| 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 | 40.1 | Very low | 45.1 | Very low | 243 Ų | 243 | 143.3 Ų | 143.3 | 100% | 1.197 | 82% | 0.822 | S | S | * | * | 0 | 147.2 | 0 | -74.1 | 69.9 | -175.8 | 0 | 0 | 108.3 | |||||
| 2 | A | 52.3 | Low | 44.2 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | trans | -72.8 | 153.9 | -159.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 3 | A | 42.6 | Very low | 43.7 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -154.2 | 100.8 | 145.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 4 | A | 44.7 | Very low | 44.3 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | 95.8 | 122.6 | 85.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 5 | D | 44.2 | Very low | 44.1 | Very low | 156 Ų | 156 | 130 Ų | 130 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -47.9 | 179.3 | 165.7 | -71.9 | -57.3 | 0 | 0 | 0 | 114 | ||||
| 6 | P | 55.6 | Low | 44.1 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | cis | -141.1 | 179.4 | 11.3 | 26 | 1.1 | 0 | 0 | 0 | 116.8 | ||||
| 7 | R | 44.5 | Very low | 43.9 | Very low | 242 Ų | 242 | 135.5 Ų | 135.5 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | trans | -46.2 | 145.9 | 165.9 | -55.1 | 173.2 | 173.6 | -178.8 | -3.4 | 114.9 | ||||
| 8 | F | 36.3 | Very low | 43.4 | Very low | 194 Ų | 194 | 132.6 Ų | 132.6 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | -171.5 | 134.7 | 127.7 | -156.6 | -124.6 | 0 | 0 | 0 | 113.4 | |||||
| 9 | S | 41.8 | Very low | 43 | Very low | 79 Ų | 79 | 129.6 Ų | 129.6 | 55% | 0.552 | 82% | 0.817 | S | S | * | * | trans | 59.2 | 154.1 | 145 | -87.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 10 | S | 48.8 | Very low | 42.5 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 57% | 0.573 | 82% | 0.822 | S | S | * | * | cis | 177.4 | 157.3 | -20.1 | 47 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 11 | N | 44.7 | Very low | 42.9 | Very low | 156 Ų | 156 | 133 Ų | 133 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | trans | 74.6 | 126.4 | 169.7 | -47.2 | -31.4 | 0 | 0 | 0 | 114.2 | ||||
| 12 | G | 34.4 | Very low | 43 | Very low | 84 Ų | 84 | 126.2 Ų | 126.2 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | cis | 121.4 | 96.2 | 30.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 13 | G | 37.9 | Very low | 42.2 | Very low | 68 Ų | 68 | 124.3 Ų | 124.3 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | 165.5 | 110.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 14 | P | 51.8 | Low | 42.1 | Very low | 139 Ų | 139 | 128.7 Ų | 128.7 | 90% | 0.903 | 80% | 0.796 | S | S | * | * | trans | -71.6 | 137.8 | -178.8 | 27.5 | -31.4 | 0 | 0 | 0 | 111.5 | ||||
| 15 | A | 41.8 | Very low | 41.9 | Very low | 83 Ų | 83 | 129.7 Ų | 129.7 | 69% | 0.686 | 80% | 0.798 | S | S | * | * | trans | -68.3 | 140.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 16 | S | 43.6 | Very low | 42.1 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | 48.2 | 129 | 124 | -43.4 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 17 | R | 41.3 | Very low | 41.6 | Very low | 249 Ų | 249 | 126.9 Ų | 126.9 | 94% | 0.94 | 79% | 0.793 | S | S | * | * | 165.9 | 141.7 | 99 | -93 | 173.3 | 171.2 | 175.9 | -3.6 | 113.8 | |||||
| 18 | G | 34.9 | Very low | 41.4 | Very low | 83 Ų | 83 | 121.7 Ų | 121.7 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | 99.4 | 125.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 19 | G | 35.5 | Very low | 42.1 | Very low | 76 Ų | 76 | 124.1 Ų | 124.1 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | cis | 173.5 | 136.4 | 2.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 20 | F | 33.7 | Very low | 42.3 | Very low | 209 Ų | 209 | 127.9 Ų | 127.9 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -99.6 | 155.5 | 160.6 | -72.4 | -74 | 0 | 0 | 0 | 106.7 | ||||
| 21 | P | 51.1 | Low | 42.1 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | cis | -149.7 | 174.4 | 39.1 | 39.4 | -17.3 | 0 | 0 | 0 | 118.5 | ||||
| 22 | A | 41.2 | Very low | 42.6 | Very low | 102 Ų | 102 | 126.3 Ų | 126.3 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | 60 | 119.4 | 143.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 23 | G | 36.1 | Very low | 42.9 | Very low | 65 Ų | 65 | 126 Ų | 126 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | trans | -174.9 | 69.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 24 | E | 40.6 | Very low | 43 | Very low | 193 Ų | 193 | 126.3 Ų | 126.3 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | 0.2 | 121.4 | 140.9 | 40.2 | -176.5 | 97.4 | 0 | 0 | 117.3 | ||||
| 25 | S | 39.9 | Very low | 42.7 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -168 | 114.4 | 141 | 36.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 26 | S | 47.7 | Very low | 42.9 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -59.5 | 138.1 | 164 | 41.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 27 | S | 47.1 | Very low | 42.9 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | -131.5 | 95.2 | 157.5 | 59.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 28 | D | 39.3 | Very low | 42.8 | Very low | 133 Ų | 133 | 119.6 Ų | 119.6 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | -49.5 | 139.2 | 165.1 | -60.7 | -74.9 | 0 | 0 | 0 | 111 | ||||
| 29 | R | 50.8 | Low | 43.2 | Very low | 245 Ų | 245 | 119.8 Ų | 119.8 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | -106.3 | 103 | 166.7 | -73.1 | -174.1 | 178.4 | 169.5 | 0.4 | 107.7 | G31 | R29-G31 PolarHBondContact O-N 3.43Š| ||
| 30 | D | 45.5 | Very low | 43.1 | Very low | 158 Ų | 158 | 119.7 Ų | 119.7 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 122 | 167.6 | -68.5 | -65.5 | 0 | 0 | 0 | 110.6 | ||
| 31 | G | 45.3 | Very low | 44 | Very low | 66 Ų | 66 | 118.9 Ų | 118.9 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 150.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | R29 | R29-G31 PolarHBondContact O-N 3.43Š|
| 32 | P | 54.4 | Low | 43.9 | Very low | 139 Ų | 139 | 118.3 Ų | 118.3 | 90% | 0.903 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 129.2 | 173.2 | 32.5 | -28.9 | 0 | 0 | 0 | 109.9 | ||
| 33 | G | 41.8 | Very low | 44.5 | Very low | 78 Ų | 78 | 121.7 Ų | 121.7 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -99 | 149.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 34 | G | 40 | Very low | 45 | Very low | 73 Ų | 73 | 127.1 Ų | 127.1 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | 87.3 | 142.1 | 154.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 35 | S | 45.1 | Very low | 45.5 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | cis | -172 | 168 | 5 | -61.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 36 | S | 45.3 | Very low | 46.2 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | 94.4 | 108.9 | 160.2 | 75.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 37 | S | 43.8 | Very low | 46.7 | Very low | 128 Ų | 128 | 127 Ų | 127 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | -154.3 | 103.1 | 133 | -70.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 38 | G | 39.1 | Very low | 47.8 | Very low | 77 Ų | 77 | 126.2 Ų | 126.2 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -76.7 | 165.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 39 | G | 43.4 | Very low | 49.8 | Very low | 87 Ų | 87 | 124.5 Ų | 124.5 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | trans | 78.2 | 102.7 | 160 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 40 | G | 34.6 | Very low | 51.6 | Low | 74 Ų | 74 | 118.1 Ų | 118.1 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | trans | -171.7 | 50 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S42 | G40-S42 PolarHBondContact O-N 2.91Å; G40-S42 VanDerWaalsContact O-N 3.15Å | ||
| 41 | E | 52.8 | Low | 53.7 | Low | 192 Ų | 192 | 110.6 Ų | 110.6 | 90% | 0.897 | 71% | 0.714 | S | S | * | * | trans | -65.2 | 102 | 159 | 38.8 | -169.3 | 120.9 | 0 | 0 | 108.5 | ||||
| 42 | S | 48.3 | Very low | 55.8 | Low | 107 Ų | 107 | 111.2 Ų | 111.2 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | trans | 167.1 | 134.2 | 137.7 | 44 | 0 | 0 | 0 | 0 | 113.1 | G40 | G40-S42 PolarHBondContact O-N 2.91Å; G40-S42 VanDerWaalsContact O-N 3.15Å | ||
| 43 | E | 53.7 | Low | 57.6 | Low | 173 Ų | 173 | 107.8 Ų | 107.8 | 81% | 0.808 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 67.2 | 68.1 | 145.1 | -132.9 | 80.7 | 176.9 | 0 | 0 | 118.2 | ||
| 44 | R | 46.9 | Very low | 59.9 | Low | 179 Ų | 179 | 106.9 Ų | 106.9 | 68% | 0.675 | 66% | 0.656 | S | S | * | * | -166.8 | 94.2 | 126.9 | -106.1 | 175.7 | -86.1 | -154.9 | -0 | 107.2 | R46 | R44-R46 HydrophobicContact CB-CG 4.2Å; R44-R46 PolarHBondContact O-N 3.16Å | |||
| 45 | D | 50.5 | Low | 62.3 | Low | 177 Ų | 177 | 109.2 Ų | 109.2 | 95% | 0.947 | 65% | 0.651 | S | S | * | * | trans | -61.7 | 61.7 | 153.3 | -76.9 | -40.1 | 0 | 0 | 0 | 108.6 | A47 | D45-A47 VanDerWaalsContact C-N 3.31Å; D45-A47 PolarHBondContact O-N 3.36Å | ||
| 46 | R | 55.2 | Low | 64.3 | Low | 151 Ų | 151 | 107.6 Ų | 107.6 | 57% | 0.57 | 63% | 0.633 | S | S | * | * | trans | -59.1 | 110 | 153.1 | -79 | 174.9 | 166.4 | 136.8 | -2.5 | 102.1 | R44 T48 | R44-R46 HydrophobicContact CB-CG 4.2Å; R44-R46 PolarHBondContact O-N 3.16Å; R46-T48 PolarHBondContact O-N 3.48Å | ||
| 47 | A | 58.3 | Low | 66.3 | Low | 85 Ų | 85 | 106 Ų | 106 | 70% | 0.702 | 62% | 0.618 | S | S | * | * | trans | -55.1 | 87 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | D45 F49 | D45-A47 VanDerWaalsContact C-N 3.31Å; D45-A47 PolarHBondContact O-N 3.36Å; A47-F49 PolarHBondContact O-N 3.19Å | ||
| 48 | T | 69.9 | Low | 68.2 | Low | 98 Ų | 98 | 100.7 Ų | 100.7 | 60% | 0.601 | 58% | 0.582 | S | S | * | * | trans | -75.1 | 110.9 | 176.6 | 44.5 | 0 | 0 | 0 | 0 | 104.5 | R46 E50 | R46-T48 PolarHBondContact O-N 3.48Å; T48-E50 PolarHBondContact O-N 3.46Å; T48-E50 VanDerWaalsContact O-N 3.11Å | ||
| 49 | F | 80.9 | Confident | 70.3 | Confident | 97 Ų | 97 | 105.6 Ų | 105.6 | 43% | 0.425 | 58% | 0.577 | S | S | . | * | trans | -62.5 | 115.9 | 174 | -62.4 | -70.3 | 0 | 0 | 0 | 108.2 | A47 A58 L69 L103 | A47-F49 PolarHBondContact O-N 3.19Å; F49-A58 HydrophobicContact CB-CB 4.32Å; F49-A58 WeakPolarHBondContact O-CB 3.14Å; F49-A58 PolarHBondContact O-N 3.47Å; F49-L69 HydrophobicContact CB-CD1 3.74Å; F49-L69 HydrophobicContact CB-CD2 4.02Å; F49-L69 HydrophobicContact CD1-CD1 3.49Å; F49-L69 VanDerWaalsContact CD1-CD1 3.49Å; F49-L69 HydrophobicContact CE1-CD1 4.41Å; F49-L69 HydrophobicContact CG-CD1 3.91Å; F49-L103 HydrophobicContact CE1-CD1 4.31Å | ||
| 50 | E | 87.8 | Confident | 72.3 | Confident | 111 Ų | 111 | 107.2 Ų | 107.2 | 52% | 0.519 | 57% | 0.565 | S | S | . | * | B | Isolated β-bridge | trans | -101 | 135.9 | -179.6 | -168.2 | -174.8 | 158.2 | 0 | 0 | 110.3 | T48 L69 | T48-E50 PolarHBondContact O-N 3.46Å; T48-E50 VanDerWaalsContact O-N 3.11Å; E50-L69 WeakPolarHBondContact O-CD2 3.48Å |
| 51 | C | 90.9 | Very high | 74.9 | Confident | 0 Ų | 0 | 104.1 Ų | 104.1 | 0% | 0 | 53% | 0.532 | C | S | . | . | trans | -84.1 | 127 | 177.5 | 170.9 | 0 | 0 | 0 | 0 | 111.8 | I53 C54 L55 D56 A58 C71 | C51-I53 PolarHBondContact O-N 2.86Å; C51-I53 PolarHBondContact SG-N 3.47Å; C51-I53 VanDerWaalsContact SG-N 3.36Å; C51-C54 VanDerWaalsContact CB-SG 3.53Å; C51-L55 VanDerWaalsContact O-CA 3.26Å; C51-L55 WeakPolarHBondContact O-CA 3.23Å; C51-L55 PolarHBondContact O-N 2.97Å; C51-D56 PolarHBondContact N-O 3.15Å; C51-A58 HydrophobicContact CB-CB 4.19Å; C51-C71 WeakPolarHBondContact CB-SG 3.43Å; C51-C71 PolarHBondContact SG-N 3.02Å | ||
| 52 | N | 89.8 | Confident | 76.7 | Confident | 79 Ų | 79 | 95.2 Ų | 95.2 | 42% | 0.422 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 4.2 | 179.4 | -68.4 | -87.2 | 0 | 0 | 0 | 115.5 | L69 F70 V90 | N52-L69 PolarHBondContact N-O 3.44Å; N52-L69 PolarHBondContact ND2-O 3.47Å; N52-F70 HydrophobicContact CB-CD1 4.01Å; N52-F70 HydrophobicContact CB-CE1 3.64Å; N52-V90 HydrophobicContact CB-CG2 3.82Å |
| 53 | I | 90.9 | Very high | 78.8 | Confident | 66 Ų | 66 | 92.1 Ų | 92.1 | 34% | 0.338 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -49.4 | 177.1 | -65.3 | 162.9 | 0 | 0 | 0 | 110.4 | C51 F70 C74 P89 | C51-I53 PolarHBondContact O-N 2.86Å; C51-I53 PolarHBondContact SG-N 3.47Å; C51-I53 VanDerWaalsContact SG-N 3.36Å; I53-F70 HydrophobicContact CD1-CB 4.34Å; I53-F70 HydrophobicContact CD1-CD1 3.54Å; I53-F70 HydrophobicContact CD1-CE1 4.13Å; I53-F70 HydrophobicContact CD1-CG 4.14Å; I53-F70 HydrophobicContact CG1-CD1 3.65Å; I53-F70 HydrophobicContact CG1-CE1 4.01Å; I53-C74 HydrophobicContact CB-CB 3.92Å; I53-C74 HydrophobicContact CD1-CB 3.71Å; I53-C74 HydrophobicContact CG1-CB 4.43Å; I53-C74 HydrophobicContact CG2-CB 3.92Å; I53-P89 HydrophobicContact CD1-CG 4.13Å; I53-P89 HydrophobicContact CG1-CG 4.26Å |
| 54 | C | 91 | Very high | 80.6 | Confident | 59 Ų | 59 | 84 Ų | 84 | 40% | 0.399 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -8.9 | -179 | 68.5 | 0 | 0 | 0 | 0 | 114.3 | C51 D56 | C51-C54 VanDerWaalsContact CB-SG 3.53Å; C54-D56 PolarHBondContact O-N 3.07Å |
| 55 | L | 89.7 | Confident | 82.7 | Confident | 123 Ų | 123 | 80.7 Ų | 80.7 | 64% | 0.644 | 42% | 0.421 | S | S | * | . | trans | 55 | 36.5 | 178.9 | -50.2 | 178.1 | 0 | 0 | 0 | 113.1 | C51 | C51-L55 VanDerWaalsContact O-CA 3.26Å; C51-L55 WeakPolarHBondContact O-CA 3.23Å; C51-L55 PolarHBondContact O-N 2.97Å | ||
| 56 | D | 88 | Confident | 84.6 | Confident | 80 Ų | 80 | 74.4 Ų | 74.4 | 43% | 0.428 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -135.3 | 171.1 | 179.7 | -167.4 | 6.3 | 0 | 0 | 0 | 108.9 | C51 C54 A58 R59 | C51-D56 PolarHBondContact N-O 3.15Å; C54-D56 PolarHBondContact O-N 3.07Å; D56-A58 PolarHBondContact O-N 2.8Å; D56-R59 IonicContact OD2-NH2 3.94Å |
| 57 | T | 86.6 | Confident | 86.3 | Confident | 83 Ų | 83 | 69.7 Ų | 69.7 | 51% | 0.509 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -53.4 | 119.3 | 176.7 | -55.3 | 0 | 0 | 0 | 0 | 110.1 | R59 | T57-R59 PolarHBondContact O-N 3.18Å |
| 58 | A | 84.1 | Confident | 87.9 | Confident | 17 Ų | 17 | 67.8 Ų | 67.8 | 14% | 0.14 | 37% | 0.365 | C | S | . | . | trans | -68.9 | 114.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F49 C51 D56 A61 L69 | F49-A58 HydrophobicContact CB-CB 4.32Å; F49-A58 WeakPolarHBondContact O-CB 3.14Å; F49-A58 PolarHBondContact O-N 3.47Å; C51-A58 HydrophobicContact CB-CB 4.19Å; D56-A58 PolarHBondContact O-N 2.8Å; A58-A61 HydrophobicContact CB-CB 3.87Å; A58-L69 HydrophobicContact CB-CD2 3.46Å; A58-L69 VanDerWaalsContact CB-CD2 3.46Å | ||
| 59 | R | 83 | Confident | 89 | Confident | 179 Ų | 179 | 64 Ų | 64 | 68% | 0.675 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 132.4 | 168.7 | -57 | -177 | -165.1 | 112.7 | 11.8 | 108.2 | D56 T57 A61 C71 | D56-R59 IonicContact OD2-NH2 3.94Å; T57-R59 PolarHBondContact O-N 3.18Å; R59-A61 VanDerWaalsContact C-N 3.35Å; R59-A61 PolarHBondContact O-N 3.05Å; R59-C71 WeakPolarHBondContact O-CA 3.18Å; R59-C71 WeakPolarHBondContact O-CB 3.44Å |
| 60 | D | 86 | Confident | 89.5 | Confident | 122 Ų | 122 | 59.3 Ų | 59.3 | 65% | 0.652 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 58.6 | -172.4 | -56.6 | -41.7 | 0 | 0 | 0 | 111 | V62 W72 | D60-V62 PolarHBondContact O-N 3.24Å; D60-W72 HydrophobicContact CB-CB 4Å; D60-W72 PolarHBondContact O-N 2.98Å |
| 61 | A | 88.4 | Confident | 89.8 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 7% | 0.066 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 124.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | A58 R59 L69 F70 L103 | A58-A61 HydrophobicContact CB-CB 3.87Å; R59-A61 VanDerWaalsContact C-N 3.35Å; R59-A61 PolarHBondContact O-N 3.05Å; A61-L69 HydrophobicContact CB-CD1 4.42Å; A61-L69 HydrophobicContact CB-CD2 4.13Å; A61-L69 HydrophobicContact CB-CG 4.41Å; A61-F70 WeakPolarHBondContact CA-O 3.45Å; A61-L103 HydrophobicContact CB-CB 4.23Å; A61-L103 PolarHBondContact O-N 3.46Å |
| 62 | V | 91.5 | Very high | 89.8 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 4% | 0.036 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138.2 | 174.1 | -67.1 | 0 | 0 | 0 | 0 | 109.5 | D60 L69 F70 W72 L75 | D60-V62 PolarHBondContact O-N 3.24Å; V62-L69 WeakPolarHBondContact O-CA 3.3Å; V62-F70 HydrophobicContact CG2-CB 4.35Å; V62-F70 WeakPolarHBondContact CG2-O 3.25Å; V62-F70 PolarHBondContact N-O 2.99Å; V62-F70 PolarHBondContact O-N 2.8Å; V62-W72 HydrophobicContact CG1-CB 4.08Å; V62-W72 HydrophobicContact CG1-CE3 3.95Å; V62-W72 HydrophobicContact CG2-CE3 4.37Å; V62-L75 HydrophobicContact CG2-CB 4.32Å; V62-L75 HydrophobicContact CG2-CD2 3.79Å |
| 63 | I | 91.8 | Very high | 90 | Very high | 42 Ų | 42 | 58.3 Ų | 58.3 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 130.8 | 172.8 | -72.9 | -173.3 | 0 | 0 | 0 | 109.4 | L69 I101 L103 | I63-L69 HydrophobicContact CD1-CD1 4.33Å; I63-L69 HydrophobicContact CG1-CB 4.27Å; I63-L69 HydrophobicContact CG1-CD1 4.13Å; I63-L69 HydrophobicContact CG1-CG 4.22Å; I63-I101 PolarHBondContact N-O 2.95Å; I63-I101 PolarHBondContact O-N 3.49Å; I63-L103 HydrophobicContact CD1-CD1 3.25Å; I63-L103 HydrophobicContact CD1-CD2 4.14Å; I63-L103 HydrophobicContact CD1-CG 3.83Å; I63-L103 HydrophobicContact CG1-CD1 3.62Å; I63-L103 HydrophobicContact CG1-CG 3.9Å |
| 64 | S | 92 | Very high | 90.1 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.007 | 31% | 0.309 | C | S | . | . | trans | -74.6 | 158.8 | 169.2 | 59 | 0 | 0 | 0 | 0 | 111.7 | C66 G67 H68 | S64-C66 PolarHBondContact O-N 3.26Å; S64-C66 PolarHBondContact OG-SG 3.31Å; S64-G67 PolarHBondContact O-N 3.16Å; S64-H68 PolarHBondContact N-O 3.4Å; S64-H68 PolarHBondContact OG-N 3.34Å; S64-H68 PolarHBondContact OG-O 3.49Å | ||
| 65 | M | 89.8 | Confident | 90.1 | Very high | 110 Ų | 110 | 53.6 Ų | 53.6 | 54% | 0.542 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -20.9 | 176.5 | -63 | -72 | 81.2 | 0 | 0 | 114.4 | G67 K99 I101 | M65-G67 VanDerWaalsContact C-N 3.32Å; M65-K99 HydrophobicContact CG-CB 4.18Å; M65-K99 WeakPolarHBondContact CG-O 3.24Å; M65-K99 HydrophobicContact SD-CB 4.48Å; M65-I101 HydrophobicContact CE-CD1 3.42Å; M65-I101 VanDerWaalsContact CE-CD1 3.42Å; M65-I101 HydrophobicContact CE-CG1 3.66Å |
| 66 | C | 91.6 | Very high | 90.3 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 31% | 0.311 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 5.4 | 174.6 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | S64 H68 C91 A93 | S64-C66 PolarHBondContact O-N 3.26Å; S64-C66 PolarHBondContact OG-SG 3.31Å; C66-H68 PolarHBondContact SG-ND1 3.02Å; C66-C91 VanDerWaalsContact CB-SG 3.59Å; C66-C91 PolarHBondContact SG-SG 3.24Å; C66-A93 HydrophobicContact CB-CB 3.8Å |
| 67 | G | 90.4 | Very high | 90.5 | Very high | 52 Ų | 52 | 51.9 Ų | 51.9 | 54% | 0.536 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 86.5 | 0.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | S64 M65 | S64-G67 PolarHBondContact O-N 3.16Å; M65-G67 VanDerWaalsContact C-N 3.32Å |
| 68 | H | 92.6 | Very high | 90.7 | Very high | 44 Ų | 44 | 51 Ų | 51 | 20% | 0.204 | 26% | 0.264 | C | S | . | . | trans | -82.1 | 138.1 | 178.3 | -62.5 | 87.8 | 0 | 0 | 0 | 111.5 | S64 C66 F70 V90 C91 | S64-H68 PolarHBondContact N-O 3.4Å; S64-H68 PolarHBondContact OG-N 3.34Å; S64-H68 PolarHBondContact OG-O 3.49Å; C66-H68 PolarHBondContact SG-ND1 3.02Å; H68-F70 HydrophobicContact CB-CE2 3.53Å; H68-F70 HydrophobicContact CB-CZ 3.49Å; H68-F70 VanDerWaalsContact CB-CZ 3.49Å; H68-F70 WeakPolarHBondContact O-CE2 3.46Å; H68-V90 HydrophobicContact CB-CG2 4.44Å; H68-V90 WeakPolarHBondContact CD2-CB 3.42Å; H68-V90 VanDerWaalsContact CD2-CG1 3.4Å; H68-V90 WeakPolarHBondContact CD2-CG1 3.37Å; H68-V90 WeakPolarHBondContact NE2-CG1 3.36Å; H68-C91 PolarHBondContact CE1-SG 3.31Å; H68-C91 PolarHBondContact ND1-SG 3.38Å | ||
| 69 | L | 91.9 | Very high | 91 | Very high | 18 Ų | 18 | 50.7 Ų | 50.7 | 9% | 0.094 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 134.4 | -175.3 | -166.9 | 149.9 | 0 | 0 | 0 | 111.6 | F49 E50 N52 A58 A61 V62 I63 L103 | F49-L69 HydrophobicContact CB-CD1 3.74Å; F49-L69 HydrophobicContact CB-CD2 4.02Å; F49-L69 HydrophobicContact CD1-CD1 3.49Å; F49-L69 VanDerWaalsContact CD1-CD1 3.49Å; F49-L69 HydrophobicContact CE1-CD1 4.41Å; F49-L69 HydrophobicContact CG-CD1 3.91Å; E50-L69 WeakPolarHBondContact O-CD2 3.48Å; N52-L69 PolarHBondContact N-O 3.44Å; N52-L69 PolarHBondContact ND2-O 3.47Å; A58-L69 HydrophobicContact CB-CD2 3.46Å; A58-L69 VanDerWaalsContact CB-CD2 3.46Å; A61-L69 HydrophobicContact CB-CD1 4.42Å; A61-L69 HydrophobicContact CB-CD2 4.13Å; A61-L69 HydrophobicContact CB-CG 4.41Å; V62-L69 WeakPolarHBondContact O-CA 3.3Å; I63-L69 HydrophobicContact CD1-CD1 4.33Å; I63-L69 HydrophobicContact CG1-CB 4.27Å; I63-L69 HydrophobicContact CG1-CD1 4.13Å; I63-L69 HydrophobicContact CG1-CG 4.22Å; L69-L103 HydrophobicContact CD1-CD1 3.9Å |
| 70 | F | 92.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 161.1 | 179.8 | -50.2 | -77.6 | 0 | 0 | 0 | 111.2 | N52 I53 A61 V62 H68 L75 P89 V90 | N52-F70 HydrophobicContact CB-CD1 4.01Å; N52-F70 HydrophobicContact CB-CE1 3.64Å; I53-F70 HydrophobicContact CD1-CB 4.34Å; I53-F70 HydrophobicContact CD1-CD1 3.54Å; I53-F70 HydrophobicContact CD1-CE1 4.13Å; I53-F70 HydrophobicContact CD1-CG 4.14Å; I53-F70 HydrophobicContact CG1-CD1 3.65Å; I53-F70 HydrophobicContact CG1-CE1 4.01Å; A61-F70 WeakPolarHBondContact CA-O 3.45Å; V62-F70 HydrophobicContact CG2-CB 4.35Å; V62-F70 WeakPolarHBondContact CG2-O 3.25Å; V62-F70 PolarHBondContact N-O 2.99Å; V62-F70 PolarHBondContact O-N 2.8Å; H68-F70 HydrophobicContact CB-CE2 3.53Å; H68-F70 HydrophobicContact CB-CZ 3.49Å; H68-F70 VanDerWaalsContact CB-CZ 3.49Å; H68-F70 WeakPolarHBondContact O-CE2 3.46Å; F70-L75 HydrophobicContact CB-CB 4.06Å; F70-L75 HydrophobicContact CD2-CD1 4.14Å; F70-L75 HydrophobicContact CD2-CD2 4.33Å; F70-P89 HydrophobicContact CE1-CB 4.37Å; F70-P89 HydrophobicContact CE1-CG 3.93Å; F70-P89 HydrophobicContact CZ-CG 4.08Å; F70-V90 HydrophobicContact CE1-CG2 4.08Å; F70-V90 HydrophobicContact CZ-CG2 4.02Å |
| 71 | C | 92.4 | Very high | 91.4 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 140.1 | 160 | -56.8 | 0 | 0 | 0 | 0 | 108.9 | C51 R59 P73 C74 L75 | C51-C71 WeakPolarHBondContact CB-SG 3.43Å; C51-C71 PolarHBondContact SG-N 3.02Å; R59-C71 WeakPolarHBondContact O-CA 3.18Å; R59-C71 WeakPolarHBondContact O-CB 3.44Å; C71-P73 HydrophobicContact CB-CG 4.07Å; C71-C74 HydrophobicContact CB-CB 4.04Å; C71-C74 PolarHBondContact O-N 3.23Å; C71-C74 VanDerWaalsContact O-N 3.17Å; C71-L75 PolarHBondContact O-N 2.99Å |
| 72 | W | 92.2 | Very high | 91.3 | Very high | 88 Ų | 88 | 51.7 Ų | 51.7 | 33% | 0.333 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -48.7 | -50.4 | 171.5 | 177.2 | -118.5 | 0 | 0 | 0 | 114.1 | D60 V62 C74 L75 H76 R97 V100 | D60-W72 HydrophobicContact CB-CB 4Å; D60-W72 PolarHBondContact O-N 2.98Å; V62-W72 HydrophobicContact CG1-CB 4.08Å; V62-W72 HydrophobicContact CG1-CE3 3.95Å; V62-W72 HydrophobicContact CG2-CE3 4.37Å; W72-C74 VanDerWaalsContact C-N 3.34Å; W72-C74 PolarHBondContact O-N 3.35Å; W72-L75 PolarHBondContact O-N 3.39Å; W72-H76 VanDerWaalsContact O-CB 3.3Å; W72-H76 WeakPolarHBondContact O-CB 3.5Å; W72-H76 PolarHBondContact O-N 3.17Å; W72-R97 HydrophobicContact CH2-CG 4Å; W72-V100 HydrophobicContact CE3-CG2 4.36Å; W72-V100 HydrophobicContact CZ3-CG2 3.7Å |
| 73 | P | 92.8 | Very high | 90.8 | Very high | 74 Ų | 74 | 56.1 Ų | 56.1 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.9 | -37.8 | 179.1 | 23.4 | -35.1 | 0 | 0 | 0 | 113.2 | C71 H76 Q77 | C71-P73 HydrophobicContact CB-CG 4.07Å; P73-H76 PolarHBondContact O-N 2.83Å; P73-Q77 WeakPolarHBondContact O-CB 3.3Å; P73-Q77 PolarHBondContact O-N 3.36Å |
| 74 | C | 93.2 | Very high | 90.3 | Very high | 26 Ų | 26 | 59.5 Ų | 59.5 | 18% | 0.176 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.8 | -44.3 | 179 | -64.3 | 0 | 0 | 0 | 0 | 111.4 | I53 C71 W72 W78 | I53-C74 HydrophobicContact CB-CB 3.92Å; I53-C74 HydrophobicContact CD1-CB 3.71Å; I53-C74 HydrophobicContact CG1-CB 4.43Å; I53-C74 HydrophobicContact CG2-CB 3.92Å; C71-C74 HydrophobicContact CB-CB 4.04Å; C71-C74 PolarHBondContact O-N 3.23Å; C71-C74 VanDerWaalsContact O-N 3.17Å; W72-C74 VanDerWaalsContact C-N 3.34Å; W72-C74 PolarHBondContact O-N 3.35Å; C74-W78 WeakPolarHBondContact O-CB 3.36Å; C74-W78 PolarHBondContact O-N 2.62Å; C74-W78 VanDerWaalsContact O-N 3.16Å |
| 75 | L | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.9 | -41.2 | 177.6 | -177 | 61.1 | 0 | 0 | 0 | 111.3 | V62 F70 C71 W72 W78 L79 I95 V100 | V62-L75 HydrophobicContact CG2-CB 4.32Å; V62-L75 HydrophobicContact CG2-CD2 3.79Å; F70-L75 HydrophobicContact CB-CB 4.06Å; F70-L75 HydrophobicContact CD2-CD1 4.14Å; F70-L75 HydrophobicContact CD2-CD2 4.33Å; C71-L75 PolarHBondContact O-N 2.99Å; W72-L75 PolarHBondContact O-N 3.39Å; L75-W78 WeakPolarHBondContact O-CB 3.35Å; L75-W78 PolarHBondContact O-N 2.68Å; L75-L79 HydrophobicContact CD1-CG 4.41Å; L75-L79 HydrophobicContact CG-CD1 4.31Å; L75-L79 WeakPolarHBondContact O-CG 3.26Å; L75-L79 PolarHBondContact O-N 3.17Å; L75-I95 HydrophobicContact CD1-CD1 4.04Å; L75-I95 HydrophobicContact CD2-CD1 3.94Å; L75-V100 HydrophobicContact CD2-CG1 3.74Å |
| 76 | H | 92 | Very high | 89.7 | Confident | 38 Ų | 38 | 65.2 Ų | 65.2 | 18% | 0.176 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.2 | -50.7 | 178.5 | -173.6 | -93.4 | 0 | 0 | 0 | 111.9 | W72 P73 W78 L79 E80 R97 | W72-H76 VanDerWaalsContact O-CB 3.3Å; W72-H76 WeakPolarHBondContact O-CB 3.5Å; W72-H76 PolarHBondContact O-N 3.17Å; P73-H76 PolarHBondContact O-N 2.83Å; H76-W78 VanDerWaalsContact C-N 3.26Å; H76-W78 PolarHBondContact O-N 3.24Å; H76-L79 PolarHBondContact O-N 2.9Å; H76-L79 VanDerWaalsContact O-N 3.12Å; H76-E80 IonicContact CE1-OE1 2.86Å; H76-E80 PolarHBondContact CE1-OE1 3.44Å; H76-E80 IonicContact CE1-OE2 3.46Å; H76-E80 PolarHBondContact CE1-OE2 3.04Å; H76-E80 VanDerWaalsContact ND1-CD 3.31Å; H76-E80 IonicContact ND1-OE1 3.47Å; H76-E80 PolarHBondContact ND1-OE1 2.83Å; H76-E80 IonicContact ND1-OE2 3.19Å; H76-E80 PolarHBondContact ND1-OE2 3.4Å; H76-E80 IonicContact NE2-OE1 3.72Å; H76-E80 WeakPolarHBondContact O-CG 3.39Å; H76-E80 PolarHBondContact O-N 3.46Å; H76-R97 PolarHBondContact NE2-NH1 3.42Å; H76-R97 PolarHBondContact NE2-NH2 3.12Å |
| 77 | Q | 92.7 | Very high | 89.7 | Confident | 129 Ų | 129 | 66.6 Ų | 66.6 | 60% | 0.603 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -58.8 | -39.8 | 177.1 | -175 | 176.3 | -0.6 | 0 | 0 | 111.6 | P73 L79 E80 T81 | P73-Q77 WeakPolarHBondContact O-CB 3.3Å; P73-Q77 PolarHBondContact O-N 3.36Å; Q77-L79 PolarHBondContact O-N 3.02Å; Q77-E80 PolarHBondContact O-N 3.11Å; Q77-T81 VanDerWaalsContact O-CG2 3.25Å; Q77-T81 WeakPolarHBondContact O-CG2 3.37Å; Q77-T81 PolarHBondContact O-N 2.84Å; Q77-T81 PolarHBondContact O-OG1 2.97Å |
| 78 | W | 91.3 | Very high | 89.8 | Confident | 64 Ų | 64 | 64.2 Ų | 64.2 | 24% | 0.242 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60 | -46.6 | 175.6 | 179.3 | -98.2 | 0 | 0 | 0 | 112.4 | C74 L75 H76 E80 T81 R82 Q87 P89 | C74-W78 WeakPolarHBondContact O-CB 3.36Å; C74-W78 PolarHBondContact O-N 2.62Å; C74-W78 VanDerWaalsContact O-N 3.16Å; L75-W78 WeakPolarHBondContact O-CB 3.35Å; L75-W78 PolarHBondContact O-N 2.68Å; H76-W78 VanDerWaalsContact C-N 3.26Å; H76-W78 PolarHBondContact O-N 3.24Å; W78-E80 VanDerWaalsContact C-N 3.34Å; W78-E80 PolarHBondContact O-N 3.45Å; W78-T81 PolarHBondContact O-N 3.03Å; W78-T81 PolarHBondContact O-OG1 3.22Å; W78-R82 VanDerWaalsContact CH2-CZ 3.44Å; W78-R82 PolarHBondContact O-N 2.8Å; W78-Q87 PolarHBondContact NE1-O 2.87Å; W78-P89 HydrophobicContact CD2-CG 3.92Å; W78-P89 HydrophobicContact CG-CG 4.02Å; W78-P89 HydrophobicContact CH2-CB 4.43Å; W78-P89 HydrophobicContact CZ2-CB 4.1Å; W78-P89 HydrophobicContact CZ2-CG 4.2Å |
| 79 | L | 89.5 | Confident | 89.7 | Confident | 11 Ų | 11 | 64.1 Ų | 64.1 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.5 | -33.5 | 179.7 | -63.2 | 179.7 | 0 | 0 | 0 | 112.8 | L75 H76 Q77 R82 Q86 I95 R97 | L75-L79 HydrophobicContact CD1-CG 4.41Å; L75-L79 HydrophobicContact CG-CD1 4.31Å; L75-L79 WeakPolarHBondContact O-CG 3.26Å; L75-L79 PolarHBondContact O-N 3.17Å; H76-L79 PolarHBondContact O-N 2.9Å; H76-L79 VanDerWaalsContact O-N 3.12Å; Q77-L79 PolarHBondContact O-N 3.02Å; L79-R82 CarbonylContact O-C 3.47Å; L79-Q86 HydrophobicContact CD2-CB 4.43Å; L79-Q86 PolarHBondContact O-NE2 2.94Å; L79-I95 HydrophobicContact CD2-CG2 3.45Å; L79-I95 VanDerWaalsContact CD2-CG2 3.45Å; L79-R97 HydrophobicContact CD1-CB 4.2Å |
| 80 | E | 89.9 | Confident | 89.6 | Confident | 117 Ų | 117 | 66.6 Ų | 66.6 | 55% | 0.547 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.6 | -37.9 | 176.2 | -72.3 | -178.1 | 142.7 | 0 | 0 | 112.8 | H76 Q77 W78 R82 P83 | H76-E80 IonicContact CE1-OE1 2.86Å; H76-E80 PolarHBondContact CE1-OE1 3.44Å; H76-E80 IonicContact CE1-OE2 3.46Å; H76-E80 PolarHBondContact CE1-OE2 3.04Å; H76-E80 VanDerWaalsContact ND1-CD 3.31Å; H76-E80 IonicContact ND1-OE1 3.47Å; H76-E80 PolarHBondContact ND1-OE1 2.83Å; H76-E80 IonicContact ND1-OE2 3.19Å; H76-E80 PolarHBondContact ND1-OE2 3.4Å; H76-E80 IonicContact NE2-OE1 3.72Å; H76-E80 WeakPolarHBondContact O-CG 3.39Å; H76-E80 PolarHBondContact O-N 3.46Å; Q77-E80 PolarHBondContact O-N 3.11Å; W78-E80 VanDerWaalsContact C-N 3.34Å; W78-E80 PolarHBondContact O-N 3.45Å; E80-R82 PolarHBondContact O-N 3.12Å; E80-P83 WeakPolarHBondContact O-CD 3.49Å |
| 81 | T | 89 | Confident | 89.5 | Confident | 88 Ų | 88 | 69.4 Ų | 69.4 | 54% | 0.54 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.6 | -23.1 | 178.1 | 60.2 | 0 | 0 | 0 | 0 | 113 | Q77 W78 | Q77-T81 VanDerWaalsContact O-CG2 3.25Å; Q77-T81 WeakPolarHBondContact O-CG2 3.37Å; Q77-T81 PolarHBondContact O-N 2.84Å; Q77-T81 PolarHBondContact O-OG1 2.97Å; W78-T81 PolarHBondContact O-N 3.03Å; W78-T81 PolarHBondContact O-OG1 3.22Å |
| 82 | R | 84.9 | Confident | 89.5 | Confident | 125 Ų | 125 | 76.5 Ų | 76.5 | 47% | 0.472 | 39% | 0.386 | S | S | . | . | trans | -133.5 | 64.9 | -173.6 | -63.1 | 177.1 | -173.6 | -166.6 | 1.5 | 111.7 | W78 L79 E80 S84 R85 Q86 | W78-R82 VanDerWaalsContact CH2-CZ 3.44Å; W78-R82 PolarHBondContact O-N 2.8Å; L79-R82 CarbonylContact O-C 3.47Å; E80-R82 PolarHBondContact O-N 3.12Å; R82-S84 PolarHBondContact O-N 2.97Å; R82-R85 CarbonylContact O-C 3.31Å; R82-R85 VanDerWaalsContact O-C 3.31Å; R82-R85 PolarHBondContact O-N 2.95Å; R82-Q86 PolarHBondContact O-NE2 3.01Å | ||
| 83 | P | 81.2 | Confident | 89.3 | Confident | 98 Ų | 98 | 74 Ų | 74 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -33.6 | -176.9 | 24.9 | -33.4 | 0 | 0 | 0 | 112.4 | E80 R85 Q86 | E80-P83 WeakPolarHBondContact O-CD 3.49Å; P83-R85 VanDerWaalsContact C-N 3.31Å; P83-R85 PolarHBondContact O-N 3.23Å; P83-Q86 PolarHBondContact O-NE2 3.48Å |
| 84 | S | 81.6 | Confident | 89.1 | Confident | 113 Ų | 113 | 73.7 Ų | 73.7 | 79% | 0.79 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -15.7 | 178.7 | 60.3 | 0 | 0 | 0 | 0 | 114.4 | R82 | R82-S84 PolarHBondContact O-N 2.97Š|
| 85 | R | 81.1 | Confident | 88.8 | Confident | 170 Ų | 170 | 72.9 Ų | 72.9 | 64% | 0.642 | 39% | 0.388 | S | S | * | . | trans | -138.8 | 77.7 | -176.2 | -66.5 | -172.7 | -176.6 | 171.6 | 2.1 | 110.5 | R82 P83 Q87 | R82-R85 CarbonylContact O-C 3.31Å; R82-R85 VanDerWaalsContact O-C 3.31Å; R82-R85 PolarHBondContact O-N 2.95Å; P83-R85 VanDerWaalsContact C-N 3.31Å; P83-R85 PolarHBondContact O-N 3.23Å; R85-Q87 PolarHBondContact O-N 2.93Å | ||
| 86 | Q | 87.8 | Confident | 88.5 | Confident | 61 Ų | 61 | 74.2 Ų | 74.2 | 29% | 0.285 | 40% | 0.398 | S | S | . | . | trans | -73.6 | 80.8 | 173.5 | -55.7 | -69.2 | -66.4 | 0 | 0 | 109.6 | L79 R82 P83 G94 I95 | L79-Q86 HydrophobicContact CD2-CB 4.43Å; L79-Q86 PolarHBondContact O-NE2 2.94Å; R82-Q86 PolarHBondContact O-NE2 3.01Å; P83-Q86 PolarHBondContact O-NE2 3.48Å; Q86-G94 WeakPolarHBondContact O-CA 3.39Å; Q86-I95 WeakPolarHBondContact CB-O 3.47Å; Q86-I95 PolarHBondContact O-N 2.87Å | ||
| 87 | Q | 92 | Very high | 88 | Confident | 76 Ų | 76 | 78 Ų | 78 | 36% | 0.355 | 41% | 0.411 | S | S | . | . | B | Isolated β-bridge | trans | -127.1 | 146 | -174.7 | -66.7 | 175.3 | 28.4 | 0 | 0 | 111.1 | W78 R85 A93 | W78-Q87 PolarHBondContact NE1-O 2.87Å; R85-Q87 PolarHBondContact O-N 2.93Å; Q87-A93 CarbonylContact C-O 3.51Å; Q87-A93 VanDerWaalsContact CA-O 3.32Å; Q87-A93 WeakPolarHBondContact CA-O 3.49Å |
| 88 | C | 91.9 | Very high | 87.5 | Confident | 2 Ų | 2 | 79.2 Ų | 79.2 | 1% | 0.014 | 42% | 0.416 | C | S | . | . | trans | -61 | 131.4 | 174.4 | 178.8 | 0 | 0 | 0 | 0 | 111 | V90 C91 K92 A93 | C88-V90 PolarHBondContact O-N 3.07Å; C88-V90 PolarHBondContact SG-N 3.18Å; C88-C91 VanDerWaalsContact SG-SG 3.63Å; C88-K92 WeakPolarHBondContact O-CA 3.46Å; C88-K92 PolarHBondContact O-N 2.98Å; C88-A93 HydrophobicContact CB-CB 4.5Å; C88-A93 PolarHBondContact N-O 2.9Å | ||
| 89 | P | 90.2 | Very high | 87.2 | Confident | 42 Ų | 42 | 82.7 Ų | 82.7 | 27% | 0.273 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -29.2 | 176.9 | -22 | 28.2 | 0 | 0 | 0 | 114.3 | I53 F70 W78 | I53-P89 HydrophobicContact CD1-CG 4.13Å; I53-P89 HydrophobicContact CG1-CG 4.26Å; F70-P89 HydrophobicContact CE1-CB 4.37Å; F70-P89 HydrophobicContact CE1-CG 3.93Å; F70-P89 HydrophobicContact CZ-CG 4.08Å; W78-P89 HydrophobicContact CD2-CG 3.92Å; W78-P89 HydrophobicContact CG-CG 4.02Å; W78-P89 HydrophobicContact CH2-CB 4.43Å; W78-P89 HydrophobicContact CZ2-CB 4.1Å; W78-P89 HydrophobicContact CZ2-CG 4.2Å |
| 90 | V | 91.3 | Very high | 87.1 | Confident | 70 Ų | 70 | 83.3 Ų | 83.3 | 42% | 0.424 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -58.2 | -173.2 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | N52 H68 F70 C88 | N52-V90 HydrophobicContact CB-CG2 3.82Å; H68-V90 HydrophobicContact CB-CG2 4.44Å; H68-V90 WeakPolarHBondContact CD2-CB 3.42Å; H68-V90 VanDerWaalsContact CD2-CG1 3.4Å; H68-V90 WeakPolarHBondContact CD2-CG1 3.37Å; H68-V90 WeakPolarHBondContact NE2-CG1 3.36Å; F70-V90 HydrophobicContact CE1-CG2 4.08Å; F70-V90 HydrophobicContact CZ-CG2 4.02Å; C88-V90 PolarHBondContact O-N 3.07Å; C88-V90 PolarHBondContact SG-N 3.18Å |
| 91 | C | 90.4 | Very high | 87 | Confident | 58 Ų | 58 | 82 Ų | 82 | 39% | 0.392 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -0.2 | -172.9 | 64.7 | 0 | 0 | 0 | 0 | 114.7 | C66 H68 C88 A93 | C66-C91 VanDerWaalsContact CB-SG 3.59Å; C66-C91 PolarHBondContact SG-SG 3.24Å; H68-C91 PolarHBondContact CE1-SG 3.31Å; H68-C91 PolarHBondContact ND1-SG 3.38Å; C88-C91 VanDerWaalsContact SG-SG 3.63Å; C91-A93 PolarHBondContact O-N 3.3Å; C91-A93 VanDerWaalsContact SG-CB 3.59Å |
| 92 | K | 91.4 | Very high | 87 | Confident | 156 Ų | 156 | 80.7 Ų | 80.7 | 68% | 0.678 | 43% | 0.426 | S | S | * | . | trans | 62.2 | 9.2 | -178.6 | -51.6 | 172.1 | -176.6 | 175 | 0 | 115.4 | C88 | C88-K92 WeakPolarHBondContact O-CA 3.46Å; C88-K92 PolarHBondContact O-N 2.98Å | ||
| 93 | A | 88.4 | Confident | 87 | Confident | 37 Ų | 37 | 77.3 Ų | 77.3 | 31% | 0.306 | 42% | 0.417 | S | S | . | . | trans | -60.3 | 145.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | C66 Q87 C88 C91 I95 | C66-A93 HydrophobicContact CB-CB 3.8Å; Q87-A93 CarbonylContact C-O 3.51Å; Q87-A93 VanDerWaalsContact CA-O 3.32Å; Q87-A93 WeakPolarHBondContact CA-O 3.49Å; C88-A93 HydrophobicContact CB-CB 4.5Å; C88-A93 PolarHBondContact N-O 2.9Å; C91-A93 PolarHBondContact O-N 3.3Å; C91-A93 VanDerWaalsContact SG-CB 3.59Å; A93-I95 PolarHBondContact O-N 3.07Å | ||
| 94 | G | 88.6 | Confident | 86.8 | Confident | 66 Ų | 66 | 82.3 Ų | 82.3 | 68% | 0.68 | 43% | 0.425 | S | S | * | . | B | Isolated β-bridge | trans | -60.1 | 127.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | Q86 | Q86-G94 WeakPolarHBondContact O-CA 3.39Å |
| 95 | I | 88.4 | Confident | 86 | Confident | 9 Ų | 9 | 79 Ų | 79 | 5% | 0.046 | 41% | 0.409 | C | S | . | . | trans | -123.2 | 147.8 | 176.9 | -160.9 | 173.8 | 0 | 0 | 0 | 108.3 | L75 L79 Q86 A93 V100 | L75-I95 HydrophobicContact CD1-CD1 4.04Å; L75-I95 HydrophobicContact CD2-CD1 3.94Å; L79-I95 HydrophobicContact CD2-CG2 3.45Å; L79-I95 VanDerWaalsContact CD2-CG2 3.45Å; Q86-I95 WeakPolarHBondContact CB-O 3.47Å; Q86-I95 PolarHBondContact O-N 2.87Å; A93-I95 PolarHBondContact O-N 3.07Å; I95-V100 HydrophobicContact CD1-CG1 4.13Å; I95-V100 HydrophobicContact CG1-CG1 4.35Å | ||
| 96 | S | 84.8 | Confident | 85 | Confident | 29 Ų | 29 | 81.1 Ų | 81.1 | 20% | 0.203 | 42% | 0.417 | C | S | . | . | trans | -127.8 | 149.4 | 169.8 | 77.2 | 0 | 0 | 0 | 0 | 109.4 | E98 K99 | S96-E98 WeakPolarHBondContact CB-OE2 3.18Å; S96-E98 PolarHBondContact O-N 3.27Å; S96-E98 PolarHBondContact OG-OE2 3.19Å; S96-K99 PolarHBondContact O-N 3.28Å; S96-K99 VanDerWaalsContact O-N 3.07Å; S96-K99 WeakPolarHBondContact OG-CB 3.33Å; S96-K99 WeakPolarHBondContact OG-CD 3.38Å; S96-K99 WeakPolarHBondContact OG-CG 3.4Å | ||
| 97 | R | 82.8 | Confident | 83.6 | Confident | 118 Ų | 118 | 81.5 Ų | 81.5 | 45% | 0.445 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -28.2 | -175.1 | 179 | -179.2 | 174.1 | 157.9 | 4.8 | 112.5 | W72 H76 L79 | W72-R97 HydrophobicContact CH2-CG 4Å; H76-R97 PolarHBondContact NE2-NH1 3.42Å; H76-R97 PolarHBondContact NE2-NH2 3.12Å; L79-R97 HydrophobicContact CD1-CB 4.2Å |
| 98 | E | 81.8 | Confident | 81.9 | Confident | 153 Ų | 153 | 83.4 Ų | 83.4 | 72% | 0.715 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -16.2 | -177.8 | -48 | 70.9 | -151.1 | 0 | 0 | 112.3 | S96 | S96-E98 WeakPolarHBondContact CB-OE2 3.18Å; S96-E98 PolarHBondContact O-N 3.27Å; S96-E98 PolarHBondContact OG-OE2 3.19Å |
| 99 | K | 84.2 | Confident | 80.4 | Confident | 137 Ų | 137 | 88.5 Ų | 88.5 | 60% | 0.596 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -107.1 | 38.4 | -177 | -64.4 | 179.4 | -173.9 | 178.2 | 0 | 111.9 | M65 S96 | M65-K99 HydrophobicContact CG-CB 4.18Å; M65-K99 WeakPolarHBondContact CG-O 3.24Å; M65-K99 HydrophobicContact SD-CB 4.48Å; S96-K99 PolarHBondContact O-N 3.28Å; S96-K99 VanDerWaalsContact O-N 3.07Å; S96-K99 WeakPolarHBondContact OG-CB 3.33Å; S96-K99 WeakPolarHBondContact OG-CD 3.38Å; S96-K99 WeakPolarHBondContact OG-CG 3.4Å |
| 100 | V | 87.9 | Confident | 78.7 | Confident | 24 Ų | 24 | 92.8 Ų | 92.8 | 15% | 0.145 | 53% | 0.525 | C | S | . | . | trans | -106.2 | 141.7 | 170 | -62.6 | 0 | 0 | 0 | 0 | 109.6 | W72 L75 I95 | W72-V100 HydrophobicContact CE3-CG2 4.36Å; W72-V100 HydrophobicContact CZ3-CG2 3.7Å; L75-V100 HydrophobicContact CD2-CG1 3.74Å; I95-V100 HydrophobicContact CD1-CG1 4.13Å; I95-V100 HydrophobicContact CG1-CG1 4.35Å | ||
| 101 | I | 88.3 | Confident | 76.9 | Confident | 91 Ų | 91 | 97.6 Ų | 97.6 | 47% | 0.467 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 113.6 | 178.5 | -61.5 | 170.4 | 0 | 0 | 0 | 107.3 | I63 M65 | I63-I101 PolarHBondContact N-O 2.95Å; I63-I101 PolarHBondContact O-N 3.49Å; M65-I101 HydrophobicContact CE-CD1 3.42Å; M65-I101 VanDerWaalsContact CE-CD1 3.42Å; M65-I101 HydrophobicContact CE-CG1 3.66Å |
| 102 | P | 88.2 | Confident | 75.3 | Confident | 59 Ų | 59 | 103.2 Ų | 103.2 | 38% | 0.383 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.5 | 136.2 | 172.7 | 28.9 | -32.8 | 0 | 0 | 0 | 110.3 | Y104 | P102-Y104 HydrophobicContact CB-CE2 3.93Å; P102-Y104 HydrophobicContact CG-CE2 3.84Å |
| 103 | L | 84.8 | Confident | 73.7 | Confident | 55 Ų | 55 | 100.1 Ų | 100.1 | 29% | 0.288 | 55% | 0.554 | S | S | . | * | trans | -101.7 | 112.3 | 174.2 | -71.9 | -169.5 | 0 | 0 | 0 | 110.7 | F49 A61 I63 L69 G105 | F49-L103 HydrophobicContact CE1-CD1 4.31Å; A61-L103 HydrophobicContact CB-CB 4.23Å; A61-L103 PolarHBondContact O-N 3.46Å; I63-L103 HydrophobicContact CD1-CD1 3.25Å; I63-L103 HydrophobicContact CD1-CD2 4.14Å; I63-L103 HydrophobicContact CD1-CG 3.83Å; I63-L103 HydrophobicContact CG1-CD1 3.62Å; I63-L103 HydrophobicContact CG1-CG 3.9Å; L69-L103 HydrophobicContact CD1-CD1 3.9Å; L103-G105 PolarHBondContact O-N 2.79Å | ||
| 104 | Y | 77.6 | Confident | 72.4 | Confident | 202 Ų | 202 | 101.6 Ų | 101.6 | 79% | 0.792 | 56% | 0.561 | S | S | * | * | trans | -97.2 | 81.6 | 169.4 | -52.8 | -72.8 | 0 | 0 | 0 | 109 | P102 | P102-Y104 HydrophobicContact CB-CE2 3.93Å; P102-Y104 HydrophobicContact CG-CE2 3.84Å | ||
| 105 | G | 65.2 | Low | 71 | Confident | 45 Ų | 45 | 108.3 Ų | 108.3 | 46% | 0.464 | 57% | 0.566 | S | S | . | * | trans | -74 | 130.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L103 G107 | L103-G105 PolarHBondContact O-N 2.79Å; G105-G107 PolarHBondContact O-N 2.88Å | ||
| 106 | R | 60 | Low | 69.6 | Low | 214 Ų | 214 | 115.4 Ų | 115.4 | 81% | 0.808 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 55.8 | 170.8 | -68.8 | 175.5 | 75.5 | 104.8 | -0.9 | 111.7 | ||
| 107 | G | 57.1 | Low | 68.3 | Low | 68 Ų | 68 | 123 Ų | 123 | 70% | 0.701 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.4 | -0.1 | -164 | 0 | 0 | 0 | 0 | 0 | 117.3 | G105 | G105-G107 PolarHBondContact O-N 2.88Š|
| 108 | S | 57.6 | Low | 67.3 | Low | 117 Ų | 117 | 122.9 Ų | 122.9 | 82% | 0.818 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -88.6 | -25.6 | -175.1 | 49.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 109 | S | 58.6 | Low | 66.7 | Low | 109 Ų | 109 | 120.4 Ų | 120.4 | 76% | 0.762 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 179.7 | 140.5 | 169.8 | 48.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 110 | S | 55.1 | Low | 65.7 | Low | 131 Ų | 131 | 119.7 Ų | 119.7 | 92% | 0.916 | 65% | 0.651 | S | S | * | * | trans | 69.4 | 93.6 | -178.2 | -90.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 111 | Q | 54.3 | Low | 64.3 | Low | 171 Ų | 171 | 129.5 Ų | 129.5 | 80% | 0.799 | 69% | 0.686 | S | S | * | * | trans | -85.6 | 105 | 168.2 | 177.6 | -176.3 | 46.6 | 0 | 0 | 108.4 | ||||
| 112 | E | 56.7 | Low | 63.2 | Low | 176 Ų | 176 | 130.7 Ų | 130.7 | 82% | 0.822 | 70% | 0.699 | S | S | * | * | trans | -116.9 | 123.2 | 154.8 | -124.8 | 164 | -173.2 | 0 | 0 | 107.4 | P114 | E112-P114 VanDerWaalsContact O-CD 3.23Å; E112-P114 WeakPolarHBondContact O-CD 3.22Å | ||
| 113 | D | 56.8 | Low | 61.9 | Low | 91 Ų | 91 | 137 Ų | 137 | 49% | 0.487 | 72% | 0.723 | S | S | . | * | trans | -73.6 | 111.8 | -166 | -171.7 | -7.6 | 0 | 0 | 0 | 111.3 | R115 | D113-R115 PolarHBondContact O-N 2.9Å; D113-R115 VanDerWaalsContact O-N 3.16Å; D113-R115 WeakPolarHBondContact OD1-CB 3.32Å; D113-R115 WeakPolarHBondContact OD1-CG 3.43Å; D113-R115 PolarHBondContact OD1-N 3.37Å | ||
| 114 | P | 61.8 | Low | 60.9 | Low | 68 Ų | 68 | 138 Ų | 138 | 44% | 0.442 | 75% | 0.748 | S | S | . | * | G | 310 helix | trans | -73.8 | 3.2 | 177.7 | 33.9 | -37.4 | 0 | 0 | 0 | 113.4 | E112 L116 K117 | E112-P114 VanDerWaalsContact O-CD 3.23Å; E112-P114 WeakPolarHBondContact O-CD 3.22Å; P114-L116 PolarHBondContact O-N 3.46Å; P114-K117 PolarHBondContact O-N 3.25Å |
| 115 | R | 58.4 | Low | 59.8 | Low | 208 Ų | 208 | 137.3 Ų | 137.3 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -72.9 | -8.9 | 174.3 | -65.1 | 176.2 | 68.8 | 95.4 | 3 | 113.8 | D113 K117 | D113-R115 PolarHBondContact O-N 2.9Å; D113-R115 VanDerWaalsContact O-N 3.16Å; D113-R115 WeakPolarHBondContact OD1-CB 3.32Å; D113-R115 WeakPolarHBondContact OD1-CG 3.43Å; D113-R115 PolarHBondContact OD1-N 3.37Å; R115-K117 VanDerWaalsContact C-N 3.34Å |
| 116 | L | 59 | Low | 59.6 | Low | 157 Ų | 157 | 146.1 Ų | 146.1 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -84.6 | -0.2 | 174.6 | -74.8 | 168.5 | 0 | 0 | 0 | 114.4 | P114 | P114-L116 PolarHBondContact O-N 3.46Š|
| 117 | K | 59.1 | Low | 60 | Low | 190 Ų | 190 | 141.8 Ų | 141.8 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -124.6 | 1.4 | -176.9 | -117.7 | 83.7 | 176.4 | -168.5 | 0 | 116.1 | P114 R115 P119 | P114-K117 PolarHBondContact O-N 3.25Å; R115-K117 VanDerWaalsContact C-N 3.34Å; K117-P119 VanDerWaalsContact O-CD 3.3Å; K117-P119 WeakPolarHBondContact O-CD 3.06Å |
| 118 | T | 60.9 | Low | 60.7 | Low | 114 Ų | 114 | 146.7 Ų | 146.7 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | -94.1 | 110.6 | -179.7 | -33.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 119 | P | 68.2 | Low | 60.7 | Low | 101 Ų | 101 | 146.2 Ų | 146.2 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 153 | 173.9 | 26.4 | -33.4 | 0 | 0 | 0 | 110 | K117 R121 | K117-P119 VanDerWaalsContact O-CD 3.3Å; K117-P119 WeakPolarHBondContact O-CD 3.06Å; P119-R121 PolarHBondContact O-N 3.06Å |
| 120 | P | 63.6 | Low | 60.9 | Low | 122 Ų | 122 | 148.8 Ų | 148.8 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 134.6 | -179.2 | 22.2 | -33 | 0 | 0 | 0 | 110.5 | ||
| 121 | R | 59.2 | Low | 61.3 | Low | 231 Ų | 231 | 148.2 Ų | 148.2 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 124.2 | -177.9 | 173.7 | 179.3 | -83.8 | 148.1 | -7 | 109.3 | P119 Q123 | P119-R121 PolarHBondContact O-N 3.06Å; R121-Q123 PolarHBondContact O-N 3.33Å |
| 122 | P | 65.8 | Low | 61.4 | Low | 115 Ų | 115 | 150.9 Ų | 150.9 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 138.6 | 178 | 22.6 | -31.3 | 0 | 0 | 0 | 110.1 | G124 | P122-G124 PolarHBondContact O-N 3.06Š|
| 123 | Q | 61.3 | Low | 61.4 | Low | 191 Ų | 191 | 146.2 Ų | 146.2 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -66 | 132 | 178.3 | -67.6 | -174.8 | -9.3 | 0 | 0 | 109.4 | R121 Q125 | R121-Q123 PolarHBondContact O-N 3.33Å; Q123-Q125 PolarHBondContact O-N 2.84Å; Q123-Q125 VanDerWaalsContact O-N 3.12Å |
| 124 | G | 62.6 | Low | 61 | Low | 78 Ų | 78 | 145 Ų | 145 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -68 | 109.4 | 178 | 0 | 0 | 0 | 0 | 0 | 110.2 | P122 R126 | P122-G124 PolarHBondContact O-N 3.06Å; G124-R126 PolarHBondContact O-N 3.33Å; G124-R126 VanDerWaalsContact O-N 3.07Å | ||
| 125 | Q | 54.7 | Low | 60.3 | Low | 186 Ų | 186 | 150 Ų | 150 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -79.4 | 90.1 | 172.3 | -168.4 | 161.7 | -25.1 | 0 | 0 | 108.5 | Q123 T127 | Q123-Q125 PolarHBondContact O-N 2.84Å; Q123-Q125 VanDerWaalsContact O-N 3.12Å; Q125-T127 PolarHBondContact O-N 3.02Å | ||
| 126 | R | 61.3 | Low | 59.6 | Low | 230 Ų | 230 | 149.3 Ų | 149.3 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | trans | -76.3 | 103.8 | 170.2 | -174.1 | 178 | -170.4 | 142.8 | 1.6 | 107.6 | G124 E128 | G124-R126 PolarHBondContact O-N 3.33Å; G124-R126 VanDerWaalsContact O-N 3.07Å; R126-E128 PolarHBondContact O-N 3.23Å | ||
| 127 | T | 67.4 | Low | 59.3 | Low | 123 Ų | 123 | 147.3 Ų | 147.3 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 121.4 | 168.5 | -38.1 | 0 | 0 | 0 | 0 | 107.8 | Q125 | Q125-T127 PolarHBondContact O-N 3.02Š|
| 128 | E | 71.7 | Confident | 58.7 | Low | 171 Ų | 171 | 141.3 Ų | 141.3 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 136.8 | 175.9 | -159.5 | 176.5 | 117.7 | 0 | 0 | 108.8 | R126 E130 | R126-E128 PolarHBondContact O-N 3.23Å; E128-E130 PolarHBondContact O-N 3.15Å |
| 129 | P | 57.9 | Low | 57.8 | Low | 108 Ų | 108 | 144.6 Ų | 144.6 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 124.9 | 178.4 | 22.2 | -31.2 | 0 | 0 | 0 | 110.5 | S131 | P129-S131 PolarHBondContact O-N 3.07Å; P129-S131 VanDerWaalsContact O-N 3.15Å |
| 130 | E | 64.3 | Low | 56.7 | Low | 163 Ų | 163 | 143 Ų | 143 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -49.8 | 114.4 | 175.4 | -178 | 86.8 | 84.5 | 0 | 0 | 110.5 | E128 R132 | E128-E130 PolarHBondContact O-N 3.15Å; E130-R132 HydrophobicContact CG-CG 3.83Å; E130-R132 PolarHBondContact O-N 2.82Å | ||
| 131 | S | 63.2 | Low | 55.7 | Low | 118 Ų | 118 | 145.2 Ų | 145.2 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -71.8 | 74.4 | 169.6 | -173.4 | 0 | 0 | 0 | 0 | 109.1 | P129 G133 | P129-S131 PolarHBondContact O-N 3.07Å; P129-S131 VanDerWaalsContact O-N 3.15Å; S131-G133 PolarHBondContact O-N 3.1Å; S131-G133 VanDerWaalsContact O-N 3.1Å | ||
| 132 | R | 55.5 | Low | 55.4 | Low | 227 Ų | 227 | 141 Ų | 141 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | trans | -75.1 | 98.9 | 166.6 | -93.3 | 173 | 94.6 | 151.5 | 3.6 | 107.7 | E130 G134 | E130-R132 HydrophobicContact CG-CG 3.83Å; E130-R132 PolarHBondContact O-N 2.82Å; R132-G134 PolarHBondContact O-N 3.4Å | ||
| 133 | G | 57.3 | Low | 54.9 | Low | 78 Ų | 78 | 137.7 Ų | 137.7 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -42.4 | 131.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | S131 | S131-G133 PolarHBondContact O-N 3.1Å; S131-G133 VanDerWaalsContact O-N 3.1Å | ||
| 134 | G | 47.1 | Very low | 54.7 | Low | 66 Ų | 66 | 137.9 Ų | 137.9 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | trans | -147.1 | 89.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | R132 | R132-G134 PolarHBondContact O-N 3.4Š| ||
| 135 | M | 47.1 | Very low | 54.2 | Low | 174 Ų | 174 | 142.6 Ų | 142.6 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | trans | 28.2 | 99.1 | 142.3 | -159.8 | 70 | 174 | 0 | 0 | 117 | P137 | M135-P137 WeakPolarHBondContact O-CD 3.36Š| ||
| 136 | F | 45.3 | Very low | 54.2 | Low | 192 Ų | 192 | 139.8 Ų | 139.8 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | trans | -73.4 | 125.1 | 155.6 | -93.2 | -100.8 | 0 | 0 | 0 | 109.5 | ||||
| 137 | P | 51.2 | Low | 54 | Low | 116 Ų | 116 | 134.1 Ų | 134.1 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | -105.3 | 112.3 | 154.3 | 32 | -17.9 | 0 | 0 | 0 | 109.2 | M135 | M135-P137 WeakPolarHBondContact O-CD 3.36Š| ||
| 138 | G | 48.4 | Very low | 53.5 | Low | 64 Ų | 64 | 137.2 Ų | 137.2 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | trans | 101.3 | 81.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 139 | F | 41.5 | Very low | 52.9 | Low | 182 Ų | 182 | 132.1 Ų | 132.1 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | trans | -139.1 | 79 | 142 | -125.3 | -85.9 | 0 | 0 | 0 | 108.5 | ||||
| 140 | G | 45.3 | Very low | 52.8 | Low | 67 Ų | 67 | 135.1 Ų | 135.1 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | trans | -87.3 | 144.9 | 149.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 141 | E | 42.7 | Very low | 52.2 | Low | 170 Ų | 170 | 130.6 Ų | 130.6 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 82.4 | 90.9 | 175 | -62.3 | -157.1 | 148.4 | 0 | 0 | 118.2 | G143 | E141-G143 PolarHBondContact O-N 3.22Š|
| 142 | T | 51.7 | Low | 52.3 | Low | 142 Ų | 142 | 129.1 Ų | 129.1 | 87% | 0.871 | 76% | 0.759 | S | S | * | * | trans | 21 | 91.7 | 136.6 | 57.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 143 | G | 56.2 | Low | 52 | Low | 45 Ų | 45 | 126.4 Ų | 126.4 | 46% | 0.464 | 75% | 0.753 | S | S | . | * | trans | -72.4 | 130.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | E141 | E141-G143 PolarHBondContact O-N 3.22Š| ||
| 144 | F | 55.6 | Low | 52 | Low | 196 Ų | 196 | 127.9 Ų | 127.9 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | -151.6 | 103.1 | 128.9 | -63.3 | -77.2 | 0 | 0 | 0 | 106.2 | M146 | F144-M146 HydrophobicContact CB-CE 4.49Š| |||
| 145 | H | 52.3 | Low | 52.4 | Low | 176 Ų | 176 | 132.7 Ų | 132.7 | 82% | 0.815 | 75% | 0.751 | S | S | * | * | trans | -129.6 | 112.1 | 165.7 | -160.3 | -106.2 | 0 | 0 | 0 | 111.1 | ||||
| 146 | M | 55.9 | Low | 52.9 | Low | 128 Ų | 128 | 127.7 Ų | 127.7 | 63% | 0.631 | 74% | 0.744 | S | S | * | * | trans | -69 | 132 | 179.2 | -46.2 | -66.4 | 172.9 | 0 | 0 | 109.1 | F144 F148 | F144-M146 HydrophobicContact CB-CE 4.49Å; M146-F148 HydrophobicContact CB-CD2 3.95Å; M146-F148 HydrophobicContact CB-CE2 3.65Å; M146-F148 HydrophobicContact CG-CE2 4.27Å | ||
| 147 | S | 55.8 | Low | 53.3 | Low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | -125 | 92.6 | 167.3 | -62.8 | 0 | 0 | 0 | 0 | 109 | G149 | S147-G149 PolarHBondContact O-N 3.3Š| ||
| 148 | F | 57.5 | Low | 53.1 | Low | 188 Ų | 188 | 129.5 Ų | 129.5 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | -68.8 | 106.4 | 174.7 | -74.5 | -98.7 | 0 | 0 | 0 | 109.6 | M146 | M146-F148 HydrophobicContact CB-CD2 3.95Å; M146-F148 HydrophobicContact CB-CE2 3.65Å; M146-F148 HydrophobicContact CG-CE2 4.27Å | ||
| 149 | G | 58.3 | Low | 53.2 | Low | 63 Ų | 63 | 133.1 Ų | 133.1 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | trans | -156.7 | 56.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S147 | S147-G149 PolarHBondContact O-N 3.3Š| ||
| 150 | I | 57.8 | Low | 53.7 | Low | 172 Ų | 172 | 131.3 Ų | 131.3 | 88% | 0.882 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 158.5 | 108.2 | 157.1 | -78.1 | 151 | 0 | 0 | 0 | 104 | A152 | I150-A152 PolarHBondContact O-N 2.94Š|
| 151 | G | 51.7 | Low | 54.1 | Low | 68 Ų | 68 | 132.5 Ų | 132.5 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | trans | -53.1 | 120.7 | -158.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | F153 | G151-F153 VanDerWaalsContact C-N 3.29Å; G151-F153 PolarHBondContact O-N 2.61Å; G151-F153 VanDerWaalsContact O-N 3.09Å | ||
| 152 | A | 64.6 | Low | 54.4 | Low | 87 Ų | 87 | 134 Ų | 134 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | trans | -72.4 | 85.2 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | I150 | I150-A152 PolarHBondContact O-N 2.94Š| ||
| 153 | F | 48.4 | Very low | 53.8 | Low | 169 Ų | 169 | 134.5 Ų | 134.5 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | trans | -145.4 | 137.5 | 164.9 | -112.9 | -92.9 | 0 | 0 | 0 | 108.8 | G151 F155 G156 | G151-F153 VanDerWaalsContact C-N 3.29Å; G151-F153 PolarHBondContact O-N 2.61Å; G151-F153 VanDerWaalsContact O-N 3.09Å; F153-F155 PolarHBondContact O-N 2.98Å; F153-G156 PolarHBondContact O-N 3.45Å | ||
| 154 | P | 57.3 | Low | 53.5 | Low | 109 Ų | 109 | 137.2 Ų | 137.2 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 8.2 | -171.2 | 27.8 | -34.4 | 0 | 0 | 0 | 115 | ||
| 155 | F | 55.7 | Low | 52.6 | Low | 168 Ų | 168 | 135 Ų | 135 | 74% | 0.737 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.1 | 28.9 | 179.6 | -53 | -72.8 | 0 | 0 | 0 | 113.5 | F153 F157 | F153-F155 PolarHBondContact O-N 2.98Å; F155-F157 PolarHBondContact O-N 2.95Å |
| 156 | G | 56.7 | Low | 52.2 | Low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | -66.5 | 38.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116 | F153 | F153-G156 PolarHBondContact O-N 3.45Š| ||
| 157 | F | 53.6 | Low | 51.9 | Low | 177 Ų | 177 | 131.8 Ų | 131.8 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | -98.3 | 7.1 | -172 | -92.8 | -80.3 | 0 | 0 | 0 | 115.8 | F155 | F155-F157 PolarHBondContact O-N 2.95Š| ||
| 158 | F | 48.5 | Very low | 51.2 | Low | 169 Ų | 169 | 136.2 Ų | 136.2 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -134.7 | 0.7 | -169.4 | -69.7 | -75.7 | 0 | 0 | 0 | 119.3 | ||
| 159 | T | 49.2 | Very low | 50.7 | Low | 140 Ų | 140 | 135.3 Ų | 135.3 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -99 | 3.6 | -172 | 64.9 | 0 | 0 | 0 | 0 | 116.6 | ||
| 160 | T | 52.4 | Low | 49.8 | Very low | 144 Ų | 144 | 143.8 Ų | 143.8 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -106.1 | 5.7 | 177.3 | -9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 161 | V | 55.1 | Low | 48.8 | Very low | 92 Ų | 92 | 139.3 Ų | 139.3 | 56% | 0.558 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -111.2 | 133.7 | 168.8 | -69.8 | 0 | 0 | 0 | 0 | 108.7 | ||
| 162 | F | 48 | Very low | 48 | Very low | 200 Ų | 200 | 143.1 Ų | 143.1 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | 86.8 | 62.8 | -177.8 | -44.3 | -69.7 | 0 | 0 | 0 | 117.4 | ||||
| 163 | N | 39.5 | Very low | 46.6 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -140.9 | 86.8 | 138.4 | -153.1 | -55.7 | 0 | 0 | 0 | 110.3 | ||||
| 164 | A | 50.5 | Low | 45.8 | Very low | 101 Ų | 101 | 149.1 Ų | 149.1 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -104.6 | 100.9 | 165 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 165 | N | 36.1 | Very low | 44.8 | Very low | 149 Ų | 149 | 150.4 Ų | 150.4 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -169.6 | 99.5 | 154.6 | -153.7 | 42 | 0 | 0 | 0 | 110.9 | ||||
| 166 | D | 44.2 | Very low | 43.8 | Very low | 145 Ų | 145 | 145.8 Ų | 145.8 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | -62.8 | 177 | 162.8 | -62.9 | -72.2 | 0 | 0 | 0 | 111 | ||||
| 167 | P | 49.2 | Very low | 42.5 | Very low | 92 Ų | 92 | 148.8 Ų | 148.8 | 60% | 0.597 | 78% | 0.783 | S | S | * | * | cis | -134.7 | 171.6 | -1.3 | 37 | -17.5 | 0 | 0 | 0 | 114.1 | ||||
| 168 | F | 40.7 | Very low | 42.2 | Very low | 204 Ų | 204 | 148.3 Ų | 148.3 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | 172.6 | 127.9 | 133.4 | -95.5 | -69.9 | 0 | 0 | 0 | 112.1 | ||||
| 169 | H | 46.5 | Very low | 41.7 | Very low | 169 Ų | 169 | 148.6 Ų | 148.6 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | trans | -77.8 | 152.4 | -172.7 | -62.2 | -94.7 | 0 | 0 | 0 | 114.9 | ||||
| 170 | R | 40 | Very low | 41.2 | Very low | 241 Ų | 241 | 147 Ų | 147 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | 148.9 | 144.5 | 126.8 | -85.2 | -176.4 | 156.7 | 91 | 1.7 | 111.2 | |||||
| 171 | A | 36.8 | Very low | 40.4 | Very low | 78 Ų | 78 | 146.6 Ų | 146.6 | 65% | 0.645 | 78% | 0.78 | S | S | * | * | cis | -173.9 | 150.5 | -13.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 172 | D | 35.7 | Very low | 39.5 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | 56.6 | 117.4 | 151.3 | -71.5 | -53.8 | 0 | 0 | 0 | 121.8 | ||||
| 173 | Q | 33.8 | Very low | 39.2 | Very low | 173 Ų | 173 | 142.1 Ų | 142.1 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | 179.6 | 128.1 | 90.9 | -89.2 | -172.5 | -19.1 | 0 | 0 | 114.3 | |||||
| 174 | Y | 32.7 | Very low | 39.5 | Very low | 209 Ų | 209 | 142.3 Ų | 142.3 | 82% | 0.82 | 78% | 0.777 | S | S | * | * | trans | 67.9 | 108.3 | 145.8 | -85 | -102.3 | 0 | 0 | 0 | 124.3 | ||||
| 175 | V | 35.6 | Very low | 39.6 | Very low | 137 Ų | 137 | 144 Ų | 144 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | trans | 61.4 | 114.4 | 134.6 | -174.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 176 | G | 34.8 | Very low | 40 | Very low | 71 Ų | 71 | 144 Ų | 144 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | trans | 158.8 | 96.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 177 | D | 30.2 | Very low | 39.8 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | 6.5 | 124.1 | 151.5 | -139.2 | -41.6 | 0 | 0 | 0 | 119.1 | ||||
| 178 | H | 46 | Very low | 40.1 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | 161.8 | 96.8 | 123.2 | -76.3 | -42.3 | 0 | 0 | 0 | 111.5 | |||||
| 179 | Q | 38.9 | Very low | 41 | Very low | 176 Ų | 176 | 136.7 Ų | 136.7 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | 29.9 | 102.1 | 131.7 | -164.6 | 152.7 | 8.6 | 0 | 0 | 119.3 | ||||
| 180 | A | 37.8 | Very low | 41.5 | Very low | 105 Ų | 105 | 135 Ų | 135 | 87% | 0.868 | 75% | 0.749 | S | S | * | * | trans | -134 | 93.3 | 145.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | G182 | A180-G182 PolarHBondContact O-N 2.79Š| ||
| 181 | N | 36.6 | Very low | 42.7 | Very low | 137 Ų | 137 | 126 Ų | 126 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | trans | -74 | 100.8 | 166.6 | 178.1 | 4.1 | 0 | 0 | 0 | 108.2 | N183 | N181-N183 PolarHBondContact O-N 2.94Š| ||
| 182 | G | 36.5 | Very low | 43.9 | Very low | 67 Ų | 67 | 127.2 Ų | 127.2 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | trans | -74 | 95.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | A180 | A180-G182 PolarHBondContact O-N 2.79Š| ||
| 183 | N | 41.6 | Very low | 45.5 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | trans | -85.7 | 111.9 | 159.2 | -178.8 | 17.2 | 0 | 0 | 0 | 107.9 | N181 | N181-N183 PolarHBondContact O-N 2.94Š| ||
| 184 | L | 46.3 | Very low | 47.4 | Very low | 157 Ų | 157 | 124.1 Ų | 124.1 | 82% | 0.822 | 69% | 0.689 | S | S | * | * | trans | -112.1 | 119.8 | 161.4 | -90.4 | 98.7 | 0 | 0 | 0 | 109.9 | ||||
| 185 | N | 50.8 | Low | 49.4 | Very low | 137 Ų | 137 | 117.9 Ų | 117.9 | 73% | 0.733 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 83.7 | 123.8 | 171.2 | -75.1 | -27.8 | 0 | 0 | 0 | 116.5 | ||
| 186 | N | 45 | Very low | 51.4 | Low | 150 Ų | 150 | 115.1 Ų | 115.1 | 80% | 0.802 | 66% | 0.656 | S | S | * | * | S | Bend | cis | -167 | 134.8 | 16.8 | -170.9 | -8 | 0 | 0 | 0 | 109.6 | ||
| 187 | G | 39.9 | Very low | 53.9 | Low | 64 Ų | 64 | 116.2 Ų | 116.2 | 66% | 0.66 | 65% | 0.645 | S | S | * | * | trans | 163.2 | 54.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | N189 | G187-N189 PolarHBondContact O-N 3.39Š| ||
| 188 | N | 56.8 | Low | 56.6 | Low | 93 Ų | 93 | 117.6 Ų | 117.6 | 50% | 0.497 | 65% | 0.645 | S | S | . | * | trans | -45.1 | 100.5 | -175.5 | -175.5 | 19.7 | 0 | 0 | 0 | 111.6 | N190 | N188-N190 PolarHBondContact OD1-N 3.02Å; N188-N190 PolarHBondContact OD1-O 3.01Å | ||
| 189 | N | 57.8 | Low | 58.4 | Low | 129 Ų | 129 | 114.9 Ų | 114.9 | 69% | 0.69 | 64% | 0.636 | S | S | * | * | trans | -124.7 | 28.1 | 165.5 | -91 | -30.9 | 0 | 0 | 0 | 110.7 | G187 | G187-N189 PolarHBondContact O-N 3.39Š| ||
| 190 | N | 58.7 | Low | 61 | Low | 133 Ų | 133 | 112.8 Ų | 112.8 | 71% | 0.711 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -127.2 | 87.6 | 165 | -73.5 | -20 | 0 | 0 | 0 | 105.5 | N188 | N188-N190 PolarHBondContact OD1-N 3.02Å; N188-N190 PolarHBondContact OD1-O 3.01Å |
| 191 | N | 63.7 | Low | 63.6 | Low | 54 Ų | 54 | 112.3 Ų | 112.3 | 29% | 0.289 | 61% | 0.61 | S | S | . | * | trans | 157.2 | 19.4 | 148.7 | -73.4 | -9.1 | 0 | 0 | 0 | 115.3 | W193 Q194 D195 | N191-W193 PolarHBondContact O-N 3.05Å; N191-Q194 HydrophobicContact CB-CB 4.02Å; N191-Q194 PolarHBondContact O-N 3Å; N191-Q194 PolarHBondContact OD1-NE2 2.93Å; N191-Q194 PolarHBondContact OD1-OE1 2.88Å; N191-D195 WeakPolarHBondContact CB-OD2 3.4Å; N191-D195 WeakPolarHBondContact O-CB 3.12Å; N191-D195 PolarHBondContact O-N 3.36Å | ||
| 192 | N | 63.6 | Low | 66.3 | Low | 102 Ų | 102 | 107.5 Ų | 107.5 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -51.9 | -32.7 | 178.9 | -65.1 | -14.8 | 0 | 0 | 0 | 114.3 | S196 | N192-S196 WeakPolarHBondContact O-CB 3.34Å; N192-S196 PolarHBondContact O-N 3.06Å; N192-S196 PolarHBondContact O-OG 3.46Å |
| 193 | W | 68.9 | Low | 69.1 | Low | 174 Ų | 174 | 107.9 Ų | 107.9 | 66% | 0.659 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -85.5 | -34.6 | 175.7 | 70 | -86.2 | 0 | 0 | 0 | 113.1 | N191 L197 | N191-W193 PolarHBondContact O-N 3.05Å; W193-L197 HydrophobicContact CE3-CD1 3.53Å; W193-L197 HydrophobicContact CZ3-CD1 3.83Å; W193-L197 VanDerWaalsContact O-CB 3.28Å; W193-L197 WeakPolarHBondContact O-CB 3.12Å; W193-L197 WeakPolarHBondContact O-CG 3.25Å; W193-L197 PolarHBondContact O-N 2.96Å |
| 194 | Q | 72.6 | Confident | 71.6 | Confident | 82 Ų | 82 | 106.1 Ų | 106.1 | 38% | 0.383 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72.8 | -44.3 | 179.1 | -75.5 | 154.1 | 66.7 | 0 | 0 | 111.5 | N191 S196 L197 F198 | N191-Q194 HydrophobicContact CB-CB 4.02Å; N191-Q194 PolarHBondContact O-N 3Å; N191-Q194 PolarHBondContact OD1-NE2 2.93Å; N191-Q194 PolarHBondContact OD1-OE1 2.88Å; Q194-S196 VanDerWaalsContact C-N 3.35Å; Q194-L197 PolarHBondContact O-N 3.42Å; Q194-F198 WeakPolarHBondContact O-CB 3.37Å; Q194-F198 PolarHBondContact O-N 3.3Å |
| 195 | D | 74.8 | Confident | 73.9 | Confident | 79 Ų | 79 | 104.2 Ų | 104.2 | 42% | 0.422 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 176.2 | -63 | -26.1 | 0 | 0 | 0 | 110.5 | N191 L199 | N191-D195 WeakPolarHBondContact CB-OD2 3.4Å; N191-D195 WeakPolarHBondContact O-CB 3.12Å; N191-D195 PolarHBondContact O-N 3.36Å; D195-L199 WeakPolarHBondContact O-CB 3.33Å; D195-L199 PolarHBondContact O-N 3.47Å |
| 196 | S | 78.4 | Confident | 76 | Confident | 78 Ų | 78 | 104.3 Ų | 104.3 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.2 | -40.3 | 174.7 | -65.2 | 0 | 0 | 0 | 0 | 112.8 | N192 Q194 F200 | N192-S196 WeakPolarHBondContact O-CB 3.34Å; N192-S196 PolarHBondContact O-N 3.06Å; N192-S196 PolarHBondContact O-OG 3.46Å; Q194-S196 VanDerWaalsContact C-N 3.35Å; S196-F200 WeakPolarHBondContact O-CB 3.41Å; S196-F200 PolarHBondContact O-N 3.13Å |
| 197 | L | 86.8 | Confident | 78.4 | Confident | 95 Ų | 95 | 103.8 Ų | 103.8 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68 | -41.3 | 176.2 | -76.2 | 174.1 | 0 | 0 | 0 | 111.7 | W193 Q194 F200 V201 | W193-L197 HydrophobicContact CE3-CD1 3.53Å; W193-L197 HydrophobicContact CZ3-CD1 3.83Å; W193-L197 VanDerWaalsContact O-CB 3.28Å; W193-L197 WeakPolarHBondContact O-CB 3.12Å; W193-L197 WeakPolarHBondContact O-CG 3.25Å; W193-L197 PolarHBondContact O-N 2.96Å; Q194-L197 PolarHBondContact O-N 3.42Å; L197-F200 PolarHBondContact O-N 3.28Å; L197-V201 WeakPolarHBondContact O-CG2 3.28Å; L197-V201 PolarHBondContact O-N 3.46Å |
| 198 | F | 85.9 | Confident | 81 | Confident | 160 Ų | 160 | 107.9 Ų | 107.9 | 70% | 0.702 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.2 | -43.8 | 177.8 | -174.3 | -102.7 | 0 | 0 | 0 | 111.4 | Q194 F200 V201 A202 | Q194-F198 WeakPolarHBondContact O-CB 3.37Å; Q194-F198 PolarHBondContact O-N 3.3Å; F198-F200 VanDerWaalsContact C-N 3.34Å; F198-F200 PolarHBondContact O-N 3.41Å; F198-V201 PolarHBondContact O-N 2.98Å; F198-A202 WeakPolarHBondContact O-CB 3.32Å; F198-A202 PolarHBondContact O-N 3.32Å |
| 199 | L | 85.6 | Confident | 82.6 | Confident | 110 Ų | 110 | 107.3 Ų | 107.3 | 58% | 0.576 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.6 | -39.1 | 176 | -168.6 | 128.8 | 0 | 0 | 0 | 112 | D195 A202 I203 | D195-L199 WeakPolarHBondContact O-CB 3.33Å; D195-L199 PolarHBondContact O-N 3.47Å; L199-A202 PolarHBondContact O-N 3.33Å; L199-I203 HydrophobicContact CD2-CD1 3.62Å; L199-I203 HydrophobicContact CG-CD1 4.26Å; L199-I203 VanDerWaalsContact O-CG1 3.25Å; L199-I203 WeakPolarHBondContact O-CG1 3.29Å; L199-I203 PolarHBondContact O-N 3.35Å |
| 200 | F | 92.3 | Very high | 84 | Confident | 132 Ų | 132 | 108 Ų | 108 | 58% | 0.579 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.4 | -44.7 | 176.9 | -170.3 | -103.1 | 0 | 0 | 0 | 112.7 | S196 L197 F198 I203 I204 | S196-F200 WeakPolarHBondContact O-CB 3.41Å; S196-F200 PolarHBondContact O-N 3.13Å; L197-F200 PolarHBondContact O-N 3.28Å; F198-F200 VanDerWaalsContact C-N 3.34Å; F198-F200 PolarHBondContact O-N 3.41Å; F200-I203 PolarHBondContact O-N 3.04Å; F200-I204 HydrophobicContact CD1-CD1 3.69Å; F200-I204 HydrophobicContact CE1-CD1 3.34Å; F200-I204 HydrophobicContact CE1-CG1 4.42Å; F200-I204 HydrophobicContact CZ-CD1 3.9Å; F200-I204 WeakPolarHBondContact O-CG1 3.35Å; F200-I204 PolarHBondContact O-N 3.33Å; F200-I204 VanDerWaalsContact O-N 3.13Å |
| 201 | V | 93.4 | Very high | 85.3 | Confident | 94 Ų | 94 | 106 Ų | 106 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.4 | -41.1 | 176.6 | 173 | 0 | 0 | 0 | 0 | 111.1 | L197 F198 I203 I204 F205 | L197-V201 WeakPolarHBondContact O-CG2 3.28Å; L197-V201 PolarHBondContact O-N 3.46Å; F198-V201 PolarHBondContact O-N 2.98Å; V201-I203 PolarHBondContact O-N 2.75Å; V201-I204 PolarHBondContact O-N 3.05Å; V201-F205 PolarHBondContact O-N 3.36Å |
| 202 | A | 92.4 | Very high | 86.2 | Confident | 36 Ų | 36 | 110.3 Ų | 110.3 | 30% | 0.298 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.6 | -43.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F198 L199 F205 F206 | F198-A202 WeakPolarHBondContact O-CB 3.32Å; F198-A202 PolarHBondContact O-N 3.32Å; L199-A202 PolarHBondContact O-N 3.33Å; A202-F205 PolarHBondContact O-N 3.04Å; A202-F206 VanDerWaalsContact O-CD2 3.29Å; A202-F206 WeakPolarHBondContact O-CD2 3.16Å; A202-F206 PolarHBondContact O-N 3.31Å |
| 203 | I | 94.6 | Very high | 87.4 | Confident | 76 Ų | 76 | 110.7 Ų | 110.7 | 39% | 0.39 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.6 | -45.1 | 178 | -71 | 168 | 0 | 0 | 0 | 111.3 | L199 F200 V201 F205 F206 F207 | L199-I203 HydrophobicContact CD2-CD1 3.62Å; L199-I203 HydrophobicContact CG-CD1 4.26Å; L199-I203 VanDerWaalsContact O-CG1 3.25Å; L199-I203 WeakPolarHBondContact O-CG1 3.29Å; L199-I203 PolarHBondContact O-N 3.35Å; F200-I203 PolarHBondContact O-N 3.04Å; V201-I203 PolarHBondContact O-N 2.75Å; I203-F205 VanDerWaalsContact C-N 3.3Å; I203-F205 PolarHBondContact O-N 3.09Å; I203-F206 PolarHBondContact O-N 3.31Å; I203-F207 HydrophobicContact CG2-CD2 3.61Å; I203-F207 HydrophobicContact CG2-CE2 3.33Å; I203-F207 WeakPolarHBondContact O-CD2 3.36Å; I203-F207 PolarHBondContact O-N 2.96Å |
| 204 | I | 94.2 | Very high | 88.3 | Confident | 93 Ų | 93 | 107.4 Ų | 107.4 | 48% | 0.477 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 177.4 | -69.8 | 171 | 0 | 0 | 0 | 111.1 | F200 V201 F207 W208 | F200-I204 HydrophobicContact CD1-CD1 3.69Å; F200-I204 HydrophobicContact CE1-CD1 3.34Å; F200-I204 HydrophobicContact CE1-CG1 4.42Å; F200-I204 HydrophobicContact CZ-CD1 3.9Å; F200-I204 WeakPolarHBondContact O-CG1 3.35Å; F200-I204 PolarHBondContact O-N 3.33Å; F200-I204 VanDerWaalsContact O-N 3.13Å; V201-I204 PolarHBondContact O-N 3.05Å; I204-F207 PolarHBondContact O-N 3.4Å; I204-W208 WeakPolarHBondContact O-CB 3.44Å; I204-W208 PolarHBondContact O-N 3.35Å |
| 205 | F | 94.9 | Very high | 89.2 | Confident | 117 Ų | 117 | 108.8 Ų | 108.8 | 51% | 0.513 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.1 | -40.5 | 178.6 | -177 | -104.9 | 0 | 0 | 0 | 112.6 | V201 A202 I203 W208 L209 | V201-F205 PolarHBondContact O-N 3.36Å; A202-F205 PolarHBondContact O-N 3.04Å; I203-F205 VanDerWaalsContact C-N 3.3Å; I203-F205 PolarHBondContact O-N 3.09Å; F205-W208 HydrophobicContact CE2-CE3 4.35Å; F205-W208 PolarHBondContact O-N 2.85Å; F205-L209 HydrophobicContact CD1-CD1 3.93Å; F205-L209 HydrophobicContact CE1-CD1 3.36Å; F205-L209 HydrophobicContact CE1-CG 4.23Å; F205-L209 HydrophobicContact CZ-CD1 3.76Å; F205-L209 HydrophobicContact CZ-CG 4.26Å; F205-L209 PolarHBondContact O-N 3.02Å |
| 206 | F | 95.8 | Very high | 90 | Very high | 139 Ų | 139 | 110.5 Ų | 110.5 | 61% | 0.61 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.8 | -44 | 174.3 | -91 | -72.8 | 0 | 0 | 0 | 112.3 | A202 I203 W208 L209 L210 | A202-F206 VanDerWaalsContact O-CD2 3.29Å; A202-F206 WeakPolarHBondContact O-CD2 3.16Å; A202-F206 PolarHBondContact O-N 3.31Å; I203-F206 PolarHBondContact O-N 3.31Å; F206-W208 VanDerWaalsContact C-N 3.31Å; F206-W208 PolarHBondContact O-N 3.32Å; F206-L209 PolarHBondContact O-N 3.46Å; F206-L210 WeakPolarHBondContact O-CG 3.5Å; F206-L210 PolarHBondContact O-N 3.33Å |
| 207 | F | 95.3 | Very high | 90.8 | Very high | 139 Ų | 139 | 112.6 Ų | 112.6 | 61% | 0.61 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.5 | -37.1 | 176.2 | -76.5 | -61.5 | 0 | 0 | 0 | 112.5 | I203 I204 L210 S211 | I203-F207 HydrophobicContact CG2-CD2 3.61Å; I203-F207 HydrophobicContact CG2-CE2 3.33Å; I203-F207 WeakPolarHBondContact O-CD2 3.36Å; I203-F207 PolarHBondContact O-N 2.96Å; I204-F207 PolarHBondContact O-N 3.4Å; F207-L210 PolarHBondContact O-N 3.1Å; F207-S211 WeakPolarHBondContact O-CB 3.45Å; F207-S211 PolarHBondContact O-N 3.4Å; F207-S211 VanDerWaalsContact O-N 3.15Å; F207-S211 PolarHBondContact O-OG 2.98Å |
| 208 | W | 94.4 | Very high | 91 | Very high | 151 Ų | 151 | 113.7 Ų | 113.7 | 57% | 0.572 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.7 | -45.5 | 174.3 | -174.8 | 77.4 | 0 | 0 | 0 | 111.7 | I204 F205 F206 L210 S211 V212 | I204-W208 WeakPolarHBondContact O-CB 3.44Å; I204-W208 PolarHBondContact O-N 3.35Å; F205-W208 HydrophobicContact CE2-CE3 4.35Å; F205-W208 PolarHBondContact O-N 2.85Å; F206-W208 VanDerWaalsContact C-N 3.31Å; F206-W208 PolarHBondContact O-N 3.32Å; W208-L210 VanDerWaalsContact C-N 3.31Å; W208-L210 PolarHBondContact O-N 3.15Å; W208-S211 PolarHBondContact O-N 3.37Å; W208-S211 VanDerWaalsContact O-N 3.1Å; W208-S211 PolarHBondContact O-OG 3.18Å; W208-V212 PolarHBondContact O-N 2.8Å |
| 209 | L | 90.9 | Very high | 91.4 | Very high | 81 Ų | 81 | 110.4 Ų | 110.4 | 42% | 0.424 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.3 | -30.5 | 176.3 | -90.2 | 172.5 | 0 | 0 | 0 | 114.1 | F205 F206 S211 | F205-L209 HydrophobicContact CD1-CD1 3.93Å; F205-L209 HydrophobicContact CE1-CD1 3.36Å; F205-L209 HydrophobicContact CE1-CG 4.23Å; F205-L209 HydrophobicContact CZ-CD1 3.76Å; F205-L209 HydrophobicContact CZ-CG 4.26Å; F205-L209 PolarHBondContact O-N 3.02Å; F206-L209 PolarHBondContact O-N 3.46Å; L209-S211 VanDerWaalsContact C-N 3.3Å |
| 210 | L | 87.3 | Confident | 91.8 | Very high | 143 Ų | 143 | 110.5 Ų | 110.5 | 75% | 0.749 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -80.5 | -14.9 | 175.6 | -69.3 | 173.8 | 0 | 0 | 0 | 112.8 | F206 F207 W208 | F206-L210 WeakPolarHBondContact O-CG 3.5Å; F206-L210 PolarHBondContact O-N 3.33Å; F207-L210 PolarHBondContact O-N 3.1Å; W208-L210 VanDerWaalsContact C-N 3.31Å; W208-L210 PolarHBondContact O-N 3.15Å |
| 211 | S | 86.5 | Confident | 91.8 | Very high | 92 Ų | 92 | 108.7 Ų | 108.7 | 64% | 0.643 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -98.2 | -11.5 | 179.7 | 74.6 | 0 | 0 | 0 | 0 | 114.3 | F207 W208 L209 | F207-S211 WeakPolarHBondContact O-CB 3.45Å; F207-S211 PolarHBondContact O-N 3.4Å; F207-S211 VanDerWaalsContact O-N 3.15Å; F207-S211 PolarHBondContact O-OG 2.98Å; W208-S211 PolarHBondContact O-N 3.37Å; W208-S211 VanDerWaalsContact O-N 3.1Å; W208-S211 PolarHBondContact O-OG 3.18Å; L209-S211 VanDerWaalsContact C-N 3.3Å |
| 212 | V | 82.1 | Confident | 91.7 | Very high | 143 Ų | 143 | 110 Ų | 110 | 87% | 0.867 | 56% | 0.559 | S | S | * | * | trans | -101 | 0 | 179 | 101.5 | 0 | 0 | 0 | 0 | 110.4 | W208 | W208-V212 PolarHBondContact O-N 2.8Š|
Retrieved 212 of 212 residues in 54.2 ms
(Link to these results)