| 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 | 54.2 | Low | 61.2 | Low | 218 Ų | 218 | 129.8 Ų | 129.8 | 100% | 1.074 | 67% | 0.667 | S | S | * | * | 0 | 120.6 | 0 | -71 | 152.7 | 74.3 | 0 | 0 | 106.9 | |||||
| 2 | S | 59.2 | Low | 59.9 | Low | 60 Ų | 60 | 123.2 Ų | 123.2 | 42% | 0.42 | 66% | 0.655 | S | S | . | * | trans | -80.1 | 152.8 | -175.6 | 174.3 | 0 | 0 | 0 | 0 | 110.1 | L4 D5 | S2-L4 PolarHBondContact O-N 3.06Å; S2-L4 VanDerWaalsContact O-N 3.09Å; S2-L4 PolarHBondContact OG-N 3.19Å; S2-D5 WeakPolarHBondContact O-CB 3.36Å; S2-D5 PolarHBondContact O-N 3.36Å | ||
| 3 | C | 66.9 | Low | 58.9 | Low | 100 Ų | 100 | 123.5 Ų | 123.5 | 68% | 0.676 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -56.7 | -24.1 | 174.6 | 54.8 | 0 | 0 | 0 | 0 | 112.9 | M7 | C3-M7 PolarHBondContact O-N 3.33Å |
| 4 | L | 68.1 | Low | 57.9 | Low | 111 Ų | 111 | 126.6 Ų | 126.6 | 58% | 0.581 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -66.7 | -36.8 | 172.1 | -74.2 | 175 | 0 | 0 | 0 | 112.8 | S2 V6 M7 Y8 | S2-L4 PolarHBondContact O-N 3.06Å; S2-L4 VanDerWaalsContact O-N 3.09Å; S2-L4 PolarHBondContact OG-N 3.19Å; L4-V6 VanDerWaalsContact C-N 3.31Å; L4-V6 PolarHBondContact O-N 3.49Å; L4-M7 PolarHBondContact O-N 3.17Å; L4-Y8 HydrophobicContact CD2-CE2 4.26Å; L4-Y8 WeakPolarHBondContact O-CB 3.43Å; L4-Y8 WeakPolarHBondContact O-CD2 3.44Å; L4-Y8 PolarHBondContact O-N 3.03Å |
| 5 | D | 67.8 | Low | 57.6 | Low | 97 Ų | 97 | 125.1 Ų | 125.1 | 52% | 0.519 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -63.3 | -38.9 | 178.1 | -82.6 | -59.6 | 0 | 0 | 0 | 111.6 | S2 Q9 | S2-D5 WeakPolarHBondContact O-CB 3.36Å; S2-D5 PolarHBondContact O-N 3.36Å; D5-Q9 WeakPolarHBondContact O-CB 3.33Å; D5-Q9 PolarHBondContact O-N 3.1Å |
| 6 | V | 72.4 | Confident | 56.7 | Low | 92 Ų | 92 | 129.1 Ų | 129.1 | 56% | 0.558 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -70.1 | -39.8 | -178.4 | -179.7 | 0 | 0 | 0 | 0 | 111.5 | L4 | L4-V6 VanDerWaalsContact C-N 3.31Å; L4-V6 PolarHBondContact O-N 3.49Å |
| 7 | M | 70.8 | Confident | 55.4 | Low | 128 Ų | 128 | 133.1 Ų | 133.1 | 63% | 0.631 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -73.9 | -35.8 | 179.5 | -69.8 | -66.8 | -67.7 | 0 | 0 | 112.5 | C3 L4 | C3-M7 PolarHBondContact O-N 3.33Å; L4-M7 PolarHBondContact O-N 3.17Å |
| 8 | Y | 57.8 | Low | 54.2 | Low | 179 Ų | 179 | 131.7 Ų | 131.7 | 70% | 0.702 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -75 | -24.8 | 178.9 | -90.9 | -92.3 | 0 | 0 | 0 | 113.2 | L4 F11 | L4-Y8 HydrophobicContact CD2-CE2 4.26Å; L4-Y8 WeakPolarHBondContact O-CB 3.43Å; L4-Y8 WeakPolarHBondContact O-CD2 3.44Å; L4-Y8 PolarHBondContact O-N 3.03Å; Y8-F11 PolarHBondContact O-N 3.35Å |
| 9 | Q | 57 | Low | 53.2 | Low | 161 Ų | 161 | 130.1 Ų | 130.1 | 75% | 0.752 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -77 | -21.1 | 178.8 | -159.2 | 153.7 | 42 | 0 | 0 | 113.5 | D5 F11 | D5-Q9 WeakPolarHBondContact O-CB 3.33Å; D5-Q9 PolarHBondContact O-N 3.1Å; Q9-F11 VanDerWaalsContact C-N 3.26Å; Q9-F11 PolarHBondContact O-N 3.43Å |
| 10 | V | 51.8 | Low | 52.5 | Low | 114 Ų | 114 | 134.9 Ų | 134.9 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -22.3 | 171.4 | 165.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 11 | F | 47.5 | Very low | 51.6 | Low | 168 Ų | 168 | 133.5 Ų | 133.5 | 74% | 0.737 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 46.7 | 178.6 | -73.9 | -81.5 | 0 | 0 | 0 | 112.4 | Y8 Q9 | Y8-F11 PolarHBondContact O-N 3.35Å; Q9-F11 VanDerWaalsContact C-N 3.26Å; Q9-F11 PolarHBondContact O-N 3.43Å |
| 12 | G | 45.2 | Very low | 51.4 | Low | 50 Ų | 50 | 127.7 Ų | 127.7 | 52% | 0.515 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -61 | 148.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 13 | P | 47.6 | Very low | 50.7 | Low | 127 Ų | 127 | 135.3 Ų | 135.3 | 83% | 0.825 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -76 | 124.5 | -161 | 29.9 | -33.5 | 0 | 0 | 0 | 112.8 | ||
| 14 | Q | 43.8 | Very low | 49.5 | Very low | 168 Ų | 168 | 139 Ų | 139 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -85 | 123.1 | 165.9 | -81.4 | -69.1 | -15.9 | 0 | 0 | 109.9 | Y16 | Q14-Y16 PolarHBondContact O-N 3.41Š|
| 15 | P | 53.2 | Low | 48.4 | Very low | 103 Ų | 103 | 142.7 Ų | 142.7 | 67% | 0.669 | 73% | 0.727 | S | S | * | * | trans | -95.7 | 81.7 | -177.5 | 36.2 | -29.2 | 0 | 0 | 0 | 109.8 | ||||
| 16 | Y | 43.2 | Very low | 47.2 | Very low | 189 Ų | 189 | 146.2 Ų | 146.2 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | trans | -143.9 | 111.6 | 168.2 | -89.6 | -76.4 | 0 | 0 | 0 | 112.4 | Q14 | Q14-Y16 PolarHBondContact O-N 3.41Š| ||
| 17 | F | 35.5 | Very low | 46.1 | Very low | 197 Ų | 197 | 150.5 Ų | 150.5 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | trans | 83.9 | 124.4 | 163.9 | -62.1 | -76.8 | 0 | 0 | 0 | 120.1 | ||||
| 18 | S | 34.2 | Very low | 45.1 | Very low | 109 Ų | 109 | 151.7 Ų | 151.7 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | -83.1 | 145.3 | -178.7 | -179.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 19 | S | 34.1 | Very low | 44.7 | Very low | 100 Ų | 100 | 147.9 Ų | 147.9 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | 162 | 127.9 | 118.1 | -73 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 20 | Y | 39.3 | Very low | 44.2 | Very low | 227 Ų | 227 | 147.7 Ų | 147.7 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | trans | 50.1 | 107.6 | 144.3 | -88.2 | -98.8 | 0 | 0 | 0 | 120.7 | ||||
| 21 | S | 33.4 | Very low | 43.5 | Very low | 106 Ų | 106 | 153 Ų | 153 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | 170.8 | 136.1 | 95.5 | -171.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 22 | P | 50.5 | Low | 43.6 | Very low | 96 Ų | 96 | 151 Ų | 151 | 62% | 0.623 | 78% | 0.778 | S | S | * | * | trans | -83.7 | 170.5 | 170.1 | 35.1 | -29.7 | 0 | 0 | 0 | 110.9 | ||||
| 23 | Y | 44.5 | Very low | 43.1 | Very low | 220 Ų | 220 | 155.7 Ų | 155.7 | 86% | 0.863 | 78% | 0.784 | S | S | * | * | trans | 96.9 | 94.9 | 175.8 | -68.4 | -88.1 | 0 | 0 | 0 | 117.5 | ||||
| 24 | H | 42.1 | Very low | 43.2 | Very low | 176 Ų | 176 | 159.1 Ų | 159.1 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | -162.3 | 81.3 | 120.1 | -138.1 | -92.8 | 0 | 0 | 0 | 111.8 | |||||
| 25 | H | 45.7 | Very low | 42.9 | Very low | 190 Ų | 190 | 158.2 Ų | 158.2 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | trans | -90.9 | 104.7 | 157.7 | -89 | -103.1 | 0 | 0 | 0 | 108.2 | ||||
| 26 | Q | 42.3 | Very low | 42 | Very low | 171 Ų | 171 | 160.4 Ų | 160.4 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -169.2 | 136.1 | 149.2 | -127.7 | 170.5 | -9.2 | 0 | 0 | 112.2 | ||||
| 27 | K | 49.5 | Very low | 42.2 | Very low | 181 Ų | 181 | 156.1 Ų | 156.1 | 79% | 0.787 | 79% | 0.789 | S | S | * | * | trans | 72 | 97.8 | 166.6 | -120.5 | 170.1 | 177 | 179.4 | 0 | 112.7 | ||||
| 28 | L | 48.4 | Very low | 42.3 | Very low | 153 Ų | 153 | 155.9 Ų | 155.9 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | -155.6 | 91.7 | 78.4 | -80.1 | 151.2 | 0 | 0 | 0 | 109.8 | |||||
| 29 | A | 48.9 | Very low | 42.5 | Very low | 99 Ų | 99 | 159 Ų | 159 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -89.6 | 86 | 151.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 30 | F | 48.1 | Very low | 42.8 | Very low | 158 Ų | 158 | 163 Ų | 163 | 69% | 0.693 | 81% | 0.805 | S | S | * | * | trans | -141.5 | 129.3 | 168.8 | -95.3 | -84.3 | 0 | 0 | 0 | 108.4 | ||||
| 31 | Y | 37.2 | Very low | 42.7 | Very low | 225 Ų | 225 | 156.7 Ų | 156.7 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | 89.5 | 59.3 | -174.8 | -64.7 | -86.7 | 0 | 0 | 0 | 116.5 | ||||
| 32 | S | 47.9 | Very low | 43 | Very low | 127 Ų | 127 | 156.6 Ų | 156.6 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -108.6 | 94.7 | 142.9 | 176.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 33 | K | 34.7 | Very low | 42.5 | Very low | 148 Ų | 148 | 164 Ų | 164 | 64% | 0.643 | 81% | 0.809 | S | S | * | * | trans | -146.3 | 90.3 | 162 | -165.9 | 178.4 | 177.9 | 179.1 | 0 | 109 | E35 | K33-E35 HydrophobicContact CD-CB 4.43Å; K33-E35 VanDerWaalsContact CE-CB 3.45Å; K33-E35 WeakPolarHBondContact CE-OE1 3.31Å; K33-E35 VanDerWaalsContact CE-OE2 3.31Å; K33-E35 WeakPolarHBondContact CE-OE2 3.12Å; K33-E35 HydrophobicContact CG-CB 4.1Å; K33-E35 IonicContact NZ-OE1 3.92Å; K33-E35 PolarHBondContact NZ-OE1 2.92Å; K33-E35 IonicContact NZ-OE2 3.78Å | ||
| 34 | M | 50.5 | Low | 42.4 | Very low | 198 Ų | 198 | 162.1 Ų | 162.1 | 98% | 0.975 | 81% | 0.814 | S | S | * | * | trans | -81.5 | 114.5 | 149.6 | -80.1 | -171.7 | -75.8 | 0 | 0 | 106.3 | ||||
| 35 | E | 36.6 | Very low | 42 | Very low | 149 Ų | 149 | 157.4 Ų | 157.4 | 70% | 0.696 | 81% | 0.812 | S | S | * | * | trans | -145.2 | 120.8 | 167 | -168.9 | 174.9 | 83.6 | 0 | 0 | 108 | K33 | K33-E35 HydrophobicContact CD-CB 4.43Å; K33-E35 VanDerWaalsContact CE-CB 3.45Å; K33-E35 WeakPolarHBondContact CE-OE1 3.31Å; K33-E35 VanDerWaalsContact CE-OE2 3.31Å; K33-E35 WeakPolarHBondContact CE-OE2 3.12Å; K33-E35 HydrophobicContact CG-CB 4.1Å; K33-E35 IonicContact NZ-OE1 3.92Å; K33-E35 PolarHBondContact NZ-OE1 2.92Å; K33-E35 IonicContact NZ-OE2 3.78Å | ||
| 36 | N | 34.3 | Very low | 42.5 | Very low | 149 Ų | 149 | 154.6 Ų | 154.6 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -96.1 | -167.6 | -175.8 | -159.3 | 6.1 | 0 | 0 | 0 | 109.3 | ||||
| 37 | P | 49.4 | Very low | 42.1 | Very low | 100 Ų | 100 | 152.2 Ų | 152.2 | 65% | 0.649 | 81% | 0.813 | S | S | * | * | -105.7 | 152.2 | -113.9 | 35.7 | -18.5 | 0 | 0 | 0 | 114.2 | |||||
| 38 | Q | 37.4 | Very low | 41.4 | Very low | 191 Ų | 191 | 147 Ų | 147 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -160.7 | 118 | 157.7 | -116 | -177.1 | -58.9 | 0 | 0 | 113.6 | ||||
| 39 | E | 36.8 | Very low | 41.5 | Very low | 176 Ų | 176 | 145.7 Ų | 145.7 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | 26.7 | 118.1 | 135.9 | -69.8 | -110.3 | 124.7 | 0 | 0 | 119.5 | ||||
| 40 | L | 41.4 | Very low | 41.1 | Very low | 182 Ų | 182 | 146.4 Ų | 146.4 | 95% | 0.953 | 81% | 0.808 | S | S | * | * | trans | -159.3 | 134.2 | 132.5 | -109.2 | 154 | 0 | 0 | 0 | 112.3 | ||||
| 41 | S | 37.1 | Very low | 40.7 | Very low | 96 Ų | 96 | 143.8 Ų | 143.8 | 67% | 0.671 | 82% | 0.815 | S | S | * | * | trans | -84.8 | 147.2 | -167.5 | -179.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 42 | S | 39.1 | Very low | 40.7 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | 68.4 | 128.4 | 146.5 | -59.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 43 | R | 40.2 | Very low | 40.2 | Very low | 250 Ų | 250 | 143.8 Ų | 143.8 | 94% | 0.943 | 81% | 0.81 | S | S | * | * | -168.7 | 148.7 | 114.4 | -72.1 | -137 | 177.7 | -139.4 | -4.5 | 112.2 | |||||
| 44 | L | 43.2 | Very low | 40.3 | Very low | 182 Ų | 182 | 145.6 Ų | 145.6 | 95% | 0.953 | 82% | 0.82 | S | S | * | * | trans | -78 | 156.9 | -167.9 | -63.3 | 140.5 | 0 | 0 | 0 | 114.7 | ||||
| 45 | G | 33.7 | Very low | 39.9 | Very low | 76 Ų | 76 | 144.4 Ų | 144.4 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | -73.5 | -143.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 46 | P | 56 | Low | 40.5 | Very low | 131 Ų | 131 | 143.6 Ų | 143.6 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | cis | -138.6 | 167.9 | -5.3 | 42.3 | -24.4 | 0 | 0 | 0 | 116.9 | ||||
| 47 | S | 33.3 | Very low | 41.1 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | 173.5 | 130.1 | 139.8 | 67.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 48 | G | 36.1 | Very low | 41.4 | Very low | 72 Ų | 72 | 148.3 Ų | 148.3 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | trans | -82.1 | -161.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 49 | P | 50.2 | Low | 42.4 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | -107.7 | 172.6 | -99.4 | 38.3 | -32.6 | 0 | 0 | 0 | 113.9 | |||||
| 50 | P | 39.5 | Very low | 43.7 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | -132.3 | 132 | 122.1 | 34.5 | -23.6 | 0 | 0 | 0 | 112.1 | I52 | P50-I52 WeakPolarHBondContact O-CG1 3.37Å; P50-I52 PolarHBondContact O-N 3.03Å | |||
| 51 | A | 40 | Very low | 45.4 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | 4.2 | 83.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 52 | I | 38 | Very low | 47.4 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | trans | -92 | 111.3 | 160.6 | -45.6 | 177.2 | 0 | 0 | 0 | 104 | P50 E54 | P50-I52 WeakPolarHBondContact O-CG1 3.37Å; P50-I52 PolarHBondContact O-N 3.03Å; I52-E54 PolarHBondContact O-N 3.09Å | ||
| 53 | K | 36.5 | Very low | 49.8 | Very low | 193 Ų | 193 | 131.5 Ų | 131.5 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | trans | -43 | 114.5 | 170.7 | -62.5 | 170.5 | -178.6 | 176.4 | 0 | 106.7 | E55 | K53-E55 PolarHBondContact O-N 3.47Š| ||
| 54 | E | 38.1 | Very low | 52.2 | Low | 186 Ų | 186 | 124.9 Ų | 124.9 | 87% | 0.869 | 73% | 0.733 | S | S | * | * | trans | -63.2 | 88.6 | 168 | -166.5 | 173.7 | 178.2 | 0 | 0 | 104.6 | I52 D56 | I52-E54 PolarHBondContact O-N 3.09Å; E54-D56 PolarHBondContact O-N 3Å | ||
| 55 | E | 42.1 | Very low | 54.6 | Low | 174 Ų | 174 | 124.8 Ų | 124.8 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | trans | -57.8 | 98.9 | 160.4 | -171.8 | -177.4 | 145.4 | 0 | 0 | 103.1 | K53 K57 | K53-E55 PolarHBondContact O-N 3.47Å; E55-K57 PolarHBondContact O-N 2.82Å | ||
| 56 | D | 47.4 | Very low | 57.6 | Low | 131 Ų | 131 | 126 Ų | 126 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | trans | -50.7 | 91 | 169.4 | -175.9 | -132.4 | 0 | 0 | 0 | 105.6 | E54 E58 | E54-D56 PolarHBondContact O-N 3Å; D56-E58 PolarHBondContact O-N 2.73Å | ||
| 57 | K | 47.8 | Very low | 59.4 | Low | 173 Ų | 173 | 123.2 Ų | 123.2 | 75% | 0.752 | 69% | 0.693 | S | S | * | * | trans | -72.1 | 85.8 | 179 | 180 | 176.6 | 179.3 | -175.1 | 0 | 103.2 | E55 L59 | E55-K57 PolarHBondContact O-N 2.82Å; K57-L59 VanDerWaalsContact C-N 3.27Å; K57-L59 WeakPolarHBondContact O-CA 3.32Å; K57-L59 PolarHBondContact O-N 3.35Å | ||
| 58 | E | 56.6 | Low | 62.3 | Low | 176 Ų | 176 | 123 Ų | 123 | 82% | 0.822 | 69% | 0.691 | S | S | * | * | trans | -32 | 95.7 | -179.7 | -167.2 | 167.2 | 166.4 | 0 | 0 | 107.7 | D56 | D56-E58 PolarHBondContact O-N 2.73Š| ||
| 59 | L | 56.4 | Low | 65.1 | Low | 125 Ų | 125 | 131 Ų | 131 | 65% | 0.654 | 70% | 0.699 | S | S | * | * | trans | -62.8 | 134.3 | -170.5 | -76.7 | 166.1 | 0 | 0 | 0 | 105 | K57 | K57-L59 VanDerWaalsContact C-N 3.27Å; K57-L59 WeakPolarHBondContact O-CA 3.32Å; K57-L59 PolarHBondContact O-N 3.35Å | ||
| 60 | P | 65.3 | Low | 67.3 | Low | 111 Ų | 111 | 127.7 Ų | 127.7 | 72% | 0.721 | 68% | 0.678 | S | S | * | * | trans | -47.9 | 134.7 | 178.3 | -25.5 | 32.1 | 0 | 0 | 0 | 109.1 | G62 | P60-G62 PolarHBondContact O-N 2.96Š| ||
| 61 | P | 76.1 | Confident | 70 | Confident | 58 Ų | 58 | 124.7 Ų | 124.7 | 38% | 0.377 | 66% | 0.658 | S | S | . | * | trans | -44.8 | 131.4 | 177.8 | -29.3 | 33.5 | 0 | 0 | 0 | 109.8 | A63 T74 Y75 | P61-A63 PolarHBondContact O-N 3.08Å; P61-T74 WeakPolarHBondContact CA-O 3.48Å; P61-Y75 HydrophobicContact CB-CD1 3.89Å; P61-Y75 HydrophobicContact CB-CE1 3.79Å; P61-Y75 HydrophobicContact CG-CD1 3.73Å; P61-Y75 HydrophobicContact CG-CE1 3.5Å; P61-Y75 VanDerWaalsContact CG-CE1 3.5Å | ||
| 62 | G | 79.4 | Confident | 72.6 | Confident | 45 Ų | 45 | 123.4 Ų | 123.4 | 46% | 0.464 | 64% | 0.636 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -56.6 | 108.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | P60 F73 T74 | P60-G62 PolarHBondContact O-N 2.96Å; G62-F73 WeakPolarHBondContact O-CA 3.37Å; G62-T74 PolarHBondContact N-O 2.78Å; G62-T74 VanDerWaalsContact N-O 3.11Å; G62-T74 PolarHBondContact O-N 2.92Å |
| 63 | A | 89.9 | Confident | 75.2 | Confident | 56 Ų | 56 | 120.9 Ų | 120.9 | 46% | 0.463 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.8 | 114.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | P61 L72 F73 | P61-A63 PolarHBondContact O-N 3.08Å; A63-L72 CarbonylContact C-O 3.56Å; A63-L72 WeakPolarHBondContact CA-O 3.46Å; A63-F73 HydrophobicContact CB-CD1 3.77Å; A63-F73 HydrophobicContact CB-CE1 3.68Å |
| 64 | E | 90.6 | Very high | 78 | Confident | 111 Ų | 111 | 113.6 Ų | 113.6 | 52% | 0.519 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.2 | 127.6 | -179.6 | -171.6 | -179.9 | 170.1 | 0 | 0 | 110 | L66 V71 L72 | E64-L66 HydrophobicContact CG-CD2 4.06Å; E64-V71 CarbonylContact O-C 3.54Å; E64-V71 WeakPolarHBondContact O-CA 3.18Å; E64-L72 HydrophobicContact CB-CB 4.44Å; E64-L72 PolarHBondContact N-O 3.01Å; E64-L72 PolarHBondContact O-N 2.96Å |
| 65 | Y | 94.3 | Very high | 80.6 | Confident | 181 Ų | 181 | 113.4 Ų | 113.4 | 71% | 0.71 | 58% | 0.584 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.4 | 106.7 | 176.4 | -80 | -101.9 | 0 | 0 | 0 | 109.7 | V71 | Y65-V71 HydrophobicContact CD1-CG2 3.54Å; Y65-V71 HydrophobicContact CD2-CG1 4.2Å; Y65-V71 HydrophobicContact CE1-CB 4.48Å; Y65-V71 HydrophobicContact CE1-CG1 4.41Å; Y65-V71 HydrophobicContact CE1-CG2 3.3Å; Y65-V71 HydrophobicContact CE2-CG1 4.02Å; Y65-V71 HydrophobicContact CE2-CG2 4.39Å; Y65-V71 HydrophobicContact CG-CG1 4.46Å; Y65-V71 HydrophobicContact CG-CG2 4.19Å |
| 66 | L | 95.4 | Very high | 82.9 | Confident | 101 Ų | 101 | 109 Ų | 109 | 53% | 0.529 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.4 | -33.6 | 178.4 | -57.7 | -178.6 | 0 | 0 | 0 | 112 | E64 C70 L72 | E64-L66 HydrophobicContact CG-CD2 4.06Å; L66-C70 HydrophobicContact CB-CB 4.22Å; L66-C70 PolarHBondContact N-O 3.24Å; L66-L72 HydrophobicContact CD1-CB 4.38Å |
| 67 | S | 94.7 | Very high | 85 | Confident | 72 Ų | 72 | 110.8 Ų | 110.8 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -157.9 | 172 | 178.7 | -171.6 | 0 | 0 | 0 | 0 | 111 | R69 C70 | S67-R69 PolarHBondContact O-N 2.96Å; S67-C70 PolarHBondContact N-O 2.97Å; S67-C70 PolarHBondContact O-N 3.01Å; S67-C70 VanDerWaalsContact O-O 3.1Å |
| 68 | S | 94.1 | Very high | 87 | Confident | 118 Ų | 118 | 105 Ų | 105 | 83% | 0.825 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.7 | -21.4 | 174.7 | 61.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 69 | R | 95.8 | Very high | 88.8 | Confident | 239 Ų | 239 | 102.1 Ų | 102.1 | 90% | 0.902 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | 8.2 | 179.7 | -60.5 | -177.7 | -179.2 | 163.6 | 0 | 113.7 | S67 | S67-R69 PolarHBondContact O-N 2.96Š|
| 70 | C | 94.6 | Very high | 90.6 | Very high | 56 Ų | 56 | 101.5 Ų | 101.5 | 38% | 0.378 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 117.9 | -174.4 | -170.3 | 0 | 0 | 0 | 0 | 111.2 | L66 S67 | L66-C70 HydrophobicContact CB-CB 4.22Å; L66-C70 PolarHBondContact N-O 3.24Å; S67-C70 PolarHBondContact N-O 2.97Å; S67-C70 PolarHBondContact O-N 3.01Å; S67-C70 VanDerWaalsContact O-O 3.1Å |
| 71 | V | 96 | Very high | 92.1 | Very high | 51 Ų | 51 | 100.9 Ų | 100.9 | 31% | 0.309 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.3 | 172.6 | -169.5 | 0 | 0 | 0 | 0 | 107.1 | E64 Y65 F73 | E64-V71 CarbonylContact O-C 3.54Å; E64-V71 WeakPolarHBondContact O-CA 3.18Å; Y65-V71 HydrophobicContact CD1-CG2 3.54Å; Y65-V71 HydrophobicContact CD2-CG1 4.2Å; Y65-V71 HydrophobicContact CE1-CB 4.48Å; Y65-V71 HydrophobicContact CE1-CG1 4.41Å; Y65-V71 HydrophobicContact CE1-CG2 3.3Å; Y65-V71 HydrophobicContact CE2-CG1 4.02Å; Y65-V71 HydrophobicContact CE2-CG2 4.39Å; Y65-V71 HydrophobicContact CG-CG1 4.46Å; Y65-V71 HydrophobicContact CG-CG2 4.19Å; V71-F73 HydrophobicContact CB-CE2 4.07Å; V71-F73 HydrophobicContact CB-CZ 4.43Å; V71-F73 HydrophobicContact CG1-CD2 4.36Å; V71-F73 HydrophobicContact CG1-CE1 4.29Å; V71-F73 HydrophobicContact CG1-CE2 3.74Å; V71-F73 HydrophobicContact CG1-CZ 3.7Å |
| 72 | L | 95.1 | Very high | 93.1 | Very high | 76 Ų | 76 | 102 Ų | 102 | 40% | 0.398 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 123.8 | 176.4 | 176.8 | 62.3 | 0 | 0 | 0 | 108.6 | A63 E64 L66 | A63-L72 CarbonylContact C-O 3.56Å; A63-L72 WeakPolarHBondContact CA-O 3.46Å; E64-L72 HydrophobicContact CB-CB 4.44Å; E64-L72 PolarHBondContact N-O 3.01Å; E64-L72 PolarHBondContact O-N 2.96Å; L66-L72 HydrophobicContact CD1-CB 4.38Å |
| 73 | F | 94.1 | Very high | 93.9 | Very high | 105 Ų | 105 | 102.2 Ų | 102.2 | 46% | 0.461 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 119.6 | 171.8 | -64.2 | -84.4 | 0 | 0 | 0 | 109.1 | G62 A63 V71 Y75 | G62-F73 WeakPolarHBondContact O-CA 3.37Å; A63-F73 HydrophobicContact CB-CD1 3.77Å; A63-F73 HydrophobicContact CB-CE1 3.68Å; V71-F73 HydrophobicContact CB-CE2 4.07Å; V71-F73 HydrophobicContact CB-CZ 4.43Å; V71-F73 HydrophobicContact CG1-CD2 4.36Å; V71-F73 HydrophobicContact CG1-CE1 4.29Å; V71-F73 HydrophobicContact CG1-CE2 3.74Å; V71-F73 HydrophobicContact CG1-CZ 3.7Å; F73-Y75 HydrophobicContact CB-CD2 4.42Å; F73-Y75 HydrophobicContact CB-CE2 3.62Å |
| 74 | T | 93.6 | Very high | 94.2 | Very high | 40 Ų | 40 | 102.7 Ų | 102.7 | 25% | 0.245 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 121.2 | 178.3 | -63.1 | 0 | 0 | 0 | 0 | 109.7 | P61 G62 F76 | P61-T74 WeakPolarHBondContact CA-O 3.48Å; G62-T74 PolarHBondContact N-O 2.78Å; G62-T74 VanDerWaalsContact N-O 3.11Å; G62-T74 PolarHBondContact O-N 2.92Å; T74-F76 HydrophobicContact CG2-CD1 3.71Å; T74-F76 HydrophobicContact CG2-CD2 4.33Å; T74-F76 HydrophobicContact CG2-CE1 3.4Å; T74-F76 HydrophobicContact CG2-CE2 4.05Å; T74-F76 HydrophobicContact CG2-CG 4.14Å; T74-F76 HydrophobicContact CG2-CZ 3.53Å |
| 75 | Y | 93.3 | Very high | 94.4 | Very high | 182 Ų | 182 | 102.3 Ų | 102.3 | 71% | 0.714 | 54% | 0.537 | S | S | * | . | trans | -107 | -3.9 | -176.5 | -64.9 | -86.8 | 0 | 0 | 0 | 113.7 | P61 F73 | P61-Y75 HydrophobicContact CB-CD1 3.89Å; P61-Y75 HydrophobicContact CB-CE1 3.79Å; P61-Y75 HydrophobicContact CG-CD1 3.73Å; P61-Y75 HydrophobicContact CG-CE1 3.5Å; P61-Y75 VanDerWaalsContact CG-CE1 3.5Å; F73-Y75 HydrophobicContact CB-CD2 4.42Å; F73-Y75 HydrophobicContact CB-CE2 3.62Å | ||
| 76 | F | 91.3 | Very high | 94.5 | Very high | 81 Ų | 81 | 98.6 Ų | 98.6 | 36% | 0.355 | 53% | 0.526 | S | S | . | . | trans | -97.8 | 152.2 | 172.2 | 68.4 | -94.6 | 0 | 0 | 0 | 109.3 | T74 I80 V83 | T74-F76 HydrophobicContact CG2-CD1 3.71Å; T74-F76 HydrophobicContact CG2-CD2 4.33Å; T74-F76 HydrophobicContact CG2-CE1 3.4Å; T74-F76 HydrophobicContact CG2-CE2 4.05Å; T74-F76 HydrophobicContact CG2-CG 4.14Å; T74-F76 HydrophobicContact CG2-CZ 3.53Å; F76-I80 HydrophobicContact CE1-CG1 4.43Å; F76-I80 HydrophobicContact CE2-CG1 3.71Å; F76-I80 HydrophobicContact CZ-CB 4.39Å; F76-I80 HydrophobicContact CZ-CD1 4.36Å; F76-I80 HydrophobicContact CZ-CG1 3.39Å; F76-V83 HydrophobicContact CB-CG1 4.15Å; F76-V83 HydrophobicContact CB-CG2 4.11Å; F76-V83 HydrophobicContact CD2-CB 4.46Å; F76-V83 HydrophobicContact CD2-CG2 3.79Å; F76-V83 HydrophobicContact CG-CG1 4.26Å; F76-V83 HydrophobicContact CG-CG2 4.14Å | ||
| 77 | Q | 90.5 | Very high | 94.5 | Very high | 169 Ų | 169 | 99.9 Ų | 99.9 | 79% | 0.79 | 53% | 0.529 | S | S | * | . | trans | -110.3 | 139.2 | 176.3 | -166.5 | 62 | 51.5 | 0 | 0 | 109.3 | ||||
| 78 | G | 89.3 | Confident | 94.5 | Very high | 51 Ų | 51 | 102 Ų | 102 | 53% | 0.526 | 53% | 0.529 | S | S | . | . | S | Bend | trans | 97.7 | -159.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 79 | D | 94.7 | Very high | 94.5 | Very high | 117 Ų | 117 | 99.3 Ų | 99.3 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | trans | -73.8 | 133.4 | -176 | -70 | -19.8 | 0 | 0 | 0 | 112.1 | S81 T82 V83 | D79-S81 VanDerWaalsContact C-N 3.25Å; D79-S81 PolarHBondContact O-N 2.85Å; D79-T82 HydrophobicContact CB-CG2 4.15Å; D79-T82 PolarHBondContact O-N 2.84Å; D79-T82 PolarHBondContact O-OG1 2.79Å; D79-V83 PolarHBondContact O-N 3.01Å | ||
| 80 | I | 94.8 | Very high | 94.4 | Very high | 112 Ų | 112 | 95.3 Ų | 95.3 | 57% | 0.574 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -56.9 | -42.7 | 177.5 | -64.1 | 157.9 | 0 | 0 | 0 | 110.9 | F76 T82 V83 V84 | F76-I80 HydrophobicContact CE1-CG1 4.43Å; F76-I80 HydrophobicContact CE2-CG1 3.71Å; F76-I80 HydrophobicContact CZ-CB 4.39Å; F76-I80 HydrophobicContact CZ-CD1 4.36Å; F76-I80 HydrophobicContact CZ-CG1 3.39Å; I80-T82 VanDerWaalsContact C-N 3.29Å; I80-T82 PolarHBondContact O-N 2.86Å; I80-V83 PolarHBondContact O-N 2.77Å; I80-V84 HydrophobicContact CG2-CG2 4Å; I80-V84 WeakPolarHBondContact O-CB 3.45Å; I80-V84 VanDerWaalsContact O-CG2 3.24Å; I80-V84 WeakPolarHBondContact O-CG2 3.34Å; I80-V84 PolarHBondContact O-N 2.91Å |
| 81 | S | 96.6 | Very high | 94.3 | Very high | 97 Ų | 97 | 95.2 Ų | 95.2 | 68% | 0.678 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.9 | -38.4 | -176.8 | -55.8 | 0 | 0 | 0 | 0 | 112.3 | D79 D85 | D79-S81 VanDerWaalsContact C-N 3.25Å; D79-S81 PolarHBondContact O-N 2.85Å; S81-D85 VanDerWaalsContact O-CB 3.23Å; S81-D85 WeakPolarHBondContact O-CB 3.19Å; S81-D85 PolarHBondContact O-N 2.84Å |
| 82 | T | 96.2 | Very high | 94 | Very high | 81 Ų | 81 | 98.5 Ų | 98.5 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -75.4 | -39.5 | -179.1 | 59.9 | 0 | 0 | 0 | 0 | 111.4 | D79 I80 V84 D85 E86 | D79-T82 HydrophobicContact CB-CG2 4.15Å; D79-T82 PolarHBondContact O-N 2.84Å; D79-T82 PolarHBondContact O-OG1 2.79Å; I80-T82 VanDerWaalsContact C-N 3.29Å; I80-T82 PolarHBondContact O-N 2.86Å; T82-V84 VanDerWaalsContact C-N 3.33Å; T82-V84 PolarHBondContact O-N 2.97Å; T82-D85 PolarHBondContact O-N 2.88Å; T82-E86 WeakPolarHBondContact O-CB 3.43Å; T82-E86 PolarHBondContact O-N 3.23Å |
| 83 | V | 96.2 | Very high | 93.4 | Very high | 51 Ų | 51 | 98 Ų | 98 | 31% | 0.309 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 175 | 175.4 | 0 | 0 | 0 | 0 | 111 | F76 D79 I80 H87 | F76-V83 HydrophobicContact CB-CG1 4.15Å; F76-V83 HydrophobicContact CB-CG2 4.11Å; F76-V83 HydrophobicContact CD2-CB 4.46Å; F76-V83 HydrophobicContact CD2-CG2 3.79Å; F76-V83 HydrophobicContact CG-CG1 4.26Å; F76-V83 HydrophobicContact CG-CG2 4.14Å; D79-V83 PolarHBondContact O-N 3.01Å; I80-V83 PolarHBondContact O-N 2.77Å; V83-H87 PolarHBondContact O-N 3.03Å; V83-H87 VanDerWaalsContact O-N 3.09Å |
| 84 | V | 96.5 | Very high | 92.2 | Very high | 66 Ų | 66 | 98 Ų | 98 | 40% | 0.4 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.6 | -46.9 | 175.2 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | I80 T82 E86 H87 F88 | I80-V84 HydrophobicContact CG2-CG2 4Å; I80-V84 WeakPolarHBondContact O-CB 3.45Å; I80-V84 VanDerWaalsContact O-CG2 3.24Å; I80-V84 WeakPolarHBondContact O-CG2 3.34Å; I80-V84 PolarHBondContact O-N 2.91Å; T82-V84 VanDerWaalsContact C-N 3.33Å; T82-V84 PolarHBondContact O-N 2.97Å; V84-E86 VanDerWaalsContact C-N 3.33Å; V84-E86 PolarHBondContact O-N 2.85Å; V84-H87 WeakPolarHBondContact O-CB 3.22Å; V84-H87 PolarHBondContact O-N 3.29Å; V84-H87 VanDerWaalsContact O-N 3.11Å; V84-F88 HydrophobicContact CG1-CD2 3.68Å; V84-F88 HydrophobicContact CG1-CE2 3.54Å; V84-F88 VanDerWaalsContact O-CD2 3.24Å; V84-F88 WeakPolarHBondContact O-CD2 3.34Å; V84-F88 PolarHBondContact O-N 2.77Å |
| 85 | D | 96.1 | Very high | 90.8 | Very high | 102 Ų | 102 | 100.6 Ų | 100.6 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | 179 | -171.2 | 54.5 | 0 | 0 | 0 | 112.6 | S81 T82 H87 F88 S89 | S81-D85 VanDerWaalsContact O-CB 3.23Å; S81-D85 WeakPolarHBondContact O-CB 3.19Å; S81-D85 PolarHBondContact O-N 2.84Å; T82-D85 PolarHBondContact O-N 2.88Å; D85-H87 VanDerWaalsContact C-N 3.33Å; D85-H87 PolarHBondContact O-N 2.92Å; D85-F88 PolarHBondContact O-N 3.32Å; D85-S89 VanDerWaalsContact O-CB 3.25Å; D85-S89 WeakPolarHBondContact O-CB 3.44Å; D85-S89 PolarHBondContact O-N 3.07Å; D85-S89 PolarHBondContact O-OG 3.11Å |
| 86 | E | 95.9 | Very high | 89.1 | Confident | 104 Ų | 104 | 96.5 Ų | 96.5 | 49% | 0.486 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 172.1 | -167.5 | -154.4 | 130.4 | 0 | 0 | 110.8 | T82 V84 S89 R90 | T82-E86 WeakPolarHBondContact O-CB 3.43Å; T82-E86 PolarHBondContact O-N 3.23Å; V84-E86 VanDerWaalsContact C-N 3.33Å; V84-E86 PolarHBondContact O-N 2.85Å; E86-S89 PolarHBondContact O-N 2.96Å; E86-R90 HydrophobicContact CG-CG 4.45Å; E86-R90 VanDerWaalsContact O-CB 3.31Å; E86-R90 WeakPolarHBondContact O-CB 3.33Å; E86-R90 VanDerWaalsContact O-CG 3.23Å; E86-R90 WeakPolarHBondContact O-CG 3.24Å; E86-R90 PolarHBondContact O-N 2.73Å; E86-R90 WeakPolarHBondContact OE1-CD 3.23Å; E86-R90 IonicContact OE1-CZ 3.09Å; E86-R90 IonicContact OE1-NE 2.86Å; E86-R90 IonicContact OE1-NH1 3.51Å; E86-R90 PolarHBondContact OE1-NH1 2.97Å |
| 87 | H | 95.1 | Very high | 87.4 | Confident | 127 Ų | 127 | 95.9 Ų | 95.9 | 59% | 0.588 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.5 | -47.5 | 176.4 | 177.9 | 86.7 | 0 | 0 | 0 | 111.8 | V83 V84 D85 R90 A91 | V83-H87 PolarHBondContact O-N 3.03Å; V83-H87 VanDerWaalsContact O-N 3.09Å; V84-H87 WeakPolarHBondContact O-CB 3.22Å; V84-H87 PolarHBondContact O-N 3.29Å; V84-H87 VanDerWaalsContact O-N 3.11Å; D85-H87 VanDerWaalsContact C-N 3.33Å; D85-H87 PolarHBondContact O-N 2.92Å; H87-R90 PolarHBondContact O-N 3.42Å; H87-A91 WeakPolarHBondContact O-CB 3.24Å; H87-A91 PolarHBondContact O-N 3.07Å |
| 88 | F | 95.4 | Very high | 85.8 | Confident | 116 Ų | 116 | 95.6 Ų | 95.6 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 177.6 | -82.9 | -79.7 | 0 | 0 | 0 | 112.1 | V84 D85 R90 A91 L92 | V84-F88 HydrophobicContact CG1-CD2 3.68Å; V84-F88 HydrophobicContact CG1-CE2 3.54Å; V84-F88 VanDerWaalsContact O-CD2 3.24Å; V84-F88 WeakPolarHBondContact O-CD2 3.34Å; V84-F88 PolarHBondContact O-N 2.77Å; D85-F88 PolarHBondContact O-N 3.32Å; F88-R90 VanDerWaalsContact C-N 3.31Å; F88-R90 PolarHBondContact O-N 3.3Å; F88-A91 PolarHBondContact O-N 3.18Å; F88-L92 WeakPolarHBondContact O-CB 3.39Å; F88-L92 WeakPolarHBondContact O-CG 3.35Å; F88-L92 PolarHBondContact O-N 2.98Å |
| 89 | S | 94.6 | Very high | 84.1 | Confident | 62 Ų | 62 | 100.2 Ų | 100.2 | 43% | 0.434 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 177 | -69 | 0 | 0 | 0 | 0 | 111.3 | D85 E86 S93 | D85-S89 VanDerWaalsContact O-CB 3.25Å; D85-S89 WeakPolarHBondContact O-CB 3.44Å; D85-S89 PolarHBondContact O-N 3.07Å; D85-S89 PolarHBondContact O-OG 3.11Å; E86-S89 PolarHBondContact O-N 2.96Å; S89-S93 WeakPolarHBondContact O-CB 3.47Å; S89-S93 PolarHBondContact O-N 2.88Å; S89-S93 PolarHBondContact O-OG 3.27Å |
| 90 | R | 92.1 | Very high | 81.8 | Confident | 156 Ų | 156 | 100 Ų | 100 | 59% | 0.589 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.9 | -39.7 | 175.4 | -74.2 | 170.4 | 64.6 | -177 | -0.7 | 112.6 | E86 H87 F88 S93 Q94 | E86-R90 HydrophobicContact CG-CG 4.45Å; E86-R90 VanDerWaalsContact O-CB 3.31Å; E86-R90 WeakPolarHBondContact O-CB 3.33Å; E86-R90 VanDerWaalsContact O-CG 3.23Å; E86-R90 WeakPolarHBondContact O-CG 3.24Å; E86-R90 PolarHBondContact O-N 2.73Å; E86-R90 WeakPolarHBondContact OE1-CD 3.23Å; E86-R90 IonicContact OE1-CZ 3.09Å; E86-R90 IonicContact OE1-NE 2.86Å; E86-R90 IonicContact OE1-NH1 3.51Å; E86-R90 PolarHBondContact OE1-NH1 2.97Å; H87-R90 PolarHBondContact O-N 3.42Å; F88-R90 VanDerWaalsContact C-N 3.31Å; F88-R90 PolarHBondContact O-N 3.3Å; R90-S93 WeakPolarHBondContact CA-OG 3.36Å; R90-S93 PolarHBondContact O-OG 3.09Å; R90-S93 VanDerWaalsContact O-OG 3.11Å; R90-Q94 WeakPolarHBondContact O-CG 3.21Å |
| 91 | A | 92.5 | Very high | 79.6 | Confident | 53 Ų | 53 | 100.9 Ų | 100.9 | 44% | 0.438 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.2 | -40.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H87 F88 | H87-A91 WeakPolarHBondContact O-CB 3.24Å; H87-A91 PolarHBondContact O-N 3.07Å; F88-A91 PolarHBondContact O-N 3.18Å |
| 92 | L | 89.4 | Confident | 77.5 | Confident | 120 Ų | 120 | 101.2 Ų | 101.2 | 63% | 0.628 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -85.1 | -30.3 | -175.8 | -65 | 175.3 | 0 | 0 | 0 | 113.5 | F88 Q94 T95 | F88-L92 WeakPolarHBondContact O-CB 3.39Å; F88-L92 WeakPolarHBondContact O-CG 3.35Å; F88-L92 PolarHBondContact O-N 2.98Å; L92-Q94 PolarHBondContact O-N 2.9Å; L92-T95 WeakPolarHBondContact O-CB 3.31Å; L92-T95 PolarHBondContact O-N 3.32Å; L92-T95 VanDerWaalsContact O-N 3.15Å; L92-T95 PolarHBondContact O-OG1 3.27Å |
| 93 | S | 82.8 | Confident | 74.9 | Confident | 66 Ų | 66 | 100.3 Ų | 100.3 | 46% | 0.462 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.3 | -26.9 | 176.6 | 52.5 | 0 | 0 | 0 | 0 | 113.2 | S89 R90 T95 S96 | S89-S93 WeakPolarHBondContact O-CB 3.47Å; S89-S93 PolarHBondContact O-N 2.88Å; S89-S93 PolarHBondContact O-OG 3.27Å; R90-S93 WeakPolarHBondContact CA-OG 3.36Å; R90-S93 PolarHBondContact O-OG 3.09Å; R90-S93 VanDerWaalsContact O-OG 3.11Å; S93-T95 PolarHBondContact O-N 3.32Å; S93-S96 PolarHBondContact O-N 2.69Å |
| 94 | Q | 69.5 | Low | 72.7 | Confident | 105 Ų | 105 | 105.7 Ų | 105.7 | 49% | 0.491 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -61 | -30.6 | 175.9 | -57.8 | -56.9 | -37.4 | 0 | 0 | 112.4 | R90 L92 S96 A97 Y98 | R90-Q94 WeakPolarHBondContact O-CG 3.21Å; L92-Q94 PolarHBondContact O-N 2.9Å; Q94-S96 PolarHBondContact O-N 2.76Å; Q94-A97 WeakPolarHBondContact O-CB 3.45Å; Q94-A97 PolarHBondContact O-N 2.92Å; Q94-Y98 HydrophobicContact CB-CE2 4.27Å; Q94-Y98 WeakPolarHBondContact O-CD2 3.5Å; Q94-Y98 WeakPolarHBondContact O-CE2 3.14Å |
| 95 | T | 63.7 | Low | 70.5 | Confident | 94 Ų | 94 | 112 Ų | 112 | 58% | 0.577 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -62.6 | -30.7 | -180 | -53.5 | 0 | 0 | 0 | 0 | 112 | L92 S93 A97 | L92-T95 WeakPolarHBondContact O-CB 3.31Å; L92-T95 PolarHBondContact O-N 3.32Å; L92-T95 VanDerWaalsContact O-N 3.15Å; L92-T95 PolarHBondContact O-OG1 3.27Å; S93-T95 PolarHBondContact O-N 3.32Å; T95-A97 VanDerWaalsContact C-N 3.28Å; T95-A97 PolarHBondContact O-N 3.3Å |
| 96 | S | 57.3 | Low | 68.4 | Low | 97 Ų | 97 | 111.3 Ų | 111.3 | 68% | 0.678 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -72.4 | -19.8 | 177.4 | -170.1 | 0 | 0 | 0 | 0 | 113.3 | S93 Q94 | S93-S96 PolarHBondContact O-N 2.69Å; Q94-S96 PolarHBondContact O-N 2.76Å |
| 97 | A | 56.8 | Low | 66 | Low | 68 Ų | 68 | 111.8 Ų | 111.8 | 56% | 0.562 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -83.9 | -19 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q94 T95 L99 | Q94-A97 WeakPolarHBondContact O-CB 3.45Å; Q94-A97 PolarHBondContact O-N 2.92Å; T95-A97 VanDerWaalsContact C-N 3.28Å; T95-A97 PolarHBondContact O-N 3.3Å; A97-L99 VanDerWaalsContact C-N 3.26Å; A97-L99 PolarHBondContact O-N 2.88Å |
| 98 | Y | 56 | Low | 64 | Low | 162 Ų | 162 | 117.3 Ų | 117.3 | 64% | 0.635 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -75.8 | -9.3 | -179.5 | -64.2 | -81.4 | 0 | 0 | 0 | 114.2 | Q94 | Q94-Y98 HydrophobicContact CB-CE2 4.27Å; Q94-Y98 WeakPolarHBondContact O-CD2 3.5Å; Q94-Y98 WeakPolarHBondContact O-CE2 3.14Å |
| 99 | L | 54.4 | Low | 62.1 | Low | 149 Ų | 149 | 119 Ų | 119 | 78% | 0.78 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -95 | 2.6 | -177.9 | -65.3 | 179.3 | 0 | 0 | 0 | 114.5 | A97 P101 | A97-L99 VanDerWaalsContact C-N 3.26Å; A97-L99 PolarHBondContact O-N 2.88Å; L99-P101 WeakPolarHBondContact O-CD 3.4Å |
| 100 | T | 45.2 | Very low | 60.5 | Low | 111 Ų | 111 | 119.1 Ų | 119.1 | 68% | 0.681 | 68% | 0.683 | S | S | * | * | trans | -103.6 | 99.1 | 174.4 | -100.9 | 0 | 0 | 0 | 0 | 110.4 | S102 | T100-S102 VanDerWaalsContact C-N 3.26Å; T100-S102 WeakPolarHBondContact CG2-O 3.35Å; T100-S102 PolarHBondContact O-N 3.23Å | ||
| 101 | P | 49.2 | Very low | 59.6 | Low | 131 Ų | 131 | 115.4 Ų | 115.4 | 85% | 0.851 | 68% | 0.681 | S | S | * | * | trans | -89.9 | 37.1 | 173.1 | 37 | -36.5 | 0 | 0 | 0 | 112.1 | L99 | L99-P101 WeakPolarHBondContact O-CD 3.4Š| ||
| 102 | S | 51.8 | Low | 59.1 | Low | 104 Ų | 104 | 119.8 Ų | 119.8 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | trans | -162.7 | 130.8 | 178.1 | -169.9 | 0 | 0 | 0 | 0 | 113.4 | T100 | T100-S102 VanDerWaalsContact C-N 3.26Å; T100-S102 WeakPolarHBondContact CG2-O 3.35Å; T100-S102 PolarHBondContact O-N 3.23Å | ||
| 103 | G | 43.6 | Very low | 59 | Low | 62 Ų | 62 | 116 Ų | 116 | 64% | 0.639 | 67% | 0.672 | S | S | * | * | trans | 110.8 | 73.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | K105 | G103-K105 PolarHBondContact O-N 3Š| ||
| 104 | N | 48.7 | Very low | 59.3 | Low | 165 Ų | 165 | 116.6 Ų | 116.6 | 88% | 0.882 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 27.2 | 55.3 | 137.7 | -58.6 | -0.7 | 0 | 0 | 0 | 119 | ||
| 105 | K | 51.5 | Low | 60.1 | Low | 198 Ų | 198 | 115.7 Ų | 115.7 | 86% | 0.861 | 68% | 0.675 | S | S | * | * | trans | -167 | 80.6 | 143.3 | -71.1 | -151.4 | -176.7 | 171 | 0 | 108.3 | G103 | G103-K105 PolarHBondContact O-N 3Š| ||
| 106 | A | 50.2 | Low | 61.4 | Low | 88 Ų | 88 | 117.5 Ų | 117.5 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | trans | -64.3 | 127.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | R108 | A106-R108 PolarHBondContact O-N 3.47Š| ||
| 107 | P | 47.3 | Very low | 62.9 | Low | 114 Ų | 114 | 117.9 Ų | 117.9 | 74% | 0.74 | 66% | 0.663 | S | S | * | * | trans | -59.6 | 123.9 | 165.6 | 23.9 | -29.1 | 0 | 0 | 0 | 107.6 | D109 | P107-D109 PolarHBondContact O-N 3.16Š| ||
| 108 | R | 52.4 | Low | 64.6 | Low | 242 Ų | 242 | 120.7 Ų | 120.7 | 91% | 0.913 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 15.8 | -163.6 | -95.6 | -177.8 | -179.8 | 177.5 | -0.6 | 116 | A106 | A106-R108 PolarHBondContact O-N 3.47Š|
| 109 | D | 54.6 | Low | 66.4 | Low | 153 Ų | 153 | 116.8 Ų | 116.8 | 82% | 0.818 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | 21.9 | -175.5 | -52 | -43 | 0 | 0 | 0 | 112.3 | P107 S111 | P107-D109 PolarHBondContact O-N 3.16Å; D109-S111 VanDerWaalsContact C-N 3.31Å; D109-S111 PolarHBondContact O-N 3.4Å |
| 110 | G | 61.5 | Low | 68.3 | Low | 64 Ų | 64 | 113.1 Ų | 113.1 | 66% | 0.66 | 65% | 0.65 | S | S | * | * | trans | -70.3 | 81.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | F112 | G110-F112 PolarHBondContact O-N 3.24Š| ||
| 111 | S | 73.1 | Confident | 70.4 | Confident | 78 Ų | 78 | 111.8 Ų | 111.8 | 55% | 0.545 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 129.9 | 166.8 | 159.7 | 0 | 0 | 0 | 0 | 109.7 | D109 R117 | D109-S111 VanDerWaalsContact C-N 3.31Å; D109-S111 PolarHBondContact O-N 3.4Å; S111-R117 PolarHBondContact OG-NH2 3Å |
| 112 | F | 81.4 | Confident | 72.5 | Confident | 144 Ų | 144 | 108.3 Ų | 108.3 | 63% | 0.632 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 134.7 | 171.8 | -61.7 | -79.3 | 0 | 0 | 0 | 110.4 | G110 R117 | G110-F112 PolarHBondContact O-N 3.24Å; F112-R117 PolarHBondContact O-NE 3.41Å; F112-R117 VanDerWaalsContact O-NE 3.15Å; F112-R117 PolarHBondContact O-NH2 2.98Å |
| 113 | P | 87.9 | Confident | 74.5 | Confident | 40 Ų | 40 | 108.1 Ų | 108.1 | 26% | 0.26 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -58 | 147.7 | 174.6 | 27.8 | -35.6 | 0 | 0 | 0 | 108.8 | S115 Q116 | P113-S115 PolarHBondContact O-N 2.78Å; P113-Q116 HydrophobicContact CG-CB 4.07Å; P113-Q116 VanDerWaalsContact CG-CD 3.43Å; P113-Q116 HydrophobicContact CG-CG 3.69Å; P113-Q116 PolarHBondContact O-N 3.43Å |
| 114 | M | 88.7 | Confident | 76.9 | Confident | 79 Ų | 79 | 112 Ų | 112 | 39% | 0.389 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -57.4 | -28.4 | -175.5 | -164.9 | 72.2 | 65.7 | 0 | 0 | 111.9 | Q116 R117 F119 F123 W124 | M114-Q116 VanDerWaalsContact C-N 3.32Å; M114-Q116 PolarHBondContact O-N 3.15Å; M114-R117 WeakPolarHBondContact O-CB 3.23Å; M114-R117 PolarHBondContact O-N 3.04Å; M114-F119 HydrophobicContact CG-CD2 4.25Å; M114-F119 HydrophobicContact CG-CE2 3.83Å; M114-F119 HydrophobicContact SD-CD2 4.16Å; M114-F119 HydrophobicContact SD-CE2 3.19Å; M114-F119 WeakPolarHBondContact SD-CE2 3.39Å; M114-F119 HydrophobicContact SD-CZ 3.55Å; M114-F119 VanDerWaalsContact SD-CZ 3.55Å; M114-F123 HydrophobicContact CG-CE1 3.64Å; M114-F123 HydrophobicContact CG-CZ 3.86Å; M114-F123 HydrophobicContact SD-CE1 4.5Å; M114-F123 HydrophobicContact SD-CZ 4.17Å; M114-W124 VanDerWaalsContact C-CZ2 3.48Å; M114-W124 HydrophobicContact CB-CH2 3.69Å; M114-W124 HydrophobicContact CB-CZ2 3.9Å; M114-W124 HydrophobicContact CG-CH2 3.67Å; M114-W124 HydrophobicContact CG-CZ2 3.68Å |
| 115 | S | 87.8 | Confident | 79 | Confident | 87 Ų | 87 | 108 Ų | 108 | 61% | 0.608 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -67 | -23.6 | 176 | 56.8 | 0 | 0 | 0 | 0 | 115.2 | P113 R117 | P113-S115 PolarHBondContact O-N 2.78Å; S115-R117 VanDerWaalsContact C-N 3.34Å |
| 116 | Q | 89.1 | Confident | 80.8 | Confident | 132 Ų | 132 | 104.8 Ų | 104.8 | 62% | 0.617 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -89.3 | -5.5 | 176.7 | -72.8 | 176.5 | 9 | 0 | 0 | 112.7 | P113 M114 | P113-Q116 HydrophobicContact CG-CB 4.07Å; P113-Q116 VanDerWaalsContact CG-CD 3.43Å; P113-Q116 HydrophobicContact CG-CG 3.69Å; P113-Q116 PolarHBondContact O-N 3.43Å; M114-Q116 VanDerWaalsContact C-N 3.32Å; M114-Q116 PolarHBondContact O-N 3.15Å |
| 117 | R | 90.8 | Very high | 82.8 | Confident | 105 Ų | 105 | 105.1 Ų | 105.1 | 40% | 0.396 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -89 | 147.4 | 177.7 | -58 | 177.4 | -177 | -156.4 | -1.7 | 109.1 | S111 F112 M114 S115 F119 | S111-R117 PolarHBondContact OG-NH2 3Å; F112-R117 PolarHBondContact O-NE 3.41Å; F112-R117 VanDerWaalsContact O-NE 3.15Å; F112-R117 PolarHBondContact O-NH2 2.98Å; M114-R117 WeakPolarHBondContact O-CB 3.23Å; M114-R117 PolarHBondContact O-N 3.04Å; S115-R117 VanDerWaalsContact C-N 3.34Å; R117-F119 HydrophobicContact CB-CD2 3.72Å; R117-F119 HydrophobicContact CB-CE2 3.39Å; R117-F119 HydrophobicContact CB-CZ 4.39Å; R117-F119 HydrophobicContact CG-CE2 4.23Å; R117-F119 PolarHBondContact O-N 2.86Å |
| 118 | S | 91.6 | Very high | 84.8 | Confident | 126 Ų | 126 | 104.4 Ų | 104.4 | 88% | 0.881 | 57% | 0.565 | S | S | * | * | trans | -73.5 | 89 | 178.2 | 58.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 119 | F | 94.2 | Very high | 86.2 | Confident | 80 Ų | 80 | 100.4 Ų | 100.4 | 35% | 0.351 | 56% | 0.557 | S | S | . | * | trans | -111.3 | 150.6 | 170.9 | -72 | -72.7 | 0 | 0 | 0 | 111 | M114 R117 F123 | M114-F119 HydrophobicContact CG-CD2 4.25Å; M114-F119 HydrophobicContact CG-CE2 3.83Å; M114-F119 HydrophobicContact SD-CD2 4.16Å; M114-F119 HydrophobicContact SD-CE2 3.19Å; M114-F119 WeakPolarHBondContact SD-CE2 3.39Å; M114-F119 HydrophobicContact SD-CZ 3.55Å; M114-F119 VanDerWaalsContact SD-CZ 3.55Å; R117-F119 HydrophobicContact CB-CD2 3.72Å; R117-F119 HydrophobicContact CB-CE2 3.39Å; R117-F119 HydrophobicContact CB-CZ 4.39Å; R117-F119 HydrophobicContact CG-CE2 4.23Å; R117-F119 PolarHBondContact O-N 2.86Å; F119-F123 HydrophobicContact CB-CB 3.8Å; F119-F123 HydrophobicContact CB-CD1 4.12Å; F119-F123 HydrophobicContact CB-CD2 4.41Å; F119-F123 HydrophobicContact CB-CG 3.86Å; F119-F123 AromaticContact CD1-CD2 3.87Å; F119-F123 HydrophobicContact CD1-CD2 3.87Å; F119-F123 HydrophobicContact CD1-CE2 4.12Å; F119-F123 HydrophobicContact CD1-CG 4.17Å; F119-F123 HydrophobicContact CD2-CD1 4.42Å; F119-F123 HydrophobicContact CD2-CE1 4.4Å; F119-F123 HydrophobicContact CE1-CD2 4.38Å; F119-F123 HydrophobicContact CE1-CE2 4.19Å; F119-F123 HydrophobicContact CG-CB 4.44Å; F119-F123 HydrophobicContact CG-CD1 4.16Å; F119-F123 HydrophobicContact CG-CD2 4.15Å; F119-F123 HydrophobicContact CG-CE1 4.48Å; F119-F123 HydrophobicContact CG-CE2 4.47Å; F119-F123 AromaticContact CG-CG 3.99Å; F119-F123 HydrophobicContact CG-CG 3.99Å | ||
| 120 | P | 93.4 | Very high | 87.3 | Confident | 73 Ų | 73 | 97.4 Ų | 97.4 | 47% | 0.474 | 55% | 0.546 | S | S | . | . | trans | -62.6 | 152.9 | 173.7 | 28.4 | -35.2 | 0 | 0 | 0 | 110.5 | S122 F123 | P120-S122 PolarHBondContact O-N 3Å; P120-F123 HydrophobicContact CG-CB 4.48Å; P120-F123 WeakPolarHBondContact O-CB 3.25Å; P120-F123 PolarHBondContact O-N 3.42Å | ||
| 121 | P | 89.4 | Confident | 87.7 | Confident | 82 Ų | 82 | 98.3 Ų | 98.3 | 53% | 0.532 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -56.2 | -27.2 | 178.3 | -26.6 | 35 | 0 | 0 | 0 | 114.2 | F123 W124 N125 Y128 | P121-F123 PolarHBondContact O-N 3.09Å; P121-W124 PolarHBondContact O-N 3.47Å; P121-N125 WeakPolarHBondContact O-CB 3.39Å; P121-N125 PolarHBondContact O-N 3.33Å; P121-Y128 HydrophobicContact CB-CD2 3.98Å; P121-Y128 HydrophobicContact CB-CE2 3.84Å; P121-Y128 HydrophobicContact CG-CE2 4.36Å |
| 122 | S | 92.5 | Very high | 86.8 | Confident | 59 Ų | 59 | 100.6 Ų | 100.6 | 41% | 0.413 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -62.6 | -22.9 | 174.3 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | P120 W124 | P120-S122 PolarHBondContact O-N 3Å; S122-W124 PolarHBondContact O-N 2.9Å |
| 123 | F | 95.1 | Very high | 85.1 | Confident | 99 Ų | 99 | 98.6 Ų | 98.6 | 43% | 0.434 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -65.4 | -31.4 | 175.7 | -175 | -88.7 | 0 | 0 | 0 | 111.9 | M114 F119 P120 P121 | M114-F123 HydrophobicContact CG-CE1 3.64Å; M114-F123 HydrophobicContact CG-CZ 3.86Å; M114-F123 HydrophobicContact SD-CE1 4.5Å; M114-F123 HydrophobicContact SD-CZ 4.17Å; F119-F123 HydrophobicContact CB-CB 3.8Å; F119-F123 HydrophobicContact CB-CD1 4.12Å; F119-F123 HydrophobicContact CB-CD2 4.41Å; F119-F123 HydrophobicContact CB-CG 3.86Å; F119-F123 AromaticContact CD1-CD2 3.87Å; F119-F123 HydrophobicContact CD1-CD2 3.87Å; F119-F123 HydrophobicContact CD1-CE2 4.12Å; F119-F123 HydrophobicContact CD1-CG 4.17Å; F119-F123 HydrophobicContact CD2-CD1 4.42Å; F119-F123 HydrophobicContact CD2-CE1 4.4Å; F119-F123 HydrophobicContact CE1-CD2 4.38Å; F119-F123 HydrophobicContact CE1-CE2 4.19Å; F119-F123 HydrophobicContact CG-CB 4.44Å; F119-F123 HydrophobicContact CG-CD1 4.16Å; F119-F123 HydrophobicContact CG-CD2 4.15Å; F119-F123 HydrophobicContact CG-CE1 4.48Å; F119-F123 HydrophobicContact CG-CE2 4.47Å; F119-F123 AromaticContact CG-CG 3.99Å; F119-F123 HydrophobicContact CG-CG 3.99Å; P120-F123 HydrophobicContact CG-CB 4.48Å; P120-F123 WeakPolarHBondContact O-CB 3.25Å; P120-F123 PolarHBondContact O-N 3.42Å; P121-F123 PolarHBondContact O-N 3.09Å |
| 124 | W | 94.8 | Very high | 83.3 | Confident | 144 Ų | 144 | 101.8 Ų | 101.8 | 55% | 0.545 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104 | -25.6 | -177.6 | -61.5 | 110.6 | 0 | 0 | 0 | 113.4 | M114 P121 S122 | M114-W124 VanDerWaalsContact C-CZ2 3.48Å; M114-W124 HydrophobicContact CB-CH2 3.69Å; M114-W124 HydrophobicContact CB-CZ2 3.9Å; M114-W124 HydrophobicContact CG-CH2 3.67Å; M114-W124 HydrophobicContact CG-CZ2 3.68Å; P121-W124 PolarHBondContact O-N 3.47Å; S122-W124 PolarHBondContact O-N 2.9Å |
| 125 | N | 90.9 | Very high | 81.5 | Confident | 81 Ų | 81 | 104.2 Ų | 104.2 | 43% | 0.433 | 60% | 0.604 | S | S | . | * | trans | -111.3 | 105.1 | -175 | -172.4 | -17.7 | 0 | 0 | 0 | 111.1 | P121 S127 Y128 | P121-N125 WeakPolarHBondContact O-CB 3.39Å; P121-N125 PolarHBondContact O-N 3.33Å; N125-S127 PolarHBondContact O-N 3.11Å; N125-S127 WeakPolarHBondContact OD1-CA 3.11Å; N125-S127 WeakPolarHBondContact OD1-CB 3.46Å; N125-S127 PolarHBondContact OD1-N 3.43Å; N125-Y128 WeakPolarHBondContact O-CB 3.02Å; N125-Y128 PolarHBondContact O-N 2.83Å; N125-Y128 VanDerWaalsContact O-N 3.07Å; N125-Y128 PolarHBondContact OD1-N 2.9Å | ||
| 126 | S | 90.7 | Very high | 79.8 | Confident | 131 Ų | 131 | 109 Ų | 109 | 92% | 0.916 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -25.9 | 176.4 | -50.3 | 0 | 0 | 0 | 0 | 113.6 | Y128 | S126-Y128 VanDerWaalsContact C-N 3.29Š|
| 127 | S | 91.4 | Very high | 77.7 | Confident | 95 Ų | 95 | 105.8 Ų | 105.8 | 66% | 0.664 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | 13.7 | 177.7 | -56.7 | 0 | 0 | 0 | 0 | 112.4 | N125 Q129 | N125-S127 PolarHBondContact O-N 3.11Å; N125-S127 WeakPolarHBondContact OD1-CA 3.11Å; N125-S127 WeakPolarHBondContact OD1-CB 3.46Å; N125-S127 PolarHBondContact OD1-N 3.43Å; S127-Q129 PolarHBondContact O-N 3.33Å |
| 128 | Y | 88.9 | Confident | 75.5 | Confident | 99 Ų | 99 | 105.1 Ų | 105.1 | 39% | 0.388 | 65% | 0.65 | S | S | . | * | trans | -61 | 102.5 | 177.9 | -174.7 | -94.1 | 0 | 0 | 0 | 109.8 | P121 N125 S126 P130 | P121-Y128 HydrophobicContact CB-CD2 3.98Å; P121-Y128 HydrophobicContact CB-CE2 3.84Å; P121-Y128 HydrophobicContact CG-CE2 4.36Å; N125-Y128 WeakPolarHBondContact O-CB 3.02Å; N125-Y128 PolarHBondContact O-N 2.83Å; N125-Y128 VanDerWaalsContact O-N 3.07Å; N125-Y128 PolarHBondContact OD1-N 2.9Å; S126-Y128 VanDerWaalsContact C-N 3.29Å; Y128-P130 HydrophobicContact CD1-CG 4.5Å; Y128-P130 HydrophobicContact CE1-CB 4.29Å; Y128-P130 HydrophobicContact CE1-CG 4.28Å | ||
| 129 | Q | 83.4 | Confident | 73.2 | Confident | 158 Ų | 158 | 103.3 Ų | 103.3 | 74% | 0.738 | 64% | 0.642 | S | S | * | * | trans | -83.3 | 121.9 | 161.9 | -63.7 | -60.7 | -35.5 | 0 | 0 | 106 | S127 A131 | S127-Q129 PolarHBondContact O-N 3.33Å; Q129-A131 PolarHBondContact O-N 3.49Å | ||
| 130 | P | 77.8 | Confident | 71.1 | Confident | 89 Ų | 89 | 107.4 Ų | 107.4 | 58% | 0.578 | 67% | 0.667 | S | S | * | * | trans | -52.8 | 117.5 | 167.3 | -18.7 | 29.7 | 0 | 0 | 0 | 106.7 | Y128 V132 | Y128-P130 HydrophobicContact CD1-CG 4.5Å; Y128-P130 HydrophobicContact CE1-CB 4.29Å; Y128-P130 HydrophobicContact CE1-CG 4.28Å; P130-V132 VanDerWaalsContact C-N 3.33Å; P130-V132 PolarHBondContact O-N 3.42Å | ||
| 131 | A | 67.9 | Low | 68.9 | Low | 84 Ų | 84 | 109.9 Ų | 109.9 | 69% | 0.694 | 69% | 0.686 | S | S | * | * | trans | -59 | 107.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 105.4 | Q129 S133 | Q129-A131 PolarHBondContact O-N 3.49Å; A131-S133 VanDerWaalsContact C-N 3.31Å; A131-S133 PolarHBondContact O-N 3.05Å | ||
| 132 | V | 55.9 | Low | 66.4 | Low | 125 Ų | 125 | 109.8 Ų | 109.8 | 76% | 0.758 | 69% | 0.692 | S | S | * | * | trans | -58.4 | 106.8 | 163 | -65.7 | 0 | 0 | 0 | 0 | 104.3 | P130 S134 | P130-V132 VanDerWaalsContact C-N 3.33Å; P130-V132 PolarHBondContact O-N 3.42Å; V132-S134 VanDerWaalsContact C-N 3.25Å; V132-S134 PolarHBondContact O-N 2.93Å | ||
| 133 | S | 44.2 | Very low | 64.2 | Low | 103 Ų | 103 | 112.7 Ų | 112.7 | 72% | 0.72 | 71% | 0.71 | S | S | * | * | trans | -61.2 | 96.8 | 175.2 | -75.2 | 0 | 0 | 0 | 0 | 107.5 | A131 T135 | A131-S133 VanDerWaalsContact C-N 3.31Å; A131-S133 PolarHBondContact O-N 3.05Å; S133-T135 PolarHBondContact O-N 3.25Å | ||
| 134 | S | 50.6 | Low | 61.7 | Low | 106 Ų | 106 | 117.5 Ų | 117.5 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -64.4 | 81.6 | 160.6 | -54.2 | 0 | 0 | 0 | 0 | 107.2 | V132 | V132-S134 VanDerWaalsContact C-N 3.25Å; V132-S134 PolarHBondContact O-N 2.93Å |
| 135 | T | 50.9 | Low | 59.2 | Low | 130 Ų | 130 | 114.3 Ų | 114.3 | 80% | 0.798 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 173.6 | 102.6 | 154.3 | 28.3 | 0 | 0 | 0 | 0 | 108 | S133 | S133-T135 PolarHBondContact O-N 3.25Š|
| 136 | L | 52.2 | Low | 56.9 | Low | 188 Ų | 188 | 117.7 Ų | 117.7 | 98% | 0.984 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 84.1 | 35.1 | 167.2 | -143.2 | 73.3 | 0 | 0 | 0 | 119.9 | ||
| 137 | G | 44.3 | Very low | 54.5 | Low | 64 Ų | 64 | 117.7 Ų | 117.7 | 66% | 0.66 | 74% | 0.744 | S | S | * | * | trans | -140.8 | 31.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A139 | G137-A139 VanDerWaalsContact C-N 3.26Å; G137-A139 PolarHBondContact O-N 2.94Å | ||
| 138 | G | 44.7 | Very low | 52.2 | Low | 92 Ų | 92 | 118.6 Ų | 118.6 | 95% | 0.948 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 49.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 139 | A | 44.8 | Very low | 49.7 | Very low | 87 Ų | 87 | 122.1 Ų | 122.1 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144 | -4.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | G137 | G137-A139 VanDerWaalsContact C-N 3.26Å; G137-A139 PolarHBondContact O-N 2.94Å |
| 140 | L | 50.3 | Low | 47.8 | Very low | 167 Ų | 167 | 119.9 Ų | 119.9 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -124.5 | 12.7 | -175.7 | -62.8 | 177 | 0 | 0 | 0 | 115.2 | ||
| 141 | S | 47.1 | Very low | 46.3 | Very low | 125 Ų | 125 | 121.8 Ų | 121.8 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -137.1 | 57.1 | 173 | -56.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 142 | A | 36.7 | Very low | 44.8 | Very low | 79 Ų | 79 | 124.3 Ų | 124.3 | 65% | 0.653 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -95.7 | 136.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 107 | H144 | A142-H144 PolarHBondContact O-N 2.85Š|
| 143 | P | 44.9 | Very low | 44.5 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | -62.3 | 131.2 | 167 | 29.8 | -30.3 | 0 | 0 | 0 | 106.5 | A145 | P143-A145 PolarHBondContact O-N 3.01Š| ||
| 144 | H | 43.3 | Very low | 44.5 | Very low | 200 Ų | 200 | 128.3 Ų | 128.3 | 93% | 0.926 | 78% | 0.779 | S | S | * | * | trans | -19.8 | 93.8 | 177.1 | -88.3 | -88.5 | 0 | 0 | 0 | 113.8 | A142 | A142-H144 PolarHBondContact O-N 2.85Š| ||
| 145 | A | 42.7 | Very low | 44 | Very low | 77 Ų | 77 | 128.7 Ų | 128.7 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | trans | -113.3 | 114.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 105.1 | P143 I147 | P143-A145 PolarHBondContact O-N 3.01Å; A145-I147 PolarHBondContact O-N 3.2Å | ||
| 146 | D | 42 | Very low | 43.8 | Very low | 152 Ų | 152 | 128 Ų | 128 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -44.4 | 103.9 | -175.3 | -64.5 | -69.8 | 0 | 0 | 0 | 112.7 | S148 | D146-S148 VanDerWaalsContact C-N 3.29Å; D146-S148 PolarHBondContact O-N 3.29Å | ||
| 147 | I | 40.3 | Very low | 43.3 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 67% | 0.672 | 77% | 0.773 | S | S | * | * | trans | -74.1 | 96.4 | 159.9 | -61.5 | 172.8 | 0 | 0 | 0 | 105.8 | A145 F149 | A145-I147 PolarHBondContact O-N 3.2Å; I147-F149 HydrophobicContact CB-CD2 4.44Å; I147-F149 HydrophobicContact CB-CE2 4.05Å; I147-F149 HydrophobicContact CG2-CD2 3.7Å; I147-F149 HydrophobicContact CG2-CE1 4.16Å; I147-F149 HydrophobicContact CG2-CE2 3.22Å; I147-F149 HydrophobicContact CG2-CG 4.36Å; I147-F149 HydrophobicContact CG2-CZ 3.48Å; I147-F149 VanDerWaalsContact CG2-CZ 3.48Å; I147-F149 PolarHBondContact O-N 2.91Å; I147-F149 VanDerWaalsContact O-N 3.1Å | ||
| 148 | S | 43.3 | Very low | 43.1 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -60.9 | 105.1 | 168 | -66.4 | 0 | 0 | 0 | 0 | 109.1 | D146 | D146-S148 VanDerWaalsContact C-N 3.29Å; D146-S148 PolarHBondContact O-N 3.29Å | ||
| 149 | F | 36.5 | Very low | 43.3 | Very low | 173 Ų | 173 | 129.4 Ų | 129.4 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | -96.8 | 141.4 | 163 | -73.5 | -72.8 | 0 | 0 | 0 | 109.8 | I147 | I147-F149 HydrophobicContact CB-CD2 4.44Å; I147-F149 HydrophobicContact CB-CE2 4.05Å; I147-F149 HydrophobicContact CG2-CD2 3.7Å; I147-F149 HydrophobicContact CG2-CE1 4.16Å; I147-F149 HydrophobicContact CG2-CE2 3.22Å; I147-F149 HydrophobicContact CG2-CG 4.36Å; I147-F149 HydrophobicContact CG2-CZ 3.48Å; I147-F149 VanDerWaalsContact CG2-CZ 3.48Å; I147-F149 PolarHBondContact O-N 2.91Å; I147-F149 VanDerWaalsContact O-N 3.1Å | ||
| 150 | P | 44.3 | Very low | 43.1 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -76.2 | 132.7 | -172.2 | 31.2 | -32.5 | 0 | 0 | 0 | 111.2 | ||||
| 151 | T | 45 | Very low | 42.6 | Very low | 128 Ų | 128 | 132 Ų | 132 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 70 | 93.2 | 148 | -43.2 | 0 | 0 | 0 | 0 | 116.9 | P153 | T151-P153 HydrophobicContact CG2-CG 4.49Š| ||
| 152 | D | 37.8 | Very low | 42.2 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | -127.2 | 119 | 140.7 | -162.1 | -1.1 | 0 | 0 | 0 | 108.9 | Y154 | D152-Y154 VanDerWaalsContact C-N 3.25Å; D152-Y154 PolarHBondContact O-N 3.2Å | ||
| 153 | P | 48.1 | Very low | 42.2 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 66% | 0.662 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 8.8 | -165.3 | -15.8 | 30.5 | 0 | 0 | 0 | 117.1 | T151 | T151-P153 HydrophobicContact CG2-CG 4.49Š|
| 154 | Y | 45.3 | Very low | 42 | Very low | 210 Ų | 210 | 137.2 Ų | 137.2 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.2 | 24.2 | -166.3 | -91.3 | -76.9 | 0 | 0 | 0 | 118.7 | D152 | D152-Y154 VanDerWaalsContact C-N 3.25Å; D152-Y154 PolarHBondContact O-N 3.2Å |
| 155 | S | 40.3 | Very low | 42.2 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -106.8 | 100.3 | 170.3 | -71.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 156 | S | 45.8 | Very low | 42 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -74.2 | 150.8 | 166.2 | -67.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 157 | S | 41.6 | Very low | 41.6 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | 89.5 | 133.5 | 175 | 85.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 158 | S | 39.4 | Very low | 41.8 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | cis | -144.4 | 141.4 | 28.1 | -80.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 159 | L | 49.8 | Very low | 41.5 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | trans | -66.1 | 147.4 | 177 | -66.6 | 153.6 | 0 | 0 | 0 | 111.7 | ||||
| 160 | H | 40.7 | Very low | 41.9 | Very low | 178 Ų | 178 | 133.6 Ų | 133.6 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | 93.3 | 73.6 | 159.2 | -45.2 | 117.4 | 0 | 0 | 0 | 117.9 | ||||
| 161 | S | 39.8 | Very low | 41.5 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | trans | -102.7 | 103.3 | 146.4 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 162 | H | 38.3 | Very low | 41.2 | Very low | 161 Ų | 161 | 142.2 Ų | 142.2 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | trans | -144.8 | 115.7 | 169.3 | -156.1 | -116.5 | 0 | 0 | 0 | 110.3 | ||||
| 163 | L | 37.3 | Very low | 41.3 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 58% | 0.581 | 78% | 0.776 | S | S | * | * | trans | 86.5 | 110.3 | 150.8 | -75.3 | -41.2 | 0 | 0 | 0 | 122.4 | ||||
| 164 | H | 40.9 | Very low | 40.9 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | 103.3 | 108.7 | 126.4 | -69.3 | -53.2 | 0 | 0 | 0 | 119.7 | |||||
| 165 | Q | 46.4 | Very low | 40.6 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -56.7 | 166.5 | 158.5 | -60.8 | -172.2 | -40.7 | 0 | 0 | 113.6 | ||||
| 166 | P | 38.1 | Very low | 40.6 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | -132.4 | 138.6 | 123.5 | 32.2 | -18.5 | 0 | 0 | 0 | 114.8 | |||||
| 167 | S | 34.5 | Very low | 40.4 | Very low | 87 Ų | 87 | 145.1 Ų | 145.1 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | trans | -0.5 | 143.3 | 158.9 | -163.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 168 | P | 43.9 | Very low | 40.2 | Very low | 127 Ų | 127 | 148.9 Ų | 148.9 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -95.1 | 111.3 | 162.9 | 34.4 | -22.7 | 0 | 0 | 0 | 111.5 | ||||
| 169 | D | 38.5 | Very low | 40 | Very low | 138 Ų | 138 | 151.1 Ų | 151.1 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | -107.1 | 119.9 | 166.9 | -91.9 | -58.4 | 0 | 0 | 0 | 112 | ||||
| 170 | T | 44 | Very low | 39.4 | Very low | 109 Ų | 109 | 150.5 Ų | 150.5 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | trans | 66.5 | 85.6 | 135.7 | -49.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 171 | W | 36 | Very low | 39.3 | Very low | 238 Ų | 238 | 151 Ų | 151 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | -160.7 | 94.9 | 139.5 | -73 | 99.9 | 0 | 0 | 0 | 111.3 | ||||
| 172 | H | 39 | Very low | 39.2 | Very low | 183 Ų | 183 | 152.3 Ų | 152.3 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | trans | -130.1 | 117.7 | 159 | -78.1 | -75.7 | 0 | 0 | 0 | 109.5 | ||||
| 173 | P | 40.1 | Very low | 39 | Very low | 118 Ų | 118 | 153.4 Ų | 153.4 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | -90.7 | 108.7 | 159 | -13 | 30.6 | 0 | 0 | 0 | 110.4 | ||||
| 174 | S | 38.1 | Very low | 39.6 | Very low | 100 Ų | 100 | 153.8 Ų | 153.8 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | -74.7 | 125.2 | 174.8 | -51 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 175 | H | 40.8 | Very low | 39.6 | Very low | 179 Ų | 179 | 157.2 Ų | 157.2 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | -56.7 | 131.8 | 169.4 | -74.3 | -89.6 | 0 | 0 | 0 | 112.1 | ||||
| 176 | H | 40 | Very low | 39 | Very low | 176 Ų | 176 | 154.4 Ų | 154.4 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | trans | -118.2 | 120.8 | 159.6 | -82.5 | 66.7 | 0 | 0 | 0 | 109.7 | ||||
| 177 | H | 40.6 | Very low | 39.2 | Very low | 166 Ų | 166 | 157 Ų | 157 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -67.1 | 143.5 | 168.8 | -82.6 | 32 | 0 | 0 | 0 | 110.9 | ||||
| 178 | H | 37.6 | Very low | 39.1 | Very low | 190 Ų | 190 | 156.4 Ų | 156.4 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | trans | -133.4 | 139.3 | 157.3 | -99.6 | 60.1 | 0 | 0 | 0 | 111.2 | ||||
| 179 | H | 36.3 | Very low | 38.6 | Very low | 162 Ų | 162 | 154.1 Ų | 154.1 | 75% | 0.75 | 80% | 0.801 | S | S | * | * | trans | -82.7 | 153.2 | -163.5 | -84.4 | -17.3 | 0 | 0 | 0 | 116.1 | ||||
| 180 | H | 36.5 | Very low | 38.5 | Very low | 135 Ų | 135 | 151.7 Ų | 151.7 | 63% | 0.625 | 80% | 0.801 | S | S | * | * | trans | 19.4 | 127.8 | 142.5 | -69.7 | -84.2 | 0 | 0 | 0 | 121.5 | H182 | H180-H182 AromaticContact CE1-NE2 3.77Å; H180-H182 AromaticContact ND1-CD2 3.66Å; H180-H182 AromaticContact ND1-NE2 3.21Å; H180-H182 PolarHBondContact ND1-NE2 3.38Å | ||
| 181 | H | 37.9 | Very low | 38.2 | Very low | 190 Ų | 190 | 154 Ų | 154 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | -138 | 119.2 | 140.1 | -89.9 | -67.5 | 0 | 0 | 0 | 111 | ||||
| 182 | H | 37.6 | Very low | 38.1 | Very low | 156 Ų | 156 | 148.1 Ų | 148.1 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -93 | 136.5 | 172.4 | -74.5 | -91.5 | 0 | 0 | 0 | 110 | H180 | H180-H182 AromaticContact CE1-NE2 3.77Å; H180-H182 AromaticContact ND1-CD2 3.66Å; H180-H182 AromaticContact ND1-NE2 3.21Å; H180-H182 PolarHBondContact ND1-NE2 3.38Å |
| 183 | H | 35.5 | Very low | 38 | Very low | 183 Ų | 183 | 143.6 Ų | 143.6 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -89 | 131.6 | 173.2 | -59.2 | -74.5 | 0 | 0 | 0 | 111.2 | ||
| 184 | P | 49.3 | Very low | 38 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 140.4 | 164.6 | 34 | -25.4 | 0 | 0 | 0 | 111.3 | ||
| 185 | Y | 40.8 | Very low | 37.7 | Very low | 236 Ų | 236 | 147.7 Ų | 147.7 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -57 | 135.7 | 166.8 | -88 | -100.1 | 0 | 0 | 0 | 111.5 | ||
| 186 | S | 34.7 | Very low | 37.4 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -126.7 | 118.7 | 159.4 | -86.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 187 | L | 41.5 | Very low | 37.4 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | trans | -76.9 | 132.6 | 167.5 | 177.4 | 73.7 | 0 | 0 | 0 | 109.5 | ||||
| 188 | G | 32.5 | Very low | 37 | Very low | 75 Ų | 75 | 142.4 Ų | 142.4 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | 120.4 | 112.7 | 152.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 189 | G | 33.7 | Very low | 37 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | 108.4 | 109.9 | 134.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 190 | A | 34.9 | Very low | 37.2 | Very low | 88 Ų | 88 | 142.6 Ų | 142.6 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | 97.2 | 108.2 | 140.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 191 | I | 38.7 | Very low | 37.4 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | 68.1 | 126.5 | 130.4 | 67.7 | -173.7 | 0 | 0 | 0 | 122.7 | ||||
| 192 | S | 33.3 | Very low | 37.7 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | 72.1 | 98.6 | 148.3 | 51.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 193 | A | 36.9 | Very low | 38.2 | Very low | 88 Ų | 88 | 135.2 Ų | 135.2 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | 165.6 | 117.9 | 97 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 194 | Q | 40.3 | Very low | 38.9 | Very low | 187 Ų | 187 | 134.2 Ų | 134.2 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | 57.9 | 100.1 | 143.8 | -49.4 | -172.8 | 23.9 | 0 | 0 | 117.5 | ||||
| 195 | S | 32 | Very low | 38.6 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | 71 | 101.1 | 100.3 | 176.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 196 | S | 35.1 | Very low | 39 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | 179.6 | 142.4 | 111.6 | -167.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 197 | A | 38.9 | Very low | 39.7 | Very low | 67 Ų | 67 | 138 Ų | 138 | 55% | 0.554 | 80% | 0.802 | S | S | * | * | trans | -77.9 | 154.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 198 | Y | 32.3 | Very low | 39.8 | Very low | 223 Ų | 223 | 132.9 Ų | 132.9 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | trans | 80.9 | 90.9 | 168.9 | -48.8 | -74.7 | 0 | 0 | 0 | 117.3 | R200 | Y198-R200 PolarHBondContact O-N 2.88Å; Y198-R200 VanDerWaalsContact O-N 3.13Å | ||
| 199 | S | 38.2 | Very low | 40.5 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 88% | 0.881 | 78% | 0.781 | S | S | * | * | trans | -67.9 | 100.7 | 158.2 | -15.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 200 | R | 39.6 | Very low | 41.7 | Very low | 230 Ų | 230 | 133.6 Ų | 133.6 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 124.3 | 168.8 | -164.5 | -175.7 | -171.6 | -153.8 | 2.9 | 108 | Y198 G202 | Y198-R200 PolarHBondContact O-N 2.88Å; Y198-R200 VanDerWaalsContact O-N 3.13Å; R200-G202 PolarHBondContact O-N 2.94Å; R200-G202 VanDerWaalsContact O-N 3.15Å |
| 201 | P | 42.3 | Very low | 42.6 | Very low | 114 Ų | 114 | 136 Ų | 136 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 117.8 | 170.5 | -22.6 | 34.1 | 0 | 0 | 0 | 109.8 | V203 | P201-V203 PolarHBondContact O-N 2.88Š|
| 202 | G | 42.9 | Very low | 43.1 | Very low | 66 Ų | 66 | 131.6 Ų | 131.6 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 119.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | R200 H204 | R200-G202 PolarHBondContact O-N 2.94Å; R200-G202 VanDerWaalsContact O-N 3.15Å; G202-H204 PolarHBondContact O-N 3.21Å |
| 203 | V | 48.8 | Very low | 44.4 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 89% | 0.891 | 76% | 0.755 | S | S | * | * | trans | -82.7 | 29.9 | 175.5 | -68 | 0 | 0 | 0 | 0 | 112.5 | P201 | P201-V203 PolarHBondContact O-N 2.88Š| ||
| 204 | H | 50.2 | Low | 45.4 | Very low | 162 Ų | 162 | 136 Ų | 136 | 75% | 0.75 | 75% | 0.752 | S | S | * | * | trans | -120.8 | 61.7 | -172.6 | -166.7 | -95.5 | 0 | 0 | 0 | 112.1 | G202 | G202-H204 PolarHBondContact O-N 3.21Š| ||
| 205 | E | 43.6 | Very low | 45.9 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | trans | -139.3 | 15.4 | 173.2 | -127.7 | 109.9 | -147.7 | 0 | 0 | 113.8 | ||||
| 206 | M | 49.1 | Very low | 47 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -101.7 | 0.9 | -179.3 | -147.2 | 179.4 | 144.3 | 0 | 0 | 114.4 | ||
| 207 | Y | 48.6 | Very low | 48 | Very low | 210 Ų | 210 | 131.1 Ų | 131.1 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | trans | -137.5 | 43.7 | 176 | -64.8 | -79.9 | 0 | 0 | 0 | 112.3 | A209 | Y207-A209 VanDerWaalsContact C-N 3.33Å; Y207-A209 PolarHBondContact O-N 3.2Å | ||
| 208 | G | 42.9 | Very low | 49 | Very low | 74 Ų | 74 | 135.1 Ų | 135.1 | 76% | 0.763 | 73% | 0.729 | S | S | * | * | trans | -86.4 | 72 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | A210 | G208-A210 PolarHBondContact O-N 3.4Š| ||
| 209 | A | 48.3 | Very low | 50.3 | Low | 61 Ų | 61 | 130.5 Ų | 130.5 | 50% | 0.504 | 72% | 0.719 | S | S | . | * | trans | -66 | 108.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y207 F211 | Y207-A209 VanDerWaalsContact C-N 3.33Å; Y207-A209 PolarHBondContact O-N 3.2Å; A209-F211 HydrophobicContact CB-CD2 3.48Å; A209-F211 VanDerWaalsContact CB-CD2 3.48Å; A209-F211 HydrophobicContact CB-CE2 3.19Å; A209-F211 HydrophobicContact CB-CG 4.4Å; A209-F211 HydrophobicContact CB-CZ 3.9Å; A209-F211 WeakPolarHBondContact O-CD2 3.37Å; A209-F211 PolarHBondContact O-N 3.11Å | ||
| 210 | A | 59.8 | Low | 51.2 | Low | 108 Ų | 108 | 129.5 Ų | 129.5 | 89% | 0.893 | 71% | 0.707 | S | S | * | * | trans | -68.3 | 79.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | G208 D212 | G208-A210 PolarHBondContact O-N 3.4Å; A210-D212 PolarHBondContact O-N 2.86Å | ||
| 211 | F | 52 | Low | 51.3 | Low | 139 Ų | 139 | 123.8 Ų | 123.8 | 61% | 0.61 | 70% | 0.7 | S | S | * | * | trans | -71.2 | 122 | 174.7 | -78.8 | -77.1 | 0 | 0 | 0 | 109.1 | A209 P213 L219 | A209-F211 HydrophobicContact CB-CD2 3.48Å; A209-F211 VanDerWaalsContact CB-CD2 3.48Å; A209-F211 HydrophobicContact CB-CE2 3.19Å; A209-F211 HydrophobicContact CB-CG 4.4Å; A209-F211 HydrophobicContact CB-CZ 3.9Å; A209-F211 WeakPolarHBondContact O-CD2 3.37Å; A209-F211 PolarHBondContact O-N 3.11Å; F211-P213 WeakPolarHBondContact O-CD 3.45Å; F211-L219 HydrophobicContact CD1-CD1 4.43Å; F211-L219 HydrophobicContact CE1-CD1 3.69Å; F211-L219 HydrophobicContact CZ-CD1 4.23Å | ||
| 212 | D | 50.9 | Low | 51.5 | Low | 65 Ų | 65 | 123 Ų | 123 | 35% | 0.348 | 70% | 0.697 | S | S | . | * | trans | -58.1 | 120.2 | 166.1 | 179 | -12.3 | 0 | 0 | 0 | 107.7 | A210 R214 Y215 | A210-D212 PolarHBondContact O-N 2.86Å; D212-R214 PolarHBondContact O-N 2.73Å; D212-R214 WeakPolarHBondContact OD1-CB 3.49Å; D212-R214 WeakPolarHBondContact OD1-CG 3.43Å; D212-R214 PolarHBondContact OD1-N 3.41Å; D212-R214 IonicContact OD1-NE 3.65Å; D212-R214 IonicContact OD2-CZ 3.53Å; D212-R214 IonicContact OD2-NE 2.73Å; D212-R214 PolarHBondContact OD2-NE 2.83Å; D212-R214 IonicContact OD2-NH2 3.3Å; D212-R214 PolarHBondContact OD2-NH2 2.97Å; D212-R214 VanDerWaalsContact OD2-NH2 3.09Å; D212-Y215 HydrophobicContact CB-CD2 4.12Å; D212-Y215 PolarHBondContact O-N 2.94Å | ||
| 213 | P | 58.9 | Low | 51.9 | Low | 116 Ų | 116 | 126.1 Ų | 126.1 | 75% | 0.753 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -13.2 | -177.9 | 21 | -30.9 | 0 | 0 | 0 | 113.3 | F211 Y215 | F211-P213 WeakPolarHBondContact O-CD 3.45Å; P213-Y215 VanDerWaalsContact C-N 3.31Å; P213-Y215 PolarHBondContact O-N 3.06Å |
| 214 | R | 58.3 | Low | 52 | Low | 176 Ų | 176 | 128.8 Ų | 128.8 | 66% | 0.664 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -11.5 | 176.3 | -60.8 | -171.9 | -56 | 141.3 | 5 | 114.9 | D212 | D212-R214 PolarHBondContact O-N 2.73Å; D212-R214 WeakPolarHBondContact OD1-CB 3.49Å; D212-R214 WeakPolarHBondContact OD1-CG 3.43Å; D212-R214 PolarHBondContact OD1-N 3.41Å; D212-R214 IonicContact OD1-NE 3.65Å; D212-R214 IonicContact OD2-CZ 3.53Å; D212-R214 IonicContact OD2-NE 2.73Å; D212-R214 PolarHBondContact OD2-NE 2.83Å; D212-R214 IonicContact OD2-NH2 3.3Å; D212-R214 PolarHBondContact OD2-NH2 2.97Å; D212-R214 VanDerWaalsContact OD2-NH2 3.09Å |
| 215 | Y | 52 | Low | 51.5 | Low | 144 Ų | 144 | 126.1 Ų | 126.1 | 57% | 0.565 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -121.2 | 7.7 | -177.4 | -62.4 | -78.6 | 0 | 0 | 0 | 114.3 | D212 P213 S217 | D212-Y215 HydrophobicContact CB-CD2 4.12Å; D212-Y215 PolarHBondContact O-N 2.94Å; P213-Y215 VanDerWaalsContact C-N 3.31Å; P213-Y215 PolarHBondContact O-N 3.06Å; Y215-S217 PolarHBondContact O-N 2.81Å; Y215-S217 VanDerWaalsContact O-N 3.16Å |
| 216 | S | 55.3 | Low | 51.1 | Low | 73 Ų | 73 | 126.3 Ų | 126.3 | 51% | 0.51 | 69% | 0.694 | S | S | . | * | G | 310 helix | trans | -67 | -13.1 | -179.1 | -174 | 0 | 0 | 0 | 0 | 114.5 | ||
| 217 | S | 55.6 | Low | 50.6 | Low | 105 Ų | 105 | 126.8 Ų | 126.8 | 73% | 0.734 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -84.2 | -10 | -173.9 | -45 | 0 | 0 | 0 | 0 | 114.6 | Y215 | Y215-S217 PolarHBondContact O-N 2.81Å; Y215-S217 VanDerWaalsContact O-N 3.16Å |
| 218 | L | 58.9 | Low | 50.5 | Low | 151 Ų | 151 | 127.6 Ų | 127.6 | 79% | 0.791 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -99.1 | -4.1 | -177.3 | -62.9 | 179.9 | 0 | 0 | 0 | 114 | ||
| 219 | L | 60.7 | Low | 50.2 | Low | 126 Ų | 126 | 132.5 Ų | 132.5 | 66% | 0.66 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -108.4 | 11.1 | -176.5 | -67.1 | 173.9 | 0 | 0 | 0 | 114 | F211 | F211-L219 HydrophobicContact CD1-CD1 4.43Å; F211-L219 HydrophobicContact CE1-CD1 3.69Å; F211-L219 HydrophobicContact CZ-CD1 4.23Å |
| 220 | V | 56.8 | Low | 49.5 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 64% | 0.642 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -94.7 | 122.6 | 170.7 | -171.6 | 0 | 0 | 0 | 0 | 108.6 | S222 | V220-S222 PolarHBondContact O-N 3.25Š|
| 221 | P | 42.4 | Very low | 48.2 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 71% | 0.714 | 71% | 0.712 | S | S | * | * | trans | -58.7 | 108.1 | 168.5 | -19.1 | 31 | 0 | 0 | 0 | 108.6 | V223 | P221-V223 VanDerWaalsContact C-N 3.29Å; P221-V223 PolarHBondContact O-N 2.87Å | ||
| 222 | S | 46 | Very low | 47.3 | Very low | 97 Ų | 97 | 132 Ų | 132 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | trans | -67 | 88.1 | 174.3 | 167.9 | 0 | 0 | 0 | 0 | 109.1 | V220 R224 | V220-S222 PolarHBondContact O-N 3.25Å; S222-R224 PolarHBondContact O-N 3.07Å | ||
| 223 | V | 51.2 | Low | 46.5 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | trans | -71.2 | 94.1 | 165.6 | -173.9 | 0 | 0 | 0 | 0 | 107.3 | P221 P225 | P221-V223 VanDerWaalsContact C-N 3.29Å; P221-V223 PolarHBondContact O-N 2.87Å; V223-P225 WeakPolarHBondContact O-CD 3.12Å | ||
| 224 | R | 51.6 | Low | 45.4 | Very low | 204 Ų | 204 | 134.3 Ų | 134.3 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | -80.9 | 122.4 | 166.3 | -84.8 | -179.3 | 174.3 | 171.6 | -1.9 | 108.7 | S222 H226 | S222-R224 PolarHBondContact O-N 3.07Å; R224-H226 PolarHBondContact O-N 3.21Å | ||
| 225 | P | 38 | Very low | 44.4 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | trans | -66.9 | 118.9 | 159.5 | -10.6 | 26.5 | 0 | 0 | 0 | 107.7 | V223 H227 | V223-P225 WeakPolarHBondContact O-CD 3.12Å; P225-H227 VanDerWaalsContact C-N 3.31Å; P225-H227 PolarHBondContact O-N 3.27Å | ||
| 226 | H | 36.8 | Very low | 44 | Very low | 187 Ų | 187 | 132 Ų | 132 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | -65.8 | 92.1 | 168.4 | -85.1 | -96.6 | 0 | 0 | 0 | 109 | R224 R228 | R224-H226 PolarHBondContact O-N 3.21Å; H226-R228 PolarHBondContact O-N 3.06Å | ||
| 227 | H | 38.8 | Very low | 42.9 | Very low | 174 Ų | 174 | 131.9 Ų | 131.9 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | -66 | 112.4 | 156.1 | -80.7 | -79 | 0 | 0 | 0 | 107.7 | P225 L229 | P225-H227 VanDerWaalsContact C-N 3.31Å; P225-H227 PolarHBondContact O-N 3.27Å; H227-L229 PolarHBondContact O-N 3.43Å | ||
| 228 | R | 44.8 | Very low | 42.4 | Very low | 228 Ų | 228 | 132.6 Ų | 132.6 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -49.4 | 127.4 | 173.2 | -80.7 | -170.8 | 171.3 | -142.5 | 2 | 110.9 | H226 | H226-R228 PolarHBondContact O-N 3.06Š| ||
| 229 | L | 36.4 | Very low | 41.1 | Very low | 176 Ų | 176 | 130.7 Ų | 130.7 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -108.3 | 98 | 151.7 | -66.2 | 176.5 | 0 | 0 | 0 | 107.1 | H227 | H227-L229 PolarHBondContact O-N 3.43Š| ||
| 230 | S | 33.7 | Very low | 39.8 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | -101.6 | 116.5 | 162.5 | -168.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 231 | S | 33.7 | Very low | 39 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -83.1 | 139.1 | 170.2 | -67 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 232 | G | 32.8 | Very low | 39.5 | Very low | 74 Ų | 74 | 130.7 Ų | 130.7 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | 124.5 | 89 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 233 | S | 34.5 | Very low | 38.9 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 36.3 | 108 | 130.5 | 178.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 234 | S | 35 | Very low | 38 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | 173.7 | 118.3 | 115.1 | 59.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 235 | V | 36.5 | Very low | 37.3 | Very low | 143 Ų | 143 | 129.6 Ų | 129.6 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | 36.8 | 140.2 | 144.5 | -178.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 236 | P | 43.7 | Very low | 37 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | -96.9 | 152.7 | -165.8 | 37.1 | -28.8 | 0 | 0 | 0 | 115.2 | ||||
| 237 | G | 32 | Very low | 36.7 | Very low | 71 Ų | 71 | 123.5 Ų | 123.5 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | -146.6 | 138.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 238 | P | 45.1 | Very low | 36.7 | Very low | 119 Ų | 119 | 125 Ų | 125 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -98.6 | 165 | -169.5 | 38.2 | -33.6 | 0 | 0 | 0 | 114 | ||||
| 239 | S | 33.2 | Very low | 36.4 | Very low | 112 Ų | 112 | 118.4 Ų | 118.4 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | 74.3 | 141 | 165.2 | 82.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 240 | T | 32 | Very low | 36.2 | Very low | 127 Ų | 127 | 119.5 Ų | 119.5 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | cis | -158.2 | 145.8 | 24.2 | 44.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 241 | S | 41.8 | Very low | 36.4 | Very low | 106 Ų | 106 | 120.9 Ų | 120.9 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | -67.1 | -173.4 | 155.7 | 56.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 242 | P | 51.3 | Low | 36.3 | Very low | 109 Ų | 109 | 118 Ų | 118 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | cis | -135.8 | 178.2 | -1.5 | 25.2 | 2.5 | 0 | 0 | 0 | 112.6 | ||||
| 243 | C | 33.2 | Very low | 36.4 | Very low | 114 Ų | 114 | 121.6 Ų | 121.6 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | 166.1 | 129.3 | 96.4 | -73.8 | 0 | 0 | 0 | 0 | 106 | |||||
| 244 | D | 33.5 | Very low | 36.5 | Very low | 140 Ų | 140 | 119.3 Ų | 119.3 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | 91.6 | 134.4 | 64.1 | -151.1 | -116.4 | 0 | 0 | 0 | 114.1 | |||||
| 245 | L | 36.2 | Very low | 36.6 | Very low | 154 Ų | 154 | 120.2 Ų | 120.2 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | 76.6 | 124.1 | 172.5 | -46.7 | 174.2 | 0 | 0 | 0 | 116.5 | ||||
| 246 | G | 32.7 | Very low | 36.6 | Very low | 83 Ų | 83 | 116.8 Ų | 116.8 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | cis | 100.8 | 91.8 | 33.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 247 | G | 30.7 | Very low | 36.4 | Very low | 82 Ų | 82 | 122.5 Ų | 122.5 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -170.1 | 119.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 248 | K | 36.8 | Very low | 36.7 | Very low | 205 Ų | 205 | 124.6 Ų | 124.6 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | -98.1 | 125.4 | -170.3 | 171.5 | 178.2 | 170.4 | 176.3 | 0 | 110.4 | ||||
| 249 | A | 39 | Very low | 36.2 | Very low | 89 Ų | 89 | 121.7 Ų | 121.7 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | 57.3 | 118.2 | 150.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 250 | E | 32.7 | Very low | 36.2 | Very low | 200 Ų | 200 | 121 Ų | 121 | 94% | 0.935 | 79% | 0.793 | S | S | * | * | trans | -155.3 | 148.3 | 134.6 | 51.2 | -170.8 | 96.2 | 0 | 0 | 111.6 | ||||
| 251 | S | 38.7 | Very low | 36.6 | Very low | 131 Ų | 131 | 124.5 Ų | 124.5 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -83.1 | 139.2 | -168.9 | 167 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 252 | G | 31.4 | Very low | 36.6 | Very low | 61 Ų | 61 | 124 Ų | 124 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | trans | 171.7 | 106.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 253 | T | 34.4 | Very low | 35.8 | Very low | 150 Ų | 150 | 122.5 Ų | 122.5 | 92% | 0.92 | 80% | 0.804 | S | S | * | * | trans | 70.2 | 114.8 | 136.5 | -39.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 254 | G | 36.1 | Very low | 36 | Very low | 71 Ų | 71 | 121.9 Ų | 121.9 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | 83.7 | 88.4 | 142.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | A256 | G254-A256 VanDerWaalsContact C-N 3.3Å; G254-A256 PolarHBondContact O-N 3.26Å; G254-A256 VanDerWaalsContact O-N 3.1Å | ||
| 255 | S | 38 | Very low | 36.1 | Very low | 129 Ų | 129 | 118.7 Ų | 118.7 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -79.1 | 90.3 | 154.7 | -172.5 | 0 | 0 | 0 | 0 | 108.3 | W257 | S255-W257 PolarHBondContact O-N 3.15Š| ||
| 256 | A | 36.8 | Very low | 36.2 | Very low | 71 Ų | 71 | 115.5 Ų | 115.5 | 59% | 0.587 | 80% | 0.804 | S | S | * | * | trans | -66.1 | 118 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | G254 S258 | G254-A256 VanDerWaalsContact C-N 3.3Å; G254-A256 PolarHBondContact O-N 3.26Å; G254-A256 VanDerWaalsContact O-N 3.1Å; A256-S258 PolarHBondContact O-N 3.27Å | ||
| 257 | W | 38.1 | Very low | 36.6 | Very low | 248 Ų | 248 | 120 Ų | 120 | 94% | 0.939 | 80% | 0.802 | S | S | * | * | trans | -60.9 | 78 | 159.7 | 64.8 | -40.1 | 0 | 0 | 0 | 110.4 | S255 G259 | S255-W257 PolarHBondContact O-N 3.15Å; W257-G259 VanDerWaalsContact C-N 3.28Å; W257-G259 PolarHBondContact O-N 3.19Å | ||
| 258 | S | 38.8 | Very low | 37.3 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -78.5 | 83 | 165.7 | -71.3 | 0 | 0 | 0 | 0 | 108.9 | A256 | A256-S258 PolarHBondContact O-N 3.27Š| ||
| 259 | G | 34.2 | Very low | 37.3 | Very low | 58 Ų | 58 | 116.9 Ų | 116.9 | 60% | 0.598 | 79% | 0.79 | S | S | * | * | trans | -96.7 | 88.4 | 164 | 0 | 0 | 0 | 0 | 0 | 109.7 | W257 F261 | W257-G259 VanDerWaalsContact C-N 3.28Å; W257-G259 PolarHBondContact O-N 3.19Å; G259-F261 PolarHBondContact O-N 2.83Å | ||
| 260 | A | 33.9 | Very low | 37.6 | Very low | 97 Ų | 97 | 119.3 Ų | 119.3 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -70.1 | 109.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | A262 | A260-A262 VanDerWaalsContact C-N 3.32Å; A260-A262 PolarHBondContact O-N 3.44Å | ||
| 261 | F | 40.2 | Very low | 38 | Very low | 201 Ų | 201 | 116.2 Ų | 116.2 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | -82.7 | 80.7 | 163.6 | 43.3 | -87.1 | 0 | 0 | 0 | 108.6 | G259 | G259-F261 PolarHBondContact O-N 2.83Š| ||
| 262 | A | 42 | Very low | 38.5 | Very low | 97 Ų | 97 | 117.1 Ų | 117.1 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | -91.7 | 106.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | A260 | A260-A262 VanDerWaalsContact C-N 3.32Å; A260-A262 PolarHBondContact O-N 3.44Å | ||
| 263 | G | 35.4 | Very low | 39.1 | Very low | 77 Ų | 77 | 121 Ų | 121 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | 74.4 | 96.3 | 137.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 264 | A | 36 | Very low | 39.7 | Very low | 100 Ų | 100 | 120.5 Ų | 120.5 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | -156.7 | 91.4 | 128.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | A266 | A264-A266 VanDerWaalsContact C-N 3.33Å; A264-A266 PolarHBondContact O-N 3.35Å | |||
| 265 | G | 37 | Very low | 40.2 | Very low | 74 Ų | 74 | 121.3 Ų | 121.3 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | -62.9 | 99 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | E267 | G265-E267 PolarHBondContact O-N 3.41Š| ||
| 266 | A | 38.5 | Very low | 40.4 | Very low | 87 Ų | 87 | 122.9 Ų | 122.9 | 72% | 0.719 | 77% | 0.773 | S | S | * | * | trans | -73.2 | 86.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 105.8 | A264 I268 | A264-A266 VanDerWaalsContact C-N 3.33Å; A264-A266 PolarHBondContact O-N 3.35Å; A266-I268 PolarHBondContact O-N 3.1Å | ||
| 267 | E | 40.1 | Very low | 40.8 | Very low | 176 Ų | 176 | 130.7 Ų | 130.7 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -45.9 | 109.1 | 160 | 58.8 | -146.9 | 135.6 | 0 | 0 | 108.3 | G265 G269 | G265-E267 PolarHBondContact O-N 3.41Å; E267-G269 PolarHBondContact O-N 2.85Å | ||
| 268 | I | 44.8 | Very low | 41.1 | Very low | 157 Ų | 157 | 130 Ų | 130 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | trans | -72.5 | 79.2 | 166.8 | -45.7 | 114.8 | 0 | 0 | 0 | 105 | A266 L270 | A266-I268 PolarHBondContact O-N 3.1Å; I268-L270 VanDerWaalsContact C-N 3.28Å; I268-L270 PolarHBondContact O-N 3.19Å | ||
| 269 | G | 37.9 | Very low | 41.2 | Very low | 65 Ų | 65 | 129.7 Ų | 129.7 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | trans | -67.4 | 89.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | E267 N271 | E267-G269 PolarHBondContact O-N 2.85Å; G269-N271 VanDerWaalsContact C-N 3.25Å; G269-N271 PolarHBondContact O-N 3.36Å | ||
| 270 | L | 44.3 | Very low | 41.3 | Very low | 140 Ų | 140 | 130.6 Ų | 130.6 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | trans | -67.4 | 95.7 | 160.2 | -66.2 | 178.3 | 0 | 0 | 0 | 106.7 | I268 I272 | I268-L270 VanDerWaalsContact C-N 3.28Å; I268-L270 PolarHBondContact O-N 3.19Å; L270-I272 PolarHBondContact O-N 3.15Å | ||
| 271 | N | 41.1 | Very low | 41.7 | Very low | 136 Ų | 136 | 135 Ų | 135 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -57.5 | 101.2 | 167.8 | 179 | -12.3 | 0 | 0 | 0 | 108.6 | G269 D273 | G269-N271 VanDerWaalsContact C-N 3.25Å; G269-N271 PolarHBondContact O-N 3.36Å; N271-D273 PolarHBondContact OD1-N 3.42Å; N271-D273 VanDerWaalsContact OD1-N 3.08Å | ||
| 272 | I | 48.8 | Very low | 41.5 | Very low | 150 Ų | 150 | 131.5 Ų | 131.5 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -103.9 | 63.6 | 170 | -53.9 | 163.1 | 0 | 0 | 0 | 107 | L270 | L270-I272 PolarHBondContact O-N 3.15Š| ||
| 273 | D | 45.3 | Very low | 41.3 | Very low | 141 Ų | 141 | 132.9 Ų | 132.9 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | trans | -125.4 | 66.5 | 167.6 | -90.5 | -66.8 | 0 | 0 | 0 | 109.7 | N271 | N271-D273 PolarHBondContact OD1-N 3.42Å; N271-D273 VanDerWaalsContact OD1-N 3.08Å | ||
| 274 | T | 46.5 | Very low | 41.4 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -154.9 | 129.1 | 155.3 | -58 | 0 | 0 | 0 | 0 | 109.3 | ||
| 275 | A | 45.6 | Very low | 41.5 | Very low | 89 Ų | 89 | 133.7 Ų | 133.7 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | trans | 93.9 | 56 | 170.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 276 | L | 43 | Very low | 41.4 | Very low | 161 Ų | 161 | 134 Ų | 134 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -134.8 | 70.1 | 139.9 | -87.2 | 172.7 | 0 | 0 | 0 | 109.6 | ||||
| 277 | R | 45.8 | Very low | 41.5 | Very low | 235 Ų | 235 | 134.1 Ų | 134.1 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | -113.8 | 50.6 | 168.1 | -76.2 | -72.7 | -168.5 | 170 | 1.2 | 110.3 | ||||
| 278 | Y | 44.5 | Very low | 41.4 | Very low | 233 Ų | 233 | 129.4 Ų | 129.4 | 91% | 0.914 | 82% | 0.817 | S | S | * | * | trans | -156.2 | 82.6 | 162.3 | -97 | -76.6 | 0 | 0 | 0 | 110.1 | ||||
| 279 | S | 39.3 | Very low | 41.4 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -167.4 | 112 | 154.9 | 51.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 280 | G | 37.8 | Very low | 41.6 | Very low | 77 Ų | 77 | 130.7 Ų | 130.7 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | trans | 81.3 | 70 | 145.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | C282 | G280-C282 VanDerWaalsContact C-N 3.32Å; G280-C282 PolarHBondContact O-N 3.13Å | ||
| 281 | L | 41.6 | Very low | 41.5 | Very low | 189 Ų | 189 | 131.7 Ų | 131.7 | 99% | 0.99 | 83% | 0.827 | S | S | * | * | trans | -75.3 | 91.5 | 147.2 | -96.1 | 153.9 | 0 | 0 | 0 | 107.8 | ||||
| 282 | C | 35.7 | Very low | 41.3 | Very low | 127 Ų | 127 | 133 Ų | 133 | 86% | 0.858 | 83% | 0.829 | S | S | * | * | trans | -120.3 | 118.8 | 161.7 | -109.1 | 0 | 0 | 0 | 0 | 109.6 | G280 | G280-C282 VanDerWaalsContact C-N 3.32Å; G280-C282 PolarHBondContact O-N 3.13Å | ||
| 283 | S | 38.9 | Very low | 41.3 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 88% | 0.881 | 82% | 0.824 | S | S | * | * | trans | -40.3 | 146.7 | 176.6 | -138.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 284 | S | 37.4 | Very low | 40.9 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 81% | 0.811 | 86% | 0.855 | S | S | * | * | 158.9 | 114.5 | 126.6 | -168.5 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 285 | G | 38.3 | Very low | 40.7 | Very low | 78 Ų | 78 | 133.6 Ų | 133.6 | 80% | 0.804 | 85% | 0.854 | S | S | * | * | 86.2 | 101.3 | 59.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 286 | G | 34.9 | Very low | 40.4 | Very low | 82 Ų | 82 | 135.9 Ų | 135.9 | 85% | 0.845 | 86% | 0.861 | S | S | * | * | trans | 145.5 | 96.8 | 169 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 287 | G | 40.7 | Very low | 40.2 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 91% | 0.907 | 86% | 0.862 | S | S | * | * | trans | -71.2 | 159.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 288 | G | 37.3 | Very low | 39.9 | Very low | 78 Ų | 78 | 128.6 Ų | 128.6 | 80% | 0.804 | 86% | 0.86 | S | S | * | * | trans | 161.4 | 95.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 289 | S | 44.4 | Very low | 39.6 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 80% | 0.804 | 86% | 0.857 | S | S | * | * | trans | -44.4 | 135.9 | 163.7 | -166.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 290 | T | 42.2 | Very low | 39.6 | Very low | 133 Ų | 133 | 122.9 Ų | 122.9 | 82% | 0.816 | 86% | 0.863 | S | S | * | * | 173.6 | 120.9 | 122.6 | 37.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 291 | M | 41.4 | Very low | 39.8 | Very low | 162 Ų | 162 | 126.2 Ų | 126.2 | 80% | 0.798 | 87% | 0.868 | S | S | * | * | trans | 17.6 | 129.2 | 138.3 | -77.6 | 179 | 79.6 | 0 | 0 | 122.7 | ||||
| 292 | Q | 37.7 | Very low | 39.6 | Very low | 164 Ų | 164 | 121.4 Ų | 121.4 | 77% | 0.766 | 86% | 0.858 | S | S | * | * | 87 | 161.2 | 128.9 | -96.9 | -157.6 | -72.4 | 0 | 0 | 121.2 | |||||
| 293 | P | 48.3 | Very low | 40 | Very low | 101 Ų | 101 | 120.9 Ų | 120.9 | 66% | 0.656 | 86% | 0.858 | S | S | * | * | trans | -115.2 | 168.2 | -132.1 | 39.2 | -22 | 0 | 0 | 0 | 113.7 | ||||
| 294 | C | 38.3 | Very low | 40.1 | Very low | 208 Ų | 208 | 120.5 Ų | 120.5 | 100% | 1.405 | 86% | 0.856 | S | S | * | * | trans | -158.1 | 0 | 143.3 | -95.4 | 0 | 0 | 0 | 0 | 107 |
Retrieved 294 of 294 residues in 162.4 ms
(Link to these results)