| 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 | 48.6 | Very low | 52.7 | Low | 237 Ų | 237 | 150.4 Ų | 150.4 | 100% | 1.167 | 87% | 0.866 | S | S | * | * | 0 | 114.8 | 0 | -73.4 | 171.9 | 137.2 | 0 | 0 | 106.3 | |||||
| 2 | P | 50.8 | Low | 52.5 | Low | 131 Ų | 131 | 149.1 Ų | 149.1 | 85% | 0.851 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 141.1 | 177 | 29.1 | -26.8 | 0 | 0 | 0 | 110.4 | ||
| 3 | E | 55.5 | Low | 51.7 | Low | 182 Ų | 182 | 144.9 Ų | 144.9 | 85% | 0.85 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 150.2 | 179 | -68.3 | -179.2 | 129.5 | 0 | 0 | 112.1 | ||
| 4 | P | 59.2 | Low | 51.4 | Low | 125 Ų | 125 | 145.2 Ų | 145.2 | 81% | 0.812 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 129.5 | 175.2 | 29.9 | -31.8 | 0 | 0 | 0 | 110.7 | E6 | P4-E6 PolarHBondContact O-N 3.28Š|
| 5 | A | 58.8 | Low | 50.7 | Low | 96 Ų | 96 | 143.3 Ų | 143.3 | 79% | 0.793 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 124.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | M7 | A5-M7 PolarHBondContact O-N 3.03Š|
| 6 | E | 55 | Low | 50.4 | Low | 188 Ų | 188 | 142.6 Ų | 142.6 | 88% | 0.879 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 125.2 | 172.8 | -62.1 | -175.7 | 120.6 | 0 | 0 | 109.4 | P4 S8 | P4-E6 PolarHBondContact O-N 3.28Å; E6-S8 PolarHBondContact O-N 2.68Å |
| 7 | M | 53.3 | Low | 49.5 | Very low | 190 Ų | 190 | 138.8 Ų | 138.8 | 94% | 0.936 | 84% | 0.842 | S | S | * | * | trans | -70.2 | 111.6 | 178.5 | -56.8 | -161.2 | -77.2 | 0 | 0 | 108.9 | A5 G9 | A5-M7 PolarHBondContact O-N 3.03Å; M7-G9 PolarHBondContact O-N 3.46Å | ||
| 8 | S | 51.2 | Low | 48.6 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 88% | 0.881 | 84% | 0.84 | S | S | * | * | trans | -69.3 | 109.8 | 172.4 | -77.8 | 0 | 0 | 0 | 0 | 110 | E6 | E6-S8 PolarHBondContact O-N 2.68Š| ||
| 9 | G | 52.2 | Low | 47.9 | Very low | 61 Ų | 61 | 132.7 Ų | 132.7 | 63% | 0.629 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 154.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | M7 E11 | M7-G9 PolarHBondContact O-N 3.46Å; G9-E11 PolarHBondContact O-N 2.88Å |
| 10 | P | 54.1 | Low | 47.4 | Very low | 135 Ų | 135 | 131 Ų | 131 | 88% | 0.877 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 128.3 | 179.2 | 26.2 | -31.4 | 0 | 0 | 0 | 111.3 | V12 | P10-V12 PolarHBondContact O-N 3.1Š|
| 11 | E | 40.8 | Very low | 47.5 | Very low | 183 Ų | 183 | 130.9 Ų | 130.9 | 86% | 0.855 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 119.9 | 179 | -170.3 | 176.7 | 110.2 | 0 | 0 | 111.1 | G9 A13 | G9-E11 PolarHBondContact O-N 2.88Å; E11-A13 PolarHBondContact O-N 2.78Å; E11-A13 VanDerWaalsContact O-N 3.14Å |
| 12 | V | 50.4 | Low | 47.1 | Very low | 135 Ų | 135 | 123 Ų | 123 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -72.1 | 101.7 | 168.6 | -73.7 | 0 | 0 | 0 | 0 | 109 | P10 N14 | P10-V12 PolarHBondContact O-N 3.1Å; V12-N14 PolarHBondContact O-N 3.3Å; V12-N14 VanDerWaalsContact O-N 3.14Å | ||
| 13 | A | 42.4 | Very low | 46.5 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | trans | -64.1 | 113.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | E11 | E11-A13 PolarHBondContact O-N 2.78Å; E11-A13 VanDerWaalsContact O-N 3.14Å | ||
| 14 | N | 46.5 | Very low | 46.1 | Very low | 149 Ų | 149 | 127.6 Ų | 127.6 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | -85.7 | 139.8 | 169 | -124.3 | -48.8 | 0 | 0 | 0 | 110.1 | V12 | V12-N14 PolarHBondContact O-N 3.3Å; V12-N14 VanDerWaalsContact O-N 3.14Å | ||
| 15 | T | 42.2 | Very low | 45.2 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 72% | 0.718 | 82% | 0.817 | S | S | * | * | trans | -44.4 | 173.5 | -173.5 | 61.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 16 | P | 44.9 | Very low | 44.4 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | -131.1 | 129.6 | 122.8 | 35.9 | -25.5 | 0 | 0 | 0 | 112.8 | |||||
| 17 | G | 35.2 | Very low | 43.8 | Very low | 79 Ų | 79 | 129.6 Ų | 129.6 | 81% | 0.814 | 82% | 0.822 | S | S | * | * | trans | -75.2 | 170.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 18 | G | 33.8 | Very low | 43.4 | Very low | 79 Ų | 79 | 126.1 Ų | 126.1 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | trans | -134.3 | 116.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 19 | G | 35.5 | Very low | 43 | Very low | 83 Ų | 83 | 126.7 Ų | 126.7 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | -69.2 | 172 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 20 | A | 37.4 | Very low | 42.8 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | cis | -166.2 | -161 | 18.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 21 | P | 49.9 | Very low | 42.6 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | -117.9 | 160 | -71.8 | 35.2 | -20.8 | 0 | 0 | 0 | 112.5 | |||||
| 22 | G | 40.7 | Very low | 43.1 | Very low | 73 Ų | 73 | 123.3 Ų | 123.3 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | 102.1 | 92.4 | 155.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 23 | K | 38.2 | Very low | 43.6 | Very low | 204 Ų | 204 | 124.3 Ų | 124.3 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | -171.6 | 137.6 | 109.3 | -99.9 | 173.2 | -177.1 | -175.8 | 0 | 108.5 | G25 | K23-G25 PolarHBondContact O-N 2.98Š| |||
| 24 | E | 46.6 | Very low | 44.3 | Very low | 204 Ų | 204 | 124.2 Ų | 124.2 | 95% | 0.953 | 80% | 0.799 | S | S | * | * | trans | -52.3 | 115.2 | 177.2 | -43.3 | -178.8 | 160.9 | 0 | 0 | 108.9 | ||||
| 25 | G | 40.3 | Very low | 44.8 | Very low | 61 Ų | 61 | 119.7 Ų | 119.7 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | trans | -172.1 | 96.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | K23 E27 | K23-G25 PolarHBondContact O-N 2.98Å; G25-E27 PolarHBondContact O-N 2.86Å | ||
| 26 | K | 41.8 | Very low | 45.6 | Very low | 208 Ų | 208 | 122.2 Ų | 122.2 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | trans | -57.6 | 107.4 | 169.8 | -73.9 | -176 | 173.3 | -169.2 | 0 | 106.9 | P28 | K26-P28 VanDerWaalsContact O-CD 3.3Å; K26-P28 WeakPolarHBondContact O-CD 3.31Å | ||
| 27 | E | 42.4 | Very low | 46.5 | Very low | 183 Ų | 183 | 117.8 Ų | 117.8 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | -64.6 | 118.2 | 164.8 | -69.9 | -177.4 | 114.4 | 0 | 0 | 106.9 | G25 V29 | G25-E27 PolarHBondContact O-N 2.86Å; E27-V29 PolarHBondContact O-N 3.06Å | ||
| 28 | P | 44.6 | Very low | 47.8 | Very low | 117 Ų | 117 | 120.5 Ų | 120.5 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -71.3 | 123.5 | 171.1 | 29.7 | -29.5 | 0 | 0 | 0 | 107.3 | K26 A30 | K26-P28 VanDerWaalsContact O-CD 3.3Å; K26-P28 WeakPolarHBondContact O-CD 3.31Å; P28-A30 VanDerWaalsContact C-N 3.34Å; P28-A30 PolarHBondContact O-N 3.09Å | ||
| 29 | V | 44.1 | Very low | 49.3 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -60.9 | 99.3 | 164.6 | -74.1 | 0 | 0 | 0 | 0 | 107.3 | E27 N31 | E27-V29 PolarHBondContact O-N 3.06Å; V29-N31 VanDerWaalsContact C-N 3.27Å; V29-N31 PolarHBondContact O-N 3.21Å | ||
| 30 | A | 47.1 | Very low | 51.1 | Low | 93 Ų | 93 | 122.3 Ų | 122.3 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | -72.4 | 84.4 | 180 | 0 | 0 | 0 | 0 | 0 | 109.4 | P28 | P28-A30 VanDerWaalsContact C-N 3.34Å; P28-A30 PolarHBondContact O-N 3.09Å | ||
| 31 | N | 48.9 | Very low | 53.1 | Low | 153 Ų | 153 | 121.9 Ų | 121.9 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -97.7 | 93.3 | 171.5 | -167 | 71.4 | 0 | 0 | 0 | 109 | V29 | V29-N31 VanDerWaalsContact C-N 3.27Å; V29-N31 PolarHBondContact O-N 3.21Å | ||
| 32 | G | 52.6 | Low | 54.6 | Low | 61 Ų | 61 | 120.9 Ų | 120.9 | 63% | 0.629 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 88.4 | 138.7 | 152.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 33 | H | 61.1 | Low | 56.6 | Low | 157 Ų | 157 | 123.5 Ų | 123.5 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 52.6 | 105.3 | 150.5 | -73.7 | 84.1 | 0 | 0 | 0 | 119.5 | G35 Y55 | H33-G35 PolarHBondContact O-N 3.36Å; H33-Y55 AromaticContact NE2-CE2 3.97Å |
| 34 | A | 57.2 | Low | 58.6 | Low | 93 Ų | 93 | 115.6 Ų | 115.6 | 77% | 0.769 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 48 | 62.6 | 155.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 35 | G | 56.6 | Low | 59.9 | Low | 53 Ų | 53 | 113.5 Ų | 113.5 | 55% | 0.546 | 69% | 0.686 | S | S | . | * | trans | -136.9 | -7.2 | 178 | 0 | 0 | 0 | 0 | 0 | 117.6 | H33 | H33-G35 PolarHBondContact O-N 3.36Š| ||
| 36 | D | 57.8 | Low | 61.8 | Low | 170 Ų | 170 | 118.7 Ų | 118.7 | 91% | 0.909 | 69% | 0.688 | S | S | * | * | trans | -106.9 | 32 | -162.8 | -118.7 | -0.3 | 0 | 0 | 0 | 114.8 | ||||
| 37 | G | 64.1 | Low | 63.6 | Low | 38 Ų | 38 | 113.2 Ų | 113.2 | 39% | 0.392 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -109.6 | 145 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | D39 A40 | G37-D39 PolarHBondContact O-N 3.16Å; G37-A40 VanDerWaalsContact O-CB 3.27Å; G37-A40 WeakPolarHBondContact O-CB 3.28Å; G37-A40 PolarHBondContact O-N 2.87Å |
| 38 | P | 62.2 | Low | 65.4 | Low | 137 Ų | 137 | 112.3 Ų | 112.3 | 89% | 0.89 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -14.4 | 176.5 | 24.6 | -33.3 | 0 | 0 | 0 | 114.1 | ||
| 39 | D | 65.6 | Low | 67.1 | Low | 161 Ų | 161 | 112.6 Ų | 112.6 | 86% | 0.861 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | 8 | 176.3 | -57.3 | -55.1 | 0 | 0 | 0 | 113.3 | G37 | G37-D39 PolarHBondContact O-N 3.16Š|
| 40 | A | 74.9 | Confident | 68.9 | Low | 39 Ų | 39 | 113.1 Ų | 113.1 | 32% | 0.322 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -71.1 | 135.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | G37 P42 | G37-A40 VanDerWaalsContact O-CB 3.27Å; G37-A40 WeakPolarHBondContact O-CB 3.28Å; G37-A40 PolarHBondContact O-N 2.87Å; A40-P42 WeakPolarHBondContact O-CD 3.4Å; A40-P42 VanDerWaalsContact O-N 3.13Å |
| 41 | N | 77.8 | Confident | 70.6 | Confident | 89 Ų | 89 | 113.6 Ų | 113.6 | 48% | 0.476 | 63% | 0.631 | S | S | . | * | trans | -57.4 | 118.2 | 174.6 | 176 | 11.5 | 0 | 0 | 0 | 109 | F43 A44 | N41-F43 PolarHBondContact O-N 3.44Å; N41-F43 PolarHBondContact OD1-N 3.21Å; N41-F43 VanDerWaalsContact OD1-N 3.15Å; N41-A44 HydrophobicContact CB-CB 4.41Å; N41-A44 VanDerWaalsContact O-CB 3.25Å; N41-A44 WeakPolarHBondContact O-CB 3.47Å; N41-A44 PolarHBondContact O-N 2.79Å | ||
| 42 | P | 82.6 | Confident | 72.5 | Confident | 107 Ų | 107 | 110.3 Ų | 110.3 | 70% | 0.695 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -6.6 | -177.7 | 25.4 | -33.9 | 0 | 0 | 0 | 113.6 | A40 | A40-P42 WeakPolarHBondContact O-CD 3.4Å; A40-P42 VanDerWaalsContact O-N 3.13Å |
| 43 | F | 82.2 | Confident | 74.2 | Confident | 128 Ų | 128 | 115.5 Ų | 115.5 | 56% | 0.561 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 6.6 | 174.2 | -54.8 | -73.6 | 0 | 0 | 0 | 113.8 | N41 E45 Y46 M47 | N41-F43 PolarHBondContact O-N 3.44Å; N41-F43 PolarHBondContact OD1-N 3.21Å; N41-F43 VanDerWaalsContact OD1-N 3.15Å; F43-E45 VanDerWaalsContact C-N 3.26Å; F43-E45 PolarHBondContact O-N 3.26Å; F43-Y46 HydrophobicContact CD1-CD2 4.34Å; F43-Y46 WeakPolarHBondContact O-CA 3.45Å; F43-Y46 PolarHBondContact O-N 3.16Å; F43-M47 WeakPolarHBondContact O-CG 3.44Å; F43-M47 PolarHBondContact O-N 3.33Å |
| 44 | A | 79.8 | Confident | 75.6 | Confident | 38 Ų | 38 | 112.5 Ų | 112.5 | 31% | 0.314 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -53.9 | -42.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N41 Y46 M47 W48 | N41-A44 HydrophobicContact CB-CB 4.41Å; N41-A44 VanDerWaalsContact O-CB 3.25Å; N41-A44 WeakPolarHBondContact O-CB 3.47Å; N41-A44 PolarHBondContact O-N 2.79Å; A44-Y46 PolarHBondContact O-N 2.91Å; A44-M47 PolarHBondContact O-N 3.13Å; A44-M47 VanDerWaalsContact O-N 3.17Å; A44-W48 PolarHBondContact O-N 2.83Å |
| 45 | E | 74.4 | Confident | 77.3 | Confident | 160 Ų | 160 | 113.2 Ų | 113.2 | 75% | 0.748 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.5 | -20 | 176.7 | -167.6 | 172.3 | 179.6 | 0 | 0 | 113.5 | F43 W48 | F43-E45 VanDerWaalsContact C-N 3.26Å; F43-E45 PolarHBondContact O-N 3.26Å; E45-W48 PolarHBondContact O-NE1 3.35Å |
| 46 | Y | 79.2 | Confident | 79.1 | Confident | 169 Ų | 169 | 114.6 Ų | 114.6 | 66% | 0.663 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -94.4 | -20.6 | 175.2 | -64.5 | -70.7 | 0 | 0 | 0 | 113.2 | F43 A44 | F43-Y46 HydrophobicContact CD1-CD2 4.34Å; F43-Y46 WeakPolarHBondContact O-CA 3.45Å; F43-Y46 PolarHBondContact O-N 3.16Å; A44-Y46 PolarHBondContact O-N 2.91Å |
| 47 | M | 81.5 | Confident | 80.9 | Confident | 94 Ų | 94 | 112 Ų | 112 | 46% | 0.463 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -90.8 | -5.9 | -179 | -65.7 | -65.8 | -66.3 | 0 | 0 | 113.5 | F43 A44 M49 E50 | F43-M47 WeakPolarHBondContact O-CG 3.44Å; F43-M47 PolarHBondContact O-N 3.33Å; A44-M47 PolarHBondContact O-N 3.13Å; A44-M47 VanDerWaalsContact O-N 3.17Å; M47-M49 PolarHBondContact O-N 3.18Å; M47-E50 VanDerWaalsContact CE-OE2 3.22Å; M47-E50 WeakPolarHBondContact CE-OE2 3.23Å; M47-E50 WeakPolarHBondContact O-CB 3.27Å; M47-E50 PolarHBondContact O-N 3.27Å |
| 48 | W | 80.3 | Confident | 82.4 | Confident | 163 Ų | 163 | 114.9 Ų | 114.9 | 62% | 0.617 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -49.7 | -32.2 | 178.2 | 71.8 | -62.1 | 0 | 0 | 0 | 114.6 | A44 E45 E50 N51 E52 | A44-W48 PolarHBondContact O-N 2.83Å; E45-W48 PolarHBondContact O-NE1 3.35Å; W48-E50 PolarHBondContact O-N 3.11Å; W48-N51 CarbonylContact O-C 3.6Å; W48-N51 PolarHBondContact O-N 3.11Å; W48-E52 PolarHBondContact O-N 2.94Å |
| 49 | M | 79.5 | Confident | 84.1 | Confident | 124 Ų | 124 | 110.5 Ų | 110.5 | 61% | 0.611 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -63 | -26.1 | 177.3 | -64.2 | -171.4 | -45.1 | 0 | 0 | 113.6 | M47 N51 E52 | M47-M49 PolarHBondContact O-N 3.18Å; M49-N51 PolarHBondContact O-N 3.25Å; M49-E52 PolarHBondContact O-N 3.21Å |
| 50 | E | 80.8 | Confident | 85.6 | Confident | 149 Ų | 149 | 108.7 Ų | 108.7 | 70% | 0.696 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -66.6 | -29.5 | 178.1 | -174.5 | 172.9 | -158.9 | 0 | 0 | 111.8 | M47 W48 | M47-E50 VanDerWaalsContact CE-OE2 3.22Å; M47-E50 WeakPolarHBondContact CE-OE2 3.23Å; M47-E50 WeakPolarHBondContact O-CB 3.27Å; M47-E50 PolarHBondContact O-N 3.27Å; W48-E50 PolarHBondContact O-N 3.11Å |
| 51 | N | 83 | Confident | 86.6 | Confident | 102 Ų | 102 | 112.2 Ų | 112.2 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -109.8 | 12.1 | 179 | -72.7 | 98.4 | 0 | 0 | 0 | 113 | W48 M49 E53 E54 Y55 | W48-N51 CarbonylContact O-C 3.6Å; W48-N51 PolarHBondContact O-N 3.11Å; M49-N51 PolarHBondContact O-N 3.25Å; N51-E53 VanDerWaalsContact C-N 3.35Å; N51-E53 PolarHBondContact O-N 3.12Å; N51-E54 WeakPolarHBondContact O-CB 3.39Å; N51-E54 PolarHBondContact O-N 3.45Å; N51-E54 VanDerWaalsContact O-N 3.15Å; N51-Y55 PolarHBondContact O-N 3Å |
| 52 | E | 88.9 | Confident | 87.5 | Confident | 85 Ų | 85 | 113.1 Ų | 113.1 | 40% | 0.397 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.4 | -44.5 | -176.2 | 178.6 | -179.1 | -166.8 | 0 | 0 | 112.2 | W48 M49 E54 Y55 N56 | W48-E52 PolarHBondContact O-N 2.94Å; M49-E52 PolarHBondContact O-N 3.21Å; E52-E54 VanDerWaalsContact C-N 3.3Å; E52-E54 PolarHBondContact O-N 3.44Å; E52-Y55 PolarHBondContact O-N 3.27Å; E52-N56 WeakPolarHBondContact O-CB 3.41Å; E52-N56 PolarHBondContact O-N 3.18Å; E52-N56 PolarHBondContact O-ND2 3.31Å |
| 53 | E | 88.7 | Confident | 88.3 | Confident | 170 Ų | 170 | 113.3 Ų | 113.3 | 79% | 0.794 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.2 | -34.7 | 179.2 | -65.3 | -176.9 | 178.1 | 0 | 0 | 112.5 | N51 R57 | N51-E53 VanDerWaalsContact C-N 3.35Å; N51-E53 PolarHBondContact O-N 3.12Å; E53-R57 WeakPolarHBondContact O-CB 3.5Å; E53-R57 PolarHBondContact O-N 3.08Å; E53-R57 VanDerWaalsContact O-N 3.08Å |
| 54 | E | 90.8 | Very high | 89 | Confident | 93 Ų | 93 | 112 Ų | 112 | 44% | 0.435 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.3 | -44.6 | 177.8 | -176.2 | 65.1 | -156.6 | 0 | 0 | 111.1 | N51 E52 R57 Q58 | N51-E54 WeakPolarHBondContact O-CB 3.39Å; N51-E54 PolarHBondContact O-N 3.45Å; N51-E54 VanDerWaalsContact O-N 3.15Å; E52-E54 VanDerWaalsContact C-N 3.3Å; E52-E54 PolarHBondContact O-N 3.44Å; E54-R57 PolarHBondContact O-N 3.1Å; E54-R57 IonicContact OE1-CZ 3.97Å; E54-R57 IonicContact OE1-NH1 3.63Å; E54-R57 IonicContact OE1-NH2 3.53Å; E54-R57 PolarHBondContact OE1-NH2 3.28Å; E54-R57 IonicContact OE2-CZ 3.08Å; E54-R57 IonicContact OE2-NH1 2.74Å; E54-R57 PolarHBondContact OE2-NH1 3.43Å; E54-R57 IonicContact OE2-NH2 3.8Å; E54-R57 PolarHBondContact OE2-NH2 2.87Å; E54-Q58 WeakPolarHBondContact O-CB 3.24Å; E54-Q58 PolarHBondContact O-N 3.44Å |
| 55 | Y | 92.5 | Very high | 89.9 | Confident | 108 Ų | 108 | 116 Ų | 116 | 42% | 0.424 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 175.6 | 178 | -94.1 | 0 | 0 | 0 | 111.3 | H33 N51 E52 R57 Q58 V59 | H33-Y55 AromaticContact NE2-CE2 3.97Å; N51-Y55 PolarHBondContact O-N 3Å; E52-Y55 PolarHBondContact O-N 3.27Å; Y55-R57 VanDerWaalsContact C-N 3.31Å; Y55-R57 PolarHBondContact O-N 3.05Å; Y55-Q58 PolarHBondContact O-N 3.46Å; Y55-V59 HydrophobicContact CD1-CG2 4.06Å; Y55-V59 HydrophobicContact CD2-CG2 4.43Å; Y55-V59 HydrophobicContact CE1-CG2 3.6Å; Y55-V59 HydrophobicContact CE2-CG2 4.03Å; Y55-V59 HydrophobicContact CG-CG2 4.45Å; Y55-V59 WeakPolarHBondContact O-CG2 3.37Å; Y55-V59 PolarHBondContact O-N 3.28Å |
| 56 | N | 93.8 | Very high | 90.9 | Very high | 83 Ų | 83 | 113.7 Ų | 113.7 | 44% | 0.444 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60 | -42.7 | 178.1 | -72.5 | -16.7 | 0 | 0 | 0 | 111.5 | E52 V59 E60 | E52-N56 WeakPolarHBondContact O-CB 3.41Å; E52-N56 PolarHBondContact O-N 3.18Å; E52-N56 PolarHBondContact O-ND2 3.31Å; N56-V59 PolarHBondContact O-N 3.17Å; N56-E60 WeakPolarHBondContact O-CB 3.47Å; N56-E60 PolarHBondContact O-N 2.7Å |
| 57 | R | 96.4 | Very high | 91.8 | Very high | 115 Ų | 115 | 111.5 Ų | 111.5 | 43% | 0.434 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 175.7 | -171.3 | 177 | 78.1 | -119.6 | 2.8 | 111.7 | E53 E54 Y55 E60 E61 | E53-R57 WeakPolarHBondContact O-CB 3.5Å; E53-R57 PolarHBondContact O-N 3.08Å; E53-R57 VanDerWaalsContact O-N 3.08Å; E54-R57 PolarHBondContact O-N 3.1Å; E54-R57 IonicContact OE1-CZ 3.97Å; E54-R57 IonicContact OE1-NH1 3.63Å; E54-R57 IonicContact OE1-NH2 3.53Å; E54-R57 PolarHBondContact OE1-NH2 3.28Å; E54-R57 IonicContact OE2-CZ 3.08Å; E54-R57 IonicContact OE2-NH1 2.74Å; E54-R57 PolarHBondContact OE2-NH1 3.43Å; E54-R57 IonicContact OE2-NH2 3.8Å; E54-R57 PolarHBondContact OE2-NH2 2.87Å; Y55-R57 VanDerWaalsContact C-N 3.31Å; Y55-R57 PolarHBondContact O-N 3.05Å; R57-E60 PolarHBondContact O-N 3.22Å; R57-E61 HydrophobicContact CG-CG 4.49Å; R57-E61 WeakPolarHBondContact CG-OE1 3.15Å; R57-E61 IonicContact NE-OE1 2.75Å; R57-E61 WeakPolarHBondContact O-CB 3.41Å; R57-E61 WeakPolarHBondContact O-CG 3.38Å; R57-E61 PolarHBondContact O-N 2.96Å |
| 58 | Q | 96.4 | Very high | 92.6 | Very high | 99 Ų | 99 | 113.2 Ų | 113.2 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 178.1 | -179.2 | 175.4 | 38.1 | 0 | 0 | 111.7 | E54 Y55 E60 E61 E62 | E54-Q58 WeakPolarHBondContact O-CB 3.24Å; E54-Q58 PolarHBondContact O-N 3.44Å; Y55-Q58 PolarHBondContact O-N 3.46Å; Q58-E60 VanDerWaalsContact C-N 3.32Å; Q58-E60 PolarHBondContact O-N 2.89Å; Q58-E61 PolarHBondContact O-N 3.07Å; Q58-E62 WeakPolarHBondContact O-CG 3.48Å; Q58-E62 PolarHBondContact O-N 3.37Å |
| 59 | V | 96.9 | Very high | 93.4 | Very high | 44 Ų | 44 | 109 Ų | 109 | 27% | 0.267 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 178 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | Y55 N56 E62 L63 | Y55-V59 HydrophobicContact CD1-CG2 4.06Å; Y55-V59 HydrophobicContact CD2-CG2 4.43Å; Y55-V59 HydrophobicContact CE1-CG2 3.6Å; Y55-V59 HydrophobicContact CE2-CG2 4.03Å; Y55-V59 HydrophobicContact CG-CG2 4.45Å; Y55-V59 WeakPolarHBondContact O-CG2 3.37Å; Y55-V59 PolarHBondContact O-N 3.28Å; N56-V59 PolarHBondContact O-N 3.17Å; V59-E62 PolarHBondContact O-N 2.78Å; V59-L63 HydrophobicContact CG1-CD1 4.27Å; V59-L63 WeakPolarHBondContact O-CG 3.3Å; V59-L63 PolarHBondContact O-N 3.04Å |
| 60 | E | 96.6 | Very high | 94.3 | Very high | 124 Ų | 124 | 108.8 Ų | 108.8 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.9 | -44.1 | 175.3 | -173.8 | 175.4 | -163.8 | 0 | 0 | 111.6 | N56 R57 Q58 L63 L64 | N56-E60 WeakPolarHBondContact O-CB 3.47Å; N56-E60 PolarHBondContact O-N 2.7Å; R57-E60 PolarHBondContact O-N 3.22Å; Q58-E60 VanDerWaalsContact C-N 3.32Å; Q58-E60 PolarHBondContact O-N 2.89Å; E60-L63 PolarHBondContact O-N 3.3Å; E60-L64 HydrophobicContact CG-CD1 4.35Å; E60-L64 WeakPolarHBondContact O-CG 3.47Å; E60-L64 PolarHBondContact O-N 2.63Å |
| 61 | E | 97.1 | Very high | 95.1 | Very high | 112 Ų | 112 | 109.4 Ų | 109.4 | 52% | 0.523 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 174.9 | -74.4 | 174.8 | -169.2 | 0 | 0 | 111.9 | R57 Q58 L64 E65 | R57-E61 HydrophobicContact CG-CG 4.49Å; R57-E61 WeakPolarHBondContact CG-OE1 3.15Å; R57-E61 IonicContact NE-OE1 2.75Å; R57-E61 WeakPolarHBondContact O-CB 3.41Å; R57-E61 WeakPolarHBondContact O-CG 3.38Å; R57-E61 PolarHBondContact O-N 2.96Å; Q58-E61 PolarHBondContact O-N 3.07Å; E61-L64 PolarHBondContact O-N 3.02Å; E61-E65 PolarHBondContact O-N 3.49Å |
| 62 | E | 97 | Very high | 95.8 | Very high | 109 Ų | 109 | 106.7 Ų | 106.7 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 176.5 | -75.8 | 177 | -170.5 | 0 | 0 | 112.1 | Q58 V59 L64 E65 Q66 | Q58-E62 WeakPolarHBondContact O-CG 3.48Å; Q58-E62 PolarHBondContact O-N 3.37Å; V59-E62 PolarHBondContact O-N 2.78Å; E62-L64 VanDerWaalsContact C-N 3.34Å; E62-L64 PolarHBondContact O-N 3.07Å; E62-E65 PolarHBondContact O-N 2.93Å; E62-Q66 WeakPolarHBondContact O-CB 3.46Å; E62-Q66 PolarHBondContact O-N 3.18Å |
| 63 | L | 97.8 | Very high | 96.1 | Very high | 110 Ų | 110 | 108.8 Ų | 108.8 | 58% | 0.576 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.2 | -39.3 | 176.5 | -74.1 | 170.4 | 0 | 0 | 0 | 112.1 | V59 E60 Q66 E67 | V59-L63 HydrophobicContact CG1-CD1 4.27Å; V59-L63 WeakPolarHBondContact O-CG 3.3Å; V59-L63 PolarHBondContact O-N 3.04Å; E60-L63 PolarHBondContact O-N 3.3Å; L63-Q66 PolarHBondContact O-N 3.33Å; L63-E67 PolarHBondContact O-N 3.14Å |
| 64 | L | 97.9 | Very high | 96.4 | Very high | 100 Ų | 100 | 105 Ų | 105 | 52% | 0.524 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 176.2 | -73.7 | 169.3 | 0 | 0 | 0 | 112.1 | E60 E61 E62 Q66 E67 F68 | E60-L64 HydrophobicContact CG-CD1 4.35Å; E60-L64 WeakPolarHBondContact O-CG 3.47Å; E60-L64 PolarHBondContact O-N 2.63Å; E61-L64 PolarHBondContact O-N 3.02Å; E62-L64 VanDerWaalsContact C-N 3.34Å; E62-L64 PolarHBondContact O-N 3.07Å; L64-Q66 VanDerWaalsContact C-N 3.29Å; L64-Q66 PolarHBondContact O-N 3.47Å; L64-E67 PolarHBondContact O-N 2.94Å; L64-F68 WeakPolarHBondContact O-CB 3.42Å; L64-F68 PolarHBondContact O-N 3.16Å |
| 65 | E | 97.4 | Very high | 96.6 | Very high | 123 Ų | 123 | 106.5 Ų | 106.5 | 58% | 0.575 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.1 | -41.9 | 174.2 | -177 | 176.5 | -172.1 | 0 | 0 | 110.8 | E61 E62 F68 L69 | E61-E65 PolarHBondContact O-N 3.49Å; E62-E65 PolarHBondContact O-N 2.93Å; E65-F68 WeakPolarHBondContact O-CB 3.38Å; E65-F68 PolarHBondContact O-N 2.97Å; E65-L69 HydrophobicContact CG-CD1 4.19Å; E65-L69 HydrophobicContact CG-CG 4.5Å; E65-L69 WeakPolarHBondContact O-CG 3.33Å; E65-L69 PolarHBondContact O-N 3.35Å |
| 66 | Q | 97.3 | Very high | 96.4 | Very high | 112 Ų | 112 | 107 Ų | 107 | 52% | 0.523 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 178.9 | -159.5 | 179.1 | -41 | 0 | 0 | 111.8 | E62 L63 L64 F68 L69 E70 | E62-Q66 WeakPolarHBondContact O-CB 3.46Å; E62-Q66 PolarHBondContact O-N 3.18Å; L63-Q66 PolarHBondContact O-N 3.33Å; L64-Q66 VanDerWaalsContact C-N 3.29Å; L64-Q66 PolarHBondContact O-N 3.47Å; Q66-F68 VanDerWaalsContact C-N 3.3Å; Q66-F68 PolarHBondContact O-N 3.33Å; Q66-L69 PolarHBondContact O-N 3.49Å; Q66-E70 WeakPolarHBondContact O-CG 3.37Å; Q66-E70 PolarHBondContact O-N 2.88Å |
| 67 | E | 97.3 | Very high | 96.3 | Very high | 122 Ų | 122 | 107.4 Ų | 107.4 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.4 | -40.8 | 174.9 | -175.2 | -178.3 | -177.6 | 0 | 0 | 111.8 | L63 L64 E70 R71 | L63-E67 PolarHBondContact O-N 3.14Å; L64-E67 PolarHBondContact O-N 2.94Å; E67-E70 PolarHBondContact O-N 3.26Å; E67-R71 PolarHBondContact O-N 3.5Å |
| 68 | F | 98.2 | Very high | 95.9 | Very high | 131 Ų | 131 | 106.3 Ų | 106.3 | 58% | 0.575 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.4 | -48.8 | 177.6 | 171.9 | -98.4 | 0 | 0 | 0 | 111.9 | L64 E65 Q66 E70 R71 C72 | L64-F68 WeakPolarHBondContact O-CB 3.42Å; L64-F68 PolarHBondContact O-N 3.16Å; E65-F68 WeakPolarHBondContact O-CB 3.38Å; E65-F68 PolarHBondContact O-N 2.97Å; Q66-F68 VanDerWaalsContact C-N 3.3Å; Q66-F68 PolarHBondContact O-N 3.33Å; F68-E70 PolarHBondContact O-N 2.93Å; F68-R71 PolarHBondContact O-N 2.92Å; F68-C72 VanDerWaalsContact CZ-SG 3.54Å; F68-C72 PolarHBondContact O-N 3.49Å; F68-C72 PolarHBondContact O-SG 3.03Å |
| 69 | L | 98.1 | Very high | 95.3 | Very high | 75 Ų | 75 | 107.5 Ų | 107.5 | 39% | 0.393 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 179 | -70.1 | 173.4 | 0 | 0 | 0 | 111.8 | E65 Q66 R71 C72 F73 | E65-L69 HydrophobicContact CG-CD1 4.19Å; E65-L69 HydrophobicContact CG-CG 4.5Å; E65-L69 WeakPolarHBondContact O-CG 3.33Å; E65-L69 PolarHBondContact O-N 3.35Å; Q66-L69 PolarHBondContact O-N 3.49Å; L69-R71 VanDerWaalsContact C-N 3.31Å; L69-R71 PolarHBondContact O-N 3.04Å; L69-C72 PolarHBondContact O-N 3.49Å; L69-F73 HydrophobicContact CB-CE2 4.45Å; L69-F73 WeakPolarHBondContact O-CD2 3.48Å; L69-F73 PolarHBondContact O-N 3.49Å |
| 70 | E | 97.7 | Very high | 94.4 | Very high | 118 Ų | 118 | 112 Ų | 112 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.2 | -42.7 | 175.8 | -75.4 | 179.7 | -166.1 | 0 | 0 | 111.6 | Q66 E67 F68 F73 Q74 | Q66-E70 WeakPolarHBondContact O-CG 3.37Å; Q66-E70 PolarHBondContact O-N 2.88Å; E67-E70 PolarHBondContact O-N 3.26Å; F68-E70 PolarHBondContact O-N 2.93Å; E70-F73 PolarHBondContact O-N 3.05Å; E70-Q74 WeakPolarHBondContact O-CB 3.19Å; E70-Q74 PolarHBondContact O-N 3.17Å |
| 71 | R | 97.3 | Very high | 93.5 | Very high | 163 Ų | 163 | 112.8 Ų | 112.8 | 62% | 0.615 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.6 | -44 | 175.4 | -176.5 | 61.9 | 64.1 | 161.8 | 3.9 | 112.4 | E67 F68 L69 F73 Q74 E75 | E67-R71 PolarHBondContact O-N 3.5Å; F68-R71 PolarHBondContact O-N 2.92Å; L69-R71 VanDerWaalsContact C-N 3.31Å; L69-R71 PolarHBondContact O-N 3.04Å; R71-F73 PolarHBondContact O-N 3.47Å; R71-Q74 PolarHBondContact O-N 3.49Å; R71-E75 PolarHBondContact O-N 3.43Å |
| 72 | C | 97 | Very high | 92.2 | Very high | 45 Ų | 45 | 114.7 Ų | 114.7 | 30% | 0.304 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 178.9 | -74.5 | 0 | 0 | 0 | 0 | 112.5 | F68 L69 M76 | F68-C72 VanDerWaalsContact CZ-SG 3.54Å; F68-C72 PolarHBondContact O-N 3.49Å; F68-C72 PolarHBondContact O-SG 3.03Å; L69-C72 PolarHBondContact O-N 3.49Å; C72-M76 PolarHBondContact O-N 3.24Å; C72-M76 VanDerWaalsContact O-N 3.14Å |
| 73 | F | 95.6 | Very high | 90.6 | Very high | 128 Ų | 128 | 116 Ų | 116 | 56% | 0.561 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.2 | -40.3 | 175.9 | -71.6 | -55.1 | 0 | 0 | 0 | 112 | L69 E70 R71 M76 L77 | L69-F73 HydrophobicContact CB-CE2 4.45Å; L69-F73 WeakPolarHBondContact O-CD2 3.48Å; L69-F73 PolarHBondContact O-N 3.49Å; E70-F73 PolarHBondContact O-N 3.05Å; R71-F73 PolarHBondContact O-N 3.47Å; F73-M76 PolarHBondContact O-N 2.98Å; F73-L77 WeakPolarHBondContact O-CG 3.39Å; F73-L77 PolarHBondContact O-N 3.44Å |
| 74 | Q | 95.9 | Very high | 88.7 | Confident | 90 Ų | 90 | 119.5 Ų | 119.5 | 42% | 0.421 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.1 | -44.4 | 178.2 | -173.1 | 62.3 | 30.5 | 0 | 0 | 111.7 | E70 R71 M76 L77 E78 | E70-Q74 WeakPolarHBondContact O-CB 3.19Å; E70-Q74 PolarHBondContact O-N 3.17Å; R71-Q74 PolarHBondContact O-N 3.49Å; Q74-M76 PolarHBondContact O-N 3.27Å; Q74-L77 PolarHBondContact O-N 3Å; Q74-E78 WeakPolarHBondContact CG-OE1 3.38Å; Q74-E78 PolarHBondContact NE2-OE1 3.02Å; Q74-E78 WeakPolarHBondContact O-CB 3.46Å; Q74-E78 VanDerWaalsContact O-CG 3.3Å; Q74-E78 WeakPolarHBondContact O-CG 3.34Å; Q74-E78 PolarHBondContact O-N 3.39Å |
| 75 | E | 93.4 | Very high | 86.5 | Confident | 126 Ų | 126 | 122.7 Ų | 122.7 | 59% | 0.589 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.6 | -43 | 176.1 | -176.9 | 176 | -176.3 | 0 | 0 | 111.9 | R71 L77 E78 E79 | R71-E75 PolarHBondContact O-N 3.43Å; E75-L77 PolarHBondContact O-N 3.49Å; E75-E78 PolarHBondContact O-N 2.98Å; E75-E79 WeakPolarHBondContact O-CB 3.11Å; E75-E79 PolarHBondContact O-N 3.43Å |
| 76 | M | 90.3 | Very high | 84.5 | Confident | 118 Ų | 118 | 120.3 Ų | 120.3 | 58% | 0.581 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.5 | -39.6 | 177.2 | -170.6 | -174.8 | -54.9 | 0 | 0 | 112.6 | C72 F73 Q74 E79 E80 | C72-M76 PolarHBondContact O-N 3.24Å; C72-M76 VanDerWaalsContact O-N 3.14Å; F73-M76 PolarHBondContact O-N 2.98Å; Q74-M76 PolarHBondContact O-N 3.27Å; M76-E79 PolarHBondContact O-N 3.35Å; M76-E80 PolarHBondContact O-N 3.48Å |
| 77 | L | 90.2 | Very high | 82.4 | Confident | 91 Ų | 91 | 118.9 Ų | 118.9 | 48% | 0.476 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.2 | -40.7 | 174.7 | -73.2 | 170.7 | 0 | 0 | 0 | 111.6 | F73 Q74 E75 E79 E80 D81 | F73-L77 WeakPolarHBondContact O-CG 3.39Å; F73-L77 PolarHBondContact O-N 3.44Å; Q74-L77 PolarHBondContact O-N 3Å; E75-L77 PolarHBondContact O-N 3.49Å; L77-E79 VanDerWaalsContact C-N 3.33Å; L77-E80 PolarHBondContact O-N 3.02Å; L77-D81 WeakPolarHBondContact O-CB 3.35Å; L77-D81 PolarHBondContact O-N 2.96Å |
| 78 | E | 88.5 | Confident | 80.3 | Confident | 93 Ų | 93 | 117 Ų | 117 | 44% | 0.435 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.7 | -34 | 176.8 | -74.2 | 172.7 | -164.4 | 0 | 0 | 112.4 | Q74 E75 Q82 | Q74-E78 WeakPolarHBondContact CG-OE1 3.38Å; Q74-E78 PolarHBondContact NE2-OE1 3.02Å; Q74-E78 WeakPolarHBondContact O-CB 3.46Å; Q74-E78 VanDerWaalsContact O-CG 3.3Å; Q74-E78 WeakPolarHBondContact O-CG 3.34Å; Q74-E78 PolarHBondContact O-N 3.39Å; E75-E78 PolarHBondContact O-N 2.98Å; E78-Q82 WeakPolarHBondContact O-CG 3.3Å; E78-Q82 PolarHBondContact O-N 3.28Å; E78-Q82 VanDerWaalsContact O-N 3.17Å; E78-Q82 PolarHBondContact O-NE2 2.99Å |
| 79 | E | 84.1 | Confident | 78 | Confident | 124 Ų | 124 | 120.6 Ų | 120.6 | 58% | 0.579 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.8 | -45.5 | 172 | -173.1 | -179.9 | 178.6 | 0 | 0 | 111.3 | E75 M76 L77 D81 Q82 D83 | E75-E79 WeakPolarHBondContact O-CB 3.11Å; E75-E79 PolarHBondContact O-N 3.43Å; M76-E79 PolarHBondContact O-N 3.35Å; L77-E79 VanDerWaalsContact C-N 3.33Å; E79-D81 PolarHBondContact O-N 3.41Å; E79-Q82 PolarHBondContact O-N 3.36Å; E79-Q82 VanDerWaalsContact O-N 3.16Å; E79-D83 PolarHBondContact O-N 2.94Å |
| 80 | E | 77.4 | Confident | 75.8 | Confident | 137 Ų | 137 | 124.2 Ų | 124.2 | 64% | 0.64 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60.8 | -44.4 | 175.3 | -176.2 | -178.5 | -162.3 | 0 | 0 | 112 | M76 L77 Q82 D83 | M76-E80 PolarHBondContact O-N 3.48Å; L77-E80 PolarHBondContact O-N 3.02Å; E80-Q82 PolarHBondContact O-N 3.26Å; E80-D83 PolarHBondContact O-N 2.99Å |
| 81 | D | 78.6 | Confident | 73.6 | Confident | 142 Ų | 142 | 121.4 Ų | 121.4 | 76% | 0.759 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.3 | -29.7 | 176.8 | -89.3 | -7.3 | 0 | 0 | 0 | 112.1 | L77 E79 | L77-D81 WeakPolarHBondContact O-CB 3.35Å; L77-D81 PolarHBondContact O-N 2.96Å; E79-D81 PolarHBondContact O-N 3.41Å |
| 82 | Q | 69.1 | Low | 71.6 | Confident | 151 Ų | 151 | 119.6 Ų | 119.6 | 71% | 0.706 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -78.9 | -30.1 | 175.9 | -78.2 | 175.6 | 50 | 0 | 0 | 113.2 | E78 E79 E80 | E78-Q82 WeakPolarHBondContact O-CG 3.3Å; E78-Q82 PolarHBondContact O-N 3.28Å; E78-Q82 VanDerWaalsContact O-N 3.17Å; E78-Q82 PolarHBondContact O-NE2 2.99Å; E79-Q82 PolarHBondContact O-N 3.36Å; E79-Q82 VanDerWaalsContact O-N 3.16Å; E80-Q82 PolarHBondContact O-N 3.26Å |
| 83 | D | 62.9 | Low | 69.6 | Low | 136 Ų | 136 | 124.7 Ų | 124.7 | 73% | 0.727 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -94.2 | 16.7 | -173.5 | -107.7 | -5.3 | 0 | 0 | 0 | 115.8 | E79 E80 | E79-D83 PolarHBondContact O-N 2.94Å; E80-D83 PolarHBondContact O-N 2.99Å |
| 84 | W | 59.2 | Low | 67.7 | Low | 185 Ų | 185 | 126.6 Ų | 126.6 | 70% | 0.701 | 62% | 0.618 | S | S | * | * | trans | -97.1 | 43.6 | 160.4 | -154.1 | -81 | 0 | 0 | 0 | 113.1 | I86 | W84-I86 VanDerWaalsContact C-N 3.28Å; W84-I86 HydrophobicContact CD2-CD1 4.39Å; W84-I86 HydrophobicContact CD2-CG1 4.47Å; W84-I86 HydrophobicContact CG-CG1 4.45Å; W84-I86 HydrophobicContact CZ2-CD1 3.48Å; W84-I86 VanDerWaalsContact CZ2-CD1 3.48Å; W84-I86 HydrophobicContact CZ2-CG1 4.4Å; W84-I86 PolarHBondContact O-N 3.14Å | ||
| 85 | F | 51.9 | Low | 65.8 | Low | 167 Ų | 167 | 123.2 Ų | 123.2 | 73% | 0.732 | 61% | 0.608 | S | S | * | * | trans | -76 | 88.8 | 157.9 | -151.7 | -96.7 | 0 | 0 | 0 | 108.2 | P87 | F85-P87 HydrophobicContact CD1-CB 4.37Å; F85-P87 HydrophobicContact CD1-CG 3.86Å; F85-P87 HydrophobicContact CE1-CB 4.14Å; F85-P87 HydrophobicContact CE1-CG 4.09Å; F85-P87 WeakPolarHBondContact O-CD 3.45Å | ||
| 86 | I | 54.5 | Low | 64.4 | Low | 72 Ų | 72 | 120 Ų | 120 | 37% | 0.369 | 60% | 0.597 | S | S | . | * | trans | -84.1 | 104.3 | 157 | -63.6 | -171.8 | 0 | 0 | 0 | 106.1 | W84 S88 R89 | W84-I86 VanDerWaalsContact C-N 3.28Å; W84-I86 HydrophobicContact CD2-CD1 4.39Å; W84-I86 HydrophobicContact CD2-CG1 4.47Å; W84-I86 HydrophobicContact CG-CG1 4.45Å; W84-I86 HydrophobicContact CZ2-CD1 3.48Å; W84-I86 VanDerWaalsContact CZ2-CD1 3.48Å; W84-I86 HydrophobicContact CZ2-CG1 4.4Å; W84-I86 PolarHBondContact O-N 3.14Å; I86-S88 PolarHBondContact O-N 3.14Å; I86-R89 PolarHBondContact O-N 3.37Å; I86-R89 VanDerWaalsContact O-N 3.07Å | ||
| 87 | P | 52.8 | Low | 63.2 | Low | 82 Ų | 82 | 116.3 Ų | 116.3 | 53% | 0.532 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.6 | -21.2 | 177.3 | -21.7 | 32.4 | 0 | 0 | 0 | 112.9 | F85 | F85-P87 HydrophobicContact CD1-CB 4.37Å; F85-P87 HydrophobicContact CD1-CG 3.86Å; F85-P87 HydrophobicContact CE1-CB 4.14Å; F85-P87 HydrophobicContact CE1-CG 4.09Å; F85-P87 WeakPolarHBondContact O-CD 3.45Å |
| 88 | S | 53.9 | Low | 62.2 | Low | 82 Ų | 82 | 117.8 Ų | 117.8 | 57% | 0.573 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -19.1 | -178.8 | -38.6 | 0 | 0 | 0 | 0 | 115 | I86 | I86-S88 PolarHBondContact O-N 3.14Š|
| 89 | R | 49.6 | Very low | 61.3 | Low | 208 Ų | 208 | 117.1 Ų | 117.1 | 79% | 0.785 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -19.8 | -176.2 | -163 | 168.6 | 176.2 | 175.8 | -3.3 | 113.1 | I86 | I86-R89 PolarHBondContact O-N 3.37Å; I86-R89 VanDerWaalsContact O-N 3.07Å |
| 90 | D | 51.2 | Low | 60.6 | Low | 151 Ų | 151 | 116.4 Ų | 116.4 | 81% | 0.807 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -112.5 | 12.6 | 176.3 | -119.6 | -62.8 | 0 | 0 | 0 | 113.9 | N92 | D90-N92 VanDerWaalsContact C-N 3.28Å; D90-N92 PolarHBondContact O-N 3.02Å |
| 91 | L | 52.2 | Low | 60.4 | Low | 58 Ų | 58 | 116.8 Ų | 116.8 | 30% | 0.304 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -73.9 | 93.6 | 160.3 | -76.7 | 165.3 | 0 | 0 | 0 | 107.2 | N93 V96 L99 | L91-N93 PolarHBondContact O-N 3.03Å; L91-V96 HydrophobicContact CB-CG1 4.16Å; L91-V96 HydrophobicContact CD1-CG1 4.27Å; L91-L99 HydrophobicContact CD1-CD1 3.35Å; L91-L99 HydrophobicContact CD2-CD1 3.99Å; L91-L99 HydrophobicContact CG-CD1 4.34Å |
| 92 | N | 55.3 | Low | 60 | Low | 126 Ų | 126 | 115.7 Ų | 115.7 | 67% | 0.674 | 58% | 0.581 | S | S | * | * | trans | -23.2 | 122.1 | 157.6 | -169.2 | -3.3 | 0 | 0 | 0 | 109 | D90 Q94 G95 | D90-N92 VanDerWaalsContact C-N 3.28Å; D90-N92 PolarHBondContact O-N 3.02Å; N92-Q94 CarbonylContact O-C 3.57Å; N92-Q94 PolarHBondContact O-N 2.93Å; N92-G95 PolarHBondContact O-N 3.46Å | ||
| 93 | N | 54.8 | Low | 60.2 | Low | 151 Ų | 151 | 113.5 Ų | 113.5 | 81% | 0.807 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.7 | -6.1 | -170.4 | -92 | 6.4 | 0 | 0 | 0 | 115.7 | L91 | L91-N93 PolarHBondContact O-N 3.03Š|
| 94 | Q | 55 | Low | 60.5 | Low | 168 Ų | 168 | 112.8 Ų | 112.8 | 79% | 0.785 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -28.4 | 170.4 | -58 | -145.8 | -52.8 | 0 | 0 | 115 | N92 | N92-Q94 CarbonylContact O-C 3.57Å; N92-Q94 PolarHBondContact O-N 2.93Å |
| 95 | G | 57.5 | Low | 60.8 | Low | 20 Ų | 20 | 106.7 Ų | 106.7 | 21% | 0.206 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -81.8 | -31.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | N92 G97 Q98 L99 | N92-G95 PolarHBondContact O-N 3.46Å; G95-G97 VanDerWaalsContact C-N 3.31Å; G95-G97 PolarHBondContact O-N 3.43Å; G95-Q98 PolarHBondContact O-N 3.47Å; G95-Q98 VanDerWaalsContact O-N 3.07Å; G95-L99 PolarHBondContact O-N 2.89Å |
| 96 | V | 62.8 | Low | 61.5 | Low | 58 Ų | 58 | 105.1 Ų | 105.1 | 35% | 0.352 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.7 | -37.2 | 177.1 | -98.4 | 0 | 0 | 0 | 0 | 112.4 | L91 Q98 Q100 | L91-V96 HydrophobicContact CB-CG1 4.16Å; L91-V96 HydrophobicContact CD1-CG1 4.27Å; V96-Q98 VanDerWaalsContact C-N 3.32Å; V96-Q98 PolarHBondContact O-N 3.35Å; V96-Q100 VanDerWaalsContact O-CB 3.23Å; V96-Q100 WeakPolarHBondContact O-CB 3.39Å; V96-Q100 PolarHBondContact O-N 3.44Å |
| 97 | G | 65.6 | Low | 61.9 | Low | 40 Ų | 40 | 105.5 Ų | 105.5 | 41% | 0.412 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.6 | -28.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G95 Q101 | G95-G97 VanDerWaalsContact C-N 3.31Å; G95-G97 PolarHBondContact O-N 3.43Å; G97-Q101 WeakPolarHBondContact O-CG 3.4Å; G97-Q101 PolarHBondContact O-N 2.89Å; G97-Q101 PolarHBondContact O-NE2 2.89Å; G97-Q101 VanDerWaalsContact O-NE2 3.16Å |
| 98 | Q | 68.8 | Low | 62.1 | Low | 123 Ų | 123 | 108.5 Ų | 108.5 | 58% | 0.575 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -79.3 | -41.6 | 175.9 | -167.5 | 175 | 28.2 | 0 | 0 | 111.3 | G95 V96 Q101 Q102 | G95-Q98 PolarHBondContact O-N 3.47Å; G95-Q98 VanDerWaalsContact O-N 3.07Å; V96-Q98 VanDerWaalsContact C-N 3.32Å; V96-Q98 PolarHBondContact O-N 3.35Å; Q98-Q101 PolarHBondContact O-N 3.26Å; Q98-Q102 WeakPolarHBondContact O-CG 3.44Å; Q98-Q102 PolarHBondContact O-N 3.02Å |
| 99 | L | 70.1 | Confident | 62.3 | Low | 79 Ų | 79 | 108.5 Ų | 108.5 | 41% | 0.414 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.6 | -42.5 | 173.7 | -103 | 160.2 | 0 | 0 | 0 | 111.9 | L91 G95 Q101 Q102 L103 | L91-L99 HydrophobicContact CD1-CD1 3.35Å; L91-L99 HydrophobicContact CD2-CD1 3.99Å; L91-L99 HydrophobicContact CG-CD1 4.34Å; G95-L99 PolarHBondContact O-N 2.89Å; L99-Q101 VanDerWaalsContact C-N 3.27Å; L99-Q101 PolarHBondContact O-N 3.29Å; L99-Q102 PolarHBondContact O-N 2.67Å; L99-L103 WeakPolarHBondContact O-CB 3.47Å; L99-L103 PolarHBondContact O-N 3.21Å |
| 100 | Q | 69.9 | Low | 62.6 | Low | 109 Ų | 109 | 105 Ų | 105 | 51% | 0.509 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -59.4 | -39 | 174.6 | -169.6 | 76.4 | 76.4 | 0 | 0 | 111.3 | V96 N104 | V96-Q100 VanDerWaalsContact O-CB 3.23Å; V96-Q100 WeakPolarHBondContact O-CB 3.39Å; V96-Q100 PolarHBondContact O-N 3.44Å; Q100-N104 VanDerWaalsContact O-CB 3.28Å; Q100-N104 WeakPolarHBondContact O-CB 3.27Å; Q100-N104 PolarHBondContact O-N 3.22Å; Q100-N104 PolarHBondContact O-ND2 3.35Å; Q100-N104 PolarHBondContact O-OD1 3.23Å |
| 101 | Q | 72.4 | Confident | 63 | Low | 145 Ų | 145 | 104.4 Ų | 104.4 | 68% | 0.678 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.9 | -39.8 | 175 | -80.7 | 178.7 | 88.3 | 0 | 0 | 112.9 | G97 Q98 L99 G105 | G97-Q101 WeakPolarHBondContact O-CG 3.4Å; G97-Q101 PolarHBondContact O-N 2.89Å; G97-Q101 PolarHBondContact O-NE2 2.89Å; G97-Q101 VanDerWaalsContact O-NE2 3.16Å; Q98-Q101 PolarHBondContact O-N 3.26Å; L99-Q101 VanDerWaalsContact C-N 3.27Å; L99-Q101 PolarHBondContact O-N 3.29Å; Q101-G105 PolarHBondContact O-N 3.45Å; Q101-G105 VanDerWaalsContact O-N 3.11Å |
| 102 | Q | 71.3 | Confident | 63.3 | Low | 119 Ų | 119 | 108.8 Ų | 108.8 | 56% | 0.556 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.1 | -42.6 | 174.4 | -71.3 | -179.6 | 10.5 | 0 | 0 | 111.2 | Q98 L99 G105 L106 | Q98-Q102 WeakPolarHBondContact O-CG 3.44Å; Q98-Q102 PolarHBondContact O-N 3.02Å; L99-Q102 PolarHBondContact O-N 2.67Å; Q102-G105 WeakPolarHBondContact O-CA 3.37Å; Q102-G105 PolarHBondContact O-N 2.94Å; Q102-G105 VanDerWaalsContact O-N 3.11Å; Q102-L106 PolarHBondContact O-N 2.87Å |
| 103 | L | 71.9 | Confident | 63.5 | Low | 105 Ų | 105 | 106.9 Ų | 106.9 | 55% | 0.55 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.7 | -40 | 178.7 | -151.6 | 80.8 | 0 | 0 | 0 | 112.1 | L99 G105 L106 | L99-L103 WeakPolarHBondContact O-CB 3.47Å; L99-L103 PolarHBondContact O-N 3.21Å; L103-G105 PolarHBondContact O-N 2.98Å; L103-L106 HydrophobicContact CD1-CD1 4.03Å; L103-L106 WeakPolarHBondContact O-CB 3.41Å; L103-L106 PolarHBondContact O-N 3.46Å; L103-L106 VanDerWaalsContact O-N 3.13Å |
| 104 | N | 69.9 | Low | 64 | Low | 120 Ų | 120 | 104.3 Ų | 104.3 | 64% | 0.642 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.5 | -21.7 | 172.5 | -70.8 | -16.1 | 0 | 0 | 0 | 112.5 | Q100 | Q100-N104 VanDerWaalsContact O-CB 3.28Å; Q100-N104 WeakPolarHBondContact O-CB 3.27Å; Q100-N104 PolarHBondContact O-N 3.22Å; Q100-N104 PolarHBondContact O-ND2 3.35Å; Q100-N104 PolarHBondContact O-OD1 3.23Å |
| 105 | G | 65.6 | Low | 64.7 | Low | 57 Ų | 57 | 101.2 Ų | 101.2 | 59% | 0.588 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -85.9 | -14.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q101 Q102 L103 S107 | Q101-G105 PolarHBondContact O-N 3.45Å; Q101-G105 VanDerWaalsContact O-N 3.11Å; Q102-G105 WeakPolarHBondContact O-CA 3.37Å; Q102-G105 PolarHBondContact O-N 2.94Å; Q102-G105 VanDerWaalsContact O-N 3.11Å; L103-G105 PolarHBondContact O-N 2.98Å; G105-S107 PolarHBondContact O-N 2.94Å |
| 106 | L | 66.7 | Low | 65.3 | Low | 135 Ų | 135 | 105.6 Ų | 105.6 | 71% | 0.707 | 59% | 0.586 | S | S | * | * | trans | -77.6 | 62 | 171.5 | -62.4 | 176 | 0 | 0 | 0 | 109.8 | Q102 L103 | Q102-L106 PolarHBondContact O-N 2.87Å; L103-L106 HydrophobicContact CD1-CD1 4.03Å; L103-L106 WeakPolarHBondContact O-CB 3.41Å; L103-L106 PolarHBondContact O-N 3.46Å; L103-L106 VanDerWaalsContact O-N 3.13Å | ||
| 107 | S | 63 | Low | 65.9 | Low | 80 Ų | 80 | 107.7 Ų | 107.7 | 56% | 0.559 | 59% | 0.593 | S | S | * | * | trans | -73.4 | 135.6 | 161.3 | 74.7 | 0 | 0 | 0 | 0 | 108 | G105 S109 | G105-S107 PolarHBondContact O-N 2.94Å; S107-S109 PolarHBondContact O-N 2.99Å; S107-S109 PolarHBondContact OG-OG 2.9Å; S107-S109 VanDerWaalsContact OG-OG 3.1Å | ||
| 108 | V | 57 | Low | 66.4 | Low | 144 Ų | 144 | 109.9 Ų | 109.9 | 87% | 0.873 | 60% | 0.598 | S | S | * | * | trans | -68.3 | 81.2 | 161 | 178.8 | 0 | 0 | 0 | 0 | 105.8 | D110 | V108-D110 PolarHBondContact O-N 3.37Š| ||
| 109 | S | 57.2 | Low | 66.5 | Low | 83 Ų | 83 | 107.1 Ų | 107.1 | 58% | 0.58 | 60% | 0.596 | S | S | * | * | trans | -65.6 | 120.9 | 164.9 | -72.6 | 0 | 0 | 0 | 0 | 105.8 | S107 H111 | S107-S109 PolarHBondContact O-N 2.99Å; S107-S109 PolarHBondContact OG-OG 2.9Å; S107-S109 VanDerWaalsContact OG-OG 3.1Å; S109-H111 PolarHBondContact O-N 3.36Å | ||
| 110 | D | 56.6 | Low | 66.7 | Low | 135 Ų | 135 | 112.4 Ų | 112.4 | 72% | 0.722 | 61% | 0.61 | S | S | * | * | trans | -65.7 | 49.9 | -178 | -137.6 | -34.9 | 0 | 0 | 0 | 111.5 | V108 H112 | V108-D110 PolarHBondContact O-N 3.37Å; D110-H112 VanDerWaalsContact C-N 3.26Å; D110-H112 PolarHBondContact O-N 2.95Å; D110-H112 IonicContact OD1-CD2 2.7Å; D110-H112 IonicContact OD1-NE2 2.79Å | ||
| 111 | H | 58.7 | Low | 67.3 | Low | 138 Ų | 138 | 114.5 Ų | 114.5 | 64% | 0.639 | 62% | 0.618 | S | S | * | * | trans | -87.6 | 76.2 | -175.1 | -127.3 | 37.7 | 0 | 0 | 0 | 108.1 | S109 S113 N114 | S109-H111 PolarHBondContact O-N 3.36Å; H111-S113 PolarHBondContact O-N 3.15Å; H111-N114 PolarHBondContact O-N 3.39Å | ||
| 112 | H | 59.3 | Low | 67.6 | Low | 149 Ų | 149 | 110.2 Ų | 110.2 | 69% | 0.69 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -41.1 | -25.2 | 169.9 | -90.2 | -87.8 | 0 | 0 | 0 | 114 | D110 | D110-H112 VanDerWaalsContact C-N 3.26Å; D110-H112 PolarHBondContact O-N 2.95Å; D110-H112 IonicContact OD1-CD2 2.7Å; D110-H112 IonicContact OD1-NE2 2.79Å |
| 113 | S | 59.1 | Low | 68.2 | Low | 87 Ų | 87 | 112.7 Ų | 112.7 | 61% | 0.608 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.9 | -26.3 | 178.6 | -52.5 | 0 | 0 | 0 | 0 | 115.2 | H111 | H111-S113 PolarHBondContact O-N 3.15Å |
| 114 | N | 65 | Low | 68.7 | Low | 97 Ų | 97 | 114 Ų | 114 | 52% | 0.519 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -85.2 | -33.9 | -178.8 | -170.8 | -98.3 | 0 | 0 | 0 | 112.4 | H111 E116 E117 V118 | H111-N114 PolarHBondContact O-N 3.39Å; N114-E116 VanDerWaalsContact C-N 3.27Å; N114-E116 PolarHBondContact O-N 3.37Å; N114-E117 PolarHBondContact O-N 3.21Å; N114-V118 WeakPolarHBondContact O-CG2 3.33Å; N114-V118 PolarHBondContact O-N 3.3Å; N114-V118 VanDerWaalsContact O-N 3.12Å |
| 115 | V | 69.9 | Low | 69.1 | Low | 102 Ų | 102 | 113.3 Ų | 113.3 | 62% | 0.618 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -58.8 | -39.5 | 179.9 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | V118 A119 | V115-V118 PolarHBondContact O-N 3.39Å; V115-A119 VanDerWaalsContact O-CB 3.27Å; V115-A119 WeakPolarHBondContact O-CB 3.49Å; V115-A119 PolarHBondContact O-N 3.08Å |
| 116 | E | 71.4 | Confident | 69.8 | Low | 112 Ų | 112 | 116.2 Ų | 116.2 | 52% | 0.523 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -68.8 | -37.1 | -178.9 | -118.9 | -174.3 | 131.5 | 0 | 0 | 113.2 | N114 R120 | N114-E116 VanDerWaalsContact C-N 3.27Å; N114-E116 PolarHBondContact O-N 3.37Å; E116-R120 WeakPolarHBondContact O-CB 3.47Å; E116-R120 WeakPolarHBondContact O-CD 3.49Å; E116-R120 WeakPolarHBondContact O-CG 3.33Å; E116-R120 PolarHBondContact O-N 3.23Å; E116-R120 VanDerWaalsContact O-N 3.1Å; E116-R120 IonicContact OE1-CZ 3.81Å; E116-R120 IonicContact OE1-NH2 3.72Å; E116-R120 PolarHBondContact OE1-NH2 3.26Å |
| 117 | E | 74.9 | Confident | 70.5 | Confident | 103 Ų | 103 | 117.5 Ų | 117.5 | 48% | 0.481 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -70.6 | -39.1 | 176.9 | -165.1 | -173.3 | 159.2 | 0 | 0 | 111.4 | N114 R120 K121 | N114-E117 PolarHBondContact O-N 3.21Å; E117-R120 PolarHBondContact O-N 2.89Å; E117-K121 HydrophobicContact CG-CD 4.44Å; E117-K121 PolarHBondContact O-N 2.95Å; E117-K121 IonicContact OE1-NZ 2.67Å; E117-K121 PolarHBondContact OE1-NZ 2.9Å |
| 118 | V | 75.7 | Confident | 71.5 | Confident | 86 Ų | 86 | 116.7 Ų | 116.7 | 52% | 0.521 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66.2 | -43.6 | 176 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | N114 V115 R120 K121 S122 | N114-V118 WeakPolarHBondContact O-CG2 3.33Å; N114-V118 PolarHBondContact O-N 3.3Å; N114-V118 VanDerWaalsContact O-N 3.12Å; V115-V118 PolarHBondContact O-N 3.39Å; V118-R120 VanDerWaalsContact C-N 3.34Å; V118-R120 PolarHBondContact O-N 3.43Å; V118-K121 PolarHBondContact O-N 2.75Å; V118-S122 WeakPolarHBondContact O-CB 3.3Å; V118-S122 PolarHBondContact O-N 2.74Å |
| 119 | A | 70.3 | Confident | 72.6 | Confident | 65 Ų | 65 | 116.6 Ų | 116.6 | 54% | 0.537 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61.8 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V115 K121 S122 | V115-A119 VanDerWaalsContact O-CB 3.27Å; V115-A119 WeakPolarHBondContact O-CB 3.49Å; V115-A119 PolarHBondContact O-N 3.08Å; A119-K121 VanDerWaalsContact C-N 3.32Å; A119-K121 PolarHBondContact O-N 3.35Å; A119-S122 WeakPolarHBondContact O-CB 3.25Å; A119-S122 PolarHBondContact O-N 3.15Å |
| 120 | R | 75.7 | Confident | 73.6 | Confident | 190 Ų | 190 | 120 Ų | 120 | 72% | 0.717 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.8 | -25.3 | 178.5 | -70.9 | 170.2 | -168.6 | -165.4 | 7 | 113.9 | E116 E117 V118 | E116-R120 WeakPolarHBondContact O-CB 3.47Å; E116-R120 WeakPolarHBondContact O-CD 3.49Å; E116-R120 WeakPolarHBondContact O-CG 3.33Å; E116-R120 PolarHBondContact O-N 3.23Å; E116-R120 VanDerWaalsContact O-N 3.1Å; E116-R120 IonicContact OE1-CZ 3.81Å; E116-R120 IonicContact OE1-NH2 3.72Å; E116-R120 PolarHBondContact OE1-NH2 3.26Å; E117-R120 PolarHBondContact O-N 2.89Å; V118-R120 VanDerWaalsContact C-N 3.34Å; V118-R120 PolarHBondContact O-N 3.43Å |
| 121 | K | 81.4 | Confident | 74.7 | Confident | 153 Ų | 153 | 121 Ų | 121 | 67% | 0.665 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -93.6 | -7.5 | 175.9 | -72 | 173.6 | 170.6 | 170 | 0 | 113 | E117 V118 A119 | E117-K121 HydrophobicContact CG-CD 4.44Å; E117-K121 PolarHBondContact O-N 2.95Å; E117-K121 IonicContact OE1-NZ 2.67Å; E117-K121 PolarHBondContact OE1-NZ 2.9Å; V118-K121 PolarHBondContact O-N 2.75Å; A119-K121 VanDerWaalsContact C-N 3.32Å; A119-K121 PolarHBondContact O-N 3.35Å |
| 122 | S | 78.9 | Confident | 75.8 | Confident | 54 Ų | 54 | 117.3 Ų | 117.3 | 38% | 0.378 | 61% | 0.61 | S | S | . | * | trans | -71.3 | 133.6 | -178.9 | -171.5 | 0 | 0 | 0 | 0 | 110.8 | V118 A119 L124 | V118-S122 WeakPolarHBondContact O-CB 3.3Å; V118-S122 PolarHBondContact O-N 2.74Å; A119-S122 WeakPolarHBondContact O-CB 3.25Å; A119-S122 PolarHBondContact O-N 3.15Å; S122-L124 WeakPolarHBondContact OG-CB 3.35Å; S122-L124 WeakPolarHBondContact OG-CG 3.48Å; S122-L124 PolarHBondContact OG-N 3.04Å | ||
| 123 | I | 83.9 | Confident | 76.6 | Confident | 172 Ų | 172 | 115.1 Ų | 115.1 | 88% | 0.882 | 61% | 0.609 | S | S | * | * | trans | -85.9 | 4.3 | 171.5 | 57.8 | 168 | 0 | 0 | 0 | 112.3 | ||||
| 124 | L | 81.6 | Confident | 77.6 | Confident | 133 Ų | 133 | 114.9 Ų | 114.9 | 70% | 0.696 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -78 | 147.4 | 179.2 | -57.5 | 177.4 | 0 | 0 | 0 | 110.5 | S122 P126 | S122-L124 WeakPolarHBondContact OG-CB 3.35Å; S122-L124 WeakPolarHBondContact OG-CG 3.48Å; S122-L124 PolarHBondContact OG-N 3.04Å; L124-P126 VanDerWaalsContact O-CD 3.3Å; L124-P126 WeakPolarHBondContact O-CD 3.37Å |
| 125 | N | 79.1 | Confident | 78 | Confident | 105 Ų | 105 | 115.5 Ų | 115.5 | 56% | 0.561 | 62% | 0.622 | S | S | * | * | trans | -64.1 | 115.7 | 175.4 | 177.2 | 15.6 | 0 | 0 | 0 | 110 | E127 A128 | N125-E127 PolarHBondContact O-N 3.33Å; N125-E127 WeakPolarHBondContact OD1-CB 3.34Å; N125-E127 PolarHBondContact OD1-N 3.17Å; N125-A128 HydrophobicContact CB-CB 4.33Å; N125-A128 VanDerWaalsContact O-CB 3.24Å; N125-A128 WeakPolarHBondContact O-CB 3.43Å; N125-A128 PolarHBondContact O-N 3.05Å; N125-A128 VanDerWaalsContact O-N 3.08Å | ||
| 126 | P | 80.8 | Confident | 78.3 | Confident | 117 Ų | 117 | 120.6 Ų | 120.6 | 76% | 0.76 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -21.5 | -179.8 | 27.4 | -34.7 | 0 | 0 | 0 | 112.8 | L124 A128 | L124-P126 VanDerWaalsContact O-CD 3.3Å; L124-P126 WeakPolarHBondContact O-CD 3.37Å; P126-A128 VanDerWaalsContact C-N 3.29Å |
| 127 | E | 80.9 | Confident | 78.1 | Confident | 163 Ų | 163 | 122.4 Ų | 122.4 | 76% | 0.762 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 4 | 178.2 | -53.4 | -59.2 | 132 | 0 | 0 | 112.6 | N125 K129 | N125-E127 PolarHBondContact O-N 3.33Å; N125-E127 WeakPolarHBondContact OD1-CB 3.34Å; N125-E127 PolarHBondContact OD1-N 3.17Å; E127-K129 PolarHBondContact O-N 3.2Å |
| 128 | A | 83.6 | Confident | 78.3 | Confident | 62 Ų | 62 | 123.4 Ų | 123.4 | 51% | 0.512 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -64.2 | 134.7 | 176 | 0 | 0 | 0 | 0 | 0 | 109.9 | N125 P126 E130 | N125-A128 HydrophobicContact CB-CB 4.33Å; N125-A128 VanDerWaalsContact O-CB 3.24Å; N125-A128 WeakPolarHBondContact O-CB 3.43Å; N125-A128 PolarHBondContact O-N 3.05Å; N125-A128 VanDerWaalsContact O-N 3.08Å; P126-A128 VanDerWaalsContact C-N 3.29Å; A128-E130 PolarHBondContact O-N 3.29Å; A128-E130 VanDerWaalsContact O-N 3.16Å |
| 129 | K | 80.2 | Confident | 78.4 | Confident | 143 Ų | 143 | 125.3 Ų | 125.3 | 62% | 0.622 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 121.6 | 177.4 | -158.6 | 174.6 | -162.2 | 179.2 | 0 | 108.8 | E127 F131 Y137 | E127-K129 PolarHBondContact O-N 3.2Å; K129-F131 PolarHBondContact O-N 3.17Å; K129-Y137 HydrophobicContact CD-CD1 3.72Å; K129-Y137 HydrophobicContact CD-CD2 4.06Å; K129-Y137 HydrophobicContact CD-CE1 3.93Å; K129-Y137 HydrophobicContact CD-CE2 4.29Å; K129-Y137 HydrophobicContact CD-CG 3.74Å; K129-Y137 HydrophobicContact CG-CE1 4.37Å; K129-Y137 HydrophobicContact CG-CE2 4.43Å |
| 130 | E | 78.3 | Confident | 78.9 | Confident | 153 Ų | 153 | 128.7 Ų | 128.7 | 72% | 0.715 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -57 | 133.2 | 176 | -175.7 | 177.3 | -177.8 | 0 | 0 | 109.4 | A128 V132 Y137 | A128-E130 PolarHBondContact O-N 3.29Å; A128-E130 VanDerWaalsContact O-N 3.16Å; E130-V132 PolarHBondContact O-N 2.95Å; E130-Y137 WeakPolarHBondContact O-CE2 3.39Å; E130-Y137 PolarHBondContact O-OH 3.37Å; E130-Y137 VanDerWaalsContact O-OH 3.06Å |
| 131 | F | 80.7 | Confident | 79.1 | Confident | 158 Ų | 158 | 125.1 Ų | 125.1 | 69% | 0.693 | 66% | 0.657 | S | S | * | * | trans | -76.7 | 108 | 173.4 | 177.1 | -103.9 | 0 | 0 | 0 | 109.1 | K129 P133 | K129-F131 PolarHBondContact O-N 3.17Å; F131-P133 HydrophobicContact CD1-CG 4.13Å; F131-P133 HydrophobicContact CE1-CB 4.07Å; F131-P133 HydrophobicContact CE1-CG 3.7Å; F131-P133 HydrophobicContact CZ-CB 4.45Å; F131-P133 WeakPolarHBondContact O-CD 3.47Å | ||
| 132 | V | 81.3 | Confident | 78.9 | Confident | 59 Ų | 59 | 123.3 Ų | 123.3 | 36% | 0.358 | 66% | 0.656 | S | S | . | * | trans | -99 | 110.5 | 170 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | E130 G134 M135 Y137 | E130-V132 PolarHBondContact O-N 2.95Å; V132-G134 PolarHBondContact O-N 3.39Å; V132-M135 HydrophobicContact CB-CB 4.24Å; V132-M135 HydrophobicContact CB-CG 3.93Å; V132-M135 HydrophobicContact CG1-CG 3.78Å; V132-M135 WeakPolarHBondContact O-CB 3.22Å; V132-M135 PolarHBondContact O-N 3.41Å; V132-M135 VanDerWaalsContact O-N 3.09Å; V132-Y137 WeakPolarHBondContact CB-OH 3.38Å; V132-Y137 VanDerWaalsContact CG2-OH 3.31Å; V132-Y137 WeakPolarHBondContact CG2-OH 3.44Å | ||
| 133 | P | 76.8 | Confident | 78.9 | Confident | 103 Ų | 103 | 127.9 Ų | 127.9 | 67% | 0.669 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | 130.5 | 179.5 | -22.1 | 29.8 | 0 | 0 | 0 | 111.5 | F131 | F131-P133 HydrophobicContact CD1-CG 4.13Å; F131-P133 HydrophobicContact CE1-CB 4.07Å; F131-P133 HydrophobicContact CE1-CG 3.7Å; F131-P133 HydrophobicContact CZ-CB 4.45Å; F131-P133 WeakPolarHBondContact O-CD 3.47Å |
| 134 | G | 80.2 | Confident | 78.6 | Confident | 83 Ų | 83 | 124.8 Ų | 124.8 | 86% | 0.856 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.6 | -11.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | V132 | V132-G134 PolarHBondContact O-N 3.39Š|
| 135 | M | 73.1 | Confident | 78.3 | Confident | 110 Ų | 110 | 124.2 Ų | 124.2 | 54% | 0.542 | 66% | 0.657 | S | S | . | * | trans | -88.1 | 120.5 | 169.9 | -67.7 | -85.5 | -75.1 | 0 | 0 | 109.2 | V132 Y137 | V132-M135 HydrophobicContact CB-CB 4.24Å; V132-M135 HydrophobicContact CB-CG 3.93Å; V132-M135 HydrophobicContact CG1-CG 3.78Å; V132-M135 WeakPolarHBondContact O-CB 3.22Å; V132-M135 PolarHBondContact O-N 3.41Å; V132-M135 VanDerWaalsContact O-N 3.09Å; M135-Y137 HydrophobicContact CB-CE1 4.11Å; M135-Y137 HydrophobicContact CB-CE2 4.32Å; M135-Y137 HydrophobicContact CE-CE1 4.11Å | ||
| 136 | K | 75.3 | Confident | 78.3 | Confident | 209 Ų | 209 | 125.8 Ų | 125.8 | 91% | 0.909 | 67% | 0.665 | S | S | * | * | trans | -88.9 | 120.3 | 167.7 | -60.3 | -155.2 | 179.8 | -172.7 | 0 | 107.9 | ||||
| 137 | Y | 67.9 | Low | 78 | Confident | 149 Ų | 149 | 126.5 Ų | 126.5 | 58% | 0.584 | 66% | 0.656 | S | S | * | * | trans | -95 | 0 | -178.1 | -67.6 | -56.1 | 0 | 0 | 0 | 113 | K129 E130 V132 M135 | K129-Y137 HydrophobicContact CD-CD1 3.72Å; K129-Y137 HydrophobicContact CD-CD2 4.06Å; K129-Y137 HydrophobicContact CD-CE1 3.93Å; K129-Y137 HydrophobicContact CD-CE2 4.29Å; K129-Y137 HydrophobicContact CD-CG 3.74Å; K129-Y137 HydrophobicContact CG-CE1 4.37Å; K129-Y137 HydrophobicContact CG-CE2 4.43Å; E130-Y137 WeakPolarHBondContact O-CE2 3.39Å; E130-Y137 PolarHBondContact O-OH 3.37Å; E130-Y137 VanDerWaalsContact O-OH 3.06Å; V132-Y137 WeakPolarHBondContact CB-OH 3.38Å; V132-Y137 VanDerWaalsContact CG2-OH 3.31Å; V132-Y137 WeakPolarHBondContact CG2-OH 3.44Å; M135-Y137 HydrophobicContact CB-CE1 4.11Å; M135-Y137 HydrophobicContact CB-CE2 4.32Å; M135-Y137 HydrophobicContact CE-CE1 4.11Å |
Retrieved 137 of 137 residues in 119 ms
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