| 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 | 34.9 | Very low | 43.6 | Very low | 235 Ų | 235 | 139.5 Ų | 139.5 | 100% | 1.158 | 82% | 0.819 | S | S | * | * | 0 | 121.2 | 0 | -75.3 | 177.4 | 166.3 | 0 | 0 | 107.1 | |||||
| 2 | L | 35 | Very low | 44 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | 34.5 | 125.9 | 148.2 | -61.9 | 152.5 | 0 | 0 | 0 | 117.1 | ||||
| 3 | L | 34.8 | Very low | 44.6 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | -177.2 | 140.2 | 55.6 | -152 | 76.1 | 0 | 0 | 0 | 108.7 | |||||
| 4 | S | 34.4 | Very low | 45 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | -79.4 | -174.1 | 161.9 | -52.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 5 | P | 50.1 | Low | 45.3 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | -126 | 174.2 | -55.8 | 32.5 | -14.9 | 0 | 0 | 0 | 110.8 | |||||
| 6 | S | 42.2 | Very low | 45.7 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -145.5 | 110.9 | 153.9 | -78.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 7 | C | 43.8 | Very low | 45.9 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | -76.7 | 121.6 | -174.4 | -163.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 8 | S | 48.1 | Very low | 46 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -131.2 | 89.2 | 168.1 | -31 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 9 | L | 52.3 | Low | 46.1 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | -76.7 | 140.9 | 171.1 | -79.7 | 154.4 | 0 | 0 | 0 | 109.4 | ||||
| 10 | P | 48.7 | Very low | 46.6 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -72.2 | 130.5 | 174.3 | 30.4 | -31.2 | 0 | 0 | 0 | 109.5 | L12 | P10-L12 PolarHBondContact O-N 3.05Š| ||
| 11 | I | 55 | Low | 46.8 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -70.4 | 100.6 | 176.2 | -62.8 | 166.4 | 0 | 0 | 0 | 107.6 | L13 | I11-L13 HydrophobicContact CG2-CD1 4.21Å; I11-L13 PolarHBondContact O-N 3.19Å | ||
| 12 | L | 48.4 | Very low | 47.4 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | trans | -75.2 | 99.1 | 167.9 | -163.5 | 81.2 | 0 | 0 | 0 | 107.7 | P10 L14 | P10-L12 PolarHBondContact O-N 3.05Å; L12-L14 PolarHBondContact O-N 3.13Å | ||
| 13 | L | 52.5 | Low | 48.2 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | trans | -71.6 | 90.6 | 176.1 | -133 | 114.1 | 0 | 0 | 0 | 109 | I11 F15 | I11-L13 HydrophobicContact CG2-CD1 4.21Å; I11-L13 PolarHBondContact O-N 3.19Å; L13-F15 HydrophobicContact CD2-CD2 4.3Å; L13-F15 HydrophobicContact CD2-CE2 3.87Å; L13-F15 HydrophobicContact CD2-CZ 4.14Å; L13-F15 PolarHBondContact O-N 2.97Å; L13-F15 VanDerWaalsContact O-N 3.13Å | ||
| 14 | L | 49.8 | Very low | 48.8 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -67.9 | 102 | 166.1 | -87.7 | 149.2 | 0 | 0 | 0 | 108.2 | L12 L16 | L12-L14 PolarHBondContact O-N 3.13Å; L14-L16 VanDerWaalsContact C-N 3.28Å; L14-L16 PolarHBondContact O-N 2.92Å | ||
| 15 | F | 48.8 | Very low | 49.6 | Very low | 178 Ų | 178 | 137.9 Ų | 137.9 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | -65.7 | 90.3 | 163.8 | -85.3 | -87.9 | 0 | 0 | 0 | 108.7 | L13 L17 | L13-F15 HydrophobicContact CD2-CD2 4.3Å; L13-F15 HydrophobicContact CD2-CE2 3.87Å; L13-F15 HydrophobicContact CD2-CZ 4.14Å; L13-F15 PolarHBondContact O-N 2.97Å; L13-F15 VanDerWaalsContact O-N 3.13Å; F15-L17 VanDerWaalsContact C-N 3.29Å; F15-L17 PolarHBondContact O-N 3.05Å | ||
| 16 | L | 51.8 | Low | 49.7 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | -71.3 | 90.3 | 161.5 | -75.5 | 160.1 | 0 | 0 | 0 | 107.5 | L14 | L14-L16 VanDerWaalsContact C-N 3.28Å; L14-L16 PolarHBondContact O-N 2.92Å | ||
| 17 | L | 50.1 | Low | 50.5 | Low | 146 Ų | 146 | 136.9 Ų | 136.9 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | -60.9 | 123.9 | 161.9 | -80.9 | 150.3 | 0 | 0 | 0 | 107.3 | F15 S19 | F15-L17 VanDerWaalsContact C-N 3.29Å; F15-L17 PolarHBondContact O-N 3.05Å; L17-S19 PolarHBondContact O-N 2.9Å | ||
| 18 | P | 46.4 | Very low | 51.1 | Low | 110 Ų | 110 | 137.6 Ų | 137.6 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | trans | -63 | 115.9 | 172.1 | 24.6 | -29.7 | 0 | 0 | 0 | 107.8 | V20 | P18-V20 PolarHBondContact O-N 3.06Š| ||
| 19 | S | 49.7 | Very low | 51.3 | Low | 117 Ų | 117 | 139.4 Ų | 139.4 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -57.7 | 101.3 | 169.8 | -52.6 | 0 | 0 | 0 | 0 | 108 | L17 P21 | L17-S19 PolarHBondContact O-N 2.9Å; S19-P21 WeakPolarHBondContact O-CD 3.37Å | ||
| 20 | V | 54.3 | Low | 51.5 | Low | 127 Ų | 127 | 137.9 Ų | 137.9 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | -61.4 | 121.8 | 172.3 | -176.5 | 0 | 0 | 0 | 0 | 106.5 | P18 M22 | P18-V20 PolarHBondContact O-N 3.06Å; V20-M22 PolarHBondContact O-N 3.08Å; V20-M22 VanDerWaalsContact O-N 3.08Å | ||
| 21 | P | 51.4 | Low | 52 | Low | 116 Ų | 116 | 139 Ų | 139 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | -61.3 | 118.1 | 173.3 | -15.4 | 28.5 | 0 | 0 | 0 | 107.5 | S19 E23 | S19-P21 WeakPolarHBondContact O-CD 3.37Å; P21-E23 VanDerWaalsContact C-N 3.34Å; P21-E23 PolarHBondContact O-N 2.94Å | ||
| 22 | M | 46.7 | Very low | 51.9 | Low | 186 Ų | 186 | 137 Ų | 137 | 92% | 0.916 | 77% | 0.766 | S | S | * | * | trans | -69.5 | 97.2 | 172.8 | -168 | 140.4 | 169 | 0 | 0 | 107.2 | V20 | V20-M22 PolarHBondContact O-N 3.08Å; V20-M22 VanDerWaalsContact O-N 3.08Å | ||
| 23 | E | 53.2 | Low | 51.9 | Low | 173 Ų | 173 | 134.8 Ų | 134.8 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 123.3 | 176.2 | -167.7 | 151.6 | 105.3 | 0 | 0 | 108.5 | P21 H25 | P21-E23 VanDerWaalsContact C-N 3.34Å; P21-E23 PolarHBondContact O-N 2.94Å; E23-H25 PolarHBondContact O-N 3.19Å |
| 24 | P | 47.2 | Very low | 51.7 | Low | 113 Ų | 113 | 135.6 Ų | 135.6 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 124 | 179.4 | 23.2 | -30 | 0 | 0 | 0 | 108.5 | ||
| 25 | H | 51.6 | Low | 51.6 | Low | 177 Ų | 177 | 136.6 Ų | 136.6 | 82% | 0.819 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 125 | 171.6 | -91.1 | 54.4 | 0 | 0 | 0 | 108.7 | E23 | E23-H25 PolarHBondContact O-N 3.19Š|
| 26 | P | 52.1 | Low | 51.6 | Low | 110 Ų | 110 | 132.5 Ų | 132.5 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -61 | 136.9 | 173.9 | 25.1 | -31.2 | 0 | 0 | 0 | 107.8 | ||
| 27 | P | 59.3 | Low | 51.6 | Low | 104 Ų | 104 | 128.9 Ų | 128.9 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 148 | 172.5 | 25.2 | -33.2 | 0 | 0 | 0 | 108.8 | L29 | P27-L29 PolarHBondContact O-N 3.22Š|
| 28 | P | 55 | Low | 51.6 | Low | 125 Ų | 125 | 126.4 Ų | 126.4 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 120 | 176.8 | 21.4 | -30.9 | 0 | 0 | 0 | 108.1 | ||
| 29 | L | 52.6 | Low | 51.3 | Low | 157 Ų | 157 | 130.2 Ų | 130.2 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 127.4 | -179.7 | -75.1 | 159.6 | 0 | 0 | 0 | 108.1 | P27 L31 | P27-L29 PolarHBondContact O-N 3.22Å; L29-L31 PolarHBondContact O-N 2.84Å |
| 30 | P | 56.3 | Low | 51.2 | Low | 112 Ų | 112 | 132.3 Ų | 132.3 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 129.1 | 168 | 23.3 | -29.5 | 0 | 0 | 0 | 106.9 | ||
| 31 | L | 59 | Low | 51 | Low | 141 Ų | 141 | 129.2 Ų | 129.2 | 74% | 0.738 | 72% | 0.715 | S | S | * | * | trans | -42.2 | 129.5 | 171.4 | -72 | 164.4 | 0 | 0 | 0 | 107.8 | L29 P125 | L29-L31 PolarHBondContact O-N 2.84Å; L31-P125 HydrophobicContact CD1-CG 4.44Å | ||
| 32 | P | 53 | Low | 51.5 | Low | 111 Ų | 111 | 128.3 Ų | 128.3 | 72% | 0.721 | 70% | 0.703 | S | S | * | * | trans | -54.9 | 135.1 | -171.5 | 20.8 | -31.3 | 0 | 0 | 0 | 109.1 | F34 | P32-F34 PolarHBondContact O-N 3.37Š| ||
| 33 | P | 48.4 | Very low | 52.8 | Low | 104 Ų | 104 | 120.9 Ų | 120.9 | 68% | 0.675 | 67% | 0.67 | S | S | * | * | trans | -55.9 | 136.4 | 176.2 | 24 | -31.7 | 0 | 0 | 0 | 108 | L35 | P33-L35 PolarHBondContact O-N 3.04Š| ||
| 34 | F | 49.6 | Very low | 54.2 | Low | 143 Ų | 143 | 115.6 Ų | 115.6 | 63% | 0.627 | 65% | 0.65 | S | S | * | * | trans | -52.7 | 102.1 | 175.3 | -72.8 | -86.6 | 0 | 0 | 0 | 108.9 | P32 A36 W190 | P32-F34 PolarHBondContact O-N 3.37Å; F34-A36 PolarHBondContact O-N 2.98Å; F34-W190 HydrophobicContact CE1-CZ2 4.34Å; F34-W190 HydrophobicContact CZ-CZ2 4.38Å | ||
| 35 | L | 46.6 | Very low | 56.3 | Low | 161 Ų | 161 | 111.3 Ų | 111.3 | 84% | 0.843 | 62% | 0.62 | S | S | * | * | trans | -70.4 | 114.6 | 168.2 | -70.6 | 171.1 | 0 | 0 | 0 | 106.5 | P33 | P33-L35 PolarHBondContact O-N 3.04Š| ||
| 36 | A | 49 | Very low | 58.2 | Low | 91 Ų | 91 | 103.6 Ų | 103.6 | 75% | 0.752 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -89.3 | 152.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F34 | F34-A36 PolarHBondContact O-N 2.98Š|
| 37 | P | 52 | Low | 60 | Low | 82 Ų | 82 | 100.6 Ų | 100.6 | 53% | 0.532 | 57% | 0.565 | S | S | . | * | cis | -123.6 | 111.7 | -3.6 | 34.4 | -16.1 | 0 | 0 | 0 | 113.1 | W39 | P37-W39 HydrophobicContact CB-CD2 4.08Å; P37-W39 HydrophobicContact CB-CG 3.86Å; P37-W39 HydrophobicContact CB-CZ2 4.3Å; P37-W39 PolarHBondContact O-N 2.84Å | ||
| 38 | E | 50.5 | Low | 61.4 | Low | 95 Ų | 95 | 98.2 Ų | 98.2 | 44% | 0.444 | 55% | 0.546 | S | S | . | . | trans | -70.8 | 54.9 | 161.4 | 159.4 | 165.4 | 165.6 | 0 | 0 | 110.1 | D40 L41 R178 | E38-D40 PolarHBondContact O-N 2.86Å; E38-L41 HydrophobicContact CB-CD1 4.43Å; E38-L41 VanDerWaalsContact CD-CB 3.43Å; E38-L41 HydrophobicContact CG-CB 3.35Å; E38-L41 HydrophobicContact CG-CD1 3.39Å; E38-L41 HydrophobicContact CG-CG 3.64Å; E38-L41 PolarHBondContact O-N 3.44Å; E38-L41 WeakPolarHBondContact OE1-CB 3.41Å; E38-L41 WeakPolarHBondContact OE1-CD1 3.49Å; E38-L41 WeakPolarHBondContact OE1-CG 3.37Å; E38-L41 WeakPolarHBondContact OE2-CD1 3.43Å; E38-R178 IonicContact OE1-CZ 2.75Å; E38-R178 IonicContact OE1-NH1 3.73Å; E38-R178 PolarHBondContact OE1-NH1 2.68Å; E38-R178 IonicContact OE2-NH1 2.75Å | ||
| 39 | W | 40.7 | Very low | 63 | Low | 190 Ų | 190 | 94.1 Ų | 94.1 | 72% | 0.72 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -63.6 | -26.2 | 175.2 | -63.9 | 126.1 | 0 | 0 | 0 | 111.6 | P37 L41 L42 | P37-W39 HydrophobicContact CB-CD2 4.08Å; P37-W39 HydrophobicContact CB-CG 3.86Å; P37-W39 HydrophobicContact CB-CZ2 4.3Å; P37-W39 PolarHBondContact O-N 2.84Å; W39-L41 VanDerWaalsContact C-N 3.29Å; W39-L41 PolarHBondContact O-N 3.47Å; W39-L42 HydrophobicContact CE3-CD1 3.91Å; W39-L42 HydrophobicContact CZ3-CD1 4.16Å |
| 40 | D | 46.1 | Very low | 64.7 | Low | 161 Ų | 161 | 94.4 Ų | 94.4 | 86% | 0.861 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -74.2 | -11.1 | -177.8 | -67.5 | -35.8 | 0 | 0 | 0 | 115 | E38 | E38-D40 PolarHBondContact O-N 2.86Š|
| 41 | L | 49.8 | Very low | 66.2 | Low | 62 Ų | 62 | 90.8 Ų | 90.8 | 33% | 0.325 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -114.3 | -1.9 | -178.5 | -56.1 | 160.8 | 0 | 0 | 0 | 112.2 | E38 W39 S43 W192 | E38-L41 HydrophobicContact CB-CD1 4.43Å; E38-L41 VanDerWaalsContact CD-CB 3.43Å; E38-L41 HydrophobicContact CG-CB 3.35Å; E38-L41 HydrophobicContact CG-CD1 3.39Å; E38-L41 HydrophobicContact CG-CG 3.64Å; E38-L41 PolarHBondContact O-N 3.44Å; E38-L41 WeakPolarHBondContact OE1-CB 3.41Å; E38-L41 WeakPolarHBondContact OE1-CD1 3.49Å; E38-L41 WeakPolarHBondContact OE1-CG 3.37Å; E38-L41 WeakPolarHBondContact OE2-CD1 3.43Å; W39-L41 VanDerWaalsContact C-N 3.29Å; W39-L41 PolarHBondContact O-N 3.47Å; L41-S43 PolarHBondContact O-N 3.44Å; L41-W192 HydrophobicContact CD2-CH2 4.39Å; L41-W192 HydrophobicContact CD2-CZ2 4.01Å |
| 42 | L | 62.7 | Low | 67.5 | Low | 96 Ų | 96 | 88 Ų | 88 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -84.5 | 91.2 | 167.7 | -69.5 | 167.2 | 0 | 0 | 0 | 108.1 | W39 | W39-L42 HydrophobicContact CE3-CD1 3.91Å; W39-L42 HydrophobicContact CZ3-CD1 4.16Å |
| 43 | S | 74.7 | Confident | 69.1 | Low | 30 Ų | 30 | 84 Ų | 84 | 21% | 0.21 | 46% | 0.457 | C | S | . | . | trans | -52.1 | 131.7 | 167.2 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | L41 R45 V46 V177 | L41-S43 PolarHBondContact O-N 3.44Å; S43-R45 PolarHBondContact O-N 3.19Å; S43-R45 PolarHBondContact OG-N 2.87Å; S43-V46 PolarHBondContact O-N 3.45Å; S43-V177 WeakPolarHBondContact OG-CG1 3.43Å | ||
| 44 | P | 83 | Confident | 70.6 | Confident | 62 Ų | 62 | 82.9 Ų | 82.9 | 40% | 0.403 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -9.1 | 177.3 | 23.9 | -33.7 | 0 | 0 | 0 | 112.6 | P57 L59 | P44-P57 HydrophobicContact CB-CB 4.33Å; P44-P57 WeakPolarHBondContact O-CB 3.32Å; P44-P57 WeakPolarHBondContact O-CG 3.35Å; P44-L59 HydrophobicContact CG-CD2 4.05Å |
| 45 | R | 89.9 | Confident | 72.1 | Confident | 24 Ų | 24 | 77 Ų | 77 | 9% | 0.091 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -1 | 176.2 | -61 | 179.4 | 174.9 | -93.9 | 7.6 | 114.1 | S43 F60 F136 F137 T139 V177 I195 T197 | S43-R45 PolarHBondContact O-N 3.19Å; S43-R45 PolarHBondContact OG-N 2.87Å; R45-F60 HydrophobicContact CG-CE2 4.3Å; R45-F60 HydrophobicContact CG-CZ 4.35Å; R45-F60 VanDerWaalsContact NH2-CZ 3.28Å; R45-F136 CarbonylContact O-C 3.32Å; R45-F136 WeakPolarHBondContact O-CA 3.47Å; R45-F137 HydrophobicContact CB-CB 4.1Å; R45-F137 HydrophobicContact CG-CB 4.37Å; R45-F137 PolarHBondContact NH1-O 2.92Å; R45-F137 PolarHBondContact O-N 2.98Å; R45-T139 PolarHBondContact NH1-OG1 3.22Å; R45-V177 HydrophobicContact CB-CG1 4.44Å; R45-I195 HydrophobicContact CB-CD1 4.04Å; R45-T197 PolarHBondContact NH2-O 3.18Å |
| 46 | V | 91.3 | Very high | 74 | Confident | 15 Ų | 15 | 70.1 Ų | 70.1 | 9% | 0.091 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 128.1 | 176.5 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | S43 Y135 F136 V177 | S43-V46 PolarHBondContact O-N 3.45Å; V46-Y135 WeakPolarHBondContact CA-O 3.29Å; V46-F136 HydrophobicContact CG1-CD1 4.37Å; V46-F136 HydrophobicContact CG1-CE1 4.04Å; V46-F136 HydrophobicContact CG2-CD1 3.84Å; V46-F136 HydrophobicContact CG2-CE1 4Å; V46-V177 HydrophobicContact CG2-CB 3.59Å; V46-V177 HydrophobicContact CG2-CG1 4.16Å; V46-V177 HydrophobicContact CG2-CG2 3.67Å |
| 47 | V | 91 | Very high | 75.7 | Confident | 47 Ų | 47 | 66.6 Ų | 66.6 | 29% | 0.285 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 133.6 | 176.5 | 165.8 | 0 | 0 | 0 | 0 | 109.6 | P53 W103 Y135 | V47-P53 HydrophobicContact CB-CG 4.22Å; V47-P53 HydrophobicContact CG1-CG 3.97Å; V47-W103 HydrophobicContact CB-CH2 4.07Å; V47-W103 HydrophobicContact CB-CZ3 4.11Å; V47-W103 HydrophobicContact CG2-CH2 3.54Å; V47-W103 HydrophobicContact CG2-CZ2 4.41Å; V47-W103 HydrophobicContact CG2-CZ3 4.06Å; V47-Y135 PolarHBondContact N-O 2.75Å; V47-Y135 PolarHBondContact O-N 3.02Å |
| 48 | L | 89.3 | Confident | 77 | Confident | 54 Ų | 54 | 68.4 Ų | 68.4 | 28% | 0.283 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 112.2 | 166.5 | -54.9 | -178.4 | 0 | 0 | 0 | 108.2 | V124 L132 R133 Q134 W190 | L48-V124 HydrophobicContact CD2-CG2 4.01Å; L48-L132 HydrophobicContact CB-CB 4.41Å; L48-L132 HydrophobicContact CB-CD1 4.14Å; L48-R133 WeakPolarHBondContact CA-O 3.37Å; L48-Q134 HydrophobicContact CD2-CB 4.21Å; L48-Q134 HydrophobicContact CD2-CG 3.62Å; L48-W190 HydrophobicContact CD1-CH2 3.92Å |
| 49 | S | 88.6 | Confident | 78.3 | Confident | 38 Ų | 38 | 68.1 Ų | 68.1 | 27% | 0.266 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 159 | -176.7 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | G51 R133 Y135 | S49-G51 WeakPolarHBondContact CB-O 3.46Å; S49-G51 PolarHBondContact OG-N 3.11Å; S49-G51 PolarHBondContact OG-O 2.87Å; S49-R133 PolarHBondContact N-O 3.24Å; S49-R133 PolarHBondContact O-N 2.88Å; S49-Y135 WeakPolarHBondContact O-CE2 3.48Å |
| 50 | R | 87.9 | Confident | 79.8 | Confident | 163 Ų | 163 | 59.6 Ų | 59.6 | 62% | 0.615 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -75.2 | -29.4 | 173.7 | -65.2 | -179.2 | 176 | 125.6 | 1 | 112.6 | S130 L132 | R50-S130 PolarHBondContact NE-OG 2.83Å; R50-S130 PolarHBondContact NH2-OG 2.84Å; R50-L132 HydrophobicContact CG-CD2 3.68Å |
| 51 | G | 86.6 | Confident | 81 | Confident | 37 Ų | 37 | 53.6 Ų | 53.6 | 38% | 0.381 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -126.5 | 157 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S49 Y135 | S49-G51 WeakPolarHBondContact CB-O 3.46Å; S49-G51 PolarHBondContact OG-N 3.11Å; S49-G51 PolarHBondContact OG-O 2.87Å; G51-Y135 VanDerWaalsContact O-CE2 3.27Å; G51-Y135 WeakPolarHBondContact O-CE2 3.45Å |
| 52 | T | 86.3 | Confident | 82 | Confident | 81 Ų | 81 | 55.7 Ų | 55.7 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | trans | -58.1 | 130.4 | 175.6 | -51.2 | 0 | 0 | 0 | 0 | 109.8 | A54 W103 T105 Y135 | T52-A54 PolarHBondContact O-N 2.88Å; T52-W103 HydrophobicContact CG2-CB 4.28Å; T52-T105 HydrophobicContact CG2-CG2 3.74Å; T52-Y135 PolarHBondContact N-OH 2.9Å | ||
| 53 | P | 86.8 | Confident | 82.2 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | trans | -62.3 | 137.3 | 178.3 | -19.7 | 31.4 | 0 | 0 | 0 | 111.5 | V47 G55 W103 Y135 | V47-P53 HydrophobicContact CB-CG 4.22Å; V47-P53 HydrophobicContact CG1-CG 3.97Å; P53-G55 VanDerWaalsContact C-N 3.31Å; P53-G55 PolarHBondContact O-N 3.2Å; P53-W103 HydrophobicContact CB-CD2 4.24Å; P53-W103 HydrophobicContact CB-CZ2 3.82Å; P53-W103 HydrophobicContact CG-CD2 3.93Å; P53-W103 HydrophobicContact CG-CE3 4.21Å; P53-W103 HydrophobicContact CG-CG 4.48Å; P53-W103 HydrophobicContact CG-CH2 4.16Å; P53-W103 HydrophobicContact CG-CZ2 3.88Å; P53-W103 HydrophobicContact CG-CZ3 4.31Å; P53-Y135 HydrophobicContact CG-CD2 4.36Å | ||
| 54 | A | 81 | Confident | 81.5 | Confident | 79 Ų | 79 | 56.4 Ų | 56.4 | 65% | 0.653 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -73.3 | -17.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T52 A71 G72 | T52-A54 PolarHBondContact O-N 2.88Å; A54-A71 HydrophobicContact CB-CB 4.18Å; A54-A71 CarbonylContact O-C 3.3Å; A54-A71 VanDerWaalsContact O-C 3.3Å; A54-A71 WeakPolarHBondContact O-CB 3.47Å; A54-G72 PolarHBondContact O-N 2.97Å |
| 55 | G | 81.2 | Confident | 80.3 | Confident | 20 Ų | 20 | 56.7 Ų | 56.7 | 21% | 0.206 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -149.8 | 169.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | P53 W103 | P53-G55 VanDerWaalsContact C-N 3.31Å; P53-G55 PolarHBondContact O-N 3.2Å; G55-W103 PolarHBondContact O-NE1 3.41Å |
| 56 | P | 84.8 | Confident | 78.7 | Confident | 17 Ų | 17 | 57.7 Ų | 57.7 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -61.2 | 158.6 | 175.9 | 31.5 | -38.6 | 0 | 0 | 0 | 110.9 | L58 F60 L61 A75 F137 | P56-L58 PolarHBondContact O-N 2.81Å; P56-F60 HydrophobicContact CB-CB 4.27Å; P56-L61 HydrophobicContact CG-CD1 4.47Å; P56-L61 HydrophobicContact CG-CD2 3.52Å; P56-L61 HydrophobicContact CG-CG 3.87Å; P56-A75 HydrophobicContact CB-CB 3.66Å; P56-A75 HydrophobicContact CG-CB 3.88Å; P56-F137 HydrophobicContact CB-CE1 4.32Å; P56-F137 HydrophobicContact CB-CE2 3.76Å; P56-F137 HydrophobicContact CB-CZ 3.5Å |
| 57 | P | 86.4 | Confident | 76.7 | Confident | 16 Ų | 16 | 64.6 Ų | 64.6 | 10% | 0.104 | 38% | 0.378 | C | S | . | . | trans | -56.3 | 142.3 | 177.2 | -17.6 | 27.1 | 0 | 0 | 0 | 110.9 | P44 L59 F60 W103 F137 | P44-P57 HydrophobicContact CB-CB 4.33Å; P44-P57 WeakPolarHBondContact O-CB 3.32Å; P44-P57 WeakPolarHBondContact O-CG 3.35Å; P57-L59 PolarHBondContact O-N 2.84Å; P57-L59 VanDerWaalsContact O-N 3.08Å; P57-F60 HydrophobicContact CB-CD2 3.9Å; P57-F60 HydrophobicContact CB-CE2 4.4Å; P57-F60 HydrophobicContact CG-CD2 3.89Å; P57-F60 HydrophobicContact CG-CE2 4.17Å; P57-F60 WeakPolarHBondContact O-CB 3.43Å; P57-F60 PolarHBondContact O-N 2.94Å; P57-W103 HydrophobicContact CG-CH2 3.91Å; P57-W103 HydrophobicContact CG-CZ2 3.81Å; P57-F137 VanDerWaalsContact CD-CG 3.5Å; P57-F137 HydrophobicContact CG-CB 3.99Å; P57-F137 HydrophobicContact CG-CD1 3.91Å; P57-F137 HydrophobicContact CG-CD2 4.32Å; P57-F137 HydrophobicContact CG-CE1 4.5Å; P57-F137 HydrophobicContact CG-CG 3.8Å | ||
| 58 | L | 78.1 | Confident | 74.7 | Confident | 121 Ų | 121 | 66 Ų | 66 | 63% | 0.634 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -51.8 | -40.1 | -172.1 | -66.5 | -179.7 | 0 | 0 | 0 | 113.2 | P56 F60 L61 L62 | P56-L58 PolarHBondContact O-N 2.81Å; L58-F60 PolarHBondContact O-N 2.79Å; L58-F60 VanDerWaalsContact O-N 3.15Å; L58-L61 HydrophobicContact CD2-CD1 4.17Å; L58-L61 WeakPolarHBondContact O-CA 3.4Å; L58-L61 WeakPolarHBondContact O-CB 3.41Å; L58-L61 PolarHBondContact O-N 2.88Å; L58-L62 HydrophobicContact CB-CD1 4.49Å; L58-L62 WeakPolarHBondContact O-CD1 3.33Å; L58-L62 PolarHBondContact O-N 3.25Å |
| 59 | L | 77.6 | Confident | 73 | Confident | 89 Ų | 89 | 69.3 Ų | 69.3 | 47% | 0.466 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -52.5 | -37.8 | 176.3 | -176 | 63.2 | 0 | 0 | 0 | 112.6 | P44 P57 L62 E63 | P44-L59 HydrophobicContact CG-CD2 4.05Å; P57-L59 PolarHBondContact O-N 2.84Å; P57-L59 VanDerWaalsContact O-N 3.08Å; L59-L62 PolarHBondContact O-N 2.87Å; L59-E63 WeakPolarHBondContact O-CG 3.06Å; L59-E63 PolarHBondContact O-N 3.01Å |
| 60 | F | 73.6 | Confident | 71.1 | Confident | 10 Ų | 10 | 72.4 Ų | 72.4 | 4% | 0.044 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -71.2 | -31.5 | 177.8 | -73.1 | -99.9 | 0 | 0 | 0 | 112.8 | R45 P56 P57 L58 A64 R77 F137 | R45-F60 HydrophobicContact CG-CE2 4.3Å; R45-F60 HydrophobicContact CG-CZ 4.35Å; R45-F60 VanDerWaalsContact NH2-CZ 3.28Å; P56-F60 HydrophobicContact CB-CB 4.27Å; P57-F60 HydrophobicContact CB-CD2 3.9Å; P57-F60 HydrophobicContact CB-CE2 4.4Å; P57-F60 HydrophobicContact CG-CD2 3.89Å; P57-F60 HydrophobicContact CG-CE2 4.17Å; P57-F60 WeakPolarHBondContact O-CB 3.43Å; P57-F60 PolarHBondContact O-N 2.94Å; L58-F60 PolarHBondContact O-N 2.79Å; L58-F60 VanDerWaalsContact O-N 3.15Å; F60-A64 VanDerWaalsContact O-CB 3.25Å; F60-A64 WeakPolarHBondContact O-CB 3.2Å; F60-A64 PolarHBondContact O-N 3.16Å; F60-R77 VanDerWaalsContact CE1-NH2 3.35Å; F60-F137 AromaticContact CD1-CE1 3.82Å; F60-F137 HydrophobicContact CD1-CE1 3.82Å; F60-F137 HydrophobicContact CD2-CD1 4.3Å; F60-F137 HydrophobicContact CD2-CE1 4.14Å; F60-F137 HydrophobicContact CE1-CD1 4.3Å; F60-F137 AromaticContact CE1-CE1 3.92Å; F60-F137 HydrophobicContact CE1-CE1 3.92Å; F60-F137 HydrophobicContact CE2-CD1 4.08Å; F60-F137 HydrophobicContact CE2-CE1 4.26Å; F60-F137 AromaticContact CG-CE1 3.96Å; F60-F137 HydrophobicContact CG-CE1 3.96Å; F60-F137 HydrophobicContact CZ-CD1 4.11Å; F60-F137 HydrophobicContact CZ-CE1 4.18Å |
| 61 | L | 71.1 | Confident | 69.2 | Low | 35 Ų | 35 | 68.2 Ų | 68.2 | 18% | 0.183 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -70.5 | -37.5 | 175.1 | -64.4 | 173.3 | 0 | 0 | 0 | 111.1 | P56 L58 A64 G65 T66 | P56-L61 HydrophobicContact CG-CD1 4.47Å; P56-L61 HydrophobicContact CG-CD2 3.52Å; P56-L61 HydrophobicContact CG-CG 3.87Å; L58-L61 HydrophobicContact CD2-CD1 4.17Å; L58-L61 WeakPolarHBondContact O-CA 3.4Å; L58-L61 WeakPolarHBondContact O-CB 3.41Å; L58-L61 PolarHBondContact O-N 2.88Å; L61-A64 PolarHBondContact O-N 2.78Å; L61-G65 PolarHBondContact O-N 3.22Å; L61-G65 VanDerWaalsContact O-N 3.12Å; L61-T66 PolarHBondContact O-N 2.93Å; L61-T66 VanDerWaalsContact O-N 3.08Å |
| 62 | L | 70.7 | Confident | 67.3 | Low | 107 Ų | 107 | 69.5 Ų | 69.5 | 56% | 0.56 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.6 | -46.9 | 174.2 | -82.1 | 78.1 | 0 | 0 | 0 | 111.1 | L58 L59 A64 G65 F67 | L58-L62 HydrophobicContact CB-CD1 4.49Å; L58-L62 WeakPolarHBondContact O-CD1 3.33Å; L58-L62 PolarHBondContact O-N 3.25Å; L59-L62 PolarHBondContact O-N 2.87Å; L62-A64 VanDerWaalsContact C-N 3.26Å; L62-A64 PolarHBondContact O-N 3.4Å; L62-G65 PolarHBondContact O-N 2.72Å; L62-G65 VanDerWaalsContact O-N 3.13Å; L62-F67 HydrophobicContact CD1-CD2 3.96Å; L62-F67 HydrophobicContact CD1-CE2 4.27Å |
| 63 | E | 66.8 | Low | 65.7 | Low | 106 Ų | 106 | 72.6 Ų | 72.6 | 50% | 0.495 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.7 | -37.1 | 175.3 | -75.6 | 179.8 | 172.5 | 0 | 0 | 112.4 | L59 G65 R77 | L59-E63 WeakPolarHBondContact O-CG 3.06Å; L59-E63 PolarHBondContact O-N 3.01Å; E63-G65 VanDerWaalsContact C-N 3.33Å; E63-R77 IonicContact OE2-NE 3Å; E63-R77 IonicContact OE2-NH2 3.87Å; E63-R77 PolarHBondContact OE2-NH2 2.96Å |
| 64 | A | 60.7 | Low | 64.1 | Low | 34 Ų | 34 | 75.1 Ų | 75.1 | 28% | 0.281 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -81.2 | -11.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F60 L61 L62 T66 | F60-A64 VanDerWaalsContact O-CB 3.25Å; F60-A64 WeakPolarHBondContact O-CB 3.2Å; F60-A64 PolarHBondContact O-N 3.16Å; L61-A64 PolarHBondContact O-N 2.78Å; L62-A64 VanDerWaalsContact C-N 3.26Å; L62-A64 PolarHBondContact O-N 3.4Å; A64-T66 HydrophobicContact CB-CG2 3.96Å; A64-T66 PolarHBondContact O-N 3.31Å |
| 65 | G | 56 | Low | 62.9 | Low | 68 Ų | 68 | 72.5 Ų | 72.5 | 70% | 0.701 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 19.5 | -173 | 0 | 0 | 0 | 0 | 0 | 113.7 | L61 L62 E63 | L61-G65 PolarHBondContact O-N 3.22Å; L61-G65 VanDerWaalsContact O-N 3.12Å; L62-G65 PolarHBondContact O-N 2.72Å; L62-G65 VanDerWaalsContact O-N 3.13Å; E63-G65 VanDerWaalsContact C-N 3.33Å |
| 66 | T | 57.2 | Low | 61.7 | Low | 45 Ų | 45 | 73.2 Ų | 73.2 | 28% | 0.276 | 45% | 0.445 | S | S | . | . | trans | -102 | 27.5 | -175.6 | 61.7 | 0 | 0 | 0 | 0 | 112.4 | L61 A64 G68 E69 | L61-T66 PolarHBondContact O-N 2.93Å; L61-T66 VanDerWaalsContact O-N 3.08Å; A64-T66 HydrophobicContact CB-CG2 3.96Å; A64-T66 PolarHBondContact O-N 3.31Å; T66-G68 PolarHBondContact O-N 3.12Å; T66-E69 PolarHBondContact O-N 2.86Å | ||
| 67 | F | 49.4 | Very low | 60.2 | Low | 161 Ų | 161 | 77.7 Ų | 77.7 | 71% | 0.706 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 104.6 | 179.4 | -167.7 | -94.6 | 0 | 0 | 0 | 109.5 | L62 | L62-F67 HydrophobicContact CD1-CD2 3.96Å; L62-F67 HydrophobicContact CD1-CE2 4.27Å |
| 68 | G | 49.9 | Very low | 58.5 | Low | 77 Ų | 77 | 78.2 Ų | 78.2 | 79% | 0.794 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 121.9 | -6.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | T66 | T66-G68 PolarHBondContact O-N 3.12Š|
| 69 | E | 53.5 | Low | 57.4 | Low | 122 Ų | 122 | 77.7 Ų | 77.7 | 57% | 0.57 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -79.3 | 148 | 174.6 | -76.7 | -73 | 104.8 | 0 | 0 | 112.2 | T66 A71 | T66-E69 PolarHBondContact O-N 2.86Å; E69-A71 PolarHBondContact O-N 3.09Å |
| 70 | P | 47.4 | Very low | 56 | Low | 104 Ų | 104 | 80.1 Ų | 80.1 | 68% | 0.675 | 46% | 0.457 | S | S | * | . | trans | -60.4 | 133.8 | -172.4 | 21.1 | -31.2 | 0 | 0 | 0 | 113.2 | G72 | P70-G72 PolarHBondContact O-N 2.9Š| ||
| 71 | A | 47.9 | Very low | 54.7 | Low | 74 Ų | 74 | 83.8 Ų | 83.8 | 61% | 0.612 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 115.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.1 | A54 E69 | A54-A71 HydrophobicContact CB-CB 4.18Å; A54-A71 CarbonylContact O-C 3.3Å; A54-A71 VanDerWaalsContact O-C 3.3Å; A54-A71 WeakPolarHBondContact O-CB 3.47Å; E69-A71 PolarHBondContact O-N 3.09Å |
| 72 | G | 46.8 | Very low | 53.4 | Low | 65 Ų | 65 | 84.1 Ų | 84.1 | 67% | 0.67 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 148.6 | -12.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | A54 P70 | A54-G72 PolarHBondContact O-N 2.97Å; P70-G72 PolarHBondContact O-N 2.9Å |
| 73 | R | 53 | Low | 52.1 | Low | 145 Ų | 145 | 82.5 Ų | 82.5 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -87.4 | 133.7 | 175 | -145.2 | 165.9 | 175 | -169.9 | -2.6 | 109.9 | A75 E84 | R73-A75 PolarHBondContact O-N 3.4Å; R73-E84 IonicContact NH2-OE1 2.63Å; R73-E84 PolarHBondContact NH2-OE1 3.5Å |
| 74 | P | 53.1 | Low | 51.3 | Low | 83 Ų | 83 | 82.4 Ų | 82.4 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | trans | -57.6 | 131.1 | 175.2 | 22.1 | -31.5 | 0 | 0 | 0 | 109.3 | N76 V100 S101 | P74-N76 PolarHBondContact O-N 2.89Å; P74-V100 HydrophobicContact CB-CG1 4.41Å; P74-S101 WeakPolarHBondContact CB-O 3.4Å | ||
| 75 | A | 55.5 | Low | 50.6 | Low | 23 Ų | 23 | 86.8 Ų | 86.8 | 19% | 0.19 | 53% | 0.525 | C | S | . | . | trans | -70.4 | 97.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | P56 R73 S101 F137 | P56-A75 HydrophobicContact CB-CB 3.66Å; P56-A75 HydrophobicContact CG-CB 3.88Å; R73-A75 PolarHBondContact O-N 3.4Å; A75-S101 WeakPolarHBondContact O-CB 3.3Å; A75-S101 PolarHBondContact O-N 2.87Å; A75-S101 PolarHBondContact O-OG 3.2Å; A75-F137 HydrophobicContact CB-CZ 3.96Å | ||
| 76 | N | 55.8 | Low | 50.5 | Low | 36 Ų | 36 | 84.6 Ų | 84.6 | 19% | 0.193 | 50% | 0.501 | C | S | . | . | trans | -90.8 | 109.1 | 170.9 | -172.7 | -8.9 | 0 | 0 | 0 | 108.2 | P74 S78 R79 A99 | P74-N76 PolarHBondContact O-N 2.89Å; N76-S78 VanDerWaalsContact CG-OG 3.31Å; N76-S78 PolarHBondContact ND2-OG 2.96Å; N76-S78 VanDerWaalsContact ND2-OG 3.14Å; N76-S78 PolarHBondContact O-N 3.34Å; N76-S78 WeakPolarHBondContact OD1-CB 3.3Å; N76-S78 PolarHBondContact OD1-N 3.48Å; N76-S78 PolarHBondContact OD1-OG 2.87Å; N76-R79 HydrophobicContact CB-CB 4.4Å; N76-R79 HydrophobicContact CB-CG 4.1Å; N76-R79 PolarHBondContact O-N 3.11Å; N76-R79 VanDerWaalsContact O-N 3.13Å; N76-A99 PolarHBondContact OD1-O 3.02Å | ||
| 77 | R | 54.3 | Low | 50.4 | Low | 110 Ų | 110 | 86.3 Ų | 86.3 | 42% | 0.415 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -17.7 | 174.3 | -83.3 | -174.5 | 172.7 | 156.3 | -9.5 | 113.3 | F60 E63 T197 | F60-R77 VanDerWaalsContact CE1-NH2 3.35Å; E63-R77 IonicContact OE2-NE 3Å; E63-R77 IonicContact OE2-NH2 3.87Å; E63-R77 PolarHBondContact OE2-NH2 2.96Å; R77-T197 PolarHBondContact NH1-O 2.99Å |
| 78 | S | 51.3 | Low | 50.9 | Low | 28 Ų | 28 | 81.6 Ų | 81.6 | 20% | 0.196 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 1.2 | 179.7 | 79.8 | 0 | 0 | 0 | 0 | 115.2 | N76 | N76-S78 VanDerWaalsContact CG-OG 3.31Å; N76-S78 PolarHBondContact ND2-OG 2.96Å; N76-S78 VanDerWaalsContact ND2-OG 3.14Å; N76-S78 PolarHBondContact O-N 3.34Å; N76-S78 WeakPolarHBondContact OD1-CB 3.3Å; N76-S78 PolarHBondContact OD1-N 3.48Å; N76-S78 PolarHBondContact OD1-OG 2.87Å |
| 79 | R | 53.2 | Low | 51.2 | Low | 110 Ų | 110 | 83.2 Ų | 83.2 | 42% | 0.415 | 50% | 0.503 | S | S | . | . | trans | -109.7 | 63.9 | -173.8 | -72.8 | -174.6 | 170 | -170.6 | -8.6 | 113.2 | N76 G81 E84 | N76-R79 HydrophobicContact CB-CB 4.4Å; N76-R79 HydrophobicContact CB-CG 4.1Å; N76-R79 PolarHBondContact O-N 3.11Å; N76-R79 VanDerWaalsContact O-N 3.13Å; R79-G81 PolarHBondContact O-N 3.26Å; R79-G81 VanDerWaalsContact O-N 3.13Å; R79-E84 IonicContact CZ-OE1 3.37Å; R79-E84 IonicContact CZ-OE2 3.59Å; R79-E84 IonicContact NH1-OE1 2.96Å; R79-E84 PolarHBondContact NH1-OE1 2.75Å; R79-E84 IonicContact NH2-OE1 3.13Å; R79-E84 PolarHBondContact NH2-OE1 3Å; R79-E84 IonicContact NH2-OE2 3.38Å; R79-E84 PolarHBondContact NH2-OE2 2.85Å | ||
| 80 | R | 49.2 | Very low | 51.3 | Low | 140 Ų | 140 | 87.2 Ų | 87.2 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -74.1 | 96.7 | 160.3 | -75.1 | -165.3 | -112.2 | -157 | -1.7 | 109.2 | A82 E93 | R80-A82 PolarHBondContact O-N 2.95Å; R80-E93 IonicContact CZ-OE1 2.68Å; R80-E93 IonicContact CZ-OE2 3.76Å; R80-E93 IonicContact NE-OE2 3.54Å; R80-E93 IonicContact NH1-OE1 3.83Å; R80-E93 IonicContact NH2-OE1 2.7Å; R80-E93 IonicContact NH2-OE2 3.66Å; R80-E93 PolarHBondContact NH2-OE2 3.4Å |
| 81 | G | 46 | Very low | 52 | Low | 87 Ų | 87 | 85.7 Ų | 85.7 | 90% | 0.897 | 49% | 0.493 | S | S | * | . | S | Bend | trans | 62.4 | 32.2 | 148.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | R79 | R79-G81 PolarHBondContact O-N 3.26Å; R79-G81 VanDerWaalsContact O-N 3.13Å |
| 82 | A | 43.1 | Very low | 53.1 | Low | 41 Ų | 41 | 85.2 Ų | 85.2 | 34% | 0.339 | 50% | 0.495 | S | S | . | . | trans | -135.4 | 135.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R80 E84 R91 | R80-A82 PolarHBondContact O-N 2.95Å; A82-E84 PolarHBondContact O-N 3.42Å; A82-R91 HydrophobicContact CB-CB 3.89Å; A82-R91 HydrophobicContact CB-CG 3.69Å | ||
| 83 | S | 45.2 | Very low | 54.5 | Low | 73 Ų | 73 | 88 Ų | 88 | 51% | 0.51 | 49% | 0.491 | S | S | . | . | trans | -47.1 | 136.4 | 176.7 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | T85 A86 R91 | S83-T85 PolarHBondContact O-N 3Å; S83-T85 PolarHBondContact OG-OG1 3.41Å; S83-A86 PolarHBondContact O-N 2.85Å; S83-R91 VanDerWaalsContact O-CZ 3.25Å; S83-R91 PolarHBondContact O-NH1 2.92Å | ||
| 84 | E | 48.5 | Very low | 55.8 | Low | 105 Ų | 105 | 85.3 Ų | 85.3 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -10 | -179.9 | -68.4 | -165.9 | -156.8 | 0 | 0 | 113.7 | R73 R79 A82 R91 | R73-E84 IonicContact NH2-OE1 2.63Å; R73-E84 PolarHBondContact NH2-OE1 3.5Å; R79-E84 IonicContact CZ-OE1 3.37Å; R79-E84 IonicContact CZ-OE2 3.59Å; R79-E84 IonicContact NH1-OE1 2.96Å; R79-E84 PolarHBondContact NH1-OE1 2.75Å; R79-E84 IonicContact NH2-OE1 3.13Å; R79-E84 PolarHBondContact NH2-OE1 3Å; R79-E84 IonicContact NH2-OE2 3.38Å; R79-E84 PolarHBondContact NH2-OE2 2.85Å; A82-E84 PolarHBondContact O-N 3.42Å; E84-R91 VanDerWaalsContact CA-NH1 3.33Å; E84-R91 PolarHBondContact O-NH1 2.88Å; E84-R91 PolarHBondContact O-NH2 2.81Å |
| 85 | T | 46.4 | Very low | 57.4 | Low | 125 Ų | 125 | 82.9 Ų | 82.9 | 77% | 0.767 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | -3.1 | 179.7 | 54.1 | 0 | 0 | 0 | 0 | 114.7 | S83 | S83-T85 PolarHBondContact O-N 3Å; S83-T85 PolarHBondContact OG-OG1 3.41Å |
| 86 | A | 54.5 | Low | 59 | Low | 23 Ų | 23 | 85.1 Ų | 85.1 | 19% | 0.19 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -73.1 | 146.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S83 R91 | S83-A86 PolarHBondContact O-N 2.85Å; A86-R91 HydrophobicContact CB-CG 4.26Å; A86-R91 PolarHBondContact O-NE 2.98Å; A86-R91 PolarHBondContact O-NH2 3.29Å |
| 87 | P | 55.2 | Low | 60.7 | Low | 80 Ų | 80 | 83.8 Ų | 83.8 | 52% | 0.519 | 48% | 0.479 | S | S | . | . | trans | -61.2 | 146.8 | 171.5 | 24.5 | -32.5 | 0 | 0 | 0 | 111.1 | S89 R90 | P87-S89 PolarHBondContact O-N 2.83Å; P87-R90 PolarHBondContact O-N 2.94Å | ||
| 88 | A | 58.1 | Low | 62.3 | Low | 63 Ų | 63 | 79.9 Ų | 79.9 | 52% | 0.521 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -53.5 | -30.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R90 R91 L94 | A88-R90 PolarHBondContact O-N 3.4Å; A88-R91 PolarHBondContact O-N 2.75Å; A88-R91 VanDerWaalsContact O-N 3.17Å; A88-L94 HydrophobicContact CB-CD1 4.3Å |
| 89 | S | 56.7 | Low | 64 | Low | 110 Ų | 110 | 79 Ų | 79 | 77% | 0.769 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -62.5 | -18.8 | 176.9 | 55.9 | 0 | 0 | 0 | 0 | 114.7 | P87 | P87-S89 PolarHBondContact O-N 2.83Š|
| 90 | R | 56.6 | Low | 65.7 | Low | 206 Ų | 206 | 76.9 Ų | 76.9 | 78% | 0.777 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -110.7 | 6.2 | 178.3 | -63.1 | -172.6 | -179 | -126.3 | 2.2 | 113.3 | P87 A88 | P87-R90 PolarHBondContact O-N 2.94Å; A88-R90 PolarHBondContact O-N 3.4Å |
| 91 | R | 61.2 | Low | 67.6 | Low | 73 Ų | 73 | 70.3 Ų | 70.3 | 28% | 0.275 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -91.3 | 3.6 | -174.9 | -72.4 | -162.9 | -166.6 | -143.1 | 6.8 | 115.8 | A82 S83 E84 A86 A88 L94 | A82-R91 HydrophobicContact CB-CB 3.89Å; A82-R91 HydrophobicContact CB-CG 3.69Å; S83-R91 VanDerWaalsContact O-CZ 3.25Å; S83-R91 PolarHBondContact O-NH1 2.92Å; E84-R91 VanDerWaalsContact CA-NH1 3.33Å; E84-R91 PolarHBondContact O-NH1 2.88Å; E84-R91 PolarHBondContact O-NH2 2.81Å; A86-R91 HydrophobicContact CB-CG 4.26Å; A86-R91 PolarHBondContact O-NE 2.98Å; A86-R91 PolarHBondContact O-NH2 3.29Å; A88-R91 PolarHBondContact O-N 2.75Å; A88-R91 VanDerWaalsContact O-N 3.17Å; R91-L94 HydrophobicContact CB-CD2 4.35Å |
| 92 | G | 71.3 | Confident | 69.8 | Low | 63 Ų | 63 | 67.5 Ų | 67.5 | 65% | 0.649 | 41% | 0.406 | S | S | * | . | trans | 71.3 | -142.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 93 | E | 75.8 | Confident | 72.1 | Confident | 125 Ų | 125 | 67.7 Ų | 67.7 | 58% | 0.584 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 131.5 | -177.8 | -63.1 | 170.8 | -149.2 | 0 | 0 | 111.9 | R80 | R80-E93 IonicContact CZ-OE1 2.68Å; R80-E93 IonicContact CZ-OE2 3.76Å; R80-E93 IonicContact NE-OE2 3.54Å; R80-E93 IonicContact NH1-OE1 3.83Å; R80-E93 IonicContact NH2-OE1 2.7Å; R80-E93 IonicContact NH2-OE2 3.66Å; R80-E93 PolarHBondContact NH2-OE2 3.4Å |
| 94 | L | 81.1 | Confident | 74.5 | Confident | 87 Ų | 87 | 65.2 Ų | 65.2 | 46% | 0.455 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -102.8 | 133.9 | 174 | -62.2 | 176.9 | 0 | 0 | 0 | 110.2 | A88 R91 | A88-L94 HydrophobicContact CB-CD1 4.3Å; R91-L94 HydrophobicContact CB-CD2 4.35Å |
| 95 | A | 85.8 | Confident | 76.5 | Confident | 32 Ų | 32 | 63.8 Ų | 63.8 | 26% | 0.264 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 148.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | C97 R159 | A95-C97 VanDerWaalsContact C-N 3.33Å; A95-C97 WeakPolarHBondContact CB-O 3.26Å; A95-R159 WeakPolarHBondContact O-CD 3.04Å; A95-R159 PolarHBondContact O-NH1 3.48Å |
| 96 | V | 90.4 | Very high | 78.6 | Confident | 70 Ų | 70 | 63.5 Ų | 63.5 | 42% | 0.424 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -69.3 | -36.2 | 174.1 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | G152 C158 R159 C201 | V96-G152 WeakPolarHBondContact O-CA 3.42Å; V96-C158 HydrophobicContact CG1-CB 3.6Å; V96-R159 WeakPolarHBondContact O-CB 3.48Å; V96-R159 PolarHBondContact O-N 3.13Å; V96-C201 HydrophobicContact CG1-CB 3.61Å |
| 97 | C | 90.4 | Very high | 80.5 | Confident | 9 Ų | 9 | 64.8 Ų | 64.8 | 6% | 0.061 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -128.6 | 131.5 | 172.6 | -64.2 | 0 | 0 | 0 | 0 | 109 | A95 G152 C170 C199 | A95-C97 VanDerWaalsContact C-N 3.33Å; A95-C97 WeakPolarHBondContact CB-O 3.26Å; C97-G152 CarbonylContact C-O 3.44Å; C97-G152 WeakPolarHBondContact CA-O 3.4Å; C97-C170 VanDerWaalsContact CA-SG 3.6Å; C97-C170 HydrophobicContact CB-CB 3.74Å; C97-C170 WeakPolarHBondContact CB-SG 3.37Å; C97-C170 VanDerWaalsContact SG-CA 3.51Å; C97-C170 WeakPolarHBondContact SG-CB 3.31Å; C97-C170 CovalentContact SG-SG 2.03Å; C97-C170 PolarHBondContact SG-SG 2.84Å; C97-C199 HydrophobicContact CB-CB 4.3Å; C97-C199 VanDerWaalsContact CB-SG 3.54Å |
| 98 | D | 88.1 | Confident | 82.4 | Confident | 27 Ų | 27 | 70.3 Ų | 70.3 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | trans | -75.3 | 137.1 | 176.1 | -65.3 | -34.1 | 0 | 0 | 0 | 109.7 | K142 G152 R159 | D98-K142 HydrophobicContact CB-CB 3.91Å; D98-K142 HydrophobicContact CB-CD 4.05Å; D98-K142 PolarHBondContact O-N 3.1Å; D98-G152 PolarHBondContact N-O 2.87Å; D98-R159 IonicContact OD1-CZ 3.93Å; D98-R159 IonicContact OD1-NH1 3.27Å; D98-R159 PolarHBondContact OD1-NH1 2.77Å; D98-R159 IonicContact OD1-NH2 3.38Å; D98-R159 PolarHBondContact OD1-NH2 3.32Å; D98-R159 IonicContact OD2-CZ 2.82Å; D98-R159 IonicContact OD2-NH1 3.03Å; D98-R159 IonicContact OD2-NH2 3.32Å; D98-R159 PolarHBondContact OD2-NH2 3.21Å | ||
| 99 | A | 87.6 | Confident | 84.2 | Confident | 9 Ų | 9 | 70.8 Ų | 70.8 | 7% | 0.074 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 151.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111 | N76 T139 R140 C199 | N76-A99 PolarHBondContact OD1-O 3.02Å; A99-T139 HydrophobicContact CB-CG2 3.86Å; A99-R140 CarbonylContact C-O 3.59Å; A99-R140 VanDerWaalsContact CA-O 3.27Å; A99-R140 WeakPolarHBondContact CA-O 3.49Å; A99-C199 HydrophobicContact CB-CB 3.82Å |
| 100 | V | 88.3 | Confident | 86.1 | Confident | 67 Ų | 67 | 65.9 Ų | 65.9 | 41% | 0.406 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 129.8 | 173.7 | -175.8 | 0 | 0 | 0 | 0 | 108 | P74 T139 R140 K142 | P74-V100 HydrophobicContact CB-CG1 4.41Å; V100-T139 CarbonylContact O-C 3.58Å; V100-T139 WeakPolarHBondContact O-CA 3.22Å; V100-R140 PolarHBondContact N-O 2.88Å; V100-R140 PolarHBondContact O-N 2.88Å; V100-K142 HydrophobicContact CG2-CB 3.99Å; V100-K142 HydrophobicContact CG2-CG 4.04Å |
| 101 | S | 89.8 | Confident | 88 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 145.8 | 174.5 | -37.2 | 0 | 0 | 0 | 0 | 111.4 | P74 A75 F137 E138 T139 | P74-S101 WeakPolarHBondContact CB-O 3.4Å; A75-S101 WeakPolarHBondContact O-CB 3.3Å; A75-S101 PolarHBondContact O-N 2.87Å; A75-S101 PolarHBondContact O-OG 3.2Å; S101-F137 VanDerWaalsContact CB-CZ 3.46Å; S101-E138 CarbonylContact C-O 3.59Å; S101-E138 WeakPolarHBondContact CA-O 3.42Å; S101-T139 WeakPolarHBondContact CB-OG1 3.36Å; S101-T139 VanDerWaalsContact OG-CG2 3.29Å; S101-T139 WeakPolarHBondContact OG-CG2 3.38Å; S101-T139 PolarHBondContact OG-OG1 3.31Å |
| 102 | G | 91.6 | Very high | 89.7 | Confident | 28 Ų | 28 | 54 Ų | 54 | 29% | 0.289 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.6 | 166.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E138 | G102-E138 PolarHBondContact N-O 2.9Å; G102-E138 PolarHBondContact O-N 2.75Å |
| 103 | W | 92.4 | Very high | 90.8 | Very high | 44 Ų | 44 | 56 Ų | 56 | 17% | 0.167 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 124.3 | 172.8 | -67.8 | 107.2 | 0 | 0 | 0 | 110.5 | V47 T52 P53 G55 P57 F136 F137 | V47-W103 HydrophobicContact CB-CH2 4.07Å; V47-W103 HydrophobicContact CB-CZ3 4.11Å; V47-W103 HydrophobicContact CG2-CH2 3.54Å; V47-W103 HydrophobicContact CG2-CZ2 4.41Å; V47-W103 HydrophobicContact CG2-CZ3 4.06Å; T52-W103 HydrophobicContact CG2-CB 4.28Å; P53-W103 HydrophobicContact CB-CD2 4.24Å; P53-W103 HydrophobicContact CB-CZ2 3.82Å; P53-W103 HydrophobicContact CG-CD2 3.93Å; P53-W103 HydrophobicContact CG-CE3 4.21Å; P53-W103 HydrophobicContact CG-CG 4.48Å; P53-W103 HydrophobicContact CG-CH2 4.16Å; P53-W103 HydrophobicContact CG-CZ2 3.88Å; P53-W103 HydrophobicContact CG-CZ3 4.31Å; G55-W103 PolarHBondContact O-NE1 3.41Å; P57-W103 HydrophobicContact CG-CH2 3.91Å; P57-W103 HydrophobicContact CG-CZ2 3.81Å; W103-F136 CarbonylContact C-O 3.48Å; W103-F136 WeakPolarHBondContact CA-O 3.27Å; W103-F137 HydrophobicContact CD2-CB 4.29Å; W103-F137 AromaticContact CD2-CD2 3.8Å; W103-F137 HydrophobicContact CD2-CD2 3.8Å; W103-F137 AromaticContact CE2-CD2 3.72Å; W103-F137 HydrophobicContact CE3-CB 3.9Å; W103-F137 HydrophobicContact CE3-CD2 4.27Å; W103-F137 HydrophobicContact CG-CD2 4.1Å; W103-F137 HydrophobicContact CH2-CB 3.98Å; W103-F137 HydrophobicContact CZ2-CB 4.36Å; W103-F137 HydrophobicContact CZ2-CD2 4.14Å; W103-F137 HydrophobicContact CZ3-CB 3.74Å; W103-F137 AromaticContact NE1-CD2 3.93Å |
| 104 | V | 93.8 | Very high | 91.6 | Very high | 22 Ų | 22 | 59.7 Ų | 59.7 | 13% | 0.133 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 121.7 | 170.2 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | R107 F136 E138 | V104-R107 HydrophobicContact CG1-CB 3.91Å; V104-F136 HydrophobicContact CB-CB 4.45Å; V104-F136 PolarHBondContact N-O 3.14Å; V104-F136 PolarHBondContact O-N 2.84Å; V104-E138 HydrophobicContact CG2-CB 3.89Å; V104-E138 HydrophobicContact CG2-CG 3.69Å |
| 105 | T | 91.7 | Very high | 92.3 | Very high | 74 Ų | 74 | 58 Ų | 58 | 45% | 0.454 | 31% | 0.31 | S | S | . | . | trans | -108.5 | -12.8 | -172.1 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | T52 Y135 | T52-T105 HydrophobicContact CG2-CG2 3.74Å; T105-Y135 HydrophobicContact CG2-CD1 3.73Å; T105-Y135 HydrophobicContact CG2-CE1 3.76Å | ||
| 106 | D | 91 | Very high | 92.8 | Very high | 120 Ų | 120 | 61 Ų | 61 | 64% | 0.642 | 32% | 0.315 | S | S | * | . | trans | -124.9 | 21.6 | -168.2 | 64.4 | -24.4 | 0 | 0 | 0 | 112.6 | R108 | D106-R108 PolarHBondContact O-N 3.47Š| ||
| 107 | R | 93.7 | Very high | 93.1 | Very high | 50 Ų | 50 | 64.1 Ų | 64.1 | 19% | 0.189 | 33% | 0.325 | C | S | . | . | trans | -69.1 | 115.6 | 177.8 | 177.8 | 160.3 | -105.6 | -137.6 | -1.2 | 110.6 | V104 V120 F136 E138 R194 | V104-R107 HydrophobicContact CG1-CB 3.91Å; R107-V120 HydrophobicContact CG-CB 4.39Å; R107-V120 HydrophobicContact CG-CG2 4.14Å; R107-F136 HydrophobicContact CB-CD2 4.03Å; R107-F136 HydrophobicContact CB-CE2 4.25Å; R107-F136 HydrophobicContact CG-CD2 4.4Å; R107-F136 HydrophobicContact CG-CE2 4.42Å; R107-E138 IonicContact CZ-OE1 3.93Å; R107-E138 VanDerWaalsContact CZ-OE1 3.24Å; R107-E138 IonicContact NE-OE1 3.87Å; R107-E138 PolarHBondContact NE-OE1 2.82Å; R107-E138 VanDerWaalsContact NE-OE1 3.11Å; R107-E138 IonicContact NH1-OE1 3.48Å; R107-E138 IonicContact NH2-OE1 3.24Å; R107-E138 PolarHBondContact NH2-OE1 3.24Å; R107-R194 PolarHBondContact NH1-O 3.34Å | ||
| 108 | R | 94.4 | Very high | 93.5 | Very high | 195 Ų | 195 | 64 Ų | 64 | 74% | 0.736 | 32% | 0.324 | S | S | * | . | trans | -106.5 | -27.1 | -179.9 | -60.4 | -171.4 | -176.9 | -167.1 | -0.6 | 114.3 | D106 E119 V120 | D106-R108 PolarHBondContact O-N 3.47Å; R108-E119 CarbonylContact O-C 3.5Å; R108-E119 WeakPolarHBondContact O-CA 2.91Å; R108-V120 PolarHBondContact O-N 3.24Å | ||
| 109 | T | 96.1 | Very high | 93.9 | Very high | 74 Ų | 74 | 68.6 Ų | 68.6 | 45% | 0.454 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 151.6 | -179.9 | 61.5 | 0 | 0 | 0 | 0 | 110.2 | V118 | T109-V118 WeakPolarHBondContact CA-O 3.42Å |
| 110 | A | 96.7 | Very high | 94.3 | Very high | 6 Ų | 6 | 68.4 Ų | 68.4 | 5% | 0.05 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 174.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | E117 V118 V120 I193 | A110-E117 WeakPolarHBondContact O-CA 3.05Å; A110-V118 PolarHBondContact N-O 3.5Å; A110-V118 WeakPolarHBondContact O-CG2 3.42Å; A110-V118 PolarHBondContact O-N 3.34Å; A110-V120 HydrophobicContact CB-CG2 3.65Å; A110-I193 HydrophobicContact CB-CB 3.72Å; A110-I193 HydrophobicContact CB-CD1 3.68Å; A110-I193 HydrophobicContact CB-CG1 4.27Å; A110-I193 HydrophobicContact CB-CG2 3.89Å |
| 111 | V | 97.4 | Very high | 94.5 | Very high | 26 Ų | 26 | 67 Ų | 67 | 16% | 0.158 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.3 | 175.3 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | G115 R116 I193 R194 | V111-G115 WeakPolarHBondContact CG1-O 3.4Å; V111-R116 WeakPolarHBondContact CA-O 3.29Å; V111-I193 WeakPolarHBondContact O-CA 3.36Å; V111-R194 HydrophobicContact CB-CG 4.25Å; V111-R194 VanDerWaalsContact CG2-NH2 3.28Å; V111-R194 PolarHBondContact O-N 3.48Å |
| 112 | D | 95.5 | Very high | 94.2 | Very high | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.027 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -74.7 | 172 | -178.4 | 78.9 | 4.7 | 0 | 0 | 0 | 112.2 | R114 G115 R116 V118 W192 | D112-R114 PolarHBondContact O-N 3.43Å; D112-R114 VanDerWaalsContact O-N 3.09Å; D112-R114 VanDerWaalsContact OD1-C 3.29Å; D112-R114 VanDerWaalsContact OD1-CA 3.26Å; D112-R114 WeakPolarHBondContact OD1-CA 3.49Å; D112-R114 VanDerWaalsContact OD1-CB 3.32Å; D112-R114 WeakPolarHBondContact OD1-CB 3.34Å; D112-R114 PolarHBondContact OD1-N 3.02Å; D112-G115 PolarHBondContact O-N 2.85Å; D112-G115 PolarHBondContact OD1-N 3.37Å; D112-G115 VanDerWaalsContact OD1-N 3.12Å; D112-R116 PolarHBondContact N-O 3.15Å; D112-R116 PolarHBondContact OD1-N 2.86Å; D112-R116 IonicContact OD1-NE 3.11Å; D112-R116 IonicContact OD2-CZ 3.44Å; D112-R116 IonicContact OD2-NE 2.83Å; D112-R116 PolarHBondContact OD2-NE 2.8Å; D112-R116 VanDerWaalsContact OD2-NE 3.11Å; D112-R116 IonicContact OD2-NH2 3.42Å; D112-R116 PolarHBondContact OD2-NH2 3.45Å; D112-V118 HydrophobicContact CB-CG1 4.07Å; D112-V118 HydrophobicContact CB-CG2 4.31Å; D112-W192 CarbonylContact C-O 3.4Å; D112-W192 WeakPolarHBondContact CA-O 3.36Å |
| 113 | L | 94.8 | Very high | 94 | Very high | 105 Ų | 105 | 72.8 Ų | 72.8 | 55% | 0.55 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -21.5 | 176.3 | -170.3 | 67.7 | 0 | 0 | 0 | 113.7 | G115 Y176 W192 | L113-G115 VanDerWaalsContact C-N 3.31Å; L113-Y176 HydrophobicContact CB-CD1 4.48Å; L113-Y176 HydrophobicContact CB-CE1 4.18Å; L113-Y176 HydrophobicContact CD1-CD1 3.99Å; L113-Y176 HydrophobicContact CD1-CD2 3.8Å; L113-Y176 HydrophobicContact CD1-CE1 3.77Å; L113-Y176 HydrophobicContact CD1-CE2 3.56Å; L113-Y176 HydrophobicContact CD1-CG 4Å; L113-W192 HydrophobicContact CB-CB 4.13Å; L113-W192 PolarHBondContact N-O 2.63Å |
| 114 | R | 94.1 | Very high | 93.6 | Very high | 201 Ų | 201 | 70.9 Ų | 70.9 | 76% | 0.758 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 6.5 | 178 | -56.1 | -177.7 | -178.9 | -164 | -0.3 | 112.2 | D112 R116 | D112-R114 PolarHBondContact O-N 3.43Å; D112-R114 VanDerWaalsContact O-N 3.09Å; D112-R114 VanDerWaalsContact OD1-C 3.29Å; D112-R114 VanDerWaalsContact OD1-CA 3.26Å; D112-R114 WeakPolarHBondContact OD1-CA 3.49Å; D112-R114 VanDerWaalsContact OD1-CB 3.32Å; D112-R114 WeakPolarHBondContact OD1-CB 3.34Å; D112-R114 PolarHBondContact OD1-N 3.02Å; R114-R116 VanDerWaalsContact C-N 3.28Å; R114-R116 HydrophobicContact CB-CG 4.35Å; R114-R116 PolarHBondContact O-N 2.91Å |
| 115 | G | 95.2 | Very high | 93.1 | Very high | 51 Ų | 51 | 73.7 Ų | 73.7 | 53% | 0.526 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 76.5 | 12.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V111 D112 L113 | V111-G115 WeakPolarHBondContact CG1-O 3.4Å; D112-G115 PolarHBondContact O-N 2.85Å; D112-G115 PolarHBondContact OD1-N 3.37Å; D112-G115 VanDerWaalsContact OD1-N 3.12Å; L113-G115 VanDerWaalsContact C-N 3.31Å |
| 116 | R | 96.1 | Very high | 92.5 | Very high | 96 Ų | 96 | 71.6 Ų | 71.6 | 36% | 0.362 | 37% | 0.367 | S | S | . | . | trans | -95.3 | 140.2 | -179 | -57.4 | 178.2 | -59.5 | 165.5 | 8.4 | 111 | V111 D112 R114 | V111-R116 WeakPolarHBondContact CA-O 3.29Å; D112-R116 PolarHBondContact N-O 3.15Å; D112-R116 PolarHBondContact OD1-N 2.86Å; D112-R116 IonicContact OD1-NE 3.11Å; D112-R116 IonicContact OD2-CZ 3.44Å; D112-R116 IonicContact OD2-NE 2.83Å; D112-R116 PolarHBondContact OD2-NE 2.8Å; D112-R116 VanDerWaalsContact OD2-NE 3.11Å; D112-R116 IonicContact OD2-NH2 3.42Å; D112-R116 PolarHBondContact OD2-NH2 3.45Å; R114-R116 VanDerWaalsContact C-N 3.28Å; R114-R116 HydrophobicContact CB-CG 4.35Å; R114-R116 PolarHBondContact O-N 2.91Å | ||
| 117 | E | 97.3 | Very high | 91.7 | Very high | 136 Ų | 136 | 70.4 Ų | 70.4 | 64% | 0.636 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 134 | 171.7 | -167.5 | 171.5 | 168.6 | 0 | 0 | 110.5 | A110 | A110-E117 WeakPolarHBondContact O-CA 3.05Å |
| 118 | V | 97.2 | Very high | 90.4 | Very high | 5 Ų | 5 | 72.5 Ų | 72.5 | 3% | 0.03 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 147.2 | -179.8 | -65.1 | 0 | 0 | 0 | 0 | 109.6 | T109 A110 D112 T181 I193 | T109-V118 WeakPolarHBondContact CA-O 3.42Å; A110-V118 PolarHBondContact N-O 3.5Å; A110-V118 WeakPolarHBondContact O-CG2 3.42Å; A110-V118 PolarHBondContact O-N 3.34Å; D112-V118 HydrophobicContact CB-CG1 4.07Å; D112-V118 HydrophobicContact CB-CG2 4.31Å; V118-T181 HydrophobicContact CG2-CG2 3.97Å; V118-I193 HydrophobicContact CG2-CG2 3.88Å |
| 119 | E | 97.4 | Very high | 89.4 | Confident | 124 Ų | 124 | 65.2 Ų | 65.2 | 58% | 0.579 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 129.3 | 175.4 | -171.7 | -179.4 | 177.6 | 0 | 0 | 109.4 | R108 T181 A182 | R108-E119 CarbonylContact O-C 3.5Å; R108-E119 WeakPolarHBondContact O-CA 2.91Å; E119-T181 CarbonylContact O-C 3.56Å; E119-T181 WeakPolarHBondContact O-CA 3.5Å; E119-T181 WeakPolarHBondContact O-CB 3.4Å; E119-A182 HydrophobicContact CB-CB 4.37Å; E119-A182 PolarHBondContact N-O 3.18Å; E119-A182 PolarHBondContact O-N 2.94Å |
| 120 | V | 96.1 | Very high | 88.7 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.03 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 121 | 175.4 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | R107 R108 A110 G122 F136 T181 I193 | R107-V120 HydrophobicContact CG-CB 4.39Å; R107-V120 HydrophobicContact CG-CG2 4.14Å; R108-V120 PolarHBondContact O-N 3.24Å; A110-V120 HydrophobicContact CB-CG2 3.65Å; V120-G122 PolarHBondContact O-N 3.28Å; V120-F136 HydrophobicContact CG1-CE2 3.76Å; V120-F136 HydrophobicContact CG1-CZ 3.77Å; V120-T181 HydrophobicContact CG2-CG2 4.24Å; V120-I193 HydrophobicContact CG2-CD1 4.03Å |
| 121 | L | 92.3 | Very high | 88.2 | Confident | 37 Ų | 37 | 67.2 Ų | 67.2 | 19% | 0.194 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 125.8 | -179 | -79.8 | 77.9 | 0 | 0 | 0 | 109.6 | E123 Q134 L180 T181 A182 V188 | L121-E123 PolarHBondContact O-N 3.29Å; L121-Q134 PolarHBondContact O-NE2 3.37Å; L121-L180 HydrophobicContact CD1-CG 4.46Å; L121-L180 HydrophobicContact CD2-CD2 3.95Å; L121-L180 HydrophobicContact CD2-CG 4.29Å; L121-L180 PolarHBondContact N-O 3.25Å; L121-L180 VanDerWaalsContact N-O 3.16Å; L121-T181 VanDerWaalsContact CD1-CA 3.42Å; L121-A182 HydrophobicContact CD1-CB 4.01Å; L121-A182 VanDerWaalsContact CD1-N 3.26Å; L121-V188 HydrophobicContact CD1-CG1 4.28Å; L121-V188 HydrophobicContact CD2-CG1 3.82Å; L121-V188 HydrophobicContact CD2-CG2 4.25Å |
| 122 | G | 84.4 | Confident | 87.9 | Confident | 50 Ų | 50 | 67.8 Ų | 67.8 | 52% | 0.515 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -65.9 | -28.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | V120 R133 | V120-G122 PolarHBondContact O-N 3.28Å; G122-R133 WeakPolarHBondContact O-CA 2.83Å; G122-R133 WeakPolarHBondContact O-CG 2.99Å |
| 123 | E | 85.6 | Confident | 87.6 | Confident | 102 Ų | 102 | 73.7 Ų | 73.7 | 48% | 0.477 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 135 | -178 | -67 | -172.8 | 178 | 0 | 0 | 111.6 | L121 P131 L132 | L121-E123 PolarHBondContact O-N 3.29Å; E123-P131 HydrophobicContact CB-CB 4Å; E123-P131 HydrophobicContact CG-CB 4.27Å; E123-P131 WeakPolarHBondContact OE2-CG 3.26Å; E123-L132 CarbonylContact C-O 3.59Å; E123-L132 VanDerWaalsContact CA-O 3.3Å; E123-L132 WeakPolarHBondContact CA-O 3.26Å |
| 124 | V | 85.4 | Confident | 87.4 | Confident | 5 Ų | 5 | 69.1 Ų | 69.1 | 3% | 0.03 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.9 | 176.7 | 178.9 | 0 | 0 | 0 | 0 | 107.7 | L48 A126 L132 Q134 L180 | L48-V124 HydrophobicContact CD2-CG2 4.01Å; V124-A126 PolarHBondContact O-N 2.03Å; V124-L132 HydrophobicContact CB-CB 4.45Å; V124-L132 PolarHBondContact N-O 3.43Å; V124-L132 PolarHBondContact O-N 3.45Å; V124-Q134 HydrophobicContact CG2-CG 3.39Å; V124-L180 HydrophobicContact CB-CD2 4.28Å; V124-L180 HydrophobicContact CG1-CD2 4.06Å; V124-L180 HydrophobicContact CG2-CB 4.2Å; V124-L180 HydrophobicContact CG2-CD2 3.94Å |
| 125 | P | 82.3 | Confident | 87.4 | Confident | 81 Ų | 81 | 59.7 Ų | 59.7 | 53% | 0.526 | 38% | 0.376 | S | S | . | . | trans | -65.1 | 123.3 | 175.2 | 26.2 | -31.8 | 0 | 0 | 0 | 109.6 | L31 | L31-P125 HydrophobicContact CD1-CG 4.44Š| ||
| 126 | A | 79.4 | Confident | 87.3 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 24% | 0.24 | 35% | 0.352 | C | S | . | . | trans | -94.1 | 138.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | V124 G128 G129 L132 | V124-A126 PolarHBondContact O-N 2.03Å; A126-G128 PolarHBondContact O-N 3.49Å; A126-G129 PolarHBondContact O-N 3.49Å; A126-L132 HydrophobicContact CB-CD1 4.17Å; A126-L132 HydrophobicContact CB-CG 4.11Å | ||
| 127 | A | 74.4 | Confident | 87.2 | Confident | 96 Ų | 96 | 52.9 Ų | 52.9 | 79% | 0.793 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 110.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | G129 | A127-G129 PolarHBondContact O-N 2.85Š|
| 128 | G | 66.3 | Low | 87 | Confident | 93 Ų | 93 | 46.6 Ų | 46.6 | 96% | 0.959 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 22.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116 | A126 | A126-G128 PolarHBondContact O-N 3.49Š|
| 129 | G | 74.3 | Confident | 86.8 | Confident | 43 Ų | 43 | 46.4 Ų | 46.4 | 44% | 0.443 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -151.7 | -178.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | A126 A127 | A126-G129 PolarHBondContact O-N 3.49Å; A127-G129 PolarHBondContact O-N 2.85Å |
| 130 | S | 80.6 | Confident | 86.5 | Confident | 60 Ų | 60 | 46.3 Ų | 46.3 | 42% | 0.42 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -63 | 148.5 | 174.5 | 53.7 | 0 | 0 | 0 | 0 | 112.2 | R50 | R50-S130 PolarHBondContact NE-OG 2.83Å; R50-S130 PolarHBondContact NH2-OG 2.84Å |
| 131 | P | 86.9 | Confident | 86.2 | Confident | 62 Ų | 62 | 47.3 Ų | 47.3 | 40% | 0.403 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -57 | 143.2 | -180 | 21.8 | -32.2 | 0 | 0 | 0 | 111.9 | E123 | E123-P131 HydrophobicContact CB-CB 4Å; E123-P131 HydrophobicContact CG-CB 4.27Å; E123-P131 WeakPolarHBondContact OE2-CG 3.26Å |
| 132 | L | 89.4 | Confident | 86 | Confident | 38 Ų | 38 | 50.5 Ų | 50.5 | 20% | 0.199 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 151.5 | 174.3 | -61.5 | 175.4 | 0 | 0 | 0 | 109.8 | L48 R50 E123 V124 A126 | L48-L132 HydrophobicContact CB-CB 4.41Å; L48-L132 HydrophobicContact CB-CD1 4.14Å; R50-L132 HydrophobicContact CG-CD2 3.68Å; E123-L132 CarbonylContact C-O 3.59Å; E123-L132 VanDerWaalsContact CA-O 3.3Å; E123-L132 WeakPolarHBondContact CA-O 3.26Å; V124-L132 HydrophobicContact CB-CB 4.45Å; V124-L132 PolarHBondContact N-O 3.43Å; V124-L132 PolarHBondContact O-N 3.45Å; A126-L132 HydrophobicContact CB-CD1 4.17Å; A126-L132 HydrophobicContact CB-CG 4.11Å |
| 133 | R | 90.1 | Very high | 85.7 | Confident | 128 Ų | 128 | 52 Ų | 52 | 48% | 0.483 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 149 | 172.3 | -65.9 | -172.1 | 174.3 | 177.8 | -1 | 111.2 | L48 S49 G122 Y135 | L48-R133 WeakPolarHBondContact CA-O 3.37Å; S49-R133 PolarHBondContact N-O 3.24Å; S49-R133 PolarHBondContact O-N 2.88Å; G122-R133 WeakPolarHBondContact O-CA 2.83Å; G122-R133 WeakPolarHBondContact O-CG 2.99Å; R133-Y135 HydrophobicContact CB-CE1 4.33Å; R133-Y135 HydrophobicContact CB-CE2 3.8Å |
| 134 | Q | 91.6 | Very high | 84.8 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 121.4 | 174 | -50.6 | -169.6 | 84.4 | 0 | 0 | 109.6 | L48 L121 V124 F136 L180 | L48-Q134 HydrophobicContact CD2-CB 4.21Å; L48-Q134 HydrophobicContact CD2-CG 3.62Å; L121-Q134 PolarHBondContact O-NE2 3.37Å; V124-Q134 HydrophobicContact CG2-CG 3.39Å; Q134-F136 HydrophobicContact CB-CE2 3.94Å; Q134-F136 HydrophobicContact CB-CZ 3.92Å; Q134-L180 PolarHBondContact NE2-O 3.24Å |
| 135 | Y | 92.4 | Very high | 83.4 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 1% | 0.012 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 137 | 175 | -58.4 | -74.3 | 0 | 0 | 0 | 110 | V46 V47 S49 G51 T52 P53 T105 R133 | V46-Y135 WeakPolarHBondContact CA-O 3.29Å; V47-Y135 PolarHBondContact N-O 2.75Å; V47-Y135 PolarHBondContact O-N 3.02Å; S49-Y135 WeakPolarHBondContact O-CE2 3.48Å; G51-Y135 VanDerWaalsContact O-CE2 3.27Å; G51-Y135 WeakPolarHBondContact O-CE2 3.45Å; T52-Y135 PolarHBondContact N-OH 2.9Å; P53-Y135 HydrophobicContact CG-CD2 4.36Å; T105-Y135 HydrophobicContact CG2-CD1 3.73Å; T105-Y135 HydrophobicContact CG2-CE1 3.76Å; R133-Y135 HydrophobicContact CB-CE1 4.33Å; R133-Y135 HydrophobicContact CB-CE2 3.8Å |
| 136 | F | 94.3 | Very high | 82 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.009 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 126 | -178.2 | -57.5 | -84.3 | 0 | 0 | 0 | 110.4 | R45 V46 W103 V104 R107 V120 Q134 E138 V177 A179 I193 I195 | R45-F136 CarbonylContact O-C 3.32Å; R45-F136 WeakPolarHBondContact O-CA 3.47Å; V46-F136 HydrophobicContact CG1-CD1 4.37Å; V46-F136 HydrophobicContact CG1-CE1 4.04Å; V46-F136 HydrophobicContact CG2-CD1 3.84Å; V46-F136 HydrophobicContact CG2-CE1 4Å; W103-F136 CarbonylContact C-O 3.48Å; W103-F136 WeakPolarHBondContact CA-O 3.27Å; V104-F136 HydrophobicContact CB-CB 4.45Å; V104-F136 PolarHBondContact N-O 3.14Å; V104-F136 PolarHBondContact O-N 2.84Å; R107-F136 HydrophobicContact CB-CD2 4.03Å; R107-F136 HydrophobicContact CB-CE2 4.25Å; R107-F136 HydrophobicContact CG-CD2 4.4Å; R107-F136 HydrophobicContact CG-CE2 4.42Å; V120-F136 HydrophobicContact CG1-CE2 3.76Å; V120-F136 HydrophobicContact CG1-CZ 3.77Å; Q134-F136 HydrophobicContact CB-CE2 3.94Å; Q134-F136 HydrophobicContact CB-CZ 3.92Å; F136-E138 HydrophobicContact CB-CG 4.3Å; F136-E138 PolarHBondContact O-N 3.5Å; F136-V177 HydrophobicContact CD1-CG2 4.14Å; F136-V177 HydrophobicContact CE1-CG2 4.29Å; F136-A179 HydrophobicContact CE1-CB 3.82Å; F136-A179 HydrophobicContact CZ-CB 3.84Å; F136-I193 HydrophobicContact CE1-CD1 3.86Å; F136-I193 HydrophobicContact CZ-CD1 4.1Å; F136-I195 HydrophobicContact CD1-CG2 4.22Å |
| 137 | F | 93.4 | Very high | 80.7 | Confident | 3 Ų | 3 | 63.6 Ų | 63.6 | 1% | 0.013 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 92.1 | 175.3 | -164.9 | -105.4 | 0 | 0 | 0 | 110.2 | R45 P56 P57 F60 A75 S101 W103 | R45-F137 HydrophobicContact CB-CB 4.1Å; R45-F137 HydrophobicContact CG-CB 4.37Å; R45-F137 PolarHBondContact NH1-O 2.92Å; R45-F137 PolarHBondContact O-N 2.98Å; P56-F137 HydrophobicContact CB-CE1 4.32Å; P56-F137 HydrophobicContact CB-CE2 3.76Å; P56-F137 HydrophobicContact CB-CZ 3.5Å; P57-F137 VanDerWaalsContact CD-CG 3.5Å; P57-F137 HydrophobicContact CG-CB 3.99Å; P57-F137 HydrophobicContact CG-CD1 3.91Å; P57-F137 HydrophobicContact CG-CD2 4.32Å; P57-F137 HydrophobicContact CG-CE1 4.5Å; P57-F137 HydrophobicContact CG-CG 3.8Å; F60-F137 AromaticContact CD1-CE1 3.82Å; F60-F137 HydrophobicContact CD1-CE1 3.82Å; F60-F137 HydrophobicContact CD2-CD1 4.3Å; F60-F137 HydrophobicContact CD2-CE1 4.14Å; F60-F137 HydrophobicContact CE1-CD1 4.3Å; F60-F137 AromaticContact CE1-CE1 3.92Å; F60-F137 HydrophobicContact CE1-CE1 3.92Å; F60-F137 HydrophobicContact CE2-CD1 4.08Å; F60-F137 HydrophobicContact CE2-CE1 4.26Å; F60-F137 AromaticContact CG-CE1 3.96Å; F60-F137 HydrophobicContact CG-CE1 3.96Å; F60-F137 HydrophobicContact CZ-CD1 4.11Å; F60-F137 HydrophobicContact CZ-CE1 4.18Å; A75-F137 HydrophobicContact CB-CZ 3.96Å; S101-F137 VanDerWaalsContact CB-CZ 3.46Å; W103-F137 HydrophobicContact CD2-CB 4.29Å; W103-F137 AromaticContact CD2-CD2 3.8Å; W103-F137 HydrophobicContact CD2-CD2 3.8Å; W103-F137 AromaticContact CE2-CD2 3.72Å; W103-F137 HydrophobicContact CE3-CB 3.9Å; W103-F137 HydrophobicContact CE3-CD2 4.27Å; W103-F137 HydrophobicContact CG-CD2 4.1Å; W103-F137 HydrophobicContact CH2-CB 3.98Å; W103-F137 HydrophobicContact CZ2-CB 4.36Å; W103-F137 HydrophobicContact CZ2-CD2 4.14Å; W103-F137 HydrophobicContact CZ3-CB 3.74Å; W103-F137 AromaticContact NE1-CD2 3.93Å |
| 138 | E | 93.9 | Very high | 79.5 | Confident | 4 Ų | 4 | 67.5 Ų | 67.5 | 2% | 0.019 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 149.2 | -178.2 | -62.5 | -168.5 | -170.6 | 0 | 0 | 111.3 | S101 G102 V104 R107 F136 R140 I195 D196 | S101-E138 CarbonylContact C-O 3.59Å; S101-E138 WeakPolarHBondContact CA-O 3.42Å; G102-E138 PolarHBondContact N-O 2.9Å; G102-E138 PolarHBondContact O-N 2.75Å; V104-E138 HydrophobicContact CG2-CB 3.89Å; V104-E138 HydrophobicContact CG2-CG 3.69Å; R107-E138 IonicContact CZ-OE1 3.93Å; R107-E138 VanDerWaalsContact CZ-OE1 3.24Å; R107-E138 IonicContact NE-OE1 3.87Å; R107-E138 PolarHBondContact NE-OE1 2.82Å; R107-E138 VanDerWaalsContact NE-OE1 3.11Å; R107-E138 IonicContact NH1-OE1 3.48Å; R107-E138 IonicContact NH2-OE1 3.24Å; R107-E138 PolarHBondContact NH2-OE1 3.24Å; F136-E138 HydrophobicContact CB-CG 4.3Å; F136-E138 PolarHBondContact O-N 3.5Å; E138-R140 IonicContact OE2-CZ 2.83Å; E138-R140 IonicContact OE2-NE 3.65Å; E138-R140 PolarHBondContact OE2-NE 2.88Å; E138-R140 VanDerWaalsContact OE2-NE 3.13Å; E138-R140 IonicContact OE2-NH2 3.11Å; E138-R140 PolarHBondContact OE2-NH2 2.99Å; E138-I195 HydrophobicContact CG-CB 4.19Å; E138-D196 CarbonylContact C-O 3.58Å; E138-D196 VanDerWaalsContact CA-O 3.26Å; E138-D196 WeakPolarHBondContact CA-O 3.35Å |
| 139 | T | 91.7 | Very high | 78.9 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 114.5 | 172.6 | -55.1 | 0 | 0 | 0 | 0 | 108.6 | R45 A99 V100 S101 D196 T197 A198 | R45-T139 PolarHBondContact NH1-OG1 3.22Å; A99-T139 HydrophobicContact CB-CG2 3.86Å; V100-T139 CarbonylContact O-C 3.58Å; V100-T139 WeakPolarHBondContact O-CA 3.22Å; S101-T139 WeakPolarHBondContact CB-OG1 3.36Å; S101-T139 VanDerWaalsContact OG-CG2 3.29Å; S101-T139 WeakPolarHBondContact OG-CG2 3.38Å; S101-T139 PolarHBondContact OG-OG1 3.31Å; T139-D196 PolarHBondContact N-O 3.31Å; T139-D196 CarbonylContact O-C 3.56Å; T139-D196 WeakPolarHBondContact O-CB 3.2Å; T139-T197 WeakPolarHBondContact CB-O 3.41Å; T139-A198 PolarHBondContact O-N 3.08Å |
| 140 | R | 91.4 | Very high | 78.2 | Confident | 122 Ų | 122 | 64 Ų | 64 | 46% | 0.46 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 160.1 | -178.3 | -59.2 | -173.2 | -175.3 | 171.5 | 2.2 | 110.9 | A99 V100 E138 D196 | A99-R140 CarbonylContact C-O 3.59Å; A99-R140 VanDerWaalsContact CA-O 3.27Å; A99-R140 WeakPolarHBondContact CA-O 3.49Å; V100-R140 PolarHBondContact N-O 2.88Å; V100-R140 PolarHBondContact O-N 2.88Å; E138-R140 IonicContact OE2-CZ 2.83Å; E138-R140 IonicContact OE2-NE 3.65Å; E138-R140 PolarHBondContact OE2-NE 2.88Å; E138-R140 VanDerWaalsContact OE2-NE 3.13Å; E138-R140 IonicContact OE2-NH2 3.11Å; E138-R140 PolarHBondContact OE2-NH2 2.99Å; R140-D196 HydrophobicContact CG-CB 4.08Å; R140-D196 IonicContact NE-OD2 3.81Å |
| 141 | C | 90.2 | Very high | 77.2 | Confident | 27 Ų | 27 | 64.3 Ų | 64.3 | 18% | 0.182 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 136 | 168.9 | -64.4 | 0 | 0 | 0 | 0 | 109.8 | A143 K171 A172 C199 | C141-A143 PolarHBondContact O-N 3.04Å; C141-K171 PolarHBondContact SG-O 3.48Å; C141-A172 PolarHBondContact SG-N 3.01Å; C141-C199 WeakPolarHBondContact CA-SG 3.22Å; C141-C199 HydrophobicContact CB-CB 3.9Å; C141-C199 WeakPolarHBondContact CB-SG 3.39Å; C141-C199 WeakPolarHBondContact SG-CB 3.37Å; C141-C199 CovalentContact SG-SG 2.03Å; C141-C199 PolarHBondContact SG-SG 2.72Å |
| 142 | K | 87.4 | Confident | 76.1 | Confident | 103 Ų | 103 | 61.4 Ų | 61.4 | 45% | 0.448 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 122.2 | 173.9 | -174.9 | -177.9 | 174.4 | -168.3 | 0 | 108 | D98 V100 G153 G154 | D98-K142 HydrophobicContact CB-CB 3.91Å; D98-K142 HydrophobicContact CB-CD 4.05Å; D98-K142 PolarHBondContact O-N 3.1Å; V100-K142 HydrophobicContact CG2-CB 3.99Å; V100-K142 HydrophobicContact CG2-CG 4.04Å; K142-G153 CarbonylContact O-C 3.58Å; K142-G154 PolarHBondContact O-N 2.81Å |
| 143 | A | 79.3 | Confident | 75.1 | Confident | 81 Ų | 81 | 59.8 Ų | 59.8 | 67% | 0.669 | 33% | 0.327 | S | S | * | . | B | Isolated β-bridge | trans | -60.2 | 140.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | C141 S145 | C141-A143 PolarHBondContact O-N 3.04Å; A143-S145 PolarHBondContact O-N 3.04Å |
| 144 | D | 66.9 | Low | 73.7 | Confident | 48 Ų | 48 | 54.9 Ų | 54.9 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 121.9 | 170.4 | -93 | -42 | 0 | 0 | 0 | 109.4 | T146 G149 G150 G153 | D144-T146 VanDerWaalsContact C-N 3.25Å; D144-G149 VanDerWaalsContact OD2-CA 3.31Å; D144-G149 WeakPolarHBondContact OD2-CA 3.35Å; D144-G150 PolarHBondContact OD1-N 3Å; D144-G150 PolarHBondContact OD2-N 3.34Å; D144-G153 WeakPolarHBondContact OD1-CA 3Å; D144-G153 WeakPolarHBondContact OD2-CA 3.45Å |
| 145 | S | 54.8 | Low | 72.2 | Confident | 121 Ų | 121 | 57 Ų | 57 | 85% | 0.846 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -85.1 | 2.4 | 176.7 | 55.3 | 0 | 0 | 0 | 0 | 113.1 | A143 | A143-S145 PolarHBondContact O-N 3.04Š|
| 146 | T | 54 | Low | 71.2 | Confident | 81 Ų | 81 | 57.3 Ų | 57.3 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -122.5 | 131.8 | -177.4 | 24.5 | 0 | 0 | 0 | 0 | 109.4 | D144 E148 G149 | D144-T146 VanDerWaalsContact C-N 3.25Å; T146-E148 WeakPolarHBondContact CB-O 3.03Å; T146-E148 CarbonylContact O-C 3.44Å; T146-E148 VanDerWaalsContact O-C 3.32Å; T146-E148 PolarHBondContact O-N 3.45Å; T146-E148 PolarHBondContact OG1-O 2.76Å; T146-G149 PolarHBondContact O-N 3.41Å |
| 147 | E | 51.3 | Low | 70.7 | Confident | 211 Ų | 211 | 58.3 Ų | 58.3 | 99% | 0.986 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -61.5 | -22.6 | 179.3 | -60.7 | -160.9 | 162.3 | 0 | 0 | 112.8 | ||
| 148 | E | 50.2 | Low | 70.6 | Confident | 179 Ų | 179 | 58.2 Ų | 58.2 | 84% | 0.836 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -92.3 | 97.2 | 157.3 | -72.7 | -175.6 | 144.6 | 0 | 0 | 108.5 | T146 G150 | T146-E148 WeakPolarHBondContact CB-O 3.03Å; T146-E148 CarbonylContact O-C 3.44Å; T146-E148 VanDerWaalsContact O-C 3.32Å; T146-E148 PolarHBondContact O-N 3.45Å; T146-E148 PolarHBondContact OG1-O 2.76Å; E148-G150 PolarHBondContact O-N 3.35Å; E148-G150 VanDerWaalsContact O-N 3.1Å |
| 149 | G | 53.3 | Low | 70.3 | Confident | 42 Ų | 42 | 61 Ų | 61 | 43% | 0.433 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -47.9 | 117.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.5 | D144 T146 | D144-G149 VanDerWaalsContact OD2-CA 3.31Å; D144-G149 WeakPolarHBondContact OD2-CA 3.35Å; T146-G149 PolarHBondContact O-N 3.41Å |
| 150 | G | 58.4 | Low | 70.2 | Confident | 20 Ų | 20 | 65 Ų | 65 | 21% | 0.206 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 151.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | D144 E148 G152 G153 | D144-G150 PolarHBondContact OD1-N 3Å; D144-G150 PolarHBondContact OD2-N 3.34Å; E148-G150 PolarHBondContact O-N 3.35Å; E148-G150 VanDerWaalsContact O-N 3.1Å; G150-G152 PolarHBondContact O-N 2.97Å; G150-G152 VanDerWaalsContact O-N 3.08Å; G150-G153 PolarHBondContact O-N 3.43Å; G150-G153 VanDerWaalsContact O-N 3.15Å |
| 151 | P | 60.7 | Low | 70.3 | Confident | 67 Ų | 67 | 60.7 Ų | 60.7 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 119.1 | 179.9 | 21.6 | -30.3 | 0 | 0 | 0 | 111.7 | G157 R159 | P151-G157 WeakPolarHBondContact CA-O 3.44Å; P151-R159 PolarHBondContact O-NH2 3.23Å; P151-R159 VanDerWaalsContact O-NH2 3.14Å |
| 152 | G | 62.9 | Low | 70.4 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97 | 0.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | V96 C97 D98 G150 G157 | V96-G152 WeakPolarHBondContact O-CA 3.42Å; C97-G152 CarbonylContact C-O 3.44Å; C97-G152 WeakPolarHBondContact CA-O 3.4Å; D98-G152 PolarHBondContact N-O 2.87Å; G150-G152 PolarHBondContact O-N 2.97Å; G150-G152 VanDerWaalsContact O-N 3.08Å; G152-G157 PolarHBondContact N-O 2.02Å |
| 153 | G | 69.6 | Low | 70.5 | Confident | 4 Ų | 4 | 65 Ų | 65 | 4% | 0.041 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -79.9 | 165 | 169 | 0 | 0 | 0 | 0 | 0 | 113.4 | K142 D144 G150 G155 G156 C170 | K142-G153 CarbonylContact O-C 3.58Å; D144-G153 WeakPolarHBondContact OD1-CA 3Å; D144-G153 WeakPolarHBondContact OD2-CA 3.45Å; G150-G153 PolarHBondContact O-N 3.43Å; G150-G153 VanDerWaalsContact O-N 3.15Å; G153-G155 PolarHBondContact O-N 2.88Å; G153-G156 PolarHBondContact O-N 2.94Å; G153-G156 VanDerWaalsContact O-N 3.14Å; G153-C170 WeakPolarHBondContact O-CB 3.42Å |
| 154 | G | 60.1 | Low | 71 | Confident | 25 Ų | 25 | 70.9 Ų | 70.9 | 26% | 0.258 | 41% | 0.414 | S | S | . | . | B | Isolated β-bridge | trans | -66.7 | 124.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K142 G156 | K142-G154 PolarHBondContact O-N 2.81Å; G154-G156 PolarHBondContact O-N 2.79Å |
| 155 | G | 60.4 | Low | 72.2 | Confident | 55 Ų | 55 | 73.3 Ų | 73.3 | 57% | 0.567 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | -14.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G153 C170 | G153-G155 PolarHBondContact O-N 2.88Å; G155-C170 PolarHBondContact N-O 2.97Å |
| 156 | G | 70.8 | Confident | 74 | Confident | 8 Ų | 8 | 72.6 Ų | 72.6 | 8% | 0.082 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -83.6 | 168.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G153 G154 C170 | G153-G156 PolarHBondContact O-N 2.94Å; G153-G156 VanDerWaalsContact O-N 3.14Å; G154-G156 PolarHBondContact O-N 2.79Å; G156-C170 PolarHBondContact O-N 2.98Å |
| 157 | G | 84.3 | Confident | 75.8 | Confident | 23 Ų | 23 | 72.6 Ų | 72.6 | 24% | 0.237 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 137.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | P151 G152 S168 | P151-G157 WeakPolarHBondContact CA-O 3.44Å; G152-G157 PolarHBondContact N-O 2.02Å; G157-S168 WeakPolarHBondContact CA-O 3.37Å |
| 158 | C | 90.8 | Very high | 77.8 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.007 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 144.6 | -177.5 | -55.5 | 0 | 0 | 0 | 0 | 113.1 | V96 G160 V161 S168 C201 | V96-C158 HydrophobicContact CG1-CB 3.6Å; C158-G160 PolarHBondContact O-N 2.99Å; C158-V161 HydrophobicContact CB-CB 4.38Å; C158-V161 HydrophobicContact CB-CG2 3.58Å; C158-S168 PolarHBondContact N-OG 2.75Å; C158-C201 HydrophobicContact CB-CB 3.85Å; C158-C201 WeakPolarHBondContact CB-SG 3.06Å; C158-C201 WeakPolarHBondContact SG-CA 3.49Å; C158-C201 WeakPolarHBondContact SG-CB 3.25Å; C158-C201 CovalentContact SG-SG 2.02Å; C158-C201 PolarHBondContact SG-SG 2.67Å |
| 159 | R | 89 | Confident | 79.7 | Confident | 64 Ų | 64 | 58.5 Ų | 58.5 | 24% | 0.242 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 130.8 | 177.8 | -176.3 | 180 | -59.7 | 136.9 | 4.6 | 111.2 | A95 V96 D98 P151 V161 | A95-R159 WeakPolarHBondContact O-CD 3.04Å; A95-R159 PolarHBondContact O-NH1 3.48Å; V96-R159 WeakPolarHBondContact O-CB 3.48Å; V96-R159 PolarHBondContact O-N 3.13Å; D98-R159 IonicContact OD1-CZ 3.93Å; D98-R159 IonicContact OD1-NH1 3.27Å; D98-R159 PolarHBondContact OD1-NH1 2.77Å; D98-R159 IonicContact OD1-NH2 3.38Å; D98-R159 PolarHBondContact OD1-NH2 3.32Å; D98-R159 IonicContact OD2-CZ 2.82Å; D98-R159 IonicContact OD2-NH1 3.03Å; D98-R159 IonicContact OD2-NH2 3.32Å; D98-R159 PolarHBondContact OD2-NH2 3.21Å; P151-R159 PolarHBondContact O-NH2 3.23Å; P151-R159 VanDerWaalsContact O-NH2 3.14Å; R159-V161 VanDerWaalsContact C-N 3.28Å; R159-V161 PolarHBondContact O-N 2.03Å |
| 160 | G | 89.5 | Confident | 81.5 | Confident | 84 Ų | 84 | 56.7 Ų | 56.7 | 87% | 0.866 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 0.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | C158 | C158-G160 PolarHBondContact O-N 2.99Š|
| 161 | V | 92.3 | Very high | 83.1 | Confident | 30 Ų | 30 | 60 Ų | 60 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | trans | -78 | 135 | 175 | 175 | 0 | 0 | 0 | 0 | 110.8 | C158 R159 R163 W166 L203 | C158-V161 HydrophobicContact CB-CB 4.38Å; C158-V161 HydrophobicContact CB-CG2 3.58Å; R159-V161 VanDerWaalsContact C-N 3.28Å; R159-V161 PolarHBondContact O-N 2.03Å; V161-R163 PolarHBondContact O-N 2.91Å; V161-R163 VanDerWaalsContact O-N 3.07Å; V161-W166 HydrophobicContact CG1-CB 3.71Å; V161-W166 HydrophobicContact CG1-CG 4.36Å; V161-L203 HydrophobicContact CB-CD2 4.4Å; V161-L203 HydrophobicContact CG1-CD2 3.69Å; V161-L203 HydrophobicContact CG2-CD2 3.79Å | ||
| 162 | D | 92.3 | Very high | 84.6 | Confident | 70 Ų | 70 | 59 Ų | 59 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | trans | -71.8 | 100.9 | 174.8 | -175.9 | 2.1 | 0 | 0 | 0 | 111.7 | R164 H165 W166 | D162-R164 PolarHBondContact O-N 3.37Å; D162-R164 VanDerWaalsContact OD1-CB 3.22Å; D162-R164 WeakPolarHBondContact OD1-CB 3.49Å; D162-R164 WeakPolarHBondContact OD1-CG 3.45Å; D162-R164 PolarHBondContact OD1-N 2.77Å; D162-H165 PolarHBondContact O-N 3.37Å; D162-H165 IonicContact OD2-CE1 3.96Å; D162-H165 PolarHBondContact OD2-CE1 3.15Å; D162-H165 IonicContact OD2-CG 2.79Å; D162-H165 IonicContact OD2-ND1 3.27Å; D162-H165 PolarHBondContact OD2-ND1 2.98Å; D162-W166 PolarHBondContact O-N 3.08Å | ||
| 163 | R | 88.9 | Confident | 86.1 | Confident | 150 Ų | 150 | 64.8 Ų | 64.8 | 57% | 0.566 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -13.1 | 180 | -59.5 | -176.4 | -178.9 | 126.5 | -6.4 | 114 | V161 H165 W166 R206 | V161-R163 PolarHBondContact O-N 2.91Å; V161-R163 VanDerWaalsContact O-N 3.07Å; R163-H165 VanDerWaalsContact C-N 3.34Å; R163-W166 WeakPolarHBondContact CA-O 3.26Å; R163-R206 PolarHBondContact O-NH1 2.91Å |
| 164 | R | 90.1 | Very high | 87.3 | Confident | 206 Ų | 206 | 69 Ų | 69 | 78% | 0.777 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -36.4 | 174.7 | -61.7 | 178.8 | 178.7 | -170.2 | 0.4 | 111.1 | D162 | D162-R164 PolarHBondContact O-N 3.37Å; D162-R164 VanDerWaalsContact OD1-CB 3.22Å; D162-R164 WeakPolarHBondContact OD1-CB 3.49Å; D162-R164 WeakPolarHBondContact OD1-CG 3.45Å; D162-R164 PolarHBondContact OD1-N 2.77Å |
| 165 | H | 91.8 | Very high | 88.9 | Confident | 99 Ų | 99 | 70.6 Ų | 70.6 | 46% | 0.458 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -23.2 | -174.2 | -57.5 | 107.2 | 0 | 0 | 0 | 113.1 | D162 R163 R206 | D162-H165 PolarHBondContact O-N 3.37Å; D162-H165 IonicContact OD2-CE1 3.96Å; D162-H165 PolarHBondContact OD2-CE1 3.15Å; D162-H165 IonicContact OD2-CG 2.79Å; D162-H165 IonicContact OD2-ND1 3.27Å; D162-H165 PolarHBondContact OD2-ND1 2.98Å; R163-H165 VanDerWaalsContact C-N 3.34Å; H165-R206 WeakPolarHBondContact O-CB 3.5Å; H165-R206 PolarHBondContact O-N 3.01Å |
| 166 | W | 93.2 | Very high | 90.5 | Very high | 106 Ų | 106 | 72.1 Ų | 72.1 | 40% | 0.402 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 138.8 | -171.2 | -56.3 | 95.8 | 0 | 0 | 0 | 112.7 | V161 D162 R163 L203 L204 | V161-W166 HydrophobicContact CG1-CB 3.71Å; V161-W166 HydrophobicContact CG1-CG 4.36Å; D162-W166 PolarHBondContact O-N 3.08Å; R163-W166 WeakPolarHBondContact CA-O 3.26Å; W166-L203 HydrophobicContact CB-CD2 4.45Å; W166-L203 HydrophobicContact CE3-CB 3.91Å; W166-L203 HydrophobicContact CZ3-CB 4.39Å; W166-L204 CarbonylContact C-O 3.58Å; W166-L204 WeakPolarHBondContact CA-O 3.4Å |
| 167 | V | 92.1 | Very high | 91.7 | Very high | 81 Ų | 81 | 71.8 Ų | 71.8 | 49% | 0.491 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 129.2 | 158.4 | -177.9 | 0 | 0 | 0 | 0 | 106.8 | L203 L204 R206 | V167-L203 CarbonylContact O-C 3.55Å; V167-L204 HydrophobicContact CB-CB 4.32Å; V167-L204 PolarHBondContact N-O 3.02Å; V167-L204 PolarHBondContact O-N 3.5Å; V167-R206 HydrophobicContact CG2-CG 3.83Å |
| 168 | S | 92.7 | Very high | 92.1 | Very high | 17 Ų | 17 | 74 Ų | 74 | 12% | 0.119 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 150.7 | -175.7 | 66.1 | 0 | 0 | 0 | 0 | 112.4 | G157 C158 T202 | G157-S168 WeakPolarHBondContact CA-O 3.37Å; C158-S168 PolarHBondContact N-OG 2.75Å; S168-T202 CarbonylContact C-O 3.55Å; S168-T202 WeakPolarHBondContact CA-O 3.36Å |
| 169 | E | 91.4 | Very high | 92.2 | Very high | 76 Ų | 76 | 74 Ų | 74 | 36% | 0.355 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 131.7 | -177.8 | -167.3 | -173.5 | 158.8 | 0 | 0 | 110.8 | K171 T202 | E169-K171 HydrophobicContact CG-CG 4.31Å; E169-K171 WeakPolarHBondContact OE1-CE 3.27Å; E169-K171 IonicContact OE1-NZ 3.84Å; E169-K171 WeakPolarHBondContact OE2-CE 3.17Å; E169-K171 IonicContact OE2-NZ 3.83Å; E169-K171 PolarHBondContact OE2-NZ 3.27Å; E169-T202 PolarHBondContact N-O 3.14Å; E169-T202 PolarHBondContact O-N 2.96Å; E169-T202 PolarHBondContact O-OG1 2.71Å |
| 170 | C | 91.4 | Very high | 92.4 | Very high | 4 Ų | 4 | 71.6 Ų | 71.6 | 3% | 0.027 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 117.1 | 173.3 | -69 | 0 | 0 | 0 | 0 | 111.3 | C97 G153 G155 G156 V200 | C97-C170 VanDerWaalsContact CA-SG 3.6Å; C97-C170 HydrophobicContact CB-CB 3.74Å; C97-C170 WeakPolarHBondContact CB-SG 3.37Å; C97-C170 VanDerWaalsContact SG-CA 3.51Å; C97-C170 WeakPolarHBondContact SG-CB 3.31Å; C97-C170 CovalentContact SG-SG 2.03Å; C97-C170 PolarHBondContact SG-SG 2.84Å; G153-C170 WeakPolarHBondContact O-CB 3.42Å; G155-C170 PolarHBondContact N-O 2.97Å; G156-C170 PolarHBondContact O-N 2.98Å; C170-V200 CarbonylContact C-O 3.57Å; C170-V200 WeakPolarHBondContact CA-O 3.01Å |
| 171 | K | 91.8 | Very high | 92.7 | Very high | 90 Ų | 90 | 67.6 Ų | 67.6 | 39% | 0.391 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 148.9 | -178 | -66.4 | -168.5 | 176.7 | 173.7 | 0 | 112.8 | C141 E169 K173 C199 V200 T202 | C141-K171 PolarHBondContact SG-O 3.48Å; E169-K171 HydrophobicContact CG-CG 4.31Å; E169-K171 WeakPolarHBondContact OE1-CE 3.27Å; E169-K171 IonicContact OE1-NZ 3.84Å; E169-K171 WeakPolarHBondContact OE2-CE 3.17Å; E169-K171 IonicContact OE2-NZ 3.83Å; E169-K171 PolarHBondContact OE2-NZ 3.27Å; K171-K173 PolarHBondContact O-N 2.87Å; K171-C199 WeakPolarHBondContact O-CA 3.48Å; K171-V200 PolarHBondContact N-O 3.08Å; K171-V200 PolarHBondContact O-N 2.79Å; K171-T202 HydrophobicContact CB-CG2 4.41Å; K171-T202 HydrophobicContact CD-CG2 4.2Å; K171-T202 HydrophobicContact CG-CG2 4.4Å |
| 172 | A | 92.2 | Very high | 92.9 | Very high | 46 Ų | 46 | 66.6 Ų | 66.6 | 38% | 0.38 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 128.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | C141 D196 A198 | C141-A172 PolarHBondContact SG-N 3.01Å; A172-D196 HydrophobicContact CB-CB 4.4Å; A172-A198 CarbonylContact C-O 3.59Å; A172-A198 WeakPolarHBondContact CA-O 3.38Å |
| 173 | K | 94.4 | Very high | 93 | Very high | 121 Ų | 121 | 63.9 Ų | 63.9 | 53% | 0.526 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 127.1 | 170.4 | -178 | -174.9 | 178.6 | -178.4 | 0 | 109.2 | K171 T197 A198 V200 | K171-K173 PolarHBondContact O-N 2.87Å; K173-T197 PolarHBondContact O-N 2.88Å; K173-T197 PolarHBondContact O-OG1 3.29Å; K173-A198 HydrophobicContact CB-CB 4.27Å; K173-A198 PolarHBondContact N-O 3.14Å; K173-A198 PolarHBondContact O-N 3Å; K173-V200 HydrophobicContact CB-CG1 3.91Å; K173-V200 HydrophobicContact CB-CG2 4.04Å; K173-V200 HydrophobicContact CD-CG1 4.1Å |
| 174 | Q | 95.2 | Very high | 93.2 | Very high | 94 Ų | 94 | 61.2 Ų | 61.2 | 44% | 0.439 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 149.8 | 179 | -61.3 | -171.5 | -36.1 | 0 | 0 | 111.8 | R194 I195 D196 | Q174-R194 HydrophobicContact CB-CB 4.38Å; Q174-R194 VanDerWaalsContact OE1-CD 3.24Å; Q174-I195 VanDerWaalsContact CA-O 3.26Å; Q174-I195 WeakPolarHBondContact CA-O 3.43Å; Q174-D196 VanDerWaalsContact CG-OD1 3.26Å; Q174-D196 WeakPolarHBondContact CG-OD1 3.17Å; Q174-D196 PolarHBondContact NE2-OD1 2.82Å |
| 175 | S | 93.4 | Very high | 93.4 | Very high | 57 Ų | 57 | 57.2 Ų | 57.2 | 40% | 0.399 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 159.7 | 169.2 | -169.7 | 0 | 0 | 0 | 0 | 109.5 | R194 I195 | S175-R194 WeakPolarHBondContact O-CA 3.29Å; S175-I195 PolarHBondContact N-O 3.22Å; S175-I195 PolarHBondContact O-N 3.13Å |
| 176 | Y | 94.3 | Very high | 93.4 | Very high | 87 Ų | 87 | 55 Ų | 55 | 34% | 0.341 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 138.7 | 177.2 | -68.7 | -79.8 | 0 | 0 | 0 | 111.8 | L113 W192 I193 R194 | L113-Y176 HydrophobicContact CB-CD1 4.48Å; L113-Y176 HydrophobicContact CB-CE1 4.18Å; L113-Y176 HydrophobicContact CD1-CD1 3.99Å; L113-Y176 HydrophobicContact CD1-CD2 3.8Å; L113-Y176 HydrophobicContact CD1-CE1 3.77Å; L113-Y176 HydrophobicContact CD1-CE2 3.56Å; L113-Y176 HydrophobicContact CD1-CG 4Å; Y176-W192 HydrophobicContact CD1-CB 4.2Å; Y176-I193 CarbonylContact C-O 3.54Å; Y176-I193 VanDerWaalsContact CA-O 3.29Å; Y176-I193 WeakPolarHBondContact CA-O 3.44Å; Y176-R194 HydrophobicContact CD1-CB 4.19Å; Y176-R194 HydrophobicContact CE1-CB 3.9Å |
| 177 | V | 93.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 156.6 | 170.5 | -61.9 | 0 | 0 | 0 | 0 | 110.1 | S43 R45 V46 F136 W192 I193 I195 | S43-V177 WeakPolarHBondContact OG-CG1 3.43Å; R45-V177 HydrophobicContact CB-CG1 4.44Å; V46-V177 HydrophobicContact CG2-CB 3.59Å; V46-V177 HydrophobicContact CG2-CG1 4.16Å; V46-V177 HydrophobicContact CG2-CG2 3.67Å; F136-V177 HydrophobicContact CD1-CG2 4.14Å; F136-V177 HydrophobicContact CE1-CG2 4.29Å; V177-W192 VanDerWaalsContact C-CE3 3.46Å; V177-W192 WeakPolarHBondContact O-CA 3.45Å; V177-I193 HydrophobicContact CG2-CD1 4.49Å; V177-I193 HydrophobicContact CG2-CG1 3.93Å; V177-I193 PolarHBondContact N-O 3.13Å; V177-I193 PolarHBondContact O-N 3.12Å; V177-I195 HydrophobicContact CB-CD1 4.34Å; V177-I195 HydrophobicContact CB-CG1 4.46Å; V177-I195 HydrophobicContact CG1-CD1 3.5Å; V177-I195 HydrophobicContact CG1-CG1 3.77Å; V177-I195 HydrophobicContact CG2-CB 4.47Å; V177-I195 HydrophobicContact CG2-CD1 3.89Å; V177-I195 HydrophobicContact CG2-CG1 3.86Å; V177-I195 HydrophobicContact CG2-CG2 3.8Å |
| 178 | R | 93 | Very high | 93.5 | Very high | 71 Ų | 71 | 56.8 Ų | 56.8 | 27% | 0.268 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 130.3 | 179.4 | -156.3 | 152 | -163.4 | -173.7 | 5.1 | 110.3 | E38 W190 R191 W192 | E38-R178 IonicContact OE1-CZ 2.75Å; E38-R178 IonicContact OE1-NH1 3.73Å; E38-R178 PolarHBondContact OE1-NH1 2.68Å; E38-R178 IonicContact OE2-NH1 2.75Å; R178-W190 HydrophobicContact CG-CB 4.4Å; R178-W190 HydrophobicContact CG-CE3 4.02Å; R178-R191 WeakPolarHBondContact CA-O 3.49Å; R178-W192 HydrophobicContact CB-CE3 4.46Å; R178-W192 HydrophobicContact CB-CZ3 4.37Å |
| 179 | A | 93.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 150.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | F136 T181 W190 R191 I193 | F136-A179 HydrophobicContact CE1-CB 3.82Å; F136-A179 HydrophobicContact CZ-CB 3.84Å; A179-T181 HydrophobicContact CB-CG2 4.16Å; A179-W190 VanDerWaalsContact C-CE3 3.42Å; A179-W190 WeakPolarHBondContact O-CA 2.99Å; A179-R191 PolarHBondContact N-O 3.38Å; A179-R191 PolarHBondContact O-N 3.23Å; A179-I193 HydrophobicContact CB-CD1 3.49Å; A179-I193 VanDerWaalsContact CB-CD1 3.49Å; A179-I193 HydrophobicContact CB-CG1 3.77Å |
| 180 | L | 93.4 | Very high | 93.5 | Very high | 13 Ų | 13 | 57.4 Ų | 57.4 | 7% | 0.068 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 121.7 | 168.6 | -168.3 | 70.4 | 0 | 0 | 0 | 108.9 | L121 V124 Q134 V188 W190 | L121-L180 HydrophobicContact CD1-CG 4.46Å; L121-L180 HydrophobicContact CD2-CD2 3.95Å; L121-L180 HydrophobicContact CD2-CG 4.29Å; L121-L180 PolarHBondContact N-O 3.25Å; L121-L180 VanDerWaalsContact N-O 3.16Å; V124-L180 HydrophobicContact CB-CD2 4.28Å; V124-L180 HydrophobicContact CG1-CD2 4.06Å; V124-L180 HydrophobicContact CG2-CB 4.2Å; V124-L180 HydrophobicContact CG2-CD2 3.94Å; Q134-L180 PolarHBondContact NE2-O 3.24Å; L180-V188 HydrophobicContact CD1-CG1 3.86Å; L180-V188 HydrophobicContact CD2-CG1 4.26Å; L180-V188 HydrophobicContact CG-CG1 3.99Å; L180-W190 HydrophobicContact CB-CE3 4.32Å; L180-W190 HydrophobicContact CB-CH2 4.25Å; L180-W190 HydrophobicContact CB-CZ2 4.47Å; L180-W190 HydrophobicContact CB-CZ3 4.2Å; L180-W190 HydrophobicContact CD1-CD2 4.24Å; L180-W190 HydrophobicContact CD1-CG 4.39Å |
| 181 | T | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 157.2 | -173.9 | 60.3 | 0 | 0 | 0 | 0 | 111.5 | V118 E119 V120 L121 A179 V188 G189 R191 I193 | V118-T181 HydrophobicContact CG2-CG2 3.97Å; E119-T181 CarbonylContact O-C 3.56Å; E119-T181 WeakPolarHBondContact O-CA 3.5Å; E119-T181 WeakPolarHBondContact O-CB 3.4Å; V120-T181 HydrophobicContact CG2-CG2 4.24Å; L121-T181 VanDerWaalsContact CD1-CA 3.42Å; A179-T181 HydrophobicContact CB-CG2 4.16Å; T181-V188 CarbonylContact O-C 3.56Å; T181-V188 WeakPolarHBondContact O-CA 3.47Å; T181-G189 PolarHBondContact N-O 3.43Å; T181-G189 PolarHBondContact O-N 2.7Å; T181-G189 VanDerWaalsContact O-O 3.12Å; T181-G189 PolarHBondContact OG1-O 3.21Å; T181-R191 WeakPolarHBondContact OG1-CB 3.35Å; T181-R191 VanDerWaalsContact OG1-CD 3.29Å; T181-R191 WeakPolarHBondContact OG1-CD 3.34Å; T181-R191 VanDerWaalsContact OG1-CG 3.3Å; T181-R191 WeakPolarHBondContact OG1-CG 3.39Å; T181-I193 HydrophobicContact CG2-CG2 3.76Å |
| 182 | A | 95.9 | Very high | 93.7 | Very high | 10 Ų | 10 | 60 Ų | 60 | 8% | 0.083 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 133.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | E119 L121 V188 | E119-A182 HydrophobicContact CB-CB 4.37Å; E119-A182 PolarHBondContact N-O 3.18Å; E119-A182 PolarHBondContact O-N 2.94Å; L121-A182 HydrophobicContact CD1-CB 4.01Å; L121-A182 VanDerWaalsContact CD1-N 3.26Å; A182-V188 HydrophobicContact CB-CG2 4.3Å |
| 183 | D | 94.6 | Very high | 93.9 | Very high | 12 Ų | 12 | 57.9 Ų | 57.9 | 6% | 0.064 | 30% | 0.296 | C | S | . | . | trans | -80.7 | 176.1 | 171.1 | 68.4 | 15.8 | 0 | 0 | 0 | 111.7 | Q185 G186 R187 R191 | D183-Q185 PolarHBondContact O-N 2.7Å; D183-Q185 WeakPolarHBondContact OD1-CA 2.89Å; D183-Q185 WeakPolarHBondContact OD1-CB 2.96Å; D183-Q185 PolarHBondContact OD1-N 3.03Å; D183-Q185 PolarHBondContact OD1-OE1 2.94Å; D183-Q185 PolarHBondContact OD2-OE1 3.03Å; D183-G186 WeakPolarHBondContact O-CA 3.47Å; D183-G186 PolarHBondContact O-N 3.15Å; D183-G186 PolarHBondContact OD1-N 2.97Å; D183-R187 PolarHBondContact N-O 3.39Å; D183-R187 WeakPolarHBondContact OD1-CB 3.19Å; D183-R187 PolarHBondContact OD1-N 3.07Å; D183-R187 IonicContact OD1-NE 3.74Å; D183-R187 IonicContact OD2-CZ 3.3Å; D183-R187 VanDerWaalsContact OD2-CZ 3.3Å; D183-R187 IonicContact OD2-NE 2.86Å; D183-R187 PolarHBondContact OD2-NE 3.06Å; D183-R187 IonicContact OD2-NH2 2.84Å; D183-R187 PolarHBondContact OD2-NH2 3.13Å; D183-R191 IonicContact OD2-NH2 3.87Å; D183-R191 PolarHBondContact OD2-NH2 3.4Å | ||
| 184 | A | 93.2 | Very high | 94 | Very high | 95 Ų | 95 | 56 Ų | 56 | 79% | 0.785 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G186 | A184-G186 VanDerWaalsContact C-N 3.35Š|
| 185 | Q | 93.8 | Very high | 94.1 | Very high | 121 Ų | 121 | 51.5 Ų | 51.5 | 57% | 0.565 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 6.9 | 174.2 | -63.4 | 78.1 | 30.6 | 0 | 0 | 112.2 | D183 R187 | D183-Q185 PolarHBondContact O-N 2.7Å; D183-Q185 WeakPolarHBondContact OD1-CA 2.89Å; D183-Q185 WeakPolarHBondContact OD1-CB 2.96Å; D183-Q185 PolarHBondContact OD1-N 3.03Å; D183-Q185 PolarHBondContact OD1-OE1 2.94Å; D183-Q185 PolarHBondContact OD2-OE1 3.03Å; Q185-R187 HydrophobicContact CB-CG 4.4Å; Q185-R187 PolarHBondContact O-N 2.91Å |
| 186 | G | 92.7 | Very high | 94.2 | Very high | 54 Ų | 54 | 50 Ų | 50 | 56% | 0.557 | 25% | 0.252 | S | S | * | . | trans | 73.8 | 9.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D183 A184 V188 | D183-G186 WeakPolarHBondContact O-CA 3.47Å; D183-G186 PolarHBondContact O-N 3.15Å; D183-G186 PolarHBondContact OD1-N 2.97Å; A184-G186 VanDerWaalsContact C-N 3.35Å; G186-V188 PolarHBondContact O-N 3.32Å | ||
| 187 | R | 93.3 | Very high | 94.1 | Very high | 138 Ų | 138 | 46.4 Ų | 46.4 | 52% | 0.521 | 24% | 0.239 | S | C | . | . | trans | -78.2 | 112.4 | 179.8 | -61.8 | 178.5 | -64.5 | -133.4 | -7.8 | 109.6 | D183 Q185 | D183-R187 PolarHBondContact N-O 3.39Å; D183-R187 WeakPolarHBondContact OD1-CB 3.19Å; D183-R187 PolarHBondContact OD1-N 3.07Å; D183-R187 IonicContact OD1-NE 3.74Å; D183-R187 IonicContact OD2-CZ 3.3Å; D183-R187 VanDerWaalsContact OD2-CZ 3.3Å; D183-R187 IonicContact OD2-NE 2.86Å; D183-R187 PolarHBondContact OD2-NE 3.06Å; D183-R187 IonicContact OD2-NH2 2.84Å; D183-R187 PolarHBondContact OD2-NH2 3.13Å; Q185-R187 HydrophobicContact CB-CG 4.4Å; Q185-R187 PolarHBondContact O-N 2.91Å | ||
| 188 | V | 93.7 | Very high | 94.1 | Very high | 86 Ų | 86 | 47.1 Ų | 47.1 | 52% | 0.521 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 134 | 177.1 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | L121 L180 T181 A182 G186 | L121-V188 HydrophobicContact CD1-CG1 4.28Å; L121-V188 HydrophobicContact CD2-CG1 3.82Å; L121-V188 HydrophobicContact CD2-CG2 4.25Å; L180-V188 HydrophobicContact CD1-CG1 3.86Å; L180-V188 HydrophobicContact CD2-CG1 4.26Å; L180-V188 HydrophobicContact CG-CG1 3.99Å; T181-V188 CarbonylContact O-C 3.56Å; T181-V188 WeakPolarHBondContact O-CA 3.47Å; A182-V188 HydrophobicContact CB-CG2 4.3Å; G186-V188 PolarHBondContact O-N 3.32Å |
| 189 | G | 91.9 | Very high | 94.1 | Very high | 16 Ų | 16 | 44.6 Ų | 44.6 | 17% | 0.165 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.6 | 165.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T181 R191 | T181-G189 PolarHBondContact N-O 3.43Å; T181-G189 PolarHBondContact O-N 2.7Å; T181-G189 VanDerWaalsContact O-O 3.12Å; T181-G189 PolarHBondContact OG1-O 3.21Å; G189-R191 PolarHBondContact O-N 3.27Å |
| 190 | W | 91.9 | Very high | 94.1 | Very high | 89 Ų | 89 | 47 Ų | 47 | 34% | 0.337 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 123.9 | 174.7 | -67.5 | 100.4 | 0 | 0 | 0 | 110.4 | F34 L48 R178 A179 L180 | F34-W190 HydrophobicContact CE1-CZ2 4.34Å; F34-W190 HydrophobicContact CZ-CZ2 4.38Å; L48-W190 HydrophobicContact CD1-CH2 3.92Å; R178-W190 HydrophobicContact CG-CB 4.4Å; R178-W190 HydrophobicContact CG-CE3 4.02Å; A179-W190 VanDerWaalsContact C-CE3 3.42Å; A179-W190 WeakPolarHBondContact O-CA 2.99Å; L180-W190 HydrophobicContact CB-CE3 4.32Å; L180-W190 HydrophobicContact CB-CH2 4.25Å; L180-W190 HydrophobicContact CB-CZ2 4.47Å; L180-W190 HydrophobicContact CB-CZ3 4.2Å; L180-W190 HydrophobicContact CD1-CD2 4.24Å; L180-W190 HydrophobicContact CD1-CG 4.39Å |
| 191 | R | 93.5 | Very high | 94.2 | Very high | 60 Ų | 60 | 48.4 Ų | 48.4 | 23% | 0.226 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 155 | 177.3 | -63.2 | -171.7 | -168.4 | -30.9 | 4.9 | 110.7 | R178 A179 T181 D183 G189 | R178-R191 WeakPolarHBondContact CA-O 3.49Å; A179-R191 PolarHBondContact N-O 3.38Å; A179-R191 PolarHBondContact O-N 3.23Å; T181-R191 WeakPolarHBondContact OG1-CB 3.35Å; T181-R191 VanDerWaalsContact OG1-CD 3.29Å; T181-R191 WeakPolarHBondContact OG1-CD 3.34Å; T181-R191 VanDerWaalsContact OG1-CG 3.3Å; T181-R191 WeakPolarHBondContact OG1-CG 3.39Å; D183-R191 IonicContact OD2-NH2 3.87Å; D183-R191 PolarHBondContact OD2-NH2 3.4Å; G189-R191 PolarHBondContact O-N 3.27Å |
| 192 | W | 94.9 | Very high | 94.1 | Very high | 90 Ų | 90 | 50.8 Ų | 50.8 | 34% | 0.341 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 116.4 | 167.7 | -71.6 | 104.1 | 0 | 0 | 0 | 108.4 | L41 D112 L113 Y176 V177 R178 | L41-W192 HydrophobicContact CD2-CH2 4.39Å; L41-W192 HydrophobicContact CD2-CZ2 4.01Å; D112-W192 CarbonylContact C-O 3.4Å; D112-W192 WeakPolarHBondContact CA-O 3.36Å; L113-W192 HydrophobicContact CB-CB 4.13Å; L113-W192 PolarHBondContact N-O 2.63Å; Y176-W192 HydrophobicContact CD1-CB 4.2Å; V177-W192 VanDerWaalsContact C-CE3 3.46Å; V177-W192 WeakPolarHBondContact O-CA 3.45Å; R178-W192 HydrophobicContact CB-CE3 4.46Å; R178-W192 HydrophobicContact CB-CZ3 4.37Å |
| 193 | I | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 148.1 | 176.9 | 62.5 | 165.3 | 0 | 0 | 0 | 110.5 | A110 V111 V118 V120 F136 Y176 V177 A179 T181 I195 | A110-I193 HydrophobicContact CB-CB 3.72Å; A110-I193 HydrophobicContact CB-CD1 3.68Å; A110-I193 HydrophobicContact CB-CG1 4.27Å; A110-I193 HydrophobicContact CB-CG2 3.89Å; V111-I193 WeakPolarHBondContact O-CA 3.36Å; V118-I193 HydrophobicContact CG2-CG2 3.88Å; V120-I193 HydrophobicContact CG2-CD1 4.03Å; F136-I193 HydrophobicContact CE1-CD1 3.86Å; F136-I193 HydrophobicContact CZ-CD1 4.1Å; Y176-I193 CarbonylContact C-O 3.54Å; Y176-I193 VanDerWaalsContact CA-O 3.29Å; Y176-I193 WeakPolarHBondContact CA-O 3.44Å; V177-I193 HydrophobicContact CG2-CD1 4.49Å; V177-I193 HydrophobicContact CG2-CG1 3.93Å; V177-I193 PolarHBondContact N-O 3.13Å; V177-I193 PolarHBondContact O-N 3.12Å; A179-I193 HydrophobicContact CB-CD1 3.49Å; A179-I193 VanDerWaalsContact CB-CD1 3.49Å; A179-I193 HydrophobicContact CB-CG1 3.77Å; T181-I193 HydrophobicContact CG2-CG2 3.76Å; I193-I195 HydrophobicContact CD1-CG2 4.49Å |
| 194 | R | 96.1 | Very high | 93.9 | Very high | 82 Ų | 82 | 59.7 Ų | 59.7 | 31% | 0.309 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 132.8 | 175.6 | 71.8 | -167.2 | -173.2 | -140.4 | -2.7 | 112 | R107 V111 Q174 S175 Y176 | R107-R194 PolarHBondContact NH1-O 3.34Å; V111-R194 HydrophobicContact CB-CG 4.25Å; V111-R194 VanDerWaalsContact CG2-NH2 3.28Å; V111-R194 PolarHBondContact O-N 3.48Å; Q174-R194 HydrophobicContact CB-CB 4.38Å; Q174-R194 VanDerWaalsContact OE1-CD 3.24Å; S175-R194 WeakPolarHBondContact O-CA 3.29Å; Y176-R194 HydrophobicContact CD1-CB 4.19Å; Y176-R194 HydrophobicContact CE1-CB 3.9Å |
| 195 | I | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 155.2 | 171.8 | 60.2 | 160.5 | 0 | 0 | 0 | 109.7 | R45 F136 E138 Q174 S175 V177 I193 T197 | R45-I195 HydrophobicContact CB-CD1 4.04Å; F136-I195 HydrophobicContact CD1-CG2 4.22Å; E138-I195 HydrophobicContact CG-CB 4.19Å; Q174-I195 VanDerWaalsContact CA-O 3.26Å; Q174-I195 WeakPolarHBondContact CA-O 3.43Å; S175-I195 PolarHBondContact N-O 3.22Å; S175-I195 PolarHBondContact O-N 3.13Å; V177-I195 HydrophobicContact CB-CD1 4.34Å; V177-I195 HydrophobicContact CB-CG1 4.46Å; V177-I195 HydrophobicContact CG1-CD1 3.5Å; V177-I195 HydrophobicContact CG1-CG1 3.77Å; V177-I195 HydrophobicContact CG2-CB 4.47Å; V177-I195 HydrophobicContact CG2-CD1 3.89Å; V177-I195 HydrophobicContact CG2-CG1 3.86Å; V177-I195 HydrophobicContact CG2-CG2 3.8Å; I193-I195 HydrophobicContact CD1-CG2 4.49Å; I195-T197 HydrophobicContact CD1-CG2 3.97Å; I195-T197 HydrophobicContact CG1-CG2 3.78Å |
| 196 | D | 95.9 | Very high | 93.7 | Very high | 25 Ų | 25 | 58.9 Ų | 58.9 | 13% | 0.134 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 127.3 | 173.5 | -62.4 | -20.6 | 0 | 0 | 0 | 109.7 | E138 T139 R140 A172 Q174 | E138-D196 CarbonylContact C-O 3.58Å; E138-D196 VanDerWaalsContact CA-O 3.26Å; E138-D196 WeakPolarHBondContact CA-O 3.35Å; T139-D196 PolarHBondContact N-O 3.31Å; T139-D196 CarbonylContact O-C 3.56Å; T139-D196 WeakPolarHBondContact O-CB 3.2Å; R140-D196 HydrophobicContact CG-CB 4.08Å; R140-D196 IonicContact NE-OD2 3.81Å; A172-D196 HydrophobicContact CB-CB 4.4Å; Q174-D196 VanDerWaalsContact CG-OD1 3.26Å; Q174-D196 WeakPolarHBondContact CG-OD1 3.17Å; Q174-D196 PolarHBondContact NE2-OD1 2.82Å |
| 197 | T | 93.6 | Very high | 93.1 | Very high | 12 Ų | 12 | 61.2 Ų | 61.2 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | -11.9 | -171.6 | 57.9 | 0 | 0 | 0 | 0 | 114.7 | R45 R77 T139 K173 I195 | R45-T197 PolarHBondContact NH2-O 3.18Å; R77-T197 PolarHBondContact NH1-O 2.99Å; T139-T197 WeakPolarHBondContact CB-O 3.41Å; K173-T197 PolarHBondContact O-N 2.88Å; K173-T197 PolarHBondContact O-OG1 3.29Å; I195-T197 HydrophobicContact CD1-CG2 3.97Å; I195-T197 HydrophobicContact CG1-CG2 3.78Å |
| 198 | A | 92.4 | Very high | 91.6 | Very high | 16 Ų | 16 | 58 Ų | 58 | 13% | 0.132 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 164.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T139 A172 K173 V200 | T139-A198 PolarHBondContact O-N 3.08Å; A172-A198 CarbonylContact C-O 3.59Å; A172-A198 WeakPolarHBondContact CA-O 3.38Å; K173-A198 HydrophobicContact CB-CB 4.27Å; K173-A198 PolarHBondContact N-O 3.14Å; K173-A198 PolarHBondContact O-N 3Å; A198-V200 HydrophobicContact CB-CG1 4.32Å |
| 199 | C | 93.3 | Very high | 90 | Very high | 18 Ų | 18 | 64.2 Ų | 64.2 | 12% | 0.122 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 125.2 | 161 | -171 | 0 | 0 | 0 | 0 | 108.5 | C97 A99 C141 K171 | C97-C199 HydrophobicContact CB-CB 4.3Å; C97-C199 VanDerWaalsContact CB-SG 3.54Å; A99-C199 HydrophobicContact CB-CB 3.82Å; C141-C199 WeakPolarHBondContact CA-SG 3.22Å; C141-C199 HydrophobicContact CB-CB 3.9Å; C141-C199 WeakPolarHBondContact CB-SG 3.39Å; C141-C199 WeakPolarHBondContact SG-CB 3.37Å; C141-C199 CovalentContact SG-SG 2.03Å; C141-C199 PolarHBondContact SG-SG 2.72Å; K171-C199 WeakPolarHBondContact O-CA 3.48Å |
| 200 | V | 94.4 | Very high | 88 | Confident | 51 Ų | 51 | 71.9 Ų | 71.9 | 31% | 0.309 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 154 | -176.2 | -61.7 | 0 | 0 | 0 | 0 | 110.7 | C170 K171 K173 A198 | C170-V200 CarbonylContact C-O 3.57Å; C170-V200 WeakPolarHBondContact CA-O 3.01Å; K171-V200 PolarHBondContact N-O 3.08Å; K171-V200 PolarHBondContact O-N 2.79Å; K173-V200 HydrophobicContact CB-CG1 3.91Å; K173-V200 HydrophobicContact CB-CG2 4.04Å; K173-V200 HydrophobicContact CD-CG1 4.1Å; A198-V200 HydrophobicContact CB-CG1 4.32Å |
| 201 | C | 94.2 | Very high | 87.8 | Confident | 41 Ų | 41 | 71 Ų | 71 | 28% | 0.277 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 129.6 | 172.7 | -176.5 | 0 | 0 | 0 | 0 | 110.6 | V96 C158 | V96-C201 HydrophobicContact CG1-CB 3.61Å; C158-C201 HydrophobicContact CB-CB 3.85Å; C158-C201 WeakPolarHBondContact CB-SG 3.06Å; C158-C201 WeakPolarHBondContact SG-CA 3.49Å; C158-C201 WeakPolarHBondContact SG-CB 3.25Å; C158-C201 CovalentContact SG-SG 2.02Å; C158-C201 PolarHBondContact SG-SG 2.67Å |
| 202 | T | 94.6 | Very high | 87.5 | Confident | 51 Ų | 51 | 71.6 Ų | 71.6 | 31% | 0.313 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 144.1 | 169.3 | 59.4 | 0 | 0 | 0 | 0 | 109.7 | S168 E169 K171 | S168-T202 CarbonylContact C-O 3.55Å; S168-T202 WeakPolarHBondContact CA-O 3.36Å; E169-T202 PolarHBondContact N-O 3.14Å; E169-T202 PolarHBondContact O-N 2.96Å; E169-T202 PolarHBondContact O-OG1 2.71Å; K171-T202 HydrophobicContact CB-CG2 4.41Å; K171-T202 HydrophobicContact CD-CG2 4.2Å; K171-T202 HydrophobicContact CG-CG2 4.4Å |
| 203 | L | 93.9 | Very high | 87.1 | Confident | 84 Ų | 84 | 70.6 Ų | 70.6 | 44% | 0.44 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 138.2 | -176.2 | -60.1 | 179.7 | 0 | 0 | 0 | 110.2 | V161 W166 V167 | V161-L203 HydrophobicContact CB-CD2 4.4Å; V161-L203 HydrophobicContact CG1-CD2 3.69Å; V161-L203 HydrophobicContact CG2-CD2 3.79Å; W166-L203 HydrophobicContact CB-CD2 4.45Å; W166-L203 HydrophobicContact CE3-CB 3.91Å; W166-L203 HydrophobicContact CZ3-CB 4.39Å; V167-L203 CarbonylContact O-C 3.55Å |
| 204 | L | 93.2 | Very high | 86.6 | Confident | 124 Ų | 124 | 74.7 Ų | 74.7 | 65% | 0.649 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 126 | 171.2 | -67.8 | 173.1 | 0 | 0 | 0 | 108.5 | W166 V167 | W166-L204 CarbonylContact C-O 3.58Å; W166-L204 WeakPolarHBondContact CA-O 3.4Å; V167-L204 HydrophobicContact CB-CB 4.32Å; V167-L204 PolarHBondContact N-O 3.02Å; V167-L204 PolarHBondContact O-N 3.5Å |
| 205 | S | 93.3 | Very high | 86 | Confident | 39 Ų | 39 | 74.3 Ų | 74.3 | 27% | 0.273 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 134.1 | 177.8 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | T207 | S205-T207 PolarHBondContact O-N 3.04Å; S205-T207 PolarHBondContact OG-N 3.18Å; S205-T207 PolarHBondContact OG-OG1 2.95Å |
| 206 | R | 87.6 | Confident | 85.3 | Confident | 161 Ų | 161 | 79.2 Ų | 79.2 | 61% | 0.608 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -18.9 | 174.1 | -67.4 | -175.1 | 77.5 | 166.3 | 3.7 | 112.6 | R163 H165 V167 | R163-R206 PolarHBondContact O-NH1 2.91Å; H165-R206 WeakPolarHBondContact O-CB 3.5Å; H165-R206 PolarHBondContact O-N 3.01Å; V167-R206 HydrophobicContact CG2-CG 3.83Å |
| 207 | T | 81.7 | Confident | 84.6 | Confident | 102 Ų | 102 | 83.1 Ų | 83.1 | 63% | 0.626 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 8.1 | -175 | 54.7 | 0 | 0 | 0 | 0 | 114 | S205 R209 | S205-T207 PolarHBondContact O-N 3.04Å; S205-T207 PolarHBondContact OG-N 3.18Å; S205-T207 PolarHBondContact OG-OG1 2.95Å; T207-R209 PolarHBondContact O-N 3.17Å |
| 208 | G | 61.2 | Low | 83.9 | Confident | 72 Ų | 72 | 88.5 Ų | 88.5 | 74% | 0.742 | 52% | 0.52 | S | S | * | . | trans | 63.6 | 7 | 171 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 209 | R | 59.3 | Low | 83.2 | Confident | 215 Ų | 215 | 94.6 Ų | 94.6 | 81% | 0.811 | 55% | 0.553 | S | S | * | * | trans | -92.5 | 111 | 171.2 | -67.6 | -172.3 | -170.1 | -174.6 | 2.7 | 108.7 | T207 | T207-R209 PolarHBondContact O-N 3.17Š| ||
| 210 | A | 51.3 | Low | 82.3 | Confident | 177 Ų | 177 | 101.5 Ų | 101.5 | 100% | 1.463 | 59% | 0.592 | S | S | * | * | trans | -76.2 | 0 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 210 of 210 residues in 146.9 ms
(Link to these results)