| 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 | 41.6 | Very low | 54.5 | Low | 235 Ų | 235 | 151.5 Ų | 151.5 | 100% | 1.158 | 82% | 0.824 | S | S | * | * | 0 | 126.2 | 0 | -81.8 | 168.2 | 138.4 | 0 | 0 | 106.3 | |||||
| 2 | S | 49.7 | Very low | 54.8 | Low | 121 Ų | 121 | 149.3 Ų | 149.3 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | trans | 88.4 | 59.8 | 174.7 | -43.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 3 | D | 51.6 | Low | 55 | Low | 168 Ų | 168 | 148.5 Ų | 148.5 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | -106 | 86.5 | 157.8 | -60.3 | -55.2 | 0 | 0 | 0 | 107.8 | ||||
| 4 | E | 59.2 | Low | 54.9 | Low | 193 Ų | 193 | 149.1 Ų | 149.1 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -126.2 | 87.9 | 163.6 | -161.1 | 164.7 | 94.6 | 0 | 0 | 107.2 | G6 | E4-G6 PolarHBondContact O-N 3.36Š| ||
| 5 | S | 56.6 | Low | 54.7 | Low | 101 Ų | 101 | 147.3 Ų | 147.3 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | trans | -47.5 | 99.5 | 171.1 | 51.2 | 0 | 0 | 0 | 0 | 110.8 | Y7 | S5-Y7 PolarHBondContact O-N 3.39Š| ||
| 6 | G | 55.1 | Low | 54.8 | Low | 70 Ų | 70 | 148.5 Ų | 148.5 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | -60.4 | 117.9 | 159 | 0 | 0 | 0 | 0 | 0 | 109.4 | E4 D8 | E4-G6 PolarHBondContact O-N 3.36Å; G6-D8 PolarHBondContact O-N 3.39Å | ||
| 7 | Y | 51.1 | Low | 54.8 | Low | 218 Ų | 218 | 147.5 Ų | 147.5 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -53.2 | 118.4 | 167.4 | -67.4 | -100 | 0 | 0 | 0 | 109.9 | S5 | S5-Y7 PolarHBondContact O-N 3.39Š| ||
| 8 | D | 56.6 | Low | 54.8 | Low | 137 Ų | 137 | 141.6 Ų | 141.6 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -120.2 | 117 | 164.7 | -118.5 | -33.7 | 0 | 0 | 0 | 110.5 | G6 C10 | G6-D8 PolarHBondContact O-N 3.39Å; D8-C10 PolarHBondContact O-N 3.38Å | ||
| 9 | I | 58.4 | Low | 54.8 | Low | 145 Ų | 145 | 137.5 Ų | 137.5 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 16.1 | -172.7 | -81.1 | 153.4 | 0 | 0 | 0 | 112.9 | ||
| 10 | C | 60 | Low | 54.9 | Low | 97 Ų | 97 | 139 Ų | 139 | 66% | 0.655 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -18.1 | -178.7 | -77 | 0 | 0 | 0 | 0 | 113.9 | D8 C12 | D8-C10 PolarHBondContact O-N 3.38Å; C10-C12 VanDerWaalsContact C-N 3.34Å |
| 11 | E | 59.8 | Low | 55 | Low | 182 Ų | 182 | 142.9 Ų | 142.9 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -17.3 | 179.9 | -152.5 | 170.8 | -167.6 | 0 | 0 | 113.1 | ||
| 12 | C | 58.4 | Low | 55.9 | Low | 125 Ų | 125 | 136.6 Ų | 136.6 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -6.4 | -171.5 | -86.1 | 0 | 0 | 0 | 0 | 116.6 | C10 | C10-C12 VanDerWaalsContact C-N 3.34Š|
| 13 | I | 57 | Low | 56.4 | Low | 138 Ų | 138 | 137.1 Ų | 137.1 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -111.7 | -16.3 | -172.7 | -85.1 | 167.5 | 0 | 0 | 0 | 114 | ||
| 14 | Q | 53.5 | Low | 56.8 | Low | 158 Ų | 158 | 135.8 Ų | 135.8 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -99 | -3.1 | -163.5 | -151.1 | 159.3 | 11 | 0 | 0 | 115.8 | H16 | Q14-H16 PolarHBondContact O-N 3.47Š|
| 15 | S | 52.6 | Low | 56.9 | Low | 121 Ų | 121 | 128.2 Ų | 128.2 | 85% | 0.846 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -25 | -177.7 | 178.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 16 | H | 55 | Low | 57 | Low | 167 Ų | 167 | 129.3 Ų | 129.3 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | -17.7 | -166.9 | -156.4 | -78.9 | 0 | 0 | 0 | 116 | Q14 | Q14-H16 PolarHBondContact O-N 3.47Š|
| 17 | N | 55.5 | Low | 57.5 | Low | 131 Ų | 131 | 133 Ų | 133 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | -0.8 | -175.4 | -68.4 | -34.2 | 0 | 0 | 0 | 114.2 | ||
| 18 | G | 55.3 | Low | 57.8 | Low | 42 Ų | 42 | 133.3 Ų | 133.3 | 43% | 0.433 | 70% | 0.701 | S | S | . | * | S | Bend | trans | -81.8 | -25.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | M20 | G18-M20 PolarHBondContact O-N 2.91Š|
| 19 | A | 54.7 | Low | 57.7 | Low | 64 Ų | 64 | 134.9 Ų | 134.9 | 53% | 0.529 | 70% | 0.704 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.8 | -13.4 | -165.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 20 | M | 55.7 | Low | 57.7 | Low | 167 Ų | 167 | 133.3 Ų | 133.3 | 82% | 0.823 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -18.3 | -176.3 | -73.3 | -167.8 | -173.2 | 0 | 0 | 115 | G18 | G18-M20 PolarHBondContact O-N 2.91Š|
| 21 | R | 57 | Low | 57.2 | Low | 221 Ų | 221 | 136.2 Ų | 136.2 | 83% | 0.834 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -15.8 | -177.1 | -69.1 | -179.7 | 179.6 | 177.1 | 0.5 | 113.9 | L23 | R21-L23 VanDerWaalsContact C-N 3.29Å; R21-L23 PolarHBondContact O-N 2.94Å |
| 22 | Q | 60.2 | Low | 57 | Low | 102 Ų | 102 | 136.6 Ų | 136.6 | 48% | 0.477 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -71.1 | -19.8 | 178.9 | -161.7 | 168.7 | 7.7 | 0 | 0 | 113.5 | ||
| 23 | L | 61.7 | Low | 56.3 | Low | 132 Ų | 132 | 141.1 Ų | 141.1 | 69% | 0.691 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -79.8 | -23.9 | -177.9 | -111.1 | 97.9 | 0 | 0 | 0 | 115 | R21 | R21-L23 VanDerWaalsContact C-N 3.29Å; R21-L23 PolarHBondContact O-N 2.94Å |
| 24 | L | 60.3 | Low | 55.5 | Low | 141 Ų | 141 | 140.9 Ų | 140.9 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -92.4 | -17.1 | -179.3 | -86.6 | 110.4 | 0 | 0 | 0 | 114 | ||
| 25 | G | 60 | Low | 55.1 | Low | 34 Ų | 34 | 137.6 Ų | 137.6 | 35% | 0.351 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -70.1 | -35 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | L27 | G25-L27 VanDerWaalsContact C-N 3.33Å; G25-L27 PolarHBondContact O-N 3.03Å |
| 26 | I | 59.7 | Low | 54.8 | Low | 124 Ų | 124 | 138.7 Ų | 138.7 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -18.7 | -172.2 | -62.7 | 178.1 | 0 | 0 | 0 | 113.2 | ||
| 27 | L | 64.5 | Low | 54.3 | Low | 148 Ų | 148 | 136 Ų | 136 | 78% | 0.775 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -14.1 | -178.6 | -79.5 | 154.4 | 0 | 0 | 0 | 114.3 | G25 | G25-L27 VanDerWaalsContact C-N 3.33Å; G25-L27 PolarHBondContact O-N 3.03Å |
| 28 | R | 57.9 | Low | 54.1 | Low | 224 Ų | 224 | 135.6 Ų | 135.6 | 85% | 0.845 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | -11.2 | -174.9 | -132.2 | 177.4 | -167 | 170.1 | 3.1 | 114.5 | ||
| 29 | Q | 54.8 | Low | 53.7 | Low | 170 Ų | 170 | 139.4 Ų | 139.4 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -87.3 | -4.3 | -178.1 | -92.9 | 179.3 | -36.5 | 0 | 0 | 115.5 | ||
| 30 | T | 57.4 | Low | 53.5 | Low | 111 Ų | 111 | 142.9 Ų | 142.9 | 68% | 0.681 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -93.5 | -6.7 | -176.1 | 48.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 31 | Q | 50.8 | Low | 53 | Low | 159 Ų | 159 | 141.6 Ų | 141.6 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -141.8 | 107.2 | -175.8 | -63.1 | -175.5 | 21.6 | 0 | 0 | 111.6 | ||
| 32 | E | 54 | Low | 52.7 | Low | 189 Ų | 189 | 137.9 Ų | 137.9 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 57.2 | 82.3 | 146.5 | -54.6 | -165.9 | 162.1 | 0 | 0 | 117.4 | ||
| 33 | Y | 45.7 | Very low | 52.4 | Low | 220 Ų | 220 | 139.7 Ų | 139.7 | 86% | 0.863 | 75% | 0.753 | S | S | * | * | -172.2 | 95.8 | 118.8 | -143.8 | -110.2 | 0 | 0 | 0 | 110 | S35 | Y33-S35 PolarHBondContact O-N 3.46Š| |||
| 34 | C | 40.2 | Very low | 51.9 | Low | 134 Ų | 134 | 137.6 Ų | 137.6 | 91% | 0.905 | 75% | 0.75 | S | S | * | * | trans | -64.3 | 117.6 | 160.2 | -136.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 35 | S | 45.2 | Very low | 51.3 | Low | 88 Ų | 88 | 138.6 Ų | 138.6 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | trans | -170 | 115.9 | 141.1 | -145.8 | 0 | 0 | 0 | 0 | 111 | Y33 | Y33-S35 PolarHBondContact O-N 3.46Š| ||
| 36 | D | 45.7 | Very low | 50.8 | Low | 144 Ų | 144 | 142.2 Ų | 142.2 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 67.1 | 105.3 | 157.3 | -66.7 | -48.3 | 0 | 0 | 0 | 120.7 | ||
| 37 | S | 44.9 | Very low | 50.6 | Low | 112 Ų | 112 | 141.1 Ų | 141.1 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 90.5 | 118.2 | 151.2 | 74 | 0 | 0 | 0 | 0 | 119.2 | ||
| 38 | S | 50.3 | Low | 49.9 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | 79.3 | 84.5 | 161.3 | 59.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 39 | C | 47 | Very low | 49.5 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -91.8 | 137.7 | 156.5 | -46.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 40 | V | 50 | Low | 49.5 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | trans | 156 | 120 | 159.9 | -74.8 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 41 | D | 46.9 | Very low | 49.5 | Very low | 140 Ų | 140 | 135 Ų | 135 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | cis | -160.9 | 111.2 | 40.1 | -88.6 | -57.9 | 0 | 0 | 0 | 102.3 | ||||
| 42 | D | 49.8 | Very low | 50 | Low | 143 Ų | 143 | 132.5 Ų | 132.5 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | 31 | 139.8 | 72.1 | -140.2 | -33.7 | 0 | 0 | 0 | 113.5 | |||||
| 43 | L | 55 | Low | 50.5 | Low | 140 Ų | 140 | 128.8 Ų | 128.8 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | trans | 81.6 | 96.1 | 178.8 | -55.2 | 84.7 | 0 | 0 | 0 | 117 | ||||
| 44 | S | 49.2 | Very low | 51.3 | Low | 89 Ų | 89 | 123.7 Ų | 123.7 | 62% | 0.622 | 73% | 0.733 | S | S | * | * | 87.7 | 140.7 | 68.6 | -169.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 45 | H | 49.5 | Very low | 52.8 | Low | 161 Ų | 161 | 120.3 Ų | 120.3 | 75% | 0.745 | 71% | 0.711 | S | S | * | * | trans | 81.7 | 98.6 | 174 | -99.3 | 137.8 | 0 | 0 | 0 | 120.1 | P47 | H45-P47 WeakPolarHBondContact O-CD 3.37Š| ||
| 46 | T | 48.6 | Very low | 54.4 | Low | 111 Ų | 111 | 118 Ų | 118 | 68% | 0.681 | 70% | 0.7 | S | S | * | * | trans | -87.8 | 107.1 | 144.5 | -53.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 47 | P | 54.6 | Low | 56.2 | Low | 101 Ų | 101 | 115 Ų | 115 | 66% | 0.656 | 69% | 0.687 | S | S | * | * | trans | -88 | 128.8 | 178.2 | 28.1 | -21.9 | 0 | 0 | 0 | 111.7 | H45 | H45-P47 WeakPolarHBondContact O-CD 3.37Š| ||
| 48 | Q | 50.8 | Low | 58.1 | Low | 168 Ų | 168 | 116.2 Ų | 116.2 | 79% | 0.785 | 68% | 0.676 | S | S | * | * | trans | -37.2 | 129.3 | 165.8 | -162.6 | 168.6 | 42 | 0 | 0 | 112.7 | N50 | Q48-N50 PolarHBondContact O-N 3.47Š| ||
| 49 | S | 49.7 | Very low | 59.9 | Low | 114 Ų | 114 | 115.3 Ų | 115.3 | 80% | 0.797 | 66% | 0.66 | S | S | * | * | trans | -61.4 | 94.4 | 176 | 56.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 50 | N | 54.2 | Low | 61.8 | Low | 122 Ų | 122 | 116 Ų | 116 | 65% | 0.652 | 65% | 0.653 | S | S | * | * | trans | -78.1 | 119.5 | 160.9 | -72.8 | -57.5 | 0 | 0 | 0 | 107.2 | Q48 D52 | Q48-N50 PolarHBondContact O-N 3.47Å; N50-D52 PolarHBondContact O-N 3.36Å | ||
| 51 | P | 58 | Low | 63.8 | Low | 120 Ų | 120 | 113.3 Ų | 113.3 | 78% | 0.779 | 64% | 0.637 | S | S | * | * | trans | -68.9 | 99.8 | 172.5 | 28 | -31.1 | 0 | 0 | 0 | 107.6 | P53 | P51-P53 WeakPolarHBondContact O-CD 3.4Å; P51-P53 VanDerWaalsContact O-N 3.11Å | ||
| 52 | D | 61.1 | Low | 65.9 | Low | 107 Ų | 107 | 113 Ų | 113 | 57% | 0.572 | 63% | 0.629 | S | S | * | * | trans | -55.1 | 120.3 | 172.1 | -68.6 | -49.6 | 0 | 0 | 0 | 108.2 | N50 M54 S55 G56 | N50-D52 PolarHBondContact O-N 3.36Å; D52-M54 PolarHBondContact O-N 3.47Å; D52-S55 PolarHBondContact O-N 2.92Å; D52-G56 PolarHBondContact O-N 3.32Å | ||
| 53 | P | 63.6 | Low | 68 | Low | 110 Ų | 110 | 110.1 Ų | 110.1 | 71% | 0.714 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -58.7 | -23.5 | -179.1 | 23.4 | -33.1 | 0 | 0 | 0 | 111.2 | P51 T57 | P51-P53 WeakPolarHBondContact O-CD 3.4Å; P51-P53 VanDerWaalsContact O-N 3.11Å; P53-T57 WeakPolarHBondContact O-CB 3.33Å; P53-T57 VanDerWaalsContact O-CG2 3.29Å; P53-T57 WeakPolarHBondContact O-CG2 3.48Å; P53-T57 PolarHBondContact O-N 3.34Å; P53-T57 VanDerWaalsContact O-N 3.11Å; P53-T57 PolarHBondContact O-OG1 3.35Å |
| 54 | M | 63.2 | Low | 69.8 | Low | 114 Ų | 114 | 106 Ų | 106 | 56% | 0.562 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.5 | -46.9 | 173.2 | -145.5 | 91.5 | -179.6 | 0 | 0 | 112 | D52 G56 T57 Y58 | D52-M54 PolarHBondContact O-N 3.47Å; M54-G56 PolarHBondContact O-N 3.5Å; M54-T57 WeakPolarHBondContact CA-OG1 3.29Å; M54-T57 PolarHBondContact O-N 2.96Å; M54-T57 PolarHBondContact O-OG1 3.01Å; M54-Y58 HydrophobicContact CB-CD2 4.42Å; M54-Y58 HydrophobicContact CB-CE2 4.05Å; M54-Y58 HydrophobicContact CE-CE2 4.17Å; M54-Y58 WeakPolarHBondContact CE-OH 2.88Å; M54-Y58 HydrophobicContact CG-CD2 3.93Å; M54-Y58 HydrophobicContact CG-CE2 3.16Å; M54-Y58 WeakPolarHBondContact O-CD2 3.35Å; M54-Y58 VanDerWaalsContact O-CG 3.29Å; M54-Y58 PolarHBondContact O-N 2.95Å |
| 55 | S | 72.3 | Confident | 71.9 | Confident | 63 Ų | 63 | 108.5 Ų | 108.5 | 44% | 0.441 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.8 | -43.2 | -179.1 | -175.1 | 0 | 0 | 0 | 0 | 111.8 | D52 T57 Y58 I59 | D52-S55 PolarHBondContact O-N 2.92Å; S55-T57 PolarHBondContact O-N 3.01Å; S55-Y58 PolarHBondContact O-N 2.81Å; S55-I59 WeakPolarHBondContact O-CG1 3.38Å; S55-I59 PolarHBondContact O-N 2.87Å |
| 56 | G | 78.4 | Confident | 74 | Confident | 39 Ų | 39 | 105.2 Ų | 105.2 | 40% | 0.402 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.8 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D52 M54 I59 M60 | D52-G56 PolarHBondContact O-N 3.32Å; M54-G56 PolarHBondContact O-N 3.5Å; G56-I59 PolarHBondContact O-N 3.38Å; G56-M60 WeakPolarHBondContact O-CB 3.29Å; G56-M60 VanDerWaalsContact O-CG 3.29Å; G56-M60 WeakPolarHBondContact O-CG 3.45Å; G56-M60 PolarHBondContact O-N 2.93Å |
| 57 | T | 83.3 | Confident | 76.1 | Confident | 80 Ų | 80 | 102.6 Ų | 102.6 | 49% | 0.491 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.6 | -36.9 | 177.4 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | P53 M54 S55 M60 T61 | P53-T57 WeakPolarHBondContact O-CB 3.33Å; P53-T57 VanDerWaalsContact O-CG2 3.29Å; P53-T57 WeakPolarHBondContact O-CG2 3.48Å; P53-T57 PolarHBondContact O-N 3.34Å; P53-T57 VanDerWaalsContact O-N 3.11Å; P53-T57 PolarHBondContact O-OG1 3.35Å; M54-T57 WeakPolarHBondContact CA-OG1 3.29Å; M54-T57 PolarHBondContact O-N 2.96Å; M54-T57 PolarHBondContact O-OG1 3.01Å; S55-T57 PolarHBondContact O-N 3.01Å; T57-M60 PolarHBondContact O-N 3.47Å; T57-T61 WeakPolarHBondContact O-CB 3.32Å; T57-T61 VanDerWaalsContact O-CG2 3.26Å; T57-T61 WeakPolarHBondContact O-CG2 3.3Å; T57-T61 PolarHBondContact O-N 3.33Å; T57-T61 PolarHBondContact O-OG1 3.47Å |
| 58 | Y | 85.3 | Confident | 77.9 | Confident | 139 Ų | 139 | 102.2 Ų | 102.2 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.1 | -43.6 | 173.5 | -70 | -52.4 | 0 | 0 | 0 | 112.8 | M54 S55 T61 F62 | M54-Y58 HydrophobicContact CB-CD2 4.42Å; M54-Y58 HydrophobicContact CB-CE2 4.05Å; M54-Y58 HydrophobicContact CE-CE2 4.17Å; M54-Y58 WeakPolarHBondContact CE-OH 2.88Å; M54-Y58 HydrophobicContact CG-CD2 3.93Å; M54-Y58 HydrophobicContact CG-CE2 3.16Å; M54-Y58 WeakPolarHBondContact O-CD2 3.35Å; M54-Y58 VanDerWaalsContact O-CG 3.29Å; M54-Y58 PolarHBondContact O-N 2.95Å; S55-Y58 PolarHBondContact O-N 2.81Å; Y58-T61 WeakPolarHBondContact CA-OG1 3.5Å; Y58-T61 PolarHBondContact O-N 2.95Å; Y58-T61 PolarHBondContact O-OG1 3.48Å; Y58-F62 VanDerWaalsContact O-CB 3.32Å; Y58-F62 WeakPolarHBondContact O-CB 3.26Å; Y58-F62 PolarHBondContact O-N 3.46Å |
| 59 | I | 87.9 | Confident | 79.9 | Confident | 102 Ų | 102 | 100.5 Ų | 100.5 | 52% | 0.523 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64 | -45.6 | 177.5 | -65.6 | 166.6 | 0 | 0 | 0 | 110.3 | S55 G56 T61 F62 V63 | S55-I59 WeakPolarHBondContact O-CG1 3.38Å; S55-I59 PolarHBondContact O-N 2.87Å; G56-I59 PolarHBondContact O-N 3.38Å; I59-T61 PolarHBondContact O-N 2.93Å; I59-F62 PolarHBondContact O-N 2.92Å; I59-V63 HydrophobicContact CG2-CG2 4.45Å; I59-V63 VanDerWaalsContact O-CG2 3.3Å; I59-V63 WeakPolarHBondContact O-CG2 3.33Å; I59-V63 PolarHBondContact O-N 2.94Å |
| 60 | M | 87.4 | Confident | 81.8 | Confident | 137 Ų | 137 | 97.6 Ų | 97.6 | 68% | 0.675 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.2 | -40.4 | 179.1 | -71.3 | -63.7 | -72.1 | 0 | 0 | 112.7 | G56 T57 V63 A64 | G56-M60 WeakPolarHBondContact O-CB 3.29Å; G56-M60 VanDerWaalsContact O-CG 3.29Å; G56-M60 WeakPolarHBondContact O-CG 3.45Å; G56-M60 PolarHBondContact O-N 2.93Å; T57-M60 PolarHBondContact O-N 3.47Å; M60-V63 PolarHBondContact O-N 2.87Å; M60-A64 WeakPolarHBondContact O-CB 3.42Å; M60-A64 PolarHBondContact O-N 2.9Å |
| 61 | T | 90.2 | Very high | 83.4 | Confident | 80 Ų | 80 | 94.8 Ų | 94.8 | 49% | 0.491 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.2 | -39.5 | 176.1 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | T57 Y58 I59 A64 M65 | T57-T61 WeakPolarHBondContact O-CB 3.32Å; T57-T61 VanDerWaalsContact O-CG2 3.26Å; T57-T61 WeakPolarHBondContact O-CG2 3.3Å; T57-T61 PolarHBondContact O-N 3.33Å; T57-T61 PolarHBondContact O-OG1 3.47Å; Y58-T61 WeakPolarHBondContact CA-OG1 3.5Å; Y58-T61 PolarHBondContact O-N 2.95Å; Y58-T61 PolarHBondContact O-OG1 3.48Å; I59-T61 PolarHBondContact O-N 2.93Å; T61-A64 PolarHBondContact O-N 3.3Å; T61-M65 WeakPolarHBondContact O-CG 3.35Å; T61-M65 PolarHBondContact O-N 3.24Å |
| 62 | F | 92.6 | Very high | 84.8 | Confident | 133 Ų | 133 | 92.4 Ų | 92.4 | 58% | 0.583 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.4 | -45.6 | 174.4 | -177.5 | -104.4 | 0 | 0 | 0 | 112.1 | Y58 I59 A64 M65 L66 | Y58-F62 VanDerWaalsContact O-CB 3.32Å; Y58-F62 WeakPolarHBondContact O-CB 3.26Å; Y58-F62 PolarHBondContact O-N 3.46Å; I59-F62 PolarHBondContact O-N 2.92Å; F62-A64 PolarHBondContact O-N 3.04Å; F62-M65 PolarHBondContact O-N 2.89Å; F62-L66 HydrophobicContact CD1-CD1 3.99Å; F62-L66 HydrophobicContact CE1-CD1 3.46Å; F62-L66 VanDerWaalsContact CE1-CD1 3.46Å; F62-L66 HydrophobicContact CE1-CG 4.24Å; F62-L66 HydrophobicContact CZ-CD1 3.85Å; F62-L66 HydrophobicContact CZ-CG 4.3Å; F62-L66 PolarHBondContact O-N 3.27Å |
| 63 | V | 93.4 | Very high | 85.8 | Confident | 82 Ų | 82 | 92.4 Ų | 92.4 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 176.3 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | I59 M60 L66 A67 | I59-V63 HydrophobicContact CG2-CG2 4.45Å; I59-V63 VanDerWaalsContact O-CG2 3.3Å; I59-V63 WeakPolarHBondContact O-CG2 3.33Å; I59-V63 PolarHBondContact O-N 2.94Å; M60-V63 PolarHBondContact O-N 2.87Å; V63-L66 PolarHBondContact O-N 3.34Å; V63-A67 WeakPolarHBondContact O-CB 3.43Å; V63-A67 PolarHBondContact O-N 3.11Å |
| 64 | A | 93.5 | Very high | 86.6 | Confident | 55 Ų | 55 | 96.4 Ų | 96.4 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M60 T61 F62 A67 V68 | M60-A64 WeakPolarHBondContact O-CB 3.42Å; M60-A64 PolarHBondContact O-N 2.9Å; T61-A64 PolarHBondContact O-N 3.3Å; F62-A64 PolarHBondContact O-N 3.04Å; A64-A67 PolarHBondContact O-N 3.43Å; A64-V68 WeakPolarHBondContact O-CG2 3.25Å; A64-V68 PolarHBondContact O-N 3.46Å |
| 65 | M | 93.1 | Very high | 86.9 | Confident | 140 Ų | 140 | 93.7 Ų | 93.7 | 69% | 0.69 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.6 | -44.5 | 175 | -78 | -67.3 | -143.9 | 0 | 0 | 112.1 | T61 F62 A67 V68 F69 | T61-M65 WeakPolarHBondContact O-CG 3.35Å; T61-M65 PolarHBondContact O-N 3.24Å; F62-M65 PolarHBondContact O-N 2.89Å; M65-A67 VanDerWaalsContact C-N 3.33Å; M65-A67 PolarHBondContact O-N 2.87Å; M65-V68 PolarHBondContact O-N 3.4Å; M65-F69 WeakPolarHBondContact O-CB 3.37Å; M65-F69 PolarHBondContact O-N 2.84Å |
| 66 | L | 93.8 | Very high | 86.5 | Confident | 92 Ų | 92 | 95.8 Ų | 95.8 | 48% | 0.482 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 175.4 | -73.6 | 179.4 | 0 | 0 | 0 | 112.2 | F62 V63 F69 A70 | F62-L66 HydrophobicContact CD1-CD1 3.99Å; F62-L66 HydrophobicContact CE1-CD1 3.46Å; F62-L66 VanDerWaalsContact CE1-CD1 3.46Å; F62-L66 HydrophobicContact CE1-CG 4.24Å; F62-L66 HydrophobicContact CZ-CD1 3.85Å; F62-L66 HydrophobicContact CZ-CG 4.3Å; F62-L66 PolarHBondContact O-N 3.27Å; V63-L66 PolarHBondContact O-N 3.34Å; L66-F69 PolarHBondContact O-N 3.43Å; L66-A70 WeakPolarHBondContact O-CB 3.42Å; L66-A70 PolarHBondContact O-N 3.28Å |
| 67 | A | 92.6 | Very high | 85.5 | Confident | 57 Ų | 57 | 97.2 Ų | 97.2 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V63 A64 M65 A70 A71 | V63-A67 WeakPolarHBondContact O-CB 3.43Å; V63-A67 PolarHBondContact O-N 3.11Å; A64-A67 PolarHBondContact O-N 3.43Å; M65-A67 VanDerWaalsContact C-N 3.33Å; M65-A67 PolarHBondContact O-N 2.87Å; A67-A70 PolarHBondContact O-N 3.4Å; A67-A71 WeakPolarHBondContact O-CB 2.95Å; A67-A71 PolarHBondContact O-N 2.87Å |
| 68 | V | 92 | Very high | 84.3 | Confident | 92 Ų | 92 | 104.7 Ų | 104.7 | 56% | 0.558 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.5 | -44.7 | 174.7 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | A64 M65 A70 A71 V72 | A64-V68 WeakPolarHBondContact O-CG2 3.25Å; A64-V68 PolarHBondContact O-N 3.46Å; M65-V68 PolarHBondContact O-N 3.4Å; V68-A70 PolarHBondContact O-N 3.02Å; V68-A71 PolarHBondContact O-N 3.32Å; V68-V72 HydrophobicContact CG1-CG2 4.39Å; V68-V72 WeakPolarHBondContact O-CB 3.39Å; V68-V72 VanDerWaalsContact O-CG2 3.31Å; V68-V72 WeakPolarHBondContact O-CG2 3.05Å; V68-V72 PolarHBondContact O-N 2.73Å |
| 69 | F | 92.1 | Very high | 82.9 | Confident | 132 Ų | 132 | 106.6 Ų | 106.6 | 58% | 0.579 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.2 | -43.8 | 178 | -172.9 | -105.9 | 0 | 0 | 0 | 111.9 | M65 L66 V72 L73 | M65-F69 WeakPolarHBondContact O-CB 3.37Å; M65-F69 PolarHBondContact O-N 2.84Å; L66-F69 PolarHBondContact O-N 3.43Å; F69-V72 PolarHBondContact O-N 3.01Å; F69-L73 HydrophobicContact CD1-CD1 3.77Å; F69-L73 HydrophobicContact CD1-CG 4.33Å; F69-L73 HydrophobicContact CE1-CD1 3.3Å; F69-L73 HydrophobicContact CE1-CG 4.06Å; F69-L73 HydrophobicContact CZ-CD1 3.79Å; F69-L73 HydrophobicContact CZ-CD2 4.42Å; F69-L73 HydrophobicContact CZ-CG 4.2Å; F69-L73 WeakPolarHBondContact O-CG 2.99Å; F69-L73 PolarHBondContact O-N 3.47Å |
| 70 | A | 89.2 | Confident | 81.3 | Confident | 53 Ų | 53 | 113.6 Ų | 113.6 | 44% | 0.438 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.3 | -43.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | L66 A67 V68 V72 L73 F74 | L66-A70 WeakPolarHBondContact O-CB 3.42Å; L66-A70 PolarHBondContact O-N 3.28Å; A67-A70 PolarHBondContact O-N 3.4Å; V68-A70 PolarHBondContact O-N 3.02Å; A70-V72 VanDerWaalsContact C-N 3.3Å; A70-V72 PolarHBondContact O-N 2.93Å; A70-L73 PolarHBondContact O-N 3.33Å; A70-F74 VanDerWaalsContact O-CB 3.25Å; A70-F74 WeakPolarHBondContact O-CB 3.38Å; A70-F74 PolarHBondContact O-N 2.95Å |
| 71 | A | 88.5 | Confident | 79.7 | Confident | 63 Ų | 63 | 112 Ų | 112 | 52% | 0.521 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.5 | -37.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | A67 V68 G75 | A67-A71 WeakPolarHBondContact O-CB 2.95Å; A67-A71 PolarHBondContact O-N 2.87Å; V68-A71 PolarHBondContact O-N 3.32Å; A71-G75 WeakPolarHBondContact O-CA 3.49Å; A71-G75 PolarHBondContact O-N 3.43Å |
| 72 | V | 86.7 | Confident | 77.9 | Confident | 70 Ų | 70 | 113.3 Ų | 113.3 | 42% | 0.424 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.5 | -46.9 | 174 | 170.3 | 0 | 0 | 0 | 0 | 110.3 | V68 F69 A70 F74 L76 | V68-V72 HydrophobicContact CG1-CG2 4.39Å; V68-V72 WeakPolarHBondContact O-CB 3.39Å; V68-V72 VanDerWaalsContact O-CG2 3.31Å; V68-V72 WeakPolarHBondContact O-CG2 3.05Å; V68-V72 PolarHBondContact O-N 2.73Å; F69-V72 PolarHBondContact O-N 3.01Å; A70-V72 VanDerWaalsContact C-N 3.3Å; A70-V72 PolarHBondContact O-N 2.93Å; V72-F74 PolarHBondContact O-N 2.75Å; V72-L76 HydrophobicContact CG1-CD1 3.34Å; V72-L76 HydrophobicContact CG1-CG 3.96Å; V72-L76 WeakPolarHBondContact O-CA 3.37Å; V72-L76 WeakPolarHBondContact O-CB 3.1Å; V72-L76 VanDerWaalsContact O-CD1 3.26Å; V72-L76 WeakPolarHBondContact O-CD1 3.26Å; V72-L76 WeakPolarHBondContact O-CG 3.19Å; V72-L76 PolarHBondContact O-N 2.85Å |
| 73 | L | 83.8 | Confident | 75.8 | Confident | 107 Ų | 107 | 114.3 Ų | 114.3 | 56% | 0.56 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.3 | -35 | 179.3 | -71.8 | -178.6 | 0 | 0 | 0 | 113.7 | F69 A70 | F69-L73 HydrophobicContact CD1-CD1 3.77Å; F69-L73 HydrophobicContact CD1-CG 4.33Å; F69-L73 HydrophobicContact CE1-CD1 3.3Å; F69-L73 HydrophobicContact CE1-CG 4.06Å; F69-L73 HydrophobicContact CZ-CD1 3.79Å; F69-L73 HydrophobicContact CZ-CD2 4.42Å; F69-L73 HydrophobicContact CZ-CG 4.2Å; F69-L73 WeakPolarHBondContact O-CG 2.99Å; F69-L73 PolarHBondContact O-N 3.47Å; A70-L73 PolarHBondContact O-N 3.33Å |
| 74 | F | 79.1 | Confident | 73.7 | Confident | 195 Ų | 195 | 113.8 Ų | 113.8 | 86% | 0.855 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -88.7 | -30.2 | -177.7 | -144.5 | -90.8 | 0 | 0 | 0 | 112.4 | A70 V72 | A70-F74 VanDerWaalsContact O-CB 3.25Å; A70-F74 WeakPolarHBondContact O-CB 3.38Å; A70-F74 PolarHBondContact O-N 2.95Å; V72-F74 PolarHBondContact O-N 2.75Å |
| 75 | G | 71 | Confident | 71.7 | Confident | 57 Ų | 57 | 119.7 Ų | 119.7 | 59% | 0.588 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -93.9 | -20.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | A71 P77 | A71-G75 WeakPolarHBondContact O-CA 3.49Å; A71-G75 PolarHBondContact O-N 3.43Å; G75-P77 WeakPolarHBondContact O-CD 3.31Å |
| 76 | L | 63.1 | Low | 69.9 | Low | 107 Ų | 107 | 119.1 Ų | 119.1 | 56% | 0.56 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -64.4 | 104.1 | 158.4 | -80.4 | 161.7 | 0 | 0 | 0 | 104.7 | V72 R78 | V72-L76 HydrophobicContact CG1-CD1 3.34Å; V72-L76 HydrophobicContact CG1-CG 3.96Å; V72-L76 WeakPolarHBondContact O-CA 3.37Å; V72-L76 WeakPolarHBondContact O-CB 3.1Å; V72-L76 VanDerWaalsContact O-CD1 3.26Å; V72-L76 WeakPolarHBondContact O-CD1 3.26Å; V72-L76 WeakPolarHBondContact O-CG 3.19Å; V72-L76 PolarHBondContact O-N 2.85Å; L76-R78 PolarHBondContact O-N 3.27Å |
| 77 | P | 58 | Low | 67.8 | Low | 68 Ų | 68 | 123.2 Ų | 123.2 | 44% | 0.442 | 66% | 0.663 | S | S | . | * | trans | -65.2 | 145.5 | -169.2 | 28.4 | -33.5 | 0 | 0 | 0 | 108.4 | G75 F79 | G75-P77 WeakPolarHBondContact O-CD 3.31Å; P77-F79 HydrophobicContact CB-CB 4.01Å; P77-F79 HydrophobicContact CB-CD1 4.35Å; P77-F79 HydrophobicContact CB-CD2 2.95Å; P77-F79 HydrophobicContact CB-CE2 3.19Å; P77-F79 HydrophobicContact CB-CG 3.52Å; P77-F79 HydrophobicContact CB-CZ 4.05Å; P77-F79 HydrophobicContact CG-CB 4Å; P77-F79 HydrophobicContact CG-CD2 3.19Å; P77-F79 HydrophobicContact CG-CE2 3.81Å; P77-F79 HydrophobicContact CG-CG 3.89Å; P77-F79 PolarHBondContact O-N 3.32Å | ||
| 78 | R | 57.7 | Low | 65.6 | Low | 238 Ų | 238 | 127.5 Ų | 127.5 | 90% | 0.898 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -56.9 | 20.2 | 164.6 | -62.9 | -158.3 | -176.3 | 173.8 | 1.8 | 114 | L76 R80 | L76-R78 PolarHBondContact O-N 3.27Å; R78-R80 VanDerWaalsContact C-N 3.3Å; R78-R80 PolarHBondContact O-N 2.68Å |
| 79 | F | 54.8 | Low | 63.6 | Low | 178 Ų | 178 | 127.4 Ų | 127.4 | 78% | 0.781 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 12.6 | -177.3 | -62.8 | -37.7 | 0 | 0 | 0 | 114.9 | P77 | P77-F79 HydrophobicContact CB-CB 4.01Å; P77-F79 HydrophobicContact CB-CD1 4.35Å; P77-F79 HydrophobicContact CB-CD2 2.95Å; P77-F79 HydrophobicContact CB-CE2 3.19Å; P77-F79 HydrophobicContact CB-CG 3.52Å; P77-F79 HydrophobicContact CB-CZ 4.05Å; P77-F79 HydrophobicContact CG-CB 4Å; P77-F79 HydrophobicContact CG-CD2 3.19Å; P77-F79 HydrophobicContact CG-CE2 3.81Å; P77-F79 HydrophobicContact CG-CG 3.89Å; P77-F79 PolarHBondContact O-N 3.32Å |
| 80 | R | 55.5 | Low | 61.8 | Low | 250 Ų | 250 | 131.2 Ų | 131.2 | 94% | 0.943 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -2.3 | 165.1 | -78 | -171.7 | 174.4 | 170.9 | -0.3 | 114.2 | R78 | R78-R80 VanDerWaalsContact C-N 3.3Å; R78-R80 PolarHBondContact O-N 2.68Å |
| 81 | S | 53.9 | Low | 59.9 | Low | 102 Ų | 102 | 135.3 Ų | 135.3 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | trans | -138.7 | 31 | -175.6 | -60.8 | 0 | 0 | 0 | 0 | 115.5 | D83 | S81-D83 PolarHBondContact O-N 3.38Š| ||
| 82 | S | 51 | Low | 57.7 | Low | 109 Ų | 109 | 135.9 Ų | 135.9 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | trans | -81.9 | 95.9 | 153.1 | -166.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 83 | D | 48.7 | Very low | 55.9 | Low | 153 Ų | 153 | 137.9 Ų | 137.9 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -20.4 | 131.5 | 136.7 | -84 | -81.6 | 0 | 0 | 0 | 112.6 | S81 | S81-D83 PolarHBondContact O-N 3.38Š| ||
| 84 | G | 50.4 | Low | 54.4 | Low | 71 Ų | 71 | 139.8 Ų | 139.8 | 73% | 0.732 | 74% | 0.739 | S | S | * | * | trans | 144.7 | 45.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 85 | K | 50.8 | Low | 53.1 | Low | 180 Ų | 180 | 141.8 Ų | 141.8 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | trans | 37.8 | 105.7 | 136 | -163.7 | 158.7 | -175.4 | 175.1 | 0 | 117.9 | R87 | K85-R87 VanDerWaalsContact C-N 3.29Å; K85-R87 PolarHBondContact O-N 3.06Å | ||
| 86 | P | 54.5 | Low | 52.4 | Low | 128 Ų | 128 | 145.8 Ų | 145.8 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | trans | -71.9 | 98.2 | 141.2 | 30 | -25.6 | 0 | 0 | 0 | 106.7 | N88 | P86-N88 PolarHBondContact O-N 3.31Š| ||
| 87 | R | 49.4 | Very low | 51.9 | Low | 177 Ų | 177 | 146.1 Ų | 146.1 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | trans | 3.7 | 109.9 | 146.8 | -123.9 | 168.8 | 146.6 | 170.4 | -3.6 | 113 | K85 N89 | K85-R87 VanDerWaalsContact C-N 3.29Å; K85-R87 PolarHBondContact O-N 3.06Å; R87-N89 WeakPolarHBondContact CD-OD1 3.2Å; R87-N89 WeakPolarHBondContact CG-OD1 3.22Å; R87-N89 PolarHBondContact NE-OD1 2.99Å; R87-N89 PolarHBondContact O-N 2.91Å | ||
| 88 | N | 48.3 | Very low | 51.8 | Low | 148 Ų | 148 | 148 Ų | 148 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -58.1 | 79.2 | 150.2 | -78.2 | -9.7 | 0 | 0 | 0 | 107.1 | P86 F90 | P86-N88 PolarHBondContact O-N 3.31Å; N88-F90 PolarHBondContact O-N 2.72Å | ||
| 89 | N | 49.2 | Very low | 51.7 | Low | 89 Ų | 89 | 141.9 Ų | 141.9 | 48% | 0.476 | 77% | 0.77 | S | S | . | * | trans | -81.1 | 71.7 | 168 | -88.3 | -1.3 | 0 | 0 | 0 | 107.3 | R87 Q91 | R87-N89 WeakPolarHBondContact CD-OD1 3.2Å; R87-N89 WeakPolarHBondContact CG-OD1 3.22Å; R87-N89 PolarHBondContact NE-OD1 2.99Å; R87-N89 PolarHBondContact O-N 2.91Å; N89-Q91 HydrophobicContact CB-CB 4.27Å; N89-Q91 PolarHBondContact O-N 2.86Å | ||
| 90 | F | 53.6 | Low | 51.7 | Low | 212 Ų | 212 | 140.9 Ų | 140.9 | 93% | 0.93 | 77% | 0.771 | S | S | * | * | trans | -57.4 | 73.9 | 140.6 | -113.4 | -95 | 0 | 0 | 0 | 106.9 | N88 | N88-F90 PolarHBondContact O-N 2.72Š| ||
| 91 | Q | 50.5 | Low | 51.6 | Low | 139 Ų | 139 | 138.1 Ų | 138.1 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | trans | -144 | 88 | 177.7 | -150 | 111.9 | 71.7 | 0 | 0 | 105.8 | N89 | N89-Q91 HydrophobicContact CB-CB 4.27Å; N89-Q91 PolarHBondContact O-N 2.86Å | ||
| 92 | G | 42 | Very low | 51.5 | Low | 76 Ų | 76 | 140 Ų | 140 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -59.4 | 152.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 93 | P | 49.6 | Very low | 51.5 | Low | 112 Ų | 112 | 141.6 Ų | 141.6 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -108.5 | 124.7 | 136.5 | 9.4 | 9.3 | 0 | 0 | 0 | 107.2 | R95 | P93-R95 PolarHBondContact O-N 2.85Š| ||
| 94 | N | 51.4 | Low | 51.7 | Low | 147 Ų | 147 | 140.9 Ų | 140.9 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -29.8 | 99.6 | 159.3 | -64.6 | -52 | 0 | 0 | 0 | 111 | ||||
| 95 | R | 51.7 | Low | 51.7 | Low | 237 Ų | 237 | 145.1 Ų | 145.1 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | trans | -95.7 | 84.2 | 157.8 | -82.8 | -167.9 | 171.3 | -172.8 | -1.6 | 105.3 | P93 P97 | P93-R95 PolarHBondContact O-N 2.85Å; R95-P97 WeakPolarHBondContact O-CD 3.22Å | ||
| 96 | D | 56.1 | Low | 51.8 | Low | 141 Ų | 141 | 142.9 Ų | 142.9 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | -54.5 | 127.2 | 166.3 | -58.6 | -61 | 0 | 0 | 0 | 109 | ||||
| 97 | P | 53.5 | Low | 51.6 | Low | 113 Ų | 113 | 143.9 Ų | 143.9 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | -138.7 | 136.5 | 117.1 | 35.8 | -23.2 | 0 | 0 | 0 | 109.4 | R95 | R95-P97 WeakPolarHBondContact O-CD 3.22Š| |||
| 98 | P | 55.5 | Low | 51.8 | Low | 107 Ų | 107 | 141.5 Ų | 141.5 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | -149.4 | 140.9 | 70 | 34.2 | -13.7 | 0 | 0 | 0 | 114.2 | I100 | P98-I100 HydrophobicContact CB-CG2 4.3Å; P98-I100 HydrophobicContact CG-CG2 4.46Å; P98-I100 PolarHBondContact O-N 3.29Å | |||
| 99 | A | 54.8 | Low | 52 | Low | 110 Ų | 110 | 141 Ų | 141 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -80.4 | 101 | 155.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 100 | I | 55.8 | Low | 52.3 | Low | 158 Ų | 158 | 145.3 Ų | 145.3 | 81% | 0.81 | 84% | 0.835 | S | S | * | * | trans | -90.7 | 118.7 | 158.8 | 61.9 | 176.2 | 0 | 0 | 0 | 106.8 | P98 | P98-I100 HydrophobicContact CB-CG2 4.3Å; P98-I100 HydrophobicContact CG-CG2 4.46Å; P98-I100 PolarHBondContact O-N 3.29Å | ||
| 101 | S | 52.8 | Low | 52.2 | Low | 192 Ų | 192 | 139.3 Ų | 139.3 | 100% | 1.343 | 83% | 0.826 | S | S | * | * | trans | -106 | 0 | 157.2 | 59.3 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 101 of 101 residues in 20.7 ms
(Link to these results)