| 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 | 40 | Very low | 41 | Very low | 235 Ų | 235 | 143.4 Ų | 143.4 | 100% | 1.158 | 84% | 0.838 | S | S | * | * | 0 | 161.4 | 0 | -70.1 | 166.2 | 71.2 | 0 | 0 | 108.3 | |||||
| 2 | S | 39 | Very low | 40.7 | Very low | 115 Ų | 115 | 148.5 Ų | 148.5 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | trans | 55.8 | 119.3 | 170.3 | 47.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 3 | H | 36.9 | Very low | 40.6 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 78% | 0.782 | 84% | 0.838 | S | S | * | * | trans | -57.4 | 170.9 | 159.1 | -47.7 | -93.5 | 0 | 0 | 0 | 111.4 | ||||
| 4 | H | 40.5 | Very low | 40.8 | Very low | 177 Ų | 177 | 142.4 Ų | 142.4 | 82% | 0.819 | 83% | 0.828 | S | S | * | * | cis | -149.3 | 172.4 | 30.5 | -103.4 | -76.4 | 0 | 0 | 0 | 112.9 | ||||
| 5 | P | 54.1 | Low | 40.4 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 66% | 0.662 | 82% | 0.824 | S | S | * | * | trans | -106.4 | 172.9 | -171.8 | 41.7 | -35.4 | 0 | 0 | 0 | 115.6 | ||||
| 6 | S | 45.9 | Very low | 40.4 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | 39.5 | 96.3 | 146.7 | -56 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 7 | G | 34.5 | Very low | 40.1 | Very low | 85 Ų | 85 | 141.7 Ų | 141.7 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | trans | -91.8 | 108.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 8 | L | 42.5 | Very low | 40.1 | Very low | 179 Ų | 179 | 146.2 Ų | 146.2 | 94% | 0.937 | 81% | 0.813 | S | S | * | * | trans | -66.7 | 141.2 | 171.1 | -70 | 157.9 | 0 | 0 | 0 | 110.8 | ||||
| 9 | R | 38.5 | Very low | 40.1 | Very low | 241 Ų | 241 | 148.8 Ų | 148.8 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -121.6 | 113.8 | 154.9 | -157.4 | 174.4 | -167 | -159.8 | 1.5 | 109.6 | ||||
| 10 | A | 41.4 | Very low | 40.1 | Very low | 83 Ų | 83 | 147.5 Ų | 147.5 | 69% | 0.686 | 81% | 0.807 | S | S | * | * | trans | -66.9 | 149.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 11 | G | 38 | Very low | 40.4 | Very low | 74 Ų | 74 | 149.5 Ų | 149.5 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | -69.6 | 146.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 12 | F | 37 | Very low | 40.4 | Very low | 205 Ų | 205 | 141.3 Ų | 141.3 | 90% | 0.899 | 78% | 0.783 | S | S | * | * | trans | -97.3 | 114 | 165.5 | -84.8 | -88 | 0 | 0 | 0 | 109.2 | ||||
| 13 | S | 39.7 | Very low | 41 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -63.7 | 153.4 | 174.8 | -62.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 14 | S | 43.2 | Very low | 41.9 | Very low | 100 Ų | 100 | 139.2 Ų | 139.2 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | -47.6 | 140.4 | 168.6 | 176.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 15 | T | 34.5 | Very low | 42.4 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | trans | -140.7 | 80.1 | 156.9 | -65 | 0 | 0 | 0 | 0 | 108.2 | Y17 | T15-Y17 PolarHBondContact O-N 2.84Š| ||
| 16 | S | 40 | Very low | 41.7 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -75.2 | 87.9 | 177.3 | 56.6 | 0 | 0 | 0 | 0 | 111.1 | R18 | S16-R18 VanDerWaalsContact C-N 3.29Å; S16-R18 PolarHBondContact O-N 2.73Å | ||
| 17 | Y | 36.8 | Very low | 41.5 | Very low | 192 Ų | 192 | 139.6 Ų | 139.6 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -77 | 76.5 | 178.4 | -150.6 | -80.8 | 0 | 0 | 0 | 111.7 | T15 R19 | T15-Y17 PolarHBondContact O-N 2.84Å; Y17-R19 HydrophobicContact CD1-CG 4.08Å; Y17-R19 HydrophobicContact CE1-CG 3.99Å; Y17-R19 PolarHBondContact O-N 3.19Å | ||
| 18 | R | 39.3 | Very low | 41.6 | Very low | 222 Ų | 222 | 140.9 Ų | 140.9 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -62.3 | 100.3 | 169.7 | -90.9 | -170.3 | 173.8 | -119.8 | 3.5 | 109.8 | S16 T20 | S16-R18 VanDerWaalsContact C-N 3.29Å; S16-R18 PolarHBondContact O-N 2.73Å; R18-T20 PolarHBondContact O-N 3.02Å | ||
| 19 | R | 40.1 | Very low | 41.6 | Very low | 197 Ų | 197 | 138.8 Ų | 138.8 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | -78.6 | 108 | 157.5 | -88 | -172.9 | 169.7 | -129.7 | -3.3 | 109 | Y17 F21 | Y17-R19 HydrophobicContact CD1-CG 4.08Å; Y17-R19 HydrophobicContact CE1-CG 3.99Å; Y17-R19 PolarHBondContact O-N 3.19Å; R19-F21 PolarHBondContact O-N 3.48Å | ||
| 20 | T | 40.5 | Very low | 41.4 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -77.3 | 103.9 | 173.6 | 48.2 | 0 | 0 | 0 | 0 | 110.3 | R18 | R18-T20 PolarHBondContact O-N 3.02Š| ||
| 21 | F | 45.4 | Very low | 41 | Very low | 190 Ų | 190 | 130.7 Ų | 130.7 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 117.5 | 152.7 | -76.7 | -79.3 | 0 | 0 | 0 | 107.7 | R19 | R19-F21 PolarHBondContact O-N 3.48Š|
| 22 | G | 40.6 | Very low | 40.8 | Very low | 62 Ų | 62 | 136.2 Ų | 136.2 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 159.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 23 | P | 50.7 | Low | 40.4 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 146.4 | 175.6 | 30.1 | -34.9 | 0 | 0 | 0 | 111.1 | ||
| 24 | P | 56.9 | Low | 40.2 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 152.4 | 164.7 | 30.2 | -34.1 | 0 | 0 | 0 | 110.3 | ||
| 25 | P | 50.5 | Low | 39.6 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 141.7 | -174.7 | 29 | -35.2 | 0 | 0 | 0 | 112.4 | ||
| 26 | S | 39.4 | Very low | 39.5 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 131.3 | 170.8 | 52.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 27 | L | 41.7 | Very low | 39.2 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -111.8 | 127 | 162.8 | -71.3 | 174.2 | 0 | 0 | 0 | 109 | ||||
| 28 | S | 37.1 | Very low | 39.1 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -75.4 | 142.2 | -173.6 | -51.8 | 0 | 0 | 0 | 0 | 112.4 | G30 | S28-G30 PolarHBondContact O-N 2.81Š| ||
| 29 | P | 41.8 | Very low | 38.8 | Very low | 134 Ų | 134 | 129.5 Ų | 129.5 | 87% | 0.87 | 77% | 0.765 | S | S | * | * | trans | -77.2 | 103.4 | 175.2 | 30.5 | -33.2 | 0 | 0 | 0 | 111.5 | ||||
| 30 | G | 34.6 | Very low | 38.5 | Very low | 73 Ų | 73 | 126.4 Ų | 126.4 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | trans | -104.1 | 102.7 | 159 | 0 | 0 | 0 | 0 | 0 | 108.8 | S28 | S28-G30 PolarHBondContact O-N 2.81Š| ||
| 31 | A | 33.9 | Very low | 38 | Very low | 81 Ų | 81 | 123.7 Ų | 123.7 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | 92.1 | 92.9 | 76.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 32 | F | 33.9 | Very low | 37.5 | Very low | 190 Ų | 190 | 118.4 Ų | 118.4 | 83% | 0.833 | 73% | 0.73 | S | S | * | * | trans | 37 | 121.3 | 149.4 | -47 | -77.8 | 0 | 0 | 0 | 120.5 | ||||
| 33 | S | 28.5 | Very low | 37.2 | Very low | 125 Ų | 125 | 120 Ų | 120 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | -151.6 | 145.9 | 116.7 | -83 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 34 | Y | 35.1 | Very low | 36.3 | Very low | 191 Ų | 191 | 124.7 Ų | 124.7 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | trans | -115.8 | 149.7 | -174.9 | 47.9 | -91.8 | 0 | 0 | 0 | 109.8 | ||||
| 35 | S | 30.8 | Very low | 35.2 | Very low | 107 Ų | 107 | 125.8 Ų | 125.8 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | trans | 159.5 | 117.4 | 157.8 | -75.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 36 | S | 32.5 | Very low | 34.6 | Very low | 90 Ų | 90 | 127.9 Ų | 127.9 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | cis | 68.7 | 76.6 | 24.7 | -40.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 37 | S | 32.2 | Very low | 34.1 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | -177.4 | 149 | 110.7 | 58.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 38 | S | 34.8 | Very low | 33.9 | Very low | 81 Ų | 81 | 123.5 Ų | 123.5 | 57% | 0.566 | 73% | 0.729 | S | S | * | * | trans | -70.5 | 157.8 | 175.3 | 47 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 39 | R | 34.8 | Very low | 33.9 | Very low | 198 Ų | 198 | 121.8 Ų | 121.8 | 75% | 0.747 | 72% | 0.723 | S | S | * | * | 174.3 | 140.3 | 102 | -93.8 | -178.2 | 179.2 | 139.1 | 8.6 | 115.9 | E371 | R39-E371 IonicContact CZ-OE1 3.68Å; R39-E371 IonicContact NE-OE1 3.94Å; R39-E371 PolarHBondContact NE-OE1 3.11Å; R39-E371 IonicContact NH2-OE1 2.69Å; R39-E371 PolarHBondContact NH2-OE1 2.89Å | |||
| 40 | F | 32 | Very low | 33.6 | Very low | 132 Ų | 132 | 120.7 Ų | 120.7 | 58% | 0.579 | 72% | 0.718 | S | S | * | * | trans | 53.9 | 132.3 | 133.5 | -161.1 | -128.5 | 0 | 0 | 0 | 123.4 | H375 | F40-H375 AromaticContact CD2-CE1 3.37Å; F40-H375 WeakPolarHBondContact CD2-CE1 3.36Å; F40-H375 AromaticContact CD2-NE2 3.3Å; F40-H375 VanDerWaalsContact CD2-NE2 3.3Å; F40-H375 WeakPolarHBondContact CD2-NE2 3.5Å; F40-H375 AromaticContact CE2-CD2 3.78Å; F40-H375 AromaticContact CE2-CE1 3.08Å; F40-H375 WeakPolarHBondContact CE2-CE1 3.34Å; F40-H375 AromaticContact CE2-CG 3.78Å; F40-H375 AromaticContact CE2-ND1 3.34Å; F40-H375 VanDerWaalsContact CE2-ND1 3.34Å; F40-H375 WeakPolarHBondContact CE2-ND1 3.2Å; F40-H375 AromaticContact CE2-NE2 3.35Å; F40-H375 WeakPolarHBondContact CE2-NE2 3.5Å; F40-H375 AromaticContact CZ-CE1 3.67Å; F40-H375 AromaticContact CZ-ND1 3.77Å | ||
| 41 | S | 31.5 | Very low | 34.4 | Very low | 66 Ų | 66 | 123 Ų | 123 | 46% | 0.462 | 72% | 0.72 | S | S | . | * | trans | 72.6 | 111.7 | 148.4 | -100.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 42 | S | 34.2 | Very low | 34.5 | Very low | 79 Ų | 79 | 123.9 Ų | 123.9 | 55% | 0.552 | 72% | 0.721 | S | S | * | * | 54 | 105.8 | 102.2 | -47.2 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 43 | S | 33.5 | Very low | 34.6 | Very low | 94 Ų | 94 | 119.9 Ų | 119.9 | 66% | 0.657 | 72% | 0.716 | S | S | * | * | trans | 86.8 | 146.2 | 134.5 | 86.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 44 | R | 31.8 | Very low | 35 | Very low | 223 Ų | 223 | 119.9 Ų | 119.9 | 84% | 0.842 | 72% | 0.716 | S | S | * | * | trans | 73.3 | 145.4 | 165.1 | -58.6 | 176.6 | -151.4 | -131.5 | 3.3 | 113.7 | ||||
| 45 | L | 35.7 | Very low | 35.2 | Very low | 141 Ų | 141 | 117.3 Ų | 117.3 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | cis | -163.2 | 172.4 | 1.1 | -124.5 | 173.4 | 0 | 0 | 0 | 111.6 | ||||
| 46 | L | 36 | Very low | 35.5 | Very low | 166 Ų | 166 | 124 Ų | 124 | 87% | 0.869 | 73% | 0.729 | S | S | * | * | trans | 87.6 | 152.3 | 154.5 | -70.3 | 158.6 | 0 | 0 | 0 | 121.5 | ||||
| 47 | G | 30.6 | Very low | 35.7 | Very low | 69 Ų | 69 | 128.2 Ų | 128.2 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | trans | 119.6 | 68.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 48 | S | 37.1 | Very low | 35.8 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | 62.1 | 121.4 | 72.3 | -166.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 49 | A | 36.2 | Very low | 35.9 | Very low | 78 Ų | 78 | 126.8 Ų | 126.8 | 65% | 0.645 | 74% | 0.744 | S | S | * | * | cis | -151.2 | 148.6 | -0.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 50 | S | 36.7 | Very low | 35.9 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | 60.5 | 152 | 68.6 | -41 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 51 | P | 49.8 | Very low | 36 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | cis | -86.6 | -131.2 | -11.9 | 12.4 | 9.4 | 0 | 0 | 0 | 109.7 | ||||
| 52 | S | 37.6 | Very low | 36.2 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | cis | -162.9 | 166 | -2.9 | -27.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 53 | S | 35.6 | Very low | 36.6 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | cis | -171.7 | 110.2 | -38.1 | 52.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 54 | S | 36.8 | Very low | 36.6 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -86.6 | 129.8 | 174 | 47.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 55 | V | 39.8 | Very low | 36.8 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -104.4 | 125.5 | 178.1 | -72.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 56 | R | 37.1 | Very low | 36.6 | Very low | 248 Ų | 248 | 134.3 Ų | 134.3 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | trans | -125.2 | 140.4 | 158.8 | -71.4 | -172.4 | 175.7 | -155.1 | -0 | 107 | ||||
| 57 | L | 36.9 | Very low | 36.5 | Very low | 177 Ų | 177 | 131.7 Ų | 131.7 | 93% | 0.927 | 81% | 0.809 | S | S | * | * | trans | -141.4 | 140.5 | -178.4 | -166.3 | 73.4 | 0 | 0 | 0 | 111.9 | ||||
| 58 | G | 33 | Very low | 36.7 | Very low | 65 Ų | 65 | 132.5 Ų | 132.5 | 67% | 0.67 | 82% | 0.817 | S | S | * | * | trans | 71.8 | 102.7 | 137.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 59 | S | 38.1 | Very low | 36.7 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | trans | -95.1 | 140.9 | 155.6 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 60 | F | 34.7 | Very low | 36.8 | Very low | 211 Ų | 211 | 135.9 Ų | 135.9 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | trans | -141.1 | 157.3 | 159.6 | -78.9 | -67.8 | 0 | 0 | 0 | 110.9 | ||||
| 61 | R | 33.4 | Very low | 36.8 | Very low | 218 Ų | 218 | 138.4 Ų | 138.4 | 82% | 0.823 | 83% | 0.833 | S | S | * | * | trans | -111.7 | 143.8 | -169.6 | -96.4 | -178.1 | 168 | -165.1 | -0.8 | 111.9 | ||||
| 62 | S | 35.3 | Very low | 36.1 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 78% | 0.776 | 83% | 0.834 | S | S | * | * | trans | 41 | 142.7 | 132.1 | -67.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 63 | P | 42.9 | Very low | 36.4 | Very low | 136 Ų | 136 | 145.7 Ų | 145.7 | 88% | 0.883 | 84% | 0.84 | S | S | * | * | -146.8 | -166.3 | 68.7 | 41.6 | -21.9 | 0 | 0 | 0 | 117 | |||||
| 64 | R | 34.6 | Very low | 36.7 | Very low | 242 Ų | 242 | 146.3 Ų | 146.3 | 91% | 0.913 | 84% | 0.841 | S | S | * | * | trans | -115.2 | 136 | -161.6 | 158.6 | -171.1 | 175.3 | -177.9 | 0.2 | 111.4 | ||||
| 65 | A | 34.9 | Very low | 36.9 | Very low | 104 Ų | 104 | 145.8 Ų | 145.8 | 86% | 0.86 | 84% | 0.837 | S | S | * | * | trans | -151.3 | 157.8 | 161 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 66 | G | 32.5 | Very low | 36.7 | Very low | 70 Ų | 70 | 148 Ų | 148 | 72% | 0.722 | 84% | 0.839 | S | S | * | * | cis | 151.8 | 99.8 | -8.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 67 | A | 33.1 | Very low | 36.8 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 92% | 0.917 | 84% | 0.837 | S | S | * | * | trans | 63.7 | 128.6 | 170 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 68 | G | 35.3 | Very low | 37.4 | Very low | 85 Ų | 85 | 145.4 Ų | 145.4 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | trans | -79.6 | 176.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 69 | A | 36.3 | Very low | 38.4 | Very low | 102 Ų | 102 | 149.1 Ų | 149.1 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | trans | -129.7 | 133.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 70 | L | 38.9 | Very low | 39.1 | Very low | 167 Ų | 167 | 150.6 Ų | 150.6 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -86.7 | 180 | 163.6 | -70.7 | 170.2 | 0 | 0 | 0 | 109.5 | ||||
| 71 | L | 35.8 | Very low | 40.3 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | 89.6 | 143.4 | -176.8 | -54.1 | 167.7 | 0 | 0 | 0 | 113.5 | ||||
| 72 | R | 34.8 | Very low | 41.4 | Very low | 216 Ų | 216 | 141.8 Ų | 141.8 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | cis | -171.1 | 133.4 | -15.9 | 163.4 | 171.3 | 173.9 | 166.5 | -1.8 | 107 | ||||
| 73 | L | 44.2 | Very low | 42.5 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -59.3 | 143.6 | 173.3 | -77.8 | 153.8 | 0 | 0 | 0 | 111.3 | ||||
| 74 | P | 42.6 | Very low | 43.5 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | -109.4 | 162.1 | 111.2 | 32.4 | -34.8 | 0 | 0 | 0 | 112.1 | |||||
| 75 | S | 39.7 | Very low | 45 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | trans | -83 | 128.4 | 176.2 | 160.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 76 | E | 36.3 | Very low | 46.5 | Very low | 186 Ų | 186 | 128.8 Ų | 128.8 | 87% | 0.869 | 74% | 0.737 | S | S | * | * | trans | -151.6 | 176.8 | 146.9 | -121.3 | 160.1 | -149.8 | 0 | 0 | 111.4 | ||||
| 77 | R | 40.4 | Very low | 48.4 | Very low | 238 Ų | 238 | 129.4 Ų | 129.4 | 90% | 0.898 | 72% | 0.724 | S | S | * | * | trans | -64.5 | 151.9 | -151.7 | -69.1 | 173.3 | 172.8 | 159 | -2.7 | 115.9 | ||||
| 78 | L | 48.6 | Very low | 50.3 | Low | 131 Ų | 131 | 129.8 Ų | 129.8 | 69% | 0.686 | 71% | 0.707 | S | S | * | * | trans | -90.6 | 104.9 | -178.7 | -69.7 | 158.3 | 0 | 0 | 0 | 112.2 | F80 | L78-F80 HydrophobicContact CB-CD2 3.98Å; L78-F80 HydrophobicContact CB-CE2 3.62Å; L78-F80 HydrophobicContact CB-CZ 4.18Å; L78-F80 HydrophobicContact CD1-CE2 3.84Å; L78-F80 HydrophobicContact CD1-CZ 3.92Å; L78-F80 HydrophobicContact CD2-CE2 4.36Å; L78-F80 HydrophobicContact CD2-CZ 4.06Å; L78-F80 HydrophobicContact CG-CE2 4.15Å; L78-F80 HydrophobicContact CG-CZ 4.29Å; L78-F80 PolarHBondContact O-N 3.32Å | ||
| 79 | D | 54 | Low | 52.1 | Low | 144 Ų | 144 | 131.7 Ų | 131.7 | 77% | 0.77 | 69% | 0.693 | S | S | * | * | trans | -95.3 | 76.8 | 169 | -76.7 | -30.1 | 0 | 0 | 0 | 111.1 | S81 | D79-S81 PolarHBondContact O-N 2.83Å; D79-S81 VanDerWaalsContact O-N 3.09Å | ||
| 80 | F | 52 | Low | 54 | Low | 137 Ų | 137 | 132.7 Ų | 132.7 | 60% | 0.601 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -56.6 | -26.5 | -178.9 | -73.6 | -77.3 | 0 | 0 | 0 | 114.2 | L78 M82 A83 E84 | L78-F80 HydrophobicContact CB-CD2 3.98Å; L78-F80 HydrophobicContact CB-CE2 3.62Å; L78-F80 HydrophobicContact CB-CZ 4.18Å; L78-F80 HydrophobicContact CD1-CE2 3.84Å; L78-F80 HydrophobicContact CD1-CZ 3.92Å; L78-F80 HydrophobicContact CD2-CE2 4.36Å; L78-F80 HydrophobicContact CD2-CZ 4.06Å; L78-F80 HydrophobicContact CG-CE2 4.15Å; L78-F80 HydrophobicContact CG-CZ 4.29Å; L78-F80 PolarHBondContact O-N 3.32Å; F80-M82 PolarHBondContact O-N 3.27Å; F80-M82 VanDerWaalsContact O-N 3.1Å; F80-A83 PolarHBondContact O-N 2.81Å; F80-E84 PolarHBondContact O-N 3.28Å; F80-E84 VanDerWaalsContact O-N 3.09Å |
| 81 | S | 59.6 | Low | 55.9 | Low | 103 Ų | 103 | 129.4 Ų | 129.4 | 72% | 0.72 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -56.3 | -29.7 | -174.7 | -171.3 | 0 | 0 | 0 | 0 | 114.6 | D79 | D79-S81 PolarHBondContact O-N 2.83Å; D79-S81 VanDerWaalsContact O-N 3.09Å |
| 82 | M | 57.2 | Low | 57.8 | Low | 141 Ų | 141 | 123.8 Ų | 123.8 | 70% | 0.695 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -89.5 | -30.6 | -177.3 | -164.9 | 163.2 | -176.4 | 0 | 0 | 112.7 | F80 L86 | F80-M82 PolarHBondContact O-N 3.27Å; F80-M82 VanDerWaalsContact O-N 3.1Å; M82-L86 WeakPolarHBondContact O-CG 3.36Å; M82-L86 PolarHBondContact O-N 3.47Å |
| 83 | A | 59.7 | Low | 60 | Low | 64 Ų | 64 | 116.8 Ų | 116.8 | 53% | 0.529 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -72.1 | -37.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F80 N87 | F80-A83 PolarHBondContact O-N 2.81Å; A83-N87 WeakPolarHBondContact O-CB 3.22Å; A83-N87 PolarHBondContact O-N 3.47Å; A83-N87 VanDerWaalsContact O-N 3.07Å |
| 84 | E | 62.7 | Low | 61.8 | Low | 108 Ų | 108 | 116.6 Ų | 116.6 | 51% | 0.505 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -60.3 | -46 | 174.7 | -161.6 | 83.2 | -123.9 | 0 | 0 | 111 | F80 N87 Q88 | F80-E84 PolarHBondContact O-N 3.28Å; F80-E84 VanDerWaalsContact O-N 3.09Å; E84-N87 PolarHBondContact O-N 2.8Å; E84-Q88 WeakPolarHBondContact O-CG 3.26Å; E84-Q88 PolarHBondContact O-N 2.85Å |
| 85 | A | 66.6 | Low | 63.7 | Low | 47 Ų | 47 | 114 Ų | 114 | 39% | 0.388 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.8 | -49.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N87 Q88 E89 | A85-N87 VanDerWaalsContact C-N 3.27Å; A85-N87 PolarHBondContact O-N 3.26Å; A85-Q88 PolarHBondContact O-N 3.36Å; A85-Q88 VanDerWaalsContact O-N 3.12Å; A85-E89 PolarHBondContact O-N 3.42Å |
| 86 | L | 66.8 | Low | 65.9 | Low | 101 Ų | 101 | 112.9 Ų | 112.9 | 53% | 0.529 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.5 | -33.2 | 178.4 | -70.2 | 169 | 0 | 0 | 0 | 112.6 | M82 F90 | M82-L86 WeakPolarHBondContact O-CG 3.36Å; M82-L86 PolarHBondContact O-N 3.47Å; L86-F90 WeakPolarHBondContact O-CB 3.4Å; L86-F90 PolarHBondContact O-N 3.23Å |
| 87 | N | 72 | Confident | 68.2 | Low | 83 Ų | 83 | 109.4 Ų | 109.4 | 44% | 0.444 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -72.4 | -36.5 | 174.5 | -175.1 | 53.6 | 0 | 0 | 0 | 112.1 | A83 E84 A85 F90 L91 | A83-N87 WeakPolarHBondContact O-CB 3.22Å; A83-N87 PolarHBondContact O-N 3.47Å; A83-N87 VanDerWaalsContact O-N 3.07Å; E84-N87 PolarHBondContact O-N 2.8Å; A85-N87 VanDerWaalsContact C-N 3.27Å; A85-N87 PolarHBondContact O-N 3.26Å; N87-F90 PolarHBondContact O-N 2.84Å; N87-L91 WeakPolarHBondContact O-CB 3.35Å; N87-L91 VanDerWaalsContact O-CG 3.3Å; N87-L91 WeakPolarHBondContact O-CG 3.35Å; N87-L91 PolarHBondContact O-N 2.81Å |
| 88 | Q | 72.4 | Confident | 70.4 | Confident | 119 Ų | 119 | 105 Ų | 105 | 56% | 0.556 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.8 | -40.8 | 172.8 | -71.5 | 178.7 | 26.2 | 0 | 0 | 111.7 | E84 A85 L91 A92 | E84-Q88 WeakPolarHBondContact O-CG 3.26Å; E84-Q88 PolarHBondContact O-N 2.85Å; A85-Q88 PolarHBondContact O-N 3.36Å; A85-Q88 VanDerWaalsContact O-N 3.12Å; Q88-L91 PolarHBondContact O-N 2.65Å; Q88-A92 VanDerWaalsContact O-CB 3.32Å; Q88-A92 WeakPolarHBondContact O-CB 3.24Å; Q88-A92 PolarHBondContact O-N 3.5Å |
| 89 | E | 73.7 | Confident | 72.2 | Confident | 126 Ų | 126 | 104.2 Ų | 104.2 | 59% | 0.589 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.7 | -46.1 | 172 | -72.5 | -176 | 154.2 | 0 | 0 | 111.6 | A85 L91 A92 T93 | A85-E89 PolarHBondContact O-N 3.42Å; E89-L91 VanDerWaalsContact C-N 3.35Å; E89-L91 PolarHBondContact O-N 3Å; E89-A92 PolarHBondContact O-N 3.39Å; E89-A92 VanDerWaalsContact O-N 3.16Å; E89-T93 WeakPolarHBondContact O-CG2 3.17Å; E89-T93 PolarHBondContact O-N 3.03Å; E89-T93 PolarHBondContact O-OG1 2.86Å |
| 90 | F | 77 | Confident | 73.7 | Confident | 122 Ų | 122 | 103.7 Ų | 103.7 | 54% | 0.535 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.4 | -35.5 | 177.7 | -177.4 | -105.2 | 0 | 0 | 0 | 113.5 | L86 N87 T93 R94 | L86-F90 WeakPolarHBondContact O-CB 3.4Å; L86-F90 PolarHBondContact O-N 3.23Å; N87-F90 PolarHBondContact O-N 2.84Å; F90-T93 PolarHBondContact O-OG1 2.9Å; F90-T93 VanDerWaalsContact O-OG1 3.13Å; F90-R94 WeakPolarHBondContact O-CB 3.15Å; F90-R94 PolarHBondContact O-N 3.22Å; F90-R94 VanDerWaalsContact O-N 3.1Å |
| 91 | L | 77.8 | Confident | 75.3 | Confident | 98 Ų | 98 | 102.6 Ų | 102.6 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.8 | -37.4 | 172.9 | -72.9 | 170.5 | 0 | 0 | 0 | 111.6 | N87 Q88 E89 R94 S95 | N87-L91 WeakPolarHBondContact O-CB 3.35Å; N87-L91 VanDerWaalsContact O-CG 3.3Å; N87-L91 WeakPolarHBondContact O-CG 3.35Å; N87-L91 PolarHBondContact O-N 2.81Å; Q88-L91 PolarHBondContact O-N 2.65Å; E89-L91 VanDerWaalsContact C-N 3.35Å; E89-L91 PolarHBondContact O-N 3Å; L91-R94 PolarHBondContact O-N 3.39Å; L91-S95 PolarHBondContact O-N 3.22Å; L91-S95 PolarHBondContact O-OG 3.49Å |
| 92 | A | 76.9 | Confident | 76.6 | Confident | 45 Ų | 45 | 102.9 Ų | 102.9 | 37% | 0.372 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.6 | -44.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q88 E89 R94 S95 N96 | Q88-A92 VanDerWaalsContact O-CB 3.32Å; Q88-A92 WeakPolarHBondContact O-CB 3.24Å; Q88-A92 PolarHBondContact O-N 3.5Å; E89-A92 PolarHBondContact O-N 3.39Å; E89-A92 VanDerWaalsContact O-N 3.16Å; A92-R94 VanDerWaalsContact C-N 3.32Å; A92-R94 PolarHBondContact O-N 2.79Å; A92-S95 WeakPolarHBondContact CA-OG 3.38Å; A92-S95 PolarHBondContact O-N 2.87Å; A92-S95 PolarHBondContact O-OG 2.89Å; A92-N96 PolarHBondContact O-N 3.28Å; A92-N96 PolarHBondContact O-OD1 3.42Å |
| 93 | T | 79.7 | Confident | 78.2 | Confident | 70 Ų | 70 | 100 Ų | 100 | 43% | 0.429 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 173.9 | 56.4 | 0 | 0 | 0 | 0 | 110.5 | E89 F90 S95 N96 E97 | E89-T93 WeakPolarHBondContact O-CG2 3.17Å; E89-T93 PolarHBondContact O-N 3.03Å; E89-T93 PolarHBondContact O-OG1 2.86Å; F90-T93 PolarHBondContact O-OG1 2.9Å; F90-T93 VanDerWaalsContact O-OG1 3.13Å; T93-S95 PolarHBondContact O-N 2.99Å; T93-N96 PolarHBondContact O-N 2.82Å; T93-E97 WeakPolarHBondContact O-CG 3.35Å; T93-E97 PolarHBondContact O-N 3.15Å |
| 94 | R | 83.1 | Confident | 79.6 | Confident | 155 Ų | 155 | 101 Ų | 101 | 59% | 0.585 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.3 | -30.7 | 178 | -169.5 | 173.2 | -176.3 | 167.2 | 3 | 113.6 | F90 L91 A92 K98 | F90-R94 WeakPolarHBondContact O-CB 3.15Å; F90-R94 PolarHBondContact O-N 3.22Å; F90-R94 VanDerWaalsContact O-N 3.1Å; L91-R94 PolarHBondContact O-N 3.39Å; A92-R94 VanDerWaalsContact C-N 3.32Å; A92-R94 PolarHBondContact O-N 2.79Å; R94-K98 VanDerWaalsContact O-CB 3.32Å; R94-K98 WeakPolarHBondContact O-CB 3.34Å; R94-K98 PolarHBondContact O-N 3.02Å; R94-K98 VanDerWaalsContact O-N 3.09Å |
| 95 | S | 82.7 | Confident | 80.9 | Confident | 63 Ų | 63 | 100.9 Ų | 100.9 | 44% | 0.441 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.5 | -37.6 | 170.8 | 55 | 0 | 0 | 0 | 0 | 111.9 | L91 A92 T93 K98 Q99 | L91-S95 PolarHBondContact O-N 3.22Å; L91-S95 PolarHBondContact O-OG 3.49Å; A92-S95 WeakPolarHBondContact CA-OG 3.38Å; A92-S95 PolarHBondContact O-N 2.87Å; A92-S95 PolarHBondContact O-OG 2.89Å; T93-S95 PolarHBondContact O-N 2.99Å; S95-K98 PolarHBondContact O-N 3.36Å; S95-Q99 WeakPolarHBondContact O-CB 3.43Å; S95-Q99 PolarHBondContact O-N 2.87Å |
| 96 | N | 84.2 | Confident | 82.1 | Confident | 89 Ų | 89 | 102.4 Ų | 102.4 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.1 | -49.2 | 176.1 | -66.6 | -2.2 | 0 | 0 | 0 | 110.9 | A92 T93 K98 Q99 E100 | A92-N96 PolarHBondContact O-N 3.28Å; A92-N96 PolarHBondContact O-OD1 3.42Å; T93-N96 PolarHBondContact O-N 2.82Å; N96-K98 VanDerWaalsContact C-N 3.26Å; N96-K98 PolarHBondContact O-N 3.48Å; N96-Q99 CarbonylContact O-C 3.6Å; N96-Q99 WeakPolarHBondContact O-CA 3.31Å; N96-Q99 PolarHBondContact O-N 2.91Å; N96-E100 WeakPolarHBondContact O-CG 3.4Å; N96-E100 PolarHBondContact O-N 2.89Å |
| 97 | E | 85.6 | Confident | 83.3 | Confident | 113 Ų | 113 | 105.2 Ų | 105.2 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -53.3 | -42.7 | 172.7 | -74.5 | 175.5 | 174.1 | 0 | 0 | 111.8 | T93 L101 | T93-E97 WeakPolarHBondContact O-CG 3.35Å; T93-E97 PolarHBondContact O-N 3.15Å; E97-L101 VanDerWaalsContact O-CB 3.31Å; E97-L101 WeakPolarHBondContact O-CB 3.34Å; E97-L101 VanDerWaalsContact O-CG 3.24Å; E97-L101 WeakPolarHBondContact O-CG 3.48Å; E97-L101 PolarHBondContact O-N 3.35Å |
| 98 | K | 86.9 | Confident | 84.3 | Confident | 145 Ų | 145 | 107 Ų | 107 | 63% | 0.63 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.9 | -40.8 | 176.3 | -175.1 | -169.6 | 171 | -164.5 | 0 | 111.7 | R94 S95 N96 Q102 | R94-K98 VanDerWaalsContact O-CB 3.32Å; R94-K98 WeakPolarHBondContact O-CB 3.34Å; R94-K98 PolarHBondContact O-N 3.02Å; R94-K98 VanDerWaalsContact O-N 3.09Å; S95-K98 PolarHBondContact O-N 3.36Å; N96-K98 VanDerWaalsContact C-N 3.26Å; N96-K98 PolarHBondContact O-N 3.48Å; K98-Q102 WeakPolarHBondContact O-CB 3.26Å; K98-Q102 PolarHBondContact O-N 3.48Å |
| 99 | Q | 86 | Confident | 85.2 | Confident | 116 Ų | 116 | 103 Ų | 103 | 54% | 0.542 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.7 | -43.1 | 178 | -175.8 | 175.5 | -36 | 0 | 0 | 111.4 | S95 N96 L101 Q102 E103 | S95-Q99 WeakPolarHBondContact O-CB 3.43Å; S95-Q99 PolarHBondContact O-N 2.87Å; N96-Q99 CarbonylContact O-C 3.6Å; N96-Q99 WeakPolarHBondContact O-CA 3.31Å; N96-Q99 PolarHBondContact O-N 2.91Å; Q99-L101 PolarHBondContact O-N 3.22Å; Q99-Q102 WeakPolarHBondContact O-CB 3.3Å; Q99-Q102 PolarHBondContact O-N 3.49Å; Q99-Q102 VanDerWaalsContact O-N 3.11Å; Q99-E103 PolarHBondContact O-N 2.76Å |
| 100 | E | 85.2 | Confident | 86.1 | Confident | 132 Ų | 132 | 102.3 Ų | 102.3 | 62% | 0.617 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.8 | -44.1 | 173.7 | -71.8 | 175.6 | -165.7 | 0 | 0 | 111.5 | N96 Q102 E103 L104 | N96-E100 WeakPolarHBondContact O-CG 3.4Å; N96-E100 PolarHBondContact O-N 2.89Å; E100-Q102 VanDerWaalsContact C-N 3.31Å; E100-Q102 PolarHBondContact O-N 2.81Å; E100-E103 PolarHBondContact O-N 3.45Å; E100-L104 VanDerWaalsContact O-CB 3.27Å; E100-L104 WeakPolarHBondContact O-CB 3.44Å; E100-L104 PolarHBondContact O-N 3.29Å |
| 101 | L | 86.6 | Confident | 87 | Confident | 114 Ų | 114 | 103 Ų | 103 | 60% | 0.597 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.9 | -32.7 | 173.7 | -75.3 | 171.2 | 0 | 0 | 0 | 112.7 | E97 Q99 N105 | E97-L101 VanDerWaalsContact O-CB 3.31Å; E97-L101 WeakPolarHBondContact O-CB 3.34Å; E97-L101 VanDerWaalsContact O-CG 3.24Å; E97-L101 WeakPolarHBondContact O-CG 3.48Å; E97-L101 PolarHBondContact O-N 3.35Å; Q99-L101 PolarHBondContact O-N 3.22Å; L101-N105 WeakPolarHBondContact O-CB 3.48Å; L101-N105 PolarHBondContact O-N 2.89Å |
| 102 | Q | 86.8 | Confident | 87.7 | Confident | 109 Ų | 109 | 102.4 Ų | 102.4 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.2 | -48.4 | 175 | -174.7 | 171.4 | -24.3 | 0 | 0 | 111.1 | K98 Q99 E100 L104 N105 D106 | K98-Q102 WeakPolarHBondContact O-CB 3.26Å; K98-Q102 PolarHBondContact O-N 3.48Å; Q99-Q102 WeakPolarHBondContact O-CB 3.3Å; Q99-Q102 PolarHBondContact O-N 3.49Å; Q99-Q102 VanDerWaalsContact O-N 3.11Å; E100-Q102 VanDerWaalsContact C-N 3.31Å; E100-Q102 PolarHBondContact O-N 2.81Å; Q102-L104 PolarHBondContact O-N 2.85Å; Q102-N105 CarbonylContact O-C 3.58Å; Q102-N105 WeakPolarHBondContact O-CA 3.29Å; Q102-N105 WeakPolarHBondContact O-CB 3.22Å; Q102-N105 PolarHBondContact O-N 3.4Å; Q102-D106 PolarHBondContact O-N 3.27Å |
| 103 | E | 89.7 | Confident | 88.5 | Confident | 81 Ų | 81 | 106.1 Ų | 106.1 | 38% | 0.379 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.2 | -37.4 | 173.3 | -74.6 | -171 | -144.4 | 0 | 0 | 112.3 | Q99 E100 R107 | Q99-E103 PolarHBondContact O-N 2.76Å; E100-E103 PolarHBondContact O-N 3.45Å; E103-R107 WeakPolarHBondContact O-CB 3.42Å; E103-R107 WeakPolarHBondContact O-CD 3.32Å; E103-R107 WeakPolarHBondContact O-CG 3.22Å; E103-R107 PolarHBondContact O-N 3.19Å; E103-R107 PolarHBondContact O-NE 3.03Å; E103-R107 IonicContact OE2-CZ 3.82Å; E103-R107 IonicContact OE2-NH2 2.71Å; E103-R107 PolarHBondContact OE2-NH2 2.95Å |
| 104 | L | 90 | Very high | 89.3 | Confident | 85 Ų | 85 | 108.2 Ų | 108.2 | 45% | 0.445 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.8 | -39.4 | 174.9 | -166.5 | 74.5 | 0 | 0 | 0 | 111.4 | E100 Q102 R107 F108 | E100-L104 VanDerWaalsContact O-CB 3.27Å; E100-L104 WeakPolarHBondContact O-CB 3.44Å; E100-L104 PolarHBondContact O-N 3.29Å; Q102-L104 PolarHBondContact O-N 2.85Å; L104-R107 PolarHBondContact O-N 2.87Å; L104-F108 HydrophobicContact CD1-CE2 4.36Å; L104-F108 HydrophobicContact CD2-CE2 3.91Å; L104-F108 HydrophobicContact CG-CD2 4.12Å; L104-F108 HydrophobicContact CG-CE2 3.68Å; L104-F108 HydrophobicContact CG-CZ 4.47Å; L104-F108 WeakPolarHBondContact O-CD2 3.06Å; L104-F108 WeakPolarHBondContact O-CG 3.16Å; L104-F108 PolarHBondContact O-N 3.43Å |
| 105 | N | 90.4 | Very high | 89.9 | Confident | 105 Ų | 105 | 103.2 Ų | 103.2 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67 | -44.7 | 175.8 | -157.2 | -42.8 | 0 | 0 | 0 | 111.6 | L101 Q102 R107 F108 A109 | L101-N105 WeakPolarHBondContact O-CB 3.48Å; L101-N105 PolarHBondContact O-N 2.89Å; Q102-N105 CarbonylContact O-C 3.58Å; Q102-N105 WeakPolarHBondContact O-CA 3.29Å; Q102-N105 WeakPolarHBondContact O-CB 3.22Å; Q102-N105 PolarHBondContact O-N 3.4Å; N105-R107 VanDerWaalsContact C-N 3.3Å; N105-R107 PolarHBondContact O-N 2.77Å; N105-F108 CarbonylContact O-C 3.59Å; N105-F108 WeakPolarHBondContact O-CA 3.47Å; N105-F108 WeakPolarHBondContact O-CB 3.12Å; N105-F108 PolarHBondContact O-N 3.11Å; N105-A109 PolarHBondContact O-N 3.17Å |
| 106 | D | 90.9 | Very high | 90.4 | Very high | 80 Ų | 80 | 107.9 Ų | 107.9 | 43% | 0.428 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 175.7 | -65.9 | -28.5 | 0 | 0 | 0 | 110.9 | Q102 A109 N110 | Q102-D106 PolarHBondContact O-N 3.27Å; D106-A109 PolarHBondContact O-N 3.28Å; D106-N110 PolarHBondContact O-N 2.81Å; D106-N110 PolarHBondContact O-ND2 3.39Å |
| 107 | R | 92.3 | Very high | 91 | Very high | 159 Ų | 159 | 109 Ų | 109 | 60% | 0.6 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.3 | -38.4 | 171.5 | -69.3 | 166.1 | -156.1 | -156.7 | 10.5 | 112.1 | E103 L104 N105 F111 | E103-R107 WeakPolarHBondContact O-CB 3.42Å; E103-R107 WeakPolarHBondContact O-CD 3.32Å; E103-R107 WeakPolarHBondContact O-CG 3.22Å; E103-R107 PolarHBondContact O-N 3.19Å; E103-R107 PolarHBondContact O-NE 3.03Å; E103-R107 IonicContact OE2-CZ 3.82Å; E103-R107 IonicContact OE2-NH2 2.71Å; E103-R107 PolarHBondContact OE2-NH2 2.95Å; L104-R107 PolarHBondContact O-N 2.87Å; N105-R107 VanDerWaalsContact C-N 3.3Å; N105-R107 PolarHBondContact O-N 2.77Å; R107-F111 WeakPolarHBondContact O-CB 3.27Å; R107-F111 PolarHBondContact O-N 2.83Å |
| 108 | F | 91.9 | Very high | 91.4 | Very high | 120 Ų | 120 | 107 Ų | 107 | 53% | 0.526 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.6 | -37.9 | 173.5 | -77 | -53.2 | 0 | 0 | 0 | 113.1 | L104 N105 F111 I112 | L104-F108 HydrophobicContact CD1-CE2 4.36Å; L104-F108 HydrophobicContact CD2-CE2 3.91Å; L104-F108 HydrophobicContact CG-CD2 4.12Å; L104-F108 HydrophobicContact CG-CE2 3.68Å; L104-F108 HydrophobicContact CG-CZ 4.47Å; L104-F108 WeakPolarHBondContact O-CD2 3.06Å; L104-F108 WeakPolarHBondContact O-CG 3.16Å; L104-F108 PolarHBondContact O-N 3.43Å; N105-F108 CarbonylContact O-C 3.59Å; N105-F108 WeakPolarHBondContact O-CA 3.47Å; N105-F108 WeakPolarHBondContact O-CB 3.12Å; N105-F108 PolarHBondContact O-N 3.11Å; F108-F111 PolarHBondContact O-N 2.87Å; F108-I112 VanDerWaalsContact O-CG1 3.28Å; F108-I112 WeakPolarHBondContact O-CG1 3.27Å; F108-I112 PolarHBondContact O-N 3.41Å |
| 109 | A | 91.6 | Very high | 91.7 | Very high | 37 Ų | 37 | 105.8 Ų | 105.8 | 31% | 0.306 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -50 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | N105 D106 F111 I112 E113 | N105-A109 PolarHBondContact O-N 3.17Å; D106-A109 PolarHBondContact O-N 3.28Å; A109-F111 VanDerWaalsContact C-N 3.27Å; A109-F111 PolarHBondContact O-N 3.37Å; A109-I112 PolarHBondContact O-N 2.88Å; A109-I112 VanDerWaalsContact O-N 3.14Å; A109-E113 WeakPolarHBondContact O-CG 3.22Å; A109-E113 PolarHBondContact O-N 2.67Å |
| 110 | N | 93.6 | Very high | 92.2 | Very high | 110 Ų | 110 | 107 Ų | 107 | 59% | 0.588 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -56.3 | -39.1 | 172.6 | -80.5 | -81.7 | 0 | 0 | 0 | 112.4 | D106 K114 | D106-N110 PolarHBondContact O-N 2.81Å; D106-N110 PolarHBondContact O-ND2 3.39Å; N110-K114 WeakPolarHBondContact O-CB 3.12Å; N110-K114 PolarHBondContact O-N 3.45Å |
| 111 | F | 95.4 | Very high | 92.7 | Very high | 136 Ų | 136 | 105.1 Ų | 105.1 | 60% | 0.596 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.3 | -41.7 | 176 | -171.6 | -96.4 | 0 | 0 | 0 | 112.5 | R107 F108 A109 K114 V115 | R107-F111 WeakPolarHBondContact O-CB 3.27Å; R107-F111 PolarHBondContact O-N 2.83Å; F108-F111 PolarHBondContact O-N 2.87Å; A109-F111 VanDerWaalsContact C-N 3.27Å; A109-F111 PolarHBondContact O-N 3.37Å; F111-K114 PolarHBondContact O-N 3.44Å; F111-V115 HydrophobicContact CD1-CG2 3.99Å; F111-V115 HydrophobicContact CE1-CG2 3.63Å; F111-V115 HydrophobicContact CZ-CG2 4.03Å; F111-V115 WeakPolarHBondContact O-CG2 3.38Å; F111-V115 PolarHBondContact O-N 2.86Å |
| 112 | I | 93 | Very high | 93 | Very high | 86 Ų | 86 | 103 Ų | 103 | 44% | 0.441 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 176.9 | -70.4 | 163 | 0 | 0 | 0 | 110.9 | F108 A109 V115 R116 | F108-I112 VanDerWaalsContact O-CG1 3.28Å; F108-I112 WeakPolarHBondContact O-CG1 3.27Å; F108-I112 PolarHBondContact O-N 3.41Å; A109-I112 PolarHBondContact O-N 2.88Å; A109-I112 VanDerWaalsContact O-N 3.14Å; I112-V115 PolarHBondContact O-N 3.39Å; I112-R116 WeakPolarHBondContact O-CB 3.47Å; I112-R116 WeakPolarHBondContact O-CG 3.41Å; I112-R116 PolarHBondContact O-N 3.41Å |
| 113 | E | 93.9 | Very high | 93.4 | Very high | 124 Ų | 124 | 100.6 Ų | 100.6 | 58% | 0.579 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.2 | -41.6 | 173.2 | -72 | -177.7 | -176.7 | 0 | 0 | 111.6 | A109 V115 R116 F117 | A109-E113 WeakPolarHBondContact O-CG 3.22Å; A109-E113 PolarHBondContact O-N 2.67Å; E113-V115 PolarHBondContact O-N 3.12Å; E113-R116 PolarHBondContact O-N 2.85Å; E113-F117 WeakPolarHBondContact O-CB 3.37Å; E113-F117 PolarHBondContact O-N 2.85Å |
| 114 | K | 94.9 | Very high | 93.6 | Very high | 114 Ų | 114 | 99.3 Ų | 99.3 | 50% | 0.496 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 175.1 | -172.3 | 57 | 174.6 | 179.6 | 0 | 112.4 | N110 F111 L118 | N110-K114 WeakPolarHBondContact O-CB 3.12Å; N110-K114 PolarHBondContact O-N 3.45Å; F111-K114 PolarHBondContact O-N 3.44Å; K114-L118 HydrophobicContact CD-CD1 4.44Å; K114-L118 HydrophobicContact CD-CG 4.49Å; K114-L118 HydrophobicContact CG-CD1 4.15Å; K114-L118 WeakPolarHBondContact O-CB 3.23Å; K114-L118 VanDerWaalsContact O-CG 3.23Å; K114-L118 WeakPolarHBondContact O-CG 3.36Å; K114-L118 PolarHBondContact O-N 3.19Å |
| 115 | V | 95.4 | Very high | 93.7 | Very high | 50 Ų | 50 | 99.4 Ų | 99.4 | 30% | 0.303 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -50.6 | 173 | 167.6 | 0 | 0 | 0 | 0 | 110.3 | F111 I112 E113 F117 L118 E119 | F111-V115 HydrophobicContact CD1-CG2 3.99Å; F111-V115 HydrophobicContact CE1-CG2 3.63Å; F111-V115 HydrophobicContact CZ-CG2 4.03Å; F111-V115 WeakPolarHBondContact O-CG2 3.38Å; F111-V115 PolarHBondContact O-N 2.86Å; I112-V115 PolarHBondContact O-N 3.39Å; E113-V115 PolarHBondContact O-N 3.12Å; V115-F117 VanDerWaalsContact C-N 3.33Å; V115-F117 PolarHBondContact O-N 2.94Å; V115-L118 CarbonylContact O-C 3.5Å; V115-L118 PolarHBondContact O-N 2.85Å; V115-E119 HydrophobicContact CG1-CG 4.15Å; V115-E119 WeakPolarHBondContact O-CB 3.31Å; V115-E119 WeakPolarHBondContact O-CG 3.13Å; V115-E119 PolarHBondContact O-N 2.84Å |
| 116 | R | 93.8 | Very high | 93.7 | Very high | 161 Ų | 161 | 102.4 Ų | 102.4 | 61% | 0.608 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -57.9 | -42.2 | 177.6 | -74.7 | 172.4 | 175.4 | 174.9 | -0.5 | 112.9 | I112 E113 E119 Q120 | I112-R116 WeakPolarHBondContact O-CB 3.47Å; I112-R116 WeakPolarHBondContact O-CG 3.41Å; I112-R116 PolarHBondContact O-N 3.41Å; E113-R116 PolarHBondContact O-N 2.85Å; R116-E119 PolarHBondContact O-N 2.79Å; R116-Q120 WeakPolarHBondContact O-CB 3.44Å; R116-Q120 PolarHBondContact O-N 3.47Å |
| 117 | F | 96.2 | Very high | 93.5 | Very high | 111 Ų | 111 | 100.3 Ų | 100.3 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 174.2 | 179.3 | -86.7 | 0 | 0 | 0 | 111.4 | E113 V115 Q120 Q121 | E113-F117 WeakPolarHBondContact O-CB 3.37Å; E113-F117 PolarHBondContact O-N 2.85Å; V115-F117 VanDerWaalsContact C-N 3.33Å; V115-F117 PolarHBondContact O-N 2.94Å; F117-Q120 PolarHBondContact O-N 2.83Å; F117-Q121 VanDerWaalsContact O-CB 3.32Å; F117-Q121 WeakPolarHBondContact O-CB 3.25Å; F117-Q121 PolarHBondContact O-N 3.27Å |
| 118 | L | 94.7 | Very high | 93.4 | Very high | 72 Ų | 72 | 98.2 Ų | 98.2 | 38% | 0.377 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.2 | -33.5 | 177.3 | -71.5 | 169.7 | 0 | 0 | 0 | 112.5 | K114 V115 N122 | K114-L118 HydrophobicContact CD-CD1 4.44Å; K114-L118 HydrophobicContact CD-CG 4.49Å; K114-L118 HydrophobicContact CG-CD1 4.15Å; K114-L118 WeakPolarHBondContact O-CB 3.23Å; K114-L118 VanDerWaalsContact O-CG 3.23Å; K114-L118 WeakPolarHBondContact O-CG 3.36Å; K114-L118 PolarHBondContact O-N 3.19Å; V115-L118 CarbonylContact O-C 3.5Å; V115-L118 PolarHBondContact O-N 2.85Å; L118-N122 VanDerWaalsContact O-CB 3.28Å; L118-N122 WeakPolarHBondContact O-CB 3.26Å; L118-N122 PolarHBondContact O-N 3.22Å; L118-N122 PolarHBondContact O-ND2 3.2Å |
| 119 | E | 93.6 | Very high | 93 | Very high | 119 Ų | 119 | 96.9 Ų | 96.9 | 56% | 0.556 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.1 | -46.1 | 173.3 | -74.1 | 174.4 | 149.6 | 0 | 0 | 111.1 | V115 R116 N122 A123 | V115-E119 HydrophobicContact CG1-CG 4.15Å; V115-E119 WeakPolarHBondContact O-CB 3.31Å; V115-E119 WeakPolarHBondContact O-CG 3.13Å; V115-E119 PolarHBondContact O-N 2.84Å; R116-E119 PolarHBondContact O-N 2.79Å; E119-N122 PolarHBondContact O-N 2.81Å; E119-A123 WeakPolarHBondContact O-CB 3.44Å; E119-A123 PolarHBondContact O-N 2.93Å |
| 120 | Q | 95.5 | Very high | 92.6 | Very high | 143 Ų | 143 | 98.7 Ų | 98.7 | 67% | 0.668 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.1 | -42.8 | 175.4 | -171.8 | 176.8 | 11.5 | 0 | 0 | 111.6 | R116 F117 A123 A124 | R116-Q120 WeakPolarHBondContact O-CB 3.44Å; R116-Q120 PolarHBondContact O-N 3.47Å; F117-Q120 PolarHBondContact O-N 2.83Å; Q120-A123 WeakPolarHBondContact O-CB 3.47Å; Q120-A123 PolarHBondContact O-N 2.94Å; Q120-A124 PolarHBondContact O-N 2.84Å |
| 121 | Q | 95.6 | Very high | 92.1 | Very high | 92 Ų | 92 | 99.3 Ų | 99.3 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 175.2 | -169.1 | 176.6 | 14.9 | 0 | 0 | 111.6 | F117 A123 A124 L125 | F117-Q121 VanDerWaalsContact O-CB 3.32Å; F117-Q121 WeakPolarHBondContact O-CB 3.25Å; F117-Q121 PolarHBondContact O-N 3.27Å; Q121-A123 VanDerWaalsContact C-N 3.33Å; Q121-A123 PolarHBondContact O-N 3.13Å; Q121-A124 PolarHBondContact O-N 3.39Å; Q121-L125 HydrophobicContact CG-CD1 4.14Å; Q121-L125 WeakPolarHBondContact O-CB 3.15Å; Q121-L125 VanDerWaalsContact O-CG 3.28Å; Q121-L125 WeakPolarHBondContact O-CG 3.4Å; Q121-L125 PolarHBondContact O-N 3.3Å |
| 122 | N | 93.4 | Very high | 91.2 | Very high | 70 Ų | 70 | 95.2 Ų | 95.2 | 37% | 0.374 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.2 | -34.5 | 173.3 | -89 | -87.3 | 0 | 0 | 0 | 112.3 | L118 E119 R126 | L118-N122 VanDerWaalsContact O-CB 3.28Å; L118-N122 WeakPolarHBondContact O-CB 3.26Å; L118-N122 PolarHBondContact O-N 3.22Å; L118-N122 PolarHBondContact O-ND2 3.2Å; E119-N122 PolarHBondContact O-N 2.81Å; N122-R126 VanDerWaalsContact O-CB 3.3Å; N122-R126 WeakPolarHBondContact O-CB 3.36Å; N122-R126 VanDerWaalsContact O-CD 3.29Å; N122-R126 WeakPolarHBondContact O-CD 3.23Å; N122-R126 WeakPolarHBondContact O-CG 3.47Å; N122-R126 PolarHBondContact O-N 2.86Å |
| 123 | A | 95 | Very high | 90.5 | Very high | 58 Ų | 58 | 99.8 Ų | 99.8 | 48% | 0.479 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E119 Q120 Q121 R126 G127 | E119-A123 WeakPolarHBondContact O-CB 3.44Å; E119-A123 PolarHBondContact O-N 2.93Å; Q120-A123 WeakPolarHBondContact O-CB 3.47Å; Q120-A123 PolarHBondContact O-N 2.94Å; Q121-A123 VanDerWaalsContact C-N 3.33Å; Q121-A123 PolarHBondContact O-N 3.13Å; A123-R126 PolarHBondContact O-N 2.89Å; A123-G127 PolarHBondContact O-N 2.87Å |
| 124 | A | 94.3 | Very high | 89.4 | Confident | 53 Ų | 53 | 96.3 Ų | 96.3 | 44% | 0.438 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.5 | -52.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q120 Q121 R126 G127 E128 | Q120-A124 PolarHBondContact O-N 2.84Å; Q121-A124 PolarHBondContact O-N 3.39Å; A124-R126 VanDerWaalsContact C-N 3.28Å; A124-R126 PolarHBondContact O-N 2.63Å; A124-G127 WeakPolarHBondContact O-CA 3.27Å; A124-G127 PolarHBondContact O-N 2.83Å; A124-E128 PolarHBondContact O-N 3.28Å |
| 125 | L | 91.9 | Very high | 88.3 | Confident | 87 Ų | 87 | 96.5 Ų | 96.5 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.7 | -35.2 | 178.3 | -70.6 | 169 | 0 | 0 | 0 | 112.8 | Q121 L129 | Q121-L125 HydrophobicContact CG-CD1 4.14Å; Q121-L125 WeakPolarHBondContact O-CB 3.15Å; Q121-L125 VanDerWaalsContact O-CG 3.28Å; Q121-L125 WeakPolarHBondContact O-CG 3.4Å; Q121-L125 PolarHBondContact O-N 3.3Å; L125-L129 WeakPolarHBondContact O-CB 3.46Å; L125-L129 PolarHBondContact O-N 3.48Å |
| 126 | R | 89.9 | Confident | 86.9 | Confident | 168 Ų | 168 | 101.4 Ų | 101.4 | 63% | 0.634 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.6 | -33.8 | 172.8 | -74.7 | 165.4 | -173.6 | 158.4 | 2.5 | 112.3 | N122 A123 A124 S130 | N122-R126 VanDerWaalsContact O-CB 3.3Å; N122-R126 WeakPolarHBondContact O-CB 3.36Å; N122-R126 VanDerWaalsContact O-CD 3.29Å; N122-R126 WeakPolarHBondContact O-CD 3.23Å; N122-R126 WeakPolarHBondContact O-CG 3.47Å; N122-R126 PolarHBondContact O-N 2.86Å; A123-R126 PolarHBondContact O-N 2.89Å; A124-R126 VanDerWaalsContact C-N 3.28Å; A124-R126 PolarHBondContact O-N 2.63Å; R126-S130 WeakPolarHBondContact O-CB 3.33Å; R126-S130 PolarHBondContact O-N 3.21Å; R126-S130 PolarHBondContact O-OG 3.37Å |
| 127 | G | 88.6 | Confident | 85.8 | Confident | 36 Ų | 36 | 97 Ų | 97 | 37% | 0.371 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -58.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A123 A124 L129 S130 Q131 | A123-G127 PolarHBondContact O-N 2.87Å; A124-G127 WeakPolarHBondContact O-CA 3.27Å; A124-G127 PolarHBondContact O-N 2.83Å; G127-L129 VanDerWaalsContact C-N 3.34Å; G127-L129 PolarHBondContact O-N 2.85Å; G127-S130 PolarHBondContact O-N 3.42Å; G127-S130 VanDerWaalsContact O-N 3.07Å; G127-S130 PolarHBondContact O-OG 3.36Å; G127-Q131 PolarHBondContact O-N 2.88Å |
| 128 | E | 88.4 | Confident | 84.8 | Confident | 116 Ų | 116 | 93.7 Ų | 93.7 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -54.3 | -47.3 | 178.2 | -67.1 | 167.3 | -173.6 | 0 | 0 | 111.9 | A124 S130 Q131 A132 | A124-E128 PolarHBondContact O-N 3.28Å; E128-S130 VanDerWaalsContact C-N 3.31Å; E128-S130 PolarHBondContact O-N 2.89Å; E128-Q131 PolarHBondContact O-N 2.84Å; E128-A132 PolarHBondContact O-N 3.1Å |
| 129 | L | 83.8 | Confident | 84.2 | Confident | 91 Ų | 91 | 98.9 Ų | 98.9 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.5 | -26.8 | 179.8 | -175.4 | 146.1 | 0 | 0 | 0 | 113.2 | L125 G127 R133 | L125-L129 WeakPolarHBondContact O-CB 3.46Å; L125-L129 PolarHBondContact O-N 3.48Å; G127-L129 VanDerWaalsContact C-N 3.34Å; G127-L129 PolarHBondContact O-N 2.85Å; L129-R133 WeakPolarHBondContact O-CB 3.21Å; L129-R133 VanDerWaalsContact O-CG 3.24Å; L129-R133 WeakPolarHBondContact O-CG 3.39Å; L129-R133 PolarHBondContact O-N 3.01Å |
| 130 | S | 83.1 | Confident | 83.7 | Confident | 76 Ų | 76 | 95.5 Ų | 95.5 | 53% | 0.531 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -77.2 | -36.9 | 171.6 | 70.8 | 0 | 0 | 0 | 0 | 112 | R126 G127 E128 G134 | R126-S130 WeakPolarHBondContact O-CB 3.33Å; R126-S130 PolarHBondContact O-N 3.21Å; R126-S130 PolarHBondContact O-OG 3.37Å; G127-S130 PolarHBondContact O-N 3.42Å; G127-S130 VanDerWaalsContact O-N 3.07Å; G127-S130 PolarHBondContact O-OG 3.36Å; E128-S130 VanDerWaalsContact C-N 3.31Å; E128-S130 PolarHBondContact O-N 2.89Å; S130-G134 PolarHBondContact O-N 2.92Å |
| 131 | Q | 83.4 | Confident | 83.2 | Confident | 123 Ų | 123 | 93.2 Ų | 93.2 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.8 | -47.3 | 175.4 | -170.2 | 175.2 | 20.7 | 0 | 0 | 112.1 | G127 E128 G134 Q135 | G127-Q131 PolarHBondContact O-N 2.88Å; E128-Q131 PolarHBondContact O-N 2.84Å; Q131-G134 PolarHBondContact O-N 2.96Å; Q131-Q135 WeakPolarHBondContact O-CG 3.22Å; Q131-Q135 PolarHBondContact O-N 3.37Å |
| 132 | A | 77.8 | Confident | 82.9 | Confident | 49 Ų | 49 | 94.1 Ų | 94.1 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.6 | -48.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E128 G134 Q135 E136 | E128-A132 PolarHBondContact O-N 3.1Å; A132-G134 PolarHBondContact O-N 3.05Å; A132-Q135 PolarHBondContact O-N 2.83Å; A132-Q135 VanDerWaalsContact O-N 3.16Å; A132-E136 PolarHBondContact O-N 3.09Å; A132-E136 VanDerWaalsContact O-N 3.17Å |
| 133 | R | 76.6 | Confident | 82.8 | Confident | 183 Ų | 183 | 94.7 Ų | 94.7 | 69% | 0.691 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.9 | -25.7 | 177.1 | -77 | 179.2 | 174.7 | -175 | -1.1 | 114.1 | L129 P137 | L129-R133 WeakPolarHBondContact O-CB 3.21Å; L129-R133 VanDerWaalsContact O-CG 3.24Å; L129-R133 WeakPolarHBondContact O-CG 3.39Å; L129-R133 PolarHBondContact O-N 3.01Å; R133-P137 VanDerWaalsContact O-CD 3.26Å; R133-P137 WeakPolarHBondContact O-CD 3.26Å; R133-P137 WeakPolarHBondContact O-CG 3.45Å |
| 134 | G | 72.3 | Confident | 82.7 | Confident | 50 Ų | 50 | 95.7 Ų | 95.7 | 52% | 0.515 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -78.7 | -30.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | S130 Q131 A132 | S130-G134 PolarHBondContact O-N 2.92Å; Q131-G134 PolarHBondContact O-N 2.96Å; A132-G134 PolarHBondContact O-N 3.05Å |
| 135 | Q | 70.3 | Confident | 82.7 | Confident | 119 Ų | 119 | 97.5 Ų | 97.5 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -93.5 | -43.9 | -171.3 | -69.2 | -177.4 | 7.4 | 0 | 0 | 113.9 | Q131 A132 R139 | Q131-Q135 WeakPolarHBondContact O-CG 3.22Å; Q131-Q135 PolarHBondContact O-N 3.37Å; A132-Q135 PolarHBondContact O-N 2.83Å; A132-Q135 VanDerWaalsContact O-N 3.16Å; Q135-R139 VanDerWaalsContact O-CB 3.3Å; Q135-R139 WeakPolarHBondContact O-CB 3.41Å; Q135-R139 PolarHBondContact O-N 3.39Å |
| 136 | E | 67.3 | Low | 82.9 | Confident | 152 Ų | 152 | 97.5 Ų | 97.5 | 71% | 0.71 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65 | -52.8 | -173.8 | -64.1 | -155.4 | 135.8 | 0 | 0 | 114.7 | A132 A138 R139 A140 | A132-E136 PolarHBondContact O-N 3.09Å; A132-E136 VanDerWaalsContact O-N 3.17Å; E136-A138 PolarHBondContact O-N 2.93Å; E136-R139 PolarHBondContact O-N 3.36Å; E136-A140 PolarHBondContact O-N 3.02Å |
| 137 | P | 70.6 | Confident | 83.2 | Confident | 69 Ų | 69 | 94.9 Ų | 94.9 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | -179.3 | 24.8 | -33.1 | 0 | 0 | 0 | 111.7 | R133 R139 A140 D141 | R133-P137 VanDerWaalsContact O-CD 3.26Å; R133-P137 WeakPolarHBondContact O-CD 3.26Å; R133-P137 WeakPolarHBondContact O-CG 3.45Å; P137-R139 VanDerWaalsContact C-N 3.28Å; P137-R139 PolarHBondContact O-N 2.89Å; P137-A140 PolarHBondContact O-N 3.4Å; P137-D141 WeakPolarHBondContact O-CB 3.46Å; P137-D141 PolarHBondContact O-N 3.46Å |
| 138 | A | 75.8 | Confident | 83.6 | Confident | 42 Ų | 42 | 97.4 Ų | 97.4 | 35% | 0.347 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -35.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E136 Q142 | E136-A138 PolarHBondContact O-N 2.93Å; A138-Q142 WeakPolarHBondContact O-CB 3.37Å; A138-Q142 WeakPolarHBondContact O-CG 3.34Å; A138-Q142 PolarHBondContact O-N 2.95Å; A138-Q142 VanDerWaalsContact O-N 3.15Å; A138-Q142 PolarHBondContact O-NE2 3.08Å |
| 139 | R | 81.3 | Confident | 84 | Confident | 180 Ų | 180 | 97.1 Ų | 97.1 | 68% | 0.679 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -73.5 | -41.3 | 175.3 | -174.2 | 178.2 | 179.5 | -172.8 | -0.9 | 112.1 | Q135 E136 P137 Q142 L143 | Q135-R139 VanDerWaalsContact O-CB 3.3Å; Q135-R139 WeakPolarHBondContact O-CB 3.41Å; Q135-R139 PolarHBondContact O-N 3.39Å; E136-R139 PolarHBondContact O-N 3.36Å; P137-R139 VanDerWaalsContact C-N 3.28Å; P137-R139 PolarHBondContact O-N 2.89Å; R139-Q142 PolarHBondContact O-N 2.69Å; R139-L143 HydrophobicContact CG-CD1 4.36Å; R139-L143 WeakPolarHBondContact O-CG 3.26Å; R139-L143 PolarHBondContact O-N 2.84Å; R139-L143 VanDerWaalsContact O-N 3.1Å |
| 140 | A | 82.4 | Confident | 84.7 | Confident | 49 Ų | 49 | 97.5 Ų | 97.5 | 41% | 0.405 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -48.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E136 P137 Q142 L143 C144 | E136-A140 PolarHBondContact O-N 3.02Å; P137-A140 PolarHBondContact O-N 3.4Å; A140-Q142 VanDerWaalsContact C-N 3.32Å; A140-Q142 PolarHBondContact O-N 3.31Å; A140-L143 PolarHBondContact O-N 3.41Å; A140-C144 PolarHBondContact O-N 3.16Å; A140-C144 PolarHBondContact O-SG 2.87Å |
| 141 | D | 86.2 | Confident | 85.3 | Confident | 95 Ų | 95 | 98.1 Ų | 98.1 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.3 | -41.4 | 176.6 | -73.4 | -21.7 | 0 | 0 | 0 | 112 | P137 Q145 | P137-D141 WeakPolarHBondContact O-CB 3.46Å; P137-D141 PolarHBondContact O-N 3.46Å; D141-Q145 VanDerWaalsContact O-CB 3.31Å; D141-Q145 WeakPolarHBondContact O-CB 3.46Å; D141-Q145 WeakPolarHBondContact O-CG 3.33Å; D141-Q145 PolarHBondContact O-N 2.89Å |
| 142 | Q | 89.8 | Confident | 86 | Confident | 111 Ų | 111 | 100 Ų | 100 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 177.3 | -78.5 | 169.1 | 30.5 | 0 | 0 | 112.4 | A138 R139 A140 Q145 Q146 | A138-Q142 WeakPolarHBondContact O-CB 3.37Å; A138-Q142 WeakPolarHBondContact O-CG 3.34Å; A138-Q142 PolarHBondContact O-N 2.95Å; A138-Q142 VanDerWaalsContact O-N 3.15Å; A138-Q142 PolarHBondContact O-NE2 3.08Å; R139-Q142 PolarHBondContact O-N 2.69Å; A140-Q142 VanDerWaalsContact C-N 3.32Å; A140-Q142 PolarHBondContact O-N 3.31Å; Q142-Q145 PolarHBondContact O-N 3.44Å; Q142-Q146 VanDerWaalsContact O-CG 3.3Å; Q142-Q146 WeakPolarHBondContact O-CG 3.17Å; Q142-Q146 PolarHBondContact O-N 3.37Å |
| 143 | L | 91.1 | Very high | 87 | Confident | 82 Ų | 82 | 104 Ų | 104 | 43% | 0.429 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.3 | -52.2 | 176.3 | -69.7 | 168.6 | 0 | 0 | 0 | 110.9 | R139 A140 Q145 Q146 E147 | R139-L143 HydrophobicContact CG-CD1 4.36Å; R139-L143 WeakPolarHBondContact O-CG 3.26Å; R139-L143 PolarHBondContact O-N 2.84Å; R139-L143 VanDerWaalsContact O-N 3.1Å; A140-L143 PolarHBondContact O-N 3.41Å; L143-Q145 PolarHBondContact O-N 3.29Å; L143-Q145 VanDerWaalsContact O-N 3.16Å; L143-Q146 WeakPolarHBondContact O-CA 3.42Å; L143-Q146 WeakPolarHBondContact O-CB 3.39Å; L143-Q146 PolarHBondContact O-N 3.08Å; L143-E147 WeakPolarHBondContact O-CG 3.32Å; L143-E147 PolarHBondContact O-N 3.16Å |
| 144 | C | 92.9 | Very high | 88 | Confident | 78 Ų | 78 | 100.5 Ų | 100.5 | 53% | 0.527 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.9 | -33.4 | 177.6 | -67.7 | 0 | 0 | 0 | 0 | 112.7 | A140 L148 | A140-C144 PolarHBondContact O-N 3.16Å; A140-C144 PolarHBondContact O-SG 2.87Å; C144-L148 VanDerWaalsContact O-CB 3.29Å; C144-L148 WeakPolarHBondContact O-CB 3.43Å; C144-L148 WeakPolarHBondContact O-CD1 3.49Å; C144-L148 VanDerWaalsContact O-CG 3.27Å; C144-L148 WeakPolarHBondContact O-CG 3.49Å; C144-L148 PolarHBondContact O-N 2.74Å |
| 145 | Q | 94.3 | Very high | 89.2 | Confident | 91 Ų | 91 | 104 Ų | 104 | 43% | 0.425 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -74.8 | -24.7 | 172.1 | -70 | 173.5 | 33.1 | 0 | 0 | 114 | D141 Q142 L143 R149 | D141-Q145 VanDerWaalsContact O-CB 3.31Å; D141-Q145 WeakPolarHBondContact O-CB 3.46Å; D141-Q145 WeakPolarHBondContact O-CG 3.33Å; D141-Q145 PolarHBondContact O-N 2.89Å; Q142-Q145 PolarHBondContact O-N 3.44Å; L143-Q145 PolarHBondContact O-N 3.29Å; L143-Q145 VanDerWaalsContact O-N 3.16Å; Q145-R149 VanDerWaalsContact CB-NH1 3.29Å; Q145-R149 WeakPolarHBondContact O-CD 3.45Å; Q145-R149 WeakPolarHBondContact O-CG 3.28Å; Q145-R149 PolarHBondContact O-N 2.86Å; Q145-R149 PolarHBondContact O-NH1 3.33Å |
| 146 | Q | 96 | Very high | 90.5 | Very high | 87 Ų | 87 | 103.3 Ų | 103.3 | 41% | 0.407 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.9 | -52.6 | 173.4 | -75.8 | 163.5 | 0.6 | 0 | 0 | 109.7 | Q142 L143 L148 R149 E150 | Q142-Q146 VanDerWaalsContact O-CG 3.3Å; Q142-Q146 WeakPolarHBondContact O-CG 3.17Å; Q142-Q146 PolarHBondContact O-N 3.37Å; L143-Q146 WeakPolarHBondContact O-CA 3.42Å; L143-Q146 WeakPolarHBondContact O-CB 3.39Å; L143-Q146 PolarHBondContact O-N 3.08Å; Q146-L148 VanDerWaalsContact C-N 3.31Å; Q146-L148 PolarHBondContact O-N 3.37Å; Q146-R149 WeakPolarHBondContact O-CA 3.28Å; Q146-R149 WeakPolarHBondContact O-CB 3.36Å; Q146-R149 PolarHBondContact O-N 3.18Å; Q146-E150 PolarHBondContact O-N 3.48Å |
| 147 | E | 96.1 | Very high | 92 | Very high | 113 Ų | 113 | 100.3 Ų | 100.3 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -50.2 | -48.8 | 171.7 | -58.4 | -66.5 | 155.6 | 0 | 0 | 111.4 | L143 R149 E150 L151 | L143-E147 WeakPolarHBondContact O-CG 3.32Å; L143-E147 PolarHBondContact O-N 3.16Å; E147-R149 VanDerWaalsContact C-N 3.27Å; E147-R149 PolarHBondContact O-N 3.18Å; E147-E150 PolarHBondContact O-N 3.36Å; E147-E150 VanDerWaalsContact O-N 3.11Å; E147-L151 WeakPolarHBondContact O-CB 3.42Å; E147-L151 WeakPolarHBondContact O-CG 3.21Å; E147-L151 PolarHBondContact O-N 2.9Å |
| 148 | L | 96.5 | Very high | 93.3 | Very high | 89 Ų | 89 | 102 Ų | 102 | 47% | 0.466 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.7 | -22.6 | 177.1 | -81.6 | 170 | 0 | 0 | 0 | 114.7 | C144 Q146 R152 | C144-L148 VanDerWaalsContact O-CB 3.29Å; C144-L148 WeakPolarHBondContact O-CB 3.43Å; C144-L148 WeakPolarHBondContact O-CD1 3.49Å; C144-L148 VanDerWaalsContact O-CG 3.27Å; C144-L148 WeakPolarHBondContact O-CG 3.49Å; C144-L148 PolarHBondContact O-N 2.74Å; Q146-L148 VanDerWaalsContact C-N 3.31Å; Q146-L148 PolarHBondContact O-N 3.37Å; L148-R152 WeakPolarHBondContact O-CB 3.28Å; L148-R152 WeakPolarHBondContact O-CD 3.3Å; L148-R152 WeakPolarHBondContact O-CG 3.35Å; L148-R152 PolarHBondContact O-NE 3.09Å |
| 149 | R | 97.4 | Very high | 94.4 | Very high | 111 Ų | 111 | 100.6 Ų | 100.6 | 42% | 0.419 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -83.2 | -31.3 | 172.7 | -71.8 | 165.6 | -166.3 | 115.2 | 0.5 | 111.3 | Q145 Q146 E147 R153 | Q145-R149 VanDerWaalsContact CB-NH1 3.29Å; Q145-R149 WeakPolarHBondContact O-CD 3.45Å; Q145-R149 WeakPolarHBondContact O-CG 3.28Å; Q145-R149 PolarHBondContact O-N 2.86Å; Q145-R149 PolarHBondContact O-NH1 3.33Å; Q146-R149 WeakPolarHBondContact O-CA 3.28Å; Q146-R149 WeakPolarHBondContact O-CB 3.36Å; Q146-R149 PolarHBondContact O-N 3.18Å; E147-R149 VanDerWaalsContact C-N 3.27Å; E147-R149 PolarHBondContact O-N 3.18Å; R149-R153 WeakPolarHBondContact O-CG 3.24Å; R149-R153 PolarHBondContact O-N 2.91Å |
| 150 | E | 97.4 | Very high | 95.2 | Very high | 98 Ų | 98 | 99.3 Ų | 99.3 | 46% | 0.458 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -77.5 | -50 | -179.3 | -76.6 | 158 | -143.9 | 0 | 0 | 110.8 | Q146 E147 R152 R153 E154 | Q146-E150 PolarHBondContact O-N 3.48Å; E147-E150 PolarHBondContact O-N 3.36Å; E147-E150 VanDerWaalsContact O-N 3.11Å; E150-R152 PolarHBondContact O-N 3.35Å; E150-R152 VanDerWaalsContact O-N 3.12Å; E150-R153 WeakPolarHBondContact O-CA 3.43Å; E150-R153 WeakPolarHBondContact O-CB 3.48Å; E150-R153 PolarHBondContact O-N 3.5Å; E150-E154 PolarHBondContact O-N 2.83Å |
| 151 | L | 96.9 | Very high | 95.9 | Very high | 90 Ų | 90 | 102.5 Ų | 102.5 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -55.2 | -32.5 | 171.5 | -67.8 | 169.2 | 0 | 0 | 0 | 113.2 | E147 L155 | E147-L151 WeakPolarHBondContact O-CB 3.42Å; E147-L151 WeakPolarHBondContact O-CG 3.21Å; E147-L151 PolarHBondContact O-N 2.9Å; L151-L155 WeakPolarHBondContact O-CB 3.32Å; L151-L155 WeakPolarHBondContact O-CG 3.3Å; L151-L155 PolarHBondContact O-N 2.84Å |
| 152 | R | 97.7 | Very high | 96.5 | Very high | 161 Ų | 161 | 105.5 Ų | 105.5 | 61% | 0.608 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -70.2 | -40.8 | 173.7 | -77.7 | 174.1 | -168 | -165.1 | 1.7 | 112.7 | L148 E150 E154 L155 E156 | L148-R152 WeakPolarHBondContact O-CB 3.28Å; L148-R152 WeakPolarHBondContact O-CD 3.3Å; L148-R152 WeakPolarHBondContact O-CG 3.35Å; L148-R152 PolarHBondContact O-NE 3.09Å; E150-R152 PolarHBondContact O-N 3.35Å; E150-R152 VanDerWaalsContact O-N 3.12Å; R152-E154 VanDerWaalsContact C-N 3.35Å; R152-L155 PolarHBondContact O-N 2.94Å; R152-E156 WeakPolarHBondContact O-CG 3.31Å; R152-E156 PolarHBondContact O-N 3.31Å |
| 153 | R | 98.1 | Very high | 96.9 | Very high | 135 Ų | 135 | 103.9 Ų | 103.9 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 174.8 | -69.9 | 171.8 | -168.9 | 125.8 | -7.8 | 111.1 | R149 E150 E156 L157 | R149-R153 WeakPolarHBondContact O-CG 3.24Å; R149-R153 PolarHBondContact O-N 2.91Å; E150-R153 WeakPolarHBondContact O-CA 3.43Å; E150-R153 WeakPolarHBondContact O-CB 3.48Å; E150-R153 PolarHBondContact O-N 3.5Å; R153-E156 PolarHBondContact O-N 3.48Å; R153-L157 VanDerWaalsContact O-CG 3.29Å; R153-L157 WeakPolarHBondContact O-CG 3.38Å; R153-L157 PolarHBondContact O-N 3.24Å |
| 154 | E | 97.9 | Very high | 97.2 | Very high | 109 Ų | 109 | 107.8 Ų | 107.8 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 174.3 | -68.5 | -179.9 | 162.4 | 0 | 0 | 111.3 | E150 R152 E156 L157 L158 | E150-E154 PolarHBondContact O-N 2.83Å; R152-E154 VanDerWaalsContact C-N 3.35Å; E154-E156 VanDerWaalsContact C-N 3.34Å; E154-E156 PolarHBondContact O-N 2.99Å; E154-L157 PolarHBondContact O-N 3.04Å; E154-L158 WeakPolarHBondContact O-CB 3.39Å; E154-L158 VanDerWaalsContact O-CG 3.29Å; E154-L158 WeakPolarHBondContact O-CG 3.47Å; E154-L158 PolarHBondContact O-N 2.83Å |
| 155 | L | 98 | Very high | 97.4 | Very high | 122 Ų | 122 | 108.3 Ų | 108.3 | 64% | 0.639 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.8 | -38.1 | 173 | -78.8 | 167.5 | 0 | 0 | 0 | 113.1 | L151 R152 G159 | L151-L155 WeakPolarHBondContact O-CB 3.32Å; L151-L155 WeakPolarHBondContact O-CG 3.3Å; L151-L155 PolarHBondContact O-N 2.84Å; R152-L155 PolarHBondContact O-N 2.94Å; L155-G159 PolarHBondContact O-N 2.86Å |
| 156 | E | 97.9 | Very high | 97.6 | Very high | 105 Ų | 105 | 107.6 Ų | 107.6 | 49% | 0.491 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67 | -38.5 | 174 | -77.8 | -178.4 | -137.5 | 0 | 0 | 112.8 | R152 R153 E154 R160 | R152-E156 WeakPolarHBondContact O-CG 3.31Å; R152-E156 PolarHBondContact O-N 3.31Å; R153-E156 PolarHBondContact O-N 3.48Å; E154-E156 VanDerWaalsContact C-N 3.34Å; E154-E156 PolarHBondContact O-N 2.99Å; E156-R160 VanDerWaalsContact O-CG 3.26Å; E156-R160 WeakPolarHBondContact O-CG 3.47Å; E156-R160 PolarHBondContact O-N 3.2Å; E156-R160 VanDerWaalsContact O-N 3.12Å; E156-R160 IonicContact OE2-NH2 2.77Å; E156-R160 PolarHBondContact OE2-NH2 3.06Å |
| 157 | L | 98.1 | Very high | 97.7 | Very high | 90 Ų | 90 | 108.5 Ų | 108.5 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.5 | -51.1 | 177.3 | -71.1 | 170.7 | 0 | 0 | 0 | 110.9 | R153 E154 G159 R160 E161 | R153-L157 VanDerWaalsContact O-CG 3.29Å; R153-L157 WeakPolarHBondContact O-CG 3.38Å; R153-L157 PolarHBondContact O-N 3.24Å; E154-L157 PolarHBondContact O-N 3.04Å; L157-G159 PolarHBondContact O-N 3Å; L157-R160 PolarHBondContact O-N 3.2Å; L157-E161 WeakPolarHBondContact O-CG 3.49Å; L157-E161 PolarHBondContact O-N 2.9Å |
| 158 | L | 97.9 | Very high | 97.7 | Very high | 103 Ų | 103 | 107.3 Ų | 107.3 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.3 | -33.9 | 175.2 | -69.1 | 169.9 | 0 | 0 | 0 | 112 | E154 R162 | E154-L158 WeakPolarHBondContact O-CB 3.39Å; E154-L158 VanDerWaalsContact O-CG 3.29Å; E154-L158 WeakPolarHBondContact O-CG 3.47Å; E154-L158 PolarHBondContact O-N 2.83Å; L158-R162 VanDerWaalsContact O-CB 3.26Å; L158-R162 WeakPolarHBondContact O-CB 3.45Å; L158-R162 PolarHBondContact O-N 2.86Å |
| 159 | G | 98.4 | Very high | 97.7 | Very high | 14 Ų | 14 | 110 Ų | 110 | 14% | 0.144 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -61.7 | -49 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L155 L157 R162 D163 | L155-G159 PolarHBondContact O-N 2.86Å; L157-G159 PolarHBondContact O-N 3Å; G159-R162 PolarHBondContact O-N 3.04Å; G159-D163 WeakPolarHBondContact O-CB 3.3Å; G159-D163 PolarHBondContact O-N 3.24Å |
| 160 | R | 98.4 | Very high | 97.6 | Very high | 152 Ų | 152 | 107.3 Ų | 107.3 | 57% | 0.574 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.8 | -37.4 | 177.4 | -66.3 | 166.1 | -156.8 | 177.4 | 9.3 | 112.4 | E156 L157 D163 R164 | E156-R160 VanDerWaalsContact O-CG 3.26Å; E156-R160 WeakPolarHBondContact O-CG 3.47Å; E156-R160 PolarHBondContact O-N 3.2Å; E156-R160 VanDerWaalsContact O-N 3.12Å; E156-R160 IonicContact OE2-NH2 2.77Å; E156-R160 PolarHBondContact OE2-NH2 3.06Å; L157-R160 PolarHBondContact O-N 3.2Å; R160-D163 PolarHBondContact O-N 3.46Å; R160-R164 VanDerWaalsContact O-CB 3.3Å; R160-R164 WeakPolarHBondContact O-CB 3.43Å; R160-R164 PolarHBondContact O-N 3.25Å |
| 161 | E | 98.1 | Very high | 97.5 | Very high | 117 Ų | 117 | 104.1 Ų | 104.1 | 55% | 0.547 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.7 | -45.2 | 175.7 | -72.4 | 176.1 | 177.3 | 0 | 0 | 111.5 | L157 D163 R164 V165 | L157-E161 WeakPolarHBondContact O-CG 3.49Å; L157-E161 PolarHBondContact O-N 2.9Å; E161-D163 PolarHBondContact O-N 3.04Å; E161-R164 PolarHBondContact O-N 3Å; E161-V165 WeakPolarHBondContact O-CB 3.37Å; E161-V165 VanDerWaalsContact O-CG2 3.32Å; E161-V165 WeakPolarHBondContact O-CG2 3.46Å; E161-V165 PolarHBondContact O-N 3.43Å |
| 162 | R | 98.1 | Very high | 97.4 | Very high | 157 Ų | 157 | 104.9 Ų | 104.9 | 59% | 0.592 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -55.3 | -50.7 | 170.5 | 176.5 | -157.1 | 67.8 | -151 | -5.9 | 111.1 | L158 G159 R164 V165 Q166 | L158-R162 VanDerWaalsContact O-CB 3.26Å; L158-R162 WeakPolarHBondContact O-CB 3.45Å; L158-R162 PolarHBondContact O-N 2.86Å; G159-R162 PolarHBondContact O-N 3.04Å; R162-R164 VanDerWaalsContact C-N 3.32Å; R162-R164 PolarHBondContact O-N 3.06Å; R162-V165 PolarHBondContact O-N 3.24Å; R162-Q166 VanDerWaalsContact O-CB 3.3Å; R162-Q166 WeakPolarHBondContact O-CB 3.48Å; R162-Q166 PolarHBondContact O-N 2.96Å |
| 163 | D | 97.6 | Very high | 97.2 | Very high | 78 Ų | 78 | 99.8 Ų | 99.8 | 42% | 0.417 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.1 | -35.8 | -175 | -66 | -18.8 | 0 | 0 | 0 | 111.6 | G159 R160 E161 V167 | G159-D163 WeakPolarHBondContact O-CB 3.3Å; G159-D163 PolarHBondContact O-N 3.24Å; R160-D163 PolarHBondContact O-N 3.46Å; E161-D163 PolarHBondContact O-N 3.04Å; D163-V167 WeakPolarHBondContact O-CG2 3.5Å; D163-V167 PolarHBondContact O-N 3.05Å; D163-V167 VanDerWaalsContact O-N 3.1Å |
| 164 | R | 98.3 | Very high | 97 | Very high | 164 Ų | 164 | 100.4 Ų | 100.4 | 62% | 0.619 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62 | -52.2 | 169.7 | 177.8 | -177.4 | 168 | 174.6 | -2.2 | 111.9 | R160 E161 R162 Q166 V167 E168 | R160-R164 VanDerWaalsContact O-CB 3.3Å; R160-R164 WeakPolarHBondContact O-CB 3.43Å; R160-R164 PolarHBondContact O-N 3.25Å; E161-R164 PolarHBondContact O-N 3Å; R162-R164 VanDerWaalsContact C-N 3.32Å; R162-R164 PolarHBondContact O-N 3.06Å; R164-Q166 PolarHBondContact O-N 3.19Å; R164-V167 PolarHBondContact O-N 2.84Å; R164-E168 IonicContact CZ-OE1 3.18Å; R164-E168 IonicContact NE-OE1 2.68Å; R164-E168 PolarHBondContact NE-OE1 2.69Å; R164-E168 IonicContact NH2-OE1 2.96Å; R164-E168 PolarHBondContact NH2-OE1 2.84Å; R164-E168 WeakPolarHBondContact O-CG 3.34Å; R164-E168 PolarHBondContact O-N 2.95Å |
| 165 | V | 96.8 | Very high | 96.8 | Very high | 88 Ų | 88 | 100.1 Ų | 100.1 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -31.8 | -179.2 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | E161 R162 E168 R169 | E161-V165 WeakPolarHBondContact O-CB 3.37Å; E161-V165 VanDerWaalsContact O-CG2 3.32Å; E161-V165 WeakPolarHBondContact O-CG2 3.46Å; E161-V165 PolarHBondContact O-N 3.43Å; R162-V165 PolarHBondContact O-N 3.24Å; V165-E168 PolarHBondContact O-N 2.91Å; V165-R169 VanDerWaalsContact O-CB 3.23Å; V165-R169 WeakPolarHBondContact O-CB 3.46Å; V165-R169 PolarHBondContact O-N 2.9Å |
| 166 | Q | 97.7 | Very high | 96.4 | Very high | 76 Ų | 76 | 99.1 Ų | 99.1 | 36% | 0.355 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 172.9 | -178.5 | 62.7 | 37.5 | 0 | 0 | 111.4 | R162 R164 R169 D170 | R162-Q166 VanDerWaalsContact O-CB 3.3Å; R162-Q166 WeakPolarHBondContact O-CB 3.48Å; R162-Q166 PolarHBondContact O-N 2.96Å; R164-Q166 PolarHBondContact O-N 3.19Å; Q166-R169 WeakPolarHBondContact O-CB 3.4Å; Q166-R169 PolarHBondContact O-N 3.25Å; Q166-D170 VanDerWaalsContact NE2-CG 3.28Å; Q166-D170 PolarHBondContact NE2-OD1 2.66Å; Q166-D170 VanDerWaalsContact NE2-OD1 3.1Å; Q166-D170 PolarHBondContact NE2-OD2 3.44Å; Q166-D170 WeakPolarHBondContact O-CB 3.43Å; Q166-D170 PolarHBondContact O-N 3.06Å |
| 167 | V | 97.9 | Very high | 96.1 | Very high | 106 Ų | 106 | 96.7 Ų | 96.7 | 64% | 0.642 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.3 | -42.1 | 175.1 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | D163 R164 R169 D170 G171 | D163-V167 WeakPolarHBondContact O-CG2 3.5Å; D163-V167 PolarHBondContact O-N 3.05Å; D163-V167 VanDerWaalsContact O-N 3.1Å; R164-V167 PolarHBondContact O-N 2.84Å; V167-R169 VanDerWaalsContact C-N 3.34Å; V167-R169 PolarHBondContact O-N 3.08Å; V167-D170 PolarHBondContact O-N 3.2Å; V167-G171 PolarHBondContact O-N 3.05Å |
| 168 | E | 97.3 | Very high | 95.7 | Very high | 88 Ų | 88 | 94.1 Ų | 94.1 | 41% | 0.411 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 175 | -70.9 | 175.9 | 178.2 | 0 | 0 | 111.6 | R164 V165 L172 | R164-E168 IonicContact CZ-OE1 3.18Å; R164-E168 IonicContact NE-OE1 2.68Å; R164-E168 PolarHBondContact NE-OE1 2.69Å; R164-E168 IonicContact NH2-OE1 2.96Å; R164-E168 PolarHBondContact NH2-OE1 2.84Å; R164-E168 WeakPolarHBondContact O-CG 3.34Å; R164-E168 PolarHBondContact O-N 2.95Å; V165-E168 PolarHBondContact O-N 2.91Å; E168-L172 WeakPolarHBondContact O-CB 3.33Å; E168-L172 VanDerWaalsContact O-CG 3.25Å; E168-L172 WeakPolarHBondContact O-CG 3.17Å; E168-L172 PolarHBondContact O-N 3.07Å; E168-L172 VanDerWaalsContact O-N 3.14Å |
| 169 | R | 96 | Very high | 95.1 | Very high | 147 Ų | 147 | 94 Ų | 94 | 56% | 0.555 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.9 | -43.9 | 174.2 | -173.4 | -154.4 | 81.2 | 149 | 3.9 | 112.3 | V165 Q166 V167 L172 A173 | V165-R169 VanDerWaalsContact O-CB 3.23Å; V165-R169 WeakPolarHBondContact O-CB 3.46Å; V165-R169 PolarHBondContact O-N 2.9Å; Q166-R169 WeakPolarHBondContact O-CB 3.4Å; Q166-R169 PolarHBondContact O-N 3.25Å; V167-R169 VanDerWaalsContact C-N 3.34Å; V167-R169 PolarHBondContact O-N 3.08Å; R169-L172 PolarHBondContact O-N 3.03Å; R169-A173 PolarHBondContact O-N 2.91Å |
| 170 | D | 95.6 | Very high | 94.6 | Very high | 53 Ų | 53 | 99.6 Ų | 99.6 | 28% | 0.283 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73 | -40.4 | -174.5 | -67.8 | -17 | 0 | 0 | 0 | 111.2 | Q166 V167 L172 A173 E174 | Q166-D170 VanDerWaalsContact NE2-CG 3.28Å; Q166-D170 PolarHBondContact NE2-OD1 2.66Å; Q166-D170 VanDerWaalsContact NE2-OD1 3.1Å; Q166-D170 PolarHBondContact NE2-OD2 3.44Å; Q166-D170 WeakPolarHBondContact O-CB 3.43Å; Q166-D170 PolarHBondContact O-N 3.06Å; V167-D170 PolarHBondContact O-N 3.2Å; D170-L172 PolarHBondContact O-N 3.49Å; D170-A173 WeakPolarHBondContact O-CB 3.5Å; D170-A173 PolarHBondContact O-N 3.32Å; D170-A173 VanDerWaalsContact O-N 3.07Å; D170-E174 PolarHBondContact O-N 2.93Å |
| 171 | G | 95.8 | Very high | 94.1 | Very high | 31 Ų | 31 | 97.7 Ų | 97.7 | 32% | 0.32 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60 | -42.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V167 A173 E174 D175 | V167-G171 PolarHBondContact O-N 3.05Å; G171-A173 VanDerWaalsContact C-N 3.26Å; G171-A173 PolarHBondContact O-N 3.19Å; G171-E174 PolarHBondContact O-N 2.91Å; G171-D175 PolarHBondContact O-N 3.3Å |
| 172 | L | 94.3 | Very high | 93.7 | Very high | 107 Ų | 107 | 99.7 Ų | 99.7 | 56% | 0.56 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.3 | -29.2 | 173.4 | -73.9 | 171.6 | 0 | 0 | 0 | 113 | E168 R169 D170 L176 | E168-L172 WeakPolarHBondContact O-CB 3.33Å; E168-L172 VanDerWaalsContact O-CG 3.25Å; E168-L172 WeakPolarHBondContact O-CG 3.17Å; E168-L172 PolarHBondContact O-N 3.07Å; E168-L172 VanDerWaalsContact O-N 3.14Å; R169-L172 PolarHBondContact O-N 3.03Å; D170-L172 PolarHBondContact O-N 3.49Å; L172-L176 VanDerWaalsContact O-CB 3.32Å; L172-L176 WeakPolarHBondContact O-CB 3.45Å; L172-L176 WeakPolarHBondContact O-CD1 3.46Å; L172-L176 WeakPolarHBondContact O-CG 3.25Å; L172-L176 PolarHBondContact O-N 3.36Å |
| 173 | A | 92 | Very high | 93.2 | Very high | 53 Ų | 53 | 98 Ų | 98 | 44% | 0.438 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.5 | -38.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R169 D170 G171 L176 A177 | R169-A173 PolarHBondContact O-N 2.91Å; D170-A173 WeakPolarHBondContact O-CB 3.5Å; D170-A173 PolarHBondContact O-N 3.32Å; D170-A173 VanDerWaalsContact O-N 3.07Å; G171-A173 VanDerWaalsContact C-N 3.26Å; G171-A173 PolarHBondContact O-N 3.19Å; A173-L176 PolarHBondContact O-N 3.08Å; A173-A177 WeakPolarHBondContact O-CB 3.37Å; A173-A177 PolarHBondContact O-N 3.11Å |
| 174 | E | 95.3 | Very high | 92.7 | Very high | 149 Ų | 149 | 98.6 Ų | 98.6 | 70% | 0.696 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.3 | -46.9 | 172.4 | -69.6 | -179.4 | -178.6 | 0 | 0 | 111.7 | D170 G171 L176 A177 A178 | D170-E174 PolarHBondContact O-N 2.93Å; G171-E174 PolarHBondContact O-N 2.91Å; E174-L176 VanDerWaalsContact C-N 3.35Å; E174-L176 PolarHBondContact O-N 3.32Å; E174-A177 WeakPolarHBondContact O-CB 3.46Å; E174-A177 PolarHBondContact O-N 3.31Å; E174-A177 VanDerWaalsContact O-N 3.12Å; E174-A178 PolarHBondContact O-N 3.47Å |
| 175 | D | 93.2 | Very high | 92.2 | Very high | 103 Ų | 103 | 94.2 Ų | 94.2 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.5 | -44.4 | 174.5 | -88.6 | -29.5 | 0 | 0 | 0 | 111.8 | G171 A177 A178 L179 | G171-D175 PolarHBondContact O-N 3.3Å; D175-A177 VanDerWaalsContact C-N 3.31Å; D175-A177 PolarHBondContact O-N 2.92Å; D175-A178 PolarHBondContact O-N 2.89Å; D175-L179 WeakPolarHBondContact O-CB 3.41Å; D175-L179 VanDerWaalsContact O-CG 3.28Å; D175-L179 WeakPolarHBondContact O-CG 3.37Å; D175-L179 PolarHBondContact O-N 3.24Å |
| 176 | L | 90.3 | Very high | 91.7 | Very high | 100 Ų | 100 | 95.1 Ų | 95.1 | 52% | 0.524 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.5 | -31.5 | 176.2 | -76.7 | 170.8 | 0 | 0 | 0 | 112.9 | L172 A173 E174 K180 | L172-L176 VanDerWaalsContact O-CB 3.32Å; L172-L176 WeakPolarHBondContact O-CB 3.45Å; L172-L176 WeakPolarHBondContact O-CD1 3.46Å; L172-L176 WeakPolarHBondContact O-CG 3.25Å; L172-L176 PolarHBondContact O-N 3.36Å; A173-L176 PolarHBondContact O-N 3.08Å; E174-L176 VanDerWaalsContact C-N 3.35Å; E174-L176 PolarHBondContact O-N 3.32Å; L176-K180 WeakPolarHBondContact O-CD 3.46Å; L176-K180 VanDerWaalsContact O-CG 3.23Å; L176-K180 WeakPolarHBondContact O-CG 3.27Å; L176-K180 PolarHBondContact O-N 2.87Å; L176-K180 VanDerWaalsContact O-N 3.16Å |
| 177 | A | 90.1 | Very high | 90.8 | Very high | 55 Ų | 55 | 94 Ų | 94 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.7 | -46.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A173 E174 D175 L179 K180 Q181 | A173-A177 WeakPolarHBondContact O-CB 3.37Å; A173-A177 PolarHBondContact O-N 3.11Å; E174-A177 WeakPolarHBondContact O-CB 3.46Å; E174-A177 PolarHBondContact O-N 3.31Å; E174-A177 VanDerWaalsContact O-N 3.12Å; D175-A177 VanDerWaalsContact C-N 3.31Å; D175-A177 PolarHBondContact O-N 2.92Å; A177-L179 VanDerWaalsContact C-N 3.34Å; A177-L179 PolarHBondContact O-N 3.05Å; A177-K180 PolarHBondContact O-N 2.86Å; A177-Q181 PolarHBondContact O-N 2.92Å |
| 178 | A | 89.9 | Confident | 89.9 | Confident | 35 Ų | 35 | 94.9 Ų | 94.9 | 29% | 0.289 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.6 | -38.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E174 D175 R182 | E174-A178 PolarHBondContact O-N 3.47Å; D175-A178 PolarHBondContact O-N 2.89Å; A178-R182 VanDerWaalsContact O-CG 3.31Å; A178-R182 WeakPolarHBondContact O-CG 3.17Å; A178-R182 PolarHBondContact O-N 2.63Å |
| 179 | L | 85.7 | Confident | 89.2 | Confident | 101 Ų | 101 | 95.5 Ų | 95.5 | 53% | 0.529 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.1 | -37.7 | 174.6 | -73 | 172 | 0 | 0 | 0 | 112.6 | D175 A177 L183 | D175-L179 WeakPolarHBondContact O-CB 3.41Å; D175-L179 VanDerWaalsContact O-CG 3.28Å; D175-L179 WeakPolarHBondContact O-CG 3.37Å; D175-L179 PolarHBondContact O-N 3.24Å; A177-L179 VanDerWaalsContact C-N 3.34Å; A177-L179 PolarHBondContact O-N 3.05Å; L179-L183 WeakPolarHBondContact O-CB 3.4Å; L179-L183 PolarHBondContact O-N 3.47Å |
| 180 | K | 87.9 | Confident | 88.9 | Confident | 131 Ų | 131 | 94.3 Ų | 94.3 | 57% | 0.57 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.2 | -46.8 | 172.8 | -76 | 167.7 | -176.5 | 174.7 | 0 | 111.8 | L176 A177 R182 L183 E184 | L176-K180 WeakPolarHBondContact O-CD 3.46Å; L176-K180 VanDerWaalsContact O-CG 3.23Å; L176-K180 WeakPolarHBondContact O-CG 3.27Å; L176-K180 PolarHBondContact O-N 2.87Å; L176-K180 VanDerWaalsContact O-N 3.16Å; A177-K180 PolarHBondContact O-N 2.86Å; K180-R182 VanDerWaalsContact C-N 3.34Å; K180-R182 PolarHBondContact O-N 3.03Å; K180-L183 WeakPolarHBondContact O-CB 3.47Å; K180-L183 PolarHBondContact O-N 2.96Å; K180-L183 VanDerWaalsContact O-N 3.13Å; K180-E184 PolarHBondContact O-N 3.37Å |
| 181 | Q | 88.6 | Confident | 88.3 | Confident | 113 Ų | 113 | 96.8 Ų | 96.8 | 53% | 0.528 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.3 | -46.9 | 177.2 | -175.8 | -173 | -28.2 | 0 | 0 | 111.2 | A177 L183 E184 E185 | A177-Q181 PolarHBondContact O-N 2.92Å; Q181-L183 VanDerWaalsContact C-N 3.32Å; Q181-L183 PolarHBondContact O-N 2.69Å; Q181-E184 PolarHBondContact O-N 2.89Å; Q181-E185 WeakPolarHBondContact CG-OE1 3.49Å; Q181-E185 PolarHBondContact NE2-OE1 3.39Å; Q181-E185 WeakPolarHBondContact O-CG 3.27Å; Q181-E185 PolarHBondContact O-N 3.06Å |
| 182 | R | 89.6 | Confident | 87.9 | Confident | 159 Ų | 159 | 100.1 Ų | 100.1 | 60% | 0.6 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.6 | -39.7 | 175.8 | -72.5 | 172.6 | -175.4 | 164.9 | 5.7 | 112.3 | A178 K180 E185 E186 | A178-R182 VanDerWaalsContact O-CG 3.31Å; A178-R182 WeakPolarHBondContact O-CG 3.17Å; A178-R182 PolarHBondContact O-N 2.63Å; K180-R182 VanDerWaalsContact C-N 3.34Å; K180-R182 PolarHBondContact O-N 3.03Å; R182-E185 PolarHBondContact O-N 3.28Å; R182-E186 WeakPolarHBondContact O-CG 3.35Å; R182-E186 PolarHBondContact O-N 3.39Å |
| 183 | L | 86.9 | Confident | 87.3 | Confident | 121 Ų | 121 | 97.6 Ų | 97.6 | 63% | 0.634 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.4 | -45 | 175.3 | -177.8 | 64.6 | 0 | 0 | 0 | 111.5 | L179 K180 Q181 E186 T187 | L179-L183 WeakPolarHBondContact O-CB 3.4Å; L179-L183 PolarHBondContact O-N 3.47Å; K180-L183 WeakPolarHBondContact O-CB 3.47Å; K180-L183 PolarHBondContact O-N 2.96Å; K180-L183 VanDerWaalsContact O-N 3.13Å; Q181-L183 VanDerWaalsContact C-N 3.32Å; Q181-L183 PolarHBondContact O-N 2.69Å; L183-E186 PolarHBondContact O-N 3.26Å; L183-T187 WeakPolarHBondContact O-CG2 3.43Å; L183-T187 PolarHBondContact O-N 2.93Å; L183-T187 PolarHBondContact O-OG1 2.82Å |
| 184 | E | 86.7 | Confident | 87.2 | Confident | 91 Ų | 91 | 99.6 Ų | 99.6 | 43% | 0.425 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 176 | -71.4 | 178.7 | -149.2 | 0 | 0 | 113.1 | K180 Q181 T187 R188 | K180-E184 PolarHBondContact O-N 3.37Å; Q181-E184 PolarHBondContact O-N 2.89Å; E184-T187 WeakPolarHBondContact CA-OG1 3.22Å; E184-T187 PolarHBondContact O-OG1 2.94Å; E184-T187 VanDerWaalsContact O-OG1 3.04Å; E184-R188 WeakPolarHBondContact O-CB 3.31Å; E184-R188 WeakPolarHBondContact O-CD 3.42Å; E184-R188 WeakPolarHBondContact O-CG 3.29Å; E184-R188 PolarHBondContact O-N 3.48Å; E184-R188 VanDerWaalsContact O-N 3.07Å; E184-R188 IonicContact OE2-CZ 3.05Å; E184-R188 IonicContact OE2-NH1 3.86Å; E184-R188 IonicContact OE2-NH2 3.21Å; E184-R188 PolarHBondContact OE2-NH2 2.89Å |
| 185 | E | 88 | Confident | 86.8 | Confident | 71 Ų | 71 | 98.1 Ų | 98.1 | 33% | 0.332 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 174.6 | -74.1 | 173.1 | -163.8 | 0 | 0 | 111.7 | Q181 R182 K189 | Q181-E185 WeakPolarHBondContact CG-OE1 3.49Å; Q181-E185 PolarHBondContact NE2-OE1 3.39Å; Q181-E185 WeakPolarHBondContact O-CG 3.27Å; Q181-E185 PolarHBondContact O-N 3.06Å; R182-E185 PolarHBondContact O-N 3.28Å; E185-K189 WeakPolarHBondContact O-CD 3.45Å; E185-K189 VanDerWaalsContact O-CG 3.23Å; E185-K189 WeakPolarHBondContact O-CG 3.29Å; E185-K189 PolarHBondContact O-N 3.04Å; E185-K189 VanDerWaalsContact O-N 3.08Å |
| 186 | E | 86.3 | Confident | 86.7 | Confident | 108 Ų | 108 | 96.8 Ų | 96.8 | 51% | 0.505 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -71.3 | -35.2 | 175.3 | -67.5 | -52.6 | 131.4 | 0 | 0 | 112.8 | R182 L183 K189 R190 | R182-E186 WeakPolarHBondContact O-CG 3.35Å; R182-E186 PolarHBondContact O-N 3.39Å; L183-E186 PolarHBondContact O-N 3.26Å; E186-K189 PolarHBondContact O-N 2.76Å; E186-K189 IonicContact OE1-NZ 2.69Å; E186-K189 PolarHBondContact OE1-NZ 2.95Å; E186-R190 VanDerWaalsContact O-CB 3.25Å; E186-R190 WeakPolarHBondContact O-CB 3.32Å; E186-R190 PolarHBondContact O-N 2.92Å |
| 187 | T | 78.9 | Confident | 86.7 | Confident | 52 Ų | 52 | 96.9 Ų | 96.9 | 32% | 0.319 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 173.8 | 53.1 | 0 | 0 | 0 | 0 | 111.7 | L183 E184 R190 E191 | L183-T187 WeakPolarHBondContact O-CG2 3.43Å; L183-T187 PolarHBondContact O-N 2.93Å; L183-T187 PolarHBondContact O-OG1 2.82Å; E184-T187 WeakPolarHBondContact CA-OG1 3.22Å; E184-T187 PolarHBondContact O-OG1 2.94Å; E184-T187 VanDerWaalsContact O-OG1 3.04Å; T187-R190 WeakPolarHBondContact O-CB 3.48Å; T187-R190 PolarHBondContact O-N 3.21Å; T187-E191 WeakPolarHBondContact O-CB 3.41Å; T187-E191 VanDerWaalsContact O-CG 3.29Å; T187-E191 WeakPolarHBondContact O-CG 3.46Å; T187-E191 PolarHBondContact O-N 2.99Å |
| 188 | R | 79.6 | Confident | 86.8 | Confident | 124 Ų | 124 | 98.8 Ų | 98.8 | 47% | 0.468 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.3 | -50.4 | 174.1 | -71.2 | 166.5 | -168.7 | 133.7 | 12.5 | 111.4 | E184 R190 E191 D192 | E184-R188 WeakPolarHBondContact O-CB 3.31Å; E184-R188 WeakPolarHBondContact O-CD 3.42Å; E184-R188 WeakPolarHBondContact O-CG 3.29Å; E184-R188 PolarHBondContact O-N 3.48Å; E184-R188 VanDerWaalsContact O-N 3.07Å; E184-R188 IonicContact OE2-CZ 3.05Å; E184-R188 IonicContact OE2-NH1 3.86Å; E184-R188 IonicContact OE2-NH2 3.21Å; E184-R188 PolarHBondContact OE2-NH2 2.89Å; R188-R190 PolarHBondContact O-N 3.37Å; R188-E191 PolarHBondContact O-N 3.48Å; R188-E191 VanDerWaalsContact O-N 3.12Å; R188-D192 PolarHBondContact O-N 2.98Å |
| 189 | K | 83.2 | Confident | 86.9 | Confident | 101 Ų | 101 | 100.6 Ų | 100.6 | 44% | 0.439 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.3 | -37.7 | 175.6 | -68.5 | 165 | -157.8 | 170.2 | 0 | 112.5 | E185 E186 A193 | E185-K189 WeakPolarHBondContact O-CD 3.45Å; E185-K189 VanDerWaalsContact O-CG 3.23Å; E185-K189 WeakPolarHBondContact O-CG 3.29Å; E185-K189 PolarHBondContact O-N 3.04Å; E185-K189 VanDerWaalsContact O-N 3.08Å; E186-K189 PolarHBondContact O-N 2.76Å; E186-K189 IonicContact OE1-NZ 2.69Å; E186-K189 PolarHBondContact OE1-NZ 2.95Å; K189-A193 VanDerWaalsContact O-CB 3.27Å; K189-A193 WeakPolarHBondContact O-CB 3.49Å; K189-A193 PolarHBondContact O-N 3.29Å |
| 190 | R | 88.6 | Confident | 87.4 | Confident | 123 Ų | 123 | 101.8 Ų | 101.8 | 46% | 0.464 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 177.6 | -166 | -160 | 76.7 | 73.9 | 20.9 | 111.6 | E186 T187 R188 A193 E194 | E186-R190 VanDerWaalsContact O-CB 3.25Å; E186-R190 WeakPolarHBondContact O-CB 3.32Å; E186-R190 PolarHBondContact O-N 2.92Å; T187-R190 WeakPolarHBondContact O-CB 3.48Å; T187-R190 PolarHBondContact O-N 3.21Å; R188-R190 PolarHBondContact O-N 3.37Å; R190-A193 PolarHBondContact O-N 2.71Å; R190-E194 IonicContact CZ-OE1 3.19Å; R190-E194 IonicContact CZ-OE2 3.38Å; R190-E194 IonicContact NH1-OE1 3.6Å; R190-E194 PolarHBondContact NH1-OE1 2.71Å; R190-E194 IonicContact NH1-OE2 2.74Å; R190-E194 PolarHBondContact NH1-OE2 3.15Å; R190-E194 IonicContact NH2-OE1 2.69Å; R190-E194 IonicContact NH2-OE2 3.59Å; R190-E194 PolarHBondContact NH2-OE2 3.36Å; R190-E194 WeakPolarHBondContact O-CB 3.44Å; R190-E194 WeakPolarHBondContact O-CG 3.38Å; R190-E194 PolarHBondContact O-N 3.22Å |
| 191 | E | 84.2 | Confident | 87.8 | Confident | 105 Ų | 105 | 103.7 Ų | 103.7 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 175.6 | -73.5 | 157.2 | -168.5 | 0 | 0 | 111.5 | T187 R188 A193 E194 H195 | T187-E191 WeakPolarHBondContact O-CB 3.41Å; T187-E191 VanDerWaalsContact O-CG 3.29Å; T187-E191 WeakPolarHBondContact O-CG 3.46Å; T187-E191 PolarHBondContact O-N 2.99Å; R188-E191 PolarHBondContact O-N 3.48Å; R188-E191 VanDerWaalsContact O-N 3.12Å; E191-A193 VanDerWaalsContact C-N 3.34Å; E191-A193 PolarHBondContact O-N 2.72Å; E191-E194 PolarHBondContact O-N 2.84Å; E191-H195 WeakPolarHBondContact O-CB 3.26Å; E191-H195 PolarHBondContact O-N 2.98Å |
| 192 | D | 86 | Confident | 88.1 | Confident | 101 Ų | 101 | 103.7 Ų | 103.7 | 54% | 0.54 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 172 | -69.2 | -35.2 | 0 | 0 | 0 | 111.1 | R188 H195 N196 | R188-D192 PolarHBondContact O-N 2.98Å; D192-H195 PolarHBondContact O-N 3.4Å; D192-N196 WeakPolarHBondContact O-CB 3.5Å; D192-N196 PolarHBondContact O-N 3Å; D192-N196 PolarHBondContact O-ND2 2.87Å |
| 193 | A | 82.1 | Confident | 88.5 | Confident | 53 Ų | 53 | 100.3 Ų | 100.3 | 44% | 0.438 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K189 R190 E191 L197 | K189-A193 VanDerWaalsContact O-CB 3.27Å; K189-A193 WeakPolarHBondContact O-CB 3.49Å; K189-A193 PolarHBondContact O-N 3.29Å; R190-A193 PolarHBondContact O-N 2.71Å; E191-A193 VanDerWaalsContact C-N 3.34Å; E191-A193 PolarHBondContact O-N 2.72Å; A193-L197 WeakPolarHBondContact O-CB 3.34Å; A193-L197 PolarHBondContact O-N 3.21Å |
| 194 | E | 89.3 | Confident | 89 | Confident | 96 Ų | 96 | 98.8 Ų | 98.8 | 45% | 0.449 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 173.4 | -78.8 | -175.4 | 155.4 | 0 | 0 | 112.1 | R190 E191 L197 V198 | R190-E194 IonicContact CZ-OE1 3.19Å; R190-E194 IonicContact CZ-OE2 3.38Å; R190-E194 IonicContact NH1-OE1 3.6Å; R190-E194 PolarHBondContact NH1-OE1 2.71Å; R190-E194 IonicContact NH1-OE2 2.74Å; R190-E194 PolarHBondContact NH1-OE2 3.15Å; R190-E194 IonicContact NH2-OE1 2.69Å; R190-E194 IonicContact NH2-OE2 3.59Å; R190-E194 PolarHBondContact NH2-OE2 3.36Å; R190-E194 WeakPolarHBondContact O-CB 3.44Å; R190-E194 WeakPolarHBondContact O-CG 3.38Å; R190-E194 PolarHBondContact O-N 3.22Å; E191-E194 PolarHBondContact O-N 2.84Å; E194-L197 WeakPolarHBondContact O-CB 3.46Å; E194-L197 PolarHBondContact O-N 2.61Å; E194-V198 WeakPolarHBondContact O-CG2 3.41Å; E194-V198 PolarHBondContact O-N 3.3Å |
| 195 | H | 88.9 | Confident | 89.5 | Confident | 118 Ų | 118 | 98.9 Ų | 98.9 | 55% | 0.546 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61 | -48.6 | 175.3 | -174.3 | 71.9 | 0 | 0 | 0 | 111.3 | E191 D192 L197 V198 L199 | E191-H195 WeakPolarHBondContact O-CB 3.26Å; E191-H195 PolarHBondContact O-N 2.98Å; D192-H195 PolarHBondContact O-N 3.4Å; H195-L197 VanDerWaalsContact C-N 3.31Å; H195-L197 PolarHBondContact O-N 3.4Å; H195-V198 PolarHBondContact O-N 2.86Å; H195-V198 VanDerWaalsContact O-N 3.1Å; H195-L199 WeakPolarHBondContact O-CG 3.41Å; H195-L199 PolarHBondContact O-N 3.15Å |
| 196 | N | 89.2 | Confident | 90 | Very high | 74 Ų | 74 | 99 Ų | 99 | 40% | 0.396 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.1 | -36.7 | 175.2 | -74.4 | -63 | 0 | 0 | 0 | 112.4 | D192 V198 L199 F200 | D192-N196 WeakPolarHBondContact O-CB 3.5Å; D192-N196 PolarHBondContact O-N 3Å; D192-N196 PolarHBondContact O-ND2 2.87Å; N196-V198 VanDerWaalsContact C-N 3.34Å; N196-V198 PolarHBondContact O-N 2.89Å; N196-L199 PolarHBondContact O-N 3.45Å; N196-F200 HydrophobicContact CB-CE2 4.21Å; N196-F200 WeakPolarHBondContact O-CD2 3.32Å; N196-F200 WeakPolarHBondContact O-CG 3.45Å; N196-F200 PolarHBondContact O-N 3.05Å |
| 197 | L | 90.4 | Very high | 90.5 | Very high | 103 Ų | 103 | 96.4 Ų | 96.4 | 54% | 0.539 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.8 | -34.2 | 173.3 | -96.2 | 170.4 | 0 | 0 | 0 | 113.4 | A193 E194 H195 R201 | A193-L197 WeakPolarHBondContact O-CB 3.34Å; A193-L197 PolarHBondContact O-N 3.21Å; E194-L197 WeakPolarHBondContact O-CB 3.46Å; E194-L197 PolarHBondContact O-N 2.61Å; H195-L197 VanDerWaalsContact C-N 3.31Å; H195-L197 PolarHBondContact O-N 3.4Å; L197-R201 VanDerWaalsContact O-CG 3.29Å; L197-R201 WeakPolarHBondContact O-CG 3.48Å; L197-R201 PolarHBondContact O-N 3.17Å; L197-R201 VanDerWaalsContact O-N 3.12Å |
| 198 | V | 93.1 | Very high | 91.4 | Very high | 95 Ų | 95 | 96.4 Ų | 96.4 | 58% | 0.576 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -70.6 | -41 | 174.1 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | E194 H195 N196 R201 K202 | E194-V198 WeakPolarHBondContact O-CG2 3.41Å; E194-V198 PolarHBondContact O-N 3.3Å; H195-V198 PolarHBondContact O-N 2.86Å; H195-V198 VanDerWaalsContact O-N 3.1Å; N196-V198 VanDerWaalsContact C-N 3.34Å; N196-V198 PolarHBondContact O-N 2.89Å; V198-R201 PolarHBondContact O-N 3.34Å; V198-K202 PolarHBondContact O-N 3.42Å; V198-K202 VanDerWaalsContact O-N 3.15Å |
| 199 | L | 92.6 | Very high | 92.3 | Very high | 73 Ų | 73 | 95 Ų | 95 | 38% | 0.382 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.9 | -53.1 | 173.7 | -65.7 | 177.8 | 0 | 0 | 0 | 111.3 | H195 N196 R201 K202 D203 | H195-L199 WeakPolarHBondContact O-CG 3.41Å; H195-L199 PolarHBondContact O-N 3.15Å; N196-L199 PolarHBondContact O-N 3.45Å; L199-R201 PolarHBondContact O-N 2.86Å; L199-K202 WeakPolarHBondContact O-CA 3.45Å; L199-K202 WeakPolarHBondContact O-CB 3.39Å; L199-K202 PolarHBondContact O-N 2.85Å; L199-D203 PolarHBondContact O-N 3.25Å |
| 200 | F | 94.9 | Very high | 93 | Very high | 126 Ų | 126 | 93 Ų | 93 | 55% | 0.553 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.4 | -28.3 | 179.4 | -65.2 | -40.5 | 0 | 0 | 0 | 113.7 | N196 V204 | N196-F200 HydrophobicContact CB-CE2 4.21Å; N196-F200 WeakPolarHBondContact O-CD2 3.32Å; N196-F200 WeakPolarHBondContact O-CG 3.45Å; N196-F200 PolarHBondContact O-N 3.05Å; F200-V204 WeakPolarHBondContact O-CB 3.38Å; F200-V204 VanDerWaalsContact O-CG2 3.28Å; F200-V204 WeakPolarHBondContact O-CG2 3.48Å; F200-V204 PolarHBondContact O-N 3.38Å |
| 201 | R | 96.1 | Very high | 93.4 | Very high | 171 Ų | 171 | 93 Ų | 93 | 65% | 0.645 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.1 | -48.1 | 169.9 | -80.6 | 174.5 | 179.9 | -177.6 | 2.1 | 111.4 | L197 V198 L199 D203 V204 D205 | L197-R201 VanDerWaalsContact O-CG 3.29Å; L197-R201 WeakPolarHBondContact O-CG 3.48Å; L197-R201 PolarHBondContact O-N 3.17Å; L197-R201 VanDerWaalsContact O-N 3.12Å; V198-R201 PolarHBondContact O-N 3.34Å; L199-R201 PolarHBondContact O-N 2.86Å; R201-D203 VanDerWaalsContact C-N 3.33Å; R201-D203 PolarHBondContact O-N 2.82Å; R201-V204 PolarHBondContact O-N 3.38Å; R201-D205 VanDerWaalsContact O-CG 3.29Å; R201-D205 PolarHBondContact O-N 2.99Å |
| 202 | K | 96.5 | Very high | 94.1 | Very high | 113 Ų | 113 | 91.4 Ų | 91.4 | 49% | 0.491 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 175.1 | -176 | -173.7 | 174.9 | -72.2 | 0 | 111.5 | V198 L199 V204 D205 D206 | V198-K202 PolarHBondContact O-N 3.42Å; V198-K202 VanDerWaalsContact O-N 3.15Å; L199-K202 WeakPolarHBondContact O-CA 3.45Å; L199-K202 WeakPolarHBondContact O-CB 3.39Å; L199-K202 PolarHBondContact O-N 2.85Å; K202-V204 VanDerWaalsContact C-N 3.28Å; K202-V204 PolarHBondContact O-N 3.2Å; K202-D205 PolarHBondContact O-N 3.2Å; K202-D206 IonicContact NZ-OD2 2.73Å; K202-D206 PolarHBondContact NZ-OD2 3.39Å; K202-D206 WeakPolarHBondContact O-CB 3.31Å; K202-D206 PolarHBondContact O-N 3.41Å |
| 203 | D | 96.8 | Very high | 94.7 | Very high | 87 Ų | 87 | 93 Ų | 93 | 47% | 0.465 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.1 | -37 | 178.1 | -61.4 | -27.2 | 0 | 0 | 0 | 111.7 | L199 R201 A207 | L199-D203 PolarHBondContact O-N 3.25Å; R201-D203 VanDerWaalsContact C-N 3.33Å; R201-D203 PolarHBondContact O-N 2.82Å; D203-A207 WeakPolarHBondContact O-CB 3.39Å; D203-A207 PolarHBondContact O-N 3.02Å |
| 204 | V | 98.1 | Very high | 95.4 | Very high | 89 Ų | 89 | 96 Ų | 96 | 54% | 0.539 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68 | -45.2 | 172.2 | 166.4 | 0 | 0 | 0 | 0 | 111.3 | F200 R201 K202 A207 T208 | F200-V204 WeakPolarHBondContact O-CB 3.38Å; F200-V204 VanDerWaalsContact O-CG2 3.28Å; F200-V204 WeakPolarHBondContact O-CG2 3.48Å; F200-V204 PolarHBondContact O-N 3.38Å; R201-V204 PolarHBondContact O-N 3.38Å; K202-V204 VanDerWaalsContact C-N 3.28Å; K202-V204 PolarHBondContact O-N 3.2Å; V204-A207 CarbonylContact O-C 3.53Å; V204-A207 WeakPolarHBondContact O-CB 3.35Å; V204-A207 PolarHBondContact O-N 3.3Å; V204-T208 HydrophobicContact CG1-CG2 4.38Å; V204-T208 VanDerWaalsContact O-CG2 3.24Å; V204-T208 WeakPolarHBondContact O-CG2 3.39Å; V204-T208 PolarHBondContact O-N 2.97Å |
| 205 | D | 97.6 | Very high | 95.9 | Very high | 94 Ų | 94 | 94.8 Ų | 94.8 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.6 | -50 | 178.9 | -68.2 | -31.9 | 0 | 0 | 0 | 110.8 | R201 K202 A207 T208 L209 | R201-D205 VanDerWaalsContact O-CG 3.29Å; R201-D205 PolarHBondContact O-N 2.99Å; K202-D205 PolarHBondContact O-N 3.2Å; D205-A207 VanDerWaalsContact C-N 3.3Å; D205-A207 PolarHBondContact O-N 3.4Å; D205-T208 PolarHBondContact O-N 3.21Å; D205-T208 PolarHBondContact O-OG1 2.96Å; D205-L209 WeakPolarHBondContact O-CG 3.49Å; D205-L209 PolarHBondContact O-N 3.46Å |
| 206 | D | 97.4 | Very high | 96.3 | Very high | 74 Ų | 74 | 97.4 Ų | 97.4 | 40% | 0.396 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.9 | -40.8 | 174.1 | -72.6 | -15.6 | 0 | 0 | 0 | 111.4 | K202 L209 S210 | K202-D206 IonicContact NZ-OD2 2.73Å; K202-D206 PolarHBondContact NZ-OD2 3.39Å; K202-D206 WeakPolarHBondContact O-CB 3.31Å; K202-D206 PolarHBondContact O-N 3.41Å; D206-L209 PolarHBondContact O-N 2.91Å; D206-S210 PolarHBondContact O-N 3.28Å; D206-S210 PolarHBondContact O-OG 2.97Å |
| 207 | A | 97.1 | Very high | 96.7 | Very high | 53 Ų | 53 | 100.3 Ų | 100.3 | 44% | 0.438 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D203 V204 D205 S210 R211 | D203-A207 WeakPolarHBondContact O-CB 3.39Å; D203-A207 PolarHBondContact O-N 3.02Å; V204-A207 CarbonylContact O-C 3.53Å; V204-A207 WeakPolarHBondContact O-CB 3.35Å; V204-A207 PolarHBondContact O-N 3.3Å; D205-A207 VanDerWaalsContact C-N 3.3Å; D205-A207 PolarHBondContact O-N 3.4Å; A207-S210 PolarHBondContact O-N 3.48Å; A207-S210 PolarHBondContact O-OG 3.1Å; A207-R211 WeakPolarHBondContact O-CB 3.24Å; A207-R211 PolarHBondContact O-N 3Å |
| 208 | T | 98.2 | Very high | 97.1 | Very high | 51 Ų | 51 | 100.2 Ų | 100.2 | 31% | 0.313 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.6 | -36.4 | 175.5 | 70.1 | 0 | 0 | 0 | 0 | 112.5 | V204 D205 R211 L212 | V204-T208 HydrophobicContact CG1-CG2 4.38Å; V204-T208 VanDerWaalsContact O-CG2 3.24Å; V204-T208 WeakPolarHBondContact O-CG2 3.39Å; V204-T208 PolarHBondContact O-N 2.97Å; D205-T208 PolarHBondContact O-N 3.21Å; D205-T208 PolarHBondContact O-OG1 2.96Å; T208-R211 WeakPolarHBondContact O-CB 3.35Å; T208-R211 PolarHBondContact O-N 2.89Å; T208-L212 VanDerWaalsContact O-CG 3.3Å; T208-L212 WeakPolarHBondContact O-CG 3.47Å; T208-L212 PolarHBondContact O-N 2.97Å |
| 209 | L | 97.9 | Very high | 97.4 | Very high | 96 Ų | 96 | 101.1 Ų | 101.1 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.5 | -50.2 | 174.1 | -68.9 | 174.5 | 0 | 0 | 0 | 110.8 | D205 D206 R211 L212 E213 | D205-L209 WeakPolarHBondContact O-CG 3.49Å; D205-L209 PolarHBondContact O-N 3.46Å; D206-L209 PolarHBondContact O-N 2.91Å; L209-R211 VanDerWaalsContact C-N 3.27Å; L209-R211 PolarHBondContact O-N 3.15Å; L209-L212 PolarHBondContact O-N 3.34Å; L209-L212 VanDerWaalsContact O-N 3.11Å; L209-E213 WeakPolarHBondContact O-CG 3.36Å; L209-E213 PolarHBondContact O-N 2.98Å |
| 210 | S | 97.8 | Very high | 97.6 | Very high | 58 Ų | 58 | 100.6 Ų | 100.6 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -33 | 177.2 | 67.8 | 0 | 0 | 0 | 0 | 113 | D206 A207 L214 | D206-S210 PolarHBondContact O-N 3.28Å; D206-S210 PolarHBondContact O-OG 2.97Å; A207-S210 PolarHBondContact O-N 3.48Å; A207-S210 PolarHBondContact O-OG 3.1Å; S210-L214 VanDerWaalsContact O-CG 3.31Å; S210-L214 WeakPolarHBondContact O-CG 3.3Å; S210-L214 PolarHBondContact O-N 3.25Å; S210-L214 VanDerWaalsContact O-N 3.08Å |
| 211 | R | 98.4 | Very high | 97.8 | Very high | 123 Ų | 123 | 99.1 Ų | 99.1 | 46% | 0.464 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63 | -47.7 | 171.7 | -157.4 | -158.6 | 85.9 | -122.8 | -8.3 | 111.7 | A207 T208 L209 E213 L214 E215 | A207-R211 WeakPolarHBondContact O-CB 3.24Å; A207-R211 PolarHBondContact O-N 3Å; T208-R211 WeakPolarHBondContact O-CB 3.35Å; T208-R211 PolarHBondContact O-N 2.89Å; L209-R211 VanDerWaalsContact C-N 3.27Å; L209-R211 PolarHBondContact O-N 3.15Å; R211-E213 VanDerWaalsContact C-N 3.33Å; R211-E213 PolarHBondContact O-N 2.96Å; R211-L214 PolarHBondContact O-N 3.12Å; R211-E215 IonicContact CZ-OE1 2.74Å; R211-E215 IonicContact CZ-OE2 2.64Å; R211-E215 VanDerWaalsContact NE-CD 3.29Å; R211-E215 IonicContact NE-OE1 3.88Å; R211-E215 PolarHBondContact NE-OE1 2.89Å; R211-E215 IonicContact NE-OE2 3.18Å; R211-E215 PolarHBondContact NE-OE2 3.04Å; R211-E215 IonicContact NH2-OE1 3.88Å; R211-E215 PolarHBondContact NH2-OE1 3.34Å; R211-E215 IonicContact NH2-OE2 2.74Å; R211-E215 PolarHBondContact NH2-OE2 3.21Å; R211-E215 WeakPolarHBondContact O-CG 3.48Å; R211-E215 PolarHBondContact O-N 3.09Å |
| 212 | L | 98.4 | Very high | 97.9 | Very high | 71 Ų | 71 | 96.3 Ų | 96.3 | 37% | 0.372 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.8 | -34 | 179.3 | -71.7 | 164 | 0 | 0 | 0 | 112.5 | T208 L209 R216 | T208-L212 VanDerWaalsContact O-CG 3.3Å; T208-L212 WeakPolarHBondContact O-CG 3.47Å; T208-L212 PolarHBondContact O-N 2.97Å; L209-L212 PolarHBondContact O-N 3.34Å; L209-L212 VanDerWaalsContact O-N 3.11Å; L212-R216 WeakPolarHBondContact O-CB 3.46Å; L212-R216 WeakPolarHBondContact O-CG 3.28Å; L212-R216 PolarHBondContact O-N 3.49Å |
| 213 | E | 98.1 | Very high | 97.9 | Very high | 136 Ų | 136 | 96.2 Ų | 96.2 | 64% | 0.636 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.6 | -41.2 | 172.8 | -72.5 | 179.9 | 176.3 | 0 | 0 | 112.1 | L209 R211 K217 | L209-E213 WeakPolarHBondContact O-CG 3.36Å; L209-E213 PolarHBondContact O-N 2.98Å; R211-E213 VanDerWaalsContact C-N 3.33Å; R211-E213 PolarHBondContact O-N 2.96Å; E213-K217 WeakPolarHBondContact O-CB 3.49Å; E213-K217 PolarHBondContact O-N 3.38Å |
| 214 | L | 97.8 | Very high | 98 | Very high | 114 Ų | 114 | 96.7 Ų | 96.7 | 60% | 0.597 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -69.4 | -38.9 | 175.3 | -70.8 | 171.3 | 0 | 0 | 0 | 112.3 | S210 R211 K217 I218 | S210-L214 VanDerWaalsContact O-CG 3.31Å; S210-L214 WeakPolarHBondContact O-CG 3.3Å; S210-L214 PolarHBondContact O-N 3.25Å; S210-L214 VanDerWaalsContact O-N 3.08Å; R211-L214 PolarHBondContact O-N 3.12Å; L214-K217 WeakPolarHBondContact O-CB 3.16Å; L214-K217 PolarHBondContact O-N 2.76Å; L214-I218 WeakPolarHBondContact O-CG1 3.41Å; L214-I218 PolarHBondContact O-N 3.11Å |
| 215 | E | 98.1 | Very high | 97.9 | Very high | 72 Ų | 72 | 96.8 Ų | 96.8 | 34% | 0.336 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.5 | -50.8 | 174.4 | -76.7 | 168.6 | 168.5 | 0 | 0 | 111.1 | R211 K217 I218 E219 | R211-E215 IonicContact CZ-OE1 2.74Å; R211-E215 IonicContact CZ-OE2 2.64Å; R211-E215 VanDerWaalsContact NE-CD 3.29Å; R211-E215 IonicContact NE-OE1 3.88Å; R211-E215 PolarHBondContact NE-OE1 2.89Å; R211-E215 IonicContact NE-OE2 3.18Å; R211-E215 PolarHBondContact NE-OE2 3.04Å; R211-E215 IonicContact NH2-OE1 3.88Å; R211-E215 PolarHBondContact NH2-OE1 3.34Å; R211-E215 IonicContact NH2-OE2 2.74Å; R211-E215 PolarHBondContact NH2-OE2 3.21Å; R211-E215 WeakPolarHBondContact O-CG 3.48Å; R211-E215 PolarHBondContact O-N 3.09Å; E215-K217 PolarHBondContact O-N 2.89Å; E215-I218 WeakPolarHBondContact O-CB 3.4Å; E215-I218 PolarHBondContact O-N 3.39Å; E215-E219 WeakPolarHBondContact O-CG 3.24Å; E215-E219 PolarHBondContact O-N 2.87Å |
| 216 | R | 98.2 | Very high | 98 | Very high | 172 Ų | 172 | 96.7 Ų | 96.7 | 65% | 0.649 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.1 | -34.3 | 173.3 | -74.1 | 172.2 | 176.1 | 173.3 | 0 | 113.2 | L212 E219 S220 | L212-R216 WeakPolarHBondContact O-CB 3.46Å; L212-R216 WeakPolarHBondContact O-CG 3.28Å; L212-R216 PolarHBondContact O-N 3.49Å; R216-E219 WeakPolarHBondContact CA-OE2 3.33Å; R216-S220 WeakPolarHBondContact O-CB 3.45Å; R216-S220 PolarHBondContact O-N 3.39Å; R216-S220 PolarHBondContact O-OG 2.86Å |
| 217 | K | 98.3 | Very high | 98 | Very high | 135 Ų | 135 | 98.8 Ų | 98.8 | 59% | 0.587 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.7 | -41.1 | 176.2 | -165.9 | 127.1 | -172.9 | 172.1 | 0 | 111.3 | E213 L214 E215 S220 L221 | E213-K217 WeakPolarHBondContact O-CB 3.49Å; E213-K217 PolarHBondContact O-N 3.38Å; L214-K217 WeakPolarHBondContact O-CB 3.16Å; L214-K217 PolarHBondContact O-N 2.76Å; E215-K217 PolarHBondContact O-N 2.89Å; K217-S220 PolarHBondContact O-N 3.21Å; K217-S220 PolarHBondContact O-OG 3.31Å; K217-L221 HydrophobicContact CG-CD1 4.24Å; K217-L221 WeakPolarHBondContact O-CB 3.5Å; K217-L221 VanDerWaalsContact O-CG 3.27Å; K217-L221 WeakPolarHBondContact O-CG 3.35Å; K217-L221 PolarHBondContact O-N 2.82Å |
| 218 | I | 98.2 | Very high | 98 | Very high | 101 Ų | 101 | 99.4 Ų | 99.4 | 52% | 0.518 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 173.5 | -68.3 | 162.5 | 0 | 0 | 0 | 110.3 | L214 E215 S220 L221 M222 | L214-I218 WeakPolarHBondContact O-CG1 3.41Å; L214-I218 PolarHBondContact O-N 3.11Å; E215-I218 WeakPolarHBondContact O-CB 3.4Å; E215-I218 PolarHBondContact O-N 3.39Å; I218-S220 PolarHBondContact O-N 3.31Å; I218-L221 PolarHBondContact O-N 2.91Å; I218-M222 HydrophobicContact CG2-CG 4.48Å; I218-M222 HydrophobicContact CG2-SD 4.03Å; I218-M222 WeakPolarHBondContact O-CG 3.42Å; I218-M222 PolarHBondContact O-N 3.42Å |
| 219 | E | 98 | Very high | 98 | Very high | 114 Ų | 114 | 102.7 Ų | 102.7 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -54 | -53.9 | 174.8 | -69.1 | 169.8 | 162.3 | 0 | 0 | 111 | E215 R216 L221 M222 D223 | E215-E219 WeakPolarHBondContact O-CG 3.24Å; E215-E219 PolarHBondContact O-N 2.87Å; R216-E219 WeakPolarHBondContact CA-OE2 3.33Å; E219-L221 VanDerWaalsContact C-N 3.26Å; E219-L221 PolarHBondContact O-N 3.46Å; E219-M222 WeakPolarHBondContact O-CA 3.34Å; E219-M222 WeakPolarHBondContact O-CB 3.46Å; E219-M222 PolarHBondContact O-N 2.85Å; E219-D223 PolarHBondContact O-N 3.12Å |
| 220 | S | 98.1 | Very high | 97.9 | Very high | 62 Ų | 62 | 102.9 Ų | 102.9 | 43% | 0.434 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -29.5 | 179.6 | 69.3 | 0 | 0 | 0 | 0 | 114.5 | R216 K217 I218 E224 | R216-S220 WeakPolarHBondContact O-CB 3.45Å; R216-S220 PolarHBondContact O-N 3.39Å; R216-S220 PolarHBondContact O-OG 2.86Å; K217-S220 PolarHBondContact O-N 3.21Å; K217-S220 PolarHBondContact O-OG 3.31Å; I218-S220 PolarHBondContact O-N 3.31Å; S220-E224 WeakPolarHBondContact O-CB 3.41Å; S220-E224 PolarHBondContact O-N 2.89Å; S220-E224 VanDerWaalsContact O-N 3.16Å |
| 221 | L | 97.9 | Very high | 97.9 | Very high | 96 Ų | 96 | 103 Ų | 103 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -80.4 | -28.3 | 175.5 | -71.9 | 169.8 | 0 | 0 | 0 | 111.9 | K217 I218 E219 I225 | K217-L221 HydrophobicContact CG-CD1 4.24Å; K217-L221 WeakPolarHBondContact O-CB 3.5Å; K217-L221 VanDerWaalsContact O-CG 3.27Å; K217-L221 WeakPolarHBondContact O-CG 3.35Å; K217-L221 PolarHBondContact O-N 2.82Å; I218-L221 PolarHBondContact O-N 2.91Å; E219-L221 VanDerWaalsContact C-N 3.26Å; E219-L221 PolarHBondContact O-N 3.46Å; L221-I225 WeakPolarHBondContact O-CB 3.29Å; L221-I225 WeakPolarHBondContact O-CD1 3.48Å; L221-I225 WeakPolarHBondContact O-CG1 3.31Å; L221-I225 PolarHBondContact O-N 2.96Å |
| 222 | M | 98.1 | Very high | 97.8 | Very high | 112 Ų | 112 | 102 Ų | 102 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -70.4 | -42.9 | 170.9 | -74.2 | 178.5 | 54 | 0 | 0 | 111.2 | I218 E219 I225 E226 | I218-M222 HydrophobicContact CG2-CG 4.48Å; I218-M222 HydrophobicContact CG2-SD 4.03Å; I218-M222 WeakPolarHBondContact O-CG 3.42Å; I218-M222 PolarHBondContact O-N 3.42Å; E219-M222 WeakPolarHBondContact O-CA 3.34Å; E219-M222 WeakPolarHBondContact O-CB 3.46Å; E219-M222 PolarHBondContact O-N 2.85Å; M222-I225 PolarHBondContact O-N 3Å; M222-E226 PolarHBondContact O-N 2.71Å |
| 223 | D | 97.9 | Very high | 97.6 | Very high | 111 Ų | 111 | 103.9 Ų | 103.9 | 59% | 0.594 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.3 | -45.5 | 174.1 | -71 | -26.2 | 0 | 0 | 0 | 111.5 | E219 E226 F227 | E219-D223 PolarHBondContact O-N 3.12Å; D223-E226 PolarHBondContact O-N 3.2Å; D223-F227 WeakPolarHBondContact O-CB 3.42Å; D223-F227 PolarHBondContact O-N 3.4Å |
| 224 | E | 97.8 | Very high | 97.5 | Very high | 96 Ų | 96 | 102 Ų | 102 | 45% | 0.449 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 174.7 | -177.2 | 64.9 | -157.8 | 0 | 0 | 111.9 | S220 E226 F227 L228 | S220-E224 WeakPolarHBondContact O-CB 3.41Å; S220-E224 PolarHBondContact O-N 2.89Å; S220-E224 VanDerWaalsContact O-N 3.16Å; E224-E226 VanDerWaalsContact C-N 3.32Å; E224-E226 PolarHBondContact O-N 2.97Å; E224-F227 PolarHBondContact O-N 2.7Å; E224-L228 HydrophobicContact CG-CD1 4.11Å; E224-L228 WeakPolarHBondContact O-CB 3.16Å; E224-L228 VanDerWaalsContact O-CG 3.3Å; E224-L228 WeakPolarHBondContact O-CG 3.49Å; E224-L228 PolarHBondContact O-N 2.9Å |
| 225 | I | 97.4 | Very high | 97.3 | Very high | 91 Ų | 91 | 101.1 Ų | 101.1 | 47% | 0.467 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.4 | -36.4 | 175.9 | -74 | 166 | 0 | 0 | 0 | 111.5 | L221 M222 K229 | L221-I225 WeakPolarHBondContact O-CB 3.29Å; L221-I225 WeakPolarHBondContact O-CD1 3.48Å; L221-I225 WeakPolarHBondContact O-CG1 3.31Å; L221-I225 PolarHBondContact O-N 2.96Å; M222-I225 PolarHBondContact O-N 3Å; I225-K229 HydrophobicContact CG2-CD 4.28Å; I225-K229 WeakPolarHBondContact O-CB 3.44Å; I225-K229 WeakPolarHBondContact O-CD 3.23Å; I225-K229 VanDerWaalsContact O-CG 3.22Å; I225-K229 WeakPolarHBondContact O-CG 3.34Å; I225-K229 PolarHBondContact O-N 3.06Å; I225-K229 VanDerWaalsContact O-N 3.08Å |
| 226 | E | 97.9 | Very high | 97 | Very high | 93 Ų | 93 | 103.2 Ų | 103.2 | 44% | 0.435 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.2 | -40.1 | 173.7 | -82.2 | -154.8 | -165.2 | 0 | 0 | 112.8 | M222 D223 E224 K229 K230 | M222-E226 PolarHBondContact O-N 2.71Å; D223-E226 PolarHBondContact O-N 3.2Å; E224-E226 VanDerWaalsContact C-N 3.32Å; E224-E226 PolarHBondContact O-N 2.97Å; E226-K229 PolarHBondContact O-N 3.22Å; E226-K230 WeakPolarHBondContact O-CD 3.33Å; E226-K230 VanDerWaalsContact O-CG 3.25Å; E226-K230 WeakPolarHBondContact O-CG 3.48Å; E226-K230 PolarHBondContact O-N 3.42Å; E226-K230 WeakPolarHBondContact OE2-CE 3.37Å; E226-K230 IonicContact OE2-NZ 3.67Å; E226-K230 PolarHBondContact OE2-NZ 3.32Å |
| 227 | F | 98 | Very high | 96.8 | Very high | 117 Ų | 117 | 100.6 Ų | 100.6 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61 | -50.5 | 174.9 | 174.5 | -108.2 | 0 | 0 | 0 | 111 | D223 E224 K229 K230 L231 | D223-F227 WeakPolarHBondContact O-CB 3.42Å; D223-F227 PolarHBondContact O-N 3.4Å; E224-F227 PolarHBondContact O-N 2.7Å; F227-K229 VanDerWaalsContact C-N 3.29Å; F227-K229 PolarHBondContact O-N 2.96Å; F227-K230 PolarHBondContact O-N 2.98Å; F227-K230 VanDerWaalsContact O-N 3.16Å; F227-L231 WeakPolarHBondContact O-CB 3.47Å; F227-L231 PolarHBondContact O-N 2.9Å |
| 228 | L | 97.7 | Very high | 96.4 | Very high | 66 Ų | 66 | 99.8 Ų | 99.8 | 35% | 0.346 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.9 | -33.6 | 176.9 | -68.9 | 171.5 | 0 | 0 | 0 | 112.7 | E224 H232 | E224-L228 HydrophobicContact CG-CD1 4.11Å; E224-L228 WeakPolarHBondContact O-CB 3.16Å; E224-L228 VanDerWaalsContact O-CG 3.3Å; E224-L228 WeakPolarHBondContact O-CG 3.49Å; E224-L228 PolarHBondContact O-N 2.9Å; L228-H232 WeakPolarHBondContact O-CB 3.32Å; L228-H232 VanDerWaalsContact O-CG 3.25Å; L228-H232 PolarHBondContact O-N 3.49Å; L228-H232 PolarHBondContact O-ND1 2.86Å |
| 229 | K | 97.3 | Very high | 95.8 | Very high | 120 Ų | 120 | 100.2 Ų | 100.2 | 52% | 0.522 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.7 | -48.9 | 171.8 | -77.8 | 167.6 | -176.6 | 171.8 | 0 | 112 | I225 E226 F227 L231 H232 E233 | I225-K229 HydrophobicContact CG2-CD 4.28Å; I225-K229 WeakPolarHBondContact O-CB 3.44Å; I225-K229 WeakPolarHBondContact O-CD 3.23Å; I225-K229 VanDerWaalsContact O-CG 3.22Å; I225-K229 WeakPolarHBondContact O-CG 3.34Å; I225-K229 PolarHBondContact O-N 3.06Å; I225-K229 VanDerWaalsContact O-N 3.08Å; E226-K229 PolarHBondContact O-N 3.22Å; F227-K229 VanDerWaalsContact C-N 3.29Å; F227-K229 PolarHBondContact O-N 2.96Å; K229-L231 VanDerWaalsContact C-N 3.29Å; K229-L231 PolarHBondContact O-N 3.27Å; K229-H232 PolarHBondContact O-N 2.93Å; K229-E233 WeakPolarHBondContact O-CB 3.28Å; K229-E233 WeakPolarHBondContact O-CG 3.29Å; K229-E233 PolarHBondContact O-N 2.88Å |
| 230 | K | 97.3 | Very high | 95.2 | Very high | 100 Ų | 100 | 100.2 Ų | 100.2 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 179.6 | -69.3 | 158.1 | -166.7 | 164.1 | 0 | 110.8 | E226 F227 E233 E234 | E226-K230 WeakPolarHBondContact O-CD 3.33Å; E226-K230 VanDerWaalsContact O-CG 3.25Å; E226-K230 WeakPolarHBondContact O-CG 3.48Å; E226-K230 PolarHBondContact O-N 3.42Å; E226-K230 WeakPolarHBondContact OE2-CE 3.37Å; E226-K230 IonicContact OE2-NZ 3.67Å; E226-K230 PolarHBondContact OE2-NZ 3.32Å; F227-K230 PolarHBondContact O-N 2.98Å; F227-K230 VanDerWaalsContact O-N 3.16Å; K230-E233 PolarHBondContact O-N 2.73Å; K230-E234 WeakPolarHBondContact O-CB 3.35Å; K230-E234 WeakPolarHBondContact O-CG 3.39Å; K230-E234 PolarHBondContact O-N 3.46Å |
| 231 | L | 97.3 | Very high | 94.7 | Very high | 60 Ų | 60 | 101.5 Ų | 101.5 | 31% | 0.314 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -51.5 | 174.2 | -174 | 68.1 | 0 | 0 | 0 | 112.1 | F227 K229 E233 E234 E235 | F227-L231 WeakPolarHBondContact O-CB 3.47Å; F227-L231 PolarHBondContact O-N 2.9Å; K229-L231 VanDerWaalsContact C-N 3.29Å; K229-L231 PolarHBondContact O-N 3.27Å; L231-E233 VanDerWaalsContact C-N 3.3Å; L231-E233 PolarHBondContact O-N 3.36Å; L231-E234 WeakPolarHBondContact O-CA 3.46Å; L231-E234 WeakPolarHBondContact O-CB 3.16Å; L231-E234 PolarHBondContact O-N 3.08Å; L231-E234 VanDerWaalsContact O-N 3.09Å; L231-E235 WeakPolarHBondContact O-CG 3.44Å; L231-E235 PolarHBondContact O-N 3.25Å |
| 232 | H | 95.3 | Very high | 93.9 | Very high | 103 Ų | 103 | 99.2 Ų | 99.2 | 48% | 0.477 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -33.2 | 176.9 | -66.7 | 130.8 | 0 | 0 | 0 | 112.6 | L228 K229 E234 E235 L236 | L228-H232 WeakPolarHBondContact O-CB 3.32Å; L228-H232 VanDerWaalsContact O-CG 3.25Å; L228-H232 PolarHBondContact O-N 3.49Å; L228-H232 PolarHBondContact O-ND1 2.86Å; K229-H232 PolarHBondContact O-N 2.93Å; H232-E234 VanDerWaalsContact C-N 3.33Å; H232-E235 IonicContact CD2-OE2 3.23Å; H232-L236 VanDerWaalsContact O-CB 3.24Å; H232-L236 WeakPolarHBondContact O-CB 3.43Å; H232-L236 WeakPolarHBondContact O-CD1 3.31Å; H232-L236 WeakPolarHBondContact O-CG 3.29Å; H232-L236 PolarHBondContact O-N 2.93Å |
| 233 | E | 96 | Very high | 92.9 | Very high | 110 Ų | 110 | 97.5 Ų | 97.5 | 51% | 0.514 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.2 | -32.1 | 172.9 | -74.8 | 177 | -159.4 | 0 | 0 | 112.3 | K229 K230 L231 R237 | K229-E233 WeakPolarHBondContact O-CB 3.28Å; K229-E233 WeakPolarHBondContact O-CG 3.29Å; K229-E233 PolarHBondContact O-N 2.88Å; K230-E233 PolarHBondContact O-N 2.73Å; L231-E233 VanDerWaalsContact C-N 3.3Å; L231-E233 PolarHBondContact O-N 3.36Å; E233-R237 WeakPolarHBondContact O-CB 3.3Å; E233-R237 VanDerWaalsContact O-CG 3.28Å; E233-R237 WeakPolarHBondContact O-CG 3.41Å; E233-R237 PolarHBondContact O-N 3.04Å; E233-R237 PolarHBondContact O-NE 3.07Å; E233-R237 IonicContact OE2-NH2 2.84Å |
| 234 | E | 94.8 | Very high | 91.7 | Very high | 96 Ų | 96 | 96.8 Ų | 96.8 | 45% | 0.449 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.2 | -49.7 | 172.2 | -79.6 | 163 | -168.3 | 0 | 0 | 111.1 | K230 L231 H232 L236 R237 D238 | K230-E234 WeakPolarHBondContact O-CB 3.35Å; K230-E234 WeakPolarHBondContact O-CG 3.39Å; K230-E234 PolarHBondContact O-N 3.46Å; L231-E234 WeakPolarHBondContact O-CA 3.46Å; L231-E234 WeakPolarHBondContact O-CB 3.16Å; L231-E234 PolarHBondContact O-N 3.08Å; L231-E234 VanDerWaalsContact O-N 3.09Å; H232-E234 VanDerWaalsContact C-N 3.33Å; E234-L236 VanDerWaalsContact C-N 3.32Å; E234-L236 PolarHBondContact O-N 3.29Å; E234-R237 WeakPolarHBondContact O-CB 3.43Å; E234-R237 PolarHBondContact O-N 3.25Å; E234-R237 VanDerWaalsContact O-N 3.1Å; E234-D238 PolarHBondContact O-N 3.44Å |
| 235 | E | 93.6 | Very high | 90.2 | Very high | 97 Ų | 97 | 94.1 Ų | 94.1 | 45% | 0.453 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.3 | -40.8 | 174.2 | -69.6 | 179.8 | 158.7 | 0 | 0 | 112.3 | L231 H232 D238 L239 | L231-E235 WeakPolarHBondContact O-CG 3.44Å; L231-E235 PolarHBondContact O-N 3.25Å; H232-E235 IonicContact CD2-OE2 3.23Å; E235-D238 PolarHBondContact O-N 2.94Å; E235-L239 VanDerWaalsContact O-CB 3.26Å; E235-L239 WeakPolarHBondContact O-CB 3.1Å; E235-L239 WeakPolarHBondContact O-CG 3.44Å; E235-L239 PolarHBondContact O-N 3.44Å |
| 236 | L | 92.2 | Very high | 88.4 | Confident | 115 Ų | 115 | 95 Ų | 95 | 60% | 0.602 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -67.4 | -37.7 | 175.2 | -76.2 | 169.9 | 0 | 0 | 0 | 112.2 | H232 E234 Q240 | H232-L236 VanDerWaalsContact O-CB 3.24Å; H232-L236 WeakPolarHBondContact O-CB 3.43Å; H232-L236 WeakPolarHBondContact O-CD1 3.31Å; H232-L236 WeakPolarHBondContact O-CG 3.29Å; H232-L236 PolarHBondContact O-N 2.93Å; E234-L236 VanDerWaalsContact C-N 3.32Å; E234-L236 PolarHBondContact O-N 3.29Å; L236-Q240 WeakPolarHBondContact O-CB 3.5Å; L236-Q240 PolarHBondContact O-N 2.64Å |
| 237 | R | 92.8 | Very high | 86.1 | Confident | 117 Ų | 117 | 96.6 Ų | 96.6 | 44% | 0.442 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.7 | -44.4 | 173.7 | -83.3 | 176 | -91.3 | 127 | -9.3 | 111.4 | E233 E234 Q240 V241 | E233-R237 WeakPolarHBondContact O-CB 3.3Å; E233-R237 VanDerWaalsContact O-CG 3.28Å; E233-R237 WeakPolarHBondContact O-CG 3.41Å; E233-R237 PolarHBondContact O-N 3.04Å; E233-R237 PolarHBondContact O-NE 3.07Å; E233-R237 IonicContact OE2-NH2 2.84Å; E234-R237 WeakPolarHBondContact O-CB 3.43Å; E234-R237 PolarHBondContact O-N 3.25Å; E234-R237 VanDerWaalsContact O-N 3.1Å; R237-Q240 PolarHBondContact O-N 2.87Å; R237-V241 WeakPolarHBondContact O-CB 3.5Å; R237-V241 WeakPolarHBondContact O-CG2 3.31Å; R237-V241 PolarHBondContact O-N 2.89Å |
| 238 | D | 90.6 | Very high | 83.7 | Confident | 119 Ų | 119 | 95.5 Ų | 95.5 | 64% | 0.636 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68 | -38.2 | 178.1 | -78 | -3.4 | 0 | 0 | 0 | 112 | E234 E235 S242 | E234-D238 PolarHBondContact O-N 3.44Å; E235-D238 PolarHBondContact O-N 2.94Å; D238-S242 VanDerWaalsContact O-CB 3.26Å; D238-S242 WeakPolarHBondContact O-CB 3.43Å; D238-S242 PolarHBondContact O-N 3.42Å |
| 239 | L | 86.4 | Confident | 81.4 | Confident | 109 Ų | 109 | 98.8 Ų | 98.8 | 57% | 0.571 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.8 | -40 | 171.1 | -76.2 | 170.2 | 0 | 0 | 0 | 111.9 | E235 S242 V243 | E235-L239 VanDerWaalsContact O-CB 3.26Å; E235-L239 WeakPolarHBondContact O-CB 3.1Å; E235-L239 WeakPolarHBondContact O-CG 3.44Å; E235-L239 PolarHBondContact O-N 3.44Å; L239-S242 CarbonylContact O-C 3.59Å; L239-S242 WeakPolarHBondContact O-CB 3.25Å; L239-S242 PolarHBondContact O-N 2.78Å; L239-V243 WeakPolarHBondContact O-CG2 3.45Å; L239-V243 PolarHBondContact O-N 2.94Å |
| 240 | Q | 85.8 | Confident | 78.6 | Confident | 115 Ų | 115 | 101 Ų | 101 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.9 | -45.2 | 176.4 | -177.1 | 171.2 | -11.2 | 0 | 0 | 111 | L236 R237 S242 V243 E244 | L236-Q240 WeakPolarHBondContact O-CB 3.5Å; L236-Q240 PolarHBondContact O-N 2.64Å; R237-Q240 PolarHBondContact O-N 2.87Å; Q240-S242 VanDerWaalsContact C-N 3.27Å; Q240-S242 PolarHBondContact O-N 2.9Å; Q240-V243 PolarHBondContact O-N 3.39Å; Q240-E244 HydrophobicContact CG-CG 4.43Å; Q240-E244 VanDerWaalsContact CG-OE1 3.28Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.29Å; Q240-E244 PolarHBondContact NE2-OE1 3.07Å; Q240-E244 WeakPolarHBondContact O-CB 3.22Å; Q240-E244 WeakPolarHBondContact O-CG 3.49Å; Q240-E244 PolarHBondContact O-N 3.49Å |
| 241 | V | 86.5 | Confident | 76.1 | Confident | 89 Ų | 89 | 101.9 Ų | 101.9 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.1 | -34 | 171.2 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | R237 S245 | R237-V241 WeakPolarHBondContact O-CB 3.5Å; R237-V241 WeakPolarHBondContact O-CG2 3.31Å; R237-V241 PolarHBondContact O-N 2.89Å; V241-S245 WeakPolarHBondContact O-CB 3.43Å; V241-S245 PolarHBondContact O-N 3.22Å; V241-S245 PolarHBondContact O-OG 2.97Å |
| 242 | S | 80.6 | Confident | 73.5 | Confident | 47 Ų | 47 | 106.8 Ų | 106.8 | 33% | 0.329 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.9 | -40.5 | 173.6 | -164.7 | 0 | 0 | 0 | 0 | 112.2 | D238 L239 Q240 S245 Q246 | D238-S242 VanDerWaalsContact O-CB 3.26Å; D238-S242 WeakPolarHBondContact O-CB 3.43Å; D238-S242 PolarHBondContact O-N 3.42Å; L239-S242 CarbonylContact O-C 3.59Å; L239-S242 WeakPolarHBondContact O-CB 3.25Å; L239-S242 PolarHBondContact O-N 2.78Å; Q240-S242 VanDerWaalsContact C-N 3.27Å; Q240-S242 PolarHBondContact O-N 2.9Å; S242-S245 WeakPolarHBondContact CA-OG 3.39Å; S242-S245 PolarHBondContact O-OG 2.88Å; S242-Q246 VanDerWaalsContact O-CB 3.25Å; S242-Q246 WeakPolarHBondContact O-CB 3.27Å; S242-Q246 WeakPolarHBondContact O-CG 3.05Å; S242-Q246 PolarHBondContact O-N 2.89Å; S242-Q246 PolarHBondContact O-NE2 3.33Å; S242-Q246 PolarHBondContact OG-NE2 3.13Å; S242-Q246 VanDerWaalsContact OG-NE2 3.11Å |
| 243 | V | 77.7 | Confident | 71 | Confident | 76 Ų | 76 | 107.7 Ų | 107.7 | 46% | 0.461 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.9 | -43.7 | 176.7 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | L239 Q240 Q246 Q247 | L239-V243 WeakPolarHBondContact O-CG2 3.45Å; L239-V243 PolarHBondContact O-N 2.94Å; Q240-V243 PolarHBondContact O-N 3.39Å; V243-Q246 PolarHBondContact O-N 3.41Å; V243-Q247 WeakPolarHBondContact O-CG 3.21Å; V243-Q247 PolarHBondContact O-N 2.98Å |
| 244 | E | 72.8 | Confident | 68.2 | Low | 97 Ų | 97 | 111.7 Ų | 111.7 | 45% | 0.453 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.9 | -42.1 | 176.4 | -72 | 174.6 | -166 | 0 | 0 | 110.8 | Q240 Q247 V248 | Q240-E244 HydrophobicContact CG-CG 4.43Å; Q240-E244 VanDerWaalsContact CG-OE1 3.28Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.29Å; Q240-E244 PolarHBondContact NE2-OE1 3.07Å; Q240-E244 WeakPolarHBondContact O-CB 3.22Å; Q240-E244 WeakPolarHBondContact O-CG 3.49Å; Q240-E244 PolarHBondContact O-N 3.49Å; E244-Q247 PolarHBondContact O-N 3.01Å; E244-Q247 VanDerWaalsContact O-N 3.17Å; E244-V248 WeakPolarHBondContact O-CG2 3.33Å; E244-V248 PolarHBondContact O-N 2.91Å |
| 245 | S | 67.5 | Low | 65.9 | Low | 40 Ų | 40 | 111.5 Ų | 111.5 | 28% | 0.28 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.3 | -32.3 | 172.9 | 62.9 | 0 | 0 | 0 | 0 | 113.1 | V241 S242 Q247 V248 Q249 | V241-S245 WeakPolarHBondContact O-CB 3.43Å; V241-S245 PolarHBondContact O-N 3.22Å; V241-S245 PolarHBondContact O-OG 2.97Å; S242-S245 WeakPolarHBondContact CA-OG 3.39Å; S242-S245 PolarHBondContact O-OG 2.88Å; S245-Q247 VanDerWaalsContact C-N 3.27Å; S245-Q247 PolarHBondContact O-N 3.45Å; S245-V248 PolarHBondContact O-N 2.92Å; S245-Q249 WeakPolarHBondContact O-CB 3.38Å; S245-Q249 WeakPolarHBondContact O-CG 3.43Å; S245-Q249 PolarHBondContact O-N 2.9Å |
| 246 | Q | 57.7 | Low | 64 | Low | 109 Ų | 109 | 113.1 Ų | 113.1 | 51% | 0.509 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.7 | -26.2 | 169.5 | -78.6 | 170.6 | 55.7 | 0 | 0 | 113 | S242 V243 Q250 | S242-Q246 VanDerWaalsContact O-CB 3.25Å; S242-Q246 WeakPolarHBondContact O-CB 3.27Å; S242-Q246 WeakPolarHBondContact O-CG 3.05Å; S242-Q246 PolarHBondContact O-N 2.89Å; S242-Q246 PolarHBondContact O-NE2 3.33Å; S242-Q246 PolarHBondContact OG-NE2 3.13Å; S242-Q246 VanDerWaalsContact OG-NE2 3.11Å; V243-Q246 PolarHBondContact O-N 3.41Å; Q246-Q250 WeakPolarHBondContact O-CG 3.43Å |
| 247 | Q | 50.4 | Low | 62.2 | Low | 126 Ų | 126 | 111.9 Ų | 111.9 | 59% | 0.589 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -80.7 | -38.8 | 172 | -71 | 178.2 | 17.4 | 0 | 0 | 112.1 | V243 E244 S245 Q250 | V243-Q247 WeakPolarHBondContact O-CG 3.21Å; V243-Q247 PolarHBondContact O-N 2.98Å; E244-Q247 PolarHBondContact O-N 3.01Å; E244-Q247 VanDerWaalsContact O-N 3.17Å; S245-Q247 VanDerWaalsContact C-N 3.27Å; S245-Q247 PolarHBondContact O-N 3.45Å; Q247-Q250 PolarHBondContact O-N 3.33Å |
| 248 | V | 48.8 | Very low | 60.3 | Low | 95 Ų | 95 | 116 Ų | 116 | 58% | 0.576 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73.9 | -36.5 | 178.3 | 172.7 | 0 | 0 | 0 | 0 | 112.4 | E244 S245 Q250 V251 E252 | E244-V248 WeakPolarHBondContact O-CG2 3.33Å; E244-V248 PolarHBondContact O-N 2.91Å; S245-V248 PolarHBondContact O-N 2.92Å; V248-Q250 PolarHBondContact O-N 3.49Å; V248-Q250 VanDerWaalsContact O-N 3.15Å; V248-V251 PolarHBondContact O-N 2.74Å; V248-E252 PolarHBondContact O-N 2.74Å |
| 249 | Q | 47.6 | Very low | 58.7 | Low | 134 Ų | 134 | 115.7 Ų | 115.7 | 63% | 0.626 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -11.6 | 174.3 | -73.8 | 171 | 26.9 | 0 | 0 | 113.5 | S245 V251 | S245-Q249 WeakPolarHBondContact O-CB 3.38Å; S245-Q249 WeakPolarHBondContact O-CG 3.43Å; S245-Q249 PolarHBondContact O-N 2.9Å; Q249-V251 VanDerWaalsContact C-N 3.34Å |
| 250 | Q | 39.6 | Very low | 57.3 | Low | 167 Ų | 167 | 116.7 Ų | 116.7 | 78% | 0.78 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -4.1 | 171.1 | -72.2 | -178.7 | 23.7 | 0 | 0 | 113.8 | Q246 Q247 V248 | Q246-Q250 WeakPolarHBondContact O-CG 3.43Å; Q247-Q250 PolarHBondContact O-N 3.33Å; V248-Q250 PolarHBondContact O-N 3.49Å; V248-Q250 VanDerWaalsContact O-N 3.15Å |
| 251 | V | 45.1 | Very low | 56.2 | Low | 118 Ų | 118 | 115.9 Ų | 115.9 | 72% | 0.715 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.6 | -48.2 | -172.9 | -164.7 | 0 | 0 | 0 | 0 | 114.3 | V248 Q249 | V248-V251 PolarHBondContact O-N 2.74Å; Q249-V251 VanDerWaalsContact C-N 3.34Å |
| 252 | E | 43.2 | Very low | 55.3 | Low | 164 Ų | 164 | 116.4 Ų | 116.4 | 77% | 0.766 | 63% | 0.628 | S | S | * | * | trans | -138.7 | 85.4 | -171.9 | -65.4 | -167.6 | 155.9 | 0 | 0 | 115.3 | V248 | V248-E252 PolarHBondContact O-N 2.74Š| ||
| 253 | V | 42.1 | Very low | 54.8 | Low | 122 Ų | 122 | 115.5 Ų | 115.5 | 74% | 0.739 | 62% | 0.623 | S | S | * | * | trans | -144.7 | 68.9 | 158.4 | -163.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 254 | E | 36 | Very low | 54.8 | Low | 194 Ų | 194 | 113.7 Ų | 113.7 | 91% | 0.907 | 62% | 0.616 | S | S | * | * | trans | -128.6 | 137 | 159 | -77.8 | -151.8 | 150.8 | 0 | 0 | 111.7 | ||||
| 255 | A | 47.2 | Very low | 55.1 | Low | 92 Ų | 92 | 114 Ų | 114 | 76% | 0.76 | 62% | 0.621 | S | S | * | * | S | Bend | trans | 60.6 | 118.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 256 | T | 54.9 | Low | 55.9 | Low | 130 Ų | 130 | 119.1 Ų | 119.1 | 80% | 0.798 | 63% | 0.634 | S | S | * | * | -165.9 | 36.6 | 64 | 38 | 0 | 0 | 0 | 0 | 114.6 | K258 | T256-K258 PolarHBondContact O-N 3.07Š| |||
| 257 | V | 53 | Low | 57.2 | Low | 90 Ų | 90 | 118 Ų | 118 | 55% | 0.545 | 63% | 0.632 | S | S | . | * | trans | -93.2 | 88.1 | -174.6 | -170.2 | 0 | 0 | 0 | 0 | 113.3 | E260 | V257-E260 HydrophobicContact CG1-CB 4.16Š| ||
| 258 | K | 52.3 | Low | 59 | Low | 202 Ų | 202 | 115.9 Ų | 115.9 | 88% | 0.878 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -131.6 | -9.4 | 175.5 | -76 | -169.5 | 176.7 | 173.9 | 0 | 119.7 | T256 | T256-K258 PolarHBondContact O-N 3.07Š|
| 259 | P | 57 | Low | 60.8 | Low | 114 Ų | 114 | 119 Ų | 119 | 74% | 0.74 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -95.2 | -26.1 | 160.1 | 32.7 | -28.8 | 0 | 0 | 0 | 112.8 | ||
| 260 | E | 57.7 | Low | 62.8 | Low | 129 Ų | 129 | 115.1 Ų | 115.1 | 60% | 0.603 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -87.2 | -18 | -172.1 | -66.6 | -172.6 | 142.8 | 0 | 0 | 115 | V257 T262 A263 A264 | V257-E260 HydrophobicContact CG1-CB 4.16Å; E260-T262 PolarHBondContact O-N 3.34Å; E260-T262 VanDerWaalsContact O-N 3.11Å; E260-A263 CarbonylContact O-C 3.54Å; E260-A263 WeakPolarHBondContact O-CA 3.47Å; E260-A263 WeakPolarHBondContact O-CB 3.23Å; E260-A263 PolarHBondContact O-N 3.35Å; E260-A264 PolarHBondContact O-N 3.35Å |
| 261 | L | 62.5 | Low | 65.3 | Low | 98 Ų | 98 | 113 Ų | 113 | 51% | 0.513 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -55.4 | -37.3 | -175.3 | -176.7 | 63.2 | 0 | 0 | 0 | 112.5 | A263 L265 | L261-A263 VanDerWaalsContact C-N 3.31Å; L261-A263 PolarHBondContact O-N 2.89Å; L261-L265 HydrophobicContact CD1-CD1 4.17Å; L261-L265 HydrophobicContact CD1-CG 4.21Å; L261-L265 HydrophobicContact CG-CD1 3.98Å; L261-L265 HydrophobicContact CG-CG 4.44Å; L261-L265 VanDerWaalsContact O-CB 3.26Å; L261-L265 WeakPolarHBondContact O-CB 3.43Å; L261-L265 VanDerWaalsContact O-CG 3.22Å; L261-L265 WeakPolarHBondContact O-CG 3.42Å; L261-L265 PolarHBondContact O-N 2.89Å |
| 262 | T | 67.4 | Low | 67.6 | Low | 100 Ų | 100 | 115.5 Ų | 115.5 | 61% | 0.613 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -76.7 | -15 | 177.4 | -38.7 | 0 | 0 | 0 | 0 | 113.4 | E260 R266 | E260-T262 PolarHBondContact O-N 3.34Å; E260-T262 VanDerWaalsContact O-N 3.11Å; T262-R266 PolarHBondContact O-NE 2.93Å; T262-R266 PolarHBondContact O-NH2 2.92Å |
| 263 | A | 69.9 | Low | 69.9 | Low | 29 Ų | 29 | 112.6 Ų | 112.6 | 24% | 0.24 | 59% | 0.59 | C | S | . | * | H | α-helix | trans | -86.2 | -53.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | E260 L261 L265 R266 D267 | E260-A263 CarbonylContact O-C 3.54Å; E260-A263 WeakPolarHBondContact O-CA 3.47Å; E260-A263 WeakPolarHBondContact O-CB 3.23Å; E260-A263 PolarHBondContact O-N 3.35Å; L261-A263 VanDerWaalsContact C-N 3.31Å; L261-A263 PolarHBondContact O-N 2.89Å; A263-L265 VanDerWaalsContact C-N 3.29Å; A263-L265 PolarHBondContact O-N 3.22Å; A263-R266 CarbonylContact O-C 3.56Å; A263-R266 WeakPolarHBondContact O-CA 3.33Å; A263-R266 WeakPolarHBondContact O-CB 3.43Å; A263-R266 PolarHBondContact O-N 3.43Å; A263-D267 VanDerWaalsContact O-CG 3.27Å; A263-D267 PolarHBondContact O-N 3.42Å |
| 264 | A | 79 | Confident | 72.4 | Confident | 38 Ų | 38 | 109.4 Ų | 109.4 | 31% | 0.314 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -53.6 | -41.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E260 R266 D267 I268 | E260-A264 PolarHBondContact O-N 3.35Å; A264-R266 VanDerWaalsContact C-N 3.32Å; A264-R266 PolarHBondContact O-N 3.04Å; A264-D267 PolarHBondContact O-N 3.16Å; A264-I268 VanDerWaalsContact O-CB 3.24Å; A264-I268 WeakPolarHBondContact O-CB 3.31Å; A264-I268 WeakPolarHBondContact O-CD1 3.47Å; A264-I268 WeakPolarHBondContact O-CG1 3.23Å; A264-I268 PolarHBondContact O-N 2.88Å |
| 265 | L | 79.1 | Confident | 75.1 | Confident | 104 Ų | 104 | 104.9 Ų | 104.9 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.4 | -27.6 | 174.4 | -74.8 | 171.2 | 0 | 0 | 0 | 113.8 | L261 A263 R269 | L261-L265 HydrophobicContact CD1-CD1 4.17Å; L261-L265 HydrophobicContact CD1-CG 4.21Å; L261-L265 HydrophobicContact CG-CD1 3.98Å; L261-L265 HydrophobicContact CG-CG 4.44Å; L261-L265 VanDerWaalsContact O-CB 3.26Å; L261-L265 WeakPolarHBondContact O-CB 3.43Å; L261-L265 VanDerWaalsContact O-CG 3.22Å; L261-L265 WeakPolarHBondContact O-CG 3.42Å; L261-L265 PolarHBondContact O-N 2.89Å; A263-L265 VanDerWaalsContact C-N 3.29Å; A263-L265 PolarHBondContact O-N 3.22Å; L265-R269 WeakPolarHBondContact O-CB 3.41Å; L265-R269 PolarHBondContact O-N 3.43Å |
| 266 | R | 83.2 | Confident | 77.3 | Confident | 146 Ų | 146 | 103.4 Ų | 103.4 | 55% | 0.551 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -75.6 | -39 | 170.5 | -87.9 | -176.4 | -75.1 | 99.3 | -4.6 | 111.5 | T262 A263 A264 R269 A270 | T262-R266 PolarHBondContact O-NE 2.93Å; T262-R266 PolarHBondContact O-NH2 2.92Å; A263-R266 CarbonylContact O-C 3.56Å; A263-R266 WeakPolarHBondContact O-CA 3.33Å; A263-R266 WeakPolarHBondContact O-CB 3.43Å; A263-R266 PolarHBondContact O-N 3.43Å; A264-R266 VanDerWaalsContact C-N 3.32Å; A264-R266 PolarHBondContact O-N 3.04Å; R266-R269 PolarHBondContact O-N 2.98Å; R266-A270 WeakPolarHBondContact O-CB 3.4Å; R266-A270 PolarHBondContact O-N 3.05Å |
| 267 | D | 85.1 | Confident | 79.2 | Confident | 87 Ų | 87 | 100 Ų | 100 | 47% | 0.465 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -75.8 | -40.5 | -176.6 | -58.1 | -24.1 | 0 | 0 | 0 | 111 | A263 A264 R269 A270 Q271 | A263-D267 VanDerWaalsContact O-CG 3.27Å; A263-D267 PolarHBondContact O-N 3.42Å; A264-D267 PolarHBondContact O-N 3.16Å; D267-R269 VanDerWaalsContact C-N 3.32Å; D267-R269 PolarHBondContact O-N 3.04Å; D267-A270 PolarHBondContact O-N 3.21Å; D267-Q271 WeakPolarHBondContact O-CB 3.47Å; D267-Q271 VanDerWaalsContact O-CG 3.32Å; D267-Q271 WeakPolarHBondContact O-CG 3.38Å; D267-Q271 PolarHBondContact O-N 2.9Å |
| 268 | I | 87.6 | Confident | 81.2 | Confident | 81 Ų | 81 | 101 Ų | 101 | 42% | 0.415 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 167.7 | -70.4 | 164.7 | 0 | 0 | 0 | 110 | A264 Q271 Y272 | A264-I268 VanDerWaalsContact O-CB 3.24Å; A264-I268 WeakPolarHBondContact O-CB 3.31Å; A264-I268 WeakPolarHBondContact O-CD1 3.47Å; A264-I268 WeakPolarHBondContact O-CG1 3.23Å; A264-I268 PolarHBondContact O-N 2.88Å; I268-Q271 PolarHBondContact O-N 2.89Å; I268-Y272 HydrophobicContact CG2-CD2 3.75Å; I268-Y272 HydrophobicContact CG2-CE2 3.77Å; I268-Y272 VanDerWaalsContact O-CD2 3.31Å; I268-Y272 WeakPolarHBondContact O-CD2 3.29Å; I268-Y272 PolarHBondContact O-N 3.23Å |
| 269 | R | 88.1 | Confident | 83.2 | Confident | 160 Ų | 160 | 96.5 Ų | 96.5 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.2 | -43.6 | 176.5 | 178.8 | 174 | 175.2 | 140 | 13.7 | 112 | L265 R266 D267 Q271 Y272 E273 | L265-R269 WeakPolarHBondContact O-CB 3.41Å; L265-R269 PolarHBondContact O-N 3.43Å; R266-R269 PolarHBondContact O-N 2.98Å; D267-R269 VanDerWaalsContact C-N 3.32Å; D267-R269 PolarHBondContact O-N 3.04Å; R269-Q271 VanDerWaalsContact C-N 3.31Å; R269-Q271 PolarHBondContact O-N 2.74Å; R269-Y272 PolarHBondContact O-N 3.19Å; R269-E273 HydrophobicContact CG-CG 4.38Å; R269-E273 IonicContact CZ-OE1 3.15Å; R269-E273 VanDerWaalsContact CZ-OE1 3.23Å; R269-E273 IonicContact NE-OE1 3.88Å; R269-E273 PolarHBondContact NE-OE1 3.3Å; R269-E273 IonicContact NH2-OE1 2.7Å; R269-E273 PolarHBondContact NH2-OE1 2.98Å; R269-E273 WeakPolarHBondContact O-CB 3.39Å; R269-E273 WeakPolarHBondContact O-CG 3.39Å; R269-E273 PolarHBondContact O-N 3.01Å |
| 270 | A | 89.4 | Confident | 85.1 | Confident | 53 Ų | 53 | 96.2 Ų | 96.2 | 44% | 0.438 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -33.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | R266 D267 S274 | R266-A270 WeakPolarHBondContact O-CB 3.4Å; R266-A270 PolarHBondContact O-N 3.05Å; D267-A270 PolarHBondContact O-N 3.21Å; A270-S274 VanDerWaalsContact O-CB 3.22Å; A270-S274 WeakPolarHBondContact O-CB 3.45Å; A270-S274 PolarHBondContact O-N 3.49Å |
| 271 | Q | 91.4 | Very high | 86.9 | Confident | 123 Ų | 123 | 95.4 Ų | 95.4 | 58% | 0.575 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66 | -47.3 | 170.6 | -74.6 | 176.7 | 11.2 | 0 | 0 | 111.4 | D267 I268 R269 E273 S274 I275 | D267-Q271 WeakPolarHBondContact O-CB 3.47Å; D267-Q271 VanDerWaalsContact O-CG 3.32Å; D267-Q271 WeakPolarHBondContact O-CG 3.38Å; D267-Q271 PolarHBondContact O-N 2.9Å; I268-Q271 PolarHBondContact O-N 2.89Å; R269-Q271 VanDerWaalsContact C-N 3.31Å; R269-Q271 PolarHBondContact O-N 2.74Å; Q271-E273 PolarHBondContact O-N 3.44Å; Q271-S274 PolarHBondContact O-N 2.87Å; Q271-I275 WeakPolarHBondContact O-CB 3.47Å; Q271-I275 WeakPolarHBondContact O-CD1 3.32Å; Q271-I275 VanDerWaalsContact O-CG1 3.22Å; Q271-I275 WeakPolarHBondContact O-CG1 3.31Å; Q271-I275 PolarHBondContact O-N 3.46Å |
| 272 | Y | 92.8 | Very high | 88.5 | Confident | 169 Ų | 169 | 96 Ų | 96 | 66% | 0.663 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.2 | -41.6 | 174.9 | -86.9 | -70.9 | 0 | 0 | 0 | 112.7 | I268 R269 S274 I275 A276 | I268-Y272 HydrophobicContact CG2-CD2 3.75Å; I268-Y272 HydrophobicContact CG2-CE2 3.77Å; I268-Y272 VanDerWaalsContact O-CD2 3.31Å; I268-Y272 WeakPolarHBondContact O-CD2 3.29Å; I268-Y272 PolarHBondContact O-N 3.23Å; R269-Y272 PolarHBondContact O-N 3.19Å; Y272-S274 VanDerWaalsContact C-N 3.33Å; Y272-I275 PolarHBondContact O-N 3.05Å; Y272-A276 VanDerWaalsContact O-CB 3.26Å; Y272-A276 WeakPolarHBondContact O-CB 3.15Å; Y272-A276 PolarHBondContact O-N 2.95Å |
| 273 | E | 91.8 | Very high | 89.8 | Confident | 103 Ų | 103 | 92.9 Ų | 92.9 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.9 | -35.4 | 175.4 | -72.6 | 172 | 174 | 0 | 0 | 111.1 | R269 Q271 A277 | R269-E273 HydrophobicContact CG-CG 4.38Å; R269-E273 IonicContact CZ-OE1 3.15Å; R269-E273 VanDerWaalsContact CZ-OE1 3.23Å; R269-E273 IonicContact NE-OE1 3.88Å; R269-E273 PolarHBondContact NE-OE1 3.3Å; R269-E273 IonicContact NH2-OE1 2.7Å; R269-E273 PolarHBondContact NH2-OE1 2.98Å; R269-E273 WeakPolarHBondContact O-CB 3.39Å; R269-E273 WeakPolarHBondContact O-CG 3.39Å; R269-E273 PolarHBondContact O-N 3.01Å; Q271-E273 PolarHBondContact O-N 3.44Å; E273-A277 VanDerWaalsContact O-CB 3.3Å; E273-A277 WeakPolarHBondContact O-CB 3.39Å; E273-A277 PolarHBondContact O-N 3.24Å |
| 274 | S | 94.8 | Very high | 91 | Very high | 55 Ų | 55 | 96 Ų | 96 | 39% | 0.385 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.8 | -42.4 | 172.4 | -173.7 | 0 | 0 | 0 | 0 | 113.1 | A270 Q271 Y272 A277 K278 | A270-S274 VanDerWaalsContact O-CB 3.22Å; A270-S274 WeakPolarHBondContact O-CB 3.45Å; A270-S274 PolarHBondContact O-N 3.49Å; Q271-S274 PolarHBondContact O-N 2.87Å; Y272-S274 VanDerWaalsContact C-N 3.33Å; S274-A277 PolarHBondContact O-N 3.46Å; S274-K278 WeakPolarHBondContact O-CB 3.44Å; S274-K278 VanDerWaalsContact O-CG 3.29Å; S274-K278 WeakPolarHBondContact O-CG 3.44Å; S274-K278 PolarHBondContact O-N 3.28Å |
| 275 | I | 93.3 | Very high | 91.8 | Very high | 99 Ų | 99 | 99 Ų | 99 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | 177.7 | -69.6 | 162.2 | 0 | 0 | 0 | 110.2 | Q271 Y272 K278 N279 | Q271-I275 WeakPolarHBondContact O-CB 3.47Å; Q271-I275 WeakPolarHBondContact O-CD1 3.32Å; Q271-I275 VanDerWaalsContact O-CG1 3.22Å; Q271-I275 WeakPolarHBondContact O-CG1 3.31Å; Q271-I275 PolarHBondContact O-N 3.46Å; Y272-I275 PolarHBondContact O-N 3.05Å; I275-K278 PolarHBondContact O-N 3.42Å; I275-N279 VanDerWaalsContact O-CB 3.27Å; I275-N279 WeakPolarHBondContact O-CB 3.44Å; I275-N279 PolarHBondContact O-N 3.12Å |
| 276 | A | 92.9 | Very high | 92.7 | Very high | 61 Ų | 61 | 101.3 Ų | 101.3 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y272 L280 | Y272-A276 VanDerWaalsContact O-CB 3.26Å; Y272-A276 WeakPolarHBondContact O-CB 3.15Å; Y272-A276 PolarHBondContact O-N 2.95Å; A276-L280 WeakPolarHBondContact O-CB 3.29Å; A276-L280 PolarHBondContact O-N 2.99Å |
| 277 | A | 94.1 | Very high | 93.3 | Very high | 59 Ų | 59 | 101.7 Ų | 101.7 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E273 S274 L280 Q281 | E273-A277 VanDerWaalsContact O-CB 3.3Å; E273-A277 WeakPolarHBondContact O-CB 3.39Å; E273-A277 PolarHBondContact O-N 3.24Å; S274-A277 PolarHBondContact O-N 3.46Å; A277-L280 PolarHBondContact O-N 3.07Å; A277-Q281 WeakPolarHBondContact O-CB 3.46Å; A277-Q281 PolarHBondContact O-N 2.93Å |
| 278 | K | 95.7 | Very high | 93.9 | Very high | 112 Ų | 112 | 103.2 Ų | 103.2 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -51.3 | 173.8 | -75.5 | 174 | -176.7 | -178.5 | 0 | 111.6 | S274 I275 L280 Q281 E282 | S274-K278 WeakPolarHBondContact O-CB 3.44Å; S274-K278 VanDerWaalsContact O-CG 3.29Å; S274-K278 WeakPolarHBondContact O-CG 3.44Å; S274-K278 PolarHBondContact O-N 3.28Å; I275-K278 PolarHBondContact O-N 3.42Å; K278-L280 VanDerWaalsContact C-N 3.27Å; K278-L280 PolarHBondContact O-N 3.41Å; K278-Q281 CarbonylContact O-C 3.58Å; K278-Q281 PolarHBondContact O-N 3.49Å; K278-E282 WeakPolarHBondContact O-CB 3.19Å; K278-E282 VanDerWaalsContact O-CG 3.23Å; K278-E282 WeakPolarHBondContact O-CG 3.28Å; K278-E282 PolarHBondContact O-N 3.03Å |
| 279 | N | 94.8 | Very high | 94.4 | Very high | 106 Ų | 106 | 102.5 Ų | 102.5 | 57% | 0.567 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.2 | -37.3 | -179.7 | -171.3 | -101 | 0 | 0 | 0 | 112.2 | I275 A283 | I275-N279 VanDerWaalsContact O-CB 3.27Å; I275-N279 WeakPolarHBondContact O-CB 3.44Å; I275-N279 PolarHBondContact O-N 3.12Å; N279-A283 WeakPolarHBondContact O-CB 3.42Å; N279-A283 PolarHBondContact O-N 3.1Å |
| 280 | L | 95.8 | Very high | 94.8 | Very high | 109 Ų | 109 | 99.2 Ų | 99.2 | 57% | 0.571 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.9 | -43.7 | 172.7 | -178.7 | 63 | 0 | 0 | 0 | 112.2 | A276 A277 K278 A283 E284 | A276-L280 WeakPolarHBondContact O-CB 3.29Å; A276-L280 PolarHBondContact O-N 2.99Å; A277-L280 PolarHBondContact O-N 3.07Å; K278-L280 VanDerWaalsContact C-N 3.27Å; K278-L280 PolarHBondContact O-N 3.41Å; L280-A283 PolarHBondContact O-N 2.97Å; L280-E284 WeakPolarHBondContact O-CB 3.3Å; L280-E284 PolarHBondContact O-N 2.97Å |
| 281 | Q | 96.4 | Very high | 95.2 | Very high | 111 Ų | 111 | 105.3 Ų | 105.3 | 52% | 0.519 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 176.6 | -178.5 | 178.4 | -16.3 | 0 | 0 | 111.9 | A277 K278 A283 E284 E285 | A277-Q281 WeakPolarHBondContact O-CB 3.46Å; A277-Q281 PolarHBondContact O-N 2.93Å; K278-Q281 CarbonylContact O-C 3.58Å; K278-Q281 PolarHBondContact O-N 3.49Å; Q281-A283 VanDerWaalsContact C-N 3.34Å; Q281-A283 PolarHBondContact O-N 3.35Å; Q281-E284 WeakPolarHBondContact O-CB 3.45Å; Q281-E284 PolarHBondContact O-N 2.87Å; Q281-E285 HydrophobicContact CG-CG 4.44Å; Q281-E285 VanDerWaalsContact CG-OE1 3.31Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.38Å; Q281-E285 PolarHBondContact NE2-OE1 3.29Å; Q281-E285 WeakPolarHBondContact O-CB 3.4Å; Q281-E285 WeakPolarHBondContact O-CG 3.47Å; Q281-E285 PolarHBondContact O-N 3.48Å |
| 282 | E | 95.3 | Very high | 95.5 | Very high | 111 Ų | 111 | 102 Ų | 102 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 175.7 | -71.6 | 158 | -168.4 | 0 | 0 | 110.9 | K278 E285 W286 | K278-E282 WeakPolarHBondContact O-CB 3.19Å; K278-E282 VanDerWaalsContact O-CG 3.23Å; K278-E282 WeakPolarHBondContact O-CG 3.28Å; K278-E282 PolarHBondContact O-N 3.03Å; E282-E285 PolarHBondContact O-N 3.06Å; E282-W286 VanDerWaalsContact O-CB 3.23Å; E282-W286 WeakPolarHBondContact O-CB 3.39Å; E282-W286 PolarHBondContact O-N 2.82Å |
| 283 | A | 94.8 | Very high | 95.7 | Very high | 34 Ų | 34 | 97.5 Ų | 97.5 | 28% | 0.281 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -45 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N279 L280 Q281 E285 W286 Y287 | N279-A283 WeakPolarHBondContact O-CB 3.42Å; N279-A283 PolarHBondContact O-N 3.1Å; L280-A283 PolarHBondContact O-N 2.97Å; Q281-A283 VanDerWaalsContact C-N 3.34Å; Q281-A283 PolarHBondContact O-N 3.35Å; A283-E285 PolarHBondContact O-N 3.32Å; A283-W286 PolarHBondContact O-N 3.11Å; A283-Y287 WeakPolarHBondContact O-CD2 3.48Å; A283-Y287 PolarHBondContact O-N 2.74Å |
| 284 | E | 96 | Very high | 95.9 | Very high | 95 Ų | 95 | 98.5 Ų | 98.5 | 44% | 0.444 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 174.7 | -90.7 | -163.4 | -145.9 | 0 | 0 | 112.4 | L280 Q281 Y287 K288 | L280-E284 WeakPolarHBondContact O-CB 3.3Å; L280-E284 PolarHBondContact O-N 2.97Å; Q281-E284 WeakPolarHBondContact O-CB 3.45Å; Q281-E284 PolarHBondContact O-N 2.87Å; E284-Y287 PolarHBondContact O-N 2.75Å; E284-K288 WeakPolarHBondContact O-CB 3.23Å; E284-K288 VanDerWaalsContact O-CD 3.27Å; E284-K288 WeakPolarHBondContact O-CD 3.37Å; E284-K288 WeakPolarHBondContact O-CG 3.08Å; E284-K288 PolarHBondContact O-N 3.06Å; E284-K288 WeakPolarHBondContact OE2-CE 3.44Å; E284-K288 IonicContact OE2-NZ 3.18Å; E284-K288 PolarHBondContact OE2-NZ 3.38Å |
| 285 | E | 96.2 | Very high | 96 | Very high | 101 Ų | 101 | 98.2 Ų | 98.2 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.8 | -38.8 | 178.2 | -73.7 | 175.8 | -165.7 | 0 | 0 | 111.5 | Q281 E282 A283 K288 S289 | Q281-E285 HydrophobicContact CG-CG 4.44Å; Q281-E285 VanDerWaalsContact CG-OE1 3.31Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.38Å; Q281-E285 PolarHBondContact NE2-OE1 3.29Å; Q281-E285 WeakPolarHBondContact O-CB 3.4Å; Q281-E285 WeakPolarHBondContact O-CG 3.47Å; Q281-E285 PolarHBondContact O-N 3.48Å; E282-E285 PolarHBondContact O-N 3.06Å; A283-E285 PolarHBondContact O-N 3.32Å; E285-K288 PolarHBondContact O-N 2.91Å; E285-S289 VanDerWaalsContact O-CB 3.22Å; E285-S289 WeakPolarHBondContact O-CB 3.25Å; E285-S289 PolarHBondContact O-N 3.47Å |
| 286 | W | 96.6 | Very high | 96.2 | Very high | 152 Ų | 152 | 96.9 Ų | 96.9 | 58% | 0.576 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.5 | -45.1 | 172.2 | -172.8 | 94 | 0 | 0 | 0 | 112.2 | E282 A283 S289 K290 | E282-W286 VanDerWaalsContact O-CB 3.23Å; E282-W286 WeakPolarHBondContact O-CB 3.39Å; E282-W286 PolarHBondContact O-N 2.82Å; A283-W286 PolarHBondContact O-N 3.11Å; W286-S289 PolarHBondContact O-N 3.08Å; W286-K290 HydrophobicContact CD2-CG 4.27Å; W286-K290 HydrophobicContact CE3-CG 4.38Å; W286-K290 HydrophobicContact CH2-CG 4.23Å; W286-K290 HydrophobicContact CZ2-CG 4.11Å; W286-K290 HydrophobicContact CZ3-CG 4.36Å; W286-K290 WeakPolarHBondContact O-CB 3.48Å; W286-K290 PolarHBondContact O-N 3.39Å |
| 287 | Y | 97.1 | Very high | 96.3 | Very high | 155 Ų | 155 | 96.6 Ų | 96.6 | 61% | 0.608 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.8 | -41 | 175.4 | -78.4 | -61.3 | 0 | 0 | 0 | 112.4 | A283 E284 K290 Y291 | A283-Y287 WeakPolarHBondContact O-CD2 3.48Å; A283-Y287 PolarHBondContact O-N 2.74Å; E284-Y287 PolarHBondContact O-N 2.75Å; Y287-K290 PolarHBondContact O-N 3.32Å; Y287-Y291 WeakPolarHBondContact O-CB 3.34Å; Y287-Y291 PolarHBondContact O-N 3.31Å |
| 288 | K | 97.7 | Very high | 96.4 | Very high | 118 Ų | 118 | 96.5 Ų | 96.5 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 174.6 | -71.7 | 159.2 | -163.8 | 166.1 | 0 | 110.9 | E284 E285 Y291 A292 | E284-K288 WeakPolarHBondContact O-CB 3.23Å; E284-K288 VanDerWaalsContact O-CD 3.27Å; E284-K288 WeakPolarHBondContact O-CD 3.37Å; E284-K288 WeakPolarHBondContact O-CG 3.08Å; E284-K288 PolarHBondContact O-N 3.06Å; E284-K288 WeakPolarHBondContact OE2-CE 3.44Å; E284-K288 IonicContact OE2-NZ 3.18Å; E284-K288 PolarHBondContact OE2-NZ 3.38Å; E285-K288 PolarHBondContact O-N 2.91Å; K288-Y291 PolarHBondContact O-N 2.84Å; K288-A292 WeakPolarHBondContact O-CB 3.47Å; K288-A292 PolarHBondContact O-N 3.14Å |
| 289 | S | 97.5 | Very high | 96.5 | Very high | 66 Ų | 66 | 95.3 Ų | 95.3 | 46% | 0.462 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.3 | -49.3 | 176.1 | -174 | 0 | 0 | 0 | 0 | 111.7 | E285 W286 Y291 A292 D293 | E285-S289 VanDerWaalsContact O-CB 3.22Å; E285-S289 WeakPolarHBondContact O-CB 3.25Å; E285-S289 PolarHBondContact O-N 3.47Å; W286-S289 PolarHBondContact O-N 3.08Å; S289-Y291 VanDerWaalsContact C-N 3.33Å; S289-Y291 PolarHBondContact O-N 2.99Å; S289-A292 WeakPolarHBondContact O-CB 3.3Å; S289-A292 PolarHBondContact O-N 2.72Å; S289-A292 VanDerWaalsContact O-N 3.12Å; S289-D293 PolarHBondContact O-N 2.75Å |
| 290 | K | 97.4 | Very high | 96.5 | Very high | 91 Ų | 91 | 97.3 Ų | 97.3 | 40% | 0.396 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.9 | -31.5 | 177.1 | -77.9 | -74.1 | 159.9 | -125.4 | 0 | 113.6 | W286 Y287 D293 L294 | W286-K290 HydrophobicContact CD2-CG 4.27Å; W286-K290 HydrophobicContact CE3-CG 4.38Å; W286-K290 HydrophobicContact CH2-CG 4.23Å; W286-K290 HydrophobicContact CZ2-CG 4.11Å; W286-K290 HydrophobicContact CZ3-CG 4.36Å; W286-K290 WeakPolarHBondContact O-CB 3.48Å; W286-K290 PolarHBondContact O-N 3.39Å; Y287-K290 PolarHBondContact O-N 3.32Å; K290-D293 IonicContact NZ-OD2 3Å; K290-D293 PolarHBondContact NZ-OD2 2.95Å; K290-L294 WeakPolarHBondContact O-CB 3.44Å; K290-L294 VanDerWaalsContact O-CG 3.26Å; K290-L294 WeakPolarHBondContact O-CG 3.47Å; K290-L294 PolarHBondContact O-N 3.25Å; K290-L294 VanDerWaalsContact O-N 3.13Å |
| 291 | Y | 97.2 | Very high | 96.6 | Very high | 182 Ų | 182 | 97.6 Ų | 97.6 | 71% | 0.714 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -69 | -40 | 171.8 | -169 | -87.6 | 0 | 0 | 0 | 111.6 | Y287 K288 S289 L294 S295 | Y287-Y291 WeakPolarHBondContact O-CB 3.34Å; Y287-Y291 PolarHBondContact O-N 3.31Å; K288-Y291 PolarHBondContact O-N 2.84Å; S289-Y291 VanDerWaalsContact C-N 3.33Å; S289-Y291 PolarHBondContact O-N 2.99Å; Y291-L294 PolarHBondContact O-N 3.17Å; Y291-S295 VanDerWaalsContact O-CB 3.27Å; Y291-S295 WeakPolarHBondContact O-CB 3.35Å; Y291-S295 PolarHBondContact O-N 2.93Å |
| 292 | A | 97.4 | Very high | 96.6 | Very high | 52 Ų | 52 | 98.7 Ų | 98.7 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.1 | -49.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K288 S289 L294 S295 D296 | K288-A292 WeakPolarHBondContact O-CB 3.47Å; K288-A292 PolarHBondContact O-N 3.14Å; S289-A292 WeakPolarHBondContact O-CB 3.3Å; S289-A292 PolarHBondContact O-N 2.72Å; S289-A292 VanDerWaalsContact O-N 3.12Å; A292-L294 VanDerWaalsContact C-N 3.31Å; A292-L294 PolarHBondContact O-N 2.9Å; A292-S295 PolarHBondContact O-N 3.09Å; A292-D296 WeakPolarHBondContact O-CB 3.28Å; A292-D296 PolarHBondContact O-N 3.46Å |
| 293 | D | 96.6 | Very high | 96.7 | Very high | 76 Ų | 76 | 99 Ų | 99 | 41% | 0.406 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -50.3 | -49.1 | 174.8 | -77.6 | -24 | 0 | 0 | 0 | 112.3 | S289 K290 A297 | S289-D293 PolarHBondContact O-N 2.75Å; K290-D293 IonicContact NZ-OD2 3Å; K290-D293 PolarHBondContact NZ-OD2 2.95Å; D293-A297 VanDerWaalsContact O-CB 3.28Å; D293-A297 WeakPolarHBondContact O-CB 3.42Å; D293-A297 PolarHBondContact O-N 2.79Å |
| 294 | L | 95.9 | Very high | 96.6 | Very high | 124 Ų | 124 | 99.7 Ų | 99.7 | 65% | 0.649 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.3 | -40.6 | -178.4 | -72.3 | 170.8 | 0 | 0 | 0 | 112.2 | K290 Y291 A292 A298 | K290-L294 WeakPolarHBondContact O-CB 3.44Å; K290-L294 VanDerWaalsContact O-CG 3.26Å; K290-L294 WeakPolarHBondContact O-CG 3.47Å; K290-L294 PolarHBondContact O-N 3.25Å; K290-L294 VanDerWaalsContact O-N 3.13Å; Y291-L294 PolarHBondContact O-N 3.17Å; A292-L294 VanDerWaalsContact C-N 3.31Å; A292-L294 PolarHBondContact O-N 2.9Å; L294-A298 VanDerWaalsContact O-CB 3.32Å; L294-A298 WeakPolarHBondContact O-CB 3.26Å; L294-A298 PolarHBondContact O-N 3.38Å |
| 295 | S | 97 | Very high | 96.6 | Very high | 49 Ų | 49 | 99 Ų | 99 | 34% | 0.343 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 174 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | Y291 A292 A298 N299 | Y291-S295 VanDerWaalsContact O-CB 3.27Å; Y291-S295 WeakPolarHBondContact O-CB 3.35Å; Y291-S295 PolarHBondContact O-N 2.93Å; A292-S295 PolarHBondContact O-N 3.09Å; S295-A298 PolarHBondContact O-N 3.43Å; S295-N299 WeakPolarHBondContact O-CB 3.32Å; S295-N299 PolarHBondContact O-N 2.9Å; S295-N299 PolarHBondContact O-ND2 3.35Å |
| 296 | D | 97.4 | Very high | 96.6 | Very high | 71 Ų | 71 | 100.3 Ų | 100.3 | 38% | 0.38 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 178.5 | -100.3 | 25.9 | 0 | 0 | 0 | 112.6 | A292 N299 R300 | A292-D296 WeakPolarHBondContact O-CB 3.28Å; A292-D296 PolarHBondContact O-N 3.46Å; D296-N299 PolarHBondContact O-N 2.81Å; D296-R300 VanDerWaalsContact O-CG 3.31Å; D296-R300 WeakPolarHBondContact O-CG 3.45Å; D296-R300 PolarHBondContact O-N 3.45Å; D296-R300 IonicContact OD2-CZ 2.73Å; D296-R300 IonicContact OD2-NH1 2.63Å; D296-R300 IonicContact OD2-NH2 2.65Å; D296-R300 PolarHBondContact OD2-NH2 2.92Å |
| 297 | A | 95.8 | Very high | 96.5 | Very high | 54 Ų | 54 | 97.8 Ų | 97.8 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D293 N301 | D293-A297 VanDerWaalsContact O-CB 3.28Å; D293-A297 WeakPolarHBondContact O-CB 3.42Å; D293-A297 PolarHBondContact O-N 2.79Å; A297-N301 WeakPolarHBondContact O-CB 3.39Å; A297-N301 PolarHBondContact O-N 3.42Å |
| 298 | A | 96.4 | Very high | 96.2 | Very high | 58 Ų | 58 | 92.7 Ų | 92.7 | 48% | 0.479 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | L294 S295 N301 H302 | L294-A298 VanDerWaalsContact O-CB 3.32Å; L294-A298 WeakPolarHBondContact O-CB 3.26Å; L294-A298 PolarHBondContact O-N 3.38Å; S295-A298 PolarHBondContact O-N 3.43Å; A298-N301 PolarHBondContact O-N 3.1Å; A298-H302 WeakPolarHBondContact O-CB 3.44Å; A298-H302 PolarHBondContact O-N 2.92Å |
| 299 | N | 96.9 | Very high | 96.1 | Very high | 86 Ų | 86 | 92.1 Ų | 92.1 | 46% | 0.46 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.7 | -49.9 | 176 | -71.8 | -27.6 | 0 | 0 | 0 | 111.5 | S295 D296 N301 H302 E303 | S295-N299 WeakPolarHBondContact O-CB 3.32Å; S295-N299 PolarHBondContact O-N 2.9Å; S295-N299 PolarHBondContact O-ND2 3.35Å; D296-N299 PolarHBondContact O-N 2.81Å; N299-N301 VanDerWaalsContact C-N 3.31Å; N299-N301 PolarHBondContact O-N 3.46Å; N299-H302 WeakPolarHBondContact O-CB 3.46Å; N299-H302 PolarHBondContact O-N 3.5Å; N299-H302 VanDerWaalsContact O-N 3.08Å; N299-E303 WeakPolarHBondContact O-CG 3.25Å; N299-E303 PolarHBondContact O-N 3.17Å |
| 300 | R | 95.9 | Very high | 95.9 | Very high | 149 Ų | 149 | 93.8 Ų | 93.8 | 56% | 0.562 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.2 | -39.9 | 176.7 | -70.1 | 171.7 | -167.8 | 118.4 | 18.7 | 112.4 | D296 E303 A304 | D296-R300 VanDerWaalsContact O-CG 3.31Å; D296-R300 WeakPolarHBondContact O-CG 3.45Å; D296-R300 PolarHBondContact O-N 3.45Å; D296-R300 IonicContact OD2-CZ 2.73Å; D296-R300 IonicContact OD2-NH1 2.63Å; D296-R300 IonicContact OD2-NH2 2.65Å; D296-R300 PolarHBondContact OD2-NH2 2.92Å; R300-E303 PolarHBondContact O-N 2.91Å; R300-A304 WeakPolarHBondContact O-CB 3.37Å; R300-A304 PolarHBondContact O-N 2.9Å |
| 301 | N | 96.1 | Very high | 95.6 | Very high | 114 Ų | 114 | 95.2 Ų | 95.2 | 61% | 0.61 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.6 | -43.9 | 174.2 | -170.2 | -56.9 | 0 | 0 | 0 | 111.3 | A297 A298 N299 E303 A304 L305 | A297-N301 WeakPolarHBondContact O-CB 3.39Å; A297-N301 PolarHBondContact O-N 3.42Å; A298-N301 PolarHBondContact O-N 3.1Å; N299-N301 VanDerWaalsContact C-N 3.31Å; N299-N301 PolarHBondContact O-N 3.46Å; N301-E303 VanDerWaalsContact C-N 3.35Å; N301-E303 PolarHBondContact O-N 3.49Å; N301-A304 PolarHBondContact O-N 2.92Å; N301-L305 VanDerWaalsContact O-CB 3.3Å; N301-L305 WeakPolarHBondContact O-CB 3.06Å; N301-L305 PolarHBondContact O-N 3.25Å |
| 302 | H | 97.1 | Very high | 95.5 | Very high | 134 Ų | 134 | 92.3 Ų | 92.3 | 62% | 0.62 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63 | -40.3 | 176.8 | -146.1 | 133 | 0 | 0 | 0 | 111.9 | A298 N299 R306 | A298-H302 WeakPolarHBondContact O-CB 3.44Å; A298-H302 PolarHBondContact O-N 2.92Å; N299-H302 WeakPolarHBondContact O-CB 3.46Å; N299-H302 PolarHBondContact O-N 3.5Å; N299-H302 VanDerWaalsContact O-N 3.08Å; H302-R306 VanDerWaalsContact O-CB 3.3Å; H302-R306 WeakPolarHBondContact O-CB 3.26Å; H302-R306 PolarHBondContact O-N 2.84Å |
| 303 | E | 96.7 | Very high | 95.3 | Very high | 117 Ų | 117 | 93.5 Ų | 93.5 | 55% | 0.547 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.3 | -45.2 | 176 | -72.3 | -177 | 154.7 | 0 | 0 | 112.5 | N299 R300 N301 L305 R306 Q307 | N299-E303 WeakPolarHBondContact O-CG 3.25Å; N299-E303 PolarHBondContact O-N 3.17Å; R300-E303 PolarHBondContact O-N 2.91Å; N301-E303 VanDerWaalsContact C-N 3.35Å; N301-E303 PolarHBondContact O-N 3.49Å; E303-L305 PolarHBondContact O-N 2.79Å; E303-R306 CarbonylContact O-C 3.53Å; E303-R306 WeakPolarHBondContact O-CA 3.43Å; E303-R306 WeakPolarHBondContact O-CB 3.3Å; E303-R306 PolarHBondContact O-N 3.04Å; E303-R306 VanDerWaalsContact O-N 3.09Å; E303-Q307 WeakPolarHBondContact O-CG 3.36Å; E303-Q307 PolarHBondContact O-N 3.03Å |
| 304 | A | 93.6 | Very high | 95.1 | Very high | 50 Ų | 50 | 94.5 Ų | 94.5 | 41% | 0.413 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R300 N301 R306 Q307 A308 | R300-A304 WeakPolarHBondContact O-CB 3.37Å; R300-A304 PolarHBondContact O-N 2.9Å; N301-A304 PolarHBondContact O-N 2.92Å; A304-R306 VanDerWaalsContact C-N 3.25Å; A304-R306 PolarHBondContact O-N 3.31Å; A304-Q307 PolarHBondContact O-N 2.74Å; A304-A308 WeakPolarHBondContact O-CB 3.47Å; A304-A308 PolarHBondContact O-N 2.85Å |
| 305 | L | 96.1 | Very high | 94.6 | Very high | 80 Ų | 80 | 91.3 Ų | 91.3 | 42% | 0.419 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63 | -32.2 | 173.7 | -177.6 | 63.2 | 0 | 0 | 0 | 112.1 | N301 E303 K309 | N301-L305 VanDerWaalsContact O-CB 3.3Å; N301-L305 WeakPolarHBondContact O-CB 3.06Å; N301-L305 PolarHBondContact O-N 3.25Å; E303-L305 PolarHBondContact O-N 2.79Å; L305-K309 HydrophobicContact CG-CD 4.35Å; L305-K309 WeakPolarHBondContact O-CB 3.45Å; L305-K309 WeakPolarHBondContact O-CD 3.36Å; L305-K309 WeakPolarHBondContact O-CG 3.29Å; L305-K309 PolarHBondContact O-N 3.27Å |
| 306 | R | 97.1 | Very high | 94.3 | Very high | 128 Ų | 128 | 96.5 Ų | 96.5 | 48% | 0.483 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.4 | -40.5 | 175.4 | -161.7 | -164.9 | 68.5 | 63.6 | 22.2 | 111.3 | H302 E303 A304 K309 Q310 | H302-R306 VanDerWaalsContact O-CB 3.3Å; H302-R306 WeakPolarHBondContact O-CB 3.26Å; H302-R306 PolarHBondContact O-N 2.84Å; E303-R306 CarbonylContact O-C 3.53Å; E303-R306 WeakPolarHBondContact O-CA 3.43Å; E303-R306 WeakPolarHBondContact O-CB 3.3Å; E303-R306 PolarHBondContact O-N 3.04Å; E303-R306 VanDerWaalsContact O-N 3.09Å; A304-R306 VanDerWaalsContact C-N 3.25Å; A304-R306 PolarHBondContact O-N 3.31Å; R306-K309 PolarHBondContact O-N 3.05Å; R306-Q310 VanDerWaalsContact NH1-CD 3.31Å; R306-Q310 WeakPolarHBondContact O-CG 3.48Å; R306-Q310 PolarHBondContact O-N 3.32Å |
| 307 | Q | 93.9 | Very high | 94.1 | Very high | 99 Ų | 99 | 100.6 Ų | 100.6 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -53.5 | 175 | -74 | 165.7 | -26.3 | 0 | 0 | 111.4 | E303 A304 K309 Q310 E311 | E303-Q307 WeakPolarHBondContact O-CG 3.36Å; E303-Q307 PolarHBondContact O-N 3.03Å; A304-Q307 PolarHBondContact O-N 2.74Å; Q307-K309 PolarHBondContact O-N 3.39Å; Q307-Q310 WeakPolarHBondContact O-CA 3.45Å; Q307-Q310 WeakPolarHBondContact O-CB 3.45Å; Q307-Q310 PolarHBondContact O-N 3.03Å; Q307-E311 PolarHBondContact O-N 3.12Å |
| 308 | A | 90.4 | Very high | 93.9 | Very high | 49 Ų | 49 | 103.2 Ų | 103.2 | 41% | 0.405 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.7 | -34.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A304 M312 | A304-A308 WeakPolarHBondContact O-CB 3.47Å; A304-A308 PolarHBondContact O-N 2.85Å; A308-M312 VanDerWaalsContact O-CB 3.27Å; A308-M312 WeakPolarHBondContact O-CB 3.35Å; A308-M312 PolarHBondContact O-N 3.4Å |
| 309 | K | 94.8 | Very high | 93.6 | Very high | 106 Ų | 106 | 105.6 Ų | 105.6 | 46% | 0.461 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.2 | -32.1 | 171.3 | -77.8 | 170.5 | -176.1 | 170.2 | 0 | 113.2 | L305 R306 Q307 N313 | L305-K309 HydrophobicContact CG-CD 4.35Å; L305-K309 WeakPolarHBondContact O-CB 3.45Å; L305-K309 WeakPolarHBondContact O-CD 3.36Å; L305-K309 WeakPolarHBondContact O-CG 3.29Å; L305-K309 PolarHBondContact O-N 3.27Å; R306-K309 PolarHBondContact O-N 3.05Å; Q307-K309 PolarHBondContact O-N 3.39Å; K309-N313 PolarHBondContact O-N 3.01Å; K309-N313 PolarHBondContact O-ND2 3.27Å |
| 310 | Q | 94.6 | Very high | 93.3 | Very high | 100 Ų | 100 | 106.3 Ų | 106.3 | 47% | 0.467 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.4 | -49.5 | 172.2 | -72 | -173.7 | -84.8 | 0 | 0 | 110.6 | R306 Q307 M312 N313 E314 | R306-Q310 VanDerWaalsContact NH1-CD 3.31Å; R306-Q310 WeakPolarHBondContact O-CG 3.48Å; R306-Q310 PolarHBondContact O-N 3.32Å; Q307-Q310 WeakPolarHBondContact O-CA 3.45Å; Q307-Q310 WeakPolarHBondContact O-CB 3.45Å; Q307-Q310 PolarHBondContact O-N 3.03Å; Q310-M312 PolarHBondContact O-N 3.01Å; Q310-N313 CarbonylContact O-C 3.55Å; Q310-N313 WeakPolarHBondContact O-CA 3.45Å; Q310-N313 WeakPolarHBondContact O-CB 3.49Å; Q310-N313 PolarHBondContact O-N 3.21Å; Q310-E314 PolarHBondContact O-N 2.87Å |
| 311 | E | 91.2 | Very high | 92.9 | Very high | 122 Ų | 122 | 102.1 Ų | 102.1 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -56.8 | -47.7 | 178.6 | -69.5 | 159.7 | -166.4 | 0 | 0 | 111.8 | Q307 N313 E314 S315 | Q307-E311 PolarHBondContact O-N 3.12Å; E311-N313 VanDerWaalsContact C-N 3.25Å; E311-N313 PolarHBondContact O-N 2.85Å; E311-E314 WeakPolarHBondContact O-CA 3.5Å; E311-E314 WeakPolarHBondContact O-CB 3.39Å; E311-E314 PolarHBondContact O-N 3.05Å; E311-S315 PolarHBondContact O-N 3.42Å; E311-S315 PolarHBondContact O-OG 2.92Å |
| 312 | M | 93.9 | Very high | 92.3 | Very high | 121 Ų | 121 | 101.6 Ų | 101.6 | 60% | 0.596 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -56.5 | -37.5 | 173.9 | -179.8 | -173.5 | 65.5 | 0 | 0 | 112.8 | A308 Q310 R316 | A308-M312 VanDerWaalsContact O-CB 3.27Å; A308-M312 WeakPolarHBondContact O-CB 3.35Å; A308-M312 PolarHBondContact O-N 3.4Å; Q310-M312 PolarHBondContact O-N 3.01Å; M312-R316 VanDerWaalsContact O-CB 3.29Å; M312-R316 WeakPolarHBondContact O-CB 3.29Å; M312-R316 PolarHBondContact O-N 3.42Å |
| 313 | N | 92.8 | Very high | 91.8 | Very high | 77 Ų | 77 | 98.5 Ų | 98.5 | 41% | 0.412 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -76 | -32.6 | 176.2 | -80.5 | -65 | 0 | 0 | 0 | 112.4 | K309 Q310 E311 R317 | K309-N313 PolarHBondContact O-N 3.01Å; K309-N313 PolarHBondContact O-ND2 3.27Å; Q310-N313 CarbonylContact O-C 3.55Å; Q310-N313 WeakPolarHBondContact O-CA 3.45Å; Q310-N313 WeakPolarHBondContact O-CB 3.49Å; Q310-N313 PolarHBondContact O-N 3.21Å; E311-N313 VanDerWaalsContact C-N 3.25Å; E311-N313 PolarHBondContact O-N 2.85Å; N313-R317 VanDerWaalsContact O-CG 3.29Å; N313-R317 WeakPolarHBondContact O-CG 3.1Å; N313-R317 PolarHBondContact O-N 3.45Å |
| 314 | E | 93.6 | Very high | 91.5 | Very high | 97 Ų | 97 | 97.3 Ų | 97.3 | 45% | 0.453 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -53.7 | 172.6 | -155.5 | 76.7 | -108.9 | 0 | 0 | 110.2 | Q310 E311 R316 R317 Q318 | Q310-E314 PolarHBondContact O-N 2.87Å; E311-E314 WeakPolarHBondContact O-CA 3.5Å; E311-E314 WeakPolarHBondContact O-CB 3.39Å; E311-E314 PolarHBondContact O-N 3.05Å; E314-R316 VanDerWaalsContact C-N 3.29Å; E314-R316 PolarHBondContact O-N 3.25Å; E314-R317 WeakPolarHBondContact O-CB 3.15Å; E314-R317 PolarHBondContact O-N 3.15Å; E314-Q318 WeakPolarHBondContact O-CG 3.48Å; E314-Q318 PolarHBondContact O-N 2.9Å |
| 315 | S | 85.1 | Confident | 91.4 | Very high | 57 Ų | 57 | 99.7 Ų | 99.7 | 40% | 0.399 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.7 | -39.6 | 175.8 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | E311 R317 Q318 I319 | E311-S315 PolarHBondContact O-N 3.42Å; E311-S315 PolarHBondContact O-OG 2.92Å; S315-R317 VanDerWaalsContact C-N 3.35Å; S315-R317 PolarHBondContact O-N 3.41Å; S315-Q318 PolarHBondContact O-N 2.99Å; S315-I319 WeakPolarHBondContact O-CB 3.29Å; S315-I319 WeakPolarHBondContact O-CD1 3.37Å; S315-I319 VanDerWaalsContact O-CG1 3.26Å; S315-I319 WeakPolarHBondContact O-CG1 3.27Å; S315-I319 PolarHBondContact O-N 2.92Å |
| 316 | R | 90.9 | Very high | 90.9 | Very high | 157 Ų | 157 | 99 Ų | 99 | 59% | 0.592 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.8 | -39.7 | 174.2 | 179.3 | 174.6 | 173.4 | 152.5 | 0.3 | 112.5 | M312 E314 Q320 | M312-R316 VanDerWaalsContact O-CB 3.29Å; M312-R316 WeakPolarHBondContact O-CB 3.29Å; M312-R316 PolarHBondContact O-N 3.42Å; E314-R316 VanDerWaalsContact C-N 3.29Å; E314-R316 PolarHBondContact O-N 3.25Å; R316-Q320 VanDerWaalsContact O-CG 3.31Å; R316-Q320 WeakPolarHBondContact O-CG 3.46Å; R316-Q320 PolarHBondContact O-N 3.11Å; R316-Q320 VanDerWaalsContact O-N 3.08Å |
| 317 | R | 93.4 | Very high | 90.6 | Very high | 158 Ų | 158 | 96.6 Ų | 96.6 | 60% | 0.596 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68 | -41.2 | 175.1 | -71.4 | 164.1 | 178.7 | 172.1 | -1.4 | 111.8 | N313 E314 S315 Q320 S321 | N313-R317 VanDerWaalsContact O-CG 3.29Å; N313-R317 WeakPolarHBondContact O-CG 3.1Å; N313-R317 PolarHBondContact O-N 3.45Å; E314-R317 WeakPolarHBondContact O-CB 3.15Å; E314-R317 PolarHBondContact O-N 3.15Å; S315-R317 VanDerWaalsContact C-N 3.35Å; S315-R317 PolarHBondContact O-N 3.41Å; R317-Q320 PolarHBondContact O-N 2.85Å; R317-S321 PolarHBondContact O-N 2.93Å |
| 318 | Q | 91.4 | Very high | 90.3 | Very high | 109 Ų | 109 | 93.9 Ų | 93.9 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 175.8 | -68.8 | 168 | -1.3 | 0 | 0 | 111.1 | E314 S315 Q320 S321 L322 | E314-Q318 WeakPolarHBondContact O-CG 3.48Å; E314-Q318 PolarHBondContact O-N 2.9Å; S315-Q318 PolarHBondContact O-N 2.99Å; Q318-Q320 VanDerWaalsContact C-N 3.29Å; Q318-Q320 PolarHBondContact O-N 3.43Å; Q318-S321 PolarHBondContact O-N 3.31Å; Q318-L322 WeakPolarHBondContact O-CB 3.5Å; Q318-L322 WeakPolarHBondContact O-CG 3.32Å; Q318-L322 PolarHBondContact O-N 2.91Å |
| 319 | I | 89.4 | Confident | 89.9 | Confident | 108 Ų | 108 | 97.3 Ų | 97.3 | 55% | 0.554 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -56.7 | -43.2 | 173.6 | -69.4 | 163.5 | 0 | 0 | 0 | 110.9 | S315 T323 | S315-I319 WeakPolarHBondContact O-CB 3.29Å; S315-I319 WeakPolarHBondContact O-CD1 3.37Å; S315-I319 VanDerWaalsContact O-CG1 3.26Å; S315-I319 WeakPolarHBondContact O-CG1 3.27Å; S315-I319 PolarHBondContact O-N 2.92Å; I319-T323 WeakPolarHBondContact O-CB 3.48Å; I319-T323 PolarHBondContact O-N 3.48Å; I319-T323 PolarHBondContact O-OG1 2.89Å |
| 320 | Q | 91.1 | Very high | 89.6 | Confident | 101 Ų | 101 | 99.3 Ų | 99.3 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 177.4 | -74.4 | 177.4 | -34.4 | 0 | 0 | 112.8 | R316 R317 Q318 T323 C324 | R316-Q320 VanDerWaalsContact O-CG 3.31Å; R316-Q320 WeakPolarHBondContact O-CG 3.46Å; R316-Q320 PolarHBondContact O-N 3.11Å; R316-Q320 VanDerWaalsContact O-N 3.08Å; R317-Q320 PolarHBondContact O-N 2.85Å; Q318-Q320 VanDerWaalsContact C-N 3.29Å; Q318-Q320 PolarHBondContact O-N 3.43Å; Q320-T323 PolarHBondContact O-N 3.12Å; Q320-C324 PolarHBondContact O-N 3.27Å; Q320-C324 PolarHBondContact O-SG 3.36Å |
| 321 | S | 88.4 | Confident | 89.3 | Confident | 61 Ų | 61 | 96.3 Ų | 96.3 | 43% | 0.427 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -53.3 | 175.1 | -160.9 | 0 | 0 | 0 | 0 | 111 | R317 Q318 T323 C324 E325 | R317-S321 PolarHBondContact O-N 2.93Å; Q318-S321 PolarHBondContact O-N 3.31Å; S321-T323 VanDerWaalsContact C-N 3.27Å; S321-T323 PolarHBondContact O-N 2.89Å; S321-C324 WeakPolarHBondContact O-CB 3.13Å; S321-C324 PolarHBondContact O-N 3.11Å; S321-E325 VanDerWaalsContact C-OE1 3.24Å; S321-E325 WeakPolarHBondContact CB-OE1 3.4Å; S321-E325 WeakPolarHBondContact O-CG 3.35Å; S321-E325 PolarHBondContact O-N 2.98Å; S321-E325 PolarHBondContact OG-OE1 2.99Å |
| 322 | L | 82.4 | Confident | 89.2 | Confident | 102 Ų | 102 | 94.3 Ų | 94.3 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -34 | 179.9 | -67.4 | 171.4 | 0 | 0 | 0 | 112.6 | Q318 V326 | Q318-L322 WeakPolarHBondContact O-CB 3.5Å; Q318-L322 WeakPolarHBondContact O-CG 3.32Å; Q318-L322 PolarHBondContact O-N 2.91Å; L322-V326 WeakPolarHBondContact O-CB 3.41Å; L322-V326 VanDerWaalsContact O-CG2 3.24Å; L322-V326 WeakPolarHBondContact O-CG2 3.35Å; L322-V326 PolarHBondContact O-N 2.92Å |
| 323 | T | 86 | Confident | 88.7 | Confident | 70 Ų | 70 | 92.9 Ų | 92.9 | 43% | 0.429 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.7 | -49.3 | 172.9 | -54 | 0 | 0 | 0 | 0 | 110.6 | I319 Q320 S321 E325 V326 D327 | I319-T323 WeakPolarHBondContact O-CB 3.48Å; I319-T323 PolarHBondContact O-N 3.48Å; I319-T323 PolarHBondContact O-OG1 2.89Å; Q320-T323 PolarHBondContact O-N 3.12Å; S321-T323 VanDerWaalsContact C-N 3.27Å; S321-T323 PolarHBondContact O-N 2.89Å; T323-E325 VanDerWaalsContact C-N 3.3Å; T323-E325 PolarHBondContact O-N 2.93Å; T323-V326 PolarHBondContact O-N 3.25Å; T323-D327 PolarHBondContact O-N 3.25Å |
| 324 | C | 91.1 | Very high | 88.7 | Confident | 92 Ų | 92 | 94 Ų | 94 | 62% | 0.622 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.9 | -36.4 | 177 | -69.1 | 0 | 0 | 0 | 0 | 112.7 | Q320 S321 G328 | Q320-C324 PolarHBondContact O-N 3.27Å; Q320-C324 PolarHBondContact O-SG 3.36Å; S321-C324 WeakPolarHBondContact O-CB 3.13Å; S321-C324 PolarHBondContact O-N 3.11Å; C324-G328 PolarHBondContact O-N 3.27Å |
| 325 | E | 91.7 | Very high | 88.5 | Confident | 100 Ų | 100 | 91.3 Ų | 91.3 | 47% | 0.467 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.4 | -45.2 | 175.3 | -70.9 | 161.6 | -126.1 | 0 | 0 | 111.3 | S321 T323 G328 L329 | S321-E325 VanDerWaalsContact C-OE1 3.24Å; S321-E325 WeakPolarHBondContact CB-OE1 3.4Å; S321-E325 WeakPolarHBondContact O-CG 3.35Å; S321-E325 PolarHBondContact O-N 2.98Å; S321-E325 PolarHBondContact OG-OE1 2.99Å; T323-E325 VanDerWaalsContact C-N 3.3Å; T323-E325 PolarHBondContact O-N 2.93Å; E325-G328 PolarHBondContact O-N 3.35Å; E325-L329 WeakPolarHBondContact O-CB 3.31Å; E325-L329 VanDerWaalsContact O-CG 3.29Å; E325-L329 WeakPolarHBondContact O-CG 3.34Å; E325-L329 PolarHBondContact O-N 3.43Å |
| 326 | V | 86.6 | Confident | 88.7 | Confident | 65 Ų | 65 | 93.9 Ų | 93.9 | 39% | 0.394 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 175 | 164.5 | 0 | 0 | 0 | 0 | 111.6 | L322 T323 L329 R330 | L322-V326 WeakPolarHBondContact O-CB 3.41Å; L322-V326 VanDerWaalsContact O-CG2 3.24Å; L322-V326 WeakPolarHBondContact O-CG2 3.35Å; L322-V326 PolarHBondContact O-N 2.92Å; T323-V326 PolarHBondContact O-N 3.25Å; V326-L329 PolarHBondContact O-N 2.89Å; V326-R330 VanDerWaalsContact CG1-CZ 3.49Å; V326-R330 VanDerWaalsContact O-CG 3.28Å; V326-R330 WeakPolarHBondContact O-CG 3.43Å; V326-R330 PolarHBondContact O-N 3.22Å |
| 327 | D | 89.3 | Confident | 88.7 | Confident | 78 Ų | 78 | 89.8 Ų | 89.8 | 42% | 0.417 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.8 | -32 | 178.9 | -71.3 | -26 | 0 | 0 | 0 | 112.4 | T323 R330 G331 | T323-D327 PolarHBondContact O-N 3.25Å; D327-R330 PolarHBondContact O-N 3.28Å; D327-R330 WeakPolarHBondContact OD1-CD 3.16Å; D327-R330 IonicContact OD1-CZ 2.71Å; D327-R330 IonicContact OD1-NE 3.69Å; D327-R330 IonicContact OD1-NH1 3.61Å; D327-R330 PolarHBondContact OD1-NH1 2.88Å; D327-G331 PolarHBondContact O-N 3.46Å |
| 328 | G | 88.8 | Confident | 88.7 | Confident | 41 Ų | 41 | 88 Ų | 88 | 42% | 0.423 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C324 E325 G331 T332 | C324-G328 PolarHBondContact O-N 3.27Å; E325-G328 PolarHBondContact O-N 3.35Å; G328-G331 PolarHBondContact O-N 3.28Å; G328-T332 PolarHBondContact O-N 2.96Å; G328-T332 PolarHBondContact O-OG1 3.09Å |
| 329 | L | 82 | Confident | 88.9 | Confident | 121 Ų | 121 | 87.9 Ų | 87.9 | 63% | 0.634 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -68.5 | -33.8 | 176.3 | -71.9 | 171.7 | 0 | 0 | 0 | 112.7 | E325 V326 T332 N333 | E325-L329 WeakPolarHBondContact O-CB 3.31Å; E325-L329 VanDerWaalsContact O-CG 3.29Å; E325-L329 WeakPolarHBondContact O-CG 3.34Å; E325-L329 PolarHBondContact O-N 3.43Å; V326-L329 PolarHBondContact O-N 2.89Å; L329-T332 PolarHBondContact O-OG1 2.91Å; L329-N333 VanDerWaalsContact O-CB 3.23Å; L329-N333 WeakPolarHBondContact O-CB 3.43Å; L329-N333 PolarHBondContact O-N 2.89Å |
| 330 | R | 86.9 | Confident | 89 | Confident | 149 Ų | 149 | 86.8 Ų | 86.8 | 56% | 0.562 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62 | -49.1 | 168.7 | -74.9 | 163.7 | 172.6 | 165.6 | -1.7 | 110.6 | V326 D327 T332 N333 E334 | V326-R330 VanDerWaalsContact CG1-CZ 3.49Å; V326-R330 VanDerWaalsContact O-CG 3.28Å; V326-R330 WeakPolarHBondContact O-CG 3.43Å; V326-R330 PolarHBondContact O-N 3.22Å; D327-R330 PolarHBondContact O-N 3.28Å; D327-R330 WeakPolarHBondContact OD1-CD 3.16Å; D327-R330 IonicContact OD1-CZ 2.71Å; D327-R330 IonicContact OD1-NE 3.69Å; D327-R330 IonicContact OD1-NH1 3.61Å; D327-R330 PolarHBondContact OD1-NH1 2.88Å; R330-T332 PolarHBondContact O-N 3.26Å; R330-N333 PolarHBondContact O-N 3.48Å; R330-E334 WeakPolarHBondContact O-CG 3.4Å; R330-E334 PolarHBondContact O-N 3.06Å |
| 331 | G | 88.8 | Confident | 89.2 | Confident | 37 Ų | 37 | 88.5 Ų | 88.5 | 38% | 0.381 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.6 | -42.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D327 G328 A335 | D327-G331 PolarHBondContact O-N 3.46Å; G328-G331 PolarHBondContact O-N 3.28Å; G331-A335 WeakPolarHBondContact O-CB 3.45Å; G331-A335 PolarHBondContact O-N 3.19Å |
| 332 | T | 88.7 | Confident | 89.6 | Confident | 79 Ų | 79 | 90.3 Ų | 90.3 | 49% | 0.485 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.6 | -37.3 | 175.5 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | G328 L329 R330 A335 L336 | G328-T332 PolarHBondContact O-N 2.96Å; G328-T332 PolarHBondContact O-OG1 3.09Å; L329-T332 PolarHBondContact O-OG1 2.91Å; R330-T332 PolarHBondContact O-N 3.26Å; T332-A335 PolarHBondContact O-N 2.91Å; T332-L336 WeakPolarHBondContact O-CG 3.46Å; T332-L336 PolarHBondContact O-N 3.38Å |
| 333 | N | 84.8 | Confident | 90.1 | Very high | 92 Ų | 92 | 89.5 Ų | 89.5 | 49% | 0.492 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 174.4 | -172 | -82.2 | 0 | 0 | 0 | 111.5 | L329 R330 A335 L336 L337 | L329-N333 VanDerWaalsContact O-CB 3.23Å; L329-N333 WeakPolarHBondContact O-CB 3.43Å; L329-N333 PolarHBondContact O-N 2.89Å; R330-N333 PolarHBondContact O-N 3.48Å; N333-A335 VanDerWaalsContact C-N 3.31Å; N333-A335 PolarHBondContact O-N 3.23Å; N333-L336 PolarHBondContact O-N 3.42Å; N333-L337 WeakPolarHBondContact O-CG 3.01Å; N333-L337 PolarHBondContact O-N 3.05Å; N333-L337 VanDerWaalsContact OD1-CD1 3.31Å; N333-L337 WeakPolarHBondContact OD1-CD1 3.45Å |
| 334 | E | 91.4 | Very high | 90.5 | Very high | 99 Ų | 99 | 91.4 Ų | 91.4 | 46% | 0.463 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63 | -35.7 | 175.3 | -65.7 | -174.7 | -174.6 | 0 | 0 | 112.7 | R330 L337 R338 | R330-E334 WeakPolarHBondContact O-CG 3.4Å; R330-E334 PolarHBondContact O-N 3.06Å; E334-L337 PolarHBondContact O-N 3.28Å; E334-R338 WeakPolarHBondContact O-CG 3.48Å; E334-R338 PolarHBondContact O-N 2.84Å; E334-R338 PolarHBondContact O-NH1 3.47Å; E334-R338 IonicContact OE2-CZ 3.52Å; E334-R338 IonicContact OE2-NH1 3.04Å; E334-R338 PolarHBondContact OE2-NH1 3.25Å; E334-R338 VanDerWaalsContact OE2-NH1 3.15Å; E334-R338 IonicContact OE2-NH2 3.94Å; E334-R338 PolarHBondContact OE2-NH2 2.93Å |
| 335 | A | 91.1 | Very high | 90.8 | Very high | 42 Ų | 42 | 93.1 Ų | 93.1 | 35% | 0.347 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G331 T332 N333 L337 R338 Q339 | G331-A335 WeakPolarHBondContact O-CB 3.45Å; G331-A335 PolarHBondContact O-N 3.19Å; T332-A335 PolarHBondContact O-N 2.91Å; N333-A335 VanDerWaalsContact C-N 3.31Å; N333-A335 PolarHBondContact O-N 3.23Å; A335-L337 VanDerWaalsContact C-N 3.33Å; A335-L337 PolarHBondContact O-N 3.01Å; A335-R338 PolarHBondContact O-N 3.02Å; A335-Q339 WeakPolarHBondContact O-CG 3.42Å; A335-Q339 PolarHBondContact O-N 2.99Å |
| 336 | L | 88.4 | Confident | 91.1 | Very high | 110 Ų | 110 | 93.2 Ų | 93.2 | 58% | 0.576 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63 | -38 | 174.7 | -69.3 | 168.6 | 0 | 0 | 0 | 112.1 | T332 N333 Q339 L340 | T332-L336 WeakPolarHBondContact O-CG 3.46Å; T332-L336 PolarHBondContact O-N 3.38Å; N333-L336 PolarHBondContact O-N 3.42Å; L336-Q339 PolarHBondContact O-N 2.88Å; L336-L340 WeakPolarHBondContact O-CB 3.43Å; L336-L340 PolarHBondContact O-N 3.49Å |
| 337 | L | 91.1 | Very high | 91.5 | Very high | 71 Ų | 71 | 96.4 Ų | 96.4 | 37% | 0.372 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69 | -29.2 | 175 | -72.2 | 175.3 | 0 | 0 | 0 | 113.4 | N333 E334 A335 R341 | N333-L337 WeakPolarHBondContact O-CG 3.01Å; N333-L337 PolarHBondContact O-N 3.05Å; N333-L337 VanDerWaalsContact OD1-CD1 3.31Å; N333-L337 WeakPolarHBondContact OD1-CD1 3.45Å; E334-L337 PolarHBondContact O-N 3.28Å; A335-L337 VanDerWaalsContact C-N 3.33Å; A335-L337 PolarHBondContact O-N 3.01Å; L337-R341 WeakPolarHBondContact O-CD 3.39Å; L337-R341 WeakPolarHBondContact O-CG 3.21Å; L337-R341 PolarHBondContact O-N 3.08Å |
| 338 | R | 94.2 | Very high | 91.8 | Very high | 120 Ų | 120 | 95.9 Ų | 95.9 | 45% | 0.453 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.8 | -49.8 | 169.8 | -71.6 | 172.9 | -171.1 | 100.6 | 4 | 110.5 | E334 A335 L340 R341 E342 | E334-R338 WeakPolarHBondContact O-CG 3.48Å; E334-R338 PolarHBondContact O-N 2.84Å; E334-R338 PolarHBondContact O-NH1 3.47Å; E334-R338 IonicContact OE2-CZ 3.52Å; E334-R338 IonicContact OE2-NH1 3.04Å; E334-R338 PolarHBondContact OE2-NH1 3.25Å; E334-R338 VanDerWaalsContact OE2-NH1 3.15Å; E334-R338 IonicContact OE2-NH2 3.94Å; E334-R338 PolarHBondContact OE2-NH2 2.93Å; A335-R338 PolarHBondContact O-N 3.02Å; R338-L340 VanDerWaalsContact C-N 3.29Å; R338-L340 PolarHBondContact O-N 3.16Å; R338-R341 PolarHBondContact O-N 3.06Å; R338-R341 VanDerWaalsContact O-N 3.11Å; R338-E342 WeakPolarHBondContact O-CG 3.38Å; R338-E342 PolarHBondContact O-N 2.83Å |
| 339 | Q | 94.4 | Very high | 92.2 | Very high | 107 Ų | 107 | 100.4 Ų | 100.4 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.4 | -37.1 | 177.8 | -70.2 | -178.4 | -50.1 | 0 | 0 | 113 | A335 L336 E342 L343 | A335-Q339 WeakPolarHBondContact O-CG 3.42Å; A335-Q339 PolarHBondContact O-N 2.99Å; L336-Q339 PolarHBondContact O-N 2.88Å; Q339-E342 PolarHBondContact O-N 2.84Å; Q339-L343 VanDerWaalsContact O-CG 3.3Å; Q339-L343 WeakPolarHBondContact O-CG 3.29Å; Q339-L343 PolarHBondContact O-N 3.22Å |
| 340 | L | 92.4 | Very high | 92.9 | Very high | 86 Ų | 86 | 99.5 Ų | 99.5 | 45% | 0.45 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.4 | -48.4 | 174.3 | 179.7 | 60.9 | 0 | 0 | 0 | 111.4 | L336 R338 L343 E344 | L336-L340 WeakPolarHBondContact O-CB 3.43Å; L336-L340 PolarHBondContact O-N 3.49Å; R338-L340 VanDerWaalsContact C-N 3.29Å; R338-L340 PolarHBondContact O-N 3.16Å; L340-L343 PolarHBondContact O-N 3.38Å; L340-E344 HydrophobicContact CD1-CG 4.38Å; L340-E344 HydrophobicContact CG-CG 4.48Å; L340-E344 VanDerWaalsContact O-CG 3.31Å; L340-E344 WeakPolarHBondContact O-CG 3.13Å; L340-E344 PolarHBondContact O-N 3.41Å |
| 341 | R | 94.7 | Very high | 93.4 | Very high | 136 Ų | 136 | 94.4 Ų | 94.4 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 177.7 | -67.4 | 168.4 | -167.8 | 155.5 | 6.1 | 112.3 | L337 R338 L343 E344 E345 | L337-R341 WeakPolarHBondContact O-CD 3.39Å; L337-R341 WeakPolarHBondContact O-CG 3.21Å; L337-R341 PolarHBondContact O-N 3.08Å; R338-R341 PolarHBondContact O-N 3.06Å; R338-R341 VanDerWaalsContact O-N 3.11Å; R341-L343 PolarHBondContact O-N 2.95Å; R341-E344 PolarHBondContact O-N 3.35Å; R341-E345 WeakPolarHBondContact O-CB 3.17Å; R341-E345 WeakPolarHBondContact O-CG 3.44Å; R341-E345 PolarHBondContact O-N 2.89Å |
| 342 | E | 96.9 | Very high | 93.8 | Very high | 100 Ų | 100 | 94.3 Ų | 94.3 | 47% | 0.467 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59 | -37.5 | 175.5 | -72.2 | 163.2 | -155.2 | 0 | 0 | 111.4 | R338 Q339 Q346 | R338-E342 WeakPolarHBondContact O-CG 3.38Å; R338-E342 PolarHBondContact O-N 2.83Å; Q339-E342 PolarHBondContact O-N 2.84Å; E342-Q346 WeakPolarHBondContact O-CB 3.32Å; E342-Q346 VanDerWaalsContact O-CD 3.28Å; E342-Q346 WeakPolarHBondContact O-CG 3.14Å; E342-Q346 PolarHBondContact O-N 2.84Å; E342-Q346 VanDerWaalsContact O-N 3.09Å; E342-Q346 PolarHBondContact O-NE2 2.93Å |
| 343 | L | 93.9 | Very high | 94.3 | Very high | 84 Ų | 84 | 92.6 Ų | 92.6 | 44% | 0.44 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -74.1 | -41.3 | 174 | -70.5 | 169.5 | 0 | 0 | 0 | 112.5 | Q339 L340 R341 E345 Q346 F347 | Q339-L343 VanDerWaalsContact O-CG 3.3Å; Q339-L343 WeakPolarHBondContact O-CG 3.29Å; Q339-L343 PolarHBondContact O-N 3.22Å; L340-L343 PolarHBondContact O-N 3.38Å; R341-L343 PolarHBondContact O-N 2.95Å; L343-E345 VanDerWaalsContact C-N 3.34Å; L343-E345 PolarHBondContact O-N 3.14Å; L343-Q346 PolarHBondContact O-N 2.91Å; L343-F347 HydrophobicContact CB-CE2 4.39Å; L343-F347 WeakPolarHBondContact O-CD2 3.42Å; L343-F347 PolarHBondContact O-N 3.19Å |
| 344 | E | 94.1 | Very high | 94.8 | Very high | 110 Ų | 110 | 96.4 Ų | 96.4 | 51% | 0.514 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.9 | -43 | 174.7 | -72.4 | 168.4 | 161.4 | 0 | 0 | 111.4 | L340 R341 A348 | L340-E344 HydrophobicContact CD1-CG 4.38Å; L340-E344 HydrophobicContact CG-CG 4.48Å; L340-E344 VanDerWaalsContact O-CG 3.31Å; L340-E344 WeakPolarHBondContact O-CG 3.13Å; L340-E344 PolarHBondContact O-N 3.41Å; R341-E344 PolarHBondContact O-N 3.35Å; E344-A348 VanDerWaalsContact O-CB 3.31Å; E344-A348 WeakPolarHBondContact O-CB 3.3Å; E344-A348 PolarHBondContact O-N 2.85Å |
| 345 | E | 96.9 | Very high | 95.1 | Very high | 128 Ų | 128 | 98.3 Ų | 98.3 | 60% | 0.598 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.9 | -42.7 | 174 | -73.5 | 176.5 | -166.5 | 0 | 0 | 111.9 | R341 L343 A348 L349 | R341-E345 WeakPolarHBondContact O-CB 3.17Å; R341-E345 WeakPolarHBondContact O-CG 3.44Å; R341-E345 PolarHBondContact O-N 2.89Å; L343-E345 VanDerWaalsContact C-N 3.34Å; L343-E345 PolarHBondContact O-N 3.14Å; E345-A348 PolarHBondContact O-N 3.29Å; E345-L349 VanDerWaalsContact O-CG 3.29Å; E345-L349 WeakPolarHBondContact O-CG 3.39Å; E345-L349 PolarHBondContact O-N 3.15Å |
| 346 | Q | 97.9 | Very high | 95.5 | Very high | 102 Ų | 102 | 99.3 Ų | 99.3 | 48% | 0.477 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -49 | 174.7 | -77.8 | 163 | 56.7 | 0 | 0 | 111.8 | E342 L343 A348 L349 E350 | E342-Q346 WeakPolarHBondContact O-CB 3.32Å; E342-Q346 VanDerWaalsContact O-CD 3.28Å; E342-Q346 WeakPolarHBondContact O-CG 3.14Å; E342-Q346 PolarHBondContact O-N 2.84Å; E342-Q346 VanDerWaalsContact O-N 3.09Å; E342-Q346 PolarHBondContact O-NE2 2.93Å; L343-Q346 PolarHBondContact O-N 2.91Å; Q346-A348 VanDerWaalsContact C-N 3.33Å; Q346-A348 PolarHBondContact O-N 3.44Å; Q346-L349 PolarHBondContact O-N 3.48Å; Q346-E350 WeakPolarHBondContact O-CG 3.41Å; Q346-E350 PolarHBondContact O-N 2.88Å |
| 347 | F | 94.6 | Very high | 95.9 | Very high | 132 Ų | 132 | 95.7 Ų | 95.7 | 58% | 0.579 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.1 | -34.2 | 177.3 | -72.1 | -54.7 | 0 | 0 | 0 | 112.7 | L343 A351 | L343-F347 HydrophobicContact CB-CE2 4.39Å; L343-F347 WeakPolarHBondContact O-CD2 3.42Å; L343-F347 PolarHBondContact O-N 3.19Å; F347-A351 WeakPolarHBondContact O-CB 3.39Å; F347-A351 PolarHBondContact O-N 3.36Å |
| 348 | A | 95.8 | Very high | 96.2 | Very high | 67 Ų | 67 | 94.6 Ų | 94.6 | 55% | 0.554 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.3 | -40.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E344 E345 Q346 G352 | E344-A348 VanDerWaalsContact O-CB 3.31Å; E344-A348 WeakPolarHBondContact O-CB 3.3Å; E344-A348 PolarHBondContact O-N 2.85Å; E345-A348 PolarHBondContact O-N 3.29Å; Q346-A348 VanDerWaalsContact C-N 3.33Å; Q346-A348 PolarHBondContact O-N 3.44Å; A348-G352 PolarHBondContact O-N 3.26Å |
| 349 | L | 97.6 | Very high | 96.4 | Very high | 137 Ų | 137 | 91.4 Ų | 91.4 | 72% | 0.717 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.3 | -43 | 174.9 | -71.3 | 169 | 0 | 0 | 0 | 112.1 | E345 Q346 G352 G353 | E345-L349 VanDerWaalsContact O-CG 3.29Å; E345-L349 WeakPolarHBondContact O-CG 3.39Å; E345-L349 PolarHBondContact O-N 3.15Å; Q346-L349 PolarHBondContact O-N 3.48Å; L349-G352 PolarHBondContact O-N 3.46Å; L349-G353 PolarHBondContact O-N 2.64Å |
| 350 | E | 97.5 | Very high | 96.6 | Very high | 102 Ų | 102 | 93.3 Ų | 93.3 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -48 | 174.5 | -73.4 | -173.1 | 179.7 | 0 | 0 | 111.6 | Q346 G352 G353 Y354 | Q346-E350 WeakPolarHBondContact O-CG 3.41Å; Q346-E350 PolarHBondContact O-N 2.88Å; E350-G352 VanDerWaalsContact C-N 3.34Å; E350-G352 PolarHBondContact O-N 2.88Å; E350-G353 WeakPolarHBondContact O-CA 3.32Å; E350-G353 PolarHBondContact O-N 3.18Å; E350-Y354 HydrophobicContact CB-CE2 4.08Å; E350-Y354 WeakPolarHBondContact O-CD2 3.32Å; E350-Y354 PolarHBondContact O-N 3.08Å |
| 351 | A | 96.2 | Very high | 96.9 | Very high | 42 Ų | 42 | 94.5 Ų | 94.5 | 35% | 0.347 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.2 | -43 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F347 G353 Y354 Q355 | F347-A351 WeakPolarHBondContact O-CB 3.39Å; F347-A351 PolarHBondContact O-N 3.36Å; A351-G353 VanDerWaalsContact C-N 3.33Å; A351-G353 PolarHBondContact O-N 2.68Å; A351-Y354 PolarHBondContact O-N 2.7Å; A351-Q355 WeakPolarHBondContact O-CB 3.45Å; A351-Q355 VanDerWaalsContact O-CG 3.31Å; A351-Q355 WeakPolarHBondContact O-CG 3.34Å; A351-Q355 PolarHBondContact O-N 2.96Å |
| 352 | G | 97.9 | Very high | 97 | Very high | 34 Ų | 34 | 94.7 Ų | 94.7 | 35% | 0.351 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A348 L349 E350 Q355 A356 | A348-G352 PolarHBondContact O-N 3.26Å; L349-G352 PolarHBondContact O-N 3.46Å; E350-G352 VanDerWaalsContact C-N 3.34Å; E350-G352 PolarHBondContact O-N 2.88Å; G352-Q355 PolarHBondContact O-N 3.48Å; G352-A356 WeakPolarHBondContact O-CB 3.24Å; G352-A356 PolarHBondContact O-N 2.91Å |
| 353 | G | 98.2 | Very high | 97.1 | Very high | 44 Ų | 44 | 93.5 Ų | 93.5 | 45% | 0.454 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L349 E350 A351 A356 G357 | L349-G353 PolarHBondContact O-N 2.64Å; E350-G353 WeakPolarHBondContact O-CA 3.32Å; E350-G353 PolarHBondContact O-N 3.18Å; A351-G353 VanDerWaalsContact C-N 3.33Å; A351-G353 PolarHBondContact O-N 2.68Å; G353-A356 PolarHBondContact O-N 2.87Å; G353-G357 PolarHBondContact O-N 3.15Å |
| 354 | Y | 96.4 | Very high | 97.3 | Very high | 172 Ų | 172 | 93.3 Ų | 93.3 | 68% | 0.675 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.1 | -41 | 175.4 | -64.5 | -57.6 | 0 | 0 | 0 | 112.1 | E350 A351 G357 A358 | E350-Y354 HydrophobicContact CB-CE2 4.08Å; E350-Y354 WeakPolarHBondContact O-CD2 3.32Å; E350-Y354 PolarHBondContact O-N 3.08Å; A351-Y354 PolarHBondContact O-N 2.7Å; Y354-G357 PolarHBondContact O-N 3.41Å; Y354-A358 WeakPolarHBondContact O-CB 3.27Å; Y354-A358 PolarHBondContact O-N 2.99Å |
| 355 | Q | 97.9 | Very high | 97.5 | Very high | 139 Ų | 139 | 92.5 Ų | 92.5 | 65% | 0.65 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.4 | -44 | 175.3 | -73.7 | 175.7 | 11.1 | 0 | 0 | 112.1 | A351 G352 G357 A358 A359 | A351-Q355 WeakPolarHBondContact O-CB 3.45Å; A351-Q355 VanDerWaalsContact O-CG 3.31Å; A351-Q355 WeakPolarHBondContact O-CG 3.34Å; A351-Q355 PolarHBondContact O-N 2.96Å; G352-Q355 PolarHBondContact O-N 3.48Å; Q355-G357 VanDerWaalsContact C-N 3.33Å; Q355-G357 PolarHBondContact O-N 3.47Å; Q355-A358 PolarHBondContact O-N 3.21Å; Q355-A359 WeakPolarHBondContact O-CB 3.4Å; Q355-A359 PolarHBondContact O-N 3.31Å |
| 356 | A | 98 | Very high | 97.5 | Very high | 63 Ų | 63 | 91.5 Ų | 91.5 | 52% | 0.521 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G352 G353 R360 | G352-A356 WeakPolarHBondContact O-CB 3.24Å; G352-A356 PolarHBondContact O-N 2.91Å; G353-A356 PolarHBondContact O-N 2.87Å; A356-R360 WeakPolarHBondContact O-CB 3.36Å; A356-R360 PolarHBondContact O-N 3.1Å |
| 357 | G | 98.2 | Very high | 97.6 | Very high | 33 Ų | 33 | 91.1 Ų | 91.1 | 34% | 0.34 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G353 Y354 Q355 R360 L361 | G353-G357 PolarHBondContact O-N 3.15Å; Y354-G357 PolarHBondContact O-N 3.41Å; Q355-G357 VanDerWaalsContact C-N 3.33Å; Q355-G357 PolarHBondContact O-N 3.47Å; G357-R360 PolarHBondContact O-N 3.07Å; G357-L361 WeakPolarHBondContact O-CG 3.26Å; G357-L361 PolarHBondContact O-N 3.42Å |
| 358 | A | 97.6 | Very high | 97.7 | Very high | 48 Ų | 48 | 90.1 Ų | 90.1 | 40% | 0.397 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -51.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y354 Q355 R360 L361 E362 | Y354-A358 WeakPolarHBondContact O-CB 3.27Å; Y354-A358 PolarHBondContact O-N 2.99Å; Q355-A358 PolarHBondContact O-N 3.21Å; A358-R360 VanDerWaalsContact C-N 3.26Å; A358-R360 PolarHBondContact O-N 3.25Å; A358-L361 PolarHBondContact O-N 3.3Å; A358-E362 WeakPolarHBondContact O-CG 3.24Å; A358-E362 PolarHBondContact O-N 2.9Å |
| 359 | A | 97.8 | Very high | 97.8 | Very high | 54 Ų | 54 | 93.6 Ų | 93.6 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.7 | -37.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q355 E362 E363 | Q355-A359 WeakPolarHBondContact O-CB 3.4Å; Q355-A359 PolarHBondContact O-N 3.31Å; A359-E362 PolarHBondContact O-N 2.68Å; A359-E363 WeakPolarHBondContact O-CB 3.48Å; A359-E363 PolarHBondContact O-N 3.33Å |
| 360 | R | 98.5 | Very high | 97.9 | Very high | 146 Ų | 146 | 91.9 Ų | 91.9 | 55% | 0.551 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.6 | -46.2 | 173 | 178.1 | -179 | 166.4 | -178.3 | -5.7 | 112.1 | A356 G357 A358 E362 E363 E364 | A356-R360 WeakPolarHBondContact O-CB 3.36Å; A356-R360 PolarHBondContact O-N 3.1Å; G357-R360 PolarHBondContact O-N 3.07Å; A358-R360 VanDerWaalsContact C-N 3.26Å; A358-R360 PolarHBondContact O-N 3.25Å; R360-E362 VanDerWaalsContact C-N 3.32Å; R360-E363 PolarHBondContact O-N 3.46Å; R360-E364 IonicContact CZ-OE1 3.55Å; R360-E364 IonicContact NE-OE1 3.11Å; R360-E364 PolarHBondContact NE-OE1 3.32Å; R360-E364 IonicContact NH2-OE1 3.32Å; R360-E364 PolarHBondContact NH2-OE1 3.16Å; R360-E364 WeakPolarHBondContact O-CG 3.3Å; R360-E364 PolarHBondContact O-N 3Å |
| 361 | L | 97.9 | Very high | 97.9 | Very high | 112 Ų | 112 | 89.5 Ų | 89.5 | 59% | 0.586 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.2 | -35.8 | 178.6 | -71.8 | 170.6 | 0 | 0 | 0 | 111.8 | G357 A358 L365 | G357-L361 WeakPolarHBondContact O-CG 3.26Å; G357-L361 PolarHBondContact O-N 3.42Å; A358-L361 PolarHBondContact O-N 3.3Å; L361-L365 WeakPolarHBondContact O-CB 3.08Å; L361-L365 PolarHBondContact O-N 2.77Å |
| 362 | E | 98.1 | Very high | 98 | Very high | 139 Ų | 139 | 92.8 Ų | 92.8 | 65% | 0.65 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.1 | -43.1 | 172.5 | -72.4 | 179.1 | 169.9 | 0 | 0 | 111.8 | A358 A359 R360 L365 R366 | A358-E362 WeakPolarHBondContact O-CG 3.24Å; A358-E362 PolarHBondContact O-N 2.9Å; A359-E362 PolarHBondContact O-N 2.68Å; R360-E362 VanDerWaalsContact C-N 3.32Å; E362-L365 PolarHBondContact O-N 3.32Å; E362-R366 VanDerWaalsContact O-CB 3.29Å; E362-R366 WeakPolarHBondContact O-CB 3.42Å; E362-R366 PolarHBondContact O-N 3.26Å |
| 363 | E | 98.1 | Very high | 98 | Very high | 75 Ų | 75 | 92.8 Ų | 92.8 | 35% | 0.35 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.5 | -42.7 | 176.8 | -175.5 | 55.9 | -132.5 | 0 | 0 | 112.1 | A359 R360 L365 R366 Q367 | A359-E363 WeakPolarHBondContact O-CB 3.48Å; A359-E363 PolarHBondContact O-N 3.33Å; R360-E363 PolarHBondContact O-N 3.46Å; E363-L365 VanDerWaalsContact C-N 3.33Å; E363-L365 PolarHBondContact O-N 2.93Å; E363-R366 WeakPolarHBondContact O-CB 3.37Å; E363-R366 PolarHBondContact O-N 3.19Å; E363-R366 IonicContact OE1-CZ 2.72Å; E363-R366 IonicContact OE1-NE 2.75Å; E363-R366 PolarHBondContact OE1-NE 3.12Å; E363-R366 IonicContact OE1-NH2 3.86Å; E363-R366 PolarHBondContact OE1-NH2 2.96Å; E363-R366 IonicContact OE2-CZ 3.85Å; E363-R366 IonicContact OE2-NE 3.16Å; E363-R366 PolarHBondContact OE2-NE 3.24Å; E363-R366 IonicContact OE2-NH2 2.74Å; E363-Q367 VanDerWaalsContact O-CG 3.29Å; E363-Q367 WeakPolarHBondContact O-CG 3.47Å; E363-Q367 PolarHBondContact O-N 3.39Å; E363-Q367 PolarHBondContact OE1-NE2 2.82Å |
| 364 | E | 98.3 | Very high | 98 | Very high | 80 Ų | 80 | 97.6 Ų | 97.6 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 173 | -73.7 | 178.1 | -177.2 | 0 | 0 | 111.8 | R360 Q367 L368 | R360-E364 IonicContact CZ-OE1 3.55Å; R360-E364 IonicContact NE-OE1 3.11Å; R360-E364 PolarHBondContact NE-OE1 3.32Å; R360-E364 IonicContact NH2-OE1 3.32Å; R360-E364 PolarHBondContact NH2-OE1 3.16Å; R360-E364 WeakPolarHBondContact O-CG 3.3Å; R360-E364 PolarHBondContact O-N 3Å; E364-Q367 PolarHBondContact O-N 3.17Å; E364-L368 WeakPolarHBondContact O-CB 3.37Å; E364-L368 PolarHBondContact O-N 3.34Å |
| 365 | L | 97.9 | Very high | 98 | Very high | 93 Ų | 93 | 91.1 Ų | 91.1 | 49% | 0.487 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.6 | -35.9 | 175.8 | -167.3 | 162.7 | 0 | 0 | 0 | 111.6 | L361 E362 E363 K369 | L361-L365 WeakPolarHBondContact O-CB 3.08Å; L361-L365 PolarHBondContact O-N 2.77Å; E362-L365 PolarHBondContact O-N 3.32Å; E363-L365 VanDerWaalsContact C-N 3.33Å; E363-L365 PolarHBondContact O-N 2.93Å; L365-K369 HydrophobicContact CD2-CD 3.81Å; L365-K369 HydrophobicContact CD2-CG 4.39Å; L365-K369 WeakPolarHBondContact O-CG 3.45Å; L365-K369 PolarHBondContact O-N 3.2Å; L365-K369 VanDerWaalsContact O-N 3.08Å |
| 366 | R | 98.3 | Very high | 98 | Very high | 108 Ų | 108 | 89.9 Ų | 89.9 | 41% | 0.408 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 173.2 | -160.9 | -171.9 | 72.7 | 61.2 | 18.9 | 110.7 | E362 E363 K369 E370 | E362-R366 VanDerWaalsContact O-CB 3.29Å; E362-R366 WeakPolarHBondContact O-CB 3.42Å; E362-R366 PolarHBondContact O-N 3.26Å; E363-R366 WeakPolarHBondContact O-CB 3.37Å; E363-R366 PolarHBondContact O-N 3.19Å; E363-R366 IonicContact OE1-CZ 2.72Å; E363-R366 IonicContact OE1-NE 2.75Å; E363-R366 PolarHBondContact OE1-NE 3.12Å; E363-R366 IonicContact OE1-NH2 3.86Å; E363-R366 PolarHBondContact OE1-NH2 2.96Å; E363-R366 IonicContact OE2-CZ 3.85Å; E363-R366 IonicContact OE2-NE 3.16Å; E363-R366 PolarHBondContact OE2-NE 3.24Å; E363-R366 IonicContact OE2-NH2 2.74Å; R366-K369 WeakPolarHBondContact O-CB 3.34Å; R366-K369 PolarHBondContact O-N 3.22Å; R366-E370 IonicContact CZ-OE1 3.22Å; R366-E370 IonicContact CZ-OE2 3.71Å; R366-E370 IonicContact NH1-OE1 2.74Å; R366-E370 PolarHBondContact NH1-OE1 3.02Å; R366-E370 IonicContact NH1-OE2 3.8Å; R366-E370 PolarHBondContact NH1-OE2 2.82Å; R366-E370 VanDerWaalsContact NH1-OE2 3.11Å; R366-E370 IonicContact NH2-OE2 2.79Å; R366-E370 PolarHBondContact NH2-OE2 2.88Å; R366-E370 WeakPolarHBondContact O-CG 3.11Å; R366-E370 PolarHBondContact O-N 3.05Å |
| 367 | Q | 98.3 | Very high | 98 | Very high | 93 Ų | 93 | 93.8 Ų | 93.8 | 44% | 0.435 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 176.4 | -70.7 | 170 | 22.1 | 0 | 0 | 112.1 | E363 E364 K369 E370 E371 | E363-Q367 VanDerWaalsContact O-CG 3.29Å; E363-Q367 WeakPolarHBondContact O-CG 3.47Å; E363-Q367 PolarHBondContact O-N 3.39Å; E363-Q367 PolarHBondContact OE1-NE2 2.82Å; E364-Q367 PolarHBondContact O-N 3.17Å; Q367-K369 VanDerWaalsContact C-N 3.3Å; Q367-K369 PolarHBondContact O-N 3.2Å; Q367-E370 WeakPolarHBondContact O-CB 3.29Å; Q367-E370 PolarHBondContact O-N 3.4Å; Q367-E371 PolarHBondContact O-N 2.78Å |
| 368 | L | 98 | Very high | 98 | Very high | 112 Ų | 112 | 95.1 Ų | 95.1 | 59% | 0.586 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.1 | -34.5 | 177.6 | -172.4 | 65.1 | 0 | 0 | 0 | 112.4 | E364 M372 | E364-L368 WeakPolarHBondContact O-CB 3.37Å; E364-L368 PolarHBondContact O-N 3.34Å; L368-M372 VanDerWaalsContact O-CB 3.28Å; L368-M372 WeakPolarHBondContact O-CB 3.34Å; L368-M372 PolarHBondContact O-N 2.99Å |
| 369 | K | 98.3 | Very high | 98 | Very high | 139 Ų | 139 | 99 Ų | 99 | 60% | 0.604 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.7 | -39.1 | 170.5 | -77.5 | 169.2 | 173.7 | 164.6 | 0 | 112.1 | L365 R366 Q367 A373 | L365-K369 HydrophobicContact CD2-CD 3.81Å; L365-K369 HydrophobicContact CD2-CG 4.39Å; L365-K369 WeakPolarHBondContact O-CG 3.45Å; L365-K369 PolarHBondContact O-N 3.2Å; L365-K369 VanDerWaalsContact O-N 3.08Å; R366-K369 WeakPolarHBondContact O-CB 3.34Å; R366-K369 PolarHBondContact O-N 3.22Å; Q367-K369 VanDerWaalsContact C-N 3.3Å; Q367-K369 PolarHBondContact O-N 3.2Å; K369-A373 VanDerWaalsContact O-CB 3.25Å; K369-A373 WeakPolarHBondContact O-CB 3.3Å; K369-A373 PolarHBondContact O-N 3.22Å |
| 370 | E | 98.3 | Very high | 98 | Very high | 101 Ų | 101 | 101.1 Ų | 101.1 | 47% | 0.472 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.9 | -42.6 | 176.9 | -71.2 | 178 | 148.3 | 0 | 0 | 112.3 | R366 Q367 A373 R374 | R366-E370 IonicContact CZ-OE1 3.22Å; R366-E370 IonicContact CZ-OE2 3.71Å; R366-E370 IonicContact NH1-OE1 2.74Å; R366-E370 PolarHBondContact NH1-OE1 3.02Å; R366-E370 IonicContact NH1-OE2 3.8Å; R366-E370 PolarHBondContact NH1-OE2 2.82Å; R366-E370 VanDerWaalsContact NH1-OE2 3.11Å; R366-E370 IonicContact NH2-OE2 2.79Å; R366-E370 PolarHBondContact NH2-OE2 2.88Å; R366-E370 WeakPolarHBondContact O-CG 3.11Å; R366-E370 PolarHBondContact O-N 3.05Å; Q367-E370 WeakPolarHBondContact O-CB 3.29Å; Q367-E370 PolarHBondContact O-N 3.4Å; E370-A373 PolarHBondContact O-N 2.96Å; E370-R374 WeakPolarHBondContact O-CB 3.44Å; E370-R374 PolarHBondContact O-N 3.24Å |
| 371 | E | 98.3 | Very high | 98 | Very high | 52 Ų | 52 | 99.8 Ų | 99.8 | 24% | 0.243 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 173 | -70.3 | -167 | 152.5 | 0 | 0 | 110.7 | R39 Q367 A373 R374 H375 | R39-E371 IonicContact CZ-OE1 3.68Å; R39-E371 IonicContact NE-OE1 3.94Å; R39-E371 PolarHBondContact NE-OE1 3.11Å; R39-E371 IonicContact NH2-OE1 2.69Å; R39-E371 PolarHBondContact NH2-OE1 2.89Å; Q367-E371 PolarHBondContact O-N 2.78Å; E371-A373 PolarHBondContact O-N 3.31Å; E371-R374 WeakPolarHBondContact O-CB 3.28Å; E371-R374 PolarHBondContact O-N 2.7Å; E371-R374 VanDerWaalsContact O-N 3.17Å; E371-H375 PolarHBondContact O-CD2 2.87Å; E371-H375 VanDerWaalsContact O-CG 3.28Å; E371-H375 PolarHBondContact O-N 2.96Å |
| 372 | M | 97.9 | Very high | 98 | Very high | 111 Ų | 111 | 99.8 Ų | 99.8 | 55% | 0.547 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.2 | -46.9 | 174.5 | -176 | 63.2 | 67.9 | 0 | 0 | 112.4 | L368 R374 H375 L376 | L368-M372 VanDerWaalsContact O-CB 3.28Å; L368-M372 WeakPolarHBondContact O-CB 3.34Å; L368-M372 PolarHBondContact O-N 2.99Å; M372-R374 VanDerWaalsContact C-N 3.26Å; M372-R374 PolarHBondContact O-N 2.94Å; M372-H375 PolarHBondContact O-N 3.22Å; M372-L376 HydrophobicContact CG-CD1 4.48Å; M372-L376 WeakPolarHBondContact O-CG 3.43Å; M372-L376 PolarHBondContact O-N 3.07Å |
| 373 | A | 97.7 | Very high | 98 | Very high | 35 Ų | 35 | 97.1 Ų | 97.1 | 29% | 0.289 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.7 | -29.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K369 E370 E371 R377 | K369-A373 VanDerWaalsContact O-CB 3.25Å; K369-A373 WeakPolarHBondContact O-CB 3.3Å; K369-A373 PolarHBondContact O-N 3.22Å; E370-A373 PolarHBondContact O-N 2.96Å; E371-A373 PolarHBondContact O-N 3.31Å; A373-R377 WeakPolarHBondContact O-CG 3.33Å |
| 374 | R | 98.2 | Very high | 97.9 | Very high | 145 Ų | 145 | 97.7 Ų | 97.7 | 55% | 0.547 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.7 | -50.9 | 170.4 | 178.8 | -174.9 | 168.2 | 110.5 | 18.3 | 111 | E370 E371 M372 L376 R377 E378 | E370-R374 WeakPolarHBondContact O-CB 3.44Å; E370-R374 PolarHBondContact O-N 3.24Å; E371-R374 WeakPolarHBondContact O-CB 3.28Å; E371-R374 PolarHBondContact O-N 2.7Å; E371-R374 VanDerWaalsContact O-N 3.17Å; M372-R374 VanDerWaalsContact C-N 3.26Å; M372-R374 PolarHBondContact O-N 2.94Å; R374-L376 VanDerWaalsContact C-N 3.28Å; R374-L376 PolarHBondContact O-N 2.94Å; R374-R377 WeakPolarHBondContact O-CB 3.28Å; R374-R377 PolarHBondContact O-N 3.04Å; R374-E378 HydrophobicContact CG-CG 4.42Å; R374-E378 IonicContact CZ-OE1 2.63Å; R374-E378 IonicContact NE-OE1 2.71Å; R374-E378 PolarHBondContact NE-OE1 3.23Å; R374-E378 IonicContact NE-OE2 3.29Å; R374-E378 IonicContact NH2-OE1 3.39Å; R374-E378 PolarHBondContact NH2-OE1 3.03Å; R374-E378 PolarHBondContact O-N 2.79Å |
| 375 | H | 97.7 | Very high | 97.9 | Very high | 36 Ų | 36 | 98 Ų | 98 | 17% | 0.167 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -62.4 | -35.1 | -178.5 | -59.5 | -34.3 | 0 | 0 | 0 | 112.6 | F40 E371 M372 R377 E378 Y379 | F40-H375 AromaticContact CD2-CE1 3.37Å; F40-H375 WeakPolarHBondContact CD2-CE1 3.36Å; F40-H375 AromaticContact CD2-NE2 3.3Å; F40-H375 VanDerWaalsContact CD2-NE2 3.3Å; F40-H375 WeakPolarHBondContact CD2-NE2 3.5Å; F40-H375 AromaticContact CE2-CD2 3.78Å; F40-H375 AromaticContact CE2-CE1 3.08Å; F40-H375 WeakPolarHBondContact CE2-CE1 3.34Å; F40-H375 AromaticContact CE2-CG 3.78Å; F40-H375 AromaticContact CE2-ND1 3.34Å; F40-H375 VanDerWaalsContact CE2-ND1 3.34Å; F40-H375 WeakPolarHBondContact CE2-ND1 3.2Å; F40-H375 AromaticContact CE2-NE2 3.35Å; F40-H375 WeakPolarHBondContact CE2-NE2 3.5Å; F40-H375 AromaticContact CZ-CE1 3.67Å; F40-H375 AromaticContact CZ-ND1 3.77Å; E371-H375 PolarHBondContact O-CD2 2.87Å; E371-H375 VanDerWaalsContact O-CG 3.28Å; E371-H375 PolarHBondContact O-N 2.96Å; M372-H375 PolarHBondContact O-N 3.22Å; H375-R377 VanDerWaalsContact C-N 3.3Å; H375-R377 PolarHBondContact O-N 2.79Å; H375-E378 WeakPolarHBondContact CA-OE2 3.41Å; H375-E378 IonicContact CE1-OE2 2.79Å; H375-E378 IonicContact CG-OE2 2.64Å; H375-E378 IonicContact ND1-OE2 2.85Å; H375-E378 PolarHBondContact ND1-OE2 3.41Å; H375-E378 PolarHBondContact O-N 2.98Å; H375-Y379 HydrophobicContact CB-CD2 4.43Å; H375-Y379 HydrophobicContact CB-CE2 4.31Å; H375-Y379 WeakPolarHBondContact O-CB 3.44Å; H375-Y379 WeakPolarHBondContact O-CD2 3.48Å; H375-Y379 PolarHBondContact O-N 2.96Å |
| 376 | L | 97.9 | Very high | 97.9 | Very high | 112 Ų | 112 | 98.5 Ų | 98.5 | 59% | 0.586 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.3 | -35.1 | 173.1 | -71.6 | 170.8 | 0 | 0 | 0 | 113.1 | M372 R374 Q380 | M372-L376 HydrophobicContact CG-CD1 4.48Å; M372-L376 WeakPolarHBondContact O-CG 3.43Å; M372-L376 PolarHBondContact O-N 3.07Å; R374-L376 VanDerWaalsContact C-N 3.28Å; R374-L376 PolarHBondContact O-N 2.94Å; L376-Q380 WeakPolarHBondContact O-CB 3.32Å; L376-Q380 PolarHBondContact O-N 2.97Å; L376-Q380 VanDerWaalsContact O-N 3.11Å |
| 377 | R | 97.8 | Very high | 97.9 | Very high | 146 Ų | 146 | 98.1 Ų | 98.1 | 55% | 0.551 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -69.9 | -47.2 | 172.6 | -61.6 | 176 | -150.6 | 110.3 | 5.5 | 111.1 | A373 R374 H375 Y379 Q380 E381 | A373-R377 WeakPolarHBondContact O-CG 3.33Å; R374-R377 WeakPolarHBondContact O-CB 3.28Å; R374-R377 PolarHBondContact O-N 3.04Å; H375-R377 VanDerWaalsContact C-N 3.3Å; H375-R377 PolarHBondContact O-N 2.79Å; R377-Y379 VanDerWaalsContact C-N 3.28Å; R377-Y379 PolarHBondContact O-N 3.39Å; R377-Q380 PolarHBondContact O-N 3.35Å; R377-E381 WeakPolarHBondContact O-CG 3.46Å; R377-E381 PolarHBondContact O-N 2.93Å |
| 378 | E | 97.8 | Very high | 97.8 | Very high | 60 Ų | 60 | 95.9 Ų | 95.9 | 28% | 0.28 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.9 | -38.2 | 178.3 | -66.1 | 169.7 | 149.5 | 0 | 0 | 111.8 | R374 H375 L382 | R374-E378 HydrophobicContact CG-CG 4.42Å; R374-E378 IonicContact CZ-OE1 2.63Å; R374-E378 IonicContact NE-OE1 2.71Å; R374-E378 PolarHBondContact NE-OE1 3.23Å; R374-E378 IonicContact NE-OE2 3.29Å; R374-E378 IonicContact NH2-OE1 3.39Å; R374-E378 PolarHBondContact NH2-OE1 3.03Å; R374-E378 PolarHBondContact O-N 2.79Å; H375-E378 WeakPolarHBondContact CA-OE2 3.41Å; H375-E378 IonicContact CE1-OE2 2.79Å; H375-E378 IonicContact CG-OE2 2.64Å; H375-E378 IonicContact ND1-OE2 2.85Å; H375-E378 PolarHBondContact ND1-OE2 3.41Å; H375-E378 PolarHBondContact O-N 2.98Å; E378-L382 WeakPolarHBondContact O-CB 3.23Å; E378-L382 PolarHBondContact O-N 3.28Å |
| 379 | Y | 97.9 | Very high | 97.8 | Very high | 131 Ų | 131 | 94.5 Ų | 94.5 | 51% | 0.514 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.8 | -39 | 172.7 | -77.4 | -58 | 0 | 0 | 0 | 113.2 | H375 R377 L382 L383 | H375-Y379 HydrophobicContact CB-CD2 4.43Å; H375-Y379 HydrophobicContact CB-CE2 4.31Å; H375-Y379 WeakPolarHBondContact O-CB 3.44Å; H375-Y379 WeakPolarHBondContact O-CD2 3.48Å; H375-Y379 PolarHBondContact O-N 2.96Å; R377-Y379 VanDerWaalsContact C-N 3.28Å; R377-Y379 PolarHBondContact O-N 3.39Å; Y379-L382 PolarHBondContact O-N 3.14Å; Y379-L383 WeakPolarHBondContact O-CB 3.32Å; Y379-L383 PolarHBondContact O-N 3.17Å |
| 380 | Q | 97.8 | Very high | 97.7 | Very high | 97 Ų | 97 | 91.2 Ų | 91.2 | 45% | 0.453 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.9 | -40.1 | 176.3 | -175 | 61.8 | 62.3 | 0 | 0 | 111.7 | L376 R377 L383 N384 | L376-Q380 WeakPolarHBondContact O-CB 3.32Å; L376-Q380 PolarHBondContact O-N 2.97Å; L376-Q380 VanDerWaalsContact O-N 3.11Å; R377-Q380 PolarHBondContact O-N 3.35Å; Q380-L383 PolarHBondContact O-N 2.97Å; Q380-N384 PolarHBondContact NE2-OD1 3.35Å; Q380-N384 PolarHBondContact O-N 2.87Å; Q380-N384 PolarHBondContact O-ND2 3.25Å; Q380-N384 PolarHBondContact O-OD1 3.37Å |
| 381 | E | 97.6 | Very high | 97.7 | Very high | 118 Ų | 118 | 91.8 Ų | 91.8 | 55% | 0.551 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -61.4 | -46.1 | 173.9 | -72.3 | 166.1 | -155.1 | 0 | 0 | 111.1 | R377 L383 N384 V385 | R377-E381 WeakPolarHBondContact O-CG 3.46Å; R377-E381 PolarHBondContact O-N 2.93Å; E381-L383 VanDerWaalsContact C-N 3.34Å; E381-L383 PolarHBondContact O-N 3.34Å; E381-N384 WeakPolarHBondContact O-CB 3.28Å; E381-N384 PolarHBondContact O-N 2.68Å; E381-V385 WeakPolarHBondContact O-CG2 3.5Å; E381-V385 PolarHBondContact O-N 3.41Å |
| 382 | L | 98 | Very high | 97.6 | Very high | 112 Ų | 112 | 93.6 Ų | 93.6 | 59% | 0.586 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.5 | -37.6 | 175.2 | -177.5 | 61.1 | 0 | 0 | 0 | 112.6 | E378 Y379 V385 K386 | E378-L382 WeakPolarHBondContact O-CB 3.23Å; E378-L382 PolarHBondContact O-N 3.28Å; Y379-L382 PolarHBondContact O-N 3.14Å; L382-V385 PolarHBondContact O-N 2.86Å; L382-K386 WeakPolarHBondContact O-CB 3.35Å; L382-K386 PolarHBondContact O-N 3.44Å |
| 383 | L | 97.4 | Very high | 97.5 | Very high | 84 Ų | 84 | 92.1 Ų | 92.1 | 44% | 0.44 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 174.1 | 178.3 | 59.2 | 0 | 0 | 0 | 111.5 | Y379 Q380 E381 K386 M387 | Y379-L383 WeakPolarHBondContact O-CB 3.32Å; Y379-L383 PolarHBondContact O-N 3.17Å; Q380-L383 PolarHBondContact O-N 2.97Å; E381-L383 VanDerWaalsContact C-N 3.34Å; E381-L383 PolarHBondContact O-N 3.34Å; L383-K386 WeakPolarHBondContact O-CB 3.12Å; L383-K386 PolarHBondContact O-N 3.34Å; L383-M387 HydrophobicContact CD1-CG 4.49Å; L383-M387 HydrophobicContact CG-SD 4.44Å; L383-M387 WeakPolarHBondContact O-CG 3.39Å; L383-M387 PolarHBondContact O-N 3.48Å |
| 384 | N | 97.4 | Very high | 97.4 | Very high | 87 Ų | 87 | 92.4 Ų | 92.4 | 47% | 0.465 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 176.3 | -64.4 | -11.7 | 0 | 0 | 0 | 111.2 | Q380 E381 M387 A388 | Q380-N384 PolarHBondContact NE2-OD1 3.35Å; Q380-N384 PolarHBondContact O-N 2.87Å; Q380-N384 PolarHBondContact O-ND2 3.25Å; Q380-N384 PolarHBondContact O-OD1 3.37Å; E381-N384 WeakPolarHBondContact O-CB 3.28Å; E381-N384 PolarHBondContact O-N 2.68Å; N384-M387 PolarHBondContact O-N 2.76Å; N384-A388 PolarHBondContact O-N 3.4Å |
| 385 | V | 97.8 | Very high | 97.2 | Very high | 85 Ų | 85 | 88.7 Ų | 88.7 | 52% | 0.515 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 174.2 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | E381 L382 M387 A388 L389 | E381-V385 WeakPolarHBondContact O-CG2 3.5Å; E381-V385 PolarHBondContact O-N 3.41Å; L382-V385 PolarHBondContact O-N 2.86Å; V385-M387 VanDerWaalsContact C-N 3.33Å; V385-M387 PolarHBondContact O-N 3.24Å; V385-A388 PolarHBondContact O-N 2.99Å; V385-L389 HydrophobicContact CG1-CD1 4.14Å; V385-L389 WeakPolarHBondContact O-CG 3.43Å; V385-L389 PolarHBondContact O-N 3.38Å |
| 386 | K | 97.6 | Very high | 97.1 | Very high | 105 Ų | 105 | 93.8 Ų | 93.8 | 46% | 0.457 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 175.9 | -172.3 | -88.9 | 175.5 | -169.7 | 0 | 111.8 | L382 L383 L389 D390 | L382-K386 WeakPolarHBondContact O-CB 3.35Å; L382-K386 PolarHBondContact O-N 3.44Å; L383-K386 WeakPolarHBondContact O-CB 3.12Å; L383-K386 PolarHBondContact O-N 3.34Å; K386-L389 PolarHBondContact O-N 2.83Å; K386-D390 WeakPolarHBondContact CD-OD2 3.41Å; K386-D390 VanDerWaalsContact CE-OD1 3.32Å; K386-D390 WeakPolarHBondContact CE-OD1 3.49Å; K386-D390 WeakPolarHBondContact CE-OD2 3.27Å; K386-D390 IonicContact NZ-OD1 3.28Å; K386-D390 PolarHBondContact NZ-OD1 2.99Å; K386-D390 IonicContact NZ-OD2 3.81Å; K386-D390 PolarHBondContact NZ-OD2 2.88Å; K386-D390 PolarHBondContact O-N 3.06Å |
| 387 | M | 97.8 | Very high | 97 | Very high | 100 Ų | 100 | 96 Ų | 96 | 49% | 0.493 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.7 | -38.5 | 176 | -72.8 | 177.3 | 62.7 | 0 | 0 | 112.4 | L383 N384 V385 D390 I391 | L383-M387 HydrophobicContact CD1-CG 4.49Å; L383-M387 HydrophobicContact CG-SD 4.44Å; L383-M387 WeakPolarHBondContact O-CG 3.39Å; L383-M387 PolarHBondContact O-N 3.48Å; N384-M387 PolarHBondContact O-N 2.76Å; V385-M387 VanDerWaalsContact C-N 3.33Å; V385-M387 PolarHBondContact O-N 3.24Å; M387-D390 PolarHBondContact O-N 2.84Å; M387-I391 WeakPolarHBondContact O-CD1 3.11Å; M387-I391 VanDerWaalsContact O-CG1 3.29Å; M387-I391 WeakPolarHBondContact O-CG1 3.36Å; M387-I391 PolarHBondContact O-N 3.32Å; M387-I391 VanDerWaalsContact O-N 3.08Å |
| 388 | A | 97.6 | Very high | 96.8 | Very high | 45 Ų | 45 | 96 Ų | 96 | 37% | 0.372 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N384 V385 D390 I391 E392 | N384-A388 PolarHBondContact O-N 3.4Å; V385-A388 PolarHBondContact O-N 2.99Å; A388-D390 PolarHBondContact O-N 3.43Å; A388-I391 WeakPolarHBondContact O-CB 3.45Å; A388-I391 PolarHBondContact O-N 2.9Å; A388-I391 VanDerWaalsContact O-N 3.15Å; A388-E392 PolarHBondContact O-N 3.14Å |
| 389 | L | 97.2 | Very high | 96.5 | Very high | 84 Ų | 84 | 98.7 Ų | 98.7 | 44% | 0.44 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.9 | -36.3 | 176 | -68.3 | 171.6 | 0 | 0 | 0 | 113.1 | V385 K386 I391 E392 I393 | V385-L389 HydrophobicContact CG1-CD1 4.14Å; V385-L389 WeakPolarHBondContact O-CG 3.43Å; V385-L389 PolarHBondContact O-N 3.38Å; K386-L389 PolarHBondContact O-N 2.83Å; L389-I391 VanDerWaalsContact C-N 3.31Å; L389-I391 PolarHBondContact O-N 3.43Å; L389-E392 PolarHBondContact O-N 2.84Å; L389-I393 WeakPolarHBondContact O-CB 3.4Å; L389-I393 WeakPolarHBondContact O-CD1 3.43Å; L389-I393 WeakPolarHBondContact O-CG1 3.24Å; L389-I393 PolarHBondContact O-N 2.89Å |
| 390 | D | 97.1 | Very high | 96 | Very high | 69 Ų | 69 | 97.7 Ų | 97.7 | 37% | 0.369 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 171.6 | -69.5 | -36.1 | 0 | 0 | 0 | 111.3 | K386 M387 A388 I393 A394 | K386-D390 WeakPolarHBondContact CD-OD2 3.41Å; K386-D390 VanDerWaalsContact CE-OD1 3.32Å; K386-D390 WeakPolarHBondContact CE-OD1 3.49Å; K386-D390 WeakPolarHBondContact CE-OD2 3.27Å; K386-D390 IonicContact NZ-OD1 3.28Å; K386-D390 PolarHBondContact NZ-OD1 2.99Å; K386-D390 IonicContact NZ-OD2 3.81Å; K386-D390 PolarHBondContact NZ-OD2 2.88Å; K386-D390 PolarHBondContact O-N 3.06Å; M387-D390 PolarHBondContact O-N 2.84Å; A388-D390 PolarHBondContact O-N 3.43Å; D390-I393 PolarHBondContact O-N 3.38Å; D390-A394 WeakPolarHBondContact O-CB 3.49Å; D390-A394 PolarHBondContact O-N 3.49Å |
| 391 | I | 96.4 | Very high | 95.3 | Very high | 114 Ų | 114 | 98.1 Ų | 98.1 | 59% | 0.585 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.7 | -44.6 | 178.9 | -68.2 | 163.6 | 0 | 0 | 0 | 110.3 | M387 A388 L389 A394 T395 | M387-I391 WeakPolarHBondContact O-CD1 3.11Å; M387-I391 VanDerWaalsContact O-CG1 3.29Å; M387-I391 WeakPolarHBondContact O-CG1 3.36Å; M387-I391 PolarHBondContact O-N 3.32Å; M387-I391 VanDerWaalsContact O-N 3.08Å; A388-I391 WeakPolarHBondContact O-CB 3.45Å; A388-I391 PolarHBondContact O-N 2.9Å; A388-I391 VanDerWaalsContact O-N 3.15Å; L389-I391 VanDerWaalsContact C-N 3.31Å; L389-I391 PolarHBondContact O-N 3.43Å; I391-A394 CarbonylContact O-C 3.53Å; I391-A394 PolarHBondContact O-N 3.34Å; I391-T395 PolarHBondContact O-N 2.9Å; I391-T395 PolarHBondContact O-OG1 2.94Å |
| 392 | E | 97 | Very high | 94.3 | Very high | 89 Ų | 89 | 93.7 Ų | 93.7 | 42% | 0.416 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 173 | -74.1 | 179.3 | -150.7 | 0 | 0 | 111.7 | A388 L389 A394 T395 Y396 | A388-E392 PolarHBondContact O-N 3.14Å; L389-E392 PolarHBondContact O-N 2.84Å; E392-A394 PolarHBondContact O-N 3.3Å; E392-T395 PolarHBondContact O-N 3.2Å; E392-T395 VanDerWaalsContact O-N 3.14Å; E392-T395 PolarHBondContact O-OG1 2.89Å; E392-Y396 HydrophobicContact CB-CD2 4.28Å; E392-Y396 HydrophobicContact CB-CE2 4Å; E392-Y396 WeakPolarHBondContact O-CD2 3.48Å; E392-Y396 PolarHBondContact O-N 3Å |
| 393 | I | 95.4 | Very high | 93.1 | Very high | 81 Ų | 81 | 92.4 Ų | 92.4 | 42% | 0.415 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.7 | -37.4 | 176.1 | -70.2 | 164.3 | 0 | 0 | 0 | 110.7 | L389 D390 R397 | L389-I393 WeakPolarHBondContact O-CB 3.4Å; L389-I393 WeakPolarHBondContact O-CD1 3.43Å; L389-I393 WeakPolarHBondContact O-CG1 3.24Å; L389-I393 PolarHBondContact O-N 2.89Å; D390-I393 PolarHBondContact O-N 3.38Å; I393-R397 WeakPolarHBondContact O-CB 3.39Å; I393-R397 VanDerWaalsContact O-CG 3.24Å; I393-R397 WeakPolarHBondContact O-CG 3.43Å; I393-R397 PolarHBondContact O-N 2.88Å |
| 394 | A | 96.1 | Very high | 91.5 | Very high | 40 Ų | 40 | 94.6 Ų | 94.6 | 33% | 0.331 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.3 | -33 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D390 I391 E392 K398 | D390-A394 WeakPolarHBondContact O-CB 3.49Å; D390-A394 PolarHBondContact O-N 3.49Å; I391-A394 CarbonylContact O-C 3.53Å; I391-A394 PolarHBondContact O-N 3.34Å; E392-A394 PolarHBondContact O-N 3.3Å; A394-K398 WeakPolarHBondContact O-CG 3.35Å; A394-K398 PolarHBondContact O-N 3.45Å |
| 395 | T | 94.3 | Very high | 89.7 | Confident | 67 Ų | 67 | 94.9 Ų | 94.9 | 41% | 0.411 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -75.2 | -43.1 | 173.4 | 56.5 | 0 | 0 | 0 | 0 | 111.5 | I391 E392 R397 K398 L399 | I391-T395 PolarHBondContact O-N 2.9Å; I391-T395 PolarHBondContact O-OG1 2.94Å; E392-T395 PolarHBondContact O-N 3.2Å; E392-T395 VanDerWaalsContact O-N 3.14Å; E392-T395 PolarHBondContact O-OG1 2.89Å; T395-R397 VanDerWaalsContact C-N 3.32Å; T395-R397 PolarHBondContact O-N 2.78Å; T395-K398 PolarHBondContact O-N 3.27Å; T395-L399 VanDerWaalsContact O-CD1 3.32Å; T395-L399 WeakPolarHBondContact O-CD1 3.5Å; T395-L399 PolarHBondContact O-N 2.94Å |
| 396 | Y | 96.2 | Very high | 88.1 | Confident | 144 Ų | 144 | 99 Ų | 99 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.4 | -42 | 173.9 | -70.3 | -55.8 | 0 | 0 | 0 | 112 | E392 L399 L400 | E392-Y396 HydrophobicContact CB-CD2 4.28Å; E392-Y396 HydrophobicContact CB-CE2 4Å; E392-Y396 WeakPolarHBondContact O-CD2 3.48Å; E392-Y396 PolarHBondContact O-N 3Å; Y396-L399 PolarHBondContact O-N 3.45Å; Y396-L400 WeakPolarHBondContact O-CG 3.5Å; Y396-L400 PolarHBondContact O-N 2.73Å |
| 397 | R | 94.5 | Very high | 86.1 | Confident | 158 Ų | 158 | 100.3 Ų | 100.3 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.6 | -49.9 | 172.8 | -78 | 172.6 | -176.2 | 168.2 | 3.9 | 112.3 | I393 T395 L399 L400 E401 | I393-R397 WeakPolarHBondContact O-CB 3.39Å; I393-R397 VanDerWaalsContact O-CG 3.24Å; I393-R397 WeakPolarHBondContact O-CG 3.43Å; I393-R397 PolarHBondContact O-N 2.88Å; T395-R397 VanDerWaalsContact C-N 3.32Å; T395-R397 PolarHBondContact O-N 2.78Å; R397-L399 VanDerWaalsContact C-N 3.29Å; R397-L399 PolarHBondContact O-N 2.98Å; R397-L400 PolarHBondContact O-N 3.02Å; R397-L400 VanDerWaalsContact O-N 3.12Å; R397-E401 WeakPolarHBondContact O-CB 3.31Å; R397-E401 VanDerWaalsContact O-CG 3.27Å; R397-E401 WeakPolarHBondContact O-CG 3.39Å; R397-E401 PolarHBondContact O-N 3.3Å |
| 398 | K | 93.3 | Very high | 83.4 | Confident | 146 Ų | 146 | 99.4 Ų | 99.4 | 64% | 0.635 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.9 | -34.8 | 177.4 | -73.7 | 173.6 | 179.5 | -179.6 | 0 | 113.4 | A394 T395 G402 | A394-K398 WeakPolarHBondContact O-CG 3.35Å; A394-K398 PolarHBondContact O-N 3.45Å; T395-K398 PolarHBondContact O-N 3.27Å; K398-G402 PolarHBondContact O-N 3.45Å |
| 399 | L | 91.8 | Very high | 81.3 | Confident | 116 Ų | 116 | 103.5 Ų | 103.5 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.7 | -42 | 174.3 | -95.3 | 69 | 0 | 0 | 0 | 111.5 | T395 Y396 R397 G402 E403 | T395-L399 VanDerWaalsContact O-CD1 3.32Å; T395-L399 WeakPolarHBondContact O-CD1 3.5Å; T395-L399 PolarHBondContact O-N 2.94Å; Y396-L399 PolarHBondContact O-N 3.45Å; R397-L399 VanDerWaalsContact C-N 3.29Å; R397-L399 PolarHBondContact O-N 2.98Å; L399-G402 CarbonylContact O-C 3.52Å; L399-G402 WeakPolarHBondContact O-CA 3.41Å; L399-G402 PolarHBondContact O-N 3.5Å; L399-E403 PolarHBondContact O-N 3.03Å |
| 400 | L | 87.1 | Confident | 78.8 | Confident | 110 Ų | 110 | 104.9 Ų | 104.9 | 58% | 0.576 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.7 | -46.2 | 175.8 | -70.9 | 166.7 | 0 | 0 | 0 | 111.8 | Y396 R397 G402 E403 E404 | Y396-L400 WeakPolarHBondContact O-CG 3.5Å; Y396-L400 PolarHBondContact O-N 2.73Å; R397-L400 PolarHBondContact O-N 3.02Å; R397-L400 VanDerWaalsContact O-N 3.12Å; L400-G402 PolarHBondContact O-N 3.31Å; L400-E403 PolarHBondContact O-N 2.83Å; L400-E404 WeakPolarHBondContact O-CG 3.48Å; L400-E404 PolarHBondContact O-N 3.09Å |
| 401 | E | 84 | Confident | 76.3 | Confident | 106 Ų | 106 | 107.5 Ų | 107.5 | 50% | 0.495 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -54.6 | -37.1 | 170.8 | -70 | 159.2 | -162.2 | 0 | 0 | 111.3 | R397 S405 | R397-E401 WeakPolarHBondContact O-CB 3.31Å; R397-E401 VanDerWaalsContact O-CG 3.27Å; R397-E401 WeakPolarHBondContact O-CG 3.39Å; R397-E401 PolarHBondContact O-N 3.3Å; E401-S405 WeakPolarHBondContact O-CB 3.21Å; E401-S405 PolarHBondContact O-N 3.38Å; E401-S405 PolarHBondContact O-OG 3.13Å |
| 402 | G | 77.3 | Confident | 73.6 | Confident | 26 Ų | 26 | 110.3 Ų | 110.3 | 27% | 0.268 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -73.2 | -25 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | K398 L399 L400 R406 | K398-G402 PolarHBondContact O-N 3.45Å; L399-G402 CarbonylContact O-C 3.52Å; L399-G402 WeakPolarHBondContact O-CA 3.41Å; L399-G402 PolarHBondContact O-N 3.5Å; L400-G402 PolarHBondContact O-N 3.31Å; G402-R406 PolarHBondContact O-NE 2.93Å; G402-R406 PolarHBondContact O-NH2 2.98Å |
| 403 | E | 71.8 | Confident | 71 | Confident | 85 Ų | 85 | 111.1 Ų | 111.1 | 40% | 0.397 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -82.2 | -39.8 | 168.7 | -69.6 | -58.8 | 164.3 | 0 | 0 | 112.1 | L399 L400 S405 R406 I407 | L399-E403 PolarHBondContact O-N 3.03Å; L400-E403 PolarHBondContact O-N 2.83Å; E403-S405 PolarHBondContact O-N 2.93Å; E403-R406 VanDerWaalsContact CD-CZ 3.5Å; E403-R406 CarbonylContact O-C 3.57Å; E403-R406 WeakPolarHBondContact O-CA 3.32Å; E403-R406 WeakPolarHBondContact O-CB 3.37Å; E403-R406 PolarHBondContact O-N 3Å; E403-R406 IonicContact OE1-CZ 3.2Å; E403-R406 VanDerWaalsContact OE1-CZ 3.28Å; E403-R406 IonicContact OE1-NE 2.73Å; E403-R406 IonicContact OE1-NH2 2.78Å; E403-R406 PolarHBondContact OE1-NH2 3.26Å; E403-R406 IonicContact OE2-CZ 2.72Å; E403-R406 VanDerWaalsContact OE2-CZ 3.29Å; E403-R406 IonicContact OE2-NE 3.38Å; E403-R406 PolarHBondContact OE2-NE 3.11Å; E403-R406 IonicContact OE2-NH2 3.22Å; E403-R406 PolarHBondContact OE2-NH2 3.48Å; E403-I407 HydrophobicContact CB-CD1 4.45Å; E403-I407 WeakPolarHBondContact O-CB 3.32Å; E403-I407 WeakPolarHBondContact O-CG1 3.38Å; E403-I407 PolarHBondContact O-N 3.4Å |
| 404 | E | 64.4 | Low | 68.2 | Low | 130 Ų | 130 | 117.4 Ų | 117.4 | 61% | 0.607 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -59 | -35.8 | 171.2 | -70.5 | -179.9 | 178.2 | 0 | 0 | 110.9 | L400 R406 I407 S408 | L400-E404 WeakPolarHBondContact O-CG 3.48Å; L400-E404 PolarHBondContact O-N 3.09Å; E404-R406 VanDerWaalsContact C-N 3.25Å; E404-R406 PolarHBondContact O-N 2.83Å; E404-I407 PolarHBondContact O-N 2.82Å; E404-S408 WeakPolarHBondContact O-CB 3.5Å; E404-S408 PolarHBondContact O-N 2.78Å; E404-S408 PolarHBondContact O-OG 2.92Å |
| 405 | S | 59.2 | Low | 65.4 | Low | 92 Ų | 92 | 119.7 Ų | 119.7 | 64% | 0.643 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.9 | -21.3 | 170.5 | -61.4 | 0 | 0 | 0 | 0 | 114.6 | E401 E403 | E401-S405 WeakPolarHBondContact O-CB 3.21Å; E401-S405 PolarHBondContact O-N 3.38Å; E401-S405 PolarHBondContact O-OG 3.13Å; E403-S405 PolarHBondContact O-N 2.93Å |
| 406 | R | 63.3 | Low | 63 | Low | 172 Ų | 172 | 122.3 Ų | 122.3 | 65% | 0.649 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -94.4 | -28.1 | 174.8 | -75.6 | -177.2 | -76.4 | -123.5 | -15.6 | 113.1 | G402 E403 E404 | G402-R406 PolarHBondContact O-NE 2.93Å; G402-R406 PolarHBondContact O-NH2 2.98Å; E403-R406 VanDerWaalsContact CD-CZ 3.5Å; E403-R406 CarbonylContact O-C 3.57Å; E403-R406 WeakPolarHBondContact O-CA 3.32Å; E403-R406 WeakPolarHBondContact O-CB 3.37Å; E403-R406 PolarHBondContact O-N 3Å; E403-R406 IonicContact OE1-CZ 3.2Å; E403-R406 VanDerWaalsContact OE1-CZ 3.28Å; E403-R406 IonicContact OE1-NE 2.73Å; E403-R406 IonicContact OE1-NH2 2.78Å; E403-R406 PolarHBondContact OE1-NH2 3.26Å; E403-R406 IonicContact OE2-CZ 2.72Å; E403-R406 VanDerWaalsContact OE2-CZ 3.29Å; E403-R406 IonicContact OE2-NE 3.38Å; E403-R406 PolarHBondContact OE2-NE 3.11Å; E403-R406 IonicContact OE2-NH2 3.22Å; E403-R406 PolarHBondContact OE2-NH2 3.48Å; E404-R406 VanDerWaalsContact C-N 3.25Å; E404-R406 PolarHBondContact O-N 2.83Å |
| 407 | I | 55.9 | Low | 60.3 | Low | 133 Ų | 133 | 123.2 Ų | 123.2 | 68% | 0.682 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -97.4 | -22.6 | -173.1 | -65 | 170.2 | 0 | 0 | 0 | 111.8 | E403 E404 V409 | E403-I407 HydrophobicContact CB-CD1 4.45Å; E403-I407 WeakPolarHBondContact O-CB 3.32Å; E403-I407 WeakPolarHBondContact O-CG1 3.38Å; E403-I407 PolarHBondContact O-N 3.4Å; E404-I407 PolarHBondContact O-N 2.82Å; I407-V409 PolarHBondContact O-N 3.03Å |
| 408 | S | 42.6 | Very low | 57.9 | Low | 80 Ų | 80 | 121.4 Ų | 121.4 | 56% | 0.559 | 67% | 0.674 | S | S | * | * | trans | -77.6 | 106.9 | 177.4 | 58.7 | 0 | 0 | 0 | 0 | 113.1 | E404 | E404-S408 WeakPolarHBondContact O-CB 3.5Å; E404-S408 PolarHBondContact O-N 2.78Å; E404-S408 PolarHBondContact O-OG 2.92Å | ||
| 409 | V | 52 | Low | 55.5 | Low | 131 Ų | 131 | 121.2 Ų | 121.2 | 79% | 0.794 | 68% | 0.679 | S | S | * | * | trans | -68.7 | 138.9 | 154.2 | 177.7 | 0 | 0 | 0 | 0 | 107.9 | I407 V411 | I407-V409 PolarHBondContact O-N 3.03Å; V409-V411 PolarHBondContact O-N 3.28Å | ||
| 410 | P | 46 | Very low | 53.1 | Low | 113 Ų | 113 | 124.7 Ų | 124.7 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | trans | -64.5 | 131.7 | -157.7 | -25.9 | 35.3 | 0 | 0 | 0 | 116 | ||||
| 411 | V | 43.2 | Very low | 50.6 | Low | 125 Ų | 125 | 125 Ų | 125 | 76% | 0.758 | 70% | 0.695 | S | S | * | * | trans | -133.7 | 137.7 | 153.9 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | V409 | V409-V411 PolarHBondContact O-N 3.28Š| ||
| 412 | H | 39.7 | Very low | 48.4 | Very low | 172 Ų | 172 | 125.8 Ų | 125.8 | 80% | 0.796 | 71% | 0.707 | S | S | * | * | trans | -66.1 | 147.3 | -155.1 | -54.3 | -73.9 | 0 | 0 | 0 | 117.6 | ||||
| 413 | S | 44 | Very low | 46.7 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | -37.9 | 152.1 | 166.9 | -34.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 414 | F | 35.1 | Very low | 45.3 | Very low | 213 Ų | 213 | 131.6 Ų | 131.6 | 93% | 0.934 | 75% | 0.745 | S | S | * | * | trans | -151.9 | 159.4 | 142.8 | -102.6 | -69.3 | 0 | 0 | 0 | 112.7 | ||||
| 415 | A | 37.9 | Very low | 43.8 | Very low | 88 Ų | 88 | 134 Ų | 134 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | 60.9 | 87.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 416 | S | 44 | Very low | 42.8 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | -69 | 129.8 | 157.4 | 54.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 417 | L | 38.9 | Very low | 41.8 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | -124.7 | 112.4 | 166.4 | -83.2 | 169.3 | 0 | 0 | 0 | 110.2 | I419 | L417-I419 PolarHBondContact O-N 3.19Š| ||
| 418 | S | 45.2 | Very low | 41.2 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | -91.1 | 98.3 | -178.9 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 419 | I | 42.3 | Very low | 41 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | -88.7 | 112.8 | 172.7 | -67.4 | 178 | 0 | 0 | 0 | 108.7 | L417 T421 | L417-I419 PolarHBondContact O-N 3.19Å; I419-T421 PolarHBondContact O-N 2.97Å; I419-T421 VanDerWaalsContact O-N 3.17Å | ||
| 420 | K | 41.7 | Very low | 40.3 | Very low | 188 Ų | 188 | 137.9 Ų | 137.9 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | trans | -76.8 | 93.5 | 170.7 | -71.8 | -177.4 | 176.5 | -178.9 | 0 | 109.8 | T422 | K420-T422 PolarHBondContact O-N 2.81Å; K420-T422 VanDerWaalsContact O-N 3.14Å | ||
| 421 | T | 33.8 | Very low | 39.7 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | trans | -78 | 93 | 168.9 | -52.3 | 0 | 0 | 0 | 0 | 109.7 | I419 V423 | I419-T421 PolarHBondContact O-N 2.97Å; I419-T421 VanDerWaalsContact O-N 3.17Å; T421-V423 PolarHBondContact O-N 3.45Å | ||
| 422 | T | 37.5 | Very low | 39.3 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 117.1 | 166.4 | 47.8 | 0 | 0 | 0 | 0 | 109.1 | K420 P424 | K420-T422 PolarHBondContact O-N 2.81Å; K420-T422 VanDerWaalsContact O-N 3.14Å; T422-P424 WeakPolarHBondContact O-CD 3.42Å |
| 423 | V | 42.1 | Very low | 39.2 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 121.4 | 174.1 | 178.2 | 0 | 0 | 0 | 0 | 108.9 | T421 | T421-V423 PolarHBondContact O-N 3.45Š|
| 424 | P | 41.8 | Very low | 39 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 120.2 | 162 | 31.5 | -29.5 | 0 | 0 | 0 | 108.7 | T422 | T422-P424 WeakPolarHBondContact O-CD 3.42Š|
| 425 | E | 33.8 | Very low | 39.8 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 130 | 171.1 | -173.2 | 165.3 | -168.5 | 0 | 0 | 109.4 | ||
| 426 | V | 38.7 | Very low | 40.4 | Very low | 136 Ų | 136 | 142.2 Ų | 142.2 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -100.8 | 94.8 | -179.8 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 427 | E | 40.8 | Very low | 40.8 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 147.3 | 165.5 | -73.4 | -156.9 | 144.4 | 0 | 0 | 110.8 | ||
| 428 | P | 43.3 | Very low | 41.7 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 151.2 | 173.8 | 30.1 | -35.3 | 0 | 0 | 0 | 111.2 | Q430 | P428-Q430 PolarHBondContact O-N 3.1Š|
| 429 | P | 39.6 | Very low | 42.2 | Very low | 129 Ų | 129 | 136 Ų | 136 | 84% | 0.838 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 123.5 | 180 | 26.9 | -34.4 | 0 | 0 | 0 | 111.1 | D431 | P429-D431 PolarHBondContact O-N 3.47Š|
| 430 | Q | 37 | Very low | 43.3 | Very low | 168 Ų | 168 | 133.4 Ų | 133.4 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 125.6 | 169.5 | -69.2 | -171.8 | -7.4 | 0 | 0 | 110.2 | P428 S432 | P428-Q430 PolarHBondContact O-N 3.1Å; Q430-S432 PolarHBondContact O-N 3.49Å |
| 431 | D | 33.3 | Very low | 44.2 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 76% | 0.759 | 70% | 0.698 | S | S | * | * | trans | -64.7 | 94.2 | 172.2 | -97.5 | -45.9 | 0 | 0 | 0 | 110.6 | P429 H433 | P429-D431 PolarHBondContact O-N 3.47Å; D431-H433 PolarHBondContact O-N 3.23Å | ||
| 432 | S | 34.5 | Very low | 45.7 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 77% | 0.769 | 69% | 0.686 | S | S | * | * | trans | -75.3 | 71.1 | 176.4 | 45.1 | 0 | 0 | 0 | 0 | 110.9 | Q430 S434 | Q430-S432 PolarHBondContact O-N 3.49Å; S432-S434 PolarHBondContact O-N 3.32Å | ||
| 433 | H | 37.7 | Very low | 47.2 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 69% | 0.69 | 67% | 0.672 | S | S | * | * | trans | -57.5 | 96.2 | 170.7 | -74.9 | -13.7 | 0 | 0 | 0 | 110.6 | D431 R435 | D431-H433 PolarHBondContact O-N 3.23Å; H433-R435 VanDerWaalsContact C-N 3.31Å; H433-R435 PolarHBondContact O-N 2.88Å | ||
| 434 | S | 39.7 | Very low | 48.2 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 70% | 0.699 | 67% | 0.665 | S | S | * | * | trans | -68.3 | 85.7 | 176.8 | 38.4 | 0 | 0 | 0 | 0 | 110.4 | S432 K436 | S432-S434 PolarHBondContact O-N 3.32Å; S434-K436 PolarHBondContact O-N 3.07Å | ||
| 435 | R | 51.2 | Low | 49.6 | Very low | 238 Ų | 238 | 125.6 Ų | 125.6 | 90% | 0.898 | 66% | 0.659 | S | S | * | * | trans | -58.5 | 99.9 | 173.2 | -75.8 | 178.4 | 167.6 | 155 | -5.6 | 109.8 | H433 T437 | H433-R435 VanDerWaalsContact C-N 3.31Å; H433-R435 PolarHBondContact O-N 2.88Å; R435-T437 PolarHBondContact O-N 3.35Å | ||
| 436 | K | 51.8 | Low | 50.6 | Low | 171 Ų | 171 | 126.1 Ų | 126.1 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | trans | -72.7 | 106 | 176 | -62.9 | -180 | -176.9 | 177.9 | 0 | 109.4 | S434 | S434-K436 PolarHBondContact O-N 3.07Š| ||
| 437 | T | 51.4 | Low | 51.4 | Low | 86 Ų | 86 | 127.2 Ų | 127.2 | 53% | 0.528 | 65% | 0.654 | S | S | . | * | trans | -71.8 | 134.8 | 163.5 | 41.8 | 0 | 0 | 0 | 0 | 109.3 | R435 | R435-T437 PolarHBondContact O-N 3.35Š| ||
| 438 | V | 58.7 | Low | 52.8 | Low | 83 Ų | 83 | 123.5 Ų | 123.5 | 50% | 0.503 | 66% | 0.657 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.6 | 113 | 174.9 | -178.4 | 0 | 0 | 0 | 0 | 107.7 | I440 | V438-I440 HydrophobicContact CG1-CG1 4.12Å |
| 439 | L | 56.5 | Low | 53.7 | Low | 104 Ų | 104 | 126 Ų | 126 | 55% | 0.545 | 66% | 0.66 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.6 | 116.4 | 167.9 | -98.9 | 69.6 | 0 | 0 | 0 | 108.6 | E457 | L439-E457 HydrophobicContact CD1-CG 4.43Å |
| 440 | I | 63.4 | Low | 55.2 | Low | 88 Ų | 88 | 124 Ų | 124 | 45% | 0.451 | 65% | 0.645 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96 | 113.1 | 168.5 | -56.3 | 178.5 | 0 | 0 | 0 | 106.8 | V438 | V438-I440 HydrophobicContact CG1-CG1 4.12Å |
| 441 | K | 62.2 | Low | 56.6 | Low | 106 Ų | 106 | 120.8 Ų | 120.8 | 46% | 0.461 | 64% | 0.637 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.5 | 126.3 | 164.2 | -75.4 | -155.1 | 177.4 | -160.1 | 0 | 108.6 | I443 E453 Q455 | K441-I443 HydrophobicContact CB-CG1 4.48Å; K441-E453 WeakPolarHBondContact CE-OE1 3.39Å; K441-E453 VanDerWaalsContact NZ-CD 3.25Å; K441-E453 IonicContact NZ-OE1 3.29Å; K441-E453 PolarHBondContact NZ-OE1 2.96Å; K441-E453 IonicContact NZ-OE2 2.9Å; K441-E453 PolarHBondContact NZ-OE2 2.85Å; K441-Q455 HydrophobicContact CG-CG 4.32Å |
| 442 | T | 65 | Low | 58 | Low | 77 Ų | 77 | 117.6 Ų | 117.6 | 47% | 0.472 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.1 | 124.3 | 165.6 | -50.4 | 0 | 0 | 0 | 0 | 107.8 | S454 | T442-S454 PolarHBondContact N-O 2.98Å; T442-S454 PolarHBondContact O-N 3.2Å |
| 443 | I | 68.9 | Low | 59.7 | Low | 87 Ų | 87 | 116.8 Ų | 116.8 | 45% | 0.446 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.3 | 116.2 | -175.5 | -59 | 174 | 0 | 0 | 0 | 107.3 | K441 T445 V450 E453 | K441-I443 HydrophobicContact CB-CG1 4.48Å; I443-T445 HydrophobicContact CG2-CG2 4.18Å; I443-V450 HydrophobicContact CG2-CB 4.43Å; I443-V450 HydrophobicContact CG2-CG1 3.78Å; I443-V450 HydrophobicContact CG2-CG2 3.85Å; I443-E453 HydrophobicContact CG1-CG 4.46Å |
| 444 | E | 63.3 | Low | 60.9 | Low | 131 Ų | 131 | 113 Ų | 113 | 61% | 0.612 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97 | 106.1 | 174.1 | -69.7 | -171.2 | 168.9 | 0 | 0 | 109.9 | V451 T452 | E444-V451 PolarHBondContact O-N 2.84Å; E444-V451 VanDerWaalsContact O-N 3.09Å; E444-T452 PolarHBondContact N-O 3.12Å |
| 445 | T | 70.5 | Confident | 62.1 | Low | 95 Ų | 95 | 114 Ų | 114 | 58% | 0.583 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.3 | 132.4 | 173.6 | 49.5 | 0 | 0 | 0 | 0 | 111.1 | I443 E449 V450 | I443-T445 HydrophobicContact CG2-CG2 4.18Å; T445-E449 WeakPolarHBondContact CA-O 3.3Å; T445-V450 HydrophobicContact CG2-CG2 3.94Å |
| 446 | R | 54.6 | Low | 62.4 | Low | 192 Ų | 192 | 110.2 Ų | 110.2 | 73% | 0.725 | 58% | 0.581 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -130.7 | 129 | 168.6 | -172.4 | 174.5 | -179.2 | 179.9 | 0.9 | 108.9 | G448 E449 V451 | R446-G448 PolarHBondContact O-N 3.16Å; R446-E449 PolarHBondContact N-O 3.43Å; R446-E449 PolarHBondContact O-N 2.9Å; R446-V451 HydrophobicContact CB-CG2 4.15Å |
| 447 | N | 56.9 | Low | 62.7 | Low | 159 Ų | 159 | 106.9 Ų | 106.9 | 85% | 0.85 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56 | 28.3 | -178.6 | -54.4 | 1 | 0 | 0 | 0 | 114.4 | ||
| 448 | G | 69.4 | Low | 62.8 | Low | 75 Ų | 75 | 108.9 Ų | 108.9 | 77% | 0.773 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.5 | -13.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | R446 | R446-G448 PolarHBondContact O-N 3.16Š|
| 449 | E | 61.3 | Low | 62.3 | Low | 155 Ų | 155 | 113.6 Ų | 113.6 | 72% | 0.724 | 58% | 0.58 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98 | 146.9 | 174.7 | -64.9 | -172.8 | 155.6 | 0 | 0 | 111.5 | T445 R446 V451 | T445-E449 WeakPolarHBondContact CA-O 3.3Å; R446-E449 PolarHBondContact N-O 3.43Å; R446-E449 PolarHBondContact O-N 2.9Å; E449-V451 PolarHBondContact O-N 3.38Å |
| 450 | V | 70.9 | Confident | 61.9 | Low | 87 Ų | 87 | 112.7 Ų | 112.7 | 53% | 0.527 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.1 | 110.2 | 176.7 | 174.4 | 0 | 0 | 0 | 0 | 108.5 | I443 T445 | I443-V450 HydrophobicContact CG2-CB 4.43Å; I443-V450 HydrophobicContact CG2-CG1 3.78Å; I443-V450 HydrophobicContact CG2-CG2 3.85Å; T445-V450 HydrophobicContact CG2-CG2 3.94Å |
| 451 | V | 67.6 | Low | 61.1 | Low | 102 Ų | 102 | 117.3 Ų | 117.3 | 62% | 0.618 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.4 | -34.6 | -173.7 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | E444 R446 E449 | E444-V451 PolarHBondContact O-N 2.84Å; E444-V451 VanDerWaalsContact O-N 3.09Å; R446-V451 HydrophobicContact CB-CG2 4.15Å; E449-V451 PolarHBondContact O-N 3.38Å |
| 452 | T | 61.4 | Low | 60.2 | Low | 75 Ų | 75 | 120 Ų | 120 | 46% | 0.46 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -140.6 | 144.2 | 167.6 | 68.1 | 0 | 0 | 0 | 0 | 111.4 | E444 | E444-T452 PolarHBondContact N-O 3.12Å |
| 453 | E | 71.7 | Confident | 59 | Low | 93 Ų | 93 | 122.6 Ų | 122.6 | 44% | 0.435 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.5 | 163.8 | -171.4 | -170.2 | 135.7 | 0 | 0 | 108.1 | K441 I443 Q455 | K441-E453 WeakPolarHBondContact CE-OE1 3.39Å; K441-E453 VanDerWaalsContact NZ-CD 3.25Å; K441-E453 IonicContact NZ-OE1 3.29Å; K441-E453 PolarHBondContact NZ-OE1 2.96Å; K441-E453 IonicContact NZ-OE2 2.9Å; K441-E453 PolarHBondContact NZ-OE2 2.85Å; I443-E453 HydrophobicContact CG1-CG 4.46Å; E453-Q455 WeakPolarHBondContact OE1-CG 3.45Å; E453-Q455 PolarHBondContact OE1-NE2 3.45Å |
| 454 | S | 63.2 | Low | 58 | Low | 69 Ų | 69 | 127.8 Ų | 127.8 | 48% | 0.483 | 65% | 0.651 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.5 | 136.3 | 169.4 | 64.6 | 0 | 0 | 0 | 0 | 111 | T442 | T442-S454 PolarHBondContact N-O 2.98Å; T442-S454 PolarHBondContact O-N 3.2Å |
| 455 | Q | 65 | Low | 57 | Low | 120 Ų | 120 | 126.3 Ų | 126.3 | 56% | 0.561 | 66% | 0.655 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.7 | 177.9 | -58.1 | -174.4 | 11.7 | 0 | 0 | 108.7 | K441 E453 | K441-Q455 HydrophobicContact CG-CG 4.32Å; E453-Q455 WeakPolarHBondContact OE1-CG 3.45Å; E453-Q455 PolarHBondContact OE1-NE2 3.45Å |
| 456 | K | 56.8 | Low | 55.8 | Low | 159 Ų | 159 | 127.8 Ų | 127.8 | 69% | 0.691 | 67% | 0.669 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -129.6 | 111.2 | 176.1 | -165.1 | 173.6 | -176.5 | 179.3 | 0 | 109.8 | Q458 | K456-Q458 PolarHBondContact O-N 2.88Å |
| 457 | E | 57.2 | Low | 55.4 | Low | 102 Ų | 102 | 122.5 Ų | 122.5 | 48% | 0.477 | 67% | 0.666 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.8 | 116.6 | 171.5 | -170.5 | -167.7 | 152.9 | 0 | 0 | 108.4 | L439 R459 | L439-E457 HydrophobicContact CD1-CG 4.43Å; E457-R459 IonicContact OE1-CZ 3.29Å; E457-R459 VanDerWaalsContact OE1-CZ 3.29Å; E457-R459 IonicContact OE1-NE 3.4Å; E457-R459 PolarHBondContact OE1-NE 3.09Å; E457-R459 IonicContact OE1-NH2 3.61Å; E457-R459 PolarHBondContact OE1-NH2 3.31Å; E457-R459 IonicContact OE2-NH2 2.68Å |
| 458 | Q | 53.3 | Low | 54.6 | Low | 127 Ų | 127 | 124.1 Ų | 124.1 | 59% | 0.593 | 67% | 0.669 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114.9 | 112.3 | 175.1 | -165.5 | 168.3 | 3.1 | 0 | 0 | 109.6 | K456 | K456-Q458 PolarHBondContact O-N 2.88Å |
| 459 | R | 50 | Low | 53.3 | Low | 182 Ų | 182 | 126.3 Ų | 126.3 | 69% | 0.687 | 67% | 0.672 | S | S | * | * | trans | -84.2 | 120.4 | 176.5 | -64.3 | -178.6 | -178.9 | 176.6 | 3.3 | 109.1 | E457 E461 | E457-R459 IonicContact OE1-CZ 3.29Å; E457-R459 VanDerWaalsContact OE1-CZ 3.29Å; E457-R459 IonicContact OE1-NE 3.4Å; E457-R459 PolarHBondContact OE1-NE 3.09Å; E457-R459 IonicContact OE1-NH2 3.61Å; E457-R459 PolarHBondContact OE1-NH2 3.31Å; E457-R459 IonicContact OE2-NH2 2.68Å; R459-E461 PolarHBondContact O-N 3.09Å | ||
| 460 | S | 47.9 | Very low | 52.5 | Low | 86 Ų | 86 | 133.2 Ų | 133.2 | 60% | 0.601 | 69% | 0.693 | S | S | * | * | trans | -85.7 | 96.3 | 176.4 | 42.1 | 0 | 0 | 0 | 0 | 110.8 | L462 | S460-L462 VanDerWaalsContact C-N 3.33Å; S460-L462 PolarHBondContact O-N 3.22Å | ||
| 461 | E | 45.7 | Very low | 51.6 | Low | 185 Ų | 185 | 135.5 Ų | 135.5 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | trans | -77.5 | 86.4 | 166.9 | -66.2 | -171.6 | 156 | 0 | 0 | 109.5 | R459 D463 | R459-E461 PolarHBondContact O-N 3.09Å; E461-D463 VanDerWaalsContact C-N 3.28Å; E461-D463 PolarHBondContact O-N 2.97Å; E461-D463 VanDerWaalsContact O-N 3.08Å | ||
| 462 | L | 43.3 | Very low | 50.7 | Low | 163 Ų | 163 | 137.3 Ų | 137.3 | 85% | 0.853 | 71% | 0.706 | S | S | * | * | trans | -77.1 | 81.4 | 166.4 | -76.6 | 171.1 | 0 | 0 | 0 | 109.2 | S460 | S460-L462 VanDerWaalsContact C-N 3.33Å; S460-L462 PolarHBondContact O-N 3.22Å | ||
| 463 | D | 39.8 | Very low | 50.1 | Low | 130 Ų | 130 | 140.7 Ų | 140.7 | 70% | 0.695 | 72% | 0.72 | S | S | * | * | trans | -72.5 | 148.1 | 176.8 | -175.5 | 38.2 | 0 | 0 | 0 | 112.6 | E461 S465 | E461-D463 VanDerWaalsContact C-N 3.28Å; E461-D463 PolarHBondContact O-N 2.97Å; E461-D463 VanDerWaalsContact O-N 3.08Å; D463-S465 PolarHBondContact O-N 3.1Å; D463-S465 PolarHBondContact OD2-OG 3.44Å | ||
| 464 | K | 49.1 | Very low | 48.8 | Very low | 196 Ų | 196 | 143.5 Ų | 143.5 | 85% | 0.852 | 74% | 0.737 | S | S | * | * | trans | -101 | 67.2 | -178.3 | -82.4 | -175.6 | 173.3 | 176.1 | 0 | 111.4 | ||||
| 465 | S | 40.6 | Very low | 47.9 | Very low | 101 Ų | 101 | 148.2 Ų | 148.2 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | -103.8 | 51.2 | 177.6 | 28.1 | 0 | 0 | 0 | 0 | 113.1 | D463 | D463-S465 PolarHBondContact O-N 3.1Å; D463-S465 PolarHBondContact OD2-OG 3.44Å | ||
| 466 | S | 46.2 | Very low | 46.8 | Very low | 125 Ų | 125 | 150.1 Ų | 150.1 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | -129.3 | 69.2 | 168.4 | -166.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 467 | A | 45.7 | Very low | 46.1 | Very low | 81 Ų | 81 | 149.4 Ų | 149.4 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | trans | -158.1 | 139.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 468 | H | 40.3 | Very low | 45.2 | Very low | 194 Ų | 194 | 153.1 Ų | 153.1 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | trans | 63.7 | 94.2 | 173.8 | -62.7 | 69.6 | 0 | 0 | 0 | 117.6 | ||||
| 469 | S | 42.5 | Very low | 44.6 | Very low | 120 Ų | 120 | 155.3 Ų | 155.3 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | -142.6 | 136.8 | 112.1 | -153 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 470 | Y | 43.7 | Very low | 44.1 | Very low | 300 Ų | 300 | 152.8 Ų | 152.8 | 100% | 1.176 | 82% | 0.821 | S | S | * | * | trans | -89.6 | 0 | 145.2 | -100.8 | -87 | 0 | 0 | 0 | 108.4 |
Retrieved 470 of 470 residues in 142.8 ms
(Link to these results)