-M78 PolarHBondContact O-N 2.85Å; Q76-M78 VanDerWaalsContact C-N 3.34Å; Q76-M78 PolarHBondContact O-N 3.49Å; M78-E81 PolarHBondContact O-N 3.27Å; M78-E82 PolarHBondContact O-N 3.5Å |
| 79 | L | 88.4 | Confident | 81.2 | Confident | 87 Ų | 87 | 119.9 Ų | 119.9 | 46% | 0.455 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.3 | -42 | 174.4 | -71.4 | 172.2 | 0 | 0 | 0 | 111.4 | F75 Q76 E77 E81 E82 D83 | F75-L79 WeakPolarHBondContact O-CG 3.34Å; F75-L79 PolarHBondContact O-N 3.48Å; Q76-L79 PolarHBondContact O-N 2.96Å; E77-L79 PolarHBondContact O-N 2.97Å; L79-E81 VanDerWaalsContact C-N 3.26Å; L79-E81 PolarHBondContact O-N 3.22Å; L79-E82 PolarHBondContact O-N 3.41Å; L79-D83 PolarHBondContact O-N 3.02Å |
| 80 | D | 87.1 | Confident | 79.3 | Confident | 71 Ų | 71 | 118 Ų | 118 | 38% | 0.38 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.6 | -33.2 | 176.8 | -67 | -8 | 0 | 0 | 0 | 111.1 | Q76 E77 Q84 | Q76-D80 PolarHBondContact NE2-OD1 2.87Å; Q76-D80 WeakPolarHBondContact O-CB 3.26Å; Q76-D80 PolarHBondContact O-N 3.27Å; E77-D80 PolarHBondContact O-N 3.49Å; D80-Q84 VanDerWaalsContact O-CG 3.26Å; D80-Q84 WeakPolarHBondContact O-CG 3.36Å; D80-Q84 PolarHBondContact O-N 2.99Å; D80-Q84 PolarHBondContact O-NE2 3.1Å |
| 81 | E | 80.3 | Confident | 77.4 | Confident | 114 Ų | 114 | 121.5 Ų | 121.5 | 53% | 0.533 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.8 | -42.5 | 171.4 | -75.9 | 179.4 | -177.7 | 0 | 0 | 112.3 | E77 M78 L79 Q84 D85 | E77-E81 WeakPolarHBondContact O-CB 3.45Å; E77-E81 WeakPolarHBondContact O-CG 3.47Å; E77-E81 PolarHBondContact O-N 2.94Å; M78-E81 PolarHBondContact O-N 3.27Å; L79-E81 VanDerWaalsContact C-N 3.26Å; L79-E81 PolarHBondContact O-N 3.22Å; E81-Q84 WeakPolarHBondContact O-CB 3.44Å; E81-Q84 PolarHBondContact O-N 3.21Å; E81-D85 PolarHBondContact O-N 2.96Å |
| 82 | E | 70.9 | Confident | 75.5 | Confident | 96 Ų | 96 | 122.3 Ų | 122.3 | 45% | 0.449 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.3 | -45.1 | 175.1 | -178.2 | -178.4 | -153.9 | 0 | 0 | 111.6 | M78 L79 Q84 D85 | M78-E82 PolarHBondContact O-N 3.5Å; L79-E82 PolarHBondContact O-N 3.41Å; E82-Q84 PolarHBondContact O-N 3.42Å; E82-Q84 VanDerWaalsContact O-N 3.17Å; E82-D85 PolarHBondContact O-N 2.94Å |
| 83 | D | 73.8 | Confident | 73.6 | Confident | 140 Ų | 140 | 119 Ų | 119 | 75% | 0.749 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.4 | -25.8 | 176.4 | -87.5 | -12.4 | 0 | 0 | 0 | 112.2 | L79 | L79-D83 PolarHBondContact O-N 3.02Å |
| 84 | Q | 65.6 | Low | 72 | Confident | 149 Ų | 149 | 114.7 Ų | 114.7 | 70% | 0.696 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -79.5 | -17.9 | 175.8 | -76.7 | 170.8 | 70.6 | 0 | 0 | 113.7 | D80 E81 E82 | D80-Q84 VanDerWaalsContact O-CG 3.26Å; D80-Q84 WeakPolarHBondContact O-CG 3.36Å; D80-Q84 PolarHBondContact O-N 2.99Å; D80-Q84 PolarHBondContact O-NE2 3.1Å; E81-Q84 WeakPolarHBondContact O-CB 3.44Å; E81-Q84 PolarHBondContact O-N 3.21Å; E82-Q84 PolarHBondContact O-N 3.42Å; E82-Q84 VanDerWaalsContact O-N 3.17Å |
| 85 | D | 62.8 | Low | 70.2 | Confident | 143 Ų | 143 | 119.2 Ų | 119.2 | 77% | 0.765 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -116.7 | 30.7 | -169.3 | -112.5 | -11 | 0 | 0 | 0 | 115.9 | E81 E82 | E81-D85 PolarHBondContact O-N 2.96Å; E82-D85 PolarHBondContact O-N 2.94Å |
| 86 | W | 60.2 | Low | 68.7 | Low | 218 Ų | 218 | 114.9 Ų | 114.9 | 83% | 0.826 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -123.1 | 21.6 | 161.4 | -80 | -13.1 | 0 | 0 | 0 | 115.6 | ||
| 87 | F | 55.1 | Low | 67.3 | Low | 168 Ų | 168 | 111.9 Ų | 111.9 | 74% | 0.737 | 58% | 0.58 | S | S | * | * | trans | -103.5 | 95.2 | 165.7 | -157.4 | -99.2 | 0 | 0 | 0 | 109.8 | P89 | F87-P89 HydrophobicContact CD1-CB 4.15Å; F87-P89 HydrophobicContact CD1-CG 4.02Å; F87-P89 HydrophobicContact CE1-CB 4.09Å; F87-P89 HydrophobicContact CE1-CG 4.45Å; F87-P89 WeakPolarHBondContact O-CD 3.47Å | ||
| 88 | I | 55.8 | Low | 66.1 | Low | 120 Ų | 120 | 109 Ų | 109 | 62% | 0.615 | 58% | 0.58 | S | S | * | * | trans | -72.5 | 105.4 | 159.4 | -55.3 | 177.1 | 0 | 0 | 0 | 106.1 | L93 | I88-L93 HydrophobicContact CG2-CD1 3.79Š| ||
| 89 | P | 54.6 | Low | 65.1 | Low | 48 Ų | 48 | 109.3 Ų | 109.3 | 31% | 0.312 | 58% | 0.58 | S | S | . | * | trans | -65.4 | 144 | 174.8 | -10.2 | 28.7 | 0 | 0 | 0 | 107.7 | F87 R91 D92 | F87-P89 HydrophobicContact CD1-CB 4.15Å; F87-P89 HydrophobicContact CD1-CG 4.02Å; F87-P89 HydrophobicContact CE1-CB 4.09Å; F87-P89 HydrophobicContact CE1-CG 4.45Å; F87-P89 WeakPolarHBondContact O-CD 3.47Å; P89-R91 PolarHBondContact O-N 2.98Å; P89-D92 WeakPolarHBondContact CD-OD2 3.49Å; P89-D92 PolarHBondContact O-N 3.05Å | ||
| 90 | A | 57.2 | Low | 64.2 | Low | 94 Ų | 94 | 110 Ų | 110 | 78% | 0.777 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | -16.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 91 | R | 56.8 | Low | 63.2 | Low | 209 Ų | 209 | 111.6 Ų | 111.6 | 79% | 0.789 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -33.8 | 175.9 | -166.2 | -170.3 | 73.8 | -173.5 | -0.4 | 114 | P89 L93 | P89-R91 PolarHBondContact O-N 2.98Å; R91-L93 VanDerWaalsContact C-N 3.34Å |
| 92 | D | 58.2 | Low | 62.8 | Low | 91 Ų | 91 | 113.4 Ų | 113.4 | 49% | 0.487 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -97.3 | 5.2 | -172.7 | -54.2 | -38.9 | 0 | 0 | 0 | 112 | P89 | P89-D92 WeakPolarHBondContact CD-OD2 3.49Å; P89-D92 PolarHBondContact O-N 3.05Å |
| 93 | L | 58.7 | Low | 62.7 | Low | 67 Ų | 67 | 114.7 Ų | 114.7 | 35% | 0.351 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -84.8 | 128.4 | 177.6 | -150.3 | 67.1 | 0 | 0 | 0 | 109.3 | I88 R91 S95 V97 | I88-L93 HydrophobicContact CG2-CD1 3.79Å; R91-L93 VanDerWaalsContact C-N 3.34Å; L93-S95 PolarHBondContact O-N 2.9Å; L93-V97 HydrophobicContact CD1-CB 4.17Å; L93-V97 HydrophobicContact CD1-CG1 3.99Å; L93-V97 HydrophobicContact CD1-CG2 4.06Å; L93-V97 HydrophobicContact CD2-CB 3.37Å; L93-V97 HydrophobicContact CD2-CG1 3.35Å; L93-V97 HydrophobicContact CD2-CG2 4.13Å; L93-V97 HydrophobicContact CG-CB 3.42Å; L93-V97 VanDerWaalsContact CG-CB 3.42Å; L93-V97 HydrophobicContact CG-CG1 3.69Å; L93-V97 HydrophobicContact CG-CG2 3.57Å |
| 94 | P | 62 | Low | 62.4 | Low | 95 Ų | 95 | 112.9 Ų | 112.9 | 62% | 0.617 | 59% | 0.593 | S | S | * | * | trans | -58.1 | 137 | -178.8 | 19.5 | -27.9 | 0 | 0 | 0 | 110.3 | G96 V97 | P94-G96 PolarHBondContact O-N 2.95Å; P94-V97 HydrophobicContact CG-CG2 3.83Å; P94-V97 PolarHBondContact O-N 3.23Å; P94-V97 VanDerWaalsContact O-N 3.12Å | ||
| 95 | S | 59 | Low | 62.5 | Low | 137 Ų | 137 | 111.3 Ų | 111.3 | 96% | 0.958 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.7 | 106.7 | 179.9 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | L93 | L93-S95 PolarHBondContact O-N 2.9Š|
| 96 | G | 63.2 | Low | 62.6 | Low | 35 Ų | 35 | 107.6 Ų | 107.6 | 36% | 0.361 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 130.7 | -12.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | P94 G98 Q99 I100 | P94-G96 PolarHBondContact O-N 2.95Å; G96-G98 VanDerWaalsContact C-N 3.29Å; G96-G98 PolarHBondContact O-N 3.46Å; G96-Q99 WeakPolarHBondContact O-CA 3.38Å; G96-Q99 VanDerWaalsContact O-CB 3.27Å; G96-Q99 WeakPolarHBondContact O-CB 3.46Å; G96-Q99 PolarHBondContact O-N 3.47Å; G96-I100 PolarHBondContact O-N 3.5Å |
| 97 | V | 65.4 | Low | 62.7 | Low | 34 Ų | 34 | 103.2 Ų | 103.2 | 21% | 0.206 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -66.3 | -29.9 | 178.5 | 176.1 | 0 | 0 | 0 | 0 | 113 | L93 P94 Q99 I100 Q101 | L93-V97 HydrophobicContact CD1-CB 4.17Å; L93-V97 HydrophobicContact CD1-CG1 3.99Å; L93-V97 HydrophobicContact CD1-CG2 4.06Å; L93-V97 HydrophobicContact CD2-CB 3.37Å; L93-V97 HydrophobicContact CD2-CG1 3.35Å; L93-V97 HydrophobicContact CD2-CG2 4.13Å; L93-V97 HydrophobicContact CG-CB 3.42Å; L93-V97 VanDerWaalsContact CG-CB 3.42Å; L93-V97 HydrophobicContact CG-CG1 3.69Å; L93-V97 HydrophobicContact CG-CG2 3.57Å; P94-V97 HydrophobicContact CG-CG2 3.83Å; P94-V97 PolarHBondContact O-N 3.23Å; P94-V97 VanDerWaalsContact O-N 3.12Å; V97-Q99 PolarHBondContact O-N 2.88Å; V97-I100 PolarHBondContact O-N 3.01Å; V97-Q101 VanDerWaalsContact O-CB 3.31Å; V97-Q101 WeakPolarHBondContact O-CB 3.37Å; V97-Q101 PolarHBondContact O-N 2.99Å |
| 98 | G | 65.8 | Low | 62.8 | Low | 51 Ų | 51 | 99.1 Ų | 99.1 | 53% | 0.526 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.1 | -29.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G96 Q102 | G96-G98 VanDerWaalsContact C-N 3.29Å; G96-G98 PolarHBondContact O-N 3.46Å; G98-Q102 WeakPolarHBondContact O-CG 3.39Å; G98-Q102 PolarHBondContact O-N 3.31Å |
| 99 | Q | 67.1 | Low | 62.9 | Low | 128 Ų | 128 | 100.6 Ų | 100.6 | 60% | 0.598 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -78.9 | -38.6 | 174.7 | -171.3 | 164.4 | -47.8 | 0 | 0 | 111.6 | G96 V97 Q102 Q103 | G96-Q99 WeakPolarHBondContact O-CA 3.38Å; G96-Q99 VanDerWaalsContact O-CB 3.27Å; G96-Q99 WeakPolarHBondContact O-CB 3.46Å; G96-Q99 PolarHBondContact O-N 3.47Å; V97-Q99 PolarHBondContact O-N 2.88Å; Q99-Q102 PolarHBondContact O-N 3.01Å; Q99-Q103 WeakPolarHBondContact O-CG 3.46Å; Q99-Q103 PolarHBondContact O-N 3.41Å |
| 100 | I | 68.6 | Low | 62.8 | Low | 103 Ų | 103 | 101.7 Ų | 101.7 | 53% | 0.528 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.8 | -42.4 | 174 | -62.3 | 173.1 | 0 | 0 | 0 | 110.7 | G96 V97 Q102 Q103 L104 | G96-I100 PolarHBondContact O-N 3.5Å; V97-I100 PolarHBondContact O-N 3.01Å; I100-Q102 VanDerWaalsContact C-N 3.31Å; I100-Q102 PolarHBondContact O-N 3.33Å; I100-Q103 PolarHBondContact O-N 3.01Å; I100-L104 WeakPolarHBondContact O-CB 3.42Å; I100-L104 PolarHBondContact O-N 3.45Å |
| 101 | Q | 66.3 | Low | 62.8 | Low | 103 Ų | 103 | 105.3 Ų | 105.3 | 48% | 0.481 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -59.9 | -42 | 176.5 | -168.7 | 78.4 | 79 | 0 | 0 | 111.1 | V97 L104 N105 | V97-Q101 VanDerWaalsContact O-CB 3.31Å; V97-Q101 WeakPolarHBondContact O-CB 3.37Å; V97-Q101 PolarHBondContact O-N 2.99Å; Q101-L104 PolarHBondContact O-N 3.35Å; Q101-N105 WeakPolarHBondContact O-CB 3.38Å; Q101-N105 PolarHBondContact O-N 3.27Å; Q101-N105 PolarHBondContact O-ND2 3.39Å; Q101-N105 PolarHBondContact O-OD1 3.31Å |
| 102 | Q | 71.4 | Confident | 63 | Low | 152 Ų | 152 | 98.7 Ų | 98.7 | 71% | 0.71 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.5 | -37.2 | 175.2 | -75.1 | -166.2 | 100 | 0 | 0 | 113 | G98 Q99 I100 | G98-Q102 WeakPolarHBondContact O-CG 3.39Å; G98-Q102 PolarHBondContact O-N 3.31Å; Q99-Q102 PolarHBondContact O-N 3.01Å; I100-Q102 VanDerWaalsContact C-N 3.31Å; I100-Q102 PolarHBondContact O-N 3.33Å |
| 103 | Q | 69.3 | Low | 63 | Low | 124 Ų | 124 | 97.6 Ų | 97.6 | 58% | 0.579 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.7 | -40.5 | 173.2 | -71.9 | 178 | 20.1 | 0 | 0 | 111.5 | Q99 I100 G106 | Q99-Q103 WeakPolarHBondContact O-CG 3.46Å; Q99-Q103 PolarHBondContact O-N 3.41Å; I100-Q103 PolarHBondContact O-N 3.01Å; Q103-G106 PolarHBondContact O-N 2.99Å |
| 104 | L | 68.1 | Low | 63.3 | Low | 102 Ų | 102 | 97.5 Ų | 97.5 | 53% | 0.534 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -73.4 | -37.1 | -179.1 | -173.3 | 61 | 0 | 0 | 0 | 112.9 | I100 Q101 G106 L107 | I100-L104 WeakPolarHBondContact O-CB 3.42Å; I100-L104 PolarHBondContact O-N 3.45Å; Q101-L104 PolarHBondContact O-N 3.35Å; L104-G106 PolarHBondContact O-N 3Å; L104-G106 VanDerWaalsContact O-N 3.17Å; L104-L107 HydrophobicContact CD1-CD1 4.14Å; L104-L107 WeakPolarHBondContact O-CB 3.47Å; L104-L107 PolarHBondContact O-N 3.35Å |
| 105 | N | 67.1 | Low | 63.5 | Low | 116 Ų | 116 | 96.7 Ų | 96.7 | 62% | 0.62 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.2 | -22.8 | 174.6 | -73.8 | -14.2 | 0 | 0 | 0 | 112.8 | Q101 | Q101-N105 WeakPolarHBondContact O-CB 3.38Å; Q101-N105 PolarHBondContact O-N 3.27Å; Q101-N105 PolarHBondContact O-ND2 3.39Å; Q101-N105 PolarHBondContact O-OD1 3.31Å |
| 106 | G | 64.4 | Low | 64.1 | Low | 64 Ų | 64 | 95.8 Ų | 95.8 | 66% | 0.66 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -12 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q103 L104 S108 | Q103-G106 PolarHBondContact O-N 2.99Å; L104-G106 PolarHBondContact O-N 3Å; L104-G106 VanDerWaalsContact O-N 3.17Å; G106-S108 VanDerWaalsContact C-N 3.27Å; G106-S108 PolarHBondContact O-N 2.84Å |
| 107 | L | 63.5 | Low | 64.6 | Low | 126 Ų | 126 | 98.6 Ų | 98.6 | 66% | 0.66 | 59% | 0.591 | S | S | * | * | trans | -90.6 | 57.5 | 176.1 | -60.7 | 174.6 | 0 | 0 | 0 | 109.8 | L104 V109 | L104-L107 HydrophobicContact CD1-CD1 4.14Å; L104-L107 WeakPolarHBondContact O-CB 3.47Å; L104-L107 PolarHBondContact O-N 3.35Å; L107-V109 PolarHBondContact O-N 3.15Å | ||
| 108 | S | 57.4 | Low | 65 | Low | 83 Ų | 83 | 102.8 Ų | 102.8 | 58% | 0.58 | 61% | 0.61 | S | S | * | * | trans | -74 | 124.8 | 169.9 | 85 | 0 | 0 | 0 | 0 | 109 | G106 S110 | G106-S108 VanDerWaalsContact C-N 3.27Å; G106-S108 PolarHBondContact O-N 2.84Å; S108-S110 PolarHBondContact O-N 3.14Å; S108-S110 PolarHBondContact OG-OG 3.22Å | ||
| 109 | V | 56.9 | Low | 65.3 | Low | 150 Ų | 150 | 103.6 Ų | 103.6 | 91% | 0.909 | 61% | 0.611 | S | S | * | * | trans | -75.7 | 73.5 | 163.8 | -177.6 | 0 | 0 | 0 | 0 | 107 | L107 D111 | L107-V109 PolarHBondContact O-N 3.15Å; V109-D111 PolarHBondContact O-N 2.89Å | ||
| 110 | S | 53.5 | Low | 65.7 | Low | 72 Ų | 72 | 106.4 Ų | 106.4 | 50% | 0.503 | 62% | 0.616 | S | S | . | * | trans | -78 | 111 | 168.4 | 13 | 0 | 0 | 0 | 0 | 107.6 | S108 G112 | S108-S110 PolarHBondContact O-N 3.14Å; S108-S110 PolarHBondContact OG-OG 3.22Å; S110-G112 PolarHBondContact O-N 3.13Å | ||
| 111 | D | 56.7 | Low | 66.3 | Low | 169 Ų | 169 | 107.8 Ų | 107.8 | 90% | 0.904 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -10.6 | 176.6 | -175.2 | 58.2 | 0 | 0 | 0 | 113.9 | V109 | V109-D111 PolarHBondContact O-N 2.89Š|
| 112 | G | 60 | Low | 67 | Low | 71 Ų | 71 | 105.6 Ų | 105.6 | 73% | 0.732 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 87.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | S110 | S110-G112 PolarHBondContact O-N 3.13Š|
| 113 | G | 58.5 | Low | 67.6 | Low | 68 Ų | 68 | 106.2 Ų | 106.2 | 70% | 0.701 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.5 | -8.1 | 148.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 114 | N | 65 | Low | 68.3 | Low | 65 Ų | 65 | 107.1 Ų | 107.1 | 35% | 0.348 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -95 | -20.9 | -179.8 | -171.4 | -93.9 | 0 | 0 | 0 | 114.2 | E116 E117 M118 | N114-E116 VanDerWaalsContact C-N 3.32Å; N114-E116 PolarHBondContact O-N 3.09Å; N114-E117 PolarHBondContact O-N 3.35Å; N114-M118 PolarHBondContact O-N 3.35Å; N114-M118 WeakPolarHBondContact OD1-CE 3.49Å; N114-M118 VanDerWaalsContact OD1-CG 3.26Å; N114-M118 WeakPolarHBondContact OD1-CG 3.41Å |
| 115 | A | 67.4 | Low | 68.9 | Low | 77 Ų | 77 | 107 Ų | 107 | 64% | 0.636 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -60.7 | -39.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | M118 A119 | A115-M118 PolarHBondContact O-N 3.37Å; A115-A119 WeakPolarHBondContact O-CB 3.45Å; A115-A119 PolarHBondContact O-N 3.27Å |
| 116 | E | 70.3 | Confident | 69.6 | Low | 119 Ų | 119 | 107.2 Ų | 107.2 | 56% | 0.556 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.3 | -36.2 | 179.5 | -164.5 | 178.5 | 114.2 | 0 | 0 | 112 | N114 R120 | N114-E116 VanDerWaalsContact C-N 3.32Å; N114-E116 PolarHBondContact O-N 3.09Å; E116-R120 VanDerWaalsContact O-CG 3.24Å; E116-R120 WeakPolarHBondContact O-CG 3.37Å; E116-R120 PolarHBondContact O-N 2.96Å; E116-R120 VanDerWaalsContact O-N 3.08Å; E116-R120 IonicContact OE1-CZ 2.95Å; E116-R120 IonicContact OE1-NH1 3.4Å; E116-R120 PolarHBondContact OE1-NH1 3.49Å; E116-R120 IonicContact OE1-NH2 3.97Å; E116-R120 PolarHBondContact OE1-NH2 2.9Å |
| 117 | E | 74.6 | Confident | 70.5 | Confident | 94 Ų | 94 | 110.9 Ų | 110.9 | 44% | 0.439 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -71 | -38.1 | 175.2 | -173.9 | -179.6 | 170.1 | 0 | 0 | 111.6 | N114 K121 | N114-E117 PolarHBondContact O-N 3.35Å; E117-K121 VanDerWaalsContact CD-NZ 3.3Å; E117-K121 HydrophobicContact CG-CD 4.28Å; E117-K121 VanDerWaalsContact CG-CE 3.43Å; E117-K121 WeakPolarHBondContact O-CD 3.32Å; E117-K121 WeakPolarHBondContact O-CG 3.43Å; E117-K121 PolarHBondContact O-N 2.9Å; E117-K121 VanDerWaalsContact OE1-CE 3.25Å; E117-K121 WeakPolarHBondContact OE1-CE 3.47Å; E117-K121 IonicContact OE1-NZ 3.09Å; E117-K121 PolarHBondContact OE1-NZ 2.83Å |
| 118 | M | 73 | Confident | 71.6 | Confident | 122 Ų | 122 | 107.7 Ų | 107.7 | 60% | 0.601 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.4 | -42.7 | 172.1 | -69.2 | -154.7 | -158 | 0 | 0 | 112.1 | N114 A115 R120 K121 S122 | N114-M118 PolarHBondContact O-N 3.35Å; N114-M118 WeakPolarHBondContact OD1-CE 3.49Å; N114-M118 VanDerWaalsContact OD1-CG 3.26Å; N114-M118 WeakPolarHBondContact OD1-CG 3.41Å; A115-M118 PolarHBondContact O-N 3.37Å; M118-R120 VanDerWaalsContact C-N 3.32Å; M118-R120 PolarHBondContact O-N 3.11Å; M118-K121 PolarHBondContact O-N 3.07Å; M118-K121 VanDerWaalsContact O-N 3.16Å; M118-S122 PolarHBondContact O-N 2.93Å |
| 119 | A | 71.2 | Confident | 72.8 | Confident | 67 Ų | 67 | 110.5 Ų | 110.5 | 55% | 0.554 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -61 | -40.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A115 K121 S122 | A115-A119 WeakPolarHBondContact O-CB 3.45Å; A115-A119 PolarHBondContact O-N 3.27Å; A119-K121 VanDerWaalsContact C-N 3.29Å; A119-K121 PolarHBondContact O-N 3.47Å; A119-S122 VanDerWaalsContact O-CB 3.26Å; A119-S122 WeakPolarHBondContact O-CB 3.39Å; A119-S122 PolarHBondContact O-N 2.99Å |
| 120 | R | 76.3 | Confident | 73.9 | Confident | 188 Ų | 188 | 110.7 Ų | 110.7 | 71% | 0.709 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.6 | -26.2 | 176.1 | -74.2 | 171.3 | 175.8 | 156.6 | 5.8 | 114.3 | E116 M118 | E116-R120 VanDerWaalsContact O-CG 3.24Å; E116-R120 WeakPolarHBondContact O-CG 3.37Å; E116-R120 PolarHBondContact O-N 2.96Å; E116-R120 VanDerWaalsContact O-N 3.08Å; E116-R120 IonicContact OE1-CZ 2.95Å; E116-R120 IonicContact OE1-NH1 3.4Å; E116-R120 PolarHBondContact OE1-NH1 3.49Å; E116-R120 IonicContact OE1-NH2 3.97Å; E116-R120 PolarHBondContact OE1-NH2 2.9Å; M118-R120 VanDerWaalsContact C-N 3.32Å; M118-R120 PolarHBondContact O-N 3.11Å |
| 121 | K | 81.5 | Confident | 75.4 | Confident | 132 Ų | 132 | 115.1 Ų | 115.1 | 57% | 0.574 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -91.1 | -9.2 | 176.7 | -63.8 | 166.6 | -178 | 175.3 | 0 | 112.6 | E117 M118 A119 | E117-K121 VanDerWaalsContact CD-NZ 3.3Å; E117-K121 HydrophobicContact CG-CD 4.28Å; E117-K121 VanDerWaalsContact CG-CE 3.43Å; E117-K121 WeakPolarHBondContact O-CD 3.32Å; E117-K121 WeakPolarHBondContact O-CG 3.43Å; E117-K121 PolarHBondContact O-N 2.9Å; E117-K121 VanDerWaalsContact OE1-CE 3.25Å; E117-K121 WeakPolarHBondContact OE1-CE 3.47Å; E117-K121 IonicContact OE1-NZ 3.09Å; E117-K121 PolarHBondContact OE1-NZ 2.83Å; M118-K121 PolarHBondContact O-N 3.07Å; M118-K121 VanDerWaalsContact O-N 3.16Å; A119-K121 VanDerWaalsContact C-N 3.29Å; A119-K121 PolarHBondContact O-N 3.47Å |
| 122 | S | 80.1 | Confident | 76.7 | Confident | 56 Ų | 56 | 111.1 Ų | 111.1 | 39% | 0.392 | 62% | 0.615 | S | S | . | * | trans | -70.3 | 135.2 | -177.4 | -170.5 | 0 | 0 | 0 | 0 | 110.3 | M118 A119 L124 | M118-S122 PolarHBondContact O-N 2.93Å; A119-S122 VanDerWaalsContact O-CB 3.26Å; A119-S122 WeakPolarHBondContact O-CB 3.39Å; A119-S122 PolarHBondContact O-N 2.99Å; S122-L124 WeakPolarHBondContact OG-CB 3.3Å; S122-L124 VanDerWaalsContact OG-CG 3.27Å; S122-L124 WeakPolarHBondContact OG-CG 3.35Å; S122-L124 PolarHBondContact OG-N 3.02Å | ||
| 123 | N | 84.6 | Confident | 77.8 | Confident | 166 Ų | 166 | 112.6 Ų | 112.6 | 89% | 0.888 | 61% | 0.612 | S | S | * | * | trans | -87.6 | 9.2 | 171.4 | -71.6 | -92.2 | 0 | 0 | 0 | 111.8 | ||||
| 124 | L | 83.3 | Confident | 79 | Confident | 142 Ų | 142 | 113.3 Ų | 113.3 | 74% | 0.743 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -77.8 | 145.4 | 176.6 | -59.6 | 177.1 | 0 | 0 | 0 | 110.2 | S122 P126 | S122-L124 WeakPolarHBondContact OG-CB 3.3Å; S122-L124 VanDerWaalsContact OG-CG 3.27Å; S122-L124 WeakPolarHBondContact OG-CG 3.35Å; S122-L124 PolarHBondContact OG-N 3.02Å; L124-P126 WeakPolarHBondContact O-CD 3.3Å |
| 125 | N | 81.3 | Confident | 79.7 | Confident | 100 Ų | 100 | 113.5 Ų | 113.5 | 54% | 0.535 | 62% | 0.623 | S | S | . | * | trans | -65.5 | 116.6 | 175.3 | 177.9 | 16 | 0 | 0 | 0 | 109.8 | D127 A128 | N125-D127 PolarHBondContact O-N 2.91Å; N125-D127 PolarHBondContact OD1-N 3.2Å; N125-A128 HydrophobicContact CB-CB 4.37Å; N125-A128 VanDerWaalsContact O-CB 3.26Å; N125-A128 WeakPolarHBondContact O-CB 2.98Å; N125-A128 PolarHBondContact O-N 3.45Å; N125-A128 VanDerWaalsContact O-N 3.15Å | ||
| 126 | P | 82.9 | Confident | 80.3 | Confident | 121 Ų | 121 | 119.6 Ų | 119.6 | 79% | 0.786 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -22.8 | 178.5 | 28.3 | -35.6 | 0 | 0 | 0 | 112.7 | L124 A128 | L124-P126 WeakPolarHBondContact O-CD 3.3Å; P126-A128 VanDerWaalsContact C-N 3.27Å; P126-A128 PolarHBondContact O-N 3.31Å |
| 127 | D | 82.7 | Confident | 80.4 | Confident | 141 Ų | 141 | 121.1 Ų | 121.1 | 75% | 0.754 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 7.8 | 179 | -55.6 | -43.3 | 0 | 0 | 0 | 112.5 | N125 K129 | N125-D127 PolarHBondContact O-N 2.91Å; N125-D127 PolarHBondContact OD1-N 3.2Å; D127-K129 PolarHBondContact O-N 2.87Å |
| 128 | A | 85.9 | Confident | 80.7 | Confident | 58 Ų | 58 | 122.5 Ų | 122.5 | 48% | 0.479 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -62.1 | 132.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | N125 P126 E130 | N125-A128 HydrophobicContact CB-CB 4.37Å; N125-A128 VanDerWaalsContact O-CB 3.26Å; N125-A128 WeakPolarHBondContact O-CB 2.98Å; N125-A128 PolarHBondContact O-N 3.45Å; N125-A128 VanDerWaalsContact O-N 3.15Å; P126-A128 VanDerWaalsContact C-N 3.27Å; P126-A128 PolarHBondContact O-N 3.31Å; A128-E130 PolarHBondContact O-N 3.43Å; A128-E130 VanDerWaalsContact O-N 3.14Å |
| 129 | K | 83.2 | Confident | 81.1 | Confident | 142 Ų | 142 | 122.5 Ų | 122.5 | 62% | 0.617 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 120.2 | 179.1 | -156.4 | 167.8 | -162.5 | -178.6 | 0 | 109.1 | D127 F131 Y137 | D127-K129 PolarHBondContact O-N 2.87Å; K129-F131 PolarHBondContact O-N 3.31Å; K129-Y137 HydrophobicContact CD-CD1 3.55Å; K129-Y137 HydrophobicContact CD-CD2 3.97Å; K129-Y137 HydrophobicContact CD-CE1 3.8Å; K129-Y137 HydrophobicContact CD-CE2 4.24Å; K129-Y137 HydrophobicContact CD-CG 3.58Å; K129-Y137 HydrophobicContact CG-CD1 4.38Å; K129-Y137 HydrophobicContact CG-CD2 4.35Å; K129-Y137 HydrophobicContact CG-CE1 4.18Å; K129-Y137 HydrophobicContact CG-CE2 4.2Å; K129-Y137 HydrophobicContact CG-CG 4.41Å |
| 130 | E | 80.9 | Confident | 81.7 | Confident | 155 Ų | 155 | 125.6 Ų | 125.6 | 72% | 0.724 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 133.6 | 175.2 | -59 | 175 | -146.7 | 0 | 0 | 109.1 | A128 I132 Y137 | A128-E130 PolarHBondContact O-N 3.43Å; A128-E130 VanDerWaalsContact O-N 3.14Å; E130-I132 PolarHBondContact O-N 3.3Å; E130-I132 VanDerWaalsContact O-N 3.15Å; E130-Y137 VanDerWaalsContact O-CE2 3.31Å; E130-Y137 WeakPolarHBondContact O-CE2 3.47Å; E130-Y137 PolarHBondContact O-OH 3.5Å |
| 131 | F | 83.6 | Confident | 82 | Confident | 164 Ų | 164 | 121.9 Ų | 121.9 | 72% | 0.719 | 65% | 0.651 | S | S | * | * | trans | -74 | 108.9 | 173.4 | 176.8 | -102 | 0 | 0 | 0 | 108.9 | K129 P133 | K129-F131 PolarHBondContact O-N 3.31Å; F131-P133 HydrophobicContact CD1-CG 4.19Å; F131-P133 HydrophobicContact CE1-CB 4.15Å; F131-P133 HydrophobicContact CE1-CG 3.76Å | ||
| 132 | I | 85.1 | Confident | 82 | Confident | 85 Ų | 85 | 121.3 Ų | 121.3 | 44% | 0.436 | 66% | 0.656 | S | S | . | * | trans | -99 | 111.8 | 170.1 | -57.9 | 179.1 | 0 | 0 | 0 | 108.1 | E130 G134 V135 Y137 | E130-I132 PolarHBondContact O-N 3.3Å; E130-I132 VanDerWaalsContact O-N 3.15Å; I132-G134 PolarHBondContact O-N 3.43Å; I132-V135 HydrophobicContact CB-CB 4.3Å; I132-V135 HydrophobicContact CB-CG2 3.93Å; I132-V135 HydrophobicContact CG2-CG2 3.7Å; I132-V135 PolarHBondContact O-N 3.48Å; I132-Y137 VanDerWaalsContact CB-OH 3.29Å; I132-Y137 WeakPolarHBondContact CB-OH 3.41Å; I132-Y137 WeakPolarHBondContact CD1-OH 3.43Å; I132-Y137 WeakPolarHBondContact CG1-OH 3.49Å | ||
| 133 | P | 82.6 | Confident | 82.1 | Confident | 102 Ų | 102 | 125.7 Ų | 125.7 | 66% | 0.662 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | 127.9 | 177.3 | -23.2 | 31 | 0 | 0 | 0 | 111.2 | F131 | F131-P133 HydrophobicContact CD1-CG 4.19Å; F131-P133 HydrophobicContact CE1-CB 4.15Å; F131-P133 HydrophobicContact CE1-CG 3.76Å |
| 134 | G | 83.6 | Confident | 81.9 | Confident | 83 Ų | 83 | 122.8 Ų | 122.8 | 86% | 0.856 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.9 | -9.9 | -180 | 0 | 0 | 0 | 0 | 0 | 115.3 | I132 | I132-G134 PolarHBondContact O-N 3.43Š|
| 135 | V | 80.4 | Confident | 81.8 | Confident | 69 Ų | 69 | 121.3 Ų | 121.3 | 42% | 0.418 | 65% | 0.652 | S | S | . | * | trans | -95.2 | 123.9 | 173 | -173.6 | 0 | 0 | 0 | 0 | 109.6 | I132 Y137 | I132-V135 HydrophobicContact CB-CB 4.3Å; I132-V135 HydrophobicContact CB-CG2 3.93Å; I132-V135 HydrophobicContact CG2-CG2 3.7Å; I132-V135 PolarHBondContact O-N 3.48Å; V135-Y137 HydrophobicContact CB-CE1 4.04Å; V135-Y137 HydrophobicContact CB-CE2 4.49Å; V135-Y137 HydrophobicContact CG1-CD1 3.68Å; V135-Y137 HydrophobicContact CG1-CE1 3.34Å; V135-Y137 HydrophobicContact CG1-CG 4.48Å | ||
| 136 | K | 79 | Confident | 81.9 | Confident | 206 Ų | 206 | 123.1 Ų | 123.1 | 90% | 0.896 | 66% | 0.662 | S | S | * | * | trans | -91.1 | 121.5 | 171 | -53.4 | -161 | -176.9 | 179.4 | 0 | 107.8 | ||||
| 137 | Y | 72.9 | Confident | 81.8 | Confident | 151 Ų | 151 | 123.3 Ų | 123.3 | 59% | 0.592 | 65% | 0.65 | S | S | * | * | trans | -98.3 | 0 | -176.3 | -65.7 | -54.1 | 0 | 0 | 0 | 113.3 | K129 E130 I132 V135 | K129-Y137 HydrophobicContact CD-CD1 3.55Å; K129-Y137 HydrophobicContact CD-CD2 3.97Å; K129-Y137 HydrophobicContact CD-CE1 3.8Å; K129-Y137 HydrophobicContact CD-CE2 4.24Å; K129-Y137 HydrophobicContact CD-CG 3.58Å; K129-Y137 HydrophobicContact CG-CD1 4.38Å; K129-Y137 HydrophobicContact CG-CD2 4.35Å; K129-Y137 HydrophobicContact CG-CE1 4.18Å; K129-Y137 HydrophobicContact CG-CE2 4.2Å; K129-Y137 HydrophobicContact CG-CG 4.41Å; E130-Y137 VanDerWaalsContact O-CE2 3.31Å; E130-Y137 WeakPolarHBondContact O-CE2 3.47Å; E130-Y137 PolarHBondContact O-OH 3.5Å; I132-Y137 VanDerWaalsContact CB-OH 3.29Å; I132-Y137 WeakPolarHBondContact CB-OH 3.41Å; I132-Y137 WeakPolarHBondContact CD1-OH 3.43Å; I132-Y137 WeakPolarHBondContact CG1-OH 3.49Å; V135-Y137 HydrophobicContact CB-CE1 4.04Å; V135-Y137 HydrophobicContact CB-CE2 4.49Å; V135-Y137 HydrophobicContact CG1-CD1 3.68Å; V135-Y137 HydrophobicContact CG1-CE1 3.34Å; V135-Y137 HydrophobicContact CG1-CG 4.48Å |
Retrieved 137 of 137 residues in 643.5 ms
(Link to these results)