| 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 | 38.4 | Very low | 40.8 | Very low | 240 Ų | 240 | 138.5 Ų | 138.5 | 100% | 1.182 | 84% | 0.838 | S | S | * | * | 0 | 94.1 | 0 | -69.9 | -66 | -145.9 | 0 | 0 | 108.3 | |||||
| 2 | P | 42.9 | Very low | 41.2 | Very low | 134 Ų | 134 | 134 Ų | 134 | 87% | 0.87 | 84% | 0.841 | S | S | * | * | trans | -85.1 | 141.5 | 171.7 | 13.8 | 3.6 | 0 | 0 | 0 | 110.5 | ||||
| 3 | G | 46.4 | Very low | 41.3 | Very low | 62 Ų | 62 | 135.2 Ų | 135.2 | 64% | 0.639 | 83% | 0.83 | S | S | * | * | trans | -72.8 | 179.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 4 | P | 44.1 | Very low | 41 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 132.1 | -160.3 | 28.8 | -32.9 | 0 | 0 | 0 | 113.5 | ||
| 5 | T | 40.1 | Very low | 40.8 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 87% | 0.865 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 121 | 175 | -51.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 6 | Q | 41.8 | Very low | 40.8 | Very low | 184 Ų | 184 | 136.5 Ų | 136.5 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 128 | 163.9 | -68.9 | -171.9 | 22.1 | 0 | 0 | 109.6 | ||
| 7 | A | 39.1 | Very low | 40.6 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 126.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 8 | L | 36.4 | Very low | 40.5 | Very low | 176 Ų | 176 | 138.9 Ų | 138.9 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | trans | -80.9 | 114.6 | 171.2 | -74.9 | 158.9 | 0 | 0 | 0 | 109.2 | ||||
| 9 | S | 38.2 | Very low | 40.3 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | trans | -76.1 | 141.6 | 165.3 | -72.3 | 0 | 0 | 0 | 0 | 110.2 | N11 | S9-N11 VanDerWaalsContact C-N 3.26Å; S9-N11 PolarHBondContact O-N 3.14Å | ||
| 10 | P | 40.3 | Very low | 40.4 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -81.7 | 5.7 | -170.1 | 33.2 | -34.9 | 0 | 0 | 0 | 114.8 | ||
| 11 | N | 40.9 | Very low | 40.2 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 68% | 0.684 | 81% | 0.806 | S | S | * | * | trans | -110.5 | 90.4 | 177.3 | -73.5 | 15.1 | 0 | 0 | 0 | 109.1 | S9 E13 | S9-N11 VanDerWaalsContact C-N 3.26Å; S9-N11 PolarHBondContact O-N 3.14Å; N11-E13 PolarHBondContact O-N 2.9Å | ||
| 12 | G | 46.1 | Very low | 40.2 | Very low | 85 Ų | 85 | 133.3 Ų | 133.3 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | trans | -69.7 | 77.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 13 | E | 42.2 | Very low | 40.4 | Very low | 150 Ų | 150 | 130.5 Ų | 130.5 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | -113.2 | 106.5 | 169.5 | -67 | -175.1 | 131.7 | 0 | 0 | 109 | N11 N15 | N11-E13 PolarHBondContact O-N 2.9Å; E13-N15 PolarHBondContact O-N 3.24Å | ||
| 14 | N | 36.9 | Very low | 40 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -61.6 | 110.6 | 171.9 | 178.6 | 21.6 | 0 | 0 | 0 | 109.2 | N16 | N14-N16 PolarHBondContact O-N 3.09Å; N14-N16 VanDerWaalsContact O-N 3.14Å | ||
| 15 | N | 38.1 | Very low | 39.7 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -79.6 | 86.7 | 169.1 | -81.1 | -73.9 | 0 | 0 | 0 | 108.8 | E13 | E13-N15 PolarHBondContact O-N 3.24Š| ||
| 16 | N | 41.5 | Very low | 39.5 | Very low | 127 Ų | 127 | 133 Ų | 133 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | trans | -156.9 | 87 | 162 | -103.3 | -11.6 | 0 | 0 | 0 | 109.1 | N14 | N14-N16 PolarHBondContact O-N 3.09Å; N14-N16 VanDerWaalsContact O-N 3.14Å | ||
| 17 | D | 36.4 | Very low | 39.5 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -162.9 | 73.3 | 148 | -91.3 | -32.3 | 0 | 0 | 0 | 107.9 | ||||
| 18 | I | 38.7 | Very low | 39.4 | Very low | 161 Ų | 161 | 132.5 Ų | 132.5 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -86.4 | 107.1 | 160.5 | -69.4 | 165.5 | 0 | 0 | 0 | 105.9 | ||||
| 19 | I | 37.9 | Very low | 39.4 | Very low | 136 Ų | 136 | 135.1 Ų | 135.1 | 70% | 0.697 | 78% | 0.783 | S | S | * | * | trans | -106.9 | 121.2 | 162.4 | -57.4 | 179.3 | 0 | 0 | 0 | 107 | ||||
| 20 | P | 41.8 | Very low | 39.7 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -89.2 | 112.3 | 178.1 | 32.2 | -26.9 | 0 | 0 | 0 | 110 | ||||
| 21 | T | 35.5 | Very low | 39.8 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -145 | 106.6 | 162.8 | 56.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 22 | D | 39.5 | Very low | 39.6 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | 50.5 | 104 | 142.5 | -138.8 | 6.8 | 0 | 0 | 0 | 120.7 | S24 | D22-S24 PolarHBondContact O-N 3.23Å; D22-S24 VanDerWaalsContact O-N 3.09Å | ||
| 23 | G | 46.8 | Very low | 39.4 | Very low | 76 Ų | 76 | 147 Ų | 147 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | S | Bend | 74.3 | 10.1 | 121.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||
| 24 | S | 37.2 | Very low | 39.2 | Very low | 103 Ų | 103 | 146 Ų | 146 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | -143 | 106.6 | 174.3 | -72.3 | 0 | 0 | 0 | 0 | 112 | D22 C26 | D22-S24 PolarHBondContact O-N 3.23Å; D22-S24 VanDerWaalsContact O-N 3.09Å; S24-C26 PolarHBondContact O-N 2.86Å | ||
| 25 | N | 37.6 | Very low | 39.1 | Very low | 173 Ų | 173 | 150.4 Ų | 150.4 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -76.8 | 69.1 | 176.6 | -142.8 | 18.5 | 0 | 0 | 0 | 109.8 | ||||
| 26 | C | 37.2 | Very low | 39.1 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | trans | -97 | 111.2 | 165.9 | -81 | 0 | 0 | 0 | 0 | 108.3 | S24 P28 | S24-C26 PolarHBondContact O-N 2.86Å; C26-P28 WeakPolarHBondContact O-CD 3.33Å | ||
| 27 | I | 40.4 | Very low | 39 | Very low | 158 Ų | 158 | 149.5 Ų | 149.5 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -63.6 | 117.6 | 174.6 | -58.5 | 172.6 | 0 | 0 | 0 | 108.1 | Y29 | I27-Y29 PolarHBondContact O-N 3.49Š| ||
| 28 | P | 38.3 | Very low | 39.3 | Very low | 113 Ų | 113 | 151.9 Ų | 151.9 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -75.3 | 130.6 | 179.4 | 28.7 | -30.3 | 0 | 0 | 0 | 110.5 | C26 R30 | C26-P28 WeakPolarHBondContact O-CD 3.33Å; P28-R30 PolarHBondContact O-N 3.23Å | ||
| 29 | Y | 36.5 | Very low | 39.5 | Very low | 231 Ų | 231 | 148.6 Ų | 148.6 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | -55.9 | 114.7 | 171.6 | -117.5 | -94 | 0 | 0 | 0 | 110.1 | I27 K31 | I27-Y29 PolarHBondContact O-N 3.49Å; Y29-K31 PolarHBondContact O-N 3.17Å | ||
| 30 | R | 43.1 | Very low | 40.1 | Very low | 215 Ų | 215 | 147 Ų | 147 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -79.4 | 102.9 | 179.7 | -151.1 | 177.9 | -169.3 | 168.8 | 2.7 | 109.6 | P28 N32 | P28-R30 PolarHBondContact O-N 3.23Å; R30-N32 PolarHBondContact O-N 3.38Å | ||
| 31 | K | 44.1 | Very low | 40.5 | Very low | 198 Ų | 198 | 147 Ų | 147 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -67.7 | 115.5 | 161.2 | -84.2 | -180 | 176.3 | 172.9 | 0 | 108.4 | Y29 | Y29-K31 PolarHBondContact O-N 3.17Š| ||
| 32 | N | 35.3 | Very low | 41.8 | Very low | 147 Ų | 147 | 146 Ų | 146 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | -128.7 | 111.7 | 154.8 | -95.1 | 8.2 | 0 | 0 | 0 | 109.6 | R30 | R30-N32 PolarHBondContact O-N 3.38Š| ||
| 33 | T | 42.7 | Very low | 43.2 | Very low | 132 Ų | 132 | 141 Ų | 141 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | trans | -79.7 | 153.4 | 163 | -68.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 34 | V | 37.5 | Very low | 45.2 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | trans | 123.7 | 90.6 | 152.2 | -173.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 35 | R | 35.1 | Very low | 47.9 | Very low | 235 Ų | 235 | 139.3 Ų | 139.3 | 89% | 0.887 | 73% | 0.727 | S | S | * | * | S | Bend | 168.8 | 107.6 | 109 | -162.4 | -177.9 | -96.5 | -137.5 | 1 | 110.2 | E37 | R35-E37 VanDerWaalsContact C-N 3.32Å; R35-E37 PolarHBondContact O-N 2.83Å | |
| 36 | G | 38.1 | Very low | 50.6 | Low | 88 Ų | 88 | 134.9 Ų | 134.9 | 91% | 0.907 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 62.4 | -7.4 | 140.2 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||
| 37 | E | 40 | Very low | 53.3 | Low | 175 Ų | 175 | 131.5 Ų | 131.5 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -130.4 | 136.3 | 166.6 | -73.4 | -176.6 | 163.6 | 0 | 0 | 107.3 | R35 A39 | R35-E37 VanDerWaalsContact C-N 3.32Å; R35-E37 PolarHBondContact O-N 2.83Å; E37-A39 PolarHBondContact O-N 3.32Å |
| 38 | R | 41.5 | Very low | 55.8 | Low | 206 Ų | 206 | 125.2 Ų | 125.2 | 78% | 0.777 | 65% | 0.649 | S | S | * | * | trans | -69.3 | 79.4 | -175.6 | -144 | -173.8 | -78 | 164.9 | -5.6 | 108 | Y40 | R38-Y40 VanDerWaalsContact C-N 3.32Å; R38-Y40 HydrophobicContact CB-CE2 4.26Å; R38-Y40 VanDerWaalsContact CD-CZ 3.5Å; R38-Y40 VanDerWaalsContact CD-OH 3.24Å; R38-Y40 WeakPolarHBondContact CD-OH 3.24Å; R38-Y40 HydrophobicContact CG-CE1 4.23Å; R38-Y40 HydrophobicContact CG-CE2 4.44Å; R38-Y40 PolarHBondContact NH1-OH 2.98Å; R38-Y40 WeakPolarHBondContact O-CD2 3.43Å; R38-Y40 PolarHBondContact O-N 3.44Å | ||
| 39 | A | 42.8 | Very low | 58.1 | Low | 92 Ų | 92 | 126.5 Ų | 126.5 | 76% | 0.76 | 64% | 0.641 | S | S | * | * | trans | -73 | 91.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 107 | E37 S41 | E37-A39 PolarHBondContact O-N 3.32Å; A39-S41 PolarHBondContact O-N 3.24Å; A39-S41 VanDerWaalsContact O-N 3.1Å | ||
| 40 | Y | 50.2 | Low | 59.8 | Low | 103 Ų | 103 | 119.4 Ų | 119.4 | 40% | 0.404 | 63% | 0.625 | S | S | . | * | trans | -67.3 | 107.2 | 169.7 | -55.4 | -83.6 | 0 | 0 | 0 | 107.4 | R38 W42 P96 | R38-Y40 VanDerWaalsContact C-N 3.32Å; R38-Y40 HydrophobicContact CB-CE2 4.26Å; R38-Y40 VanDerWaalsContact CD-CZ 3.5Å; R38-Y40 VanDerWaalsContact CD-OH 3.24Å; R38-Y40 WeakPolarHBondContact CD-OH 3.24Å; R38-Y40 HydrophobicContact CG-CE1 4.23Å; R38-Y40 HydrophobicContact CG-CE2 4.44Å; R38-Y40 PolarHBondContact NH1-OH 2.98Å; R38-Y40 WeakPolarHBondContact O-CD2 3.43Å; R38-Y40 PolarHBondContact O-N 3.44Å; Y40-W42 VanDerWaalsContact CB-CD1 3.47Å; Y40-W42 PolarHBondContact O-N 2.91Å; Y40-P96 WeakPolarHBondContact CD2-O 3.32Å; Y40-P96 HydrophobicContact CE1-CB 4.28Å; Y40-P96 HydrophobicContact CE2-CB 4.49Å | ||
| 41 | S | 51.8 | Low | 61 | Low | 113 Ų | 113 | 112.9 Ų | 112.9 | 79% | 0.79 | 61% | 0.609 | S | S | * | * | trans | -81.7 | 68.2 | 176 | 60.8 | 0 | 0 | 0 | 0 | 109.5 | A39 | A39-S41 PolarHBondContact O-N 3.24Å; A39-S41 VanDerWaalsContact O-N 3.1Å | ||
| 42 | W | 62 | Low | 61.7 | Low | 103 Ų | 103 | 108.9 Ų | 108.9 | 39% | 0.39 | 61% | 0.606 | S | S | . | * | P | Polyproline II helix | trans | -74.8 | 140.8 | 165.6 | -60.2 | 103.6 | 0 | 0 | 0 | 108.3 | Y40 F95 P96 M128 | Y40-W42 VanDerWaalsContact CB-CD1 3.47Å; Y40-W42 PolarHBondContact O-N 2.91Å; W42-F95 HydrophobicContact CB-CD1 4.44Å; W42-F95 HydrophobicContact CG-CD1 4.38Å; W42-P96 HydrophobicContact CZ2-CG 4.24Å; W42-M128 HydrophobicContact CB-CE 4.11Å |
| 43 | G | 69.3 | Low | 62.9 | Low | 60 Ų | 60 | 105.2 Ų | 105.2 | 62% | 0.619 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 167.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | M128 | G43-M128 WeakPolarHBondContact O-CE 3.02Š|
| 44 | M | 88.4 | Confident | 63 | Low | 134 Ų | 134 | 105.1 Ų | 105.1 | 66% | 0.66 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 149.3 | 173.2 | -62.5 | 165.9 | 83.5 | 0 | 0 | 109.7 | N129 | M44-N129 HydrophobicContact CB-CB 4.48Å; M44-N129 HydrophobicContact CE-CB 3.2Å; M44-N129 WeakPolarHBondContact CE-ND2 3.48Å; M44-N129 HydrophobicContact CG-CB 4.38Å |
| 45 | A | 93.6 | Very high | 64 | Low | 9 Ų | 9 | 102.1 Ų | 102.1 | 7% | 0.074 | 56% | 0.562 | C | S | . | * | P | Polyproline II helix | trans | -65.4 | 147.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | N47 F95 M128 V130 F157 | A45-N47 PolarHBondContact O-N 3.18Å; A45-F95 HydrophobicContact CB-CE1 4.39Å; A45-F95 HydrophobicContact CB-CE2 3.94Å; A45-F95 HydrophobicContact CB-CZ 3.56Å; A45-M128 HydrophobicContact CB-CB 3.96Å; A45-M128 PolarHBondContact N-O 3.31Å; A45-V130 HydrophobicContact CB-CG2 3.81Å; A45-F157 HydrophobicContact CB-CE2 3.96Å; A45-F157 HydrophobicContact CB-CZ 3.95Å |
| 46 | V | 94.8 | Very high | 65.4 | Low | 81 Ų | 81 | 99.8 Ų | 99.8 | 49% | 0.491 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -75.4 | 116.8 | 170.7 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | F157 A160 N161 | V46-F157 WeakPolarHBondContact O-CD2 3.2Å; V46-F157 WeakPolarHBondContact O-CE2 3.37Å; V46-A160 HydrophobicContact CG1-CB 4.33Å; V46-N161 PolarHBondContact N-OD1 3.36Å; V46-N161 PolarHBondContact O-ND2 3.16Å |
| 47 | N | 94.7 | Very high | 67.3 | Low | 39 Ų | 39 | 99.9 Ų | 99.9 | 21% | 0.209 | 54% | 0.544 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 148 | 175.6 | -74.1 | -67.6 | 0 | 0 | 0 | 110.9 | A45 Y49 N129 V130 D131 | A45-N47 PolarHBondContact O-N 3.18Å; N47-Y49 HydrophobicContact CB-CE2 4.34Å; N47-N129 PolarHBondContact ND2-O 2.99Å; N47-N129 VanDerWaalsContact ND2-O 3.09Å; N47-V130 WeakPolarHBondContact OD1-CA 3.41Å; N47-D131 PolarHBondContact OD1-N 2.7Å; N47-D131 PolarHBondContact OD1-OD1 2.98Å; N47-D131 VanDerWaalsContact OD1-OD1 3.04Å |
| 48 | V | 92.5 | Very high | 69.7 | Low | 25 Ų | 25 | 94.3 Ų | 94.3 | 15% | 0.152 | 52% | 0.519 | C | S | . | . | trans | -129.5 | 143.2 | 177.2 | -58.3 | 0 | 0 | 0 | 0 | 110.2 | W153 R156 F157 A160 | V48-W153 HydrophobicContact CG2-CZ2 4.37Å; V48-W153 PolarHBondContact O-NE1 3.03Å; V48-R156 HydrophobicContact CG2-CB 4.11Å; V48-F157 HydrophobicContact CG2-CB 3.77Å; V48-A160 HydrophobicContact CG1-CB 3.61Å | ||
| 49 | Y | 86.7 | Confident | 72.1 | Confident | 141 Ų | 141 | 86.8 Ų | 86.8 | 55% | 0.553 | 50% | 0.498 | S | S | * | . | trans | -124 | 143.1 | -178.8 | -51.3 | -78.2 | 0 | 0 | 0 | 109.6 | N47 T51 D131 | N47-Y49 HydrophobicContact CB-CE2 4.34Å; Y49-T51 PolarHBondContact O-N 3.1Å; Y49-D131 VanDerWaalsContact CE1-OD2 3.3Å; Y49-D131 WeakPolarHBondContact CE1-OD2 3.37Å; Y49-D131 PolarHBondContact OH-OD2 3.08Å | ||
| 50 | S | 72.6 | Confident | 74.5 | Confident | 82 Ų | 82 | 89 Ų | 89 | 57% | 0.573 | 49% | 0.487 | S | S | * | . | trans | -72.9 | 109.8 | 172.1 | -57.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 51 | T | 68.1 | Low | 76.7 | Confident | 78 Ų | 78 | 89.6 Ų | 89.6 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | trans | -105.3 | 141.6 | 164.5 | 52.9 | 0 | 0 | 0 | 0 | 107.3 | Y49 I53 | Y49-T51 PolarHBondContact O-N 3.1Å; T51-I53 PolarHBondContact O-N 2.93Å | ||
| 52 | S | 59 | Low | 78.8 | Confident | 113 Ų | 113 | 88.3 Ų | 88.3 | 79% | 0.79 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -62 | -11.9 | -175.8 | -58.2 | 0 | 0 | 0 | 0 | 114.1 | T54 E272 | S52-T54 PolarHBondContact O-N 3.49Å; S52-E272 VanDerWaalsContact CA-OE1 3.31Å; S52-E272 WeakPolarHBondContact CA-OE1 2.88Å; S52-E272 WeakPolarHBondContact CB-OE1 2.69Å; S52-E272 VanDerWaalsContact O-OE1 3.09Å |
| 53 | I | 58.9 | Low | 80.5 | Confident | 70 Ų | 70 | 83.4 Ų | 83.4 | 36% | 0.359 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -66.4 | 114 | -174.6 | -134.8 | -179.3 | 0 | 0 | 0 | 111.3 | T51 Q55 E272 Y276 | T51-I53 PolarHBondContact O-N 2.93Å; I53-Q55 WeakPolarHBondContact O-CG 3.41Å; I53-Q55 PolarHBondContact O-N 3.19Å; I53-E272 WeakPolarHBondContact CA-OE1 3.44Å; I53-E272 PolarHBondContact N-OE1 3.08Å; I53-Y276 HydrophobicContact CD1-CE2 3.94Å; I53-Y276 WeakPolarHBondContact CD1-OH 3.24Å; I53-Y276 HydrophobicContact CG1-CE2 4.3Å |
| 54 | T | 46.1 | Very low | 81.9 | Confident | 131 Ų | 131 | 81.3 Ų | 81.3 | 80% | 0.804 | 43% | 0.434 | S | S | * | . | trans | 21 | 47.5 | 166.1 | 57.1 | 0 | 0 | 0 | 0 | 118 | S52 E56 | S52-T54 PolarHBondContact O-N 3.49Å; T54-E56 PolarHBondContact O-N 2.96Å | ||
| 55 | Q | 57.8 | Low | 82.3 | Confident | 67 Ų | 67 | 76.9 Ų | 76.9 | 31% | 0.313 | 42% | 0.419 | S | S | . | . | trans | -89.8 | 104.2 | -179.4 | -96.4 | -175.1 | 17.9 | 0 | 0 | 108.6 | I53 T57 R156 | I53-Q55 WeakPolarHBondContact O-CG 3.41Å; I53-Q55 PolarHBondContact O-N 3.19Å; Q55-T57 WeakPolarHBondContact O-CG2 3.25Å; Q55-T57 PolarHBondContact O-N 3Å; Q55-R156 VanDerWaalsContact CD-NH1 3.33Å; Q55-R156 VanDerWaalsContact CG-NH1 3.3Å; Q55-R156 VanDerWaalsContact OE1-CD 3.24Å; Q55-R156 VanDerWaalsContact OE1-NH1 3.16Å | ||
| 56 | E | 64.2 | Low | 82.5 | Confident | 185 Ų | 185 | 78.1 Ų | 78.1 | 86% | 0.864 | 42% | 0.421 | S | S | * | . | trans | -48.4 | 114.6 | 171.5 | -160.2 | 172.3 | -158.4 | 0 | 0 | 108.4 | T54 R156 | T54-E56 PolarHBondContact O-N 2.96Å; E56-R156 PolarHBondContact O-NH2 2.87Å; E56-R156 VanDerWaalsContact O-NH2 3.16Å | ||
| 57 | T | 78.4 | Confident | 82.6 | Confident | 90 Ų | 90 | 74.2 Ų | 74.2 | 55% | 0.552 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -94 | 122.2 | -179.6 | 50.9 | 0 | 0 | 0 | 0 | 107.3 | Q55 S59 | Q55-T57 WeakPolarHBondContact O-CG2 3.25Å; Q55-T57 PolarHBondContact O-N 3Å; T57-S59 PolarHBondContact O-N 3.4Å |
| 58 | M | 89.5 | Confident | 82.8 | Confident | 58 Ų | 58 | 73.7 Ų | 73.7 | 29% | 0.286 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 135.8 | 175.6 | -68.8 | -168.7 | 74.6 | 0 | 0 | 109.6 | D62 I63 W66 Q152 K155 | M58-D62 HydrophobicContact CE-CB 3.54Å; M58-D62 WeakPolarHBondContact CE-O 3.43Å; M58-I63 HydrophobicContact CB-CB 4.14Å; M58-I63 HydrophobicContact CB-CD1 4.01Å; M58-I63 HydrophobicContact CG-CD1 4.38Å; M58-I63 HydrophobicContact SD-CD1 3.78Å; M58-W66 HydrophobicContact CE-CB 4.24Å; M58-Q152 PolarHBondContact O-NE2 2.83Å; M58-Q152 VanDerWaalsContact O-NE2 3.16Å; M58-K155 HydrophobicContact SD-CD 4.24Å; M58-K155 HydrophobicContact SD-CG 3.94Å |
| 59 | S | 92.8 | Very high | 82.9 | Confident | 48 Ų | 48 | 78.9 Ų | 78.9 | 34% | 0.336 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 160.4 | 173.4 | 85.5 | 0 | 0 | 0 | 0 | 110.3 | T57 H61 D62 I63 | T57-S59 PolarHBondContact O-N 3.4Å; S59-H61 PolarHBondContact O-N 3.37Å; S59-H61 VanDerWaalsContact O-N 3.16Å; S59-H61 PolarHBondContact OG-N 3.47Å; S59-D62 VanDerWaalsContact CB-OD2 3.3Å; S59-D62 WeakPolarHBondContact CB-OD2 3.48Å; S59-D62 PolarHBondContact O-N 3.45Å; S59-D62 PolarHBondContact OG-N 3.27Å; S59-D62 PolarHBondContact OG-OD2 3.3Å; S59-I63 WeakPolarHBondContact O-CG2 3.08Å; S59-I63 PolarHBondContact O-N 3.42Å |
| 60 | R | 94.1 | Very high | 83.4 | Confident | 138 Ų | 138 | 74.3 Ų | 74.3 | 52% | 0.521 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -56.3 | -31.2 | 176 | 73.3 | -178 | -170.7 | -154.6 | -1.7 | 113.1 | I63 T64 V78 F144 | R60-I63 WeakPolarHBondContact O-CG2 3.39Å; R60-T64 WeakPolarHBondContact O-CB 3.21Å; R60-T64 PolarHBondContact O-N 2.8Å; R60-T64 PolarHBondContact O-OG1 3.16Å; R60-V78 HydrophobicContact CB-CG2 4.12Å; R60-F144 HydrophobicContact CB-CE2 4.46Å; R60-F144 HydrophobicContact CB-CZ 4.32Å |
| 61 | H | 95.6 | Very high | 84.5 | Confident | 116 Ų | 116 | 70.4 Ų | 70.4 | 54% | 0.537 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -77.5 | -46 | -179.2 | -58.5 | 107.1 | 0 | 0 | 0 | 109.9 | S59 I63 T64 A65 | S59-H61 PolarHBondContact O-N 3.37Å; S59-H61 VanDerWaalsContact O-N 3.16Å; S59-H61 PolarHBondContact OG-N 3.47Å; H61-I63 PolarHBondContact O-N 3.13Å; H61-T64 PolarHBondContact O-N 2.85Å; H61-A65 WeakPolarHBondContact O-CB 3.33Å; H61-A65 PolarHBondContact O-N 3.19Å |
| 62 | D | 96.8 | Very high | 85.8 | Confident | 86 Ų | 86 | 68.7 Ų | 68.7 | 46% | 0.46 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.5 | -41.1 | -178.1 | -52.1 | -39.5 | 0 | 0 | 0 | 111.6 | M58 S59 T64 A65 W66 | M58-D62 HydrophobicContact CE-CB 3.54Å; M58-D62 WeakPolarHBondContact CE-O 3.43Å; S59-D62 VanDerWaalsContact CB-OD2 3.3Å; S59-D62 WeakPolarHBondContact CB-OD2 3.48Å; S59-D62 PolarHBondContact O-N 3.45Å; S59-D62 PolarHBondContact OG-N 3.27Å; S59-D62 PolarHBondContact OG-OD2 3.3Å; D62-T64 VanDerWaalsContact C-N 3.27Å; D62-T64 PolarHBondContact O-N 2.87Å; D62-A65 PolarHBondContact O-N 3.03Å; D62-W66 WeakPolarHBondContact O-CB 3.14Å; D62-W66 PolarHBondContact O-N 3.31Å |
| 63 | I | 97.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65 | -35.6 | 177.7 | -161.2 | 80.2 | 0 | 0 | 0 | 111.1 | M58 S59 R60 H61 W66 V67 V78 L148 I151 K155 | M58-I63 HydrophobicContact CB-CB 4.14Å; M58-I63 HydrophobicContact CB-CD1 4.01Å; M58-I63 HydrophobicContact CG-CD1 4.38Å; M58-I63 HydrophobicContact SD-CD1 3.78Å; S59-I63 WeakPolarHBondContact O-CG2 3.08Å; S59-I63 PolarHBondContact O-N 3.42Å; R60-I63 WeakPolarHBondContact O-CG2 3.39Å; H61-I63 PolarHBondContact O-N 3.13Å; I63-W66 HydrophobicContact CD1-CE3 3.84Å; I63-W66 HydrophobicContact CD1-CZ3 4.14Å; I63-W66 HydrophobicContact CG1-CE3 4.22Å; I63-V67 VanDerWaalsContact O-CG2 3.32Å; I63-V67 WeakPolarHBondContact O-CG2 3.21Å; I63-V67 PolarHBondContact O-N 2.96Å; I63-V67 VanDerWaalsContact O-N 3.16Å; I63-V78 HydrophobicContact CG2-CG2 4.26Å; I63-L148 HydrophobicContact CG2-CD1 4.43Å; I63-I151 HydrophobicContact CD1-CG1 4.19Å; I63-I151 HydrophobicContact CG1-CB 4.41Å; I63-I151 HydrophobicContact CG1-CG1 3.62Å; I63-I151 HydrophobicContact CG1-CG2 3.92Å; I63-I151 HydrophobicContact CG2-CG2 4.43Å; I63-K155 HydrophobicContact CD1-CB 3.74Å; I63-K155 HydrophobicContact CD1-CG 4.01Å |
| 64 | T | 97.3 | Very high | 89.2 | Confident | 16 Ų | 16 | 65.6 Ų | 65.6 | 10% | 0.098 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72 | -42.5 | 177.9 | -57.1 | 0 | 0 | 0 | 0 | 110.7 | R60 H61 D62 V67 N68 Y75 | R60-T64 WeakPolarHBondContact O-CB 3.21Å; R60-T64 PolarHBondContact O-N 2.8Å; R60-T64 PolarHBondContact O-OG1 3.16Å; H61-T64 PolarHBondContact O-N 2.85Å; D62-T64 VanDerWaalsContact C-N 3.27Å; D62-T64 PolarHBondContact O-N 2.87Å; T64-V67 PolarHBondContact O-N 3.05Å; T64-N68 VanDerWaalsContact O-CG 3.29Å; T64-N68 PolarHBondContact O-N 3.02Å; T64-N68 PolarHBondContact O-ND2 3.44Å; T64-Y75 WeakPolarHBondContact CG2-O 3.37Å |
| 65 | A | 97.6 | Very high | 91.5 | Very high | 41 Ų | 41 | 60 Ų | 60 | 34% | 0.339 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.9 | -46.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | H61 D62 V67 N68 D69 | H61-A65 WeakPolarHBondContact O-CB 3.33Å; H61-A65 PolarHBondContact O-N 3.19Å; D62-A65 PolarHBondContact O-N 3.03Å; A65-V67 VanDerWaalsContact C-N 3.35Å; A65-V67 PolarHBondContact O-N 3.38Å; A65-N68 WeakPolarHBondContact O-CB 3.4Å; A65-N68 PolarHBondContact O-N 2.83Å; A65-N68 VanDerWaalsContact O-N 3.08Å; A65-D69 WeakPolarHBondContact O-CB 3.16Å; A65-D69 VanDerWaalsContact O-CG 3.22Å; A65-D69 PolarHBondContact O-N 3.23Å |
| 66 | W | 97.7 | Very high | 93.3 | Very high | 35 Ų | 35 | 62.3 Ų | 62.3 | 13% | 0.133 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.3 | -46.3 | 176 | 166.8 | 64.5 | 0 | 0 | 0 | 113 | M58 D62 I63 N68 L70 F90 I151 K155 F158 | M58-W66 HydrophobicContact CE-CB 4.24Å; D62-W66 WeakPolarHBondContact O-CB 3.14Å; D62-W66 PolarHBondContact O-N 3.31Å; I63-W66 HydrophobicContact CD1-CE3 3.84Å; I63-W66 HydrophobicContact CD1-CZ3 4.14Å; I63-W66 HydrophobicContact CG1-CE3 4.22Å; W66-N68 VanDerWaalsContact C-N 3.33Å; W66-N68 PolarHBondContact O-N 2.87Å; W66-L70 WeakPolarHBondContact O-CB 3.48Å; W66-L70 PolarHBondContact O-N 2.96Å; W66-L70 VanDerWaalsContact O-N 3.08Å; W66-F90 HydrophobicContact CE3-CZ 4.46Å; W66-F90 HydrophobicContact CH2-CD1 4.48Å; W66-F90 AromaticContact CH2-CE1 3.75Å; W66-F90 HydrophobicContact CH2-CE1 3.75Å; W66-F90 HydrophobicContact CH2-CE2 4.3Å; W66-F90 AromaticContact CH2-CZ 3.66Å; W66-F90 HydrophobicContact CH2-CZ 3.66Å; W66-F90 HydrophobicContact CZ2-CD1 4.43Å; W66-F90 AromaticContact CZ2-CE1 3.63Å; W66-F90 HydrophobicContact CZ2-CE1 3.63Å; W66-F90 AromaticContact CZ2-CZ 3.93Å; W66-F90 HydrophobicContact CZ2-CZ 3.93Å; W66-F90 HydrophobicContact CZ3-CE1 4.47Å; W66-F90 HydrophobicContact CZ3-CE2 4.49Å; W66-F90 AromaticContact CZ3-CZ 3.96Å; W66-F90 HydrophobicContact CZ3-CZ 3.96Å; W66-I151 HydrophobicContact CZ3-CD1 3.92Å; W66-I151 HydrophobicContact CZ3-CG1 4.34Å; W66-K155 HydrophobicContact CD2-CD 3.63Å; W66-K155 VanDerWaalsContact CE2-CD 3.43Å; W66-K155 HydrophobicContact CE3-CB 4.48Å; W66-K155 HydrophobicContact CE3-CD 3.75Å; W66-K155 HydrophobicContact CE3-CG 4.49Å; W66-K155 HydrophobicContact CG-CD 4.4Å; W66-K155 HydrophobicContact CH2-CB 4.09Å; W66-K155 HydrophobicContact CH2-CD 3.54Å; W66-K155 HydrophobicContact CH2-CG 4.43Å; W66-K155 HydrophobicContact CZ2-CD 3.41Å; W66-K155 VanDerWaalsContact CZ2-CD 3.41Å; W66-K155 HydrophobicContact CZ3-CB 3.92Å; W66-K155 HydrophobicContact CZ3-CD 3.7Å; W66-K155 HydrophobicContact CZ3-CG 4.33Å; W66-F158 HydrophobicContact CH2-CB 4.23Å; W66-F158 HydrophobicContact CH2-CG 4.29Å; W66-F158 HydrophobicContact CZ2-CB 4.11Å; W66-F158 AromaticContact CZ2-CD1 3.81Å; W66-F158 HydrophobicContact CZ2-CD1 3.81Å; W66-F158 HydrophobicContact CZ2-CD2 4.17Å; W66-F158 HydrophobicContact CZ2-CE1 4.32Å; W66-F158 AromaticContact CZ2-CG 3.75Å; W66-F158 HydrophobicContact CZ2-CG 3.75Å |
| 67 | V | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 176.6 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | I63 T64 A65 L71 L73 Y75 L81 F90 I151 | I63-V67 VanDerWaalsContact O-CG2 3.32Å; I63-V67 WeakPolarHBondContact O-CG2 3.21Å; I63-V67 PolarHBondContact O-N 2.96Å; I63-V67 VanDerWaalsContact O-N 3.16Å; T64-V67 PolarHBondContact O-N 3.05Å; A65-V67 VanDerWaalsContact C-N 3.35Å; A65-V67 PolarHBondContact O-N 3.38Å; V67-L71 WeakPolarHBondContact O-CB 3.5Å; V67-L71 PolarHBondContact O-N 3.15Å; V67-L71 VanDerWaalsContact O-N 3.1Å; V67-L73 HydrophobicContact CG1-CD1 3.94Å; V67-Y75 HydrophobicContact CG1-CD2 4.02Å; V67-Y75 HydrophobicContact CG1-CE2 4.2Å; V67-L81 HydrophobicContact CG1-CD2 4.2Å; V67-L81 HydrophobicContact CG2-CD2 4.32Å; V67-F90 HydrophobicContact CB-CZ 4.33Å; V67-F90 HydrophobicContact CG1-CE2 4.32Å; V67-F90 HydrophobicContact CG1-CZ 4.32Å; V67-F90 HydrophobicContact CG2-CE2 4.08Å; V67-F90 HydrophobicContact CG2-CZ 3.91Å; V67-I151 HydrophobicContact CG2-CD1 4.1Å; V67-I151 HydrophobicContact CG2-CG1 4.46Å |
| 68 | N | 96.9 | Very high | 95.7 | Very high | 27 Ų | 27 | 53 Ų | 53 | 14% | 0.144 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.5 | -45.5 | -178.8 | -73.6 | -19.4 | 0 | 0 | 0 | 112.3 | T64 A65 W66 G72 L73 N74 Y75 | T64-N68 VanDerWaalsContact O-CG 3.29Å; T64-N68 PolarHBondContact O-N 3.02Å; T64-N68 PolarHBondContact O-ND2 3.44Å; A65-N68 WeakPolarHBondContact O-CB 3.4Å; A65-N68 PolarHBondContact O-N 2.83Å; A65-N68 VanDerWaalsContact O-N 3.08Å; W66-N68 VanDerWaalsContact C-N 3.33Å; W66-N68 PolarHBondContact O-N 2.87Å; N68-G72 CarbonylContact O-C 3.6Å; N68-G72 WeakPolarHBondContact O-CA 3.48Å; N68-G72 PolarHBondContact O-N 2.87Å; N68-L73 VanDerWaalsContact CB-O 3.25Å; N68-L73 WeakPolarHBondContact CB-O 3.48Å; N68-L73 VanDerWaalsContact CG-O 3.31Å; N68-L73 PolarHBondContact O-N 3.39Å; N68-L73 VanDerWaalsContact OD1-C 3.26Å; N68-L73 WeakPolarHBondContact OD1-CB 3.29Å; N68-L73 PolarHBondContact OD1-O 2.78Å; N68-N74 PolarHBondContact OD1-N 3.34Å; N68-Y75 PolarHBondContact ND2-N 3.04Å; N68-Y75 PolarHBondContact ND2-O 2.87Å; N68-Y75 WeakPolarHBondContact OD1-CB 3.41Å; N68-Y75 PolarHBondContact OD1-N 2.91Å |
| 69 | D | 96.6 | Very high | 96 | Very high | 134 Ų | 134 | 52 Ų | 52 | 72% | 0.717 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -66.1 | -43.9 | -177.9 | -66.9 | -18.3 | 0 | 0 | 0 | 110.9 | A65 | A65-D69 WeakPolarHBondContact O-CB 3.16Å; A65-D69 VanDerWaalsContact O-CG 3.22Å; A65-D69 PolarHBondContact O-N 3.23Å |
| 70 | L | 96.1 | Very high | 96.2 | Very high | 46 Ų | 46 | 50.6 Ų | 50.6 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -74.9 | -36.5 | -176.2 | -156.4 | 79.5 | 0 | 0 | 0 | 113.1 | W66 F90 L93 F158 | W66-L70 WeakPolarHBondContact O-CB 3.48Å; W66-L70 PolarHBondContact O-N 2.96Å; W66-L70 VanDerWaalsContact O-N 3.08Å; L70-F90 HydrophobicContact CB-CE1 4.46Å; L70-F90 HydrophobicContact CD2-CD1 3.98Å; L70-F90 HydrophobicContact CD2-CE1 3.54Å; L70-L93 HydrophobicContact CD2-CD1 3.59Å; L70-L93 HydrophobicContact CG-CD1 4.03Å; L70-F158 HydrophobicContact CD2-CE1 4.15Å; L70-F158 HydrophobicContact CD2-CE2 3.7Å; L70-F158 HydrophobicContact CD2-CZ 3.41Å; L70-F158 VanDerWaalsContact CD2-CZ 3.41Å |
| 71 | L | 96.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -104.4 | 2.9 | -174.9 | -60.1 | -174.9 | 0 | 0 | 0 | 113.4 | V67 L73 A86 Q89 F90 L93 Y167 P169 R173 | V67-L71 WeakPolarHBondContact O-CB 3.5Å; V67-L71 PolarHBondContact O-N 3.15Å; V67-L71 VanDerWaalsContact O-N 3.1Å; L71-L73 VanDerWaalsContact C-N 3.34Å; L71-L73 HydrophobicContact CB-CD1 3.72Å; L71-L73 HydrophobicContact CB-CG 3.72Å; L71-L73 HydrophobicContact CD1-CD1 3.97Å; L71-L73 HydrophobicContact CG-CD1 4.49Å; L71-L73 PolarHBondContact O-N 2.79Å; L71-A86 HydrophobicContact CD1-CB 4.01Å; L71-Q89 HydrophobicContact CD1-CB 4.23Å; L71-Q89 HydrophobicContact CD2-CB 4.35Å; L71-Q89 HydrophobicContact CD2-CG 3.94Å; L71-F90 HydrophobicContact CD1-CD1 4.23Å; L71-F90 HydrophobicContact CD1-CD2 3.84Å; L71-F90 HydrophobicContact CD1-CE1 4.06Å; L71-F90 HydrophobicContact CD1-CE2 3.62Å; L71-F90 HydrophobicContact CD1-CG 4.13Å; L71-F90 HydrophobicContact CD1-CZ 3.74Å; L71-F90 HydrophobicContact CD2-CD1 4.22Å; L71-F90 HydrophobicContact CD2-CE1 4.29Å; L71-F90 HydrophobicContact CG-CD1 4.36Å; L71-F90 HydrophobicContact CG-CE1 4.02Å; L71-F90 HydrophobicContact CG-CE2 4.42Å; L71-F90 HydrophobicContact CG-CZ 4.04Å; L71-L93 HydrophobicContact CD2-CD1 4.31Å; L71-Y167 HydrophobicContact CD2-CE1 4.32Å; L71-P169 VanDerWaalsContact O-CB 3.28Å; L71-P169 WeakPolarHBondContact O-CB 3.45Å; L71-R173 PolarHBondContact O-NH1 3.47Å; L71-R173 PolarHBondContact O-NH2 3.42Å |
| 72 | G | 94.4 | Very high | 96.5 | Very high | 42 Ų | 42 | 38.8 Ų | 38.8 | 43% | 0.433 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 51.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | N68 R173 | N68-G72 CarbonylContact O-C 3.6Å; N68-G72 WeakPolarHBondContact O-CA 3.48Å; N68-G72 PolarHBondContact O-N 2.87Å; G72-R173 PolarHBondContact O-NH2 2.85Å; G72-R173 VanDerWaalsContact O-NH2 3.09Å |
| 73 | L | 94.1 | Very high | 96.6 | Very high | 18 Ų | 18 | 34.9 Ų | 34.9 | 9% | 0.094 | 20% | 0.198 | C | C | . | . | trans | -111.1 | 170.6 | 179.3 | -59.7 | 175.7 | 0 | 0 | 0 | 110.4 | V67 N68 L71 Y75 A86 A178 | V67-L73 HydrophobicContact CG1-CD1 3.94Å; N68-L73 VanDerWaalsContact CB-O 3.25Å; N68-L73 WeakPolarHBondContact CB-O 3.48Å; N68-L73 VanDerWaalsContact CG-O 3.31Å; N68-L73 PolarHBondContact O-N 3.39Å; N68-L73 VanDerWaalsContact OD1-C 3.26Å; N68-L73 WeakPolarHBondContact OD1-CB 3.29Å; N68-L73 PolarHBondContact OD1-O 2.78Å; L71-L73 VanDerWaalsContact C-N 3.34Å; L71-L73 HydrophobicContact CB-CD1 3.72Å; L71-L73 HydrophobicContact CB-CG 3.72Å; L71-L73 HydrophobicContact CD1-CD1 3.97Å; L71-L73 HydrophobicContact CG-CD1 4.49Å; L71-L73 PolarHBondContact O-N 2.79Å; L73-Y75 HydrophobicContact CD1-CD2 4.43Å; L73-Y75 HydrophobicContact CD1-CE1 4.43Å; L73-Y75 HydrophobicContact CD1-CE2 3.88Å; L73-A86 HydrophobicContact CD1-CB 4.13Å; L73-A178 HydrophobicContact CD2-CB 3.27Å | ||
| 74 | N | 94.7 | Very high | 96.6 | Very high | 100 Ų | 100 | 34.9 Ų | 34.9 | 54% | 0.535 | 20% | 0.198 | S | C | . | . | trans | -133.7 | 47.4 | -179.5 | 60.1 | -35.3 | 0 | 0 | 0 | 111.3 | N68 P180 | N68-N74 PolarHBondContact OD1-N 3.34Å; N74-P180 VanDerWaalsContact O-CG 3.3Å; N74-P180 WeakPolarHBondContact O-CG 3.4Å; N74-P180 VanDerWaalsContact OD1-CD 3.28Å; N74-P180 WeakPolarHBondContact OD1-CD 3.41Å; N74-P180 VanDerWaalsContact OD1-CG 3.27Å; N74-P180 WeakPolarHBondContact OD1-CG 3.41Å | ||
| 75 | Y | 95.5 | Very high | 96.7 | Very high | 14 Ų | 14 | 34.2 Ų | 34.2 | 6% | 0.055 | 19% | 0.194 | C | C | . | . | trans | -70 | 138.6 | 172.6 | -66 | -12.6 | 0 | 0 | 0 | 110.9 | T64 V67 N68 L73 Q80 L81 A86 P180 | T64-Y75 WeakPolarHBondContact CG2-O 3.37Å; V67-Y75 HydrophobicContact CG1-CD2 4.02Å; V67-Y75 HydrophobicContact CG1-CE2 4.2Å; N68-Y75 PolarHBondContact ND2-N 3.04Å; N68-Y75 PolarHBondContact ND2-O 2.87Å; N68-Y75 WeakPolarHBondContact OD1-CB 3.41Å; N68-Y75 PolarHBondContact OD1-N 2.91Å; L73-Y75 HydrophobicContact CD1-CD2 4.43Å; L73-Y75 HydrophobicContact CD1-CE1 4.43Å; L73-Y75 HydrophobicContact CD1-CE2 3.88Å; Y75-Q80 VanDerWaalsContact CA-OE1 3.23Å; Y75-Q80 HydrophobicContact CD1-CB 3.9Å; Y75-Q80 HydrophobicContact CD2-CB 4.2Å; Y75-Q80 HydrophobicContact CE1-CB 4.2Å; Y75-Q80 HydrophobicContact CE2-CB 4.46Å; Y75-Q80 HydrophobicContact CG-CB 3.9Å; Y75-L81 HydrophobicContact CD2-CD2 4.32Å; Y75-L81 HydrophobicContact CD2-CG 4.36Å; Y75-L81 HydrophobicContact CE2-CD2 3.94Å; Y75-L81 HydrophobicContact CE2-CG 4.26Å; Y75-A86 HydrophobicContact CE2-CB 4.11Å; Y75-P180 HydrophobicContact CD1-CB 3.83Å; Y75-P180 HydrophobicContact CD1-CG 4.03Å; Y75-P180 HydrophobicContact CE1-CB 4.14Å; Y75-P180 HydrophobicContact CE1-CG 4.46Å | ||
| 76 | T | 95.8 | Very high | 96.7 | Very high | 115 Ų | 115 | 32.3 Ų | 32.3 | 71% | 0.706 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -110.8 | -13 | 176.4 | 57.1 | 0 | 0 | 0 | 0 | 111.9 | ||
| 77 | K | 95.1 | Very high | 96.7 | Very high | 75 Ų | 75 | 30.6 Ų | 30.6 | 33% | 0.326 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -139.7 | 144.4 | -177.2 | -64.7 | -168.4 | -172.4 | -174.3 | 0 | 110.9 | E79 Q80 D183 | K77-E79 WeakPolarHBondContact CB-OE2 3.5Å; K77-E79 PolarHBondContact O-N 3.49Å; K77-Q80 HydrophobicContact CB-CG 4.35Å; K77-Q80 WeakPolarHBondContact O-CB 3.44Å; K77-Q80 PolarHBondContact O-N 2.96Å; K77-Q80 PolarHBondContact O-OE1 2.95Å; K77-D183 WeakPolarHBondContact CE-OD2 3.37Å; K77-D183 IonicContact NZ-OD1 2.77Å; K77-D183 PolarHBondContact NZ-OD1 3.34Å; K77-D183 IonicContact NZ-OD2 2.63Å; K77-D183 PolarHBondContact NZ-OD2 3.02Å |
| 78 | V | 97.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -62.8 | -34 | 177.5 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | R60 I63 Q80 L81 F144 N147 L148 I151 | R60-V78 HydrophobicContact CB-CG2 4.12Å; I63-V78 HydrophobicContact CG2-CG2 4.26Å; V78-Q80 PolarHBondContact O-N 3.25Å; V78-L81 HydrophobicContact CG1-CD1 4.19Å; V78-L81 VanDerWaalsContact O-CB 3.25Å; V78-L81 WeakPolarHBondContact O-CB 3.17Å; V78-L81 WeakPolarHBondContact O-CG 3.36Å; V78-L81 PolarHBondContact O-N 3.09Å; V78-F144 HydrophobicContact CB-CD2 4.31Å; V78-F144 HydrophobicContact CB-CE2 4.14Å; V78-F144 HydrophobicContact CG2-CE2 4.16Å; V78-N147 HydrophobicContact CG1-CB 4.1Å; V78-L148 HydrophobicContact CG1-CB 4.2Å; V78-L148 HydrophobicContact CG1-CD1 4.35Å; V78-L148 HydrophobicContact CG2-CD1 4.37Å; V78-I151 HydrophobicContact CG1-CG2 4.14Å |
| 79 | E | 96.9 | Very high | 96.8 | Very high | 38 Ų | 38 | 29.4 Ų | 29.4 | 18% | 0.178 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -58 | -22.3 | 178.6 | -63.8 | 92.1 | 142.7 | 0 | 0 | 113.2 | K77 L81 S82 A142 F144 | K77-E79 WeakPolarHBondContact CB-OE2 3.5Å; K77-E79 PolarHBondContact O-N 3.49Å; E79-L81 PolarHBondContact O-N 3.42Å; E79-S82 WeakPolarHBondContact O-CB 3.41Å; E79-S82 PolarHBondContact O-N 3.22Å; E79-S82 PolarHBondContact O-OG 3.26Å; E79-A142 HydrophobicContact CB-CB 4.26Å; E79-A142 VanDerWaalsContact CG-O 3.24Å; E79-A142 WeakPolarHBondContact CG-O 3.37Å; E79-F144 HydrophobicContact CG-CB 4.24Å |
| 80 | Q | 97.1 | Very high | 96.9 | Very high | 17 Ų | 17 | 23 Ų | 23 | 8% | 0.079 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -68.1 | -18.6 | 176.9 | -71.4 | 171.8 | -46.2 | 0 | 0 | 112.7 | Y75 K77 V78 S82 S83 P181 | Y75-Q80 VanDerWaalsContact CA-OE1 3.23Å; Y75-Q80 HydrophobicContact CD1-CB 3.9Å; Y75-Q80 HydrophobicContact CD2-CB 4.2Å; Y75-Q80 HydrophobicContact CE1-CB 4.2Å; Y75-Q80 HydrophobicContact CE2-CB 4.46Å; Y75-Q80 HydrophobicContact CG-CB 3.9Å; K77-Q80 HydrophobicContact CB-CG 4.35Å; K77-Q80 WeakPolarHBondContact O-CB 3.44Å; K77-Q80 PolarHBondContact O-N 2.96Å; K77-Q80 PolarHBondContact O-OE1 2.95Å; V78-Q80 PolarHBondContact O-N 3.25Å; Q80-S82 PolarHBondContact O-N 3.32Å; Q80-S83 PolarHBondContact O-N 3.1Å; Q80-S83 PolarHBondContact O-OG 2.94Å; Q80-P181 WeakPolarHBondContact O-CG 3.27Å |
| 81 | L | 98.1 | Very high | 97 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.016 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -66.5 | -15.8 | 169.7 | -68.4 | 159.9 | 0 | 0 | 0 | 113 | V67 Y75 V78 E79 S83 G84 A86 Y87 I151 | V67-L81 HydrophobicContact CG1-CD2 4.2Å; V67-L81 HydrophobicContact CG2-CD2 4.32Å; Y75-L81 HydrophobicContact CD2-CD2 4.32Å; Y75-L81 HydrophobicContact CD2-CG 4.36Å; Y75-L81 HydrophobicContact CE2-CD2 3.94Å; Y75-L81 HydrophobicContact CE2-CG 4.26Å; V78-L81 HydrophobicContact CG1-CD1 4.19Å; V78-L81 VanDerWaalsContact O-CB 3.25Å; V78-L81 WeakPolarHBondContact O-CB 3.17Å; V78-L81 WeakPolarHBondContact O-CG 3.36Å; V78-L81 PolarHBondContact O-N 3.09Å; E79-L81 PolarHBondContact O-N 3.42Å; L81-S83 PolarHBondContact O-N 3.36Å; L81-G84 PolarHBondContact O-N 3.02Å; L81-A86 HydrophobicContact CD2-CB 3.8Å; L81-Y87 HydrophobicContact CB-CE2 3.98Å; L81-Y87 HydrophobicContact CD2-CE2 4.47Å; L81-Y87 WeakPolarHBondContact O-CE2 3.49Å; L81-I151 HydrophobicContact CD1-CB 3.84Å; L81-I151 HydrophobicContact CD1-CD1 3.89Å; L81-I151 HydrophobicContact CD1-CG1 3.67Å; L81-I151 HydrophobicContact CD1-CG2 4.18Å; L81-I151 HydrophobicContact CD2-CD1 4.23Å |
| 82 | S | 97.9 | Very high | 97 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 3% | 0.028 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -58.7 | -16 | 175.4 | 62.9 | 0 | 0 | 0 | 0 | 114 | E79 Q80 G84 Y114 F118 L139 N147 | E79-S82 WeakPolarHBondContact O-CB 3.41Å; E79-S82 PolarHBondContact O-N 3.22Å; E79-S82 PolarHBondContact O-OG 3.26Å; Q80-S82 PolarHBondContact O-N 3.32Å; S82-G84 PolarHBondContact O-N 2.62Å; S82-Y114 WeakPolarHBondContact O-CB 3.47Å; S82-F118 WeakPolarHBondContact O-CE2 3.5Å; S82-L139 WeakPolarHBondContact CB-O 3.22Å; S82-N147 WeakPolarHBondContact CA-OD1 3.39Å; S82-N147 PolarHBondContact N-OD1 3.09Å |
| 83 | S | 97.8 | Very high | 97.1 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -68.4 | -19 | 174.5 | 62.5 | 0 | 0 | 0 | 0 | 114.5 | Q80 L81 A85 Y114 N117 P181 | Q80-S83 PolarHBondContact O-N 3.1Å; Q80-S83 PolarHBondContact O-OG 2.94Å; L81-S83 PolarHBondContact O-N 3.36Å; S83-A85 PolarHBondContact O-N 3.43Å; S83-A85 VanDerWaalsContact O-N 3.12Å; S83-Y114 VanDerWaalsContact CA-CD1 3.46Å; S83-N117 VanDerWaalsContact O-CB 3.25Å; S83-N117 WeakPolarHBondContact O-CB 3.47Å; S83-N117 PolarHBondContact O-ND2 3.47Å; S83-P181 VanDerWaalsContact CB-CG 3.46Å |
| 84 | G | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 73.8 | -9.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | L81 S82 C88 | L81-G84 PolarHBondContact O-N 3.02Å; S82-G84 PolarHBondContact O-N 2.62Å; G84-C88 PolarHBondContact O-N 3.35Å; G84-C88 PolarHBondContact O-SG 3.49Å |
| 85 | A | 98 | Very high | 97.3 | Very high | 2 Ų | 2 | 15 Ų | 15 | 2% | 0.017 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -69.3 | -43.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S83 Y87 C88 Q89 V104 F106 | S83-A85 PolarHBondContact O-N 3.43Å; S83-A85 VanDerWaalsContact O-N 3.12Å; A85-Y87 PolarHBondContact O-N 2.99Å; A85-C88 WeakPolarHBondContact O-CB 3.22Å; A85-C88 PolarHBondContact O-N 3.23Å; A85-Q89 PolarHBondContact O-N 3.19Å; A85-V104 HydrophobicContact CB-CG1 3.96Å; A85-F106 HydrophobicContact CB-CD1 4.06Å; A85-F106 HydrophobicContact CB-CE1 4.49Å |
| 86 | A | 98.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.008 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L71 L73 Y75 L81 C88 Q89 F90 | L71-A86 HydrophobicContact CD1-CB 4.01Å; L73-A86 HydrophobicContact CD1-CB 4.13Å; Y75-A86 HydrophobicContact CE2-CB 4.11Å; L81-A86 HydrophobicContact CD2-CB 3.8Å; A86-C88 VanDerWaalsContact C-N 3.34Å; A86-C88 PolarHBondContact O-N 3.09Å; A86-Q89 WeakPolarHBondContact O-CA 3.08Å; A86-Q89 WeakPolarHBondContact O-CB 3.28Å; A86-Q89 PolarHBondContact O-N 2.87Å; A86-F90 HydrophobicContact CB-CE2 4.46Å; A86-F90 WeakPolarHBondContact O-CD2 3.4Å; A86-F90 PolarHBondContact O-N 3.35Å |
| 87 | Y | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.6 | -39.7 | 176.2 | -62.8 | -61.7 | 0 | 0 | 0 | 112.9 | L81 A85 Q89 F90 M91 F118 L121 F150 I151 F154 | L81-Y87 HydrophobicContact CB-CE2 3.98Å; L81-Y87 HydrophobicContact CD2-CE2 4.47Å; L81-Y87 WeakPolarHBondContact O-CE2 3.49Å; A85-Y87 PolarHBondContact O-N 2.99Å; Y87-Q89 VanDerWaalsContact C-N 3.27Å; Y87-Q89 PolarHBondContact O-N 2.9Å; Y87-F90 PolarHBondContact O-N 2.95Å; Y87-M91 WeakPolarHBondContact O-CG 3.36Å; Y87-M91 PolarHBondContact O-N 3.24Å; Y87-F118 HydrophobicContact CD2-CE1 4.05Å; Y87-F118 HydrophobicContact CD2-CZ 4.37Å; Y87-F118 HydrophobicContact CE2-CE1 4.35Å; Y87-F118 HydrophobicContact CE2-CZ 4.4Å; Y87-L121 VanDerWaalsContact CB-CD2 3.43Å; Y87-L121 HydrophobicContact CD2-CD2 4.26Å; Y87-L121 HydrophobicContact CG-CD2 4Å; Y87-F150 AromaticContact CD1-CE1 3.98Å; Y87-F150 HydrophobicContact CD1-CE1 3.98Å; Y87-F150 HydrophobicContact CD2-CE1 4.07Å; Y87-F150 AromaticContact CE1-CD1 3.81Å; Y87-F150 HydrophobicContact CE1-CD1 3.81Å; Y87-F150 AromaticContact CE1-CE1 3.71Å; Y87-F150 HydrophobicContact CE1-CE1 3.71Å; Y87-F150 AromaticContact CE2-CD1 3.84Å; Y87-F150 HydrophobicContact CE2-CD1 3.84Å; Y87-F150 AromaticContact CE2-CE1 3.85Å; Y87-F150 HydrophobicContact CE2-CE1 3.85Å; Y87-F150 HydrophobicContact CG-CE1 4.16Å; Y87-F150 AromaticContact CZ-CD1 3.45Å; Y87-F150 VanDerWaalsContact CZ-CD1 3.45Å; Y87-F150 AromaticContact CZ-CE1 3.68Å; Y87-F150 WeakPolarHBondContact OH-CD1 3.37Å; Y87-I151 HydrophobicContact CD1-CD1 4.48Å; Y87-I151 HydrophobicContact CE1-CD1 3.5Å; Y87-I151 WeakPolarHBondContact OH-CB 3.43Å; Y87-F154 HydrophobicContact CD1-CB 4.43Å; Y87-F154 HydrophobicContact CD1-CD1 4.05Å; Y87-F154 AromaticContact CD1-CD2 3.59Å; Y87-F154 HydrophobicContact CD1-CD2 3.59Å; Y87-F154 HydrophobicContact CD1-CE1 4.24Å; Y87-F154 AromaticContact CD1-CE2 3.79Å; Y87-F154 HydrophobicContact CD1-CE2 3.79Å; Y87-F154 AromaticContact CD1-CG 3.75Å; Y87-F154 HydrophobicContact CD1-CG 3.75Å; Y87-F154 HydrophobicContact CD1-CZ 4.12Å; Y87-F154 HydrophobicContact CE1-CB 4.03Å; Y87-F154 HydrophobicContact CE1-CD1 4.28Å; Y87-F154 HydrophobicContact CE1-CD2 4.02Å; Y87-F154 AromaticContact CE1-CG 3.83Å; Y87-F154 HydrophobicContact CE1-CG 3.83Å |
| 88 | C | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.3 | -40.8 | 173.2 | -65.5 | 0 | 0 | 0 | 0 | 110.8 | G84 A85 A86 M91 D92 V99 V104 N117 | G84-C88 PolarHBondContact O-N 3.35Å; G84-C88 PolarHBondContact O-SG 3.49Å; A85-C88 WeakPolarHBondContact O-CB 3.22Å; A85-C88 PolarHBondContact O-N 3.23Å; A86-C88 VanDerWaalsContact C-N 3.34Å; A86-C88 PolarHBondContact O-N 3.09Å; C88-M91 PolarHBondContact O-N 3.02Å; C88-D92 PolarHBondContact O-N 3.14Å; C88-D92 VanDerWaalsContact O-N 3.12Å; C88-V99 HydrophobicContact CB-CG2 4.11Å; C88-V99 VanDerWaalsContact O-CG1 3.31Å; C88-V99 WeakPolarHBondContact O-CG1 3.5Å; C88-V104 HydrophobicContact CB-CG1 4.11Å; C88-V104 HydrophobicContact CB-CG2 3.59Å; C88-N117 PolarHBondContact SG-O 3.44Å; C88-N117 VanDerWaalsContact SG-O 3.39Å |
| 89 | Q | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 9.5 Ų | 9.5 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -69.1 | -40.1 | 179 | -164.2 | 169.5 | 4.4 | 0 | 0 | 113 | L71 A85 A86 Y87 M91 D92 L93 F106 Y167 P169 R173 | L71-Q89 HydrophobicContact CD1-CB 4.23Å; L71-Q89 HydrophobicContact CD2-CB 4.35Å; L71-Q89 HydrophobicContact CD2-CG 3.94Å; A85-Q89 PolarHBondContact O-N 3.19Å; A86-Q89 WeakPolarHBondContact O-CA 3.08Å; A86-Q89 WeakPolarHBondContact O-CB 3.28Å; A86-Q89 PolarHBondContact O-N 2.87Å; Y87-Q89 VanDerWaalsContact C-N 3.27Å; Y87-Q89 PolarHBondContact O-N 2.9Å; Q89-M91 VanDerWaalsContact C-N 3.28Å; Q89-M91 PolarHBondContact O-N 3Å; Q89-D92 WeakPolarHBondContact O-CB 3.46Å; Q89-D92 PolarHBondContact O-N 3.05Å; Q89-L93 PolarHBondContact O-N 3.49Å; Q89-F106 HydrophobicContact CB-CE1 4.29Å; Q89-Y167 HydrophobicContact CG-CE1 4.09Å; Q89-Y167 VanDerWaalsContact CG-OH 3.32Å; Q89-Y167 WeakPolarHBondContact CG-OH 3.25Å; Q89-P169 VanDerWaalsContact NE2-CA 3.35Å; Q89-P169 VanDerWaalsContact NE2-CB 3.32Å; Q89-P169 PolarHBondContact NE2-O 3Å; Q89-R173 VanDerWaalsContact CD-NH1 3.32Å; Q89-R173 VanDerWaalsContact NE2-NH1 3.16Å |
| 90 | F | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.4 | -40.1 | 171.1 | -77.2 | -64.6 | 0 | 0 | 0 | 112.3 | W66 V67 L70 L71 A86 Y87 D92 L93 L94 F154 F158 | W66-F90 HydrophobicContact CE3-CZ 4.46Å; W66-F90 HydrophobicContact CH2-CD1 4.48Å; W66-F90 AromaticContact CH2-CE1 3.75Å; W66-F90 HydrophobicContact CH2-CE1 3.75Å; W66-F90 HydrophobicContact CH2-CE2 4.3Å; W66-F90 AromaticContact CH2-CZ 3.66Å; W66-F90 HydrophobicContact CH2-CZ 3.66Å; W66-F90 HydrophobicContact CZ2-CD1 4.43Å; W66-F90 AromaticContact CZ2-CE1 3.63Å; W66-F90 HydrophobicContact CZ2-CE1 3.63Å; W66-F90 AromaticContact CZ2-CZ 3.93Å; W66-F90 HydrophobicContact CZ2-CZ 3.93Å; W66-F90 HydrophobicContact CZ3-CE1 4.47Å; W66-F90 HydrophobicContact CZ3-CE2 4.49Å; W66-F90 AromaticContact CZ3-CZ 3.96Å; W66-F90 HydrophobicContact CZ3-CZ 3.96Å; V67-F90 HydrophobicContact CB-CZ 4.33Å; V67-F90 HydrophobicContact CG1-CE2 4.32Å; V67-F90 HydrophobicContact CG1-CZ 4.32Å; V67-F90 HydrophobicContact CG2-CE2 4.08Å; V67-F90 HydrophobicContact CG2-CZ 3.91Å; L70-F90 HydrophobicContact CB-CE1 4.46Å; L70-F90 HydrophobicContact CD2-CD1 3.98Å; L70-F90 HydrophobicContact CD2-CE1 3.54Å; L71-F90 HydrophobicContact CD1-CD1 4.23Å; L71-F90 HydrophobicContact CD1-CD2 3.84Å; L71-F90 HydrophobicContact CD1-CE1 4.06Å; L71-F90 HydrophobicContact CD1-CE2 3.62Å; L71-F90 HydrophobicContact CD1-CG 4.13Å; L71-F90 HydrophobicContact CD1-CZ 3.74Å; L71-F90 HydrophobicContact CD2-CD1 4.22Å; L71-F90 HydrophobicContact CD2-CE1 4.29Å; L71-F90 HydrophobicContact CG-CD1 4.36Å; L71-F90 HydrophobicContact CG-CE1 4.02Å; L71-F90 HydrophobicContact CG-CE2 4.42Å; L71-F90 HydrophobicContact CG-CZ 4.04Å; A86-F90 HydrophobicContact CB-CE2 4.46Å; A86-F90 WeakPolarHBondContact O-CD2 3.4Å; A86-F90 PolarHBondContact O-N 3.35Å; Y87-F90 PolarHBondContact O-N 2.95Å; F90-D92 VanDerWaalsContact C-N 3.33Å; F90-D92 PolarHBondContact O-N 2.88Å; F90-L93 WeakPolarHBondContact O-CB 3.41Å; F90-L93 PolarHBondContact O-N 3.28Å; F90-L94 WeakPolarHBondContact O-CG 3.42Å; F90-L94 PolarHBondContact O-N 3.37Å; F90-F154 HydrophobicContact CB-CE1 3.42Å; F90-F154 VanDerWaalsContact CB-CE1 3.42Å; F90-F154 HydrophobicContact CB-CZ 3.57Å; F90-F154 HydrophobicContact CD1-CE1 4.42Å; F90-F154 HydrophobicContact CD2-CD1 4.36Å; F90-F154 AromaticContact CD2-CE1 3.76Å; F90-F154 HydrophobicContact CD2-CE1 3.76Å; F90-F154 HydrophobicContact CD2-CZ 4.41Å; F90-F154 AromaticContact CG-CE1 3.66Å; F90-F154 HydrophobicContact CG-CE1 3.66Å; F90-F154 HydrophobicContact CG-CZ 4.27Å; F90-F158 AromaticContact CD1-CD2 3.81Å; F90-F158 HydrophobicContact CD1-CD2 3.81Å; F90-F158 AromaticContact CD1-CE2 3.8Å; F90-F158 HydrophobicContact CD1-CE2 3.8Å; F90-F158 HydrophobicContact CE1-CD2 4.37Å; F90-F158 HydrophobicContact CE1-CE2 4.34Å |
| 91 | M | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.8 | -36.2 | 177.1 | -73.9 | -60.6 | -67.5 | 0 | 0 | 112.5 | Y87 C88 Q89 L93 F95 C98 V99 L121 F125 M128 F154 F157 | Y87-M91 WeakPolarHBondContact O-CG 3.36Å; Y87-M91 PolarHBondContact O-N 3.24Å; C88-M91 PolarHBondContact O-N 3.02Å; Q89-M91 VanDerWaalsContact C-N 3.28Å; Q89-M91 PolarHBondContact O-N 3Å; M91-L93 VanDerWaalsContact C-N 3.35Å; M91-F95 HydrophobicContact CE-CD2 3.89Å; M91-F95 HydrophobicContact CE-CE2 4.23Å; M91-F95 CarbonylContact O-C 3.47Å; M91-F95 WeakPolarHBondContact O-CA 3.36Å; M91-F95 PolarHBondContact O-N 2.98Å; M91-F95 HydrophobicContact SD-CD2 4.47Å; M91-C98 PolarHBondContact O-SG 3.31Å; M91-V99 HydrophobicContact CB-CG1 4.29Å; M91-L121 HydrophobicContact CG-CD1 3.54Å; M91-F125 HydrophobicContact CE-CD1 3.93Å; M91-F125 HydrophobicContact CE-CE1 4.2Å; M91-F125 HydrophobicContact CG-CE1 4.2Å; M91-F125 HydrophobicContact SD-CD1 4.08Å; M91-F125 HydrophobicContact SD-CE1 3.72Å; M91-M128 HydrophobicContact CE-CG 4.1Å; M91-F154 HydrophobicContact CG-CZ 4.43Å; M91-F154 HydrophobicContact SD-CE2 4.49Å; M91-F154 HydrophobicContact SD-CZ 4.39Å; M91-F157 HydrophobicContact SD-CE1 3.88Å; M91-F157 HydrophobicContact SD-CZ 4.48Å |
| 92 | D | 96.8 | Very high | 96.5 | Very high | 27 Ų | 27 | 18.8 Ų | 18.8 | 14% | 0.144 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.5 | -39 | 172.1 | -177.7 | 71.1 | 0 | 0 | 0 | 112 | C88 Q89 F90 F95 P96 V99 L101 Y167 | C88-D92 PolarHBondContact O-N 3.14Å; C88-D92 VanDerWaalsContact O-N 3.12Å; Q89-D92 WeakPolarHBondContact O-CB 3.46Å; Q89-D92 PolarHBondContact O-N 3.05Å; F90-D92 VanDerWaalsContact C-N 3.33Å; F90-D92 PolarHBondContact O-N 2.88Å; D92-F95 CarbonylContact O-C 3.48Å; D92-P96 VanDerWaalsContact O-CA 3.25Å; D92-P96 WeakPolarHBondContact O-CA 3.35Å; D92-P96 WeakPolarHBondContact O-CD 3.4Å; D92-P96 VanDerWaalsContact O-N 3.14Å; D92-V99 HydrophobicContact CB-CG1 3.63Å; D92-L101 HydrophobicContact CB-CD1 3.73Å; D92-L101 HydrophobicContact CB-CD2 3.85Å; D92-L101 HydrophobicContact CB-CG 3.79Å; D92-L101 WeakPolarHBondContact OD2-CD1 3.35Å; D92-Y167 WeakPolarHBondContact OD2-CE2 3.44Å; D92-Y167 PolarHBondContact OD2-OH 3.36Å |
| 93 | L | 96.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.5 | -51.4 | 175.4 | -175.2 | 169 | 0 | 0 | 0 | 111.2 | L70 L71 Q89 F90 M91 F158 Y162 K165 Y167 | L70-L93 HydrophobicContact CD2-CD1 3.59Å; L70-L93 HydrophobicContact CG-CD1 4.03Å; L71-L93 HydrophobicContact CD2-CD1 4.31Å; Q89-L93 PolarHBondContact O-N 3.49Å; F90-L93 WeakPolarHBondContact O-CB 3.41Å; F90-L93 PolarHBondContact O-N 3.28Å; M91-L93 VanDerWaalsContact C-N 3.35Å; L93-F158 HydrophobicContact CD1-CE2 4.31Å; L93-F158 HydrophobicContact CD2-CE2 3.71Å; L93-F158 HydrophobicContact CD2-CZ 3.87Å; L93-Y162 HydrophobicContact CD2-CD2 3.6Å; L93-Y162 HydrophobicContact CD2-CE2 3.42Å; L93-Y162 VanDerWaalsContact CD2-CE2 3.42Å; L93-K165 WeakPolarHBondContact O-CD 3.43Å; L93-Y167 HydrophobicContact CB-CD1 4.15Å; L93-Y167 HydrophobicContact CB-CD2 3.9Å; L93-Y167 HydrophobicContact CB-CE1 4.15Å; L93-Y167 HydrophobicContact CB-CE2 3.92Å; L93-Y167 HydrophobicContact CB-CG 4.01Å; L93-Y167 HydrophobicContact CD1-CD1 3.59Å; L93-Y167 HydrophobicContact CD1-CD2 4.48Å; L93-Y167 HydrophobicContact CD1-CE1 4.17Å; L93-Y167 HydrophobicContact CD1-CG 3.75Å; L93-Y167 HydrophobicContact CG-CD1 3.9Å; L93-Y167 HydrophobicContact CG-CD2 3.86Å; L93-Y167 HydrophobicContact CG-CE1 4.4Å; L93-Y167 HydrophobicContact CG-CE2 4.39Å; L93-Y167 HydrophobicContact CG-CG 3.58Å |
| 94 | L | 96.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.4 | -51.1 | 179.7 | -69.9 | 173.2 | 0 | 0 | 0 | 111 | F90 F157 F158 N161 Y162 K165 | F90-L94 WeakPolarHBondContact O-CG 3.42Å; F90-L94 PolarHBondContact O-N 3.37Å; L94-F157 HydrophobicContact CD1-CD1 4.14Å; L94-F157 HydrophobicContact CD1-CE1 3.75Å; L94-F158 HydrophobicContact CD1-CD2 3.88Å; L94-F158 HydrophobicContact CD2-CD2 3.63Å; L94-F158 HydrophobicContact CD2-CE2 3.7Å; L94-F158 HydrophobicContact CD2-CG 4.17Å; L94-F158 HydrophobicContact CD2-CZ 4.29Å; L94-F158 HydrophobicContact CG-CD2 3.78Å; L94-F158 HydrophobicContact CG-CE2 3.96Å; L94-N161 HydrophobicContact CD2-CB 4.12Å; L94-Y162 HydrophobicContact CD2-CD2 4.26Å; L94-K165 PolarHBondContact O-NZ 3.48Å |
| 95 | F | 95.8 | Very high | 96.3 | Very high | 10 Ų | 10 | 28.5 Ų | 28.5 | 4% | 0.044 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -130.9 | 84.4 | -173.3 | -45.8 | -71.1 | 0 | 0 | 0 | 110.7 | W42 A45 M91 D92 G97 C98 M128 F157 N161 | W42-F95 HydrophobicContact CB-CD1 4.44Å; W42-F95 HydrophobicContact CG-CD1 4.38Å; A45-F95 HydrophobicContact CB-CE1 4.39Å; A45-F95 HydrophobicContact CB-CE2 3.94Å; A45-F95 HydrophobicContact CB-CZ 3.56Å; M91-F95 HydrophobicContact CE-CD2 3.89Å; M91-F95 HydrophobicContact CE-CE2 4.23Å; M91-F95 CarbonylContact O-C 3.47Å; M91-F95 WeakPolarHBondContact O-CA 3.36Å; M91-F95 PolarHBondContact O-N 2.98Å; M91-F95 HydrophobicContact SD-CD2 4.47Å; D92-F95 CarbonylContact O-C 3.48Å; F95-G97 PolarHBondContact O-N 3.18Å; F95-C98 HydrophobicContact CB-CB 3.8Å; F95-C98 WeakPolarHBondContact O-CB 3.5Å; F95-C98 PolarHBondContact O-N 2.97Å; F95-C98 PolarHBondContact O-SG 2.88Å; F95-M128 HydrophobicContact CB-CE 4.07Å; F95-M128 HydrophobicContact CB-CG 4.32Å; F95-M128 HydrophobicContact CB-SD 3.95Å; F95-M128 HydrophobicContact CD1-CE 3.43Å; F95-M128 VanDerWaalsContact CD1-CE 3.43Å; F95-M128 HydrophobicContact CD1-SD 4.42Å; F95-M128 HydrophobicContact CD2-CE 4.07Å; F95-M128 HydrophobicContact CD2-CG 3.85Å; F95-M128 HydrophobicContact CD2-SD 4.37Å; F95-M128 HydrophobicContact CE1-CE 3.77Å; F95-M128 HydrophobicContact CE2-CE 4.37Å; F95-M128 HydrophobicContact CE2-CG 4.35Å; F95-M128 HydrophobicContact CG-CE 3.57Å; F95-M128 HydrophobicContact CG-CG 4.09Å; F95-M128 HydrophobicContact CG-SD 3.99Å; F95-M128 HydrophobicContact CZ-CE 4.21Å; F95-F157 HydrophobicContact CE2-CE1 4.32Å; F95-F157 AromaticContact CE2-CZ 3.96Å; F95-F157 HydrophobicContact CE2-CZ 3.96Å; F95-F157 HydrophobicContact CZ-CZ 4.46Å; F95-N161 HydrophobicContact CE1-CB 4.45Å; F95-N161 HydrophobicContact CZ-CB 3.77Å; F95-N161 WeakPolarHBondContact CZ-OD1 2.9Å |
| 96 | P | 93.1 | Very high | 96.2 | Very high | 32 Ų | 32 | 29 Ų | 29 | 21% | 0.208 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 130.8 | -179.9 | -31 | 35 | 0 | 0 | 0 | 112.7 | Y40 W42 D92 C98 | Y40-P96 WeakPolarHBondContact CD2-O 3.32Å; Y40-P96 HydrophobicContact CE1-CB 4.28Å; Y40-P96 HydrophobicContact CE2-CB 4.49Å; W42-P96 HydrophobicContact CZ2-CG 4.24Å; D92-P96 VanDerWaalsContact O-CA 3.25Å; D92-P96 WeakPolarHBondContact O-CA 3.35Å; D92-P96 WeakPolarHBondContact O-CD 3.4Å; D92-P96 VanDerWaalsContact O-N 3.14Å; P96-C98 VanDerWaalsContact C-N 3.28Å; P96-C98 PolarHBondContact O-N 3.36Å |
| 97 | G | 91.1 | Very high | 95.9 | Very high | 46 Ų | 46 | 32.1 Ų | 32.1 | 47% | 0.474 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | -4.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | F95 V99 | F95-G97 PolarHBondContact O-N 3.18Å; G97-V99 PolarHBondContact O-N 3.41Å |
| 98 | C | 94.9 | Very high | 95.7 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 3% | 0.027 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -73.3 | -11.1 | 175.5 | 84.1 | 0 | 0 | 0 | 0 | 113.3 | M91 F95 P96 S124 R127 M128 | M91-C98 PolarHBondContact O-SG 3.31Å; F95-C98 HydrophobicContact CB-CB 3.8Å; F95-C98 WeakPolarHBondContact O-CB 3.5Å; F95-C98 PolarHBondContact O-N 2.97Å; F95-C98 PolarHBondContact O-SG 2.88Å; P96-C98 VanDerWaalsContact C-N 3.28Å; P96-C98 PolarHBondContact O-N 3.36Å; C98-S124 VanDerWaalsContact O-CB 3.22Å; C98-S124 WeakPolarHBondContact O-CB 3.42Å; C98-R127 PolarHBondContact O-NH1 3.3Å; C98-M128 HydrophobicContact CB-CG 4.01Å; C98-M128 HydrophobicContact CB-SD 3.95Å |
| 99 | V | 96.1 | Very high | 95.5 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 6% | 0.055 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -141.3 | 142.9 | 179.4 | 64.5 | 0 | 0 | 0 | 0 | 109.2 | C88 M91 D92 G97 L101 L120 | C88-V99 HydrophobicContact CB-CG2 4.11Å; C88-V99 VanDerWaalsContact O-CG1 3.31Å; C88-V99 WeakPolarHBondContact O-CG1 3.5Å; M91-V99 HydrophobicContact CB-CG1 4.29Å; D92-V99 HydrophobicContact CB-CG1 3.63Å; G97-V99 PolarHBondContact O-N 3.41Å; V99-L101 HydrophobicContact CG1-CD2 4Å; V99-L101 HydrophobicContact CG1-CG 4.44Å; V99-L101 PolarHBondContact O-N 3.29Å; V99-L120 HydrophobicContact CG2-CB 4.38Å |
| 100 | S | 94.4 | Very high | 95.3 | Very high | 61 Ų | 61 | 43.5 Ų | 43.5 | 43% | 0.427 | 22% | 0.219 | S | C | . | . | trans | -88.4 | 87.2 | 178.6 | -59.8 | 0 | 0 | 0 | 0 | 110.5 | K102 K103 | S100-K102 PolarHBondContact O-N 3.5Å; S100-K102 VanDerWaalsContact O-N 3.13Å; S100-K103 WeakPolarHBondContact O-CB 3.4Å; S100-K103 PolarHBondContact O-N 2.84Å | ||
| 101 | L | 94.9 | Very high | 95.1 | Very high | 21 Ų | 21 | 47 Ų | 47 | 11% | 0.11 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -54.7 | -33.2 | -179.1 | -71.4 | -167.7 | 0 | 0 | 0 | 114.1 | D92 V99 K103 V104 F106 A172 | D92-L101 HydrophobicContact CB-CD1 3.73Å; D92-L101 HydrophobicContact CB-CD2 3.85Å; D92-L101 HydrophobicContact CB-CG 3.79Å; D92-L101 WeakPolarHBondContact OD2-CD1 3.35Å; V99-L101 HydrophobicContact CG1-CD2 4Å; V99-L101 HydrophobicContact CG1-CG 4.44Å; V99-L101 PolarHBondContact O-N 3.29Å; L101-K103 PolarHBondContact O-N 3.08Å; L101-V104 HydrophobicContact CD2-CG2 4.09Å; L101-V104 WeakPolarHBondContact O-CB 3.36Å; L101-V104 PolarHBondContact O-N 3.48Å; L101-F106 HydrophobicContact CD2-CZ 4.24Å; L101-A172 HydrophobicContact CD1-CB 3.98Å |
| 102 | K | 94.1 | Very high | 95 | Very high | 172 Ų | 172 | 52.9 Ų | 52.9 | 75% | 0.748 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -57.6 | -23.1 | 174.5 | -66.3 | -176 | 178 | -179.2 | 0 | 114.4 | S100 | S100-K102 PolarHBondContact O-N 3.5Å; S100-K102 VanDerWaalsContact O-N 3.13Å |
| 103 | K | 96.3 | Very high | 95.1 | Very high | 130 Ų | 130 | 53.2 Ų | 53.2 | 57% | 0.565 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -94.9 | -12 | 178.9 | -63.5 | -178.1 | 178.7 | 173.6 | 0 | 112.4 | S100 L101 H116 L120 | S100-K103 WeakPolarHBondContact O-CB 3.4Å; S100-K103 PolarHBondContact O-N 2.84Å; L101-K103 PolarHBondContact O-N 3.08Å; K103-H116 PolarHBondContact O-NE2 3.33Å; K103-L120 HydrophobicContact CB-CD1 3.84Å; K103-L120 HydrophobicContact CB-CD2 4.24Å; K103-L120 HydrophobicContact CD-CD2 4.42Å |
| 104 | V | 97.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.03 | 27% | 0.265 | C | S | . | . | trans | -72.5 | 133.9 | 179.8 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | A85 C88 L101 F106 L120 | A85-V104 HydrophobicContact CB-CG1 3.96Å; C88-V104 HydrophobicContact CB-CG1 4.11Å; C88-V104 HydrophobicContact CB-CG2 3.59Å; L101-V104 HydrophobicContact CD2-CG2 4.09Å; L101-V104 WeakPolarHBondContact O-CB 3.36Å; L101-V104 PolarHBondContact O-N 3.48Å; V104-F106 HydrophobicContact CB-CD2 4.34Å; V104-F106 HydrophobicContact CB-CE2 3.87Å; V104-F106 HydrophobicContact CB-CZ 4.13Å; V104-F106 HydrophobicContact CG1-CD1 4.33Å; V104-F106 HydrophobicContact CG1-CD2 4.18Å; V104-F106 HydrophobicContact CG1-CE1 4.09Å; V104-F106 HydrophobicContact CG1-CE2 3.92Å; V104-F106 HydrophobicContact CG1-CG 4.38Å; V104-F106 HydrophobicContact CG1-CZ 3.88Å; V104-F106 PolarHBondContact O-N 3.36Å; V104-L120 HydrophobicContact CG2-CD1 3.85Å | ||
| 105 | K | 96.7 | Very high | 95.3 | Very high | 76 Ų | 76 | 56.2 Ų | 56.2 | 33% | 0.33 | 28% | 0.278 | S | S | . | . | trans | -92.1 | 90.5 | 175.1 | -65 | -177.6 | 165.7 | -154.9 | 0 | 109 | Q107 A108 E113 N117 | K105-Q107 PolarHBondContact O-N 3.49Å; K105-A108 HydrophobicContact CB-CB 4.05Å; K105-A108 WeakPolarHBondContact O-CB 3.36Å; K105-A108 PolarHBondContact O-N 3.19Å; K105-E113 HydrophobicContact CD-CB 3.74Å; K105-E113 HydrophobicContact CD-CG 4.07Å; K105-E113 IonicContact NZ-OE1 2.95Å; K105-E113 PolarHBondContact NZ-OE1 2.79Å; K105-N117 PolarHBondContact N-OD1 3.04Å; K105-N117 PolarHBondContact O-ND2 2.86Å | ||
| 106 | F | 95.6 | Very high | 95.4 | Very high | 13 Ų | 13 | 59 Ų | 59 | 6% | 0.057 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -19.5 | 177.8 | -71.4 | -77.7 | 0 | 0 | 0 | 113.7 | A85 Q89 L101 V104 R173 A178 | A85-F106 HydrophobicContact CB-CD1 4.06Å; A85-F106 HydrophobicContact CB-CE1 4.49Å; Q89-F106 HydrophobicContact CB-CE1 4.29Å; L101-F106 HydrophobicContact CD2-CZ 4.24Å; V104-F106 HydrophobicContact CB-CD2 4.34Å; V104-F106 HydrophobicContact CB-CE2 3.87Å; V104-F106 HydrophobicContact CB-CZ 4.13Å; V104-F106 HydrophobicContact CG1-CD1 4.33Å; V104-F106 HydrophobicContact CG1-CD2 4.18Å; V104-F106 HydrophobicContact CG1-CE1 4.09Å; V104-F106 HydrophobicContact CG1-CE2 3.92Å; V104-F106 HydrophobicContact CG1-CG 4.38Å; V104-F106 HydrophobicContact CG1-CZ 3.88Å; V104-F106 PolarHBondContact O-N 3.36Å; F106-R173 HydrophobicContact CD1-CG 4.04Å; F106-R173 HydrophobicContact CD2-CG 4.29Å; F106-R173 HydrophobicContact CE1-CG 3.7Å; F106-R173 HydrophobicContact CE2-CG 3.97Å; F106-R173 HydrophobicContact CG-CG 4.32Å; F106-R173 HydrophobicContact CZ-CG 3.66Å; F106-A178 HydrophobicContact CB-CB 4.41Å; F106-A178 HydrophobicContact CD1-CB 4.3Å |
| 107 | Q | 93.1 | Very high | 95.7 | Very high | 66 Ų | 66 | 57.5 Ų | 57.5 | 31% | 0.308 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 24.2 | -179 | -68.3 | -66.6 | -25.2 | 0 | 0 | 112.5 | K105 K109 D177 I179 | K105-Q107 PolarHBondContact O-N 3.49Å; Q107-K109 PolarHBondContact O-N 3.12Å; Q107-D177 PolarHBondContact NE2-O 3.36Å; Q107-I179 VanDerWaalsContact OE1-CB 3.29Å |
| 108 | A | 93.9 | Very high | 96 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | trans | -61.2 | 135.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | K105 E113 Y114 | K105-A108 HydrophobicContact CB-CB 4.05Å; K105-A108 WeakPolarHBondContact O-CB 3.36Å; K105-A108 PolarHBondContact O-N 3.19Å; A108-E113 HydrophobicContact CB-CB 3.68Å; A108-Y114 HydrophobicContact CB-CD1 3.65Å; A108-Y114 HydrophobicContact CB-CE1 3.67Å | ||
| 109 | K | 93.6 | Very high | 96.2 | Very high | 110 Ų | 110 | 61.5 Ų | 61.5 | 48% | 0.478 | 29% | 0.285 | S | S | . | . | trans | -124 | -19.7 | 179.1 | -65.8 | -178.8 | -178.7 | -179.3 | 0 | 113.3 | Q107 E113 Y114 P182 | Q107-K109 PolarHBondContact O-N 3.12Å; K109-E113 PolarHBondContact N-OE2 3.38Å; K109-Y114 PolarHBondContact O-OH 3.09Å; K109-P182 HydrophobicContact CB-CG 4.14Å; K109-P182 HydrophobicContact CG-CG 4.2Å | ||
| 110 | F | 93.6 | Very high | 96.3 | Very high | 126 Ų | 126 | 62.5 Ų | 62.5 | 55% | 0.553 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -115.9 | 150.7 | -175.8 | -57.3 | -72.1 | 0 | 0 | 0 | 111.8 | H112 E113 Y114 | F110-H112 VanDerWaalsContact C-N 3.27Å; F110-H112 WeakPolarHBondContact CB-CE1 3.38Å; F110-H112 WeakPolarHBondContact CB-ND1 3.31Å; F110-H112 AromaticContact CD2-CE1 3.99Å; F110-H112 AromaticContact CG-CE1 3.92Å; F110-H112 PolarHBondContact O-N 3.03Å; F110-E113 HydrophobicContact CB-CG 4.24Å; F110-E113 PolarHBondContact N-OE2 2.97Å; F110-E113 WeakPolarHBondContact O-CA 3.41Å; F110-E113 VanDerWaalsContact O-CB 3.24Å; F110-E113 WeakPolarHBondContact O-CB 3.47Å; F110-E113 PolarHBondContact O-N 3.32Å; F110-Y114 WeakPolarHBondContact O-CD1 3.36Å; F110-Y114 PolarHBondContact O-N 3.29Å |
| 111 | E | 95.2 | Very high | 96.5 | Very high | 75 Ų | 75 | 59.6 Ų | 59.6 | 35% | 0.35 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -54.6 | -40 | -177.2 | -168.2 | 178.7 | 130.2 | 0 | 0 | 113.4 | E113 Y114 I115 V140 K141 | E111-E113 PolarHBondContact O-N 2.86Å; E111-Y114 WeakPolarHBondContact O-CB 3.22Å; E111-Y114 PolarHBondContact O-N 3.3Å; E111-Y114 VanDerWaalsContact O-N 3.08Å; E111-I115 HydrophobicContact CG-CD1 4.31Å; E111-I115 WeakPolarHBondContact O-CG1 3.3Å; E111-I115 PolarHBondContact O-N 3.36Å; E111-V140 HydrophobicContact CG-CB 3.89Å; E111-V140 HydrophobicContact CG-CG2 3.73Å; E111-K141 WeakPolarHBondContact OE1-CE 3.35Å; E111-K141 IonicContact OE1-NZ 3.7Å; E111-K141 PolarHBondContact OE1-NZ 3.34Å; E111-K141 IonicContact OE2-NZ 2.84Å; E111-K141 PolarHBondContact OE2-NZ 3.15Å |
| 112 | H | 96.4 | Very high | 96.7 | Very high | 123 Ų | 123 | 62.7 Ų | 62.7 | 57% | 0.569 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.8 | -25.3 | 178.1 | 70 | -89.6 | 0 | 0 | 0 | 113 | F110 H116 | F110-H112 VanDerWaalsContact C-N 3.27Å; F110-H112 WeakPolarHBondContact CB-CE1 3.38Å; F110-H112 WeakPolarHBondContact CB-ND1 3.31Å; F110-H112 AromaticContact CD2-CE1 3.99Å; F110-H112 AromaticContact CG-CE1 3.92Å; F110-H112 PolarHBondContact O-N 3.03Å; H112-H116 PolarHBondContact O-N 3.48Å |
| 113 | E | 97.8 | Very high | 96.9 | Very high | 33 Ų | 33 | 56.8 Ų | 56.8 | 15% | 0.154 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -79.1 | -35.9 | 174.1 | -52.1 | -168.6 | 103 | 0 | 0 | 111.6 | K105 A108 K109 F110 E111 H116 N117 | K105-E113 HydrophobicContact CD-CB 3.74Å; K105-E113 HydrophobicContact CD-CG 4.07Å; K105-E113 IonicContact NZ-OE1 2.95Å; K105-E113 PolarHBondContact NZ-OE1 2.79Å; A108-E113 HydrophobicContact CB-CB 3.68Å; K109-E113 PolarHBondContact N-OE2 3.38Å; F110-E113 HydrophobicContact CB-CG 4.24Å; F110-E113 PolarHBondContact N-OE2 2.97Å; F110-E113 WeakPolarHBondContact O-CA 3.41Å; F110-E113 VanDerWaalsContact O-CB 3.24Å; F110-E113 WeakPolarHBondContact O-CB 3.47Å; F110-E113 PolarHBondContact O-N 3.32Å; E111-E113 PolarHBondContact O-N 2.86Å; E113-H116 WeakPolarHBondContact O-CB 3.49Å; E113-H116 PolarHBondContact O-N 3.43Å; E113-N117 PolarHBondContact O-N 3.32Å; E113-N117 VanDerWaalsContact O-N 3.09Å |
| 114 | Y | 98.3 | Very high | 96.9 | Very high | 12 Ų | 12 | 50.6 Ų | 50.6 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.3 | -45.4 | 172.7 | -54.9 | -14.9 | 0 | 0 | 0 | 110.6 | S82 S83 A108 K109 F110 E111 H116 N117 F118 P181 | S82-Y114 WeakPolarHBondContact O-CB 3.47Å; S83-Y114 VanDerWaalsContact CA-CD1 3.46Å; A108-Y114 HydrophobicContact CB-CD1 3.65Å; A108-Y114 HydrophobicContact CB-CE1 3.67Å; K109-Y114 PolarHBondContact O-OH 3.09Å; F110-Y114 WeakPolarHBondContact O-CD1 3.36Å; F110-Y114 PolarHBondContact O-N 3.29Å; E111-Y114 WeakPolarHBondContact O-CB 3.22Å; E111-Y114 PolarHBondContact O-N 3.3Å; E111-Y114 VanDerWaalsContact O-N 3.08Å; Y114-H116 VanDerWaalsContact C-N 3.26Å; Y114-H116 PolarHBondContact O-N 2.93Å; Y114-N117 PolarHBondContact O-N 2.89Å; Y114-N117 VanDerWaalsContact O-N 3.13Å; Y114-F118 VanDerWaalsContact O-CD2 3.32Å; Y114-F118 WeakPolarHBondContact O-CD2 3.48Å; Y114-F118 PolarHBondContact O-N 3.35Å; Y114-P181 HydrophobicContact CE1-CB 4.37Å; Y114-P181 WeakPolarHBondContact OH-CB 3.28Å |
| 115 | I | 98.3 | Very high | 97 | Very high | 54 Ų | 54 | 50.7 Ų | 50.7 | 28% | 0.277 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.3 | -41.6 | 174.7 | -66.6 | 168.3 | 0 | 0 | 0 | 110.7 | E111 F118 K119 V140 | E111-I115 HydrophobicContact CG-CD1 4.31Å; E111-I115 WeakPolarHBondContact O-CG1 3.3Å; E111-I115 PolarHBondContact O-N 3.36Å; I115-F118 PolarHBondContact O-N 3.29Å; I115-K119 WeakPolarHBondContact O-CG 3.21Å; I115-K119 PolarHBondContact O-N 2.7Å; I115-V140 HydrophobicContact CG1-CB 4.43Å; I115-V140 HydrophobicContact CG1-CG1 3.94Å; I115-V140 HydrophobicContact CG1-CG2 4.27Å |
| 116 | H | 98.7 | Very high | 96.9 | Very high | 69 Ų | 69 | 55.5 Ų | 55.5 | 32% | 0.319 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.6 | -47.4 | 175.5 | 169.2 | 87.4 | 0 | 0 | 0 | 112 | K103 H112 E113 Y114 K119 L120 | K103-H116 PolarHBondContact O-NE2 3.33Å; H112-H116 PolarHBondContact O-N 3.48Å; E113-H116 WeakPolarHBondContact O-CB 3.49Å; E113-H116 PolarHBondContact O-N 3.43Å; Y114-H116 VanDerWaalsContact C-N 3.26Å; Y114-H116 PolarHBondContact O-N 2.93Å; H116-K119 PolarHBondContact O-N 3.04Å; H116-L120 PolarHBondContact O-N 3.43Å |
| 117 | N | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 176 | -71.8 | -18.3 | 0 | 0 | 0 | 111.7 | S83 C88 K105 E113 Y114 K119 L120 L121 | S83-N117 VanDerWaalsContact O-CB 3.25Å; S83-N117 WeakPolarHBondContact O-CB 3.47Å; S83-N117 PolarHBondContact O-ND2 3.47Å; C88-N117 PolarHBondContact SG-O 3.44Å; C88-N117 VanDerWaalsContact SG-O 3.39Å; K105-N117 PolarHBondContact N-OD1 3.04Å; K105-N117 PolarHBondContact O-ND2 2.86Å; E113-N117 PolarHBondContact O-N 3.32Å; E113-N117 VanDerWaalsContact O-N 3.09Å; Y114-N117 PolarHBondContact O-N 2.89Å; Y114-N117 VanDerWaalsContact O-N 3.13Å; N117-K119 VanDerWaalsContact C-N 3.29Å; N117-K119 PolarHBondContact O-N 2.84Å; N117-L120 WeakPolarHBondContact O-CB 3.4Å; N117-L120 PolarHBondContact O-N 3.13Å; N117-L121 PolarHBondContact O-N 2.92Å |
| 118 | F | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.5 | -31.4 | 176.7 | -82.9 | -64.4 | 0 | 0 | 0 | 113.6 | S82 Y87 Y114 I115 L120 L121 Q122 I134 V136 L139 V140 | S82-F118 WeakPolarHBondContact O-CE2 3.5Å; Y87-F118 HydrophobicContact CD2-CE1 4.05Å; Y87-F118 HydrophobicContact CD2-CZ 4.37Å; Y87-F118 HydrophobicContact CE2-CE1 4.35Å; Y87-F118 HydrophobicContact CE2-CZ 4.4Å; Y114-F118 VanDerWaalsContact O-CD2 3.32Å; Y114-F118 WeakPolarHBondContact O-CD2 3.48Å; Y114-F118 PolarHBondContact O-N 3.35Å; I115-F118 PolarHBondContact O-N 3.29Å; F118-L120 VanDerWaalsContact C-N 3.33Å; F118-L121 HydrophobicContact CD1-CD2 3.87Å; F118-L121 HydrophobicContact CE1-CD2 4.06Å; F118-L121 WeakPolarHBondContact O-CB 3.46Å; F118-L121 PolarHBondContact O-N 3.04Å; F118-Q122 WeakPolarHBondContact O-CG 3.49Å; F118-Q122 PolarHBondContact O-N 3Å; F118-I134 HydrophobicContact CD1-CG2 3.86Å; F118-I134 HydrophobicContact CE1-CG2 4.08Å; F118-V136 HydrophobicContact CB-CG1 3.82Å; F118-V136 HydrophobicContact CB-CG2 3.9Å; F118-V136 HydrophobicContact CD2-CG1 4.13Å; F118-V136 HydrophobicContact CG-CG1 4.12Å; F118-V136 HydrophobicContact CG-CG2 4.25Å; F118-L139 HydrophobicContact CE1-CB 4.42Å; F118-L139 HydrophobicContact CE1-CD1 3.63Å; F118-L139 HydrophobicContact CE2-CB 3.92Å; F118-L139 HydrophobicContact CZ-CB 3.66Å; F118-L139 HydrophobicContact CZ-CD1 3.69Å; F118-L139 HydrophobicContact CZ-CG 4.31Å; F118-V140 HydrophobicContact CD2-CG1 3.45Å; F118-V140 VanDerWaalsContact CD2-CG1 3.45Å; F118-V140 HydrophobicContact CE2-CG1 3.63Å |
| 119 | K | 98.4 | Very high | 97.2 | Very high | 133 Ų | 133 | 63.8 Ų | 63.8 | 58% | 0.578 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.2 | -36.8 | 171.6 | -75.5 | -179 | 178.4 | -177.6 | 0 | 112.2 | I115 H116 N117 L121 A123 | I115-K119 WeakPolarHBondContact O-CG 3.21Å; I115-K119 PolarHBondContact O-N 2.7Å; H116-K119 PolarHBondContact O-N 3.04Å; N117-K119 VanDerWaalsContact C-N 3.29Å; N117-K119 PolarHBondContact O-N 2.84Å; K119-L121 VanDerWaalsContact C-N 3.35Å; K119-A123 WeakPolarHBondContact O-CB 3.42Å; K119-A123 PolarHBondContact O-N 3Å; K119-A123 VanDerWaalsContact O-N 3.08Å |
| 120 | L | 98.5 | Very high | 97.3 | Very high | 30 Ų | 30 | 59.2 Ų | 59.2 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 172.8 | -63.9 | 173.9 | 0 | 0 | 0 | 111 | V99 K103 V104 H116 N117 F118 A123 S124 | V99-L120 HydrophobicContact CG2-CB 4.38Å; K103-L120 HydrophobicContact CB-CD1 3.84Å; K103-L120 HydrophobicContact CB-CD2 4.24Å; K103-L120 HydrophobicContact CD-CD2 4.42Å; V104-L120 HydrophobicContact CG2-CD1 3.85Å; H116-L120 PolarHBondContact O-N 3.43Å; N117-L120 WeakPolarHBondContact O-CB 3.4Å; N117-L120 PolarHBondContact O-N 3.13Å; F118-L120 VanDerWaalsContact C-N 3.33Å; L120-A123 PolarHBondContact O-N 2.96Å; L120-S124 PolarHBondContact O-N 3.06Å |
| 121 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.8 | -48.9 | 175.8 | -174.9 | 62.3 | 0 | 0 | 0 | 111.9 | Y87 M91 N117 F118 K119 A123 S124 F125 I134 F150 | Y87-L121 VanDerWaalsContact CB-CD2 3.43Å; Y87-L121 HydrophobicContact CD2-CD2 4.26Å; Y87-L121 HydrophobicContact CG-CD2 4Å; M91-L121 HydrophobicContact CG-CD1 3.54Å; N117-L121 PolarHBondContact O-N 2.92Å; F118-L121 HydrophobicContact CD1-CD2 3.87Å; F118-L121 HydrophobicContact CE1-CD2 4.06Å; F118-L121 WeakPolarHBondContact O-CB 3.46Å; F118-L121 PolarHBondContact O-N 3.04Å; K119-L121 VanDerWaalsContact C-N 3.35Å; L121-A123 VanDerWaalsContact C-N 3.28Å; L121-A123 PolarHBondContact O-N 2.77Å; L121-S124 WeakPolarHBondContact O-CA 3.49Å; L121-S124 WeakPolarHBondContact O-CB 3.41Å; L121-S124 PolarHBondContact O-N 2.94Å; L121-S124 PolarHBondContact O-OG 3.32Å; L121-F125 HydrophobicContact CD1-CD1 4.08Å; L121-F125 HydrophobicContact CD1-CE1 3.67Å; L121-F125 HydrophobicContact CD1-CZ 4.45Å; L121-F125 HydrophobicContact CG-CD1 4.33Å; L121-F125 HydrophobicContact CG-CE1 4.06Å; L121-F125 PolarHBondContact O-N 2.98Å; L121-I134 HydrophobicContact CB-CD1 4.33Å; L121-I134 HydrophobicContact CD2-CD1 3.7Å; L121-I134 HydrophobicContact CG-CD1 3.65Å; L121-F150 HydrophobicContact CD2-CE1 4.49Å; L121-F150 HydrophobicContact CD2-CZ 4.49Å |
| 122 | Q | 98.5 | Very high | 97.5 | Very high | 87 Ų | 87 | 56 Ų | 56 | 41% | 0.407 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -56.8 | -40.9 | 175.5 | -74.4 | 177.3 | -36.2 | 0 | 0 | 112.2 | F118 S124 F125 K126 I134 | F118-Q122 WeakPolarHBondContact O-CG 3.49Å; F118-Q122 PolarHBondContact O-N 3Å; Q122-S124 VanDerWaalsContact C-N 3.32Å; Q122-S124 PolarHBondContact O-N 2.9Å; Q122-F125 PolarHBondContact O-N 3.35Å; Q122-K126 PolarHBondContact O-N 2.91Å; Q122-I134 HydrophobicContact CG-CB 4.47Å; Q122-I134 HydrophobicContact CG-CD1 3.89Å; Q122-I134 HydrophobicContact CG-CG1 4.46Å |
| 123 | A | 97.9 | Very high | 97.5 | Very high | 48 Ų | 48 | 57 Ų | 57 | 40% | 0.397 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.6 | -36.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K119 L120 L121 R127 | K119-A123 WeakPolarHBondContact O-CB 3.42Å; K119-A123 PolarHBondContact O-N 3Å; K119-A123 VanDerWaalsContact O-N 3.08Å; L120-A123 PolarHBondContact O-N 2.96Å; L121-A123 VanDerWaalsContact C-N 3.28Å; L121-A123 PolarHBondContact O-N 2.77Å; A123-R127 WeakPolarHBondContact O-CB 3.39Å; A123-R127 PolarHBondContact O-N 2.63Å; A123-R127 VanDerWaalsContact O-N 3.09Å |
| 124 | S | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.9 | -40 | 174.4 | 72.3 | 0 | 0 | 0 | 0 | 112.4 | C98 L120 L121 Q122 K126 R127 M128 | C98-S124 VanDerWaalsContact O-CB 3.22Å; C98-S124 WeakPolarHBondContact O-CB 3.42Å; L120-S124 PolarHBondContact O-N 3.06Å; L121-S124 WeakPolarHBondContact O-CA 3.49Å; L121-S124 WeakPolarHBondContact O-CB 3.41Å; L121-S124 PolarHBondContact O-N 2.94Å; L121-S124 PolarHBondContact O-OG 3.32Å; Q122-S124 VanDerWaalsContact C-N 3.32Å; Q122-S124 PolarHBondContact O-N 2.9Å; S124-K126 PolarHBondContact O-N 3.04Å; S124-R127 PolarHBondContact O-N 3.47Å; S124-M128 WeakPolarHBondContact O-CG 3.02Å; S124-M128 PolarHBondContact O-N 3.08Å |
| 125 | F | 97.8 | Very high | 97.5 | Very high | 6 Ų | 6 | 57.4 Ų | 57.4 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.1 | -47.9 | 174.6 | -85.3 | 29.8 | 0 | 0 | 0 | 110.8 | M91 L121 Q122 R127 M128 N129 V130 K132 I134 F150 W153 F154 | M91-F125 HydrophobicContact CE-CD1 3.93Å; M91-F125 HydrophobicContact CE-CE1 4.2Å; M91-F125 HydrophobicContact CG-CE1 4.2Å; M91-F125 HydrophobicContact SD-CD1 4.08Å; M91-F125 HydrophobicContact SD-CE1 3.72Å; L121-F125 HydrophobicContact CD1-CD1 4.08Å; L121-F125 HydrophobicContact CD1-CE1 3.67Å; L121-F125 HydrophobicContact CD1-CZ 4.45Å; L121-F125 HydrophobicContact CG-CD1 4.33Å; L121-F125 HydrophobicContact CG-CE1 4.06Å; L121-F125 PolarHBondContact O-N 2.98Å; Q122-F125 PolarHBondContact O-N 3.35Å; F125-R127 VanDerWaalsContact C-N 3.3Å; F125-R127 PolarHBondContact O-N 3.02Å; F125-M128 CarbonylContact O-C 3.51Å; F125-M128 PolarHBondContact O-N 2.55Å; F125-N129 WeakPolarHBondContact O-CA 3.47Å; F125-N129 PolarHBondContact O-N 3.21Å; F125-V130 HydrophobicContact CB-CB 3.9Å; F125-V130 HydrophobicContact CD1-CB 4.39Å; F125-V130 HydrophobicContact CD1-CG2 4.48Å; F125-V130 HydrophobicContact CD2-CB 3.91Å; F125-V130 HydrophobicContact CD2-CG1 3.56Å; F125-V130 HydrophobicContact CE2-CG1 3.78Å; F125-V130 HydrophobicContact CG-CB 3.83Å; F125-V130 HydrophobicContact CG-CG1 3.96Å; F125-V130 HydrophobicContact CG-CG2 4.38Å; F125-V130 HydrophobicContact CZ-CG1 4.34Å; F125-V130 PolarHBondContact O-N 3.09Å; F125-K132 HydrophobicContact CE2-CB 4.37Å; F125-I134 HydrophobicContact CD2-CD1 3.7Å; F125-I134 HydrophobicContact CD2-CG1 3.86Å; F125-I134 HydrophobicContact CE2-CD1 3.67Å; F125-I134 HydrophobicContact CE2-CG1 3.72Å; F125-I134 HydrophobicContact CG-CD1 4.14Å; F125-I134 HydrophobicContact CZ-CD1 4.1Å; F125-I134 HydrophobicContact CZ-CG1 4.5Å; F125-F150 HydrophobicContact CZ-CZ 4.44Å; F125-W153 AromaticContact CE2-CH2 3.73Å; F125-W153 HydrophobicContact CE2-CH2 3.73Å; F125-W153 AromaticContact CE2-CZ3 3.91Å; F125-W153 HydrophobicContact CE2-CZ3 3.91Å; F125-W153 AromaticContact CZ-CH2 3.85Å; F125-W153 HydrophobicContact CZ-CH2 3.85Å; F125-W153 AromaticContact CZ-CZ3 3.82Å; F125-W153 HydrophobicContact CZ-CZ3 3.82Å; F125-F154 HydrophobicContact CE1-CE2 4.14Å; F125-F154 HydrophobicContact CZ-CD2 4.29Å; F125-F154 HydrophobicContact CZ-CE2 4.06Å |
| 126 | K | 96.3 | Very high | 97.5 | Very high | 177 Ų | 177 | 55.9 Ų | 55.9 | 77% | 0.77 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -59.5 | -40.2 | 176 | -173.7 | 176.6 | -178.4 | 177.5 | 0 | 112.3 | Q122 S124 N129 | Q122-K126 PolarHBondContact O-N 2.91Å; S124-K126 PolarHBondContact O-N 3.04Å; K126-N129 PolarHBondContact O-N 2.88Å |
| 127 | R | 95.6 | Very high | 97.4 | Very high | 154 Ų | 154 | 60.7 Ų | 60.7 | 58% | 0.581 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.6 | -38.6 | 179 | -178.7 | 176.8 | -69.3 | 111.6 | 2.3 | 112.3 | C98 A123 S124 F125 N129 | C98-R127 PolarHBondContact O-NH1 3.3Å; A123-R127 WeakPolarHBondContact O-CB 3.39Å; A123-R127 PolarHBondContact O-N 2.63Å; A123-R127 VanDerWaalsContact O-N 3.09Å; S124-R127 PolarHBondContact O-N 3.47Å; F125-R127 VanDerWaalsContact C-N 3.3Å; F125-R127 PolarHBondContact O-N 3.02Å; R127-N129 VanDerWaalsContact C-N 3.31Å |
| 128 | M | 96.1 | Very high | 97.3 | Very high | 14 Ų | 14 | 65.8 Ų | 65.8 | 7% | 0.069 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -90.3 | 2.6 | 179.5 | -61.2 | -51.8 | -54.9 | 0 | 0 | 113.3 | W42 G43 A45 M91 F95 C98 S124 F125 V130 | W42-M128 HydrophobicContact CB-CE 4.11Å; G43-M128 WeakPolarHBondContact O-CE 3.02Å; A45-M128 HydrophobicContact CB-CB 3.96Å; A45-M128 PolarHBondContact N-O 3.31Å; M91-M128 HydrophobicContact CE-CG 4.1Å; F95-M128 HydrophobicContact CB-CE 4.07Å; F95-M128 HydrophobicContact CB-CG 4.32Å; F95-M128 HydrophobicContact CB-SD 3.95Å; F95-M128 HydrophobicContact CD1-CE 3.43Å; F95-M128 VanDerWaalsContact CD1-CE 3.43Å; F95-M128 HydrophobicContact CD1-SD 4.42Å; F95-M128 HydrophobicContact CD2-CE 4.07Å; F95-M128 HydrophobicContact CD2-CG 3.85Å; F95-M128 HydrophobicContact CD2-SD 4.37Å; F95-M128 HydrophobicContact CE1-CE 3.77Å; F95-M128 HydrophobicContact CE2-CE 4.37Å; F95-M128 HydrophobicContact CE2-CG 4.35Å; F95-M128 HydrophobicContact CG-CE 3.57Å; F95-M128 HydrophobicContact CG-CG 4.09Å; F95-M128 HydrophobicContact CG-SD 3.99Å; F95-M128 HydrophobicContact CZ-CE 4.21Å; C98-M128 HydrophobicContact CB-CG 4.01Å; C98-M128 HydrophobicContact CB-SD 3.95Å; S124-M128 WeakPolarHBondContact O-CG 3.02Å; S124-M128 PolarHBondContact O-N 3.08Å; F125-M128 CarbonylContact O-C 3.51Å; F125-M128 PolarHBondContact O-N 2.55Å; M128-V130 VanDerWaalsContact C-N 3.3Å; M128-V130 HydrophobicContact CB-CG2 4.11Å; M128-V130 PolarHBondContact O-N 2.87Å |
| 129 | N | 95.8 | Very high | 97.3 | Very high | 89 Ų | 89 | 65.8 Ų | 65.8 | 48% | 0.476 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 41.6 | -177.4 | -150.5 | 81.3 | 0 | 0 | 0 | 114 | M44 N47 F125 K126 R127 | M44-N129 HydrophobicContact CB-CB 4.48Å; M44-N129 HydrophobicContact CE-CB 3.2Å; M44-N129 WeakPolarHBondContact CE-ND2 3.48Å; M44-N129 HydrophobicContact CG-CB 4.38Å; N47-N129 PolarHBondContact ND2-O 2.99Å; N47-N129 VanDerWaalsContact ND2-O 3.09Å; F125-N129 WeakPolarHBondContact O-CA 3.47Å; F125-N129 PolarHBondContact O-N 3.21Å; K126-N129 PolarHBondContact O-N 2.88Å; R127-N129 VanDerWaalsContact C-N 3.31Å |
| 130 | V | 97.2 | Very high | 97.2 | Very high | 14 Ų | 14 | 59.8 Ų | 59.8 | 9% | 0.085 | 29% | 0.292 | C | S | . | . | trans | -79.1 | 122.2 | 170.7 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | A45 N47 F125 M128 K132 W153 F157 | A45-V130 HydrophobicContact CB-CG2 3.81Å; N47-V130 WeakPolarHBondContact OD1-CA 3.41Å; F125-V130 HydrophobicContact CB-CB 3.9Å; F125-V130 HydrophobicContact CD1-CB 4.39Å; F125-V130 HydrophobicContact CD1-CG2 4.48Å; F125-V130 HydrophobicContact CD2-CB 3.91Å; F125-V130 HydrophobicContact CD2-CG1 3.56Å; F125-V130 HydrophobicContact CE2-CG1 3.78Å; F125-V130 HydrophobicContact CG-CB 3.83Å; F125-V130 HydrophobicContact CG-CG1 3.96Å; F125-V130 HydrophobicContact CG-CG2 4.38Å; F125-V130 HydrophobicContact CZ-CG1 4.34Å; F125-V130 PolarHBondContact O-N 3.09Å; M128-V130 VanDerWaalsContact C-N 3.3Å; M128-V130 HydrophobicContact CB-CG2 4.11Å; M128-V130 PolarHBondContact O-N 2.87Å; V130-K132 HydrophobicContact CG1-CB 4.16Å; V130-W153 HydrophobicContact CG1-CH2 3.98Å; V130-W153 HydrophobicContact CG1-CZ2 4.3Å; V130-F157 HydrophobicContact CG1-CE2 4.14Å; V130-F157 HydrophobicContact CG1-CZ 4.47Å; V130-F157 HydrophobicContact CG2-CE2 3.7Å; V130-F157 HydrophobicContact CG2-CZ 3.58Å | ||
| 131 | D | 94.6 | Very high | 97.1 | Very high | 79 Ų | 79 | 63.7 Ų | 63.7 | 42% | 0.422 | 31% | 0.308 | S | S | . | . | trans | -89.9 | -11.1 | -173.8 | 66.8 | -5.1 | 0 | 0 | 0 | 113.9 | N47 Y49 I133 | N47-D131 PolarHBondContact OD1-N 2.7Å; N47-D131 PolarHBondContact OD1-OD1 2.98Å; N47-D131 VanDerWaalsContact OD1-OD1 3.04Å; Y49-D131 VanDerWaalsContact CE1-OD2 3.3Å; Y49-D131 WeakPolarHBondContact CE1-OD2 3.37Å; Y49-D131 PolarHBondContact OH-OD2 3.08Å; D131-I133 PolarHBondContact O-N 3.1Å | ||
| 132 | K | 97 | Very high | 97 | Very high | 53 Ų | 53 | 64.3 Ų | 64.3 | 23% | 0.23 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 121.2 | 175.4 | -176.7 | 71 | 176 | -110.5 | 0 | 111.5 | F125 V130 W153 | F125-K132 HydrophobicContact CE2-CB 4.37Å; V130-K132 HydrophobicContact CG1-CB 4.16Å; K132-W153 HydrophobicContact CB-CD2 4.45Å; K132-W153 HydrophobicContact CB-CH2 3.4Å; K132-W153 HydrophobicContact CB-CZ2 3.16Å; K132-W153 HydrophobicContact CB-CZ3 4.12Å; K132-W153 HydrophobicContact CD-CD2 3.94Å; K132-W153 HydrophobicContact CD-CE3 4.46Å; K132-W153 HydrophobicContact CD-CG 4.32Å; K132-W153 HydrophobicContact CD-CZ2 4.1Å; K132-W153 HydrophobicContact CG-CD2 3.77Å; K132-W153 VanDerWaalsContact CG-CE2 3.49Å; K132-W153 HydrophobicContact CG-CE3 3.85Å; K132-W153 HydrophobicContact CG-CH2 3.56Å; K132-W153 HydrophobicContact CG-CZ2 3.43Å; K132-W153 VanDerWaalsContact CG-CZ2 3.43Å; K132-W153 HydrophobicContact CG-CZ3 3.75Å |
| 133 | I | 96.8 | Very high | 96.8 | Very high | 144 Ų | 144 | 67.4 Ų | 67.4 | 74% | 0.738 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 127.8 | 172.1 | -58.8 | 173.8 | 0 | 0 | 0 | 109.4 | D131 P135 | D131-I133 PolarHBondContact O-N 3.1Å; I133-P135 WeakPolarHBondContact O-CD 3.45Å |
| 134 | I | 98.2 | Very high | 96.7 | Very high | 10 Ų | 10 | 68.5 Ų | 68.5 | 5% | 0.051 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -88 | 117.2 | 177.2 | -50.9 | -177.7 | 0 | 0 | 0 | 109 | F118 L121 Q122 F125 V136 L139 F150 | F118-I134 HydrophobicContact CD1-CG2 3.86Å; F118-I134 HydrophobicContact CE1-CG2 4.08Å; L121-I134 HydrophobicContact CB-CD1 4.33Å; L121-I134 HydrophobicContact CD2-CD1 3.7Å; L121-I134 HydrophobicContact CG-CD1 3.65Å; Q122-I134 HydrophobicContact CG-CB 4.47Å; Q122-I134 HydrophobicContact CG-CD1 3.89Å; Q122-I134 HydrophobicContact CG-CG1 4.46Å; F125-I134 HydrophobicContact CD2-CD1 3.7Å; F125-I134 HydrophobicContact CD2-CG1 3.86Å; F125-I134 HydrophobicContact CE2-CD1 3.67Å; F125-I134 HydrophobicContact CE2-CG1 3.72Å; F125-I134 HydrophobicContact CG-CD1 4.14Å; F125-I134 HydrophobicContact CZ-CD1 4.1Å; F125-I134 HydrophobicContact CZ-CG1 4.5Å; I134-V136 HydrophobicContact CB-CG2 4.26Å; I134-V136 HydrophobicContact CG2-CG2 3.92Å; I134-V136 PolarHBondContact O-N 3.03Å; I134-L139 HydrophobicContact CG2-CD1 3.75Å; I134-F150 HydrophobicContact CB-CE2 4.37Å; I134-F150 HydrophobicContact CB-CZ 4.45Å; I134-F150 HydrophobicContact CD1-CZ 4.38Å; I134-F150 HydrophobicContact CG1-CE2 4.15Å; I134-F150 HydrophobicContact CG1-CZ 4.06Å; I134-F150 HydrophobicContact CG2-CE1 4.5Å; I134-F150 HydrophobicContact CG2-CE2 4.08Å; I134-F150 HydrophobicContact CG2-CZ 3.9Å |
| 135 | P | 97.7 | Very high | 96.6 | Very high | 45 Ų | 45 | 74.4 Ų | 74.4 | 29% | 0.292 | 34% | 0.344 | S | S | . | . | trans | -78.3 | 63.8 | 180 | 32.4 | -34.7 | 0 | 0 | 0 | 111.7 | I133 E137 K138 L139 | I133-P135 WeakPolarHBondContact O-CD 3.45Å; P135-E137 VanDerWaalsContact C-N 3.32Å; P135-E137 PolarHBondContact O-N 2.84Å; P135-K138 HydrophobicContact CB-CB 4.44Å; P135-K138 HydrophobicContact CB-CD 4.39Å; P135-K138 HydrophobicContact CB-CG 4.5Å; P135-K138 PolarHBondContact O-N 3.48Å; P135-L139 HydrophobicContact CG-CD1 4.2Å; P135-L139 HydrophobicContact CG-CG 4.12Å; P135-L139 WeakPolarHBondContact O-CG 3.49Å; P135-L139 PolarHBondContact O-N 2.66Å; P135-L139 VanDerWaalsContact O-N 3.08Å | ||
| 136 | V | 98.1 | Very high | 96.6 | Very high | 22 Ų | 22 | 75.7 Ų | 75.7 | 13% | 0.133 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -50.5 | -48.1 | -170.3 | 179.9 | 0 | 0 | 0 | 0 | 112.5 | F118 I134 K138 L139 V140 | F118-V136 HydrophobicContact CB-CG1 3.82Å; F118-V136 HydrophobicContact CB-CG2 3.9Å; F118-V136 HydrophobicContact CD2-CG1 4.13Å; F118-V136 HydrophobicContact CG-CG1 4.12Å; F118-V136 HydrophobicContact CG-CG2 4.25Å; I134-V136 HydrophobicContact CB-CG2 4.26Å; I134-V136 HydrophobicContact CG2-CG2 3.92Å; I134-V136 PolarHBondContact O-N 3.03Å; V136-K138 PolarHBondContact O-N 2.63Å; V136-L139 PolarHBondContact O-N 3.32Å; V136-V140 HydrophobicContact CG1-CG1 3.89Å; V136-V140 WeakPolarHBondContact O-CG1 3.33Å; V136-V140 VanDerWaalsContact O-CG2 3.3Å; V136-V140 WeakPolarHBondContact O-CG2 3.45Å; V136-V140 PolarHBondContact O-N 2.73Å |
| 137 | E | 96.6 | Very high | 96.7 | Very high | 170 Ų | 170 | 67.3 Ų | 67.3 | 79% | 0.794 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.6 | -31.8 | -178.2 | -64.6 | -178.9 | -179.7 | 0 | 0 | 113.4 | P135 K141 | P135-E137 VanDerWaalsContact C-N 3.32Å; P135-E137 PolarHBondContact O-N 2.84Å; E137-K141 WeakPolarHBondContact O-CG 3.18Å |
| 138 | K | 97.4 | Very high | 96.7 | Very high | 107 Ų | 107 | 61 Ų | 61 | 47% | 0.465 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -82.8 | -41.4 | 178.5 | -57.7 | -171.6 | -176.4 | 179.3 | 0 | 111.3 | P135 V136 K141 D146 | P135-K138 HydrophobicContact CB-CB 4.44Å; P135-K138 HydrophobicContact CB-CD 4.39Å; P135-K138 HydrophobicContact CB-CG 4.5Å; P135-K138 PolarHBondContact O-N 3.48Å; V136-K138 PolarHBondContact O-N 2.63Å; K138-K141 PolarHBondContact O-N 3.16Å; K138-D146 HydrophobicContact CB-CB 3.96Å; K138-D146 VanDerWaalsContact CD-OD1 3.26Å; K138-D146 WeakPolarHBondContact CD-OD1 3.47Å |
| 139 | L | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65 | -47.3 | -178.1 | -65.1 | 176.8 | 0 | 0 | 0 | 112 | S82 F118 I134 P135 V136 K141 A142 D146 N147 F150 | S82-L139 WeakPolarHBondContact CB-O 3.22Å; F118-L139 HydrophobicContact CE1-CB 4.42Å; F118-L139 HydrophobicContact CE1-CD1 3.63Å; F118-L139 HydrophobicContact CE2-CB 3.92Å; F118-L139 HydrophobicContact CZ-CB 3.66Å; F118-L139 HydrophobicContact CZ-CD1 3.69Å; F118-L139 HydrophobicContact CZ-CG 4.31Å; I134-L139 HydrophobicContact CG2-CD1 3.75Å; P135-L139 HydrophobicContact CG-CD1 4.2Å; P135-L139 HydrophobicContact CG-CG 4.12Å; P135-L139 WeakPolarHBondContact O-CG 3.49Å; P135-L139 PolarHBondContact O-N 2.66Å; P135-L139 VanDerWaalsContact O-N 3.08Å; V136-L139 PolarHBondContact O-N 3.32Å; L139-K141 PolarHBondContact O-N 3.33Å; L139-K141 VanDerWaalsContact O-N 3.17Å; L139-A142 WeakPolarHBondContact O-CA 3.31Å; L139-A142 PolarHBondContact O-N 2.96Å; L139-D146 HydrophobicContact CD2-CB 4.4Å; L139-D146 VanDerWaalsContact CD2-O 3.3Å; L139-D146 WeakPolarHBondContact CD2-O 3.43Å; L139-N147 HydrophobicContact CD2-CB 4.43Å; L139-N147 PolarHBondContact O-ND2 3.35Å; L139-F150 HydrophobicContact CD1-CB 4.33Å; L139-F150 HydrophobicContact CD1-CD1 3.77Å; L139-F150 HydrophobicContact CD1-CD2 4.31Å; L139-F150 HydrophobicContact CD1-CE1 4.15Å; L139-F150 HydrophobicContact CD1-CG 3.87Å; L139-F150 HydrophobicContact CD2-CB 3.78Å; L139-F150 HydrophobicContact CD2-CD1 4.44Å; L139-F150 HydrophobicContact CD2-CG 4.23Å |
| 140 | V | 97.8 | Very high | 96.8 | Very high | 6 Ų | 6 | 60.3 Ų | 60.3 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18.2 | -176.8 | -59.8 | 0 | 0 | 0 | 0 | 113.4 | E111 I115 F118 V136 A142 | E111-V140 HydrophobicContact CG-CB 3.89Å; E111-V140 HydrophobicContact CG-CG2 3.73Å; I115-V140 HydrophobicContact CG1-CB 4.43Å; I115-V140 HydrophobicContact CG1-CG1 3.94Å; I115-V140 HydrophobicContact CG1-CG2 4.27Å; F118-V140 HydrophobicContact CD2-CG1 3.45Å; F118-V140 VanDerWaalsContact CD2-CG1 3.45Å; F118-V140 HydrophobicContact CE2-CG1 3.63Å; V136-V140 HydrophobicContact CG1-CG1 3.89Å; V136-V140 WeakPolarHBondContact O-CG1 3.33Å; V136-V140 VanDerWaalsContact O-CG2 3.3Å; V136-V140 WeakPolarHBondContact O-CG2 3.45Å; V136-V140 PolarHBondContact O-N 2.73Å; V140-A142 PolarHBondContact O-N 3.42Å |
| 141 | K | 96.1 | Very high | 96.8 | Very high | 112 Ų | 112 | 59.6 Ų | 59.6 | 49% | 0.487 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 2.4 | 171.2 | -62.8 | -64.8 | 179.9 | -165.3 | 0 | 113.1 | E111 E137 K138 L139 R143 | E111-K141 WeakPolarHBondContact OE1-CE 3.35Å; E111-K141 IonicContact OE1-NZ 3.7Å; E111-K141 PolarHBondContact OE1-NZ 3.34Å; E111-K141 IonicContact OE2-NZ 2.84Å; E111-K141 PolarHBondContact OE2-NZ 3.15Å; E137-K141 WeakPolarHBondContact O-CG 3.18Å; K138-K141 PolarHBondContact O-N 3.16Å; L139-K141 PolarHBondContact O-N 3.33Å; L139-K141 VanDerWaalsContact O-N 3.17Å; K141-R143 HydrophobicContact CB-CG 4.26Å; K141-R143 PolarHBondContact O-N 2.72Å; K141-R143 VanDerWaalsContact O-N 3.16Å |
| 142 | A | 95.8 | Very high | 96.9 | Very high | 14 Ų | 14 | 57.7 Ų | 57.7 | 12% | 0.116 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 36.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E79 L139 V140 F144 P184 | E79-A142 HydrophobicContact CB-CB 4.26Å; E79-A142 VanDerWaalsContact CG-O 3.24Å; E79-A142 WeakPolarHBondContact CG-O 3.37Å; L139-A142 WeakPolarHBondContact O-CA 3.31Å; L139-A142 PolarHBondContact O-N 2.96Å; V140-A142 PolarHBondContact O-N 3.42Å; A142-F144 PolarHBondContact O-N 3.04Å; A142-P184 HydrophobicContact CB-CB 4.21Å; A142-P184 HydrophobicContact CB-CG 3.3Å |
| 143 | R | 94.3 | Very high | 96.8 | Very high | 151 Ų | 151 | 55.4 Ų | 55.4 | 57% | 0.57 | 26% | 0.264 | S | S | * | . | trans | -73.1 | 126.1 | 173.5 | -70.3 | -176.4 | 175.9 | -175.6 | 0.8 | 109.5 | K141 Q145 D146 N147 | K141-R143 HydrophobicContact CB-CG 4.26Å; K141-R143 PolarHBondContact O-N 2.72Å; K141-R143 VanDerWaalsContact O-N 3.16Å; R143-Q145 PolarHBondContact O-N 3.44Å; R143-D146 HydrophobicContact CB-CB 4.21Å; R143-D146 VanDerWaalsContact CB-OD2 3.25Å; R143-D146 WeakPolarHBondContact CB-OD2 3.42Å; R143-D146 WeakPolarHBondContact CD-OD2 3.49Å; R143-D146 PolarHBondContact O-N 3.21Å; R143-N147 PolarHBondContact N-ND2 3.42Å; R143-N147 WeakPolarHBondContact O-CB 3.49Å; R143-N147 PolarHBondContact O-N 3.41Å; R143-N147 PolarHBondContact O-ND2 3.2Å | ||
| 144 | F | 96 | Very high | 96.9 | Very high | 71 Ų | 71 | 48.6 Ų | 48.6 | 31% | 0.311 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -53.1 | -55.5 | -177.4 | 175.5 | -104.2 | 0 | 0 | 0 | 112.6 | R60 V78 E79 A142 D146 N147 L148 | R60-F144 HydrophobicContact CB-CE2 4.46Å; R60-F144 HydrophobicContact CB-CZ 4.32Å; V78-F144 HydrophobicContact CB-CD2 4.31Å; V78-F144 HydrophobicContact CB-CE2 4.14Å; V78-F144 HydrophobicContact CG2-CE2 4.16Å; E79-F144 HydrophobicContact CG-CB 4.24Å; A142-F144 PolarHBondContact O-N 3.04Å; F144-D146 PolarHBondContact O-N 3.45Å; F144-N147 PolarHBondContact O-N 3.05Å; F144-L148 HydrophobicContact CE1-CD2 3.85Å; F144-L148 HydrophobicContact CZ-CD2 3.76Å; F144-L148 WeakPolarHBondContact O-CB 3.4Å; F144-L148 PolarHBondContact O-N 2.88Å |
| 145 | Q | 96.4 | Very high | 96.8 | Very high | 124 Ų | 124 | 49.8 Ų | 49.8 | 58% | 0.579 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -61.4 | -43.9 | -174.5 | -168.8 | 63.1 | 51.3 | 0 | 0 | 112.6 | R143 L148 D149 | R143-Q145 PolarHBondContact O-N 3.44Å; Q145-L148 PolarHBondContact O-N 3.49Å; Q145-D149 WeakPolarHBondContact O-CB 3.25Å; Q145-D149 PolarHBondContact O-N 2.9Å |
| 146 | D | 96.9 | Very high | 96.6 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66 | -39.7 | 179.6 | -63.9 | -63.6 | 0 | 0 | 0 | 111.4 | K138 L139 R143 F144 F150 | K138-D146 HydrophobicContact CB-CB 3.96Å; K138-D146 VanDerWaalsContact CD-OD1 3.26Å; K138-D146 WeakPolarHBondContact CD-OD1 3.47Å; L139-D146 HydrophobicContact CD2-CB 4.4Å; L139-D146 VanDerWaalsContact CD2-O 3.3Å; L139-D146 WeakPolarHBondContact CD2-O 3.43Å; R143-D146 HydrophobicContact CB-CB 4.21Å; R143-D146 VanDerWaalsContact CB-OD2 3.25Å; R143-D146 WeakPolarHBondContact CB-OD2 3.42Å; R143-D146 WeakPolarHBondContact CD-OD2 3.49Å; R143-D146 PolarHBondContact O-N 3.21Å; F144-D146 PolarHBondContact O-N 3.45Å; D146-F150 WeakPolarHBondContact O-CB 3.47Å; D146-F150 PolarHBondContact O-N 3.03Å |
| 147 | N | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71 | -38.8 | 177.2 | -79.2 | -86.9 | 0 | 0 | 0 | 111.9 | V78 S82 L139 R143 F144 F150 I151 | V78-N147 HydrophobicContact CG1-CB 4.1Å; S82-N147 WeakPolarHBondContact CA-OD1 3.39Å; S82-N147 PolarHBondContact N-OD1 3.09Å; L139-N147 HydrophobicContact CD2-CB 4.43Å; L139-N147 PolarHBondContact O-ND2 3.35Å; R143-N147 PolarHBondContact N-ND2 3.42Å; R143-N147 WeakPolarHBondContact O-CB 3.49Å; R143-N147 PolarHBondContact O-N 3.41Å; R143-N147 PolarHBondContact O-ND2 3.2Å; F144-N147 PolarHBondContact O-N 3.05Å; N147-F150 PolarHBondContact O-N 2.82Å; N147-I151 WeakPolarHBondContact O-CG2 3.47Å; N147-I151 PolarHBondContact O-N 3.4Å |
| 148 | L | 96.6 | Very high | 96.6 | Very high | 22 Ų | 22 | 41.2 Ų | 41.2 | 12% | 0.115 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64 | -48.1 | 177.5 | -177.4 | 64.4 | 0 | 0 | 0 | 111.6 | I63 V78 F144 Q145 F150 I151 Q152 | I63-L148 HydrophobicContact CG2-CD1 4.43Å; V78-L148 HydrophobicContact CG1-CB 4.2Å; V78-L148 HydrophobicContact CG1-CD1 4.35Å; V78-L148 HydrophobicContact CG2-CD1 4.37Å; F144-L148 HydrophobicContact CE1-CD2 3.85Å; F144-L148 HydrophobicContact CZ-CD2 3.76Å; F144-L148 WeakPolarHBondContact O-CB 3.4Å; F144-L148 PolarHBondContact O-N 2.88Å; Q145-L148 PolarHBondContact O-N 3.49Å; L148-F150 VanDerWaalsContact C-N 3.32Å; L148-F150 PolarHBondContact O-N 3.2Å; L148-I151 HydrophobicContact CD1-CG2 4.43Å; L148-I151 VanDerWaalsContact O-CG2 3.24Å; L148-I151 WeakPolarHBondContact O-CG2 3.32Å; L148-I151 PolarHBondContact O-N 3.22Å; L148-Q152 HydrophobicContact CD1-CG 4.35Å; L148-Q152 WeakPolarHBondContact O-CB 3.32Å; L148-Q152 VanDerWaalsContact O-CG 3.32Å; L148-Q152 WeakPolarHBondContact O-CG 3.5Å; L148-Q152 PolarHBondContact O-N 3.45Å |
| 149 | D | 95.6 | Very high | 96.5 | Very high | 85 Ų | 85 | 40.2 Ų | 40.2 | 46% | 0.455 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.4 | -44.6 | 177.5 | -179.8 | 59.2 | 0 | 0 | 0 | 111.3 | Q145 Q152 W153 | Q145-D149 WeakPolarHBondContact O-CB 3.25Å; Q145-D149 PolarHBondContact O-N 2.9Å; D149-Q152 PolarHBondContact O-N 2.89Å; D149-W153 PolarHBondContact O-N 3.43Å; D149-W153 VanDerWaalsContact O-N 3.13Å |
| 150 | F | 97.8 | Very high | 96.3 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 1% | 0.013 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.2 | -42.9 | -179.6 | -172 | -106.4 | 0 | 0 | 0 | 113 | Y87 L121 F125 I134 L139 D146 N147 L148 W153 F154 | Y87-F150 AromaticContact CD1-CE1 3.98Å; Y87-F150 HydrophobicContact CD1-CE1 3.98Å; Y87-F150 HydrophobicContact CD2-CE1 4.07Å; Y87-F150 AromaticContact CE1-CD1 3.81Å; Y87-F150 HydrophobicContact CE1-CD1 3.81Å; Y87-F150 AromaticContact CE1-CE1 3.71Å; Y87-F150 HydrophobicContact CE1-CE1 3.71Å; Y87-F150 AromaticContact CE2-CD1 3.84Å; Y87-F150 HydrophobicContact CE2-CD1 3.84Å; Y87-F150 AromaticContact CE2-CE1 3.85Å; Y87-F150 HydrophobicContact CE2-CE1 3.85Å; Y87-F150 HydrophobicContact CG-CE1 4.16Å; Y87-F150 AromaticContact CZ-CD1 3.45Å; Y87-F150 VanDerWaalsContact CZ-CD1 3.45Å; Y87-F150 AromaticContact CZ-CE1 3.68Å; Y87-F150 WeakPolarHBondContact OH-CD1 3.37Å; L121-F150 HydrophobicContact CD2-CE1 4.49Å; L121-F150 HydrophobicContact CD2-CZ 4.49Å; F125-F150 HydrophobicContact CZ-CZ 4.44Å; I134-F150 HydrophobicContact CB-CE2 4.37Å; I134-F150 HydrophobicContact CB-CZ 4.45Å; I134-F150 HydrophobicContact CD1-CZ 4.38Å; I134-F150 HydrophobicContact CG1-CE2 4.15Å; I134-F150 HydrophobicContact CG1-CZ 4.06Å; I134-F150 HydrophobicContact CG2-CE1 4.5Å; I134-F150 HydrophobicContact CG2-CE2 4.08Å; I134-F150 HydrophobicContact CG2-CZ 3.9Å; L139-F150 HydrophobicContact CD1-CB 4.33Å; L139-F150 HydrophobicContact CD1-CD1 3.77Å; L139-F150 HydrophobicContact CD1-CD2 4.31Å; L139-F150 HydrophobicContact CD1-CE1 4.15Å; L139-F150 HydrophobicContact CD1-CG 3.87Å; L139-F150 HydrophobicContact CD2-CB 3.78Å; L139-F150 HydrophobicContact CD2-CD1 4.44Å; L139-F150 HydrophobicContact CD2-CG 4.23Å; D146-F150 WeakPolarHBondContact O-CB 3.47Å; D146-F150 PolarHBondContact O-N 3.03Å; N147-F150 PolarHBondContact O-N 2.82Å; L148-F150 VanDerWaalsContact C-N 3.32Å; L148-F150 PolarHBondContact O-N 3.2Å; F150-W153 HydrophobicContact CD2-CE3 4.33Å; F150-W153 HydrophobicContact CE2-CE3 4.01Å; F150-W153 HydrophobicContact CE2-CZ3 4.05Å; F150-W153 HydrophobicContact CZ-CE3 4.49Å; F150-W153 HydrophobicContact CZ-CZ3 4.25Å; F150-W153 PolarHBondContact O-N 3.37Å; F150-F154 HydrophobicContact CE1-CD2 4.37Å; F150-F154 HydrophobicContact CZ-CD2 4.45Å; F150-F154 VanDerWaalsContact O-CB 3.31Å; F150-F154 WeakPolarHBondContact O-CB 3.47Å; F150-F154 PolarHBondContact O-N 3.27Å |
| 151 | I | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.5 | -34.7 | 178.4 | -169.8 | 64.1 | 0 | 0 | 0 | 112.1 | I63 W66 V67 V78 L81 Y87 N147 L148 F154 K155 | I63-I151 HydrophobicContact CD1-CG1 4.19Å; I63-I151 HydrophobicContact CG1-CB 4.41Å; I63-I151 HydrophobicContact CG1-CG1 3.62Å; I63-I151 HydrophobicContact CG1-CG2 3.92Å; I63-I151 HydrophobicContact CG2-CG2 4.43Å; W66-I151 HydrophobicContact CZ3-CD1 3.92Å; W66-I151 HydrophobicContact CZ3-CG1 4.34Å; V67-I151 HydrophobicContact CG2-CD1 4.1Å; V67-I151 HydrophobicContact CG2-CG1 4.46Å; V78-I151 HydrophobicContact CG1-CG2 4.14Å; L81-I151 HydrophobicContact CD1-CB 3.84Å; L81-I151 HydrophobicContact CD1-CD1 3.89Å; L81-I151 HydrophobicContact CD1-CG1 3.67Å; L81-I151 HydrophobicContact CD1-CG2 4.18Å; L81-I151 HydrophobicContact CD2-CD1 4.23Å; Y87-I151 HydrophobicContact CD1-CD1 4.48Å; Y87-I151 HydrophobicContact CE1-CD1 3.5Å; Y87-I151 WeakPolarHBondContact OH-CB 3.43Å; N147-I151 WeakPolarHBondContact O-CG2 3.47Å; N147-I151 PolarHBondContact O-N 3.4Å; L148-I151 HydrophobicContact CD1-CG2 4.43Å; L148-I151 VanDerWaalsContact O-CG2 3.24Å; L148-I151 WeakPolarHBondContact O-CG2 3.32Å; L148-I151 PolarHBondContact O-N 3.22Å; I151-F154 HydrophobicContact CD1-CB 4.42Å; I151-F154 PolarHBondContact O-N 3.39Å; I151-K155 WeakPolarHBondContact O-CB 3.19Å; I151-K155 PolarHBondContact O-N 2.81Å |
| 152 | Q | 95.3 | Very high | 96.3 | Very high | 39 Ų | 39 | 41.8 Ų | 41.8 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.1 | -45.5 | 176.1 | -77.6 | -179.8 | -20.1 | 0 | 0 | 111.2 | M58 L148 D149 F154 K155 R156 | M58-Q152 PolarHBondContact O-NE2 2.83Å; M58-Q152 VanDerWaalsContact O-NE2 3.16Å; L148-Q152 HydrophobicContact CD1-CG 4.35Å; L148-Q152 WeakPolarHBondContact O-CB 3.32Å; L148-Q152 VanDerWaalsContact O-CG 3.32Å; L148-Q152 WeakPolarHBondContact O-CG 3.5Å; L148-Q152 PolarHBondContact O-N 3.45Å; D149-Q152 PolarHBondContact O-N 2.89Å; Q152-F154 VanDerWaalsContact C-N 3.32Å; Q152-F154 PolarHBondContact O-N 3.22Å; Q152-K155 PolarHBondContact O-N 3.25Å; Q152-R156 PolarHBondContact O-N 2.96Å |
| 153 | W | 96.3 | Very high | 96.1 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.8 | -43.9 | 171 | 170.8 | 85 | 0 | 0 | 0 | 111.6 | V48 F125 V130 K132 D149 F150 K155 R156 F157 | V48-W153 HydrophobicContact CG2-CZ2 4.37Å; V48-W153 PolarHBondContact O-NE1 3.03Å; F125-W153 AromaticContact CE2-CH2 3.73Å; F125-W153 HydrophobicContact CE2-CH2 3.73Å; F125-W153 AromaticContact CE2-CZ3 3.91Å; F125-W153 HydrophobicContact CE2-CZ3 3.91Å; F125-W153 AromaticContact CZ-CH2 3.85Å; F125-W153 HydrophobicContact CZ-CH2 3.85Å; F125-W153 AromaticContact CZ-CZ3 3.82Å; F125-W153 HydrophobicContact CZ-CZ3 3.82Å; V130-W153 HydrophobicContact CG1-CH2 3.98Å; V130-W153 HydrophobicContact CG1-CZ2 4.3Å; K132-W153 HydrophobicContact CB-CD2 4.45Å; K132-W153 HydrophobicContact CB-CH2 3.4Å; K132-W153 HydrophobicContact CB-CZ2 3.16Å; K132-W153 HydrophobicContact CB-CZ3 4.12Å; K132-W153 HydrophobicContact CD-CD2 3.94Å; K132-W153 HydrophobicContact CD-CE3 4.46Å; K132-W153 HydrophobicContact CD-CG 4.32Å; K132-W153 HydrophobicContact CD-CZ2 4.1Å; K132-W153 HydrophobicContact CG-CD2 3.77Å; K132-W153 VanDerWaalsContact CG-CE2 3.49Å; K132-W153 HydrophobicContact CG-CE3 3.85Å; K132-W153 HydrophobicContact CG-CH2 3.56Å; K132-W153 HydrophobicContact CG-CZ2 3.43Å; K132-W153 VanDerWaalsContact CG-CZ2 3.43Å; K132-W153 HydrophobicContact CG-CZ3 3.75Å; D149-W153 PolarHBondContact O-N 3.43Å; D149-W153 VanDerWaalsContact O-N 3.13Å; F150-W153 HydrophobicContact CD2-CE3 4.33Å; F150-W153 HydrophobicContact CE2-CE3 4.01Å; F150-W153 HydrophobicContact CE2-CZ3 4.05Å; F150-W153 HydrophobicContact CZ-CE3 4.49Å; F150-W153 HydrophobicContact CZ-CZ3 4.25Å; F150-W153 PolarHBondContact O-N 3.37Å; W153-K155 VanDerWaalsContact C-N 3.28Å; W153-K155 PolarHBondContact O-N 3.26Å; W153-R156 WeakPolarHBondContact O-CB 3.48Å; W153-R156 PolarHBondContact O-N 2.85Å; W153-R156 VanDerWaalsContact O-N 3.16Å; W153-F157 HydrophobicContact CH2-CB 4.07Å; W153-F157 HydrophobicContact CH2-CD1 4.49Å; W153-F157 HydrophobicContact CH2-CD2 4.26Å; W153-F157 HydrophobicContact CH2-CG 4.01Å; W153-F157 HydrophobicContact CZ2-CB 4.04Å; W153-F157 HydrophobicContact CZ2-CD2 4.21Å; W153-F157 HydrophobicContact CZ2-CG 4.22Å; W153-F157 HydrophobicContact CZ3-CB 4.44Å; W153-F157 PolarHBondContact O-N 3.35Å |
| 154 | F | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.4 | -35 | -178 | -166.9 | -79.6 | 0 | 0 | 0 | 111.8 | Y87 F90 M91 F125 F150 I151 Q152 F157 F158 | Y87-F154 HydrophobicContact CD1-CB 4.43Å; Y87-F154 HydrophobicContact CD1-CD1 4.05Å; Y87-F154 AromaticContact CD1-CD2 3.59Å; Y87-F154 HydrophobicContact CD1-CD2 3.59Å; Y87-F154 HydrophobicContact CD1-CE1 4.24Å; Y87-F154 AromaticContact CD1-CE2 3.79Å; Y87-F154 HydrophobicContact CD1-CE2 3.79Å; Y87-F154 AromaticContact CD1-CG 3.75Å; Y87-F154 HydrophobicContact CD1-CG 3.75Å; Y87-F154 HydrophobicContact CD1-CZ 4.12Å; Y87-F154 HydrophobicContact CE1-CB 4.03Å; Y87-F154 HydrophobicContact CE1-CD1 4.28Å; Y87-F154 HydrophobicContact CE1-CD2 4.02Å; Y87-F154 AromaticContact CE1-CG 3.83Å; Y87-F154 HydrophobicContact CE1-CG 3.83Å; F90-F154 HydrophobicContact CB-CE1 3.42Å; F90-F154 VanDerWaalsContact CB-CE1 3.42Å; F90-F154 HydrophobicContact CB-CZ 3.57Å; F90-F154 HydrophobicContact CD1-CE1 4.42Å; F90-F154 HydrophobicContact CD2-CD1 4.36Å; F90-F154 AromaticContact CD2-CE1 3.76Å; F90-F154 HydrophobicContact CD2-CE1 3.76Å; F90-F154 HydrophobicContact CD2-CZ 4.41Å; F90-F154 AromaticContact CG-CE1 3.66Å; F90-F154 HydrophobicContact CG-CE1 3.66Å; F90-F154 HydrophobicContact CG-CZ 4.27Å; M91-F154 HydrophobicContact CG-CZ 4.43Å; M91-F154 HydrophobicContact SD-CE2 4.49Å; M91-F154 HydrophobicContact SD-CZ 4.39Å; F125-F154 HydrophobicContact CE1-CE2 4.14Å; F125-F154 HydrophobicContact CZ-CD2 4.29Å; F125-F154 HydrophobicContact CZ-CE2 4.06Å; F150-F154 HydrophobicContact CE1-CD2 4.37Å; F150-F154 HydrophobicContact CZ-CD2 4.45Å; F150-F154 VanDerWaalsContact O-CB 3.31Å; F150-F154 WeakPolarHBondContact O-CB 3.47Å; F150-F154 PolarHBondContact O-N 3.27Å; I151-F154 HydrophobicContact CD1-CB 4.42Å; I151-F154 PolarHBondContact O-N 3.39Å; Q152-F154 VanDerWaalsContact C-N 3.32Å; Q152-F154 PolarHBondContact O-N 3.22Å; F154-F157 HydrophobicContact CE2-CD1 4.44Å; F154-F157 WeakPolarHBondContact O-CB 3.5Å; F154-F157 PolarHBondContact O-N 3.5Å; F154-F158 WeakPolarHBondContact O-CB 3.25Å; F154-F158 PolarHBondContact O-N 3.32Å |
| 155 | K | 96.3 | Very high | 95.8 | Very high | 35 Ų | 35 | 39.4 Ų | 39.4 | 15% | 0.152 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.6 | -45.5 | 173.4 | 175.4 | 59.6 | 164.8 | 75.2 | 0 | 111.9 | M58 I63 W66 I151 Q152 W153 F157 F158 D159 | M58-K155 HydrophobicContact SD-CD 4.24Å; M58-K155 HydrophobicContact SD-CG 3.94Å; I63-K155 HydrophobicContact CD1-CB 3.74Å; I63-K155 HydrophobicContact CD1-CG 4.01Å; W66-K155 HydrophobicContact CD2-CD 3.63Å; W66-K155 VanDerWaalsContact CE2-CD 3.43Å; W66-K155 HydrophobicContact CE3-CB 4.48Å; W66-K155 HydrophobicContact CE3-CD 3.75Å; W66-K155 HydrophobicContact CE3-CG 4.49Å; W66-K155 HydrophobicContact CG-CD 4.4Å; W66-K155 HydrophobicContact CH2-CB 4.09Å; W66-K155 HydrophobicContact CH2-CD 3.54Å; W66-K155 HydrophobicContact CH2-CG 4.43Å; W66-K155 HydrophobicContact CZ2-CD 3.41Å; W66-K155 VanDerWaalsContact CZ2-CD 3.41Å; W66-K155 HydrophobicContact CZ3-CB 3.92Å; W66-K155 HydrophobicContact CZ3-CD 3.7Å; W66-K155 HydrophobicContact CZ3-CG 4.33Å; I151-K155 WeakPolarHBondContact O-CB 3.19Å; I151-K155 PolarHBondContact O-N 2.81Å; Q152-K155 PolarHBondContact O-N 3.25Å; W153-K155 VanDerWaalsContact C-N 3.28Å; W153-K155 PolarHBondContact O-N 3.26Å; K155-F157 VanDerWaalsContact C-N 3.28Å; K155-F157 PolarHBondContact O-N 3.27Å; K155-F158 WeakPolarHBondContact O-CB 3.24Å; K155-F158 PolarHBondContact O-N 3Å; K155-F158 VanDerWaalsContact O-N 3.15Å; K155-D159 IonicContact NZ-OD1 3.95Å; K155-D159 PolarHBondContact NZ-OD1 3.05Å; K155-D159 IonicContact NZ-OD2 3.97Å; K155-D159 PolarHBondContact NZ-OD2 3.33Å; K155-D159 VanDerWaalsContact O-CG 3.23Å; K155-D159 PolarHBondContact O-N 2.82Å |
| 156 | R | 94.4 | Very high | 95.7 | Very high | 53 Ų | 53 | 41.4 Ų | 41.4 | 20% | 0.2 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -41.5 | 175.3 | -61.5 | 177 | -168.1 | -68.7 | -3.6 | 111.2 | V48 Q55 E56 Q152 W153 F158 D159 A160 | V48-R156 HydrophobicContact CG2-CB 4.11Å; Q55-R156 VanDerWaalsContact CD-NH1 3.33Å; Q55-R156 VanDerWaalsContact CG-NH1 3.3Å; Q55-R156 VanDerWaalsContact OE1-CD 3.24Å; Q55-R156 VanDerWaalsContact OE1-NH1 3.16Å; E56-R156 PolarHBondContact O-NH2 2.87Å; E56-R156 VanDerWaalsContact O-NH2 3.16Å; Q152-R156 PolarHBondContact O-N 2.96Å; W153-R156 WeakPolarHBondContact O-CB 3.48Å; W153-R156 PolarHBondContact O-N 2.85Å; W153-R156 VanDerWaalsContact O-N 3.16Å; R156-F158 VanDerWaalsContact C-N 3.31Å; R156-F158 PolarHBondContact O-N 2.89Å; R156-D159 PolarHBondContact O-N 3.41Å; R156-A160 WeakPolarHBondContact O-CB 3.47Å; R156-A160 PolarHBondContact O-N 3.08Å; R156-A160 VanDerWaalsContact O-N 3.08Å |
| 157 | F | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62 | -42.6 | 175.4 | 172.8 | -101.3 | 0 | 0 | 0 | 111 | A45 V46 V48 M91 L94 F95 V130 W153 F154 K155 A160 N161 | A45-F157 HydrophobicContact CB-CE2 3.96Å; A45-F157 HydrophobicContact CB-CZ 3.95Å; V46-F157 WeakPolarHBondContact O-CD2 3.2Å; V46-F157 WeakPolarHBondContact O-CE2 3.37Å; V48-F157 HydrophobicContact CG2-CB 3.77Å; M91-F157 HydrophobicContact SD-CE1 3.88Å; M91-F157 HydrophobicContact SD-CZ 4.48Å; L94-F157 HydrophobicContact CD1-CD1 4.14Å; L94-F157 HydrophobicContact CD1-CE1 3.75Å; F95-F157 HydrophobicContact CE2-CE1 4.32Å; F95-F157 AromaticContact CE2-CZ 3.96Å; F95-F157 HydrophobicContact CE2-CZ 3.96Å; F95-F157 HydrophobicContact CZ-CZ 4.46Å; V130-F157 HydrophobicContact CG1-CE2 4.14Å; V130-F157 HydrophobicContact CG1-CZ 4.47Å; V130-F157 HydrophobicContact CG2-CE2 3.7Å; V130-F157 HydrophobicContact CG2-CZ 3.58Å; W153-F157 HydrophobicContact CH2-CB 4.07Å; W153-F157 HydrophobicContact CH2-CD1 4.49Å; W153-F157 HydrophobicContact CH2-CD2 4.26Å; W153-F157 HydrophobicContact CH2-CG 4.01Å; W153-F157 HydrophobicContact CZ2-CB 4.04Å; W153-F157 HydrophobicContact CZ2-CD2 4.21Å; W153-F157 HydrophobicContact CZ2-CG 4.22Å; W153-F157 HydrophobicContact CZ3-CB 4.44Å; W153-F157 PolarHBondContact O-N 3.35Å; F154-F157 HydrophobicContact CE2-CD1 4.44Å; F154-F157 WeakPolarHBondContact O-CB 3.5Å; F154-F157 PolarHBondContact O-N 3.5Å; K155-F157 VanDerWaalsContact C-N 3.28Å; K155-F157 PolarHBondContact O-N 3.27Å; F157-A160 PolarHBondContact O-N 3.03Å; F157-N161 WeakPolarHBondContact CD2-ND2 3.34Å; F157-N161 WeakPolarHBondContact CE2-ND2 3.45Å; F157-N161 PolarHBondContact O-N 3.34Å; F157-N161 PolarHBondContact O-ND2 2.87Å |
| 158 | F | 97.2 | Very high | 95.5 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -51.1 | 176.1 | -178.1 | -82.8 | 0 | 0 | 0 | 111.1 | W66 L70 F90 L93 L94 F154 K155 R156 A160 N161 Y162 | W66-F158 HydrophobicContact CH2-CB 4.23Å; W66-F158 HydrophobicContact CH2-CG 4.29Å; W66-F158 HydrophobicContact CZ2-CB 4.11Å; W66-F158 AromaticContact CZ2-CD1 3.81Å; W66-F158 HydrophobicContact CZ2-CD1 3.81Å; W66-F158 HydrophobicContact CZ2-CD2 4.17Å; W66-F158 HydrophobicContact CZ2-CE1 4.32Å; W66-F158 AromaticContact CZ2-CG 3.75Å; W66-F158 HydrophobicContact CZ2-CG 3.75Å; L70-F158 HydrophobicContact CD2-CE1 4.15Å; L70-F158 HydrophobicContact CD2-CE2 3.7Å; L70-F158 HydrophobicContact CD2-CZ 3.41Å; L70-F158 VanDerWaalsContact CD2-CZ 3.41Å; F90-F158 AromaticContact CD1-CD2 3.81Å; F90-F158 HydrophobicContact CD1-CD2 3.81Å; F90-F158 AromaticContact CD1-CE2 3.8Å; F90-F158 HydrophobicContact CD1-CE2 3.8Å; F90-F158 HydrophobicContact CE1-CD2 4.37Å; F90-F158 HydrophobicContact CE1-CE2 4.34Å; L93-F158 HydrophobicContact CD1-CE2 4.31Å; L93-F158 HydrophobicContact CD2-CE2 3.71Å; L93-F158 HydrophobicContact CD2-CZ 3.87Å; L94-F158 HydrophobicContact CD1-CD2 3.88Å; L94-F158 HydrophobicContact CD2-CD2 3.63Å; L94-F158 HydrophobicContact CD2-CE2 3.7Å; L94-F158 HydrophobicContact CD2-CG 4.17Å; L94-F158 HydrophobicContact CD2-CZ 4.29Å; L94-F158 HydrophobicContact CG-CD2 3.78Å; L94-F158 HydrophobicContact CG-CE2 3.96Å; F154-F158 WeakPolarHBondContact O-CB 3.25Å; F154-F158 PolarHBondContact O-N 3.32Å; K155-F158 WeakPolarHBondContact O-CB 3.24Å; K155-F158 PolarHBondContact O-N 3Å; K155-F158 VanDerWaalsContact O-N 3.15Å; R156-F158 VanDerWaalsContact C-N 3.31Å; R156-F158 PolarHBondContact O-N 2.89Å; F158-A160 VanDerWaalsContact C-N 3.27Å; F158-A160 PolarHBondContact O-N 3.47Å; F158-N161 PolarHBondContact O-N 3.4Å; F158-Y162 HydrophobicContact CD1-CG 4.46Å; F158-Y162 AromaticContact CE1-CD1 3.82Å; F158-Y162 HydrophobicContact CE1-CD1 3.82Å; F158-Y162 HydrophobicContact CE1-CD2 4.06Å; F158-Y162 HydrophobicContact CE1-CE1 4.46Å; F158-Y162 AromaticContact CE1-CG 3.56Å; F158-Y162 HydrophobicContact CE1-CG 3.56Å; F158-Y162 HydrophobicContact CE2-CD2 4.34Å; F158-Y162 HydrophobicContact CZ-CD1 4.12Å; F158-Y162 AromaticContact CZ-CD2 3.58Å; F158-Y162 HydrophobicContact CZ-CD2 3.58Å; F158-Y162 HydrophobicContact CZ-CE2 4.06Å; F158-Y162 AromaticContact CZ-CG 3.61Å; F158-Y162 HydrophobicContact CZ-CG 3.61Å; F158-Y162 VanDerWaalsContact O-CB 3.29Å; F158-Y162 WeakPolarHBondContact O-CB 3.31Å; F158-Y162 PolarHBondContact O-N 2.89Å |
| 159 | D | 95.6 | Very high | 95.3 | Very high | 86 Ų | 86 | 45.3 Ų | 45.3 | 46% | 0.46 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.5 | -36.8 | -178.3 | -64.5 | -23.5 | 0 | 0 | 0 | 112.6 | K155 R156 N161 | K155-D159 IonicContact NZ-OD1 3.95Å; K155-D159 PolarHBondContact NZ-OD1 3.05Å; K155-D159 IonicContact NZ-OD2 3.97Å; K155-D159 PolarHBondContact NZ-OD2 3.33Å; K155-D159 VanDerWaalsContact O-CG 3.23Å; K155-D159 PolarHBondContact O-N 2.82Å; R156-D159 PolarHBondContact O-N 3.41Å; D159-N161 VanDerWaalsContact C-N 3.27Å; D159-N161 PolarHBondContact O-N 3.33Å |
| 160 | A | 94.9 | Very high | 95.1 | Very high | 46 Ų | 46 | 46 Ų | 46 | 38% | 0.38 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -71.9 | -17.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | V46 V48 R156 F157 F158 | V46-A160 HydrophobicContact CG1-CB 4.33Å; V48-A160 HydrophobicContact CG1-CB 3.61Å; R156-A160 WeakPolarHBondContact O-CB 3.47Å; R156-A160 PolarHBondContact O-N 3.08Å; R156-A160 VanDerWaalsContact O-N 3.08Å; F157-A160 PolarHBondContact O-N 3.03Å; F158-A160 VanDerWaalsContact C-N 3.27Å; F158-A160 PolarHBondContact O-N 3.47Å |
| 161 | N | 96.1 | Very high | 94.9 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 13% | 0.128 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -119.4 | -13.5 | -172.9 | -73 | -84.4 | 0 | 0 | 0 | 114.1 | V46 L94 F95 F157 F158 D159 | V46-N161 PolarHBondContact N-OD1 3.36Å; V46-N161 PolarHBondContact O-ND2 3.16Å; L94-N161 HydrophobicContact CD2-CB 4.12Å; F95-N161 HydrophobicContact CE1-CB 4.45Å; F95-N161 HydrophobicContact CZ-CB 3.77Å; F95-N161 WeakPolarHBondContact CZ-OD1 2.9Å; F157-N161 WeakPolarHBondContact CD2-ND2 3.34Å; F157-N161 WeakPolarHBondContact CE2-ND2 3.45Å; F157-N161 PolarHBondContact O-N 3.34Å; F157-N161 PolarHBondContact O-ND2 2.87Å; F158-N161 PolarHBondContact O-N 3.4Å; D159-N161 VanDerWaalsContact C-N 3.27Å; D159-N161 PolarHBondContact O-N 3.33Å |
| 162 | Y | 96.1 | Very high | 94.7 | Very high | 81 Ų | 81 | 54.1 Ų | 54.1 | 32% | 0.318 | 29% | 0.288 | S | S | . | . | trans | -76.4 | 126.5 | -178.7 | -174.6 | -123.5 | 0 | 0 | 0 | 110.7 | L93 L94 F158 K165 | L93-Y162 HydrophobicContact CD2-CD2 3.6Å; L93-Y162 HydrophobicContact CD2-CE2 3.42Å; L93-Y162 VanDerWaalsContact CD2-CE2 3.42Å; L94-Y162 HydrophobicContact CD2-CD2 4.26Å; F158-Y162 HydrophobicContact CD1-CG 4.46Å; F158-Y162 AromaticContact CE1-CD1 3.82Å; F158-Y162 HydrophobicContact CE1-CD1 3.82Å; F158-Y162 HydrophobicContact CE1-CD2 4.06Å; F158-Y162 HydrophobicContact CE1-CE1 4.46Å; F158-Y162 AromaticContact CE1-CG 3.56Å; F158-Y162 HydrophobicContact CE1-CG 3.56Å; F158-Y162 HydrophobicContact CE2-CD2 4.34Å; F158-Y162 HydrophobicContact CZ-CD1 4.12Å; F158-Y162 AromaticContact CZ-CD2 3.58Å; F158-Y162 HydrophobicContact CZ-CD2 3.58Å; F158-Y162 HydrophobicContact CZ-CE2 4.06Å; F158-Y162 AromaticContact CZ-CG 3.61Å; F158-Y162 HydrophobicContact CZ-CG 3.61Å; F158-Y162 VanDerWaalsContact O-CB 3.29Å; F158-Y162 WeakPolarHBondContact O-CB 3.31Å; F158-Y162 PolarHBondContact O-N 2.89Å; Y162-K165 HydrophobicContact CE2-CG 4.35Å; Y162-K165 PolarHBondContact OH-O 2.95Å | ||
| 163 | D | 92.8 | Very high | 94.5 | Very high | 91 Ų | 91 | 52.6 Ų | 52.6 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | trans | -99 | 7.2 | -177 | 61.1 | 7.6 | 0 | 0 | 0 | 113 | K165 | D163-K165 WeakPolarHBondContact OD1-CB 3.45Å; D163-K165 WeakPolarHBondContact OD1-CE 3.31Å; D163-K165 PolarHBondContact OD1-N 3.4Å; D163-K165 VanDerWaalsContact OD1-N 3.08Å; D163-K165 IonicContact OD1-NZ 3.61Å; D163-K165 WeakPolarHBondContact OD2-CE 3.47Å; D163-K165 IonicContact OD2-NZ 2.96Å; D163-K165 PolarHBondContact OD2-NZ 3.16Å | ||
| 164 | G | 92.9 | Very high | 94.1 | Very high | 49 Ų | 49 | 59 Ų | 59 | 51% | 0.505 | 31% | 0.311 | S | S | . | . | trans | 82.8 | 9.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 165 | K | 91.6 | Very high | 93 | Very high | 46 Ų | 46 | 62 Ų | 62 | 20% | 0.2 | 34% | 0.342 | C | S | . | . | trans | -64.2 | 141.1 | -179.2 | 78 | -168.2 | 73.1 | 172.1 | 0 | 113.1 | L93 L94 Y162 D163 | L93-K165 WeakPolarHBondContact O-CD 3.43Å; L94-K165 PolarHBondContact O-NZ 3.48Å; Y162-K165 HydrophobicContact CE2-CG 4.35Å; Y162-K165 PolarHBondContact OH-O 2.95Å; D163-K165 WeakPolarHBondContact OD1-CB 3.45Å; D163-K165 WeakPolarHBondContact OD1-CE 3.31Å; D163-K165 PolarHBondContact OD1-N 3.4Å; D163-K165 VanDerWaalsContact OD1-N 3.08Å; D163-K165 IonicContact OD1-NZ 3.61Å; D163-K165 WeakPolarHBondContact OD2-CE 3.47Å; D163-K165 IonicContact OD2-NZ 2.96Å; D163-K165 PolarHBondContact OD2-NZ 3.16Å | ||
| 166 | D | 93.9 | Very high | 92.1 | Very high | 166 Ų | 166 | 65 Ų | 65 | 89% | 0.888 | 36% | 0.356 | S | S | * | . | trans | -63.6 | 139.7 | 169.6 | -64.5 | -46.6 | 0 | 0 | 0 | 111 | ||||
| 167 | Y | 95.3 | Very high | 91.2 | Very high | 51 Ų | 51 | 67.9 Ų | 67.9 | 20% | 0.2 | 38% | 0.376 | C | S | . | . | trans | -138.2 | 125.3 | 178.4 | -174.2 | -103.3 | 0 | 0 | 0 | 110.3 | L71 Q89 D92 L93 P169 A172 | L71-Y167 HydrophobicContact CD2-CE1 4.32Å; Q89-Y167 HydrophobicContact CG-CE1 4.09Å; Q89-Y167 VanDerWaalsContact CG-OH 3.32Å; Q89-Y167 WeakPolarHBondContact CG-OH 3.25Å; D92-Y167 WeakPolarHBondContact OD2-CE2 3.44Å; D92-Y167 PolarHBondContact OD2-OH 3.36Å; L93-Y167 HydrophobicContact CB-CD1 4.15Å; L93-Y167 HydrophobicContact CB-CD2 3.9Å; L93-Y167 HydrophobicContact CB-CE1 4.15Å; L93-Y167 HydrophobicContact CB-CE2 3.92Å; L93-Y167 HydrophobicContact CB-CG 4.01Å; L93-Y167 HydrophobicContact CD1-CD1 3.59Å; L93-Y167 HydrophobicContact CD1-CD2 4.48Å; L93-Y167 HydrophobicContact CD1-CE1 4.17Å; L93-Y167 HydrophobicContact CD1-CG 3.75Å; L93-Y167 HydrophobicContact CG-CD1 3.9Å; L93-Y167 HydrophobicContact CG-CD2 3.86Å; L93-Y167 HydrophobicContact CG-CE1 4.4Å; L93-Y167 HydrophobicContact CG-CE2 4.39Å; L93-Y167 HydrophobicContact CG-CG 3.58Å; Y167-P169 HydrophobicContact CD1-CB 4.04Å; Y167-P169 HydrophobicContact CE1-CB 3.78Å; Y167-P169 WeakPolarHBondContact O-CD 3.39Å; Y167-A172 HydrophobicContact CE1-CB 4.24Å; Y167-A172 HydrophobicContact CE2-CB 4.09Å; Y167-A172 WeakPolarHBondContact OH-CB 3.32Å | ||
| 168 | D | 94.3 | Very high | 90.2 | Very high | 69 Ų | 69 | 68.4 Ų | 68.4 | 37% | 0.369 | 38% | 0.38 | S | S | . | . | trans | -96.7 | 100.7 | 170.7 | -176.6 | -21.8 | 0 | 0 | 0 | 109.3 | L170 Q171 A172 | D168-L170 VanDerWaalsContact C-N 3.28Å; D168-L170 PolarHBondContact O-N 2.84Å; D168-L170 PolarHBondContact OD1-N 2.97Å; D168-Q171 HydrophobicContact CB-CB 4.05Å; D168-Q171 HydrophobicContact CB-CG 4.37Å; D168-Q171 PolarHBondContact O-N 3.22Å; D168-Q171 PolarHBondContact OD1-N 3.23Å; D168-Q171 WeakPolarHBondContact OD2-CG 3.45Å; D168-Q171 PolarHBondContact OD2-NE2 3.41Å; D168-A172 WeakPolarHBondContact O-CB 3.41Å; D168-A172 PolarHBondContact O-N 2.66Å | ||
| 169 | P | 93.5 | Very high | 89.2 | Confident | 18 Ų | 18 | 72.5 Ų | 72.5 | 12% | 0.117 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -69.6 | -25.4 | -176.2 | 29.1 | -36.2 | 0 | 0 | 0 | 113.2 | L71 Q89 Y167 R173 | L71-P169 VanDerWaalsContact O-CB 3.28Å; L71-P169 WeakPolarHBondContact O-CB 3.45Å; Q89-P169 VanDerWaalsContact NE2-CA 3.35Å; Q89-P169 VanDerWaalsContact NE2-CB 3.32Å; Q89-P169 PolarHBondContact NE2-O 3Å; Y167-P169 HydrophobicContact CD1-CB 4.04Å; Y167-P169 HydrophobicContact CE1-CB 3.78Å; Y167-P169 WeakPolarHBondContact O-CD 3.39Å; P169-R173 WeakPolarHBondContact O-CG 3.24Å; P169-R173 PolarHBondContact O-N 2.94Å |
| 170 | L | 91.5 | Very high | 88.3 | Confident | 99 Ų | 99 | 69.6 Ų | 69.6 | 52% | 0.518 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -76 | -42.8 | -179.9 | -66.2 | 171.2 | 0 | 0 | 0 | 110.7 | D168 R173 Q174 G175 | D168-L170 VanDerWaalsContact C-N 3.28Å; D168-L170 PolarHBondContact O-N 2.84Å; D168-L170 PolarHBondContact OD1-N 2.97Å; L170-R173 PolarHBondContact O-N 3.37Å; L170-Q174 PolarHBondContact O-N 3.5Å; L170-G175 PolarHBondContact O-N 3.13Å; L170-G175 VanDerWaalsContact O-N 3.14Å |
| 171 | Q | 92.5 | Very high | 87.5 | Confident | 149 Ų | 149 | 67.8 Ų | 67.8 | 70% | 0.696 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64 | -40.5 | 172.4 | -79.2 | -176 | 41.9 | 0 | 0 | 112 | D168 R173 Q174 | D168-Q171 HydrophobicContact CB-CB 4.05Å; D168-Q171 HydrophobicContact CB-CG 4.37Å; D168-Q171 PolarHBondContact O-N 3.22Å; D168-Q171 PolarHBondContact OD1-N 3.23Å; D168-Q171 WeakPolarHBondContact OD2-CG 3.45Å; D168-Q171 PolarHBondContact OD2-NE2 3.41Å; Q171-R173 VanDerWaalsContact C-N 3.27Å; Q171-R173 PolarHBondContact O-N 2.87Å; Q171-Q174 WeakPolarHBondContact O-CA 3.43Å; Q171-Q174 PolarHBondContact O-N 3.45Å |
| 172 | A | 92.9 | Very high | 86.5 | Confident | 26 Ų | 26 | 68.8 Ų | 68.8 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62 | -35.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | L101 Y167 D168 Q174 | L101-A172 HydrophobicContact CD1-CB 3.98Å; Y167-A172 HydrophobicContact CE1-CB 4.24Å; Y167-A172 HydrophobicContact CE2-CB 4.09Å; Y167-A172 WeakPolarHBondContact OH-CB 3.32Å; D168-A172 WeakPolarHBondContact O-CB 3.41Å; D168-A172 PolarHBondContact O-N 2.66Å; A172-Q174 PolarHBondContact O-N 3Å |
| 173 | R | 93.1 | Very high | 85.4 | Confident | 7 Ų | 7 | 67 Ų | 67 | 3% | 0.026 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -3.5 | 171.4 | -70.7 | -167.8 | -67.4 | -97.9 | 5.1 | 114 | L71 G72 Q89 F106 P169 L170 Q171 G175 Q176 | L71-R173 PolarHBondContact O-NH1 3.47Å; L71-R173 PolarHBondContact O-NH2 3.42Å; G72-R173 PolarHBondContact O-NH2 2.85Å; G72-R173 VanDerWaalsContact O-NH2 3.09Å; Q89-R173 VanDerWaalsContact CD-NH1 3.32Å; Q89-R173 VanDerWaalsContact NE2-NH1 3.16Å; F106-R173 HydrophobicContact CD1-CG 4.04Å; F106-R173 HydrophobicContact CD2-CG 4.29Å; F106-R173 HydrophobicContact CE1-CG 3.7Å; F106-R173 HydrophobicContact CE2-CG 3.97Å; F106-R173 HydrophobicContact CG-CG 4.32Å; F106-R173 HydrophobicContact CZ-CG 3.66Å; P169-R173 WeakPolarHBondContact O-CG 3.24Å; P169-R173 PolarHBondContact O-N 2.94Å; L170-R173 PolarHBondContact O-N 3.37Å; Q171-R173 VanDerWaalsContact C-N 3.27Å; Q171-R173 PolarHBondContact O-N 2.87Å; R173-G175 PolarHBondContact O-N 3.13Å; R173-Q176 HydrophobicContact CB-CB 4.41Å; R173-Q176 WeakPolarHBondContact O-CB 3.3Å; R173-Q176 WeakPolarHBondContact O-CG 3.32Å; R173-Q176 PolarHBondContact O-N 3.02Å |
| 174 | Q | 87.2 | Confident | 83.9 | Confident | 138 Ų | 138 | 65 Ų | 65 | 65% | 0.645 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 36.6 | -176.2 | -51.7 | -170.8 | -16.7 | 0 | 0 | 112.6 | L170 Q171 A172 Q176 | L170-Q174 PolarHBondContact O-N 3.5Å; Q171-Q174 WeakPolarHBondContact O-CA 3.43Å; Q171-Q174 PolarHBondContact O-N 3.45Å; A172-Q174 PolarHBondContact O-N 3Å; Q174-Q176 PolarHBondContact O-N 3.45Å |
| 175 | G | 73.6 | Confident | 82.2 | Confident | 64 Ų | 64 | 65 Ų | 65 | 66% | 0.66 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 8.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L170 R173 D177 | L170-G175 PolarHBondContact O-N 3.13Å; L170-G175 VanDerWaalsContact O-N 3.14Å; R173-G175 PolarHBondContact O-N 3.13Å; G175-D177 PolarHBondContact O-N 2.94Å |
| 176 | Q | 78 | Confident | 80.5 | Confident | 97 Ų | 97 | 69.4 Ų | 69.4 | 45% | 0.453 | 39% | 0.388 | S | S | . | . | trans | -67.1 | 124.1 | 165.1 | -66.1 | -172.8 | 6.8 | 0 | 0 | 108.9 | R173 Q174 | R173-Q176 HydrophobicContact CB-CB 4.41Å; R173-Q176 WeakPolarHBondContact O-CB 3.3Å; R173-Q176 WeakPolarHBondContact O-CG 3.32Å; R173-Q176 PolarHBondContact O-N 3.02Å; Q174-Q176 PolarHBondContact O-N 3.45Å | ||
| 177 | D | 74.7 | Confident | 78.5 | Confident | 115 Ų | 115 | 65.9 Ų | 65.9 | 62% | 0.615 | 37% | 0.366 | S | S | * | . | trans | -56.5 | 145.4 | 165.4 | -68.1 | -42.3 | 0 | 0 | 0 | 108.5 | Q107 G175 I179 | Q107-D177 PolarHBondContact NE2-O 3.36Å; G175-D177 PolarHBondContact O-N 2.94Å; D177-I179 HydrophobicContact CB-CG1 4.18Å | ||
| 178 | A | 77 | Confident | 76.4 | Confident | 10 Ų | 10 | 70 Ų | 70 | 8% | 0.083 | 39% | 0.391 | C | S | . | . | trans | -109.9 | 83.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | L73 F106 | L73-A178 HydrophobicContact CD2-CB 3.27Å; F106-A178 HydrophobicContact CB-CB 4.41Å; F106-A178 HydrophobicContact CD1-CB 4.3Å | ||
| 179 | I | 75.8 | Confident | 74.2 | Confident | 91 Ų | 91 | 75.5 Ų | 75.5 | 47% | 0.467 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -73 | 134.3 | 179.2 | -65.9 | 165.8 | 0 | 0 | 0 | 106.9 | Q107 D177 | Q107-I179 VanDerWaalsContact OE1-CB 3.29Å; D177-I179 HydrophobicContact CB-CG1 4.18Å |
| 180 | P | 76.8 | Confident | 71.7 | Confident | 25 Ų | 25 | 81.5 Ų | 81.5 | 16% | 0.162 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 133.3 | 176.4 | -23.1 | 32.3 | 0 | 0 | 0 | 110.5 | N74 Y75 | N74-P180 VanDerWaalsContact O-CG 3.3Å; N74-P180 WeakPolarHBondContact O-CG 3.4Å; N74-P180 VanDerWaalsContact OD1-CD 3.28Å; N74-P180 WeakPolarHBondContact OD1-CD 3.41Å; N74-P180 VanDerWaalsContact OD1-CG 3.27Å; N74-P180 WeakPolarHBondContact OD1-CG 3.41Å; Y75-P180 HydrophobicContact CD1-CB 3.83Å; Y75-P180 HydrophobicContact CD1-CG 4.03Å; Y75-P180 HydrophobicContact CE1-CB 4.14Å; Y75-P180 HydrophobicContact CE1-CG 4.46Å |
| 181 | P | 77.8 | Confident | 69.4 | Low | 7 Ų | 7 | 84.1 Ų | 84.1 | 5% | 0.045 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 145.2 | 177.3 | -20.6 | 29.9 | 0 | 0 | 0 | 110.7 | Q80 S83 Y114 D183 | Q80-P181 WeakPolarHBondContact O-CG 3.27Å; S83-P181 VanDerWaalsContact CB-CG 3.46Å; Y114-P181 HydrophobicContact CE1-CB 4.37Å; Y114-P181 WeakPolarHBondContact OH-CB 3.28Å; P181-D183 PolarHBondContact O-N 2.95Å |
| 182 | P | 76.3 | Confident | 67.2 | Low | 45 Ų | 45 | 82.4 Ų | 82.4 | 29% | 0.292 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 136.1 | -178.6 | 19 | -27.6 | 0 | 0 | 0 | 110.8 | K109 Q187 | K109-P182 HydrophobicContact CB-CG 4.14Å; K109-P182 HydrophobicContact CG-CG 4.2Å; P182-Q187 PolarHBondContact O-NE2 2.96Å |
| 183 | D | 72.4 | Confident | 64.9 | Low | 44 Ų | 44 | 90.8 Ų | 90.8 | 24% | 0.235 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 127.3 | -177.3 | -169 | -6.9 | 0 | 0 | 0 | 110.6 | K77 P181 G185 E186 | K77-D183 WeakPolarHBondContact CE-OD2 3.37Å; K77-D183 IonicContact NZ-OD1 2.77Å; K77-D183 PolarHBondContact NZ-OD1 3.34Å; K77-D183 IonicContact NZ-OD2 2.63Å; K77-D183 PolarHBondContact NZ-OD2 3.02Å; P181-D183 PolarHBondContact O-N 2.95Å; D183-G185 PolarHBondContact O-N 3.42Å; D183-G185 PolarHBondContact OD1-N 3.09Å; D183-E186 HydrophobicContact CB-CG 4.25Å; D183-E186 PolarHBondContact O-N 3.42Å |
| 184 | P | 59.9 | Low | 62.3 | Low | 49 Ų | 49 | 100.4 Ų | 100.4 | 32% | 0.318 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -29.8 | 176.1 | -26.8 | 33.5 | 0 | 0 | 0 | 113.2 | A142 E186 | A142-P184 HydrophobicContact CB-CB 4.21Å; A142-P184 HydrophobicContact CB-CG 3.3Å; P184-E186 PolarHBondContact O-N 3.36Å |
| 185 | G | 57.9 | Low | 60.3 | Low | 48 Ų | 48 | 98.6 Ų | 98.6 | 50% | 0.495 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -26 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | D183 | D183-G185 PolarHBondContact O-N 3.42Å; D183-G185 PolarHBondContact OD1-N 3.09Å |
| 186 | E | 56 | Low | 58.9 | Low | 140 Ų | 140 | 103.9 Ų | 103.9 | 65% | 0.654 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -22.2 | -179 | -70.3 | -169.7 | 156.8 | 0 | 0 | 112.9 | D183 P184 I188 F189 | D183-E186 HydrophobicContact CB-CG 4.25Å; D183-E186 PolarHBondContact O-N 3.42Å; P184-E186 PolarHBondContact O-N 3.36Å; E186-I188 PolarHBondContact O-N 2.86Å; E186-F189 PolarHBondContact O-N 3.12Å |
| 187 | Q | 52.8 | Low | 57.1 | Low | 92 Ų | 92 | 107.4 Ų | 107.4 | 43% | 0.43 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -69.6 | -16.8 | -177.7 | -61 | -173.2 | 20.8 | 0 | 0 | 113.4 | P182 F189 | P182-Q187 PolarHBondContact O-NE2 2.96Å; Q187-F189 VanDerWaalsContact C-N 3.31Å; Q187-F189 PolarHBondContact O-N 3.06Å |
| 188 | I | 51.5 | Low | 55.4 | Low | 138 Ų | 138 | 111.5 Ų | 111.5 | 71% | 0.708 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -74 | -22.6 | -179 | -56.6 | 173.9 | 0 | 0 | 0 | 111.7 | E186 | E186-I188 PolarHBondContact O-N 2.86Š|
| 189 | F | 46.2 | Very low | 53.5 | Low | 184 Ų | 184 | 115.7 Ų | 115.7 | 81% | 0.807 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -99.4 | -2.7 | -176.7 | -86.9 | -83.6 | 0 | 0 | 0 | 115.6 | E186 Q187 L191 | E186-F189 PolarHBondContact O-N 3.12Å; Q187-F189 VanDerWaalsContact C-N 3.31Å; Q187-F189 PolarHBondContact O-N 3.06Å; F189-L191 PolarHBondContact O-N 3.34Å; F189-L191 VanDerWaalsContact O-N 3.14Å |
| 190 | N | 42.1 | Very low | 52.2 | Low | 144 Ų | 144 | 115.7 Ų | 115.7 | 77% | 0.77 | 62% | 0.622 | S | S | * | * | trans | -91.3 | 68.2 | 178.6 | -80.4 | -0.2 | 0 | 0 | 0 | 112.3 | ||||
| 191 | L | 44.1 | Very low | 50.4 | Low | 154 Ų | 154 | 120.4 Ų | 120.4 | 81% | 0.806 | 66% | 0.655 | S | S | * | * | trans | -74.2 | 131.3 | 155.4 | -168.7 | 68.9 | 0 | 0 | 0 | 108.2 | F189 K193 | F189-L191 PolarHBondContact O-N 3.34Å; F189-L191 VanDerWaalsContact O-N 3.14Å; L191-K193 PolarHBondContact O-N 3.2Å | ||
| 192 | P | 45.6 | Very low | 48.7 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | trans | -67.9 | 112.7 | -175.1 | 16.1 | -15.1 | 0 | 0 | 0 | 110.3 | K194 | P192-K194 PolarHBondContact O-N 3.02Š| ||
| 193 | K | 44.1 | Very low | 47.7 | Very low | 202 Ų | 202 | 128.9 Ų | 128.9 | 88% | 0.878 | 71% | 0.713 | S | S | * | * | trans | -66.2 | 98.6 | 161.5 | -84.1 | -175.1 | 177.7 | 175.1 | 0 | 108.1 | L191 S195 | L191-K193 PolarHBondContact O-N 3.2Å; K193-S195 PolarHBondContact O-N 2.83Å | ||
| 194 | K | 38.5 | Very low | 46 | Very low | 208 Ų | 208 | 133.2 Ų | 133.2 | 90% | 0.904 | 74% | 0.741 | S | S | * | * | trans | -59.2 | 108 | 170.1 | -160.8 | 172.4 | -173.3 | 174.2 | 0 | 108.5 | P192 | P192-K194 PolarHBondContact O-N 3.02Š| ||
| 195 | S | 44.5 | Very low | 44.8 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -109.4 | 115.2 | 168.1 | 48 | 0 | 0 | 0 | 0 | 108.2 | K193 | K193-S195 PolarHBondContact O-N 2.83Š| ||
| 196 | Q | 45.1 | Very low | 43.6 | Very low | 175 Ų | 175 | 137 Ų | 137 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -176.9 | 101.7 | 159.6 | -107 | 169.2 | -14.6 | 0 | 0 | 106.9 | ||||
| 197 | H | 39.5 | Very low | 42.7 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | 64.2 | 98 | 83.8 | -80.2 | -79.4 | 0 | 0 | 0 | 115.2 | |||||
| 198 | H | 39.5 | Very low | 41.9 | Very low | 200 Ų | 200 | 136.9 Ų | 136.9 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | trans | -156.6 | 138 | 142.8 | -73.3 | -63.3 | 0 | 0 | 0 | 105.1 | ||||
| 199 | A | 36.8 | Very low | 41.1 | Very low | 99 Ų | 99 | 141.8 Ų | 141.8 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | cis | -154.5 | 163.4 | 12.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 200 | A | 48.3 | Very low | 40.7 | Very low | 91 Ų | 91 | 137.2 Ų | 137.2 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -82.2 | 156 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 201 | S | 39.2 | Very low | 40.4 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | 146.8 | 129 | 130.1 | -60.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 202 | S | 42.3 | Very low | 40 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -78.2 | -173.3 | 169.5 | -62.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 203 | P | 55.5 | Low | 39.5 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | cis | -142.8 | 178.2 | 1.8 | 37.9 | -15.2 | 0 | 0 | 0 | 118.4 | ||||
| 204 | T | 37.3 | Very low | 39.2 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 83% | 0.828 | 81% | 0.809 | S | S | * | * | trans | 85.4 | 137.6 | 143 | -66.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 205 | A | 34.1 | Very low | 39.8 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | 82.5 | 132.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 206 | G | 32.7 | Very low | 39.4 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | cis | 168.4 | 165 | 4.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 207 | A | 37.3 | Very low | 38.9 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 79.8 | 93.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 208 | T | 35.5 | Very low | 38.8 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | 0.8 | 138.7 | 126.7 | 56.3 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 209 | R | 36.1 | Very low | 39.4 | Very low | 240 Ų | 240 | 124.1 Ų | 124.1 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | 161.6 | 110.8 | 117.2 | -89.7 | -179.2 | 168.9 | -171.9 | -3.3 | 109.2 | |||||
| 210 | A | 36.9 | Very low | 39.2 | Very low | 89 Ų | 89 | 125.5 Ų | 125.5 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | 78.8 | 112.4 | 75.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 211 | S | 35.2 | Very low | 38.7 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | 65.6 | 148 | 139.7 | -51 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 212 | A | 35.2 | Very low | 39.4 | Very low | 80 Ų | 80 | 126 Ų | 126 | 66% | 0.661 | 79% | 0.793 | S | S | * | * | cis | -167.7 | 159.2 | 30.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 213 | T | 35.5 | Very low | 39.2 | Very low | 134 Ų | 134 | 129 Ų | 129 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | 70.8 | 112.1 | 138.9 | 51.7 | 0 | 0 | 0 | 0 | 124 | ||||
| 214 | T | 38 | Very low | 39.4 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -56.6 | 171.5 | 144.8 | 49.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 215 | P | 50.6 | Low | 39.3 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | cis | -158.2 | -171.8 | 38.5 | 39.2 | -13.5 | 0 | 0 | 0 | 119.9 | ||||
| 216 | K | 36.7 | Very low | 39.4 | Very low | 173 Ų | 173 | 127.9 Ų | 127.9 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | 87.2 | 149.1 | 156.4 | -67.9 | 178.9 | 167.1 | -175.4 | 0 | 118.5 | ||||
| 217 | Q | 34.2 | Very low | 39.9 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | cis | -173.2 | 150.5 | -11.7 | -107.5 | 166.3 | -26.2 | 0 | 0 | 106.7 | ||||
| 218 | N | 37.9 | Very low | 40.6 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -73.6 | 161.7 | 166.4 | -90.8 | -3.7 | 0 | 0 | 0 | 111.9 | ||||
| 219 | P | 52.7 | Low | 41.1 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | -153.3 | 151.1 | 95.9 | 36 | -15.3 | 0 | 0 | 0 | 118.6 | |||||
| 220 | C | 32.5 | Very low | 41.4 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 86% | 0.858 | 77% | 0.771 | S | S | * | * | trans | 48.9 | 141.4 | 140.7 | -130.8 | 0 | 0 | 0 | 0 | 126 | ||||
| 221 | S | 37.3 | Very low | 41.6 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -67.1 | -168 | 179.5 | -47.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 222 | P | 54.7 | Low | 42.3 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | cis | -151.9 | 170.4 | 15.9 | 42.4 | -18.8 | 0 | 0 | 0 | 122.5 | ||||
| 223 | H | 38.4 | Very low | 42.6 | Very low | 179 Ų | 179 | 139.8 Ų | 139.8 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | 76.1 | 172.6 | 143.9 | -114.4 | -46.5 | 0 | 0 | 0 | 123.4 | ||||
| 224 | P | 58.6 | Low | 43.2 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | -118.5 | 175.9 | -59 | 6.5 | 17.1 | 0 | 0 | 0 | 114.9 | |||||
| 225 | S | 35 | Very low | 43.3 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | 153.1 | 143 | 128.6 | -150.1 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 226 | S | 37.3 | Very low | 42.9 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | cis | -174.7 | 145.1 | -6.3 | 33.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 227 | R | 43 | Very low | 43.2 | Very low | 215 Ų | 215 | 136.7 Ų | 136.7 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -65.5 | 178 | 172.2 | -125.1 | 179.6 | 157.7 | -179.7 | -4.1 | 112.7 | ||||
| 228 | P | 51.8 | Low | 43.9 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | cis | -138 | 149 | 47.7 | 22.8 | 3.7 | 0 | 0 | 0 | 116.5 | ||||
| 229 | S | 46.2 | Very low | 44.5 | Very low | 89 Ų | 89 | 133.7 Ų | 133.7 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | 50.7 | 136 | 99.5 | -70.1 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 230 | S | 42 | Very low | 44.8 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | cis | -171.5 | 145.6 | 21.5 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 231 | A | 40 | Very low | 45.8 | Very low | 96 Ų | 96 | 130 Ų | 130 | 79% | 0.793 | 76% | 0.756 | S | S | * | * | trans | 173.5 | 130 | 138.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 232 | K | 50.3 | Low | 47.1 | Very low | 207 Ų | 207 | 128.2 Ų | 128.2 | 90% | 0.9 | 75% | 0.747 | S | S | * | * | trans | -55.4 | 134.5 | 177.1 | -72.2 | 162.6 | 169.3 | 174.6 | 0 | 113.6 | ||||
| 233 | R | 41.9 | Very low | 47.7 | Very low | 248 Ų | 248 | 131.5 Ų | 131.5 | 94% | 0.936 | 75% | 0.749 | S | S | * | * | trans | -145.1 | 138.7 | 137.1 | -75.5 | -159.4 | -172.3 | -172.1 | 3.3 | 110.7 | ||||
| 234 | I | 47.3 | Very low | 49.2 | Very low | 153 Ų | 153 | 125 Ų | 125 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | -65.1 | 134.7 | -172.6 | -59.8 | 156.7 | 0 | 0 | 0 | 110 | V236 | I234-V236 PolarHBondContact O-N 3.09Š| ||
| 235 | P | 41.7 | Very low | 50.2 | Low | 119 Ų | 119 | 124.7 Ų | 124.7 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | trans | -80.9 | 113.7 | 161.5 | 31.1 | -23.8 | 0 | 0 | 0 | 107.6 | A237 | P235-A237 PolarHBondContact O-N 3.13Š| ||
| 236 | V | 41.5 | Very low | 52.3 | Low | 130 Ų | 130 | 127.6 Ų | 127.6 | 79% | 0.788 | 71% | 0.714 | S | S | * | * | trans | -62.5 | 106.9 | 163.7 | 171.1 | 0 | 0 | 0 | 0 | 106.1 | I234 T238 | I234-V236 PolarHBondContact O-N 3.09Å; V236-T238 PolarHBondContact O-N 3.2Å | ||
| 237 | A | 43.3 | Very low | 54.7 | Low | 77 Ų | 77 | 129 Ų | 129 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | trans | -63.8 | 112.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | P235 T239 | P235-A237 PolarHBondContact O-N 3.13Å; A237-T239 VanDerWaalsContact C-N 3.31Å; A237-T239 PolarHBondContact O-N 3.08Å | ||
| 238 | T | 47.5 | Very low | 57 | Low | 134 Ų | 134 | 123.8 Ų | 123.8 | 82% | 0.822 | 70% | 0.696 | S | S | * | * | trans | -64.3 | 101 | 153.6 | 28.5 | 0 | 0 | 0 | 0 | 106.4 | V236 T240 | V236-T238 PolarHBondContact O-N 3.2Å; T238-T240 PolarHBondContact O-N 3.27Å | ||
| 239 | T | 52.3 | Low | 58.7 | Low | 123 Ų | 123 | 123.2 Ų | 123.2 | 76% | 0.755 | 68% | 0.684 | S | S | * | * | trans | -59.7 | 104.6 | 171.8 | 43.4 | 0 | 0 | 0 | 0 | 108.1 | A237 | A237-T239 VanDerWaalsContact C-N 3.31Å; A237-T239 PolarHBondContact O-N 3.08Å | ||
| 240 | T | 59 | Low | 60.7 | Low | 123 Ų | 123 | 121.9 Ų | 121.9 | 76% | 0.755 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 125.1 | 156.3 | 47.9 | 0 | 0 | 0 | 0 | 106.7 | T238 A242 | T238-T240 PolarHBondContact O-N 3.27Å; T240-A242 PolarHBondContact O-N 2.9Å; T240-A242 VanDerWaalsContact O-N 3.15Å |
| 241 | P | 52.2 | Low | 63.2 | Low | 52 Ų | 52 | 121.7 Ų | 121.7 | 34% | 0.338 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -55.5 | 126.7 | -177.7 | 18.9 | -29.1 | 0 | 0 | 0 | 108.6 | E245 | P241-E245 VanDerWaalsContact CA-OE2 3.31Å; P241-E245 WeakPolarHBondContact CA-OE2 3.48Å; P241-E245 HydrophobicContact CB-CB 4.07Å; P241-E245 HydrophobicContact CB-CG 4.19Å; P241-E245 VanDerWaalsContact CB-OE2 3.26Å; P241-E245 WeakPolarHBondContact CB-OE2 3.44Å |
| 242 | A | 65.5 | Low | 65.7 | Low | 68 Ų | 68 | 121.3 Ų | 121.3 | 56% | 0.562 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 148.2 | 178 | 0 | 0 | 0 | 0 | 0 | 108.2 | T240 G244 E245 | T240-A242 PolarHBondContact O-N 2.9Å; T240-A242 VanDerWaalsContact O-N 3.15Å; A242-G244 PolarHBondContact O-N 3.33Å; A242-E245 WeakPolarHBondContact O-CB 3.37Å; A242-E245 PolarHBondContact O-N 3.24Å |
| 243 | K | 66.8 | Low | 67.8 | Low | 187 Ų | 187 | 116.1 Ų | 116.1 | 81% | 0.813 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -48.8 | -30.2 | -177 | -171.2 | 179.6 | 173.9 | -171.4 | 0 | 113.6 | E247 | K243-E247 PolarHBondContact O-N 2.59Å |
| 244 | G | 70.1 | Confident | 70.2 | Confident | 44 Ų | 44 | 109 Ų | 109 | 45% | 0.454 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -74.9 | -24.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | A242 E247 L248 | A242-G244 PolarHBondContact O-N 3.33Å; G244-E247 PolarHBondContact O-N 2.85Å; G244-L248 WeakPolarHBondContact O-CB 3.3Å; G244-L248 PolarHBondContact O-N 3.25Å |
| 245 | E | 79.3 | Confident | 72.4 | Confident | 101 Ų | 101 | 106 Ų | 106 | 47% | 0.472 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.3 | -41.3 | 177.1 | -169.1 | 172.2 | -171.1 | 0 | 0 | 110.8 | P241 A242 E247 L248 E249 | P241-E245 VanDerWaalsContact CA-OE2 3.31Å; P241-E245 WeakPolarHBondContact CA-OE2 3.48Å; P241-E245 HydrophobicContact CB-CB 4.07Å; P241-E245 HydrophobicContact CB-CG 4.19Å; P241-E245 VanDerWaalsContact CB-OE2 3.26Å; P241-E245 WeakPolarHBondContact CB-OE2 3.44Å; A242-E245 WeakPolarHBondContact O-CB 3.37Å; A242-E245 PolarHBondContact O-N 3.24Å; E245-E247 VanDerWaalsContact C-N 3.32Å; E245-E247 PolarHBondContact O-N 2.84Å; E245-L248 PolarHBondContact O-N 3.47Å; E245-E249 WeakPolarHBondContact O-CB 3.42Å; E245-E249 VanDerWaalsContact O-CG 3.27Å; E245-E249 WeakPolarHBondContact O-CG 3.34Å; E245-E249 PolarHBondContact O-N 3.3Å |
| 246 | R | 80.4 | Confident | 74.9 | Confident | 173 Ų | 173 | 104.5 Ų | 104.5 | 65% | 0.653 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.2 | -35 | 171 | -83 | -171.6 | -172.8 | 159.9 | 3.4 | 113.4 | A250 | R246-A250 WeakPolarHBondContact O-CB 3.36Å; R246-A250 PolarHBondContact O-N 3.22Å |
| 247 | E | 86.6 | Confident | 77.4 | Confident | 134 Ų | 134 | 103 Ų | 103 | 63% | 0.626 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.5 | -41.7 | 177.3 | -173.5 | 170.7 | -177.2 | 0 | 0 | 110.8 | K243 G244 E245 A250 Q251 | K243-E247 PolarHBondContact O-N 2.59Å; G244-E247 PolarHBondContact O-N 2.85Å; E245-E247 VanDerWaalsContact C-N 3.32Å; E245-E247 PolarHBondContact O-N 2.84Å; E247-A250 PolarHBondContact O-N 3.41Å; E247-Q251 PolarHBondContact O-N 3.24Å |
| 248 | L | 90.4 | Very high | 79.8 | Confident | 106 Ų | 106 | 104.3 Ų | 104.3 | 56% | 0.555 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.1 | -43.8 | 173.3 | -173 | 64.3 | 0 | 0 | 0 | 111.9 | G244 E245 A250 Q251 V252 | G244-L248 WeakPolarHBondContact O-CB 3.3Å; G244-L248 PolarHBondContact O-N 3.25Å; E245-L248 PolarHBondContact O-N 3.47Å; L248-A250 VanDerWaalsContact C-N 3.33Å; L248-A250 PolarHBondContact O-N 2.7Å; L248-Q251 PolarHBondContact O-N 3.36Å; L248-V252 VanDerWaalsContact O-CG2 3.31Å; L248-V252 WeakPolarHBondContact O-CG2 3.49Å; L248-V252 PolarHBondContact O-N 3.38Å |
| 249 | E | 88.6 | Confident | 82.1 | Confident | 106 Ų | 106 | 101.1 Ų | 101.1 | 50% | 0.495 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.3 | -40.7 | 174.7 | -75.7 | 173 | 174.5 | 0 | 0 | 112.3 | E245 V252 T253 | E245-E249 WeakPolarHBondContact O-CB 3.42Å; E245-E249 VanDerWaalsContact O-CG 3.27Å; E245-E249 WeakPolarHBondContact O-CG 3.34Å; E245-E249 PolarHBondContact O-N 3.3Å; E249-V252 PolarHBondContact O-N 3.21Å; E249-T253 WeakPolarHBondContact O-CB 3.34Å; E249-T253 PolarHBondContact O-N 3.32Å; E249-T253 PolarHBondContact O-OG1 3.13Å |
| 250 | A | 89.1 | Confident | 84.1 | Confident | 61 Ų | 61 | 98.6 Ų | 98.6 | 50% | 0.504 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R246 E247 L248 T253 L254 | R246-A250 WeakPolarHBondContact O-CB 3.36Å; R246-A250 PolarHBondContact O-N 3.22Å; E247-A250 PolarHBondContact O-N 3.41Å; L248-A250 VanDerWaalsContact C-N 3.33Å; L248-A250 PolarHBondContact O-N 2.7Å; A250-T253 PolarHBondContact O-N 3.23Å; A250-L254 PolarHBondContact O-N 2.94Å |
| 251 | Q | 92.9 | Very high | 85.8 | Confident | 113 Ų | 113 | 96.5 Ų | 96.5 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.5 | -41.9 | 177 | -171.6 | 161.6 | 28.8 | 0 | 0 | 112.1 | E247 L248 T253 L254 L255 | E247-Q251 PolarHBondContact O-N 3.24Å; L248-Q251 PolarHBondContact O-N 3.36Å; Q251-T253 VanDerWaalsContact C-N 3.29Å; Q251-T253 PolarHBondContact O-N 3.16Å; Q251-L254 PolarHBondContact O-N 3.39Å; Q251-L255 HydrophobicContact CG-CD1 3.93Å; Q251-L255 VanDerWaalsContact O-CD1 3.32Å; Q251-L255 WeakPolarHBondContact O-CD1 3.34Å; Q251-L255 PolarHBondContact O-N 3.16Å |
| 252 | V | 93.9 | Very high | 87.8 | Confident | 89 Ų | 89 | 100 Ų | 100 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 174.3 | 169.7 | 0 | 0 | 0 | 0 | 111 | L248 E249 L255 N256 | L248-V252 VanDerWaalsContact O-CG2 3.31Å; L248-V252 WeakPolarHBondContact O-CG2 3.49Å; L248-V252 PolarHBondContact O-N 3.38Å; E249-V252 PolarHBondContact O-N 3.21Å; V252-L255 PolarHBondContact O-N 3.03Å; V252-N256 WeakPolarHBondContact O-CB 3.08Å; V252-N256 PolarHBondContact O-N 2.84Å |
| 253 | T | 93.8 | Very high | 89.2 | Confident | 97 Ų | 97 | 102.9 Ų | 102.9 | 60% | 0.595 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.8 | -44 | 177.3 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | E249 A250 Q251 N256 D257 | E249-T253 WeakPolarHBondContact O-CB 3.34Å; E249-T253 PolarHBondContact O-N 3.32Å; E249-T253 PolarHBondContact O-OG1 3.13Å; A250-T253 PolarHBondContact O-N 3.23Å; Q251-T253 VanDerWaalsContact C-N 3.29Å; Q251-T253 PolarHBondContact O-N 3.16Å; T253-N256 PolarHBondContact O-N 3.16Å; T253-D257 PolarHBondContact O-N 3.01Å |
| 254 | L | 92.3 | Very high | 90.4 | Very high | 98 Ų | 98 | 99.6 Ų | 99.6 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 177.3 | -179.5 | 64.7 | 0 | 0 | 0 | 112.2 | A250 Q251 N256 D257 Q258 | A250-L254 PolarHBondContact O-N 2.94Å; Q251-L254 PolarHBondContact O-N 3.39Å; L254-N256 VanDerWaalsContact C-N 3.3Å; L254-N256 PolarHBondContact O-N 3.29Å; L254-D257 PolarHBondContact O-N 3.45Å; L254-Q258 WeakPolarHBondContact O-CG 3.4Å; L254-Q258 PolarHBondContact O-N 2.6Å |
| 255 | L | 93.1 | Very high | 91.4 | Very high | 90 Ų | 90 | 100.1 Ų | 100.1 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 177.3 | -96.5 | 70.4 | 0 | 0 | 0 | 111.4 | Q251 V252 D257 Q258 V259 | Q251-L255 HydrophobicContact CG-CD1 3.93Å; Q251-L255 VanDerWaalsContact O-CD1 3.32Å; Q251-L255 WeakPolarHBondContact O-CD1 3.34Å; Q251-L255 PolarHBondContact O-N 3.16Å; V252-L255 PolarHBondContact O-N 3.03Å; L255-D257 VanDerWaalsContact C-N 3.34Å; L255-Q258 PolarHBondContact O-N 3.01Å; L255-V259 WeakPolarHBondContact O-CG2 3.44Å; L255-V259 PolarHBondContact O-N 2.83Å |
| 256 | N | 94.8 | Very high | 92.2 | Very high | 88 Ų | 88 | 100.2 Ų | 100.2 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 177.6 | -162.9 | -9.3 | 0 | 0 | 0 | 111.4 | V252 T253 L254 V259 N260 | V252-N256 WeakPolarHBondContact O-CB 3.08Å; V252-N256 PolarHBondContact O-N 2.84Å; T253-N256 PolarHBondContact O-N 3.16Å; L254-N256 VanDerWaalsContact C-N 3.3Å; L254-N256 PolarHBondContact O-N 3.29Å; N256-V259 PolarHBondContact O-N 3.41Å; N256-N260 WeakPolarHBondContact O-CB 3.36Å; N256-N260 VanDerWaalsContact O-CG 3.23Å; N256-N260 PolarHBondContact O-N 3.45Å; N256-N260 PolarHBondContact O-ND2 3.29Å; N256-N260 PolarHBondContact OD1-ND2 3.16Å; N256-N260 VanDerWaalsContact OD1-ND2 3.1Å |
| 257 | D | 94.1 | Very high | 92.8 | Very high | 99 Ų | 99 | 96.2 Ų | 96.2 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 174.7 | -167.3 | 60.2 | 0 | 0 | 0 | 112.4 | T253 L254 L255 N260 T261 | T253-D257 PolarHBondContact O-N 3.01Å; L254-D257 PolarHBondContact O-N 3.45Å; L255-D257 VanDerWaalsContact C-N 3.34Å; D257-N260 PolarHBondContact O-N 3.26Å; D257-T261 WeakPolarHBondContact O-CB 3.49Å; D257-T261 PolarHBondContact O-N 3.25Å; D257-T261 PolarHBondContact O-OG1 3.07Å |
| 258 | Q | 93.5 | Very high | 93 | Very high | 104 Ų | 104 | 91.3 Ų | 91.3 | 49% | 0.486 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 173.6 | -71.9 | -179.9 | -5.5 | 0 | 0 | 112 | L254 L255 N260 T261 L262 | L254-Q258 WeakPolarHBondContact O-CG 3.4Å; L254-Q258 PolarHBondContact O-N 2.6Å; L255-Q258 PolarHBondContact O-N 3.01Å; Q258-N260 VanDerWaalsContact C-N 3.32Å; Q258-N260 PolarHBondContact O-N 2.96Å; Q258-T261 PolarHBondContact O-N 3.42Å; Q258-L262 WeakPolarHBondContact O-CG 3.46Å; Q258-L262 PolarHBondContact O-N 3.34Å |
| 259 | V | 96.1 | Very high | 93.2 | Very high | 67 Ų | 67 | 90.2 Ų | 90.2 | 41% | 0.406 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 177 | 168.4 | 0 | 0 | 0 | 0 | 111 | L255 N256 L262 K263 | L255-V259 WeakPolarHBondContact O-CG2 3.44Å; L255-V259 PolarHBondContact O-N 2.83Å; N256-V259 PolarHBondContact O-N 3.41Å; V259-L262 PolarHBondContact O-N 3.3Å; V259-K263 HydrophobicContact CG1-CD 4.1Å; V259-K263 HydrophobicContact CG1-CG 4.49Å; V259-K263 WeakPolarHBondContact O-CB 3.21Å; V259-K263 VanDerWaalsContact O-CG 3.28Å; V259-K263 WeakPolarHBondContact O-CG 3.02Å; V259-K263 PolarHBondContact O-N 3.48Å |
| 260 | N | 94.7 | Very high | 93.5 | Very high | 71 Ų | 71 | 89.1 Ų | 89.1 | 38% | 0.38 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 178.1 | -68.2 | -35.7 | 0 | 0 | 0 | 111.8 | N256 D257 Q258 K263 L264 | N256-N260 WeakPolarHBondContact O-CB 3.36Å; N256-N260 VanDerWaalsContact O-CG 3.23Å; N256-N260 PolarHBondContact O-N 3.45Å; N256-N260 PolarHBondContact O-ND2 3.29Å; N256-N260 PolarHBondContact OD1-ND2 3.16Å; N256-N260 VanDerWaalsContact OD1-ND2 3.1Å; D257-N260 PolarHBondContact O-N 3.26Å; Q258-N260 VanDerWaalsContact C-N 3.32Å; Q258-N260 PolarHBondContact O-N 2.96Å; N260-K263 PolarHBondContact O-N 3.27Å; N260-L264 WeakPolarHBondContact O-CG 3.3Å; N260-L264 PolarHBondContact O-N 3.49Å |
| 261 | T | 93.6 | Very high | 93.7 | Very high | 79 Ų | 79 | 92.1 Ų | 92.1 | 49% | 0.485 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 175.2 | -60 | 0 | 0 | 0 | 0 | 111.2 | D257 Q258 K263 L264 A265 | D257-T261 WeakPolarHBondContact O-CB 3.49Å; D257-T261 PolarHBondContact O-N 3.25Å; D257-T261 PolarHBondContact O-OG1 3.07Å; Q258-T261 PolarHBondContact O-N 3.42Å; T261-K263 PolarHBondContact O-N 3.48Å; T261-L264 PolarHBondContact O-N 2.89Å; T261-A265 WeakPolarHBondContact O-CB 3.39Å; T261-A265 PolarHBondContact O-N 2.88Å |
| 262 | L | 93.8 | Very high | 93.8 | Very high | 124 Ų | 124 | 88.3 Ų | 88.3 | 65% | 0.649 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.1 | -39.6 | 178.1 | -71.4 | 173.8 | 0 | 0 | 0 | 112.1 | Q258 V259 A265 L266 | Q258-L262 WeakPolarHBondContact O-CG 3.46Å; Q258-L262 PolarHBondContact O-N 3.34Å; V259-L262 PolarHBondContact O-N 3.3Å; L262-A265 PolarHBondContact O-N 3.23Å; L262-L266 WeakPolarHBondContact O-CB 3.47Å; L262-L266 PolarHBondContact O-N 2.85Å |
| 263 | K | 94.7 | Very high | 93.9 | Very high | 130 Ų | 130 | 91 Ų | 91 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.5 | -45.1 | 175.2 | -77.9 | 176.7 | 177.7 | -179.9 | 0 | 112.3 | V259 N260 T261 A265 L266 E267 | V259-K263 HydrophobicContact CG1-CD 4.1Å; V259-K263 HydrophobicContact CG1-CG 4.49Å; V259-K263 WeakPolarHBondContact O-CB 3.21Å; V259-K263 VanDerWaalsContact O-CG 3.28Å; V259-K263 WeakPolarHBondContact O-CG 3.02Å; V259-K263 PolarHBondContact O-N 3.48Å; N260-K263 PolarHBondContact O-N 3.27Å; T261-K263 PolarHBondContact O-N 3.48Å; K263-A265 VanDerWaalsContact C-N 3.33Å; K263-L266 PolarHBondContact O-N 3.17Å; K263-E267 WeakPolarHBondContact O-CB 3.39Å; K263-E267 PolarHBondContact O-N 3.23Å |
| 264 | L | 92.3 | Very high | 93.9 | Very high | 118 Ų | 118 | 90.5 Ų | 90.5 | 62% | 0.618 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.3 | -38.1 | 177.1 | -71.3 | 171.7 | 0 | 0 | 0 | 111.8 | N260 T261 G268 | N260-L264 WeakPolarHBondContact O-CG 3.3Å; N260-L264 PolarHBondContact O-N 3.49Å; T261-L264 PolarHBondContact O-N 2.89Å; L264-G268 PolarHBondContact O-N 3.18Å |
| 265 | A | 91.9 | Very high | 94.1 | Very high | 55 Ų | 55 | 91.4 Ų | 91.4 | 46% | 0.455 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T261 L262 K263 G268 V269 | T261-A265 WeakPolarHBondContact O-CB 3.39Å; T261-A265 PolarHBondContact O-N 2.88Å; L262-A265 PolarHBondContact O-N 3.23Å; K263-A265 VanDerWaalsContact C-N 3.33Å; A265-G268 WeakPolarHBondContact O-CA 3.43Å; A265-G268 PolarHBondContact O-N 2.98Å; A265-G268 VanDerWaalsContact O-N 3.16Å; A265-V269 WeakPolarHBondContact O-CG2 3.3Å; A265-V269 PolarHBondContact O-N 3.19Å |
| 266 | L | 94.7 | Very high | 94.2 | Very high | 102 Ų | 102 | 91.9 Ų | 91.9 | 53% | 0.534 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 177.4 | -173.9 | 65.5 | 0 | 0 | 0 | 111.4 | L262 K263 G268 V269 E270 | L262-L266 WeakPolarHBondContact O-CB 3.47Å; L262-L266 PolarHBondContact O-N 2.85Å; K263-L266 PolarHBondContact O-N 3.17Å; L266-G268 PolarHBondContact O-N 3.19Å; L266-V269 PolarHBondContact O-N 2.98Å; L266-V269 VanDerWaalsContact O-N 3.13Å; L266-E270 HydrophobicContact CG-CG 4.48Å; L266-E270 WeakPolarHBondContact O-CG 3.33Å; L266-E270 PolarHBondContact O-N 3.06Å |
| 267 | E | 94.9 | Very high | 94.3 | Very high | 89 Ų | 89 | 94.4 Ų | 94.4 | 42% | 0.416 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.6 | -36 | 175.4 | -170.9 | -169.2 | 159.7 | 0 | 0 | 111.7 | K263 K271 | K263-E267 WeakPolarHBondContact O-CB 3.39Å; K263-E267 PolarHBondContact O-N 3.23Å; E267-K271 WeakPolarHBondContact O-CG 3.38Å; E267-K271 PolarHBondContact O-N 3.21Å; E267-K271 VanDerWaalsContact O-N 3.16Å; E267-K271 WeakPolarHBondContact OE1-CE 3.37Å; E267-K271 IonicContact OE1-NZ 2.56Å; E267-K271 PolarHBondContact OE1-NZ 2.88Å |
| 268 | G | 90.5 | Very high | 94.4 | Very high | 32 Ų | 32 | 91 Ų | 91 | 33% | 0.33 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.7 | -51.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L264 A265 L266 E270 K271 E272 | L264-G268 PolarHBondContact O-N 3.18Å; A265-G268 WeakPolarHBondContact O-CA 3.43Å; A265-G268 PolarHBondContact O-N 2.98Å; A265-G268 VanDerWaalsContact O-N 3.16Å; L266-G268 PolarHBondContact O-N 3.19Å; G268-E270 VanDerWaalsContact C-N 3.34Å; G268-E270 PolarHBondContact O-N 2.85Å; G268-K271 PolarHBondContact O-N 3.08Å; G268-E272 WeakPolarHBondContact O-CG 3.21Å; G268-E272 PolarHBondContact O-N 3.32Å; G268-E272 VanDerWaalsContact O-N 3.09Å |
| 269 | V | 93.7 | Very high | 94.5 | Very high | 83 Ų | 83 | 90.5 Ų | 90.5 | 50% | 0.503 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.1 | -38.9 | 179.4 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | A265 L266 K271 E272 R273 | A265-V269 WeakPolarHBondContact O-CG2 3.3Å; A265-V269 PolarHBondContact O-N 3.19Å; L266-V269 PolarHBondContact O-N 2.98Å; L266-V269 VanDerWaalsContact O-N 3.13Å; V269-K271 PolarHBondContact O-N 3.19Å; V269-E272 PolarHBondContact O-N 2.96Å; V269-R273 WeakPolarHBondContact O-CB 3.26Å; V269-R273 PolarHBondContact O-N 3.48Å |
| 270 | E | 95.6 | Very high | 94.5 | Very high | 82 Ų | 82 | 91.8 Ų | 91.8 | 38% | 0.383 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 176.3 | -74 | 177.3 | 149 | 0 | 0 | 111.8 | L266 G268 E272 R273 D274 | L266-E270 HydrophobicContact CG-CG 4.48Å; L266-E270 WeakPolarHBondContact O-CG 3.33Å; L266-E270 PolarHBondContact O-N 3.06Å; G268-E270 VanDerWaalsContact C-N 3.34Å; G268-E270 PolarHBondContact O-N 2.85Å; E270-E272 VanDerWaalsContact C-N 3.29Å; E270-E272 PolarHBondContact O-N 2.94Å; E270-R273 PolarHBondContact O-N 3.33Å; E270-D274 WeakPolarHBondContact O-CB 3.39Å; E270-D274 PolarHBondContact O-N 3.42Å |
| 271 | K | 93.7 | Very high | 94.6 | Very high | 125 Ų | 125 | 93.9 Ų | 93.9 | 54% | 0.543 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.6 | -37.7 | 174.7 | -74 | 171.5 | -173.7 | 163 | 0 | 112.1 | E267 G268 V269 F275 | E267-K271 WeakPolarHBondContact O-CG 3.38Å; E267-K271 PolarHBondContact O-N 3.21Å; E267-K271 VanDerWaalsContact O-N 3.16Å; E267-K271 WeakPolarHBondContact OE1-CE 3.37Å; E267-K271 IonicContact OE1-NZ 2.56Å; E267-K271 PolarHBondContact OE1-NZ 2.88Å; G268-K271 PolarHBondContact O-N 3.08Å; V269-K271 PolarHBondContact O-N 3.19Å; K271-F275 VanDerWaalsContact O-CB 3.31Å; K271-F275 WeakPolarHBondContact O-CB 3.43Å; K271-F275 PolarHBondContact O-N 3.39Å |
| 272 | E | 93.6 | Very high | 94.7 | Very high | 32 Ų | 32 | 95.2 Ų | 95.2 | 15% | 0.15 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -67.9 | -46.5 | 176.2 | -69.9 | -170.7 | 151.2 | 0 | 0 | 112 | S52 I53 G268 V269 E270 D274 F275 Y276 | S52-E272 VanDerWaalsContact CA-OE1 3.31Å; S52-E272 WeakPolarHBondContact CA-OE1 2.88Å; S52-E272 WeakPolarHBondContact CB-OE1 2.69Å; S52-E272 VanDerWaalsContact O-OE1 3.09Å; I53-E272 WeakPolarHBondContact CA-OE1 3.44Å; I53-E272 PolarHBondContact N-OE1 3.08Å; G268-E272 WeakPolarHBondContact O-CG 3.21Å; G268-E272 PolarHBondContact O-N 3.32Å; G268-E272 VanDerWaalsContact O-N 3.09Å; V269-E272 PolarHBondContact O-N 2.96Å; E270-E272 VanDerWaalsContact C-N 3.29Å; E270-E272 PolarHBondContact O-N 2.94Å; E272-D274 VanDerWaalsContact C-N 3.28Å; E272-D274 PolarHBondContact O-N 3.45Å; E272-F275 WeakPolarHBondContact O-CB 3.47Å; E272-F275 PolarHBondContact O-N 3.23Å; E272-F275 VanDerWaalsContact O-N 3.13Å; E272-Y276 HydrophobicContact CB-CD2 4.37Å; E272-Y276 HydrophobicContact CB-CE2 4.09Å; E272-Y276 WeakPolarHBondContact O-CD2 3.24Å; E272-Y276 PolarHBondContact O-N 3.5Å |
| 273 | R | 96.2 | Very high | 94.6 | Very high | 145 Ų | 145 | 92.2 Ų | 92.2 | 55% | 0.547 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -52.7 | -49.5 | 173.4 | -178.8 | -159.5 | 66.6 | -157.4 | -6.3 | 110.4 | V269 E270 F275 Y276 F277 | V269-R273 WeakPolarHBondContact O-CB 3.26Å; V269-R273 PolarHBondContact O-N 3.48Å; E270-R273 PolarHBondContact O-N 3.33Å; R273-F275 VanDerWaalsContact C-N 3.33Å; R273-F275 PolarHBondContact O-N 2.94Å; R273-Y276 PolarHBondContact O-N 3.35Å; R273-F277 WeakPolarHBondContact O-CB 3.38Å; R273-F277 PolarHBondContact O-N 3Å |
| 274 | D | 94 | Very high | 94.5 | Very high | 88 Ų | 88 | 87.1 Ų | 87.1 | 47% | 0.471 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.5 | -35.9 | -179.1 | -66.6 | -5.8 | 0 | 0 | 0 | 111.8 | E270 E272 G278 | E270-D274 WeakPolarHBondContact O-CB 3.39Å; E270-D274 PolarHBondContact O-N 3.42Å; E272-D274 VanDerWaalsContact C-N 3.28Å; E272-D274 PolarHBondContact O-N 3.45Å; D274-G278 PolarHBondContact O-N 3.45Å |
| 275 | F | 96.1 | Very high | 94.5 | Very high | 116 Ų | 116 | 83.9 Ų | 83.9 | 51% | 0.509 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.8 | -49.7 | 174.8 | 174.7 | -95 | 0 | 0 | 0 | 112.2 | K271 E272 R273 G278 K279 | K271-F275 VanDerWaalsContact O-CB 3.31Å; K271-F275 WeakPolarHBondContact O-CB 3.43Å; K271-F275 PolarHBondContact O-N 3.39Å; E272-F275 WeakPolarHBondContact O-CB 3.47Å; E272-F275 PolarHBondContact O-N 3.23Å; E272-F275 VanDerWaalsContact O-N 3.13Å; R273-F275 VanDerWaalsContact C-N 3.33Å; R273-F275 PolarHBondContact O-N 2.94Å; F275-G278 PolarHBondContact O-N 2.66Å; F275-K279 HydrophobicContact CE1-CG 4.27Å; F275-K279 HydrophobicContact CZ-CG 4.24Å; F275-K279 WeakPolarHBondContact O-CG 3.49Å; F275-K279 PolarHBondContact O-N 3.19Å |
| 276 | Y | 96.8 | Very high | 94.4 | Very high | 100 Ų | 100 | 86 Ų | 86 | 39% | 0.392 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.8 | -41.8 | 179.4 | -68 | -59.7 | 0 | 0 | 0 | 111.7 | I53 E272 R273 G278 K279 L280 | I53-Y276 HydrophobicContact CD1-CE2 3.94Å; I53-Y276 WeakPolarHBondContact CD1-OH 3.24Å; I53-Y276 HydrophobicContact CG1-CE2 4.3Å; E272-Y276 HydrophobicContact CB-CD2 4.37Å; E272-Y276 HydrophobicContact CB-CE2 4.09Å; E272-Y276 WeakPolarHBondContact O-CD2 3.24Å; E272-Y276 PolarHBondContact O-N 3.5Å; R273-Y276 PolarHBondContact O-N 3.35Å; Y276-G278 VanDerWaalsContact C-N 3.33Å; Y276-G278 PolarHBondContact O-N 3.16Å; Y276-K279 PolarHBondContact O-N 3.36Å; Y276-L280 WeakPolarHBondContact O-CG 3.14Å; Y276-L280 PolarHBondContact O-N 3.08Å |
| 277 | F | 95.4 | Very high | 94.2 | Very high | 141 Ų | 141 | 81.7 Ų | 81.7 | 62% | 0.618 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -57.7 | -46.5 | 173 | 178.6 | -97 | 0 | 0 | 0 | 111.5 | R273 K279 L280 R281 | R273-F277 WeakPolarHBondContact O-CB 3.38Å; R273-F277 PolarHBondContact O-N 3Å; F277-K279 VanDerWaalsContact C-N 3.34Å; F277-K279 PolarHBondContact O-N 3.43Å; F277-L280 PolarHBondContact O-N 3.02Å; F277-R281 WeakPolarHBondContact O-CB 3.25Å; F277-R281 PolarHBondContact O-N 2.84Å |
| 278 | G | 96.4 | Very high | 93.7 | Very high | 28 Ų | 28 | 82.5 Ų | 82.5 | 29% | 0.289 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.5 | -43.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D274 F275 Y276 R281 E282 | D274-G278 PolarHBondContact O-N 3.45Å; F275-G278 PolarHBondContact O-N 2.66Å; Y276-G278 VanDerWaalsContact C-N 3.33Å; Y276-G278 PolarHBondContact O-N 3.16Å; G278-R281 PolarHBondContact O-N 2.9Å; G278-E282 WeakPolarHBondContact O-CG 3.4Å; G278-E282 PolarHBondContact O-N 3.44Å |
| 279 | K | 96.8 | Very high | 93.5 | Very high | 93 Ų | 93 | 87.4 Ų | 87.4 | 40% | 0.404 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 176.3 | -73.6 | -74.6 | 154.5 | -141.8 | 0 | 112.6 | F275 Y276 F277 R281 E282 V283 | F275-K279 HydrophobicContact CE1-CG 4.27Å; F275-K279 HydrophobicContact CZ-CG 4.24Å; F275-K279 WeakPolarHBondContact O-CG 3.49Å; F275-K279 PolarHBondContact O-N 3.19Å; Y276-K279 PolarHBondContact O-N 3.36Å; F277-K279 VanDerWaalsContact C-N 3.34Å; F277-K279 PolarHBondContact O-N 3.43Å; K279-R281 VanDerWaalsContact C-N 3.3Å; K279-R281 PolarHBondContact O-N 2.71Å; K279-E282 IonicContact NZ-OE1 3.68Å; K279-E282 IonicContact NZ-OE2 2.7Å; K279-E282 PolarHBondContact NZ-OE2 2.96Å; K279-E282 PolarHBondContact O-N 2.79Å; K279-V283 WeakPolarHBondContact O-CG2 3.48Å; K279-V283 PolarHBondContact O-N 3Å; K279-V283 VanDerWaalsContact O-N 3.09Å |
| 280 | L | 95.9 | Very high | 92.5 | Very high | 95 Ų | 95 | 89.3 Ų | 89.3 | 50% | 0.497 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.3 | -37.5 | 177.2 | -67.2 | 170.2 | 0 | 0 | 0 | 111.2 | Y276 F277 V283 E284 L305 | Y276-L280 WeakPolarHBondContact O-CG 3.14Å; Y276-L280 PolarHBondContact O-N 3.08Å; F277-L280 PolarHBondContact O-N 3.02Å; L280-V283 PolarHBondContact O-N 3.33Å; L280-E284 WeakPolarHBondContact O-CB 3.41Å; L280-E284 PolarHBondContact O-N 2.95Å; L280-L305 HydrophobicContact CB-CD2 4.16Å; L280-L305 HydrophobicContact CD2-CD2 3.62Å; L280-L305 HydrophobicContact CG-CD2 4.38Å |
| 281 | R | 95.1 | Very high | 91 | Very high | 115 Ų | 115 | 86.8 Ų | 86.8 | 43% | 0.434 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 175.3 | -175.5 | 60.2 | 179.7 | 175.5 | 6.2 | 112.7 | F277 G278 K279 V283 E284 V285 | F277-R281 WeakPolarHBondContact O-CB 3.25Å; F277-R281 PolarHBondContact O-N 2.84Å; G278-R281 PolarHBondContact O-N 2.9Å; K279-R281 VanDerWaalsContact C-N 3.3Å; K279-R281 PolarHBondContact O-N 2.71Å; R281-V283 VanDerWaalsContact C-N 3.3Å; R281-V283 PolarHBondContact O-N 3.36Å; R281-E284 WeakPolarHBondContact CD-OE2 3.28Å; R281-E284 IonicContact CZ-OE1 2.71Å; R281-E284 IonicContact CZ-OE2 2.66Å; R281-E284 IonicContact NE-OE2 2.66Å; R281-E284 IonicContact NH1-OE1 2.79Å; R281-E284 PolarHBondContact NH1-OE1 2.95Å; R281-E284 IonicContact NH1-OE2 2.83Å; R281-E284 PolarHBondContact NH1-OE2 2.56Å; R281-E284 PolarHBondContact O-N 3.27Å; R281-V285 WeakPolarHBondContact O-CG2 3.38Å; R281-V285 PolarHBondContact O-N 3.37Å |
| 282 | E | 96.1 | Very high | 89.6 | Confident | 107 Ų | 107 | 90 Ų | 90 | 50% | 0.5 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.4 | -44.3 | 173 | -75.6 | 171.3 | -171.1 | 0 | 0 | 111 | G278 K279 V285 L286 | G278-E282 WeakPolarHBondContact O-CG 3.4Å; G278-E282 PolarHBondContact O-N 3.44Å; K279-E282 IonicContact NZ-OE1 3.68Å; K279-E282 IonicContact NZ-OE2 2.7Å; K279-E282 PolarHBondContact NZ-OE2 2.96Å; K279-E282 PolarHBondContact O-N 2.79Å; E282-V285 PolarHBondContact O-N 2.99Å; E282-L286 WeakPolarHBondContact O-CG 3.44Å; E282-L286 PolarHBondContact O-N 3.5Å; E282-L286 VanDerWaalsContact O-N 3.09Å |
| 283 | V | 93.1 | Very high | 88.6 | Confident | 61 Ų | 61 | 96.9 Ų | 96.9 | 37% | 0.37 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 177.1 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | K279 L280 R281 V285 L286 A287 L301 | K279-V283 WeakPolarHBondContact O-CG2 3.48Å; K279-V283 PolarHBondContact O-N 3Å; K279-V283 VanDerWaalsContact O-N 3.09Å; L280-V283 PolarHBondContact O-N 3.33Å; R281-V283 VanDerWaalsContact C-N 3.3Å; R281-V283 PolarHBondContact O-N 3.36Å; V283-V285 PolarHBondContact O-N 2.91Å; V283-L286 PolarHBondContact O-N 2.94Å; V283-A287 WeakPolarHBondContact O-CB 3.39Å; V283-A287 PolarHBondContact O-N 3.32Å; V283-L301 HydrophobicContact CG1-CD1 4.04Å; V283-L301 HydrophobicContact CG1-CD2 3.99Å; V283-L301 HydrophobicContact CG1-CG 4.49Å |
| 284 | E | 92.1 | Very high | 87.9 | Confident | 22 Ų | 22 | 93.1 Ų | 93.1 | 10% | 0.103 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 177.2 | -168.4 | -160.1 | 148.2 | 0 | 0 | 111.7 | L280 R281 A287 Q288 M302 L305 Y306 | L280-E284 WeakPolarHBondContact O-CB 3.41Å; L280-E284 PolarHBondContact O-N 2.95Å; R281-E284 WeakPolarHBondContact CD-OE2 3.28Å; R281-E284 IonicContact CZ-OE1 2.71Å; R281-E284 IonicContact CZ-OE2 2.66Å; R281-E284 IonicContact NE-OE2 2.66Å; R281-E284 IonicContact NH1-OE1 2.79Å; R281-E284 PolarHBondContact NH1-OE1 2.95Å; R281-E284 IonicContact NH1-OE2 2.83Å; R281-E284 PolarHBondContact NH1-OE2 2.56Å; R281-E284 PolarHBondContact O-N 3.27Å; E284-A287 PolarHBondContact O-N 3.44Å; E284-Q288 WeakPolarHBondContact O-CG 3.35Å; E284-Q288 PolarHBondContact O-N 3.3Å; E284-Q288 PolarHBondContact OE1-NE2 3.38Å; E284-M302 HydrophobicContact CG-CE 4.29Å; E284-M302 HydrophobicContact CG-SD 4.23Å; E284-L305 HydrophobicContact CB-CD1 3.97Å; E284-L305 HydrophobicContact CG-CD1 4.24Å; E284-Y306 VanDerWaalsContact CD-OH 3.26Å; E284-Y306 PolarHBondContact OE1-OH 2.8Å |
| 285 | V | 92.3 | Very high | 87.4 | Confident | 50 Ų | 50 | 91.6 Ų | 91.6 | 30% | 0.303 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61 | -47 | 177.7 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | R281 E282 V283 A287 Q288 E289 | R281-V285 WeakPolarHBondContact O-CG2 3.38Å; R281-V285 PolarHBondContact O-N 3.37Å; E282-V285 PolarHBondContact O-N 2.99Å; V283-V285 PolarHBondContact O-N 2.91Å; V285-A287 VanDerWaalsContact C-N 3.29Å; V285-A287 PolarHBondContact O-N 3.06Å; V285-Q288 PolarHBondContact O-N 3.34Å; V285-E289 HydrophobicContact CG1-CG 4.46Å; V285-E289 WeakPolarHBondContact O-CG 3.32Å; V285-E289 PolarHBondContact O-N 3.3Å |
| 286 | L | 90.6 | Very high | 86.9 | Confident | 101 Ų | 101 | 93.6 Ų | 93.6 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 177.7 | -71.8 | 172.2 | 0 | 0 | 0 | 112.3 | E282 V283 E289 Q290 | E282-L286 WeakPolarHBondContact O-CG 3.44Å; E282-L286 PolarHBondContact O-N 3.5Å; E282-L286 VanDerWaalsContact O-N 3.09Å; V283-L286 PolarHBondContact O-N 2.94Å; L286-E289 PolarHBondContact O-N 3.39Å; L286-Q290 WeakPolarHBondContact O-CB 3.37Å; L286-Q290 WeakPolarHBondContact O-CG 3.5Å; L286-Q290 PolarHBondContact O-N 3.48Å; L286-Q290 VanDerWaalsContact O-N 3.13Å |
| 287 | A | 88.9 | Confident | 86.5 | Confident | 11 Ų | 11 | 94.7 Ų | 94.7 | 9% | 0.091 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -67 | -37.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V283 E284 V285 V298 L301 | V283-A287 WeakPolarHBondContact O-CB 3.39Å; V283-A287 PolarHBondContact O-N 3.32Å; E284-A287 PolarHBondContact O-N 3.44Å; V285-A287 VanDerWaalsContact C-N 3.29Å; V285-A287 PolarHBondContact O-N 3.06Å; A287-V298 HydrophobicContact CB-CG1 4.13Å; A287-V298 HydrophobicContact CB-CG2 4.45Å; A287-L301 HydrophobicContact CB-CD2 3.84Å |
| 288 | Q | 86 | Confident | 86.2 | Confident | 106 Ų | 106 | 89.2 Ų | 89.2 | 50% | 0.495 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -69.5 | -36.9 | 175.6 | -70.6 | 171.4 | 6.7 | 0 | 0 | 112.3 | E284 V285 M302 | E284-Q288 WeakPolarHBondContact O-CG 3.35Å; E284-Q288 PolarHBondContact O-N 3.3Å; E284-Q288 PolarHBondContact OE1-NE2 3.38Å; V285-Q288 PolarHBondContact O-N 3.34Å; Q288-M302 HydrophobicContact CG-CE 4.38Å |
| 289 | E | 85.6 | Confident | 85.9 | Confident | 135 Ų | 135 | 94.5 Ų | 94.5 | 63% | 0.631 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -72.7 | -34.7 | 179.9 | -72.1 | 178 | 171.8 | 0 | 0 | 113.4 | V285 L286 | V285-E289 HydrophobicContact CG1-CG 4.46Å; V285-E289 WeakPolarHBondContact O-CG 3.32Å; V285-E289 PolarHBondContact O-N 3.3Å; L286-E289 PolarHBondContact O-N 3.39Å |
| 290 | Q | 73.2 | Confident | 85.6 | Confident | 123 Ų | 123 | 97.5 Ų | 97.5 | 58% | 0.575 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 11.5 | -174.2 | -61.7 | -66.9 | -22.1 | 0 | 0 | 114.1 | L286 Q292 | L286-Q290 WeakPolarHBondContact O-CB 3.37Å; L286-Q290 WeakPolarHBondContact O-CG 3.5Å; L286-Q290 PolarHBondContact O-N 3.48Å; L286-Q290 VanDerWaalsContact O-N 3.13Å; Q290-Q292 PolarHBondContact O-N 3.23Å |
| 291 | G | 62.9 | Low | 85.4 | Confident | 29 Ų | 29 | 94.7 Ų | 94.7 | 30% | 0.299 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -9.6 | -163.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 292 | Q | 65.8 | Low | 85.1 | Confident | 193 Ų | 193 | 91.3 Ų | 91.3 | 90% | 0.902 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -29.4 | -175.9 | -90.7 | 155 | -45.9 | 0 | 0 | 115.1 | Q290 | Q290-Q292 PolarHBondContact O-N 3.23Š|
| 293 | E | 70.5 | Confident | 84.9 | Confident | 176 Ų | 176 | 92.9 Ų | 92.9 | 82% | 0.822 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -14.2 | -178.1 | -65.1 | -170.3 | 167.7 | 0 | 0 | 112.9 | ||
| 294 | S | 81.5 | Confident | 84.9 | Confident | 65 Ų | 65 | 96 Ų | 96 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -144.8 | 40.5 | -174.6 | -70.2 | 0 | 0 | 0 | 0 | 113.6 | Q296 F297 V298 | S294-Q296 PolarHBondContact O-N 3.03Å; S294-F297 WeakPolarHBondContact O-CB 3.47Å; S294-F297 PolarHBondContact O-N 3.44Å; S294-V298 PolarHBondContact O-N 2.93Å |
| 295 | A | 83.8 | Confident | 84.8 | Confident | 57 Ų | 57 | 97.2 Ų | 97.2 | 47% | 0.471 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -50.6 | -46.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F297 V298 E299 | A295-F297 VanDerWaalsContact C-N 3.27Å; A295-F297 PolarHBondContact O-N 3.03Å; A295-V298 PolarHBondContact O-N 3.47Å; A295-E299 WeakPolarHBondContact O-CB 3.38Å; A295-E299 PolarHBondContact O-N 3.27Å |
| 296 | Q | 86.7 | Confident | 84.7 | Confident | 157 Ų | 157 | 101.3 Ų | 101.3 | 73% | 0.734 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.9 | -25.4 | 179.7 | -66.5 | -179.6 | -0.1 | 0 | 0 | 113.8 | S294 R300 | S294-Q296 PolarHBondContact O-N 3.03Å; Q296-R300 PolarHBondContact O-NE 3.47Å |
| 297 | F | 87 | Confident | 84.7 | Confident | 124 Ų | 124 | 100 Ų | 100 | 54% | 0.544 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -81.1 | -43.3 | 175.3 | 174.3 | -103.9 | 0 | 0 | 0 | 110.6 | S294 A295 E299 R300 L301 | S294-F297 WeakPolarHBondContact O-CB 3.47Å; S294-F297 PolarHBondContact O-N 3.44Å; A295-F297 VanDerWaalsContact C-N 3.27Å; A295-F297 PolarHBondContact O-N 3.03Å; F297-E299 VanDerWaalsContact C-N 3.32Å; F297-E299 PolarHBondContact O-N 3.36Å; F297-R300 PolarHBondContact O-N 2.98Å; F297-L301 HydrophobicContact CE1-CD1 4.18Å; F297-L301 HydrophobicContact CZ-CD1 4.23Å; F297-L301 WeakPolarHBondContact O-CB 3.45Å; F297-L301 PolarHBondContact O-N 3.22Å |
| 298 | V | 90.1 | Very high | 84.2 | Confident | 25 Ų | 25 | 103.5 Ų | 103.5 | 15% | 0.152 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 175.4 | 170.2 | 0 | 0 | 0 | 0 | 111 | A287 S294 A295 R300 L301 M302 | A287-V298 HydrophobicContact CB-CG1 4.13Å; A287-V298 HydrophobicContact CB-CG2 4.45Å; S294-V298 PolarHBondContact O-N 2.93Å; A295-V298 PolarHBondContact O-N 3.47Å; V298-R300 PolarHBondContact O-N 3.1Å; V298-L301 PolarHBondContact O-N 3.06Å; V298-L301 VanDerWaalsContact O-N 3.16Å; V298-M302 HydrophobicContact CG1-CG 4.21Å; V298-M302 VanDerWaalsContact O-CG 3.24Å; V298-M302 WeakPolarHBondContact O-CG 3.34Å; V298-M302 PolarHBondContact O-N 2.99Å |
| 299 | E | 89.6 | Confident | 83.1 | Confident | 139 Ų | 139 | 104.6 Ų | 104.6 | 65% | 0.65 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.6 | -48.5 | 177.9 | -172.4 | 173.9 | -160.9 | 0 | 0 | 112.4 | A295 F297 L301 M302 E303 | A295-E299 WeakPolarHBondContact O-CB 3.38Å; A295-E299 PolarHBondContact O-N 3.27Å; F297-E299 VanDerWaalsContact C-N 3.32Å; F297-E299 PolarHBondContact O-N 3.36Å; E299-L301 VanDerWaalsContact C-N 3.3Å; E299-L301 PolarHBondContact O-N 3.04Å; E299-M302 PolarHBondContact O-N 2.92Å; E299-E303 PolarHBondContact O-N 2.96Å |
| 300 | R | 90.8 | Very high | 81.7 | Confident | 156 Ų | 156 | 107.3 Ų | 107.3 | 59% | 0.589 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.4 | -35.3 | 175.3 | -74.3 | -170.7 | -74.2 | 174.9 | -3 | 112.9 | Q296 F297 V298 E303 I304 | Q296-R300 PolarHBondContact O-NE 3.47Å; F297-R300 PolarHBondContact O-N 2.98Å; V298-R300 PolarHBondContact O-N 3.1Å; R300-E303 PolarHBondContact O-N 3.14Å; R300-I304 WeakPolarHBondContact O-CG1 3.36Å; R300-I304 PolarHBondContact O-N 3.37Å |
| 301 | L | 91.6 | Very high | 80.8 | Confident | 37 Ų | 37 | 110 Ų | 110 | 19% | 0.194 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -68.8 | -40.4 | 177.1 | -176.8 | 143.5 | 0 | 0 | 0 | 111.3 | V283 A287 F297 V298 E299 I304 L305 | V283-L301 HydrophobicContact CG1-CD1 4.04Å; V283-L301 HydrophobicContact CG1-CD2 3.99Å; V283-L301 HydrophobicContact CG1-CG 4.49Å; A287-L301 HydrophobicContact CB-CD2 3.84Å; F297-L301 HydrophobicContact CE1-CD1 4.18Å; F297-L301 HydrophobicContact CZ-CD1 4.23Å; F297-L301 WeakPolarHBondContact O-CB 3.45Å; F297-L301 PolarHBondContact O-N 3.22Å; V298-L301 PolarHBondContact O-N 3.06Å; V298-L301 VanDerWaalsContact O-N 3.16Å; E299-L301 VanDerWaalsContact C-N 3.3Å; E299-L301 PolarHBondContact O-N 3.04Å; L301-I304 PolarHBondContact O-N 2.86Å; L301-L305 HydrophobicContact CD2-CD1 3.66Å; L301-L305 HydrophobicContact CD2-CG 4.27Å; L301-L305 WeakPolarHBondContact O-CG 3.31Å; L301-L305 PolarHBondContact O-N 3.26Å |
| 302 | M | 89.5 | Confident | 80.2 | Confident | 44 Ų | 44 | 116.9 Ų | 116.9 | 22% | 0.217 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -65.8 | -39 | 174.8 | -64.1 | -63.6 | -87.2 | 0 | 0 | 111.2 | E284 Q288 V298 E299 I304 L305 Y306 | E284-M302 HydrophobicContact CG-CE 4.29Å; E284-M302 HydrophobicContact CG-SD 4.23Å; Q288-M302 HydrophobicContact CG-CE 4.38Å; V298-M302 HydrophobicContact CG1-CG 4.21Å; V298-M302 VanDerWaalsContact O-CG 3.24Å; V298-M302 WeakPolarHBondContact O-CG 3.34Å; V298-M302 PolarHBondContact O-N 2.99Å; E299-M302 PolarHBondContact O-N 2.92Å; M302-I304 VanDerWaalsContact C-N 3.3Å; M302-I304 PolarHBondContact O-N 3.49Å; M302-L305 PolarHBondContact O-N 3.38Å; M302-L305 HydrophobicContact SD-CD1 4.34Å; M302-Y306 HydrophobicContact CB-CD2 4.48Å; M302-Y306 HydrophobicContact CE-CE2 3.61Å; M302-Y306 WeakPolarHBondContact O-CD2 3.27Å; M302-Y306 PolarHBondContact O-N 2.98Å; M302-Y306 HydrophobicContact SD-CE2 4.22Å |
| 303 | E | 92.2 | Very high | 79.1 | Confident | 140 Ų | 140 | 111.2 Ų | 111.2 | 65% | 0.654 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -57.9 | -41.3 | 173.8 | -171.8 | 178.6 | -167.4 | 0 | 0 | 112 | E299 R300 S307 | E299-E303 PolarHBondContact O-N 2.96Å; R300-E303 PolarHBondContact O-N 3.14Å; E303-S307 WeakPolarHBondContact O-CA 3.4Å; E303-S307 WeakPolarHBondContact O-CB 3.26Å; E303-S307 PolarHBondContact O-N 3.18Å |
| 304 | I | 91.8 | Very high | 77.8 | Confident | 125 Ų | 125 | 107.9 Ų | 107.9 | 64% | 0.641 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.3 | -40.4 | 175.5 | -65.7 | 165 | 0 | 0 | 0 | 111.8 | R300 L301 M302 Y306 S307 | R300-I304 WeakPolarHBondContact O-CG1 3.36Å; R300-I304 PolarHBondContact O-N 3.37Å; L301-I304 PolarHBondContact O-N 2.86Å; M302-I304 VanDerWaalsContact C-N 3.3Å; M302-I304 PolarHBondContact O-N 3.49Å; I304-Y306 VanDerWaalsContact C-N 3.3Å; I304-Y306 PolarHBondContact O-N 3.42Å; I304-S307 PolarHBondContact O-OG 3Å; I304-S307 VanDerWaalsContact O-OG 3.05Å |
| 305 | L | 90.9 | Very high | 76 | Confident | 49 Ų | 49 | 108.3 Ų | 108.3 | 26% | 0.257 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.9 | -28.4 | -178.8 | -72.5 | 178.9 | 0 | 0 | 0 | 113.2 | L280 E284 L301 M302 | L280-L305 HydrophobicContact CB-CD2 4.16Å; L280-L305 HydrophobicContact CD2-CD2 3.62Å; L280-L305 HydrophobicContact CG-CD2 4.38Å; E284-L305 HydrophobicContact CB-CD1 3.97Å; E284-L305 HydrophobicContact CG-CD1 4.24Å; L301-L305 HydrophobicContact CD2-CD1 3.66Å; L301-L305 HydrophobicContact CD2-CG 4.27Å; L301-L305 WeakPolarHBondContact O-CG 3.31Å; L301-L305 PolarHBondContact O-N 3.26Å; M302-L305 PolarHBondContact O-N 3.38Å; M302-L305 HydrophobicContact SD-CD1 4.34Å |
| 306 | Y | 90.3 | Very high | 74.2 | Confident | 136 Ų | 136 | 114.4 Ų | 114.4 | 53% | 0.533 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -111.6 | 6.7 | -179.2 | -63.2 | -71.8 | 0 | 0 | 0 | 113.7 | E284 M302 I304 A308 | E284-Y306 VanDerWaalsContact CD-OH 3.26Å; E284-Y306 PolarHBondContact OE1-OH 2.8Å; M302-Y306 HydrophobicContact CB-CD2 4.48Å; M302-Y306 HydrophobicContact CE-CE2 3.61Å; M302-Y306 WeakPolarHBondContact O-CD2 3.27Å; M302-Y306 PolarHBondContact O-N 2.98Å; M302-Y306 HydrophobicContact SD-CE2 4.22Å; I304-Y306 VanDerWaalsContact C-N 3.3Å; I304-Y306 PolarHBondContact O-N 3.42Å; Y306-A308 PolarHBondContact O-N 2.94Å |
| 307 | S | 90.7 | Very high | 72 | Confident | 72 Ų | 72 | 110.1 Ų | 110.1 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | trans | -61.7 | 114.1 | 171.4 | 59.7 | 0 | 0 | 0 | 0 | 107.4 | E303 I304 D309 | E303-S307 WeakPolarHBondContact O-CA 3.4Å; E303-S307 WeakPolarHBondContact O-CB 3.26Å; E303-S307 PolarHBondContact O-N 3.18Å; I304-S307 PolarHBondContact O-OG 3Å; I304-S307 VanDerWaalsContact O-OG 3.05Å; S307-D309 PolarHBondContact O-N 3.44Å | ||
| 308 | A | 77.4 | Confident | 69.7 | Low | 85 Ų | 85 | 112.8 Ų | 112.8 | 70% | 0.702 | 63% | 0.625 | S | S | * | * | trans | -64.7 | 121.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | Y306 E310 | Y306-A308 PolarHBondContact O-N 2.94Å; A308-E310 VanDerWaalsContact C-N 3.34Å; A308-E310 PolarHBondContact O-N 3.36Å | ||
| 309 | D | 63.2 | Low | 67.2 | Low | 130 Ų | 130 | 119.3 Ų | 119.3 | 70% | 0.695 | 66% | 0.659 | S | S | * | * | trans | -66.2 | 98.8 | 165.8 | -90.2 | -31.7 | 0 | 0 | 0 | 107.3 | S307 Q311 | S307-D309 PolarHBondContact O-N 3.44Å; D309-Q311 PolarHBondContact O-N 3Å | ||
| 310 | E | 55.8 | Low | 64.9 | Low | 192 Ų | 192 | 118.2 Ų | 118.2 | 90% | 0.897 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 5.9 | 173.6 | -66.9 | -171.1 | 157.6 | 0 | 0 | 112.9 | A308 | A308-E310 VanDerWaalsContact C-N 3.34Å; A308-E310 PolarHBondContact O-N 3.36Å |
| 311 | Q | 54.1 | Low | 62.4 | Low | 179 Ų | 179 | 117.4 Ų | 117.4 | 84% | 0.836 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -3.7 | -175.9 | -156.2 | 72.1 | 51.5 | 0 | 0 | 114 | D309 | D309-Q311 PolarHBondContact O-N 3Š|
| 312 | E | 50.2 | Low | 60 | Low | 173 Ų | 173 | 120.9 Ų | 120.9 | 81% | 0.808 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -102.2 | 6.1 | 178.7 | -76.4 | -167.2 | 153.6 | 0 | 0 | 114.9 | A314 | E312-A314 PolarHBondContact O-N 3.44Š|
| 313 | G | 43.2 | Very low | 57.2 | Low | 75 Ų | 75 | 121.5 Ų | 121.5 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | trans | -91.6 | 16.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 314 | A | 43.6 | Very low | 54.6 | Low | 106 Ų | 106 | 121.5 Ų | 121.5 | 88% | 0.876 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -125.4 | 59.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E312 | E312-A314 PolarHBondContact O-N 3.44Š|
| 315 | G | 44.1 | Very low | 52 | Low | 73 Ų | 73 | 124.1 Ų | 124.1 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | trans | -177 | 12.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | G317 | G315-G317 PolarHBondContact O-N 3.44Š| ||
| 316 | E | 44.8 | Very low | 49.5 | Very low | 186 Ų | 186 | 130.8 Ų | 130.8 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | trans | -71.4 | 115.8 | 168.1 | -69.1 | -168.8 | 156.6 | 0 | 0 | 108.3 | E318 | E316-E318 PolarHBondContact O-N 3.35Š| ||
| 317 | G | 42.2 | Very low | 47.2 | Very low | 67 Ų | 67 | 132.9 Ų | 132.9 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | -59 | 123.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | G315 D319 | G315-G317 PolarHBondContact O-N 3.44Å; G317-D319 PolarHBondContact O-N 3.42Å | ||
| 318 | E | 37 | Very low | 44.7 | Very low | 180 Ų | 180 | 138.5 Ų | 138.5 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | -65.7 | 93.5 | 153.9 | -75.2 | -177.7 | 146.4 | 0 | 0 | 107.4 | E316 V320 | E316-E318 PolarHBondContact O-N 3.35Å; E318-V320 HydrophobicContact CB-CG2 4.2Å; E318-V320 PolarHBondContact O-N 2.87Å | ||
| 319 | D | 38.8 | Very low | 43 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -61.2 | 92.4 | 150.8 | -80.4 | -47 | 0 | 0 | 0 | 106.9 | G317 D321 | G317-D319 PolarHBondContact O-N 3.42Å; D319-D321 PolarHBondContact O-N 2.9Å | ||
| 320 | V | 40.1 | Very low | 42.2 | Very low | 117 Ų | 117 | 140 Ų | 140 | 71% | 0.709 | 80% | 0.8 | S | S | * | * | trans | -71.3 | 95 | 171.3 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | E318 P322 | E318-V320 HydrophobicContact CB-CG2 4.2Å; E318-V320 PolarHBondContact O-N 2.87Å; V320-P322 WeakPolarHBondContact O-CD 3.31Å | ||
| 321 | D | 39.2 | Very low | 41.3 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | -65 | 116.8 | 161.5 | -175.6 | 35.7 | 0 | 0 | 0 | 108.8 | D319 G323 | D319-D321 PolarHBondContact O-N 2.9Å; D321-G323 PolarHBondContact O-N 2.8Å; D321-G323 VanDerWaalsContact O-N 3.08Å | ||
| 322 | P | 40 | Very low | 40.9 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | trans | -74.9 | 104.7 | 175.2 | 29.1 | -28.4 | 0 | 0 | 0 | 108.7 | V320 | V320-P322 WeakPolarHBondContact O-CD 3.31Š| ||
| 323 | G | 32.3 | Very low | 40.7 | Very low | 57 Ų | 57 | 135 Ų | 135 | 59% | 0.588 | 79% | 0.786 | S | S | * | * | trans | -48.9 | 135.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | D321 H325 | D321-G323 PolarHBondContact O-N 2.8Å; D321-G323 VanDerWaalsContact O-N 3.08Å; G323-H325 PolarHBondContact O-N 3.15Å | ||
| 324 | V | 36.7 | Very low | 40.6 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | -77.9 | 105.4 | 157 | 179 | 0 | 0 | 0 | 0 | 106.9 | E326 | V324-E326 PolarHBondContact O-N 3.06Š| ||
| 325 | H | 36.9 | Very low | 40.4 | Very low | 180 Ų | 180 | 139.7 Ų | 139.7 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | trans | -64.5 | 109.1 | 168.4 | -85.8 | -90.2 | 0 | 0 | 0 | 109.7 | G323 E327 | G323-H325 PolarHBondContact O-N 3.15Å; H325-E327 PolarHBondContact O-N 3Å | ||
| 326 | E | 39.6 | Very low | 40.5 | Very low | 189 Ų | 189 | 142.7 Ų | 142.7 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -78.7 | 107.1 | 154 | -80.2 | -175.7 | 156 | 0 | 0 | 107.7 | V324 E328 | V324-E326 PolarHBondContact O-N 3.06Å; E326-E328 PolarHBondContact O-N 3.19Å | ||
| 327 | E | 42.3 | Very low | 40.4 | Very low | 180 Ų | 180 | 146.8 Ų | 146.8 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | -79.9 | 103 | 172.8 | -138.9 | 179.8 | -179.3 | 0 | 0 | 108.1 | H325 V329 | H325-E327 PolarHBondContact O-N 3Å; E327-V329 PolarHBondContact O-N 3.04Å | ||
| 328 | E | 37.7 | Very low | 40.3 | Very low | 189 Ų | 189 | 150.8 Ų | 150.8 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -67.1 | 114.2 | 165.5 | -83.1 | -172.6 | 148.9 | 0 | 0 | 109.2 | E326 | E326-E328 PolarHBondContact O-N 3.19Š| ||
| 329 | V | 41.5 | Very low | 40.5 | Very low | 130 Ų | 130 | 149.2 Ų | 149.2 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | trans | -78.2 | 125.1 | 172.8 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | E327 | E327-V329 PolarHBondContact O-N 3.04Š| ||
| 330 | P | 45.3 | Very low | 40.5 | Very low | 116 Ų | 116 | 148.6 Ų | 148.6 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -74.7 | 129.7 | 175.1 | -9.3 | 25.3 | 0 | 0 | 0 | 111.2 | D332 | P330-D332 PolarHBondContact O-N 3.44Š| ||
| 331 | D | 37.3 | Very low | 40.6 | Very low | 138 Ų | 138 | 150.4 Ų | 150.4 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | -75 | 102.7 | 171.1 | -171 | 27.8 | 0 | 0 | 0 | 109.1 | ||||
| 332 | D | 46.9 | Very low | 40.7 | Very low | 163 Ų | 163 | 151.2 Ų | 151.2 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | trans | -107.2 | 117.6 | 165 | -113.2 | -21.4 | 0 | 0 | 0 | 109 | P330 | P330-D332 PolarHBondContact O-N 3.44Š| ||
| 333 | Q | 45.1 | Very low | 40.7 | Very low | 138 Ų | 138 | 153.9 Ų | 153.9 | 65% | 0.645 | 79% | 0.785 | S | S | * | * | trans | -73.7 | 145.7 | -178.7 | -77.6 | 166.3 | 28.7 | 0 | 0 | 112.3 | ||||
| 334 | Q | 40.9 | Very low | 41.3 | Very low | 145 Ų | 145 | 160.8 Ų | 160.8 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | 89.5 | 138.5 | 137.6 | -85.2 | 164.5 | 51.4 | 0 | 0 | 120.5 | ||||
| 335 | D | 40.4 | Very low | 41.7 | Very low | 135 Ų | 135 | 162.4 Ų | 162.4 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | 83.1 | 136 | 152.7 | -57.9 | -18.2 | 0 | 0 | 0 | 117.8 | ||||
| 336 | E | 45.7 | Very low | 42 | Very low | 137 Ų | 137 | 160.9 Ų | 160.9 | 64% | 0.64 | 79% | 0.792 | S | S | * | * | cis | -175.5 | 157.6 | -2.4 | -172.9 | -175.6 | 172.7 | 0 | 0 | 105.6 | ||||
| 337 | Y | 42 | Very low | 42.3 | Very low | 271 Ų | 271 | 158.4 Ų | 158.4 | 100% | 1.063 | 78% | 0.784 | S | S | * | * | trans | 92.6 | 0 | 170.4 | -67.8 | -77.3 | 0 | 0 | 0 | 120.5 |
Retrieved 337 of 337 residues in 597.4 ms
(Link to these results)