| 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 | A | 40.8 | Very low | 33.9 | Very low | 158 Ų | 158 | 161.2 Ų | 161.2 | 100% | 1.306 | 90% | 0.902 | S | S | * | * | 0 | 104.6 | 0 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 2 | M | 29.4 | Very low | 33.5 | Very low | 192 Ų | 192 | 158.3 Ų | 158.3 | 95% | 0.946 | 89% | 0.891 | S | S | * | * | trans | -72.6 | 135.7 | 178.1 | -83.2 | -82.9 | -157.4 | 0 | 0 | 109.7 | ||||
| 3 | S | 38.6 | Very low | 33.8 | Very low | 116 Ų | 116 | 157.8 Ų | 157.8 | 81% | 0.811 | 87% | 0.867 | S | S | * | * | trans | -91.9 | 111.7 | 176.7 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 4 | E | 33.9 | Very low | 33.5 | Very low | 192 Ų | 192 | 154.6 Ų | 154.6 | 90% | 0.897 | 86% | 0.858 | S | S | * | * | trans | -86.5 | 112.8 | 173.7 | -70.8 | -158.7 | 129.6 | 0 | 0 | 110.9 | ||||
| 5 | K | 37.9 | Very low | 33.3 | Very low | 204 Ų | 204 | 158.2 Ų | 158.2 | 89% | 0.887 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 117.9 | 164.7 | -95.8 | 176.1 | 173.1 | 172.1 | 0 | 109 | ||
| 6 | K | 32.6 | Very low | 33.3 | Very low | 202 Ų | 202 | 155.1 Ų | 155.1 | 88% | 0.878 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 127.8 | 172 | -151.6 | 170.3 | -173.4 | 175.1 | 0 | 110 | ||
| 7 | P | 34.8 | Very low | 33.1 | Very low | 120 Ų | 120 | 149.8 Ų | 149.8 | 78% | 0.779 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 143.7 | -178.3 | 30.5 | -31.3 | 0 | 0 | 0 | 111.9 | ||
| 8 | R | 33.6 | Very low | 33.3 | Very low | 250 Ų | 250 | 149.8 Ų | 149.8 | 94% | 0.943 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 121.4 | 170.3 | -64.8 | 179.4 | -138.6 | -121.6 | 0.4 | 108.7 | A10 | R8-A10 PolarHBondContact O-N 3.36Š|
| 9 | G | 29.3 | Very low | 33.9 | Very low | 81 Ų | 81 | 148.1 Ų | 148.1 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 118 | 169 | 0 | 0 | 0 | 0 | 0 | 110 | D11 | G9-D11 PolarHBondContact O-N 3.09Š|
| 10 | A | 33.5 | Very low | 33.8 | Very low | 89 Ų | 89 | 144.1 Ų | 144.1 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | -86.5 | 94.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | R8 T12 | R8-A10 PolarHBondContact O-N 3.36Å; A10-T12 PolarHBondContact O-N 3.44Å | ||
| 11 | D | 28.1 | Very low | 34.2 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | trans | -81.8 | 95 | 168.1 | -112.8 | -29.5 | 0 | 0 | 0 | 108.7 | G9 R13 | G9-D11 PolarHBondContact O-N 3.09Å; D11-R13 PolarHBondContact O-N 3.32Å | ||
| 12 | T | 29.8 | Very low | 34 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | -83.5 | 102.7 | 173.9 | 39.4 | 0 | 0 | 0 | 0 | 108.4 | A10 | A10-T12 PolarHBondContact O-N 3.44Š| ||
| 13 | R | 37.2 | Very low | 34.1 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 57% | 0.574 | 75% | 0.75 | S | S | * | * | trans | -45.6 | 132.6 | 166.2 | -176.8 | 177.4 | -177.3 | -174.3 | -1.2 | 109.7 | D11 K15 E265 | D11-R13 PolarHBondContact O-N 3.32Å; R13-K15 PolarHBondContact O-N 3.44Å; R13-K15 VanDerWaalsContact O-N 3.09Å; R13-E265 IonicContact CZ-OE1 2.8Å; R13-E265 IonicContact NH1-OE1 2.59Å; R13-E265 PolarHBondContact NH1-OE1 2.7Å | ||
| 14 | P | 29.2 | Very low | 33.9 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | trans | -62.3 | 119 | 172.1 | 24.3 | -29.8 | 0 | 0 | 0 | 108.1 | S16 | P14-S16 VanDerWaalsContact C-N 3.27Å; P14-S16 PolarHBondContact O-N 3.24Å | ||
| 15 | K | 30.6 | Very low | 33.8 | Very low | 208 Ų | 208 | 131.1 Ų | 131.1 | 90% | 0.904 | 73% | 0.729 | S | S | * | * | trans | -64 | 92.1 | 167 | -81 | 175.2 | 174.7 | 169.4 | 0 | 107.4 | R13 G17 | R13-K15 PolarHBondContact O-N 3.44Å; R13-K15 VanDerWaalsContact O-N 3.09Å; K15-G17 VanDerWaalsContact C-N 3.31Å; K15-G17 PolarHBondContact O-N 3.36Å | ||
| 16 | S | 33.9 | Very low | 33.8 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | trans | -64.6 | 100.5 | 156.7 | 46.7 | 0 | 0 | 0 | 0 | 106.8 | P14 | P14-S16 VanDerWaalsContact C-N 3.27Å; P14-S16 PolarHBondContact O-N 3.24Å | ||
| 17 | G | 30.1 | Very low | 34 | Very low | 65 Ų | 65 | 125.9 Ų | 125.9 | 67% | 0.67 | 71% | 0.707 | S | S | * | * | trans | -58.1 | 141.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | K15 | K15-G17 VanDerWaalsContact C-N 3.31Å; K15-G17 PolarHBondContact O-N 3.36Å | ||
| 18 | L | 36 | Very low | 34 | Very low | 151 Ų | 151 | 128.3 Ų | 128.3 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | trans | 74.6 | 64.4 | 170.4 | -89.1 | 70.1 | 0 | 0 | 0 | 117.1 | S20 | L18-S20 PolarHBondContact O-N 3.12Š| ||
| 19 | R | 44.1 | Very low | 34.1 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 44% | 0.442 | 70% | 0.697 | S | S | . | * | -82.7 | 60.4 | 125 | -101.9 | -167.4 | -84.4 | -98.3 | 8.9 | 108.7 | W21 D264 | R19-W21 VanDerWaalsContact C-N 3.35Å; R19-W21 PolarHBondContact O-N 3.13Å; R19-D264 WeakPolarHBondContact CB-OD1 3.37Å; R19-D264 WeakPolarHBondContact CD-OD1 3.4Å; R19-D264 IonicContact NE-OD1 3.07Å; R19-D264 PolarHBondContact NE-OD1 2.95Å; R19-D264 PolarHBondContact NH2-O 2.92Å | |||
| 20 | S | 31.9 | Very low | 34.4 | Very low | 67 Ų | 67 | 125.5 Ų | 125.5 | 47% | 0.469 | 68% | 0.679 | S | S | . | * | trans | -69.7 | 100.8 | 167.1 | 55.5 | 0 | 0 | 0 | 0 | 107 | L18 S22 | L18-S20 PolarHBondContact O-N 3.12Å; S20-S22 PolarHBondContact O-N 3.04Å | ||
| 21 | W | 43.2 | Very low | 34.3 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 49% | 0.492 | 69% | 0.686 | S | S | . | * | trans | -63.7 | 76.7 | 158.1 | -79.3 | 18.5 | 0 | 0 | 0 | 107.9 | R19 V238 S261 A262 | R19-W21 VanDerWaalsContact C-N 3.35Å; R19-W21 PolarHBondContact O-N 3.13Å; W21-V238 HydrophobicContact CH2-CG1 4.33Å; W21-V238 HydrophobicContact CZ3-CG1 4.41Å; W21-S261 VanDerWaalsContact CZ2-O 3.26Å; W21-S261 WeakPolarHBondContact CZ2-O 3.49Å; W21-A262 VanDerWaalsContact CH2-CA 3.44Å; W21-A262 HydrophobicContact CH2-CB 3.83Å; W21-A262 HydrophobicContact CZ3-CB 3.97Å | ||
| 22 | S | 35.8 | Very low | 34.6 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 72% | 0.72 | 69% | 0.685 | S | S | * | * | trans | -158.2 | 81.6 | 174.8 | -83.6 | 0 | 0 | 0 | 0 | 108.1 | S20 | S20-S22 PolarHBondContact O-N 3.04Š| ||
| 23 | A | 31.8 | Very low | 34.6 | Very low | 90 Ų | 90 | 137.7 Ų | 137.7 | 74% | 0.744 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -169.1 | -22.5 | 152.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 24 | D | 33.9 | Very low | 34.2 | Very low | 111 Ų | 111 | 136 Ų | 136 | 59% | 0.594 | 70% | 0.702 | S | S | * | * | trans | -120.6 | 54.3 | 179.3 | -78.4 | -42.9 | 0 | 0 | 0 | 111.7 | Y26 | D24-Y26 HydrophobicContact CB-CD2 4.11Å; D24-Y26 HydrophobicContact CB-CE2 3.75Å; D24-Y26 PolarHBondContact O-N 3.39Å; D24-Y26 WeakPolarHBondContact OD1-CE2 3.38Å; D24-Y26 PolarHBondContact OD1-OH 3.15Å | ||
| 25 | S | 31.9 | Very low | 34.4 | Very low | 97 Ų | 97 | 142 Ų | 142 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | trans | -73.2 | 83 | 158.1 | 49.2 | 0 | 0 | 0 | 0 | 108.2 | I27 | S25-I27 PolarHBondContact O-N 2.94Š| ||
| 26 | Y | 38.4 | Very low | 34.2 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 67% | 0.671 | 70% | 0.703 | S | S | * | * | trans | -68.9 | 85.8 | 160.5 | -68.6 | -79.1 | 0 | 0 | 0 | 107.2 | D24 W28 | D24-Y26 HydrophobicContact CB-CD2 4.11Å; D24-Y26 HydrophobicContact CB-CE2 3.75Å; D24-Y26 PolarHBondContact O-N 3.39Å; D24-Y26 WeakPolarHBondContact OD1-CE2 3.38Å; D24-Y26 PolarHBondContact OD1-OH 3.15Å; Y26-W28 PolarHBondContact O-N 3.42Å | ||
| 27 | I | 36 | Very low | 33.9 | Very low | 124 Ų | 124 | 137 Ų | 137 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | trans | -60 | 101.8 | 178.6 | -62.3 | -169.4 | 0 | 0 | 0 | 108 | S25 R29 | S25-I27 PolarHBondContact O-N 2.94Å; I27-R29 VanDerWaalsContact C-N 3.28Å; I27-R29 HydrophobicContact CG2-CG 3.73Å; I27-R29 PolarHBondContact O-N 3.24Å | ||
| 28 | W | 36.1 | Very low | 34 | Very low | 172 Ų | 172 | 145.1 Ų | 145.1 | 65% | 0.652 | 71% | 0.711 | S | S | * | * | trans | -62.4 | 95.1 | 155.8 | -171.1 | -80.1 | 0 | 0 | 0 | 107.3 | Y26 G30 F333 | Y26-W28 PolarHBondContact O-N 3.42Å; W28-G30 PolarHBondContact O-N 2.98Å; W28-F333 HydrophobicContact CZ3-CD1 4.44Å | ||
| 29 | R | 35.7 | Very low | 33.7 | Very low | 226 Ų | 226 | 145.6 Ų | 145.6 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | trans | -74.9 | 79.7 | 167.1 | -87.4 | -148.1 | -167.4 | -88.9 | 4.3 | 108.8 | I27 K31 | I27-R29 VanDerWaalsContact C-N 3.28Å; I27-R29 HydrophobicContact CG2-CG 3.73Å; I27-R29 PolarHBondContact O-N 3.24Å; R29-K31 PolarHBondContact O-N 2.96Å | ||
| 30 | G | 35.4 | Very low | 32.9 | Very low | 45 Ų | 45 | 143.4 Ų | 143.4 | 46% | 0.464 | 73% | 0.728 | S | S | . | * | trans | -60.2 | 123.5 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | W28 K32 | W28-G30 PolarHBondContact O-N 2.98Å; G30-K32 PolarHBondContact O-N 3.3Å | ||
| 31 | K | 31.9 | Very low | 32.8 | Very low | 201 Ų | 201 | 146.1 Ų | 146.1 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | -68.4 | 92.4 | -179.9 | -168.5 | 165.6 | -178.7 | 170.2 | 0 | 109.1 | R29 R33 | R29-K31 PolarHBondContact O-N 2.96Å; K31-R33 PolarHBondContact O-N 3.13Å | ||
| 32 | K | 33.6 | Very low | 32.3 | Very low | 205 Ų | 205 | 145.4 Ų | 145.4 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | trans | -52.9 | 105.1 | 171.8 | -104 | 176.6 | 178 | 172.6 | 0 | 109.5 | G30 S34 | G30-K32 PolarHBondContact O-N 3.3Å; K32-S34 PolarHBondContact O-N 2.9Å | ||
| 33 | R | 30.6 | Very low | 32.6 | Very low | 235 Ų | 235 | 146 Ų | 146 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | trans | -80.6 | 94.5 | 158.6 | -75.2 | -173 | 175.6 | -145.3 | 1.5 | 106.5 | K31 R35 | K31-R33 PolarHBondContact O-N 3.13Å; R33-R35 PolarHBondContact O-N 2.85Å; R33-R35 VanDerWaalsContact O-N 3.13Å | ||
| 34 | S | 28.8 | Very low | 32.6 | Very low | 116 Ų | 116 | 147.4 Ų | 147.4 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | -64.1 | 108 | 167.6 | 51.8 | 0 | 0 | 0 | 0 | 108.8 | K32 | K32-S34 PolarHBondContact O-N 2.9Š| ||
| 35 | R | 31.7 | Very low | 32.3 | Very low | 241 Ų | 241 | 146 Ų | 146 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | -90.4 | 108 | 157.1 | -80.5 | -178.3 | 169 | 161.9 | -4.3 | 106.7 | R33 S37 | R33-R35 PolarHBondContact O-N 2.85Å; R33-R35 VanDerWaalsContact O-N 3.13Å; R35-S37 PolarHBondContact O-N 3.07Å | ||
| 36 | S | 27.7 | Very low | 32.3 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -67.5 | 109.5 | 170 | 53.1 | 0 | 0 | 0 | 0 | 109 | R38 | S36-R38 PolarHBondContact O-N 3.36Š| ||
| 37 | S | 28 | Very low | 32 | Very low | 103 Ų | 103 | 147.4 Ų | 147.4 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -74.1 | 111.4 | 161.1 | 170.6 | 0 | 0 | 0 | 0 | 107.8 | R35 | R35-S37 PolarHBondContact O-N 3.07Š| ||
| 38 | R | 31.5 | Very low | 31.8 | Very low | 235 Ų | 235 | 146.1 Ų | 146.1 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | -86.7 | 110.6 | 164.4 | -78.6 | 172.5 | 92.5 | 174.4 | 4.7 | 106.6 | S36 G40 | S36-R38 PolarHBondContact O-N 3.36Å; R38-G40 PolarHBondContact O-N 3.08Å | ||
| 39 | N | 28.8 | Very low | 31.5 | Very low | 160 Ų | 160 | 145.8 Ų | 145.8 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -67.5 | 117.5 | 160.5 | -79.4 | -7.1 | 0 | 0 | 0 | 107.9 | ||||
| 40 | G | 27.6 | Very low | 31.2 | Very low | 71 Ų | 71 | 138.5 Ų | 138.5 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | -127.8 | 118 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108 | R38 | R38-G40 PolarHBondContact O-N 3.08Š| ||
| 41 | S | 30.5 | Very low | 31 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -60.6 | 141.5 | -179.1 | -34.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 42 | S | 32 | Very low | 31 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -64 | 157.4 | 163 | -45.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 43 | P | 42 | Very low | 30.9 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | -145.1 | 154.5 | 88.6 | 37.9 | -21 | 0 | 0 | 0 | 116.1 | |||||
| 44 | S | 31.5 | Very low | 30.8 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | 27.7 | 126.6 | 147.5 | 60.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 45 | G | 29.1 | Very low | 30.8 | Very low | 82 Ų | 82 | 131.7 Ų | 131.7 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -175.1 | 127.2 | 160 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 46 | S | 32.2 | Very low | 30.7 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -77.6 | 150.3 | -167.4 | 38.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 47 | E | 30.4 | Very low | 30.6 | Very low | 189 Ų | 189 | 134.7 Ų | 134.7 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | 67.7 | 145.5 | 140.4 | -58.2 | -74.6 | 113.1 | 0 | 0 | 122.7 | ||||
| 48 | A | 32 | Very low | 30.6 | Very low | 96 Ų | 96 | 134.2 Ų | 134.2 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | 109.4 | 95.1 | 152.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 49 | D | 29.9 | Very low | 30.4 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | 16.6 | 146.9 | 130.7 | -150.9 | 15.2 | 0 | 0 | 0 | 122.8 | ||||
| 50 | G | 29.8 | Very low | 30.4 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | 158.9 | 102.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 51 | S | 31.9 | Very low | 30.4 | Very low | 96 Ų | 96 | 129.5 Ų | 129.5 | 67% | 0.671 | 80% | 0.801 | S | S | * | * | trans | -78 | 163.8 | -178 | -62.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 52 | E | 31.5 | Very low | 30.3 | Very low | 182 Ų | 182 | 129.2 Ų | 129.2 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | 70.1 | 150.5 | 148.6 | -72.1 | 167.2 | 173.3 | 0 | 0 | 118.4 | ||||
| 53 | E | 30.9 | Very low | 30.3 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 72% | 0.724 | 81% | 0.805 | S | S | * | * | cis | -165.7 | 159 | 5.6 | -130.4 | -162.3 | 148 | 0 | 0 | 109 | ||||
| 54 | L | 29.4 | Very low | 29.8 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | 34.4 | 140.3 | 146.5 | -65.5 | 174.4 | 0 | 0 | 0 | 124.3 | ||||
| 55 | G | 27.4 | Very low | 29.7 | Very low | 71 Ų | 71 | 146.2 Ų | 146.2 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | 165.8 | 82 | 152 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 56 | M | 29.7 | Very low | 29.8 | Very low | 181 Ų | 181 | 154.3 Ų | 154.3 | 89% | 0.892 | 82% | 0.817 | S | S | * | * | trans | 47.3 | 117.4 | 138.3 | -67.4 | 168 | 88.1 | 0 | 0 | 123.4 | ||||
| 57 | R | 27.3 | Very low | 29.6 | Very low | 231 Ų | 231 | 155.8 Ų | 155.8 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | 40 | 127.6 | 122.7 | -83.1 | -178.6 | 179.1 | 179.1 | 0.9 | 121.6 | |||||
| 58 | S | 27.5 | Very low | 29.7 | Very low | 93 Ų | 93 | 158.2 Ų | 158.2 | 65% | 0.65 | 81% | 0.813 | S | S | * | * | 113.6 | 129.5 | 115.9 | -89.9 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 59 | T | 26.6 | Very low | 29.6 | Very low | 121 Ų | 121 | 162.7 Ų | 162.7 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | 78.5 | 116.7 | 134.9 | 56.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 60 | S | 28.6 | Very low | 29.4 | Very low | 117 Ų | 117 | 160.4 Ų | 160.4 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | 104.7 | 126.8 | 119.7 | 73.4 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 61 | C | 28.4 | Very low | 29.3 | Very low | 129 Ų | 129 | 162.2 Ų | 162.2 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | trans | -63.5 | 149.9 | 170 | -58.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 62 | S | 28.7 | Very low | 29.1 | Very low | 120 Ų | 120 | 163.7 Ų | 163.7 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | trans | -139.5 | 117.1 | 143.2 | 61.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 63 | R | 31.6 | Very low | 29 | Very low | 246 Ų | 246 | 160.8 Ų | 160.8 | 93% | 0.928 | 82% | 0.82 | S | S | * | * | trans | -71.1 | 123.6 | 162.1 | -86.4 | 174.7 | 156.4 | -175.2 | -4.2 | 108.7 | ||||
| 64 | R | 31 | Very low | 29.1 | Very low | 240 Ų | 240 | 157.7 Ų | 157.7 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | trans | -150.6 | 107.1 | 146.2 | -71 | -164.5 | -176.8 | -168.4 | 0.6 | 108.1 | ||||
| 65 | R | 29.2 | Very low | 29.2 | Very low | 220 Ų | 220 | 159 Ų | 159 | 83% | 0.83 | 83% | 0.828 | S | S | * | * | 48.4 | 98.9 | 95.2 | -164.3 | -179.2 | -171.5 | -134.5 | 0.2 | 112 | |||||
| 66 | R | 31.7 | Very low | 29.4 | Very low | 251 Ų | 251 | 159.3 Ų | 159.3 | 95% | 0.947 | 83% | 0.831 | S | S | * | * | trans | -144.3 | 140.4 | 152.3 | -132.6 | 176 | -158.3 | 164.2 | 5.8 | 112.4 | ||||
| 67 | E | 28.2 | Very low | 29.6 | Very low | 140 Ų | 140 | 158.6 Ų | 158.6 | 65% | 0.654 | 83% | 0.831 | S | S | * | * | trans | -80.4 | 160.6 | -162.3 | -69.3 | 167.7 | 156.6 | 0 | 0 | 112.8 | ||||
| 68 | R | 33 | Very low | 29.8 | Very low | 241 Ų | 241 | 153.4 Ų | 153.4 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | -60.5 | 132.6 | 168.1 | -62.4 | 173.3 | 171 | 113.6 | -1.3 | 109.7 | ||||
| 69 | K | 29.3 | Very low | 30.2 | Very low | 189 Ų | 189 | 156.7 Ų | 156.7 | 82% | 0.822 | 84% | 0.84 | S | S | * | * | trans | -141.5 | 111.2 | 151.7 | -116.7 | 131.5 | 176.6 | 176 | 0 | 108.8 | ||||
| 70 | C | 24.9 | Very low | 30.4 | Very low | 117 Ų | 117 | 159.6 Ų | 159.6 | 79% | 0.791 | 85% | 0.847 | S | S | * | * | trans | -82.1 | 127 | 160 | -71.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 71 | S | 29.4 | Very low | 31.1 | Very low | 112 Ų | 112 | 159.3 Ų | 159.3 | 78% | 0.783 | 85% | 0.852 | S | S | * | * | trans | -120.8 | 120.9 | 165 | -50.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 72 | C | 26.1 | Very low | 31.6 | Very low | 127 Ų | 127 | 156.5 Ų | 156.5 | 86% | 0.858 | 85% | 0.845 | S | S | * | * | trans | -88.8 | 138.6 | 169.1 | -25.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 73 | S | 29.2 | Very low | 31.7 | Very low | 121 Ų | 121 | 158.2 Ų | 158.2 | 85% | 0.846 | 84% | 0.844 | S | S | * | * | trans | -141.9 | 120.3 | 157.7 | 44.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 74 | A | 33.1 | Very low | 32.4 | Very low | 89 Ų | 89 | 153.9 Ų | 153.9 | 74% | 0.736 | 85% | 0.845 | S | S | * | * | trans | -84 | 154.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 75 | L | 33.4 | Very low | 32.9 | Very low | 182 Ų | 182 | 147.7 Ų | 147.7 | 95% | 0.953 | 83% | 0.83 | S | S | * | * | 157.2 | 138.7 | 129.6 | -82.9 | 170 | 0 | 0 | 0 | 111.1 | |||||
| 76 | G | 30.7 | Very low | 33.4 | Very low | 78 Ų | 78 | 139.8 Ų | 139.8 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | 133 | 89 | 155.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 77 | D | 33.6 | Very low | 33.7 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | -66.8 | 140.8 | 162.3 | -92.4 | -37.3 | 0 | 0 | 0 | 111.7 | ||||
| 78 | S | 31.4 | Very low | 34.3 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -174.1 | 125.6 | 137.6 | -82 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 79 | L | 35.8 | Very low | 34.9 | Very low | 162 Ų | 162 | 128.6 Ų | 128.6 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -62.8 | 138.4 | 177.5 | -74.5 | 132.2 | 0 | 0 | 0 | 112.5 | ||||
| 80 | M | 32 | Very low | 35.4 | Very low | 182 Ų | 182 | 128 Ų | 128 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | -165.7 | 148.6 | 126.8 | -84.8 | -41.4 | 137.3 | 0 | 0 | 110.5 | |||||
| 81 | A | 43.2 | Very low | 36.3 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | trans | -66 | 130.9 | -167 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 82 | G | 37.2 | Very low | 37.3 | Very low | 70 Ų | 70 | 124.2 Ų | 124.2 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | 155.7 | 130.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 83 | D | 32.4 | Very low | 38.5 | Very low | 155 Ų | 155 | 126 Ų | 126 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | trans | 74.7 | 78.1 | 174.5 | -78.9 | -22.9 | 0 | 0 | 0 | 119.9 | D85 | D83-D85 VanDerWaalsContact C-N 3.33Å; D83-D85 PolarHBondContact O-N 3.38Å | ||
| 84 | V | 45.8 | Very low | 39.6 | Very low | 155 Ų | 155 | 131 Ų | 131 | 94% | 0.939 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 60.4 | 161.6 | -176.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 85 | D | 40.9 | Very low | 41.1 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 59% | 0.594 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.1 | -4.1 | 165.2 | -146.7 | 9.9 | 0 | 0 | 0 | 114.7 | D83 | D83-D85 VanDerWaalsContact C-N 3.33Å; D83-D85 PolarHBondContact O-N 3.38Å |
| 86 | G | 39.9 | Very low | 42.9 | Very low | 53 Ų | 53 | 126.3 Ų | 126.3 | 55% | 0.546 | 72% | 0.72 | S | S | . | * | S | Bend | trans | -87.9 | -26.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 87 | V | 37.2 | Very low | 44.4 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -90.1 | -26.9 | -166.9 | -178.2 | 0 | 0 | 0 | 0 | 113.1 | R89 | V87-R89 PolarHBondContact O-N 3.33Š|
| 88 | C | 41.2 | Very low | 45.5 | Very low | 96 Ų | 96 | 128.1 Ų | 128.1 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -73.2 | -24 | -178.9 | -87.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 89 | R | 45.4 | Very low | 47.2 | Very low | 178 Ų | 178 | 127 Ų | 127 | 67% | 0.672 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -75.6 | -26.1 | -176.5 | -68.1 | -171.6 | -175.6 | -169.9 | 3.5 | 113.9 | V87 H93 | V87-R89 PolarHBondContact O-N 3.33Å; R89-H93 PolarHBondContact O-ND1 3.03Å; R89-H93 VanDerWaalsContact O-ND1 3.09Å |
| 90 | K | 40.6 | Very low | 49 | Very low | 176 Ų | 176 | 124.5 Ų | 124.5 | 77% | 0.765 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -79.4 | -25.2 | 179.2 | -73 | 178.5 | 179.8 | 171.6 | 0 | 112.9 | ||
| 91 | A | 44 | Very low | 50.5 | Low | 57 Ų | 57 | 122.7 Ų | 122.7 | 47% | 0.471 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -75.4 | -22.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 92 | L | 50.4 | Low | 51.6 | Low | 93 Ų | 93 | 121.8 Ų | 121.8 | 49% | 0.487 | 63% | 0.628 | S | S | . | * | G | 310 helix | trans | -83.8 | -15.9 | -179.3 | -66.4 | 173.5 | 0 | 0 | 0 | 114.1 | R94 | L92-R94 VanDerWaalsContact C-N 3.34Š|
| 93 | H | 50.1 | Low | 52.8 | Low | 165 Ų | 165 | 122.1 Ų | 122.1 | 76% | 0.764 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -82.4 | -9 | 179.3 | -79.2 | 82.6 | 0 | 0 | 0 | 113.8 | R89 | R89-H93 PolarHBondContact O-ND1 3.03Å; R89-H93 VanDerWaalsContact O-ND1 3.09Å |
| 94 | R | 52.3 | Low | 54.1 | Low | 224 Ų | 224 | 117.2 Ų | 117.2 | 85% | 0.845 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -102.5 | 0.6 | 178.9 | -72.7 | -168.7 | 172.3 | -124.1 | 2 | 114.8 | L92 | L92-R94 VanDerWaalsContact C-N 3.34Š|
| 95 | R | 65.7 | Low | 54.8 | Low | 108 Ų | 108 | 113.9 Ų | 113.9 | 41% | 0.408 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -87.3 | 131.8 | -177.2 | -61.6 | -172.3 | -171.1 | -178.7 | 4.8 | 111.2 | Q99 K100 D103 | R95-Q99 HydrophobicContact CB-CB 4.26Å; R95-K100 HydrophobicContact CB-CG 4.28Å; R95-K100 WeakPolarHBondContact O-CE 3.32Å; R95-D103 IonicContact NH1-OD2 3Å; R95-D103 PolarHBondContact NH1-OD2 3.45Å |
| 96 | S | 71.3 | Confident | 55.5 | Low | 65 Ų | 65 | 111.6 Ų | 111.6 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | trans | -62.3 | 152.2 | 174.7 | 80.3 | 0 | 0 | 0 | 0 | 110.6 | R98 Q99 K100 | S96-R98 PolarHBondContact O-N 3.33Å; S96-R98 VanDerWaalsContact O-N 3.13Å; S96-Q99 WeakPolarHBondContact O-CB 3.31Å; S96-Q99 PolarHBondContact O-N 3.14Å; S96-Q99 PolarHBondContact OG-N 3.21Å; S96-K100 PolarHBondContact O-N 3.43Å; S96-K100 VanDerWaalsContact O-N 3.15Å | ||
| 97 | L | 61.3 | Low | 56.3 | Low | 149 Ų | 149 | 117.1 Ų | 117.1 | 78% | 0.78 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -55.5 | -32.6 | 179 | -165.9 | 138.6 | 0 | 0 | 0 | 111.9 | K100 F101 | L97-K100 PolarHBondContact O-N 3.49Å; L97-F101 PolarHBondContact O-N 2.99Å |
| 98 | R | 57 | Low | 56.8 | Low | 134 Ų | 134 | 115.8 Ų | 115.8 | 51% | 0.506 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65 | -38.2 | 174.9 | -165 | 178.9 | -172.7 | -65 | -16.8 | 113 | S96 Q102 K127 | S96-R98 PolarHBondContact O-N 3.33Å; S96-R98 VanDerWaalsContact O-N 3.13Å; R98-Q102 VanDerWaalsContact NH1-NE2 3.12Å; R98-Q102 WeakPolarHBondContact O-CG 3.36Å; R98-Q102 PolarHBondContact O-N 3.48Å; R98-Q102 VanDerWaalsContact O-N 3.12Å; R98-K127 VanDerWaalsContact NH2-NZ 3.2Å |
| 99 | Q | 66.7 | Low | 57 | Low | 99 Ų | 99 | 118.8 Ų | 118.8 | 46% | 0.463 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.9 | -42.1 | 177.1 | -152.9 | 95.7 | 21.3 | 0 | 0 | 110.9 | R95 S96 F101 Q102 D103 | R95-Q99 HydrophobicContact CB-CB 4.26Å; S96-Q99 WeakPolarHBondContact O-CB 3.31Å; S96-Q99 PolarHBondContact O-N 3.14Å; S96-Q99 PolarHBondContact OG-N 3.21Å; Q99-F101 VanDerWaalsContact C-N 3.3Å; Q99-F101 PolarHBondContact O-N 3.35Å; Q99-Q102 PolarHBondContact O-N 2.91Å; Q99-D103 PolarHBondContact O-N 3.39Å |
| 100 | K | 75.1 | Confident | 56.8 | Low | 109 Ų | 109 | 115.8 Ų | 115.8 | 47% | 0.474 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.6 | -39 | 177.2 | -65.9 | -179.1 | 179.5 | -177.7 | 0 | 111.7 | R95 S96 L97 A104 | R95-K100 HydrophobicContact CB-CG 4.28Å; R95-K100 WeakPolarHBondContact O-CE 3.32Å; S96-K100 PolarHBondContact O-N 3.43Å; S96-K100 VanDerWaalsContact O-N 3.15Å; L97-K100 PolarHBondContact O-N 3.49Å; K100-A104 WeakPolarHBondContact O-CB 3.2Å; K100-A104 PolarHBondContact O-N 3.07Å |
| 101 | F | 63.2 | Low | 56.8 | Low | 145 Ų | 145 | 115.9 Ų | 115.9 | 64% | 0.636 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.8 | -42 | 176 | -157.1 | -90.7 | 0 | 0 | 0 | 111.7 | L97 Q99 A104 V105 | L97-F101 PolarHBondContact O-N 2.99Å; Q99-F101 VanDerWaalsContact C-N 3.3Å; Q99-F101 PolarHBondContact O-N 3.35Å; F101-A104 PolarHBondContact O-N 3.09Å; F101-V105 HydrophobicContact CD1-CG2 3.82Å; F101-V105 HydrophobicContact CE1-CG2 3.72Å; F101-V105 WeakPolarHBondContact O-CG2 3.45Å; F101-V105 PolarHBondContact O-N 3.24Å |
| 102 | Q | 66.3 | Low | 56.7 | Low | 92 Ų | 92 | 120.6 Ų | 120.6 | 43% | 0.43 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.6 | -40.4 | 177.2 | -72.9 | -179.6 | -47 | 0 | 0 | 112.7 | R98 Q99 A104 V105 G106 | R98-Q102 VanDerWaalsContact NH1-NE2 3.12Å; R98-Q102 WeakPolarHBondContact O-CG 3.36Å; R98-Q102 PolarHBondContact O-N 3.48Å; R98-Q102 VanDerWaalsContact O-N 3.12Å; Q99-Q102 PolarHBondContact O-N 2.91Å; Q102-A104 VanDerWaalsContact C-N 3.33Å; Q102-V105 PolarHBondContact O-N 3.32Å; Q102-G106 PolarHBondContact O-N 3.42Å |
| 103 | D | 61.2 | Low | 56.2 | Low | 76 Ų | 76 | 121.2 Ų | 121.2 | 41% | 0.406 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64.6 | -37.8 | 175.5 | -72 | -10.9 | 0 | 0 | 0 | 111.4 | R95 Q99 Q107 | R95-D103 IonicContact NH1-OD2 3Å; R95-D103 PolarHBondContact NH1-OD2 3.45Å; Q99-D103 PolarHBondContact O-N 3.39Å; D103-Q107 VanDerWaalsContact O-CG 3.31Å; D103-Q107 WeakPolarHBondContact O-CG 3.49Å; D103-Q107 PolarHBondContact O-N 3.42Å |
| 104 | A | 60.7 | Low | 55.5 | Low | 52 Ų | 52 | 120 Ų | 120 | 43% | 0.43 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68.6 | -44.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K100 F101 Q102 G106 Q107 C108 | K100-A104 WeakPolarHBondContact O-CB 3.2Å; K100-A104 PolarHBondContact O-N 3.07Å; F101-A104 PolarHBondContact O-N 3.09Å; Q102-A104 VanDerWaalsContact C-N 3.33Å; A104-G106 VanDerWaalsContact C-N 3.25Å; A104-G106 PolarHBondContact O-N 3.35Å; A104-Q107 PolarHBondContact O-N 3.47Å; A104-C108 PolarHBondContact O-N 3.31Å; A104-C108 PolarHBondContact O-SG 2.99Å |
| 105 | V | 60.6 | Low | 55.2 | Low | 86 Ų | 86 | 113.3 Ų | 113.3 | 52% | 0.521 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.6 | -32.8 | 179.1 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | F101 Q102 Q107 C108 | F101-V105 HydrophobicContact CD1-CG2 3.82Å; F101-V105 HydrophobicContact CE1-CG2 3.72Å; F101-V105 WeakPolarHBondContact O-CG2 3.45Å; F101-V105 PolarHBondContact O-N 3.24Å; Q102-V105 PolarHBondContact O-N 3.32Å; V105-Q107 VanDerWaalsContact C-N 3.29Å; V105-Q107 PolarHBondContact O-N 3.12Å; V105-C108 PolarHBondContact O-N 3.16Å |
| 106 | G | 56.1 | Low | 54 | Low | 63 Ų | 63 | 111.7 Ų | 111.7 | 65% | 0.649 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.8 | -18.2 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | Q102 A104 | Q102-G106 PolarHBondContact O-N 3.42Å; A104-G106 VanDerWaalsContact C-N 3.25Å; A104-G106 PolarHBondContact O-N 3.35Å |
| 107 | Q | 55.3 | Low | 52.8 | Low | 168 Ų | 168 | 114.3 Ų | 114.3 | 79% | 0.785 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -91.8 | -10.9 | 177.7 | -66.2 | -108 | -24.7 | 0 | 0 | 112.8 | D103 A104 V105 L109 | D103-Q107 VanDerWaalsContact O-CG 3.31Å; D103-Q107 WeakPolarHBondContact O-CG 3.49Å; D103-Q107 PolarHBondContact O-N 3.42Å; A104-Q107 PolarHBondContact O-N 3.47Å; V105-Q107 VanDerWaalsContact C-N 3.29Å; V105-Q107 PolarHBondContact O-N 3.12Å; Q107-L109 VanDerWaalsContact C-N 3.27Å; Q107-L109 PolarHBondContact O-N 3.43Å |
| 108 | C | 47.8 | Very low | 52.1 | Low | 97 Ų | 97 | 117 Ų | 117 | 66% | 0.655 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -82.6 | 7.8 | -177.3 | -65.3 | 0 | 0 | 0 | 0 | 114.6 | A104 V105 | A104-C108 PolarHBondContact O-N 3.31Å; A104-C108 PolarHBondContact O-SG 2.99Å; V105-C108 PolarHBondContact O-N 3.16Å |
| 109 | L | 46.4 | Very low | 51.2 | Low | 158 Ų | 158 | 116.2 Ų | 116.2 | 83% | 0.827 | 66% | 0.662 | S | S | * | * | trans | -126.9 | 91.3 | 171.8 | -70.9 | 172.4 | 0 | 0 | 0 | 110.3 | Q107 L111 | Q107-L109 VanDerWaalsContact C-N 3.27Å; Q107-L109 PolarHBondContact O-N 3.43Å; L109-L111 PolarHBondContact O-N 2.92Å | ||
| 110 | P | 40.3 | Very low | 49.9 | Very low | 116 Ų | 116 | 120.8 Ų | 120.8 | 75% | 0.753 | 68% | 0.68 | S | S | * | * | trans | -89.2 | 91.8 | 174.4 | 33.5 | -27.6 | 0 | 0 | 0 | 109.5 | ||||
| 111 | L | 40.3 | Very low | 48.1 | Very low | 177 Ų | 177 | 120.4 Ų | 120.4 | 93% | 0.927 | 69% | 0.691 | S | S | * | * | trans | -132.6 | 90.4 | 154.4 | -70.1 | 177.9 | 0 | 0 | 0 | 108.4 | L109 | L109-L111 PolarHBondContact O-N 2.92Š| ||
| 112 | R | 42.5 | Very low | 47.1 | Very low | 157 Ų | 157 | 119.2 Ų | 119.2 | 59% | 0.592 | 70% | 0.695 | S | S | * | * | trans | -127.6 | 122.9 | 160.6 | -154.6 | -177.1 | -171.3 | 152.6 | 7.9 | 108.6 | S116 R118 | R112-S116 VanDerWaalsContact CZ-O 3.23Å; R112-S116 PolarHBondContact NH2-O 2.93Å; R112-S116 PolarHBondContact NH2-OG 2.87Å; R112-R118 PolarHBondContact NH2-O 3.41Å; R112-R118 VanDerWaalsContact NH2-O 3.14Å | ||
| 113 | P | 40.3 | Very low | 46 | Very low | 105 Ų | 105 | 121.4 Ų | 121.4 | 68% | 0.682 | 71% | 0.71 | S | S | * | * | trans | -73.4 | 153.1 | 164.1 | 8.8 | 4.4 | 0 | 0 | 0 | 110 | G115 | P113-G115 PolarHBondContact O-N 2.87Š| ||
| 114 | P | 36 | Very low | 44.9 | Very low | 141 Ų | 141 | 127.1 Ų | 127.1 | 92% | 0.916 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -69.6 | 125 | -178.5 | 28.3 | -31.5 | 0 | 0 | 0 | 110.2 | ||
| 115 | G | 45.5 | Very low | 44 | Very low | 83 Ų | 83 | 135.3 Ų | 135.3 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | trans | 143.2 | 6.7 | 170 | 0 | 0 | 0 | 0 | 0 | 118.9 | P113 | P113-G115 PolarHBondContact O-N 2.87Š| ||
| 116 | S | 41 | Very low | 43.1 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 51% | 0.51 | 76% | 0.756 | S | S | . | * | trans | -115.8 | 116.2 | -177.2 | 172.8 | 0 | 0 | 0 | 0 | 112.7 | R112 | R112-S116 VanDerWaalsContact CZ-O 3.23Å; R112-S116 PolarHBondContact NH2-O 2.93Å; R112-S116 PolarHBondContact NH2-OG 2.87Å | ||
| 117 | S | 46.2 | Very low | 42.7 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | -100.4 | 57.1 | 178.2 | 54.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 118 | R | 46 | Very low | 42.7 | Very low | 207 Ų | 207 | 141.6 Ų | 141.6 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | trans | -136.6 | 141.6 | 167.8 | -67.2 | -169.8 | -179.9 | -165.6 | 0.5 | 112.6 | R112 | R112-R118 PolarHBondContact NH2-O 3.41Å; R112-R118 VanDerWaalsContact NH2-O 3.14Å | ||
| 119 | P | 38.8 | Very low | 42.9 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | trans | -76.1 | 139.5 | 178.2 | 30.2 | -32 | 0 | 0 | 0 | 111.5 | S121 | P119-S121 PolarHBondContact O-N 3.1Š| ||
| 120 | F | 38.3 | Very low | 43.4 | Very low | 194 Ų | 194 | 143.7 Ų | 143.7 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | trans | -71.8 | 113.6 | 178.8 | -149.2 | -95.2 | 0 | 0 | 0 | 109.3 | V122 | F120-V122 HydrophobicContact CD1-CG2 4.12Å; F120-V122 PolarHBondContact O-N 3.41Å | ||
| 121 | S | 37.6 | Very low | 44 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | -85.2 | 102.5 | 175 | -68.4 | 0 | 0 | 0 | 0 | 109.4 | P119 L123 | P119-S121 PolarHBondContact O-N 3.1Å; S121-L123 VanDerWaalsContact C-N 3.25Å; S121-L123 PolarHBondContact O-N 2.97Å; S121-L123 VanDerWaalsContact O-N 3.08Å | ||
| 122 | V | 42.5 | Very low | 44.7 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | -82.5 | 72.6 | 172.2 | -159.1 | 0 | 0 | 0 | 0 | 108.8 | F120 | F120-V122 HydrophobicContact CD1-CG2 4.12Å; F120-V122 PolarHBondContact O-N 3.41Å | ||
| 123 | L | 41.8 | Very low | 45.5 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 73% | 0.728 | 73% | 0.728 | S | S | * | * | trans | -115.9 | 123.9 | 167.2 | -71.2 | 173.4 | 0 | 0 | 0 | 108.5 | S121 | S121-L123 VanDerWaalsContact C-N 3.25Å; S121-L123 PolarHBondContact O-N 2.97Å; S121-L123 VanDerWaalsContact O-N 3.08Å | ||
| 124 | F | 39.8 | Very low | 46.2 | Very low | 196 Ų | 196 | 136 Ų | 136 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | trans | 85.3 | 54.3 | 174.8 | -50.2 | -75.3 | 0 | 0 | 0 | 118.5 | S126 | F124-S126 PolarHBondContact O-N 2.85Š| ||
| 125 | W | 41 | Very low | 47.1 | Very low | 224 Ų | 224 | 132.7 Ų | 132.7 | 85% | 0.848 | 69% | 0.687 | S | S | * | * | trans | -78.5 | 100.9 | 144.2 | -176 | -77.1 | 0 | 0 | 0 | 108.2 | K127 | W125-K127 PolarHBondContact O-N 2.92Š| ||
| 126 | S | 41 | Very low | 47.5 | Very low | 88 Ų | 88 | 135.8 Ų | 135.8 | 62% | 0.615 | 68% | 0.681 | S | S | * | * | trans | -59.9 | 112.1 | 171.5 | -121 | 0 | 0 | 0 | 0 | 108.8 | F124 R128 | F124-S126 PolarHBondContact O-N 2.85Å; S126-R128 PolarHBondContact O-N 3.17Å | ||
| 127 | K | 48.8 | Very low | 48.5 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 68% | 0.683 | 68% | 0.676 | S | S | * | * | trans | -71.2 | 70.9 | 171.6 | -71.1 | 179.4 | 178.4 | 171.5 | 0 | 110.1 | R98 W125 | R98-K127 VanDerWaalsContact NH2-NZ 3.2Å; W125-K127 PolarHBondContact O-N 2.92Å | ||
| 128 | R | 55.1 | Low | 49.2 | Very low | 203 Ų | 203 | 137.5 Ų | 137.5 | 77% | 0.766 | 67% | 0.673 | S | S | * | * | trans | -108.8 | 125 | 162.4 | -80.5 | -162.8 | -103.7 | -171 | -4.2 | 109.5 | S126 I130 | S126-R128 PolarHBondContact O-N 3.17Å; R128-I130 PolarHBondContact O-N 3.46Å | ||
| 129 | K | 51.9 | Low | 50.2 | Low | 209 Ų | 209 | 136 Ų | 136 | 91% | 0.909 | 67% | 0.672 | S | S | * | * | trans | -82.4 | 104.8 | 173.6 | -164.9 | 178.7 | -177.2 | -174 | 0 | 105.7 | H131 | K129-H131 PolarHBondContact O-N 3.37Š| ||
| 130 | I | 57.3 | Low | 51.9 | Low | 90 Ų | 90 | 132.1 Ų | 132.1 | 46% | 0.462 | 65% | 0.647 | S | S | . | * | trans | -73.4 | 119.3 | -179.6 | -58.8 | 174.2 | 0 | 0 | 0 | 107.3 | R128 E134 L135 F142 | R128-I130 PolarHBondContact O-N 3.46Å; I130-E134 WeakPolarHBondContact CA-OE2 3.4Å; I130-E134 HydrophobicContact CG2-CB 4.1Å; I130-L135 HydrophobicContact CG2-CD1 4.29Å; I130-F142 HydrophobicContact CD1-CE1 4.35Å; I130-F142 HydrophobicContact CD1-CZ 4.42Å | ||
| 131 | H | 52.4 | Low | 53.6 | Low | 131 Ų | 131 | 126.3 Ų | 126.3 | 61% | 0.606 | 63% | 0.629 | S | S | * | * | trans | -80 | 144.4 | 175.1 | -166.5 | -107.5 | 0 | 0 | 0 | 108.9 | K129 S133 E134 | K129-H131 PolarHBondContact O-N 3.37Å; H131-S133 PolarHBondContact ND1-OG 3.04Å; H131-S133 PolarHBondContact O-N 2.83Å; H131-E134 WeakPolarHBondContact O-CB 3.37Å; H131-E134 PolarHBondContact O-N 3.35Å | ||
| 132 | V | 54.8 | Low | 55.4 | Low | 114 Ų | 114 | 123.9 Ų | 123.9 | 69% | 0.691 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -57 | -27 | -177.8 | 177.6 | 0 | 0 | 0 | 0 | 112 | E134 L135 | V132-E134 VanDerWaalsContact C-N 3.3Å; V132-E134 PolarHBondContact O-N 3.36Å; V132-L135 WeakPolarHBondContact O-CB 3.43Å; V132-L135 PolarHBondContact O-N 2.72Å |
| 133 | S | 58.7 | Low | 56.9 | Low | 71 Ų | 71 | 121.6 Ų | 121.6 | 50% | 0.497 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.1 | -22 | 173.3 | 66.6 | 0 | 0 | 0 | 0 | 114.7 | H131 L135 M136 | H131-S133 PolarHBondContact ND1-OG 3.04Å; H131-S133 PolarHBondContact O-N 2.83Å; S133-L135 VanDerWaalsContact C-N 3.3Å; S133-M136 PolarHBondContact O-N 2.78Å |
| 134 | E | 56 | Low | 58.2 | Low | 79 Ų | 79 | 121.2 Ų | 121.2 | 37% | 0.369 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -73.5 | -22.9 | 172.8 | -74 | -175.6 | 142.1 | 0 | 0 | 112.3 | I130 H131 V132 M136 Q137 | I130-E134 WeakPolarHBondContact CA-OE2 3.4Å; I130-E134 HydrophobicContact CG2-CB 4.1Å; H131-E134 WeakPolarHBondContact O-CB 3.37Å; H131-E134 PolarHBondContact O-N 3.35Å; V132-E134 VanDerWaalsContact C-N 3.3Å; V132-E134 PolarHBondContact O-N 3.36Å; E134-M136 VanDerWaalsContact C-N 3.33Å; E134-Q137 WeakPolarHBondContact O-CG 3.39Å |
| 135 | L | 54.3 | Low | 59.6 | Low | 71 Ų | 71 | 121.1 Ų | 121.1 | 37% | 0.372 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -77.7 | -18.2 | 174.7 | -94.5 | 132.7 | 0 | 0 | 0 | 113.1 | I130 V132 S133 Q137 W152 | I130-L135 HydrophobicContact CG2-CD1 4.29Å; V132-L135 WeakPolarHBondContact O-CB 3.43Å; V132-L135 PolarHBondContact O-N 2.72Å; S133-L135 VanDerWaalsContact C-N 3.3Å; L135-Q137 VanDerWaalsContact C-N 3.32Å; L135-W152 PolarHBondContact O-NE1 2.76Å |
| 136 | M | 54.1 | Low | 61.6 | Low | 147 Ų | 147 | 111.9 Ų | 111.9 | 72% | 0.724 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 10.8 | 179.7 | -68.2 | -72.7 | -69.5 | 0 | 0 | 113.5 | S133 E134 | S133-M136 PolarHBondContact O-N 2.78Å; E134-M136 VanDerWaalsContact C-N 3.33Å |
| 137 | Q | 61.9 | Low | 63.1 | Low | 86 Ų | 86 | 113.6 Ų | 113.6 | 40% | 0.402 | 57% | 0.568 | S | S | . | * | trans | -72.2 | 156.9 | -178.4 | -67.7 | 178.5 | 13.4 | 0 | 0 | 112.4 | E134 L135 K139 W152 K156 | E134-Q137 WeakPolarHBondContact O-CG 3.39Å; L135-Q137 VanDerWaalsContact C-N 3.32Å; Q137-K139 VanDerWaalsContact C-N 3.29Å; Q137-K139 PolarHBondContact O-N 3.37Å; Q137-W152 WeakPolarHBondContact O-CH2 3.43Å; Q137-W152 WeakPolarHBondContact O-CZ2 3.38Å; Q137-K156 PolarHBondContact O-NZ 2.94Å | ||
| 138 | D | 60.5 | Low | 64.5 | Low | 144 Ų | 144 | 111.1 Ų | 111.1 | 77% | 0.77 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -73.7 | -23.6 | 178.2 | -79.7 | -41.7 | 0 | 0 | 0 | 113.8 | K156 | D138-K156 VanDerWaalsContact CA-NZ 3.3Å; D138-K156 PolarHBondContact O-NZ 2.78Å; D138-K156 IonicContact OD1-NZ 2.67Å |
| 139 | K | 67.4 | Low | 65.7 | Low | 176 Ų | 176 | 101.6 Ų | 101.6 | 77% | 0.765 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -118.8 | 134.9 | -178.3 | -62.8 | -177.4 | -179.4 | -178.8 | 0 | 110.6 | Q137 P141 | Q137-K139 VanDerWaalsContact C-N 3.29Å; Q137-K139 PolarHBondContact O-N 3.37Å; K139-P141 WeakPolarHBondContact O-CD 3.47Å |
| 140 | C | 74.8 | Confident | 66.8 | Low | 35 Ų | 35 | 97.3 Ų | 97.3 | 24% | 0.236 | 51% | 0.508 | C | S | . | . | trans | -64 | 123 | -179 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | F142 W152 | C140-F142 PolarHBondContact O-N 2.91Å; C140-W152 HydrophobicContact CB-CD2 4.03Å; C140-W152 HydrophobicContact CB-CE3 3.5Å; C140-W152 HydrophobicContact CB-CH2 4.12Å; C140-W152 HydrophobicContact CB-CZ3 3.57Å | ||
| 141 | P | 73.1 | Confident | 67.7 | Low | 72 Ų | 72 | 96.1 Ų | 96.1 | 47% | 0.468 | 51% | 0.507 | S | S | . | . | trans | -80.3 | -1.5 | 179.9 | 32.2 | -35 | 0 | 0 | 0 | 113.5 | K139 | K139-P141 WeakPolarHBondContact O-CD 3.47Š| ||
| 142 | F | 76.9 | Confident | 69.1 | Low | 50 Ų | 50 | 90.3 Ų | 90.3 | 22% | 0.219 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -101.4 | 152 | -177.8 | -52 | -69.8 | 0 | 0 | 0 | 111.7 | I130 C140 L148 A149 W152 | I130-F142 HydrophobicContact CD1-CE1 4.35Å; I130-F142 HydrophobicContact CD1-CZ 4.42Å; C140-F142 PolarHBondContact O-N 2.91Å; F142-L148 HydrophobicContact CB-CB 4.29Å; F142-L148 HydrophobicContact CD1-CB 3.88Å; F142-L148 HydrophobicContact CD1-CD1 4.11Å; F142-L148 HydrophobicContact CD2-CB 4.15Å; F142-L148 HydrophobicContact CE1-CB 4.23Å; F142-L148 HydrophobicContact CE1-CD1 4.15Å; F142-L148 HydrophobicContact CE2-CB 4.48Å; F142-L148 HydrophobicContact CG-CB 3.83Å; F142-A149 HydrophobicContact CB-CB 3.93Å; F142-W152 HydrophobicContact CD2-CB 4.04Å; F142-W152 HydrophobicContact CD2-CG 4.29Å; F142-W152 HydrophobicContact CE2-CB 4.11Å; F142-W152 AromaticContact CE2-CD1 3.9Å; F142-W152 HydrophobicContact CE2-CG 4.2Å |
| 143 | S | 72.7 | Confident | 70.4 | Confident | 72 Ų | 72 | 89 Ų | 89 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | trans | -56.4 | 140.6 | 177.5 | 58.6 | 0 | 0 | 0 | 0 | 111.7 | K145 S146 A149 | S143-K145 PolarHBondContact O-N 2.82Å; S143-S146 PolarHBondContact O-N 2.68Å; S143-S146 PolarHBondContact O-OG 3.47Å; S143-S146 VanDerWaalsContact OG-CB 3.31Å; S143-S146 WeakPolarHBondContact OG-CB 3.4Å; S143-S146 PolarHBondContact OG-OG 3.2Å; S143-A149 VanDerWaalsContact O-CB 3.32Å; S143-A149 WeakPolarHBondContact O-CB 3.39Å | ||
| 144 | P | 70.5 | Confident | 71.3 | Confident | 130 Ų | 130 | 90.9 Ų | 90.9 | 84% | 0.844 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -12.4 | -169.6 | -24.5 | 32.2 | 0 | 0 | 0 | 116.7 | ||
| 145 | K | 69.3 | Low | 72.3 | Confident | 195 Ų | 195 | 91.4 Ų | 91.4 | 85% | 0.848 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | 4.4 | -178.3 | -62 | -175.6 | 179.7 | 178.2 | 0 | 114.1 | S143 | S143-K145 PolarHBondContact O-N 2.82Š|
| 146 | S | 81.4 | Confident | 73.3 | Confident | 30 Ų | 30 | 91.3 Ų | 91.3 | 21% | 0.21 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -82.9 | 149.1 | 178.4 | 67.6 | 0 | 0 | 0 | 0 | 111.7 | S143 L148 A149 K150 | S143-S146 PolarHBondContact O-N 2.68Å; S143-S146 PolarHBondContact O-OG 3.47Å; S143-S146 VanDerWaalsContact OG-CB 3.31Å; S143-S146 WeakPolarHBondContact OG-CB 3.4Å; S143-S146 PolarHBondContact OG-OG 3.2Å; S146-L148 PolarHBondContact O-N 3.34Å; S146-A149 WeakPolarHBondContact O-CB 3.3Å; S146-A149 PolarHBondContact O-N 2.91Å; S146-A149 PolarHBondContact OG-N 3.15Å; S146-K150 PolarHBondContact O-N 3.37Å |
| 147 | E | 72.7 | Confident | 74.1 | Confident | 123 Ų | 123 | 89.7 Ų | 89.7 | 58% | 0.575 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -56 | -32.7 | 173.4 | -66.9 | -61.8 | 106.4 | 0 | 0 | 111.7 | A149 K150 C151 | E147-A149 PolarHBondContact O-N 3.05Å; E147-K150 WeakPolarHBondContact O-CB 3.31Å; E147-K150 PolarHBondContact O-N 2.82Å; E147-K150 WeakPolarHBondContact OE1-CE 3.47Å; E147-K150 IonicContact OE1-NZ 3.1Å; E147-K150 PolarHBondContact OE1-NZ 2.99Å; E147-C151 PolarHBondContact O-N 3.06Å; E147-C151 PolarHBondContact O-SG 3.31Å; E147-C151 VanDerWaalsContact O-SG 3.34Å |
| 148 | L | 79.1 | Confident | 74.3 | Confident | 105 Ų | 105 | 92.7 Ų | 92.7 | 55% | 0.55 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.3 | -37 | 175.2 | -62.8 | 175.4 | 0 | 0 | 0 | 112.8 | F142 S146 K150 W152 | F142-L148 HydrophobicContact CB-CB 4.29Å; F142-L148 HydrophobicContact CD1-CB 3.88Å; F142-L148 HydrophobicContact CD1-CD1 4.11Å; F142-L148 HydrophobicContact CD2-CB 4.15Å; F142-L148 HydrophobicContact CE1-CB 4.23Å; F142-L148 HydrophobicContact CE1-CD1 4.15Å; F142-L148 HydrophobicContact CE2-CB 4.48Å; F142-L148 HydrophobicContact CG-CB 3.83Å; S146-L148 PolarHBondContact O-N 3.34Å; L148-K150 VanDerWaalsContact C-N 3.35Å; L148-W152 VanDerWaalsContact O-CB 3.32Å; L148-W152 WeakPolarHBondContact O-CB 3.3Å; L148-W152 PolarHBondContact O-N 2.79Å |
| 149 | A | 80.6 | Confident | 74.4 | Confident | 4 Ų | 4 | 90.7 Ų | 90.7 | 3% | 0.033 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F142 S143 S146 E147 W152 H153 | F142-A149 HydrophobicContact CB-CB 3.93Å; S143-A149 VanDerWaalsContact O-CB 3.32Å; S143-A149 WeakPolarHBondContact O-CB 3.39Å; S146-A149 WeakPolarHBondContact O-CB 3.3Å; S146-A149 PolarHBondContact O-N 2.91Å; S146-A149 PolarHBondContact OG-N 3.15Å; E147-A149 PolarHBondContact O-N 3.05Å; A149-W152 PolarHBondContact O-N 2.85Å; A149-H153 PolarHBondContact O-N 3.12Å; A149-H153 VanDerWaalsContact O-N 3.13Å; A149-H153 PolarHBondContact O-ND1 3.15Å |
| 150 | K | 75.1 | Confident | 73.9 | Confident | 119 Ų | 119 | 85.9 Ų | 85.9 | 52% | 0.517 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 176.2 | -64.5 | 178.6 | -175 | 165.9 | 0 | 111.6 | S146 E147 L148 W152 H153 L154 | S146-K150 PolarHBondContact O-N 3.37Å; E147-K150 WeakPolarHBondContact O-CB 3.31Å; E147-K150 PolarHBondContact O-N 2.82Å; E147-K150 WeakPolarHBondContact OE1-CE 3.47Å; E147-K150 IonicContact OE1-NZ 3.1Å; E147-K150 PolarHBondContact OE1-NZ 2.99Å; L148-K150 VanDerWaalsContact C-N 3.35Å; K150-W152 VanDerWaalsContact C-N 3.32Å; K150-W152 PolarHBondContact O-N 3Å; K150-H153 PolarHBondContact O-N 3Å; K150-L154 PolarHBondContact O-N 3.16Å |
| 151 | C | 76.2 | Confident | 72.9 | Confident | 65 Ų | 65 | 89.4 Ų | 89.4 | 44% | 0.439 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 176.3 | -64.9 | 0 | 0 | 0 | 0 | 111.9 | E147 H153 L154 I155 | E147-C151 PolarHBondContact O-N 3.06Å; E147-C151 PolarHBondContact O-SG 3.31Å; E147-C151 VanDerWaalsContact O-SG 3.34Å; C151-H153 PolarHBondContact O-N 3.42Å; C151-L154 PolarHBondContact O-N 3.32Å; C151-I155 WeakPolarHBondContact O-CD1 3.42Å; C151-I155 VanDerWaalsContact O-CG1 3.29Å; C151-I155 WeakPolarHBondContact O-CG1 3.24Å; C151-I155 PolarHBondContact O-N 2.88Å |
| 152 | W | 82.1 | Confident | 71.8 | Confident | 8 Ų | 8 | 92.1 Ų | 92.1 | 3% | 0.03 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 177.8 | -173.5 | 89 | 0 | 0 | 0 | 112.6 | L135 Q137 C140 F142 L148 A149 K150 I155 K156 | L135-W152 PolarHBondContact O-NE1 2.76Å; Q137-W152 WeakPolarHBondContact O-CH2 3.43Å; Q137-W152 WeakPolarHBondContact O-CZ2 3.38Å; C140-W152 HydrophobicContact CB-CD2 4.03Å; C140-W152 HydrophobicContact CB-CE3 3.5Å; C140-W152 HydrophobicContact CB-CH2 4.12Å; C140-W152 HydrophobicContact CB-CZ3 3.57Å; F142-W152 HydrophobicContact CD2-CB 4.04Å; F142-W152 HydrophobicContact CD2-CG 4.29Å; F142-W152 HydrophobicContact CE2-CB 4.11Å; F142-W152 AromaticContact CE2-CD1 3.9Å; F142-W152 HydrophobicContact CE2-CG 4.2Å; L148-W152 VanDerWaalsContact O-CB 3.32Å; L148-W152 WeakPolarHBondContact O-CB 3.3Å; L148-W152 PolarHBondContact O-N 2.79Å; A149-W152 PolarHBondContact O-N 2.85Å; K150-W152 VanDerWaalsContact C-N 3.32Å; K150-W152 PolarHBondContact O-N 3Å; W152-I155 PolarHBondContact O-N 2.94Å; W152-K156 HydrophobicContact CH2-CD 3.59Å; W152-K156 HydrophobicContact CZ2-CD 4.22Å; W152-K156 HydrophobicContact CZ3-CD 3.78Å; W152-K156 PolarHBondContact O-N 3.1Å |
| 153 | H | 80.5 | Confident | 70.6 | Confident | 88 Ų | 88 | 92.9 Ų | 92.9 | 41% | 0.407 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.4 | -35.2 | 177.2 | -69.9 | 94.6 | 0 | 0 | 0 | 113 | A149 K150 C151 K156 N157 | A149-H153 PolarHBondContact O-N 3.12Å; A149-H153 VanDerWaalsContact O-N 3.13Å; A149-H153 PolarHBondContact O-ND1 3.15Å; K150-H153 PolarHBondContact O-N 3Å; C151-H153 PolarHBondContact O-N 3.42Å; H153-K156 PolarHBondContact O-N 2.85Å; H153-N157 WeakPolarHBondContact O-CB 3.33Å; H153-N157 PolarHBondContact O-N 3.29Å |
| 154 | L | 78.4 | Confident | 69.1 | Low | 109 Ų | 109 | 94.1 Ų | 94.1 | 57% | 0.571 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.2 | -45 | 174.4 | -83.5 | 162.3 | 0 | 0 | 0 | 111.8 | K150 C151 N157 Q158 | K150-L154 PolarHBondContact O-N 3.16Å; C151-L154 PolarHBondContact O-N 3.32Å; L154-N157 PolarHBondContact O-N 3.45Å; L154-Q158 PolarHBondContact O-N 3.02Å |
| 155 | I | 76.8 | Confident | 67.8 | Low | 90 Ų | 90 | 96 Ų | 96 | 46% | 0.462 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 176.6 | -65.6 | 164.4 | 0 | 0 | 0 | 110 | C151 W152 N157 Q158 V159 | C151-I155 WeakPolarHBondContact O-CD1 3.42Å; C151-I155 VanDerWaalsContact O-CG1 3.29Å; C151-I155 WeakPolarHBondContact O-CG1 3.24Å; C151-I155 PolarHBondContact O-N 2.88Å; W152-I155 PolarHBondContact O-N 2.94Å; I155-N157 PolarHBondContact O-N 2.92Å; I155-Q158 PolarHBondContact O-N 2.84Å; I155-V159 HydrophobicContact CG2-CG2 4.49Å; I155-V159 VanDerWaalsContact O-CG2 3.32Å; I155-V159 WeakPolarHBondContact O-CG2 3.26Å; I155-V159 PolarHBondContact O-N 3.01Å; I155-V159 VanDerWaalsContact O-N 3.07Å |
| 156 | K | 76.1 | Confident | 66.2 | Low | 70 Ų | 70 | 96.2 Ų | 96.2 | 30% | 0.304 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 178.9 | -167.9 | 168.1 | -179.5 | 164.7 | 0 | 112.9 | Q137 D138 W152 H153 V159 A160 | Q137-K156 PolarHBondContact O-NZ 2.94Å; D138-K156 VanDerWaalsContact CA-NZ 3.3Å; D138-K156 PolarHBondContact O-NZ 2.78Å; D138-K156 IonicContact OD1-NZ 2.67Å; W152-K156 HydrophobicContact CH2-CD 3.59Å; W152-K156 HydrophobicContact CZ2-CD 4.22Å; W152-K156 HydrophobicContact CZ3-CD 3.78Å; W152-K156 PolarHBondContact O-N 3.1Å; H153-K156 PolarHBondContact O-N 2.85Å; K156-V159 PolarHBondContact O-N 3.17Å; K156-A160 VanDerWaalsContact O-CB 3.3Å; K156-A160 WeakPolarHBondContact O-CB 3.24Å; K156-A160 PolarHBondContact O-N 3.32Å |
| 157 | N | 71.1 | Confident | 63.7 | Low | 113 Ų | 113 | 102.1 Ų | 102.1 | 60% | 0.604 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.2 | -35.7 | 177 | -79.8 | -0 | 0 | 0 | 0 | 113 | H153 L154 I155 N161 | H153-N157 WeakPolarHBondContact O-CB 3.33Å; H153-N157 PolarHBondContact O-N 3.29Å; L154-N157 PolarHBondContact O-N 3.45Å; I155-N157 PolarHBondContact O-N 2.92Å; N157-N161 PolarHBondContact O-N 3.33Å |
| 158 | Q | 64.4 | Low | 61.9 | Low | 149 Ų | 149 | 105.3 Ų | 105.3 | 70% | 0.696 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -72.6 | -33.9 | 176.1 | -72.1 | -179.1 | -9.9 | 0 | 0 | 112.4 | L154 I155 | L154-Q158 PolarHBondContact O-N 3.02Å; I155-Q158 PolarHBondContact O-N 2.84Å |
| 159 | V | 62.8 | Low | 59.5 | Low | 101 Ų | 101 | 109.6 Ų | 109.6 | 61% | 0.612 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -74.9 | -33.3 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 112 | I155 K156 | I155-V159 HydrophobicContact CG2-CG2 4.49Å; I155-V159 VanDerWaalsContact O-CG2 3.32Å; I155-V159 WeakPolarHBondContact O-CG2 3.26Å; I155-V159 PolarHBondContact O-N 3.01Å; I155-V159 VanDerWaalsContact O-N 3.07Å; K156-V159 PolarHBondContact O-N 3.17Å |
| 160 | A | 58.5 | Low | 57.1 | Low | 76 Ų | 76 | 115.9 Ų | 115.9 | 63% | 0.628 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -79.8 | -14.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | K156 | K156-A160 VanDerWaalsContact O-CB 3.3Å; K156-A160 WeakPolarHBondContact O-CB 3.24Å; K156-A160 PolarHBondContact O-N 3.32Å |
| 161 | N | 52.8 | Low | 55.2 | Low | 108 Ų | 108 | 115.6 Ų | 115.6 | 58% | 0.578 | 64% | 0.644 | S | S | * | * | trans | -143.9 | 76.7 | -174.6 | -144.4 | 0.5 | 0 | 0 | 0 | 112.4 | N157 G163 | N157-N161 PolarHBondContact O-N 3.33Å; N161-G163 PolarHBondContact O-N 3.46Å | ||
| 162 | P | 50 | Low | 52.9 | Low | 129 Ų | 129 | 121.2 Ų | 121.2 | 84% | 0.838 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 9.7 | -179.2 | 32 | -33.5 | 0 | 0 | 0 | 114 | ||
| 163 | G | 51.8 | Low | 50.4 | Low | 66 Ų | 66 | 130.5 Ų | 130.5 | 68% | 0.68 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.9 | 3.8 | -164.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | N161 | N161-G163 PolarHBondContact O-N 3.46Š|
| 164 | S | 40.7 | Very low | 48.1 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | trans | -108.1 | 71.9 | -173.1 | -173.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 165 | L | 43.4 | Very low | 45.5 | Very low | 169 Ų | 169 | 138.2 Ų | 138.2 | 89% | 0.885 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -159.8 | 69.9 | 154.7 | -121.7 | 165.1 | 0 | 0 | 0 | 110.5 | ||
| 166 | K | 35.4 | Very low | 43.1 | Very low | 200 Ų | 200 | 140.2 Ų | 140.2 | 87% | 0.87 | 76% | 0.758 | S | S | * | * | trans | -167 | 98.7 | 155.9 | -105.9 | 178.7 | -172.8 | -172.2 | 0 | 107.9 | ||||
| 167 | D | 29.3 | Very low | 40.8 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | -152.5 | 94.2 | 162.9 | -97.9 | -26.2 | 0 | 0 | 0 | 108.1 | ||||
| 168 | M | 34.6 | Very low | 38.7 | Very low | 190 Ų | 190 | 142.5 Ų | 142.5 | 94% | 0.936 | 79% | 0.791 | S | S | * | * | trans | -154.8 | 108.1 | 147.5 | -63.9 | -65.7 | 155.2 | 0 | 0 | 105.7 | ||||
| 169 | E | 28.6 | Very low | 36.9 | Very low | 195 Ų | 195 | 140.7 Ų | 140.7 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | trans | 137.7 | 121 | 145.8 | -149.5 | 168.4 | 138.9 | 0 | 0 | 114.5 | ||||
| 170 | T | 30.6 | Very low | 35.2 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -80.6 | 169.4 | -170.5 | 28.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 171 | P | 36 | Very low | 33.9 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -111.9 | 153.8 | -141.9 | 39.4 | -32.2 | 0 | 0 | 0 | 116.3 | ||||
| 172 | L | 27.6 | Very low | 33.2 | Very low | 183 Ų | 183 | 143.9 Ų | 143.9 | 96% | 0.958 | 82% | 0.818 | S | S | * | * | trans | -139.2 | 150.3 | 151.3 | -76.4 | 176.4 | 0 | 0 | 0 | 111.6 | ||||
| 173 | K | 28.2 | Very low | 32.5 | Very low | 204 Ų | 204 | 144 Ų | 144 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | -87.8 | -178.2 | -151.2 | -121.7 | -173.8 | 179.7 | 171.5 | 0 | 114.3 | ||||
| 174 | P | 33.4 | Very low | 31.6 | Very low | 108 Ų | 108 | 149.8 Ų | 149.8 | 70% | 0.701 | 83% | 0.828 | S | S | * | * | -116.3 | 168.8 | -124.6 | 38.4 | -20.7 | 0 | 0 | 0 | 114.7 | |||||
| 175 | R | 23.9 | Very low | 31.5 | Very low | 250 Ų | 250 | 151.1 Ų | 151.1 | 94% | 0.943 | 83% | 0.832 | S | S | * | * | trans | -144.3 | 136.6 | 151.9 | -114.7 | 176.9 | -178 | -122.8 | 1.9 | 112.3 | ||||
| 176 | V | 26.2 | Very low | 31.3 | Very low | 132 Ų | 132 | 149 Ų | 149 | 80% | 0.8 | 83% | 0.828 | S | S | * | * | trans | -76.6 | 138.4 | -173.1 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 177 | S | 28.2 | Very low | 31.1 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -171 | 138.8 | 131.9 | -76.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 178 | S | 26.6 | Very low | 31.2 | Very low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -65.5 | 145.2 | -174.3 | 47.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 179 | S | 26.1 | Very low | 31.1 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | -173.2 | 126.1 | 116.1 | 58 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 180 | T | 26.9 | Very low | 31.4 | Very low | 131 Ų | 131 | 138 Ų | 138 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 13.7 | 131.3 | 145.4 | -12.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 181 | S | 30.9 | Very low | 31.5 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | 112.4 | 145.8 | 145.2 | -39 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 182 | P | 37.8 | Very low | 31.7 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 158 | -146.6 | 36.7 | -34.9 | 0 | 0 | 0 | 115 | ||
| 183 | P | 36.1 | Very low | 32.2 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 149.1 | 174.3 | 33.1 | -31.3 | 0 | 0 | 0 | 111.9 | ||
| 184 | Q | 34 | Very low | 32.3 | Very low | 188 Ų | 188 | 130.4 Ų | 130.4 | 88% | 0.879 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 151 | -165.1 | -61.3 | -173.1 | -29.2 | 0 | 0 | 114 | ||
| 185 | T | 37.7 | Very low | 32.1 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | -40.7 | 145 | 165.1 | -19.9 | 0 | 0 | 0 | 0 | 112.8 | L187 | T185-L187 PolarHBondContact O-N 2.97Š| ||
| 186 | P | 38.2 | Very low | 32.7 | Very low | 123 Ų | 123 | 124.4 Ų | 124.4 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 134.9 | 173.1 | 25.7 | -32.8 | 0 | 0 | 0 | 111.1 | S188 | P186-S188 PolarHBondContact O-N 2.99Š|
| 187 | L | 32.6 | Very low | 33 | Very low | 164 Ų | 164 | 122.1 Ų | 122.1 | 86% | 0.859 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 127.7 | -174.1 | -69 | 163 | 0 | 0 | 0 | 113.3 | T185 | T185-L187 PolarHBondContact O-N 2.97Š|
| 188 | S | 30.6 | Very low | 33.2 | Very low | 44 Ų | 44 | 121.4 Ų | 121.4 | 31% | 0.308 | 73% | 0.729 | S | S | . | * | P | Polyproline II helix | trans | -81.8 | 145.3 | 175.9 | -166.3 | 0 | 0 | 0 | 0 | 110.7 | P186 E190 D191 | P186-S188 PolarHBondContact O-N 2.99Å; S188-E190 PolarHBondContact O-N 3.2Å; S188-E190 WeakPolarHBondContact OG-CG 3.26Å; S188-E190 PolarHBondContact OG-OE1 3Å; S188-D191 PolarHBondContact O-N 3.14Å |
| 189 | W | 32.8 | Very low | 34 | Very low | 195 Ų | 195 | 120.9 Ų | 120.9 | 74% | 0.739 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -6.5 | 179.1 | 55.9 | -86.1 | 0 | 0 | 0 | 113.9 | ||
| 190 | E | 35 | Very low | 34.3 | Very low | 107 Ų | 107 | 124.1 Ų | 124.1 | 50% | 0.5 | 72% | 0.719 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.2 | -17.2 | -176.9 | 17.7 | -158 | 156.1 | 0 | 0 | 112.5 | S188 I192 | S188-E190 PolarHBondContact O-N 3.2Å; S188-E190 WeakPolarHBondContact OG-CG 3.26Å; S188-E190 PolarHBondContact OG-OE1 3Å; E190-I192 VanDerWaalsContact C-N 3.34Å; E190-I192 PolarHBondContact O-N 3.34Å |
| 191 | D | 32.9 | Very low | 34.7 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 59% | 0.594 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -16.5 | 174.9 | -67.2 | -43.9 | 0 | 0 | 0 | 113.4 | S188 C193 | S188-D191 PolarHBondContact O-N 3.14Å; D191-C193 VanDerWaalsContact C-N 3.26Å; D191-C193 PolarHBondContact O-N 3.09Å |
| 192 | I | 39.1 | Very low | 35.2 | Very low | 151 Ų | 151 | 126.9 Ų | 126.9 | 77% | 0.774 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -19.9 | 177.1 | -61.6 | 168.5 | 0 | 0 | 0 | 111.3 | E190 | E190-I192 VanDerWaalsContact C-N 3.34Å; E190-I192 PolarHBondContact O-N 3.34Å |
| 193 | C | 38.4 | Very low | 35 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -101.1 | -7.8 | -173.8 | -75.7 | 0 | 0 | 0 | 0 | 115.1 | D191 | D191-C193 VanDerWaalsContact C-N 3.26Å; D191-C193 PolarHBondContact O-N 3.09Å |
| 194 | C | 31.1 | Very low | 35.3 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 71% | 0.709 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -137.6 | 67.5 | -173.4 | -72.7 | 0 | 0 | 0 | 0 | 112.9 | ||
| 195 | S | 29.5 | Very low | 35.4 | Very low | 107 Ų | 107 | 119.8 Ų | 119.8 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | trans | -162.7 | 115.9 | 146.7 | -81 | 0 | 0 | 0 | 0 | 109.4 | A197 | S195-A197 PolarHBondContact O-N 3.11Š| ||
| 196 | P | 35.6 | Very low | 35.5 | Very low | 124 Ų | 124 | 119.7 Ų | 119.7 | 81% | 0.805 | 68% | 0.68 | S | S | * | * | trans | -69.9 | 110.5 | 164.3 | 28.2 | -26.9 | 0 | 0 | 0 | 106.9 | ||||
| 197 | A | 32.8 | Very low | 35.6 | Very low | 85 Ų | 85 | 121.3 Ų | 121.3 | 70% | 0.702 | 68% | 0.681 | S | S | * | * | trans | -56 | 130.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | S195 L199 | S195-A197 PolarHBondContact O-N 3.11Å; A197-L199 PolarHBondContact O-N 2.91Å | ||
| 198 | P | 32.1 | Very low | 35.9 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 66% | 0.656 | 68% | 0.682 | S | S | * | * | trans | -53.3 | 125.9 | 174.9 | -23.3 | 32.4 | 0 | 0 | 0 | 109.4 | E200 | P198-E200 PolarHBondContact O-N 3.2Š| ||
| 199 | L | 43.4 | Very low | 36.3 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 55% | 0.545 | 71% | 0.71 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.3 | 34.8 | -178.6 | -172.3 | 61.4 | 0 | 0 | 0 | 111.9 | A197 A303 | A197-L199 PolarHBondContact O-N 2.91Å; L199-A303 HydrophobicContact CD2-CB 3.73Å; L199-A303 HydrophobicContact CG-CB 4.43Å |
| 200 | E | 33.8 | Very low | 36.3 | Very low | 179 Ų | 179 | 126.2 Ų | 126.2 | 84% | 0.836 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | -6 | -173.9 | -81.8 | 169 | 133.4 | 0 | 0 | 114 | P198 | P198-E200 PolarHBondContact O-N 3.2Š|
| 201 | D | 33.7 | Very low | 37 | Very low | 153 Ų | 153 | 126.3 Ų | 126.3 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -119.2 | 30.6 | -172.9 | -132.2 | 14.2 | 0 | 0 | 0 | 114.3 | D203 | D201-D203 VanDerWaalsContact C-N 3.26Å; D201-D203 PolarHBondContact O-N 3.16Å | ||
| 202 | W | 42.8 | Very low | 37.3 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 54% | 0.542 | 74% | 0.736 | S | S | . | * | trans | -90.3 | 64 | 166.1 | -170.1 | -97.3 | 0 | 0 | 0 | 110.8 | K288 T350 | W202-K288 PolarHBondContact O-NZ 2.98Å; W202-T350 HydrophobicContact CH2-CG2 3.58Å; W202-T350 HydrophobicContact CZ2-CG2 3.81Å | ||
| 203 | D | 32.4 | Very low | 37.7 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 59% | 0.588 | 74% | 0.743 | S | S | * | * | trans | -97.1 | 110.3 | 165.4 | -164.8 | 25.9 | 0 | 0 | 0 | 109.8 | D201 S205 | D201-D203 VanDerWaalsContact C-N 3.26Å; D201-D203 PolarHBondContact O-N 3.16Å; D203-S205 PolarHBondContact O-N 3.42Å; D203-S205 PolarHBondContact OD1-OG 3.18Å; D203-S205 VanDerWaalsContact OD1-OG 3.13Å; D203-S205 VanDerWaalsContact OD2-CB 3.3Å; D203-S205 WeakPolarHBondContact OD2-CB 3.41Å; D203-S205 PolarHBondContact OD2-OG 2.92Å | ||
| 204 | P | 42.9 | Very low | 37.5 | Very low | 94 Ų | 94 | 124.7 Ų | 124.7 | 61% | 0.61 | 75% | 0.745 | S | S | * | * | trans | -81.7 | 51.3 | 176.7 | 36.1 | -33.7 | 0 | 0 | 0 | 110.3 | C206 | P204-C206 VanDerWaalsContact C-N 3.35Å; P204-C206 PolarHBondContact O-N 2.88Å | ||
| 205 | S | 36.4 | Very low | 37.8 | Very low | 81 Ų | 81 | 126.3 Ų | 126.3 | 57% | 0.566 | 76% | 0.756 | S | S | * | * | trans | -99.6 | 51.2 | 175.6 | -59.4 | 0 | 0 | 0 | 0 | 110.4 | D203 L207 | D203-S205 PolarHBondContact O-N 3.42Å; D203-S205 PolarHBondContact OD1-OG 3.18Å; D203-S205 VanDerWaalsContact OD1-OG 3.13Å; D203-S205 VanDerWaalsContact OD2-CB 3.3Å; D203-S205 WeakPolarHBondContact OD2-CB 3.41Å; D203-S205 PolarHBondContact OD2-OG 2.92Å; S205-L207 PolarHBondContact O-N 3.45Å; S205-L207 VanDerWaalsContact O-N 3.13Å | ||
| 206 | C | 38.9 | Very low | 38.5 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | trans | -79.8 | 96 | 162.8 | -77.2 | 0 | 0 | 0 | 0 | 108.4 | P204 | P204-C206 VanDerWaalsContact C-N 3.35Å; P204-C206 PolarHBondContact O-N 2.88Å | ||
| 207 | L | 39.8 | Very low | 39.3 | Very low | 156 Ų | 156 | 124.6 Ų | 124.6 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | trans | 24.7 | 103.1 | 138.6 | -69.3 | 158.1 | 0 | 0 | 0 | 113.5 | S205 | S205-L207 PolarHBondContact O-N 3.45Å; S205-L207 VanDerWaalsContact O-N 3.13Å | ||
| 208 | H | 39.7 | Very low | 40.6 | Very low | 193 Ų | 193 | 123 Ų | 123 | 89% | 0.894 | 73% | 0.729 | S | S | * | * | trans | -163.3 | 104.8 | 135.4 | -100.8 | 52.6 | 0 | 0 | 0 | 106.3 | R210 | H208-R210 PolarHBondContact O-N 2.85Š| ||
| 209 | G | 39.9 | Very low | 43.2 | Very low | 86 Ų | 86 | 122 Ų | 122 | 89% | 0.887 | 72% | 0.718 | S | S | * | * | trans | -61.5 | 120.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 210 | R | 31.1 | Very low | 45.4 | Very low | 227 Ų | 227 | 121 Ų | 121 | 86% | 0.857 | 71% | 0.708 | S | S | * | * | trans | -145.7 | 114.6 | 155.3 | -132.3 | -176.2 | -173.2 | -131.1 | 1 | 108.2 | H208 | H208-R210 PolarHBondContact O-N 2.85Š| ||
| 211 | P | 50.1 | Low | 48.1 | Very low | 109 Ų | 109 | 114 Ų | 114 | 71% | 0.708 | 68% | 0.676 | S | S | * | * | trans | -77.7 | 121.9 | 161.5 | 32.1 | -24.9 | 0 | 0 | 0 | 106 | ||||
| 212 | D | 40.7 | Very low | 51 | Low | 155 Ų | 155 | 107.5 Ų | 107.5 | 83% | 0.829 | 64% | 0.641 | S | S | * | * | trans | 178.6 | 132.3 | 139.7 | -85.2 | -21.7 | 0 | 0 | 0 | 109.7 | ||||
| 213 | G | 47.2 | Very low | 53.5 | Low | 88 Ų | 88 | 100.9 Ų | 100.9 | 91% | 0.907 | 62% | 0.616 | S | S | * | * | trans | -59.7 | 137.5 | -163.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 214 | A | 34.5 | Very low | 56.3 | Low | 95 Ų | 95 | 99.1 Ų | 99.1 | 79% | 0.785 | 61% | 0.61 | S | S | * | * | trans | -144.9 | 115.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 215 | C | 36.2 | Very low | 58.8 | Low | 139 Ų | 139 | 94.8 Ų | 94.8 | 94% | 0.939 | 58% | 0.582 | S | S | * | * | trans | -59.7 | 131.7 | 167.1 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 216 | G | 45.1 | Very low | 61.6 | Low | 66 Ų | 66 | 91.1 Ų | 91.1 | 68% | 0.68 | 56% | 0.556 | S | S | * | * | trans | 90 | 28.2 | 152 | 0 | 0 | 0 | 0 | 0 | 119.5 | T218 | G216-T218 PolarHBondContact O-N 3.02Å; G216-T218 VanDerWaalsContact O-N 3.14Å | ||
| 217 | N | 51.8 | Low | 64.4 | Low | 129 Ų | 129 | 87.8 Ų | 87.8 | 69% | 0.69 | 53% | 0.53 | S | S | * | . | trans | -74.6 | 108.7 | 174.1 | -150.4 | 32.3 | 0 | 0 | 0 | 110.2 | D219 | N217-D219 PolarHBondContact ND2-OD1 2.92Å; N217-D219 PolarHBondContact O-N 2.85Å; N217-D219 VanDerWaalsContact O-N 3.12Å | ||
| 218 | T | 61 | Low | 67.1 | Low | 51 Ų | 51 | 85.7 Ų | 85.7 | 31% | 0.313 | 52% | 0.516 | S | S | . | . | trans | -72.6 | 103 | 173.5 | 55.8 | 0 | 0 | 0 | 0 | 108 | G216 Y220 K373 | G216-T218 PolarHBondContact O-N 3.02Å; G216-T218 VanDerWaalsContact O-N 3.14Å; T218-Y220 WeakPolarHBondContact O-CD2 3.43Å; T218-K373 HydrophobicContact CG2-CD 4.46Å | ||
| 219 | D | 85.1 | Confident | 69.9 | Low | 81 Ų | 81 | 76.5 Ų | 76.5 | 43% | 0.433 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 127.4 | -179.6 | -76.6 | -23.1 | 0 | 0 | 0 | 109.6 | N217 C374 | N217-D219 PolarHBondContact ND2-OD1 2.92Å; N217-D219 PolarHBondContact O-N 2.85Å; N217-D219 VanDerWaalsContact O-N 3.12Å; D219-C374 HydrophobicContact CB-CB 4.41Å; D219-C374 PolarHBondContact N-O 2.86Å; D219-C374 WeakPolarHBondContact O-CA 3.49Å; D219-C374 WeakPolarHBondContact O-CB 2.92Å; D219-C374 PolarHBondContact O-N 3.02Å |
| 220 | Y | 89.6 | Confident | 72.6 | Confident | 82 Ų | 82 | 72.7 Ų | 72.7 | 32% | 0.322 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 135.8 | 174.3 | -64.9 | -79.4 | 0 | 0 | 0 | 109.5 | T218 Y351 H371 I372 K373 | T218-Y220 WeakPolarHBondContact O-CD2 3.43Å; Y220-Y351 HydrophobicContact CD2-CE1 4.32Å; Y220-Y351 HydrophobicContact CG-CE1 4.25Å; Y220-Y351 VanDerWaalsContact O-CB 3.27Å; Y220-Y351 WeakPolarHBondContact O-CB 3.29Å; Y220-H371 AromaticContact CD1-CD2 3.36Å; Y220-H371 WeakPolarHBondContact CD1-CD2 3.37Å; Y220-H371 AromaticContact CD1-NE2 3.84Å; Y220-H371 AromaticContact CE1-CD2 3.86Å; Y220-H371 AromaticContact CE1-NE2 3.88Å; Y220-I372 WeakPolarHBondContact CA-O 3.42Å; Y220-K373 HydrophobicContact CD1-CB 4.2Å; Y220-K373 HydrophobicContact CD1-CG 4.46Å; Y220-K373 HydrophobicContact CE1-CB 4.04Å; Y220-K373 HydrophobicContact CE1-CG 4.09Å |
| 221 | I | 92.1 | Very high | 75.7 | Confident | 33 Ų | 33 | 67.3 Ų | 67.3 | 17% | 0.169 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 150 | 172.4 | 66.6 | 172.5 | 0 | 0 | 0 | 109.7 | K288 H371 I372 C374 | I221-K288 HydrophobicContact CD1-CG 4.15Å; I221-H371 CarbonylContact O-C 3.59Å; I221-H371 WeakPolarHBondContact O-CA 3.38Å; I221-H371 WeakPolarHBondContact O-CB 3.37Å; I221-I372 HydrophobicContact CD1-CD1 3.68Å; I221-I372 HydrophobicContact CD1-CG1 3.93Å; I221-I372 HydrophobicContact CG1-CD1 3.7Å; I221-I372 HydrophobicContact CG1-CG1 3.33Å; I221-I372 PolarHBondContact N-O 3.17Å; I221-I372 PolarHBondContact O-N 3.13Å; I221-C374 WeakPolarHBondContact CD1-SG 3.49Å |
| 222 | L | 94.4 | Very high | 77.8 | Confident | 15 Ų | 15 | 64.2 Ų | 64.2 | 8% | 0.079 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 151.4 | 170.6 | -64.5 | 172.9 | 0 | 0 | 0 | 109.1 | P224 C346 T349 Y351 V354 | L222-P224 WeakPolarHBondContact O-CD 3.03Å; L222-P224 VanDerWaalsContact O-N 3.14Å; L222-C346 HydrophobicContact CD1-CB 4.08Å; L222-T349 HydrophobicContact CD1-CG2 4.07Å; L222-Y351 HydrophobicContact CD2-CD2 3.9Å; L222-Y351 HydrophobicContact CG-CD2 4.37Å; L222-V354 HydrophobicContact CD1-CG2 4.32Å |
| 223 | V | 95 | Very high | 80.5 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.024 | 38% | 0.382 | C | S | . | . | trans | -58.1 | 118.3 | 172.2 | 174.8 | 0 | 0 | 0 | 0 | 108.7 | D225 L226 I229 L267 F268 F290 Y370 I372 | V223-D225 VanDerWaalsContact C-N 3.33Å; V223-D225 PolarHBondContact O-N 2.85Å; V223-L226 HydrophobicContact CB-CB 4.28Å; V223-L226 HydrophobicContact CG1-CB 4.38Å; V223-L226 WeakPolarHBondContact O-CB 3.45Å; V223-L226 PolarHBondContact O-N 3.29Å; V223-I229 HydrophobicContact CG1-CD1 3.96Å; V223-L267 HydrophobicContact CG2-CD1 3.35Å; V223-F268 HydrophobicContact CG1-CE2 4.16Å; V223-F268 HydrophobicContact CG2-CE2 4.16Å; V223-F290 HydrophobicContact CG1-CZ 4.44Å; V223-Y370 PolarHBondContact N-O 3.42Å; V223-I372 HydrophobicContact CG2-CG2 4.07Å | ||
| 224 | P | 91.1 | Very high | 82.8 | Confident | 73 Ų | 73 | 56.1 Ų | 56.1 | 47% | 0.474 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -33.2 | -167.4 | 24.4 | -33.9 | 0 | 0 | 0 | 113 | L222 F290 | L222-P224 WeakPolarHBondContact O-CD 3.03Å; L222-P224 VanDerWaalsContact O-N 3.14Å; P224-F290 HydrophobicContact CG-CE2 4.32Å |
| 225 | D | 95 | Very high | 85.9 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 24 | -177.4 | 69.4 | -37.3 | 0 | 0 | 0 | 113.5 | V223 L227 Q228 I229 S304 V305 T306 | V223-D225 VanDerWaalsContact C-N 3.33Å; V223-D225 PolarHBondContact O-N 2.85Å; D225-L227 VanDerWaalsContact C-N 3.26Å; D225-L227 PolarHBondContact O-N 3.48Å; D225-Q228 HydrophobicContact CB-CB 4.26Å; D225-Q228 HydrophobicContact CB-CG 4.39Å; D225-Q228 WeakPolarHBondContact O-CA 3.48Å; D225-Q228 WeakPolarHBondContact O-CB 3.41Å; D225-Q228 PolarHBondContact O-N 2.88Å; D225-I229 WeakPolarHBondContact O-CG1 3.45Å; D225-I229 PolarHBondContact O-N 3.33Å; D225-S304 WeakPolarHBondContact OD2-CB 3.26Å; D225-V305 PolarHBondContact OD1-N 2.81Å; D225-V305 PolarHBondContact OD2-N 2.92Å; D225-T306 WeakPolarHBondContact OD2-CB 3.44Å; D225-T306 WeakPolarHBondContact OD2-CG2 3.4Å; D225-T306 PolarHBondContact OD2-N 2.72Å; D225-T306 PolarHBondContact OD2-OG1 2.84Å |
| 226 | L | 96 | Very high | 88.8 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.9 | -37.5 | -176.8 | -173.1 | 63.9 | 0 | 0 | 0 | 113.5 | V223 N230 F268 C346 Y370 | V223-L226 HydrophobicContact CB-CB 4.28Å; V223-L226 HydrophobicContact CG1-CB 4.38Å; V223-L226 WeakPolarHBondContact O-CB 3.45Å; V223-L226 PolarHBondContact O-N 3.29Å; L226-N230 WeakPolarHBondContact O-CB 3.43Å; L226-N230 PolarHBondContact O-N 3.1Å; L226-N230 PolarHBondContact O-ND2 3.35Å; L226-F268 HydrophobicContact CD1-CZ 4.31Å; L226-C346 HydrophobicContact CD2-CB 4.04Å; L226-Y370 HydrophobicContact CD1-CD1 3.83Å; L226-Y370 HydrophobicContact CD1-CE1 4.47Å; L226-Y370 HydrophobicContact CD1-CG 3.87Å; L226-Y370 HydrophobicContact CD2-CG 4.26Å |
| 227 | L | 96.7 | Very high | 91.3 | Very high | 54 Ų | 54 | 42.5 Ų | 42.5 | 28% | 0.283 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.6 | -41.1 | 175.3 | -179.1 | 61.8 | 0 | 0 | 0 | 111.7 | D225 N230 N231 A343 V344 | D225-L227 VanDerWaalsContact C-N 3.26Å; D225-L227 PolarHBondContact O-N 3.48Å; L227-N230 PolarHBondContact O-N 3.35Å; L227-N231 VanDerWaalsContact O-CG 3.27Å; L227-N231 PolarHBondContact O-N 2.73Å; L227-N231 PolarHBondContact O-ND2 3.5Å; L227-A343 HydrophobicContact CD1-CB 4.13Å; L227-V344 HydrophobicContact CD1-CG2 4.07Å |
| 228 | Q | 97.1 | Very high | 93.4 | Very high | 111 Ų | 111 | 40.8 Ų | 40.8 | 52% | 0.519 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.9 | -41.4 | 178.2 | -56.8 | -174.5 | 31.2 | 0 | 0 | 111.2 | D225 N230 N231 N232 T306 | D225-Q228 HydrophobicContact CB-CB 4.26Å; D225-Q228 HydrophobicContact CB-CG 4.39Å; D225-Q228 WeakPolarHBondContact O-CA 3.48Å; D225-Q228 WeakPolarHBondContact O-CB 3.41Å; D225-Q228 PolarHBondContact O-N 2.88Å; Q228-N230 VanDerWaalsContact C-N 3.29Å; Q228-N230 PolarHBondContact O-N 2.87Å; Q228-N231 PolarHBondContact O-N 3.35Å; Q228-N232 PolarHBondContact O-N 3.03Å; Q228-T306 HydrophobicContact CB-CG2 3.98Å |
| 229 | I | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.7 | -46 | 172.6 | -66.6 | 169.9 | 0 | 0 | 0 | 110.3 | V223 D225 N231 N232 Y235 L258 F268 V305 T306 | V223-I229 HydrophobicContact CG1-CD1 3.96Å; D225-I229 WeakPolarHBondContact O-CG1 3.45Å; D225-I229 PolarHBondContact O-N 3.33Å; I229-N231 PolarHBondContact O-N 3.13Å; I229-N232 WeakPolarHBondContact O-CB 3.44Å; I229-N232 PolarHBondContact O-N 3.33Å; I229-N232 VanDerWaalsContact O-N 3.16Å; I229-Y235 HydrophobicContact CG2-CD1 3.74Å; I229-Y235 HydrophobicContact CG2-CD2 3.82Å; I229-Y235 HydrophobicContact CG2-CE1 4.05Å; I229-Y235 HydrophobicContact CG2-CE2 4.12Å; I229-Y235 HydrophobicContact CG2-CG 3.61Å; I229-Y235 VanDerWaalsContact O-CB 3.25Å; I229-Y235 WeakPolarHBondContact O-CB 3.46Å; I229-L258 HydrophobicContact CG2-CD2 3.69Å; I229-F268 HydrophobicContact CD1-CE2 3.85Å; I229-F268 HydrophobicContact CD1-CZ 3.84Å; I229-F268 HydrophobicContact CG2-CE1 4.48Å; I229-V305 HydrophobicContact CD1-CB 3.76Å; I229-V305 HydrophobicContact CD1-CG1 4.17Å; I229-V305 HydrophobicContact CD1-CG2 3.99Å; I229-V305 HydrophobicContact CG1-CB 4.23Å; I229-V305 HydrophobicContact CG1-CG1 4.45Å; I229-T306 HydrophobicContact CG1-CG2 4Å |
| 230 | N | 97 | Very high | 95.6 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.032 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.2 | -36.5 | -179.2 | -95.4 | -82.5 | 0 | 0 | 0 | 114.3 | L226 L227 Q228 N232 F335 H339 A343 | L226-N230 WeakPolarHBondContact O-CB 3.43Å; L226-N230 PolarHBondContact O-N 3.1Å; L226-N230 PolarHBondContact O-ND2 3.35Å; L227-N230 PolarHBondContact O-N 3.35Å; Q228-N230 VanDerWaalsContact C-N 3.29Å; Q228-N230 PolarHBondContact O-N 2.87Å; N230-N232 VanDerWaalsContact C-N 3.28Å; N230-F335 WeakPolarHBondContact OD1-CD2 3.24Å; N230-F335 WeakPolarHBondContact OD1-CE2 3.31Å; N230-H339 PolarHBondContact OD1-CD2 3.06Å; N230-H339 PolarHBondContact OD1-NE2 3.46Å; N230-A343 HydrophobicContact CB-CB 3.99Å |
| 231 | N | 96 | Very high | 95.9 | Very high | 114 Ų | 114 | 40 Ų | 40 | 61% | 0.61 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -77.2 | -16.9 | 176.5 | -68.1 | -18.8 | 0 | 0 | 0 | 112.3 | L227 Q228 I229 P233 | L227-N231 VanDerWaalsContact O-CG 3.27Å; L227-N231 PolarHBondContact O-N 2.73Å; L227-N231 PolarHBondContact O-ND2 3.5Å; Q228-N231 PolarHBondContact O-N 3.35Å; I229-N231 PolarHBondContact O-N 3.13Å; N231-P233 WeakPolarHBondContact O-CD 3.11Å |
| 232 | N | 95.8 | Very high | 96.1 | Very high | 44 Ų | 44 | 45.4 Ų | 45.4 | 24% | 0.235 | 23% | 0.233 | C | C | . | . | trans | -74.1 | 121.5 | 177.8 | -168 | -29.1 | 0 | 0 | 0 | 110.4 | Q228 I229 N230 C234 Y235 | Q228-N232 PolarHBondContact O-N 3.03Å; I229-N232 WeakPolarHBondContact O-CB 3.44Å; I229-N232 PolarHBondContact O-N 3.33Å; I229-N232 VanDerWaalsContact O-N 3.16Å; N230-N232 VanDerWaalsContact C-N 3.28Å; N232-C234 PolarHBondContact O-N 3.46Å; N232-C234 VanDerWaalsContact O-N 3.11Å; N232-C234 PolarHBondContact OD1-N 3Å; N232-C234 PolarHBondContact OD1-SG 3.5Å; N232-Y235 PolarHBondContact O-N 3.06Å; N232-Y235 VanDerWaalsContact O-N 3.09Å | ||
| 233 | P | 95.8 | Very high | 96.3 | Very high | 74 Ų | 74 | 48.1 Ų | 48.1 | 48% | 0.481 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19.8 | -179.6 | 26.5 | -36 | 0 | 0 | 0 | 113.2 | N231 Y235 P330 R331 | N231-P233 WeakPolarHBondContact O-CD 3.11Å; P233-Y235 VanDerWaalsContact C-N 3.25Å; P233-Y235 PolarHBondContact O-N 3.34Å; P233-P330 HydrophobicContact CB-CB 4.23Å; P233-P330 CarbonylContact O-C 3.55Å; P233-P330 WeakPolarHBondContact O-CA 3.34Å; P233-R331 WeakPolarHBondContact O-CB 3.43Å; P233-R331 PolarHBondContact O-N 3.02Å |
| 234 | C | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -4.8 | 177.8 | 82.3 | 0 | 0 | 0 | 0 | 114.2 | N232 W236 F256 L258 P328 | N232-C234 PolarHBondContact O-N 3.46Å; N232-C234 VanDerWaalsContact O-N 3.11Å; N232-C234 PolarHBondContact OD1-N 3Å; N232-C234 PolarHBondContact OD1-SG 3.5Å; C234-W236 VanDerWaalsContact O-CD1 3.3Å; C234-F256 HydrophobicContact CB-CE2 4.31Å; C234-L258 PolarHBondContact O-N 3.03Å; C234-P328 HydrophobicContact CB-CB 3.54Å |
| 235 | Y | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -88.8 | 115.1 | 176.5 | 178.1 | -123.2 | 0 | 0 | 0 | 111.4 | I229 N232 P233 L258 D260 F268 R331 F335 | I229-Y235 HydrophobicContact CG2-CD1 3.74Å; I229-Y235 HydrophobicContact CG2-CD2 3.82Å; I229-Y235 HydrophobicContact CG2-CE1 4.05Å; I229-Y235 HydrophobicContact CG2-CE2 4.12Å; I229-Y235 HydrophobicContact CG2-CG 3.61Å; I229-Y235 VanDerWaalsContact O-CB 3.25Å; I229-Y235 WeakPolarHBondContact O-CB 3.46Å; N232-Y235 PolarHBondContact O-N 3.06Å; N232-Y235 VanDerWaalsContact O-N 3.09Å; P233-Y235 VanDerWaalsContact C-N 3.25Å; P233-Y235 PolarHBondContact O-N 3.34Å; Y235-L258 WeakPolarHBondContact CA-O 3.49Å; Y235-L258 HydrophobicContact CD2-CB 4.22Å; Y235-L258 HydrophobicContact CD2-CD2 3.77Å; Y235-L258 HydrophobicContact CD2-CG 3.86Å; Y235-L258 HydrophobicContact CG-CD2 4.35Å; Y235-D260 VanDerWaalsContact CE2-OD1 3.32Å; Y235-D260 WeakPolarHBondContact CE2-OD1 3.48Å; Y235-D260 PolarHBondContact OH-OD1 3.13Å; Y235-F268 HydrophobicContact CE2-CD1 4.13Å; Y235-F268 AromaticContact CE2-CE1 3.91Å; Y235-F268 HydrophobicContact CE2-CE1 3.91Å; Y235-R331 WeakPolarHBondContact O-CD 3.22Å; Y235-R331 PolarHBondContact O-NH1 3.17Å; Y235-F335 AromaticContact CD1-CE2 3.56Å; Y235-F335 HydrophobicContact CD1-CE2 3.56Å; Y235-F335 AromaticContact CD1-CZ 3.61Å; Y235-F335 HydrophobicContact CD1-CZ 3.61Å; Y235-F335 AromaticContact CE1-CE2 3.64Å; Y235-F335 HydrophobicContact CE1-CE2 3.64Å; Y235-F335 AromaticContact CE1-CZ 3.63Å; Y235-F335 HydrophobicContact CE1-CZ 3.63Å; Y235-F335 HydrophobicContact CG-CZ 4.49Å |
| 236 | W | 98.2 | Very high | 96.9 | Very high | 11 Ų | 11 | 53.7 Ų | 53.7 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | trans | -94.6 | -6.1 | -176.7 | -75.4 | 68.9 | 0 | 0 | 0 | 113.8 | C234 L239 L247 L257 L258 L329 P330 R331 T332 F333 | C234-W236 VanDerWaalsContact O-CD1 3.3Å; W236-L239 HydrophobicContact CB-CB 4.31Å; W236-L239 HydrophobicContact CB-CD2 4.02Å; W236-L239 HydrophobicContact CG-CD2 4.3Å; W236-L247 HydrophobicContact CD2-CD1 4.18Å; W236-L247 HydrophobicContact CE3-CD1 3.78Å; W236-L247 HydrophobicContact CH2-CD1 3.75Å; W236-L247 HydrophobicContact CH2-CD2 4.04Å; W236-L247 HydrophobicContact CZ2-CD1 4.14Å; W236-L247 HydrophobicContact CZ3-CD1 3.55Å; W236-L247 HydrophobicContact CZ3-CD2 4.32Å; W236-L257 HydrophobicContact CG-CB 4.46Å; W236-L258 PolarHBondContact N-O 3.38Å; W236-L329 HydrophobicContact CZ2-CD2 4.03Å; W236-L329 HydrophobicContact CZ2-CG 4.11Å; W236-L329 PolarHBondContact NE1-O 2.97Å; W236-P330 VanDerWaalsContact CZ2-O 3.3Å; W236-P330 WeakPolarHBondContact CZ2-O 3.41Å; W236-R331 HydrophobicContact CD2-CB 4.33Å; W236-R331 HydrophobicContact CD2-CG 4.27Å; W236-R331 HydrophobicContact CE3-CG 4.36Å; W236-T332 HydrophobicContact CH2-CG2 4.47Å; W236-F333 AromaticContact CE3-CE1 3.72Å; W236-F333 HydrophobicContact CE3-CE1 3.72Å; W236-F333 HydrophobicContact CE3-CZ 4.42Å; W236-F333 HydrophobicContact CZ3-CD1 4.48Å; W236-F333 AromaticContact CZ3-CE1 3.91Å; W236-F333 HydrophobicContact CZ3-CE1 3.91Å | ||
| 237 | G | 96.7 | Very high | 97 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 69.6 | -139.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L239 R259 D260 | G237-L239 PolarHBondContact O-N 3.43Å; G237-R259 WeakPolarHBondContact O-CA 3.32Å; G237-D260 PolarHBondContact O-N 3.18Å |
| 238 | V | 95.7 | Very high | 97.1 | Very high | 93 Ų | 93 | 53.3 Ų | 53.3 | 56% | 0.564 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -67.9 | 102.8 | 177 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | W21 | W21-V238 HydrophobicContact CH2-CG1 4.33Å; W21-V238 HydrophobicContact CZ3-CG1 4.41Å |
| 239 | L | 96.1 | Very high | 97.1 | Very high | 17 Ų | 17 | 54.9 Ų | 54.9 | 9% | 0.089 | 27% | 0.27 | C | S | . | . | trans | -140.8 | 130.2 | 177.3 | -172.3 | 78.3 | 0 | 0 | 0 | 107.3 | W236 G237 E243 A244 L247 L257 R259 | W236-L239 HydrophobicContact CB-CB 4.31Å; W236-L239 HydrophobicContact CB-CD2 4.02Å; W236-L239 HydrophobicContact CG-CD2 4.3Å; G237-L239 PolarHBondContact O-N 3.43Å; L239-E243 HydrophobicContact CD1-CB 3.64Å; L239-E243 HydrophobicContact CD1-CG 4.5Å; L239-E243 HydrophobicContact CG-CB 4.02Å; L239-A244 HydrophobicContact CD2-CB 3.86Å; L239-L247 HydrophobicContact CD1-CD1 4.35Å; L239-L247 HydrophobicContact CD2-CD1 4Å; L239-L257 HydrophobicContact CD2-CD1 3.69Å; L239-L257 HydrophobicContact CD2-CD2 4.17Å; L239-R259 HydrophobicContact CB-CB 3.88Å; L239-R259 HydrophobicContact CD2-CB 4.47Å; L239-R259 WeakPolarHBondContact O-CD 3.32Å; L239-R259 PolarHBondContact O-NH1 3.28Å | ||
| 240 | N | 95.6 | Very high | 97 | Very high | 52 Ų | 52 | 58.3 Ų | 58.3 | 28% | 0.278 | 31% | 0.305 | S | S | . | . | trans | -81 | 170.5 | 179.4 | 75.4 | 53.8 | 0 | 0 | 0 | 111.4 | F242 E243 A244 | N240-F242 PolarHBondContact O-N 3.43Å; N240-F242 PolarHBondContact OD1-N 2.71Å; N240-E243 VanDerWaalsContact CG-OE2 3.3Å; N240-E243 PolarHBondContact N-OE2 3Å; N240-E243 WeakPolarHBondContact ND2-CG 3.47Å; N240-E243 PolarHBondContact ND2-OE1 2.91Å; N240-E243 PolarHBondContact ND2-OE2 3.46Å; N240-E243 WeakPolarHBondContact OD1-CG 3.49Å; N240-E243 PolarHBondContact OD1-N 3.38Å; N240-A244 PolarHBondContact O-N 3.32Å; N240-A244 VanDerWaalsContact O-N 3.15Å | ||
| 241 | R | 96.6 | Very high | 97 | Very high | 129 Ų | 129 | 61.6 Ų | 61.6 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.9 | -46.1 | -178.5 | -178.3 | -173.7 | 164.8 | 171.4 | -2.3 | 112.4 | A244 E245 H280 | R241-A244 WeakPolarHBondContact O-CB 3.47Å; R241-A244 PolarHBondContact O-N 3.02Å; R241-E245 IonicContact CZ-OE1 3.89Å; R241-E245 IonicContact NE-OE1 3.52Å; R241-E245 PolarHBondContact NE-OE1 3.39Å; R241-E245 IonicContact NH2-OE1 2.81Å; R241-E245 PolarHBondContact NH2-OE1 3.16Å; R241-E245 VanDerWaalsContact NH2-OE1 3.1Å; R241-E245 WeakPolarHBondContact O-CG 3.4Å; R241-E245 PolarHBondContact O-N 3.42Å; R241-H280 WeakPolarHBondContact CG-NE2 3.49Å; R241-H280 PolarHBondContact NE-CD2 3.41Å; R241-H280 PolarHBondContact NE-NE2 3.46Å |
| 242 | F | 97.3 | Very high | 97.1 | Very high | 146 Ų | 146 | 59 Ų | 59 | 64% | 0.64 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -69.4 | -40.2 | -174.8 | -57.4 | -72.3 | 0 | 0 | 0 | 111.7 | N240 A244 E245 E246 | N240-F242 PolarHBondContact O-N 3.43Å; N240-F242 PolarHBondContact OD1-N 2.71Å; F242-A244 VanDerWaalsContact C-N 3.29Å; F242-A244 PolarHBondContact O-N 3.16Å; F242-E245 WeakPolarHBondContact O-CB 2.97Å; F242-E245 PolarHBondContact O-N 2.64Å; F242-E245 VanDerWaalsContact O-N 3.12Å; F242-E246 PolarHBondContact O-N 3.45Å |
| 243 | E | 97.4 | Very high | 97.1 | Very high | 73 Ų | 73 | 61 Ų | 61 | 34% | 0.341 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61 | -39.6 | 173.3 | -70.3 | 168.4 | 161.2 | 0 | 0 | 111.5 | L239 N240 E246 L247 | L239-E243 HydrophobicContact CD1-CB 3.64Å; L239-E243 HydrophobicContact CD1-CG 4.5Å; L239-E243 HydrophobicContact CG-CB 4.02Å; N240-E243 VanDerWaalsContact CG-OE2 3.3Å; N240-E243 PolarHBondContact N-OE2 3Å; N240-E243 WeakPolarHBondContact ND2-CG 3.47Å; N240-E243 PolarHBondContact ND2-OE1 2.91Å; N240-E243 PolarHBondContact ND2-OE2 3.46Å; N240-E243 WeakPolarHBondContact OD1-CG 3.49Å; N240-E243 PolarHBondContact OD1-N 3.38Å; E243-E246 PolarHBondContact O-N 3.47Å; E243-L247 WeakPolarHBondContact O-CG 3.36Å; E243-L247 PolarHBondContact O-N 3.28Å; E243-L247 VanDerWaalsContact O-N 3.1Å |
| 244 | A | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L239 N240 R241 F242 L247 L248 L257 | L239-A244 HydrophobicContact CD2-CB 3.86Å; N240-A244 PolarHBondContact O-N 3.32Å; N240-A244 VanDerWaalsContact O-N 3.15Å; R241-A244 WeakPolarHBondContact O-CB 3.47Å; R241-A244 PolarHBondContact O-N 3.02Å; F242-A244 VanDerWaalsContact C-N 3.29Å; F242-A244 PolarHBondContact O-N 3.16Å; A244-L247 PolarHBondContact O-N 3.31Å; A244-L248 WeakPolarHBondContact O-CB 3.45Å; A244-L248 VanDerWaalsContact O-CG 3.26Å; A244-L248 WeakPolarHBondContact O-CG 3.24Å; A244-L248 PolarHBondContact O-N 3.4Å; A244-L248 VanDerWaalsContact O-N 3.09Å; A244-L257 HydrophobicContact CB-CD1 4.07Å; A244-L257 HydrophobicContact CB-CD2 4.34Å |
| 245 | E | 98.2 | Very high | 97.2 | Very high | 51 Ų | 51 | 57.7 Ų | 57.7 | 24% | 0.238 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 175.3 | -71.3 | 172.9 | 178.1 | 0 | 0 | 111.5 | R241 F242 L248 E249 H280 | R241-E245 IonicContact CZ-OE1 3.89Å; R241-E245 IonicContact NE-OE1 3.52Å; R241-E245 PolarHBondContact NE-OE1 3.39Å; R241-E245 IonicContact NH2-OE1 2.81Å; R241-E245 PolarHBondContact NH2-OE1 3.16Å; R241-E245 VanDerWaalsContact NH2-OE1 3.1Å; R241-E245 WeakPolarHBondContact O-CG 3.4Å; R241-E245 PolarHBondContact O-N 3.42Å; F242-E245 WeakPolarHBondContact O-CB 2.97Å; F242-E245 PolarHBondContact O-N 2.64Å; F242-E245 VanDerWaalsContact O-N 3.12Å; E245-L248 PolarHBondContact O-N 3.26Å; E245-E249 PolarHBondContact O-N 3.26Å; E245-H280 WeakPolarHBondContact CG-NE2 3.49Å; E245-H280 IonicContact OE1-CD2 3.41Å; E245-H280 IonicContact OE1-NE2 2.98Å; E245-H280 PolarHBondContact OE1-NE2 3.48Å; E245-H280 VanDerWaalsContact OE1-NE2 3.1Å |
| 246 | E | 98.1 | Very high | 97.2 | Very high | 146 Ų | 146 | 58.3 Ų | 58.3 | 68% | 0.682 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -61.7 | -41.9 | 175.5 | -71.2 | -175.5 | 175.9 | 0 | 0 | 112.3 | F242 E243 L248 E249 | F242-E246 PolarHBondContact O-N 3.45Å; E243-E246 PolarHBondContact O-N 3.47Å; E246-L248 VanDerWaalsContact C-N 3.32Å; E246-L248 PolarHBondContact O-N 3.38Å; E246-E249 PolarHBondContact O-N 2.85Å |
| 247 | L | 97.9 | Very high | 97.2 | Very high | 51 Ų | 51 | 57.8 Ų | 57.8 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.8 | -32 | 178.2 | -71.7 | 173 | 0 | 0 | 0 | 113 | W236 L239 E243 A244 Q251 L257 L329 | W236-L247 HydrophobicContact CD2-CD1 4.18Å; W236-L247 HydrophobicContact CE3-CD1 3.78Å; W236-L247 HydrophobicContact CH2-CD1 3.75Å; W236-L247 HydrophobicContact CH2-CD2 4.04Å; W236-L247 HydrophobicContact CZ2-CD1 4.14Å; W236-L247 HydrophobicContact CZ3-CD1 3.55Å; W236-L247 HydrophobicContact CZ3-CD2 4.32Å; L239-L247 HydrophobicContact CD1-CD1 4.35Å; L239-L247 HydrophobicContact CD2-CD1 4Å; E243-L247 WeakPolarHBondContact O-CG 3.36Å; E243-L247 PolarHBondContact O-N 3.28Å; E243-L247 VanDerWaalsContact O-N 3.1Å; A244-L247 PolarHBondContact O-N 3.31Å; L247-Q251 WeakPolarHBondContact O-CG 3.46Å; L247-L257 HydrophobicContact CB-CD2 4.33Å; L247-L257 HydrophobicContact CD1-CD2 4.18Å; L247-L329 HydrophobicContact CB-CD2 3.93Å |
| 248 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -89 | -9.5 | -179.4 | -67.9 | 171.3 | 0 | 0 | 0 | 113.1 | A244 E245 E246 G250 Q251 T255 L257 R273 L329 | A244-L248 WeakPolarHBondContact O-CB 3.45Å; A244-L248 VanDerWaalsContact O-CG 3.26Å; A244-L248 WeakPolarHBondContact O-CG 3.24Å; A244-L248 PolarHBondContact O-N 3.4Å; A244-L248 VanDerWaalsContact O-N 3.09Å; E245-L248 PolarHBondContact O-N 3.26Å; E246-L248 VanDerWaalsContact C-N 3.32Å; E246-L248 PolarHBondContact O-N 3.38Å; L248-G250 PolarHBondContact O-N 3.02Å; L248-Q251 WeakPolarHBondContact O-CB 3.38Å; L248-Q251 PolarHBondContact O-N 3.35Å; L248-Q251 VanDerWaalsContact O-N 3.16Å; L248-T255 HydrophobicContact CD2-CG2 3.86Å; L248-L257 HydrophobicContact CG-CD2 4.31Å; L248-R273 WeakPolarHBondContact O-CD 3.19Å; L248-L329 HydrophobicContact CD2-CD2 4.46Å |
| 249 | E | 97.3 | Very high | 97.4 | Very high | 144 Ų | 144 | 53.8 Ų | 53.8 | 67% | 0.673 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 129.7 | 178.2 | -168.9 | 174.6 | -162 | 0 | 0 | 110.7 | E245 E246 Q251 | E245-E249 PolarHBondContact O-N 3.26Å; E246-E249 PolarHBondContact O-N 2.85Å; E249-Q251 PolarHBondContact O-N 3.21Å; E249-Q251 VanDerWaalsContact O-N 3.12Å |
| 250 | G | 95.4 | Very high | 97.5 | Very high | 71 Ų | 71 | 53.5 Ų | 53.5 | 73% | 0.732 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | -0.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | L248 | L248-G250 PolarHBondContact O-N 3.02Š|
| 251 | Q | 97.8 | Very high | 97.5 | Very high | 75 Ų | 75 | 51.4 Ų | 51.4 | 35% | 0.35 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 153.4 | 174.9 | -64 | -60.1 | -25.1 | 0 | 0 | 111.5 | L247 L248 E249 T255 | L247-Q251 WeakPolarHBondContact O-CG 3.46Å; L248-Q251 WeakPolarHBondContact O-CB 3.38Å; L248-Q251 PolarHBondContact O-N 3.35Å; L248-Q251 VanDerWaalsContact O-N 3.16Å; E249-Q251 PolarHBondContact O-N 3.21Å; E249-Q251 VanDerWaalsContact O-N 3.12Å; Q251-T255 HydrophobicContact CB-CG2 3.91Å; Q251-T255 HydrophobicContact CG-CG2 4.15Å |
| 252 | P | 97.1 | Very high | 97.2 | Very high | 59 Ų | 59 | 48.1 Ų | 48.1 | 38% | 0.383 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 157.2 | 175.9 | 27.1 | -33.1 | 0 | 0 | 0 | 111.4 | T255 | P252-T255 WeakPolarHBondContact CD-OG1 3.36Å; P252-T255 WeakPolarHBondContact CG-OG1 3.42Å; P252-T255 VanDerWaalsContact O-CB 3.26Å; P252-T255 WeakPolarHBondContact O-CB 3.41Å; P252-T255 PolarHBondContact O-N 3.45Å; P252-T255 PolarHBondContact O-OG1 3.26Å |
| 253 | E | 95.9 | Very high | 96.9 | Very high | 87 Ų | 87 | 44.5 Ų | 44.5 | 41% | 0.407 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 143.7 | 174 | 177.9 | 155.2 | -150.2 | 0 | 0 | 112 | T255 R274 Y275 L324 | E253-T255 VanDerWaalsContact C-N 3.26Å; E253-T255 PolarHBondContact O-N 2.99Å; E253-R274 HydrophobicContact CG-CG 4.38Å; E253-R274 WeakPolarHBondContact OE1-CG 3.4Å; E253-Y275 PolarHBondContact OE1-N 2.76Å; E253-L324 HydrophobicContact CG-CD2 4.07Å |
| 254 | G | 96.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | -4.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F256 R273 L324 S326 R327 | G254-F256 PolarHBondContact O-N 2.8Å; G254-R273 PolarHBondContact N-O 3.26Å; G254-L324 WeakPolarHBondContact CA-O 3.33Å; G254-S326 WeakPolarHBondContact CA-OG 3.37Å; G254-S326 PolarHBondContact O-N 3.3Å; G254-R327 PolarHBondContact O-N 3.33Å |
| 255 | T | 98.3 | Very high | 96 | Very high | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 128.4 | 173.9 | -52.8 | 0 | 0 | 0 | 0 | 110.6 | L248 Q251 P252 E253 F272 R273 R327 L329 | L248-T255 HydrophobicContact CD2-CG2 3.86Å; Q251-T255 HydrophobicContact CB-CG2 3.91Å; Q251-T255 HydrophobicContact CG-CG2 4.15Å; P252-T255 WeakPolarHBondContact CD-OG1 3.36Å; P252-T255 WeakPolarHBondContact CG-OG1 3.42Å; P252-T255 VanDerWaalsContact O-CB 3.26Å; P252-T255 WeakPolarHBondContact O-CB 3.41Å; P252-T255 PolarHBondContact O-N 3.45Å; P252-T255 PolarHBondContact O-OG1 3.26Å; E253-T255 VanDerWaalsContact C-N 3.26Å; E253-T255 PolarHBondContact O-N 2.99Å; T255-F272 CarbonylContact O-C 3.54Å; T255-F272 VanDerWaalsContact O-CA 3.24Å; T255-F272 WeakPolarHBondContact O-CA 3.42Å; T255-R273 PolarHBondContact O-N 3.07Å; T255-R327 CarbonylContact C-O 3.54Å; T255-R327 VanDerWaalsContact CA-O 3.24Å; T255-R327 WeakPolarHBondContact CA-O 3.46Å; T255-L329 HydrophobicContact CG2-CB 4.06Å; T255-L329 HydrophobicContact CG2-CD1 4.32Å |
| 256 | F | 98.5 | Very high | 95.8 | Very high | 12 Ų | 12 | 49.4 Ų | 49.4 | 5% | 0.053 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 161.8 | -176 | 80 | -80.2 | 0 | 0 | 0 | 113.7 | C234 G254 V270 S271 F272 L309 L325 R327 P328 L329 | C234-F256 HydrophobicContact CB-CE2 4.31Å; G254-F256 PolarHBondContact O-N 2.8Å; F256-V270 HydrophobicContact CB-CG1 4.28Å; F256-V270 HydrophobicContact CD2-CG1 4.03Å; F256-S271 CarbonylContact C-O 3.59Å; F256-S271 VanDerWaalsContact CA-O 3.23Å; F256-S271 WeakPolarHBondContact CA-O 3.23Å; F256-F272 HydrophobicContact CB-CB 3.64Å; F256-L309 HydrophobicContact CE2-CD1 4.46Å; F256-L325 HydrophobicContact CB-CD2 3.71Å; F256-L325 VanDerWaalsContact CD1-C 3.42Å; F256-L325 HydrophobicContact CD1-CB 3.8Å; F256-L325 HydrophobicContact CD1-CD2 4.5Å; F256-L325 WeakPolarHBondContact CD1-O 3.44Å; F256-L325 HydrophobicContact CD2-CB 4.18Å; F256-L325 HydrophobicContact CD2-CD2 4.11Å; F256-L325 VanDerWaalsContact CE1-C 3.43Å; F256-L325 HydrophobicContact CE1-CB 3.94Å; F256-L325 WeakPolarHBondContact CE1-O 3.3Å; F256-L325 HydrophobicContact CE2-CB 4.3Å; F256-L325 HydrophobicContact CG-CB 3.92Å; F256-L325 HydrophobicContact CG-CD2 3.86Å; F256-L325 HydrophobicContact CG-CG 4.43Å; F256-L325 HydrophobicContact CZ-CB 4.18Å; F256-R327 VanDerWaalsContact CD1-C 3.49Å; F256-R327 WeakPolarHBondContact CD1-O 3.45Å; F256-R327 PolarHBondContact N-O 3.34Å; F256-P328 VanDerWaalsContact CE1-CA 3.47Å; F256-P328 HydrophobicContact CE1-CB 3.86Å; F256-P328 HydrophobicContact CE1-CG 4.46Å; F256-P328 VanDerWaalsContact CE1-N 3.34Å; F256-P328 HydrophobicContact CZ-CB 3.93Å; F256-L329 WeakPolarHBondContact O-CB 3.5Å; F256-L329 PolarHBondContact O-N 3.4Å |
| 257 | L | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 148 | 170.4 | 61.1 | 88.5 | 0 | 0 | 0 | 110.8 | W236 L239 A244 L247 L248 R259 V270 S271 L329 | W236-L257 HydrophobicContact CG-CB 4.46Å; L239-L257 HydrophobicContact CD2-CD1 3.69Å; L239-L257 HydrophobicContact CD2-CD2 4.17Å; A244-L257 HydrophobicContact CB-CD1 4.07Å; A244-L257 HydrophobicContact CB-CD2 4.34Å; L247-L257 HydrophobicContact CB-CD2 4.33Å; L247-L257 HydrophobicContact CD1-CD2 4.18Å; L248-L257 HydrophobicContact CG-CD2 4.31Å; L257-R259 HydrophobicContact CD1-CB 4.07Å; L257-R259 HydrophobicContact CD1-CG 4.06Å; L257-V270 WeakPolarHBondContact O-CA 3.47Å; L257-S271 PolarHBondContact N-O 2.91Å; L257-S271 PolarHBondContact O-N 3.05Å; L257-L329 HydrophobicContact CB-CB 4.42Å; L257-L329 HydrophobicContact CD2-CD2 3.89Å |
| 258 | L | 98.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 136.4 | 170 | -176.7 | 72 | 0 | 0 | 0 | 108.8 | I229 C234 Y235 W236 F268 V270 I283 V305 L309 | I229-L258 HydrophobicContact CG2-CD2 3.69Å; C234-L258 PolarHBondContact O-N 3.03Å; Y235-L258 WeakPolarHBondContact CA-O 3.49Å; Y235-L258 HydrophobicContact CD2-CB 4.22Å; Y235-L258 HydrophobicContact CD2-CD2 3.77Å; Y235-L258 HydrophobicContact CD2-CG 3.86Å; Y235-L258 HydrophobicContact CG-CD2 4.35Å; W236-L258 PolarHBondContact N-O 3.38Å; L258-F268 HydrophobicContact CD1-CB 4.02Å; L258-V270 HydrophobicContact CD1-CG2 3.85Å; L258-I283 HydrophobicContact CD1-CD1 3.61Å; L258-V305 HydrophobicContact CD1-CG1 4.28Å; L258-V305 HydrophobicContact CD2-CG1 4.09Å; L258-L309 HydrophobicContact CB-CD1 4.43Å; L258-L309 HydrophobicContact CD1-CD1 4.46Å; L258-L309 HydrophobicContact CD2-CD1 4.17Å |
| 259 | R | 98.3 | Very high | 95.6 | Very high | 11 Ų | 11 | 42.1 Ų | 42.1 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 164.4 | 177.9 | 58.9 | -179.1 | -171.6 | 69.4 | 6 | 110.8 | G237 L239 L257 F268 S269 S271 | G237-R259 WeakPolarHBondContact O-CA 3.32Å; L239-R259 HydrophobicContact CB-CB 3.88Å; L239-R259 HydrophobicContact CD2-CB 4.47Å; L239-R259 WeakPolarHBondContact O-CD 3.32Å; L239-R259 PolarHBondContact O-NH1 3.28Å; L257-R259 HydrophobicContact CD1-CB 4.07Å; L257-R259 HydrophobicContact CD1-CG 4.06Å; R259-F268 CarbonylContact O-C 3.45Å; R259-F268 WeakPolarHBondContact O-CA 3.45Å; R259-S269 WeakPolarHBondContact CG-O 3.33Å; R259-S269 PolarHBondContact N-O 3.41Å; R259-S269 PolarHBondContact O-N 3.13Å; R259-S269 VanDerWaalsContact O-O 3.11Å; R259-S271 PolarHBondContact NE-OG 2.82Å |
| 260 | D | 97.4 | Very high | 95.7 | Very high | 11 Ų | 11 | 35.2 Ų | 35.2 | 6% | 0.059 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 140.3 | 169.6 | -65.5 | -0.6 | 0 | 0 | 0 | 109.1 | Y235 G237 L267 Y370 | Y235-D260 VanDerWaalsContact CE2-OD1 3.32Å; Y235-D260 WeakPolarHBondContact CE2-OD1 3.48Å; Y235-D260 PolarHBondContact OH-OD1 3.13Å; G237-D260 PolarHBondContact O-N 3.18Å; D260-L267 WeakPolarHBondContact CA-O 3.45Å; D260-Y370 PolarHBondContact OD2-OH 2.93Å |
| 261 | S | 96.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 6% | 0.056 | 17% | 0.168 | C | C | . | . | trans | -72 | 143 | 174.8 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | W21 Q263 F266 L267 S269 | W21-S261 VanDerWaalsContact CZ2-O 3.26Å; W21-S261 WeakPolarHBondContact CZ2-O 3.49Å; S261-Q263 PolarHBondContact O-N 2.82Å; S261-Q263 PolarHBondContact OG-N 3.46Å; S261-F266 WeakPolarHBondContact CB-O 3.31Å; S261-L267 PolarHBondContact N-O 2.7Å; S261-S269 WeakPolarHBondContact CB-OG 3.33Å; S261-S269 PolarHBondContact OG-OG 2.84Å | ||
| 262 | A | 91.2 | Very high | 95.9 | Very high | 60 Ų | 60 | 28.9 Ų | 28.9 | 50% | 0.496 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -81.5 | -2.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113 | W21 | W21-A262 VanDerWaalsContact CH2-CA 3.44Å; W21-A262 HydrophobicContact CH2-CB 3.83Å; W21-A262 HydrophobicContact CZ3-CB 3.97Å |
| 263 | Q | 90.8 | Very high | 95.9 | Very high | 69 Ų | 69 | 28 Ų | 28 | 32% | 0.322 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -101.8 | 135.8 | 177.1 | -66.1 | -160.6 | -19.8 | 0 | 0 | 110.6 | S261 E265 F266 R282 | S261-Q263 PolarHBondContact O-N 2.82Å; S261-Q263 PolarHBondContact OG-N 3.46Å; Q263-E265 PolarHBondContact O-N 3.04Å; Q263-F266 HydrophobicContact CB-CD2 4.06Å; Q263-F266 PolarHBondContact O-N 2.59Å; Q263-R282 VanDerWaalsContact CD-NH2 3.31Å |
| 264 | D | 86.9 | Confident | 95.8 | Very high | 79 Ų | 79 | 24.8 Ų | 24.8 | 42% | 0.422 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -18.7 | -175.2 | -73.1 | -42.5 | 0 | 0 | 0 | 114.1 | R19 | R19-D264 WeakPolarHBondContact CB-OD1 3.37Å; R19-D264 WeakPolarHBondContact CD-OD1 3.4Å; R19-D264 IonicContact NE-OD1 3.07Å; R19-D264 PolarHBondContact NE-OD1 2.95Å; R19-D264 PolarHBondContact NH2-O 2.92Å |
| 265 | E | 89.8 | Confident | 95.8 | Very high | 108 Ų | 108 | 30.4 Ų | 30.4 | 51% | 0.505 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -24.2 | 178.3 | -67.9 | 67.7 | -138.8 | 0 | 0 | 113.6 | R13 Q263 | R13-E265 IonicContact CZ-OE1 2.8Å; R13-E265 IonicContact NH1-OE1 2.59Å; R13-E265 PolarHBondContact NH1-OE1 2.7Å; Q263-E265 PolarHBondContact O-N 3.04Å |
| 266 | F | 93.3 | Very high | 95.5 | Very high | 41 Ų | 41 | 34.9 Ų | 34.9 | 18% | 0.18 | 18% | 0.181 | C | C | . | . | trans | -122.6 | 139.9 | -172.6 | -55.1 | -83.2 | 0 | 0 | 0 | 109.5 | S261 Q263 R282 E284 | S261-F266 WeakPolarHBondContact CB-O 3.31Å; Q263-F266 HydrophobicContact CB-CD2 4.06Å; Q263-F266 PolarHBondContact O-N 2.59Å; F266-R282 HydrophobicContact CD1-CB 4.06Å; F266-R282 HydrophobicContact CD2-CB 4.39Å; F266-R282 HydrophobicContact CD2-CG 4.41Å; F266-R282 HydrophobicContact CE1-CB 4.39Å; F266-R282 HydrophobicContact CG-CB 4.06Å; F266-R282 HydrophobicContact CG-CG 4.48Å; F266-E284 HydrophobicContact CD1-CG 4.24Å; F266-E284 HydrophobicContact CE1-CB 4.26Å; F266-E284 HydrophobicContact CE1-CG 3.65Å | ||
| 267 | L | 95.3 | Very high | 95.4 | Very high | 37 Ų | 37 | 42.7 Ų | 42.7 | 19% | 0.194 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -78.9 | -43 | 175.5 | -66.2 | -180 | 0 | 0 | 0 | 111.5 | V223 D260 S261 H371 I372 | V223-L267 HydrophobicContact CG2-CD1 3.35Å; D260-L267 WeakPolarHBondContact CA-O 3.45Å; S261-L267 PolarHBondContact N-O 2.7Å; L267-H371 WeakPolarHBondContact CD1-O 3.27Å; L267-I372 HydrophobicContact CD1-CG2 3.57Å |
| 268 | F | 97.6 | Very high | 95.4 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 155.6 | -169.9 | -57.5 | -66.8 | 0 | 0 | 0 | 112.5 | V223 L226 I229 Y235 L258 R259 I283 V305 Y370 | V223-F268 HydrophobicContact CG1-CE2 4.16Å; V223-F268 HydrophobicContact CG2-CE2 4.16Å; L226-F268 HydrophobicContact CD1-CZ 4.31Å; I229-F268 HydrophobicContact CD1-CE2 3.85Å; I229-F268 HydrophobicContact CD1-CZ 3.84Å; I229-F268 HydrophobicContact CG2-CE1 4.48Å; Y235-F268 HydrophobicContact CE2-CD1 4.13Å; Y235-F268 AromaticContact CE2-CE1 3.91Å; Y235-F268 HydrophobicContact CE2-CE1 3.91Å; L258-F268 HydrophobicContact CD1-CB 4.02Å; R259-F268 CarbonylContact O-C 3.45Å; R259-F268 WeakPolarHBondContact O-CA 3.45Å; F268-I283 HydrophobicContact CB-CB 4.4Å; F268-I283 HydrophobicContact CB-CD1 3.85Å; F268-I283 PolarHBondContact O-N 3.19Å; F268-I283 VanDerWaalsContact O-N 3.1Å; F268-V305 HydrophobicContact CD2-CG2 4.02Å; F268-V305 HydrophobicContact CE2-CG2 4.24Å; F268-Y370 AromaticContact CE1-CD1 3.99Å; F268-Y370 HydrophobicContact CE1-CD1 3.99Å; F268-Y370 AromaticContact CE1-CE1 3.78Å; F268-Y370 HydrophobicContact CE1-CE1 3.78Å; F268-Y370 AromaticContact CZ-CD1 3.65Å; F268-Y370 HydrophobicContact CZ-CD1 3.65Å; F268-Y370 AromaticContact CZ-CE1 3.94Å; F268-Y370 HydrophobicContact CZ-CE1 3.94Å |
| 269 | S | 97.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 144 | 169.6 | -64.9 | 0 | 0 | 0 | 0 | 109.6 | R259 S261 A281 | R259-S269 WeakPolarHBondContact CG-O 3.33Å; R259-S269 PolarHBondContact N-O 3.41Å; R259-S269 PolarHBondContact O-N 3.13Å; R259-S269 VanDerWaalsContact O-O 3.11Å; S261-S269 WeakPolarHBondContact CB-OG 3.33Å; S261-S269 PolarHBondContact OG-OG 2.84Å; S269-A281 CarbonylContact C-O 3.47Å; S269-A281 WeakPolarHBondContact CA-O 3.37Å |
| 270 | V | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 133.5 | 170.7 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | F256 L257 L258 F272 H280 A281 I283 F292 L309 L325 | F256-V270 HydrophobicContact CB-CG1 4.28Å; F256-V270 HydrophobicContact CD2-CG1 4.03Å; L257-V270 WeakPolarHBondContact O-CA 3.47Å; L258-V270 HydrophobicContact CD1-CG2 3.85Å; V270-F272 HydrophobicContact CG1-CD1 4.38Å; V270-H280 CarbonylContact O-C 3.5Å; V270-H280 VanDerWaalsContact O-CA 3.29Å; V270-H280 WeakPolarHBondContact O-CA 3.37Å; V270-A281 PolarHBondContact N-O 2.94Å; V270-A281 PolarHBondContact O-N 2.91Å; V270-I283 HydrophobicContact CG2-CD1 3.83Å; V270-I283 HydrophobicContact CG2-CG1 4.27Å; V270-F292 HydrophobicContact CB-CE1 4.28Å; V270-F292 HydrophobicContact CG2-CE1 3.86Å; V270-F292 HydrophobicContact CG2-CZ 3.98Å; V270-L309 HydrophobicContact CG2-CD2 3.49Å; V270-L309 VanDerWaalsContact CG2-CD2 3.49Å; V270-L325 HydrophobicContact CG1-CD1 4.11Å; V270-L325 HydrophobicContact CG1-CD2 3.5Å; V270-L325 HydrophobicContact CG1-CG 4.48Å |
| 271 | S | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 129.4 | 170.1 | -52.2 | 0 | 0 | 0 | 0 | 107.8 | F256 L257 R259 L279 H280 | F256-S271 CarbonylContact C-O 3.59Å; F256-S271 VanDerWaalsContact CA-O 3.23Å; F256-S271 WeakPolarHBondContact CA-O 3.23Å; L257-S271 PolarHBondContact N-O 2.91Å; L257-S271 PolarHBondContact O-N 3.05Å; R259-S271 PolarHBondContact NE-OG 2.82Å; S271-L279 WeakPolarHBondContact CA-O 3.48Å; S271-H280 VanDerWaalsContact CB-ND1 3.33Å; S271-H280 WeakPolarHBondContact CB-ND1 3.38Å; S271-H280 PolarHBondContact OG-ND1 2.59Å |
| 272 | F | 98.2 | Very high | 95.2 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 5% | 0.053 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 158.9 | -171.6 | 64.5 | -82.4 | 0 | 0 | 0 | 112 | T255 F256 V270 R274 S278 L279 A281 P323 L325 | T255-F272 CarbonylContact O-C 3.54Å; T255-F272 VanDerWaalsContact O-CA 3.24Å; T255-F272 WeakPolarHBondContact O-CA 3.42Å; F256-F272 HydrophobicContact CB-CB 3.64Å; V270-F272 HydrophobicContact CG1-CD1 4.38Å; F272-R274 HydrophobicContact CD2-CB 4.07Å; F272-R274 HydrophobicContact CE2-CB 3.95Å; F272-S278 WeakPolarHBondContact O-CA 3.03Å; F272-L279 HydrophobicContact CD1-CB 4.35Å; F272-L279 HydrophobicContact CD2-CB 4.31Å; F272-L279 HydrophobicContact CE1-CB 3.84Å; F272-L279 HydrophobicContact CE2-CB 3.8Å; F272-L279 HydrophobicContact CE2-CD1 3.79Å; F272-L279 HydrophobicContact CE2-CG 4.37Å; F272-L279 HydrophobicContact CZ-CB 3.54Å; F272-L279 HydrophobicContact CZ-CD1 3.98Å; F272-L279 HydrophobicContact CZ-CG 4.42Å; F272-L279 PolarHBondContact N-O 3.09Å; F272-L279 PolarHBondContact O-N 2.91Å; F272-A281 HydrophobicContact CE1-CB 4.17Å; F272-P323 HydrophobicContact CD1-CB 4.29Å; F272-P323 HydrophobicContact CE1-CB 3.91Å; F272-P323 HydrophobicContact CE1-CG 4.36Å; F272-P323 HydrophobicContact CE2-CB 4.38Å; F272-P323 HydrophobicContact CZ-CB 3.95Å; F272-P323 HydrophobicContact CZ-CG 4.38Å; F272-L325 HydrophobicContact CB-CD2 3.83Å; F272-L325 HydrophobicContact CD1-CD2 4.3Å; F272-L325 HydrophobicContact CG-CD2 4.07Å |
| 273 | R | 97.6 | Very high | 95.5 | Very high | 42 Ų | 42 | 51.6 Ų | 51.6 | 16% | 0.158 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 120.9 | 179.5 | -165.8 | 75.5 | 175.8 | 166.4 | 0.3 | 109.8 | L248 G254 T255 S276 R277 S278 | L248-R273 WeakPolarHBondContact O-CD 3.19Å; G254-R273 PolarHBondContact N-O 3.26Å; T255-R273 PolarHBondContact O-N 3.07Å; R273-S276 VanDerWaalsContact CZ-C 3.42Å; R273-S276 VanDerWaalsContact CZ-O 3.23Å; R273-S276 PolarHBondContact NH2-O 3.41Å; R273-R277 WeakPolarHBondContact CA-O 3.29Å; R273-R277 WeakPolarHBondContact CD-O 3.49Å; R273-S278 VanDerWaalsContact NH1-N 3.17Å; R273-S278 PolarHBondContact NH1-OG 3.42Å |
| 274 | R | 95.4 | Very high | 95.7 | Very high | 18 Ų | 18 | 50.6 Ų | 50.6 | 7% | 0.068 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 143.2 | 175.5 | -155.7 | 179.3 | -175.8 | 168.3 | 6.9 | 110.8 | E253 F272 S276 R277 L279 L319 F320 E322 | E253-R274 HydrophobicContact CG-CG 4.38Å; E253-R274 WeakPolarHBondContact OE1-CG 3.4Å; F272-R274 HydrophobicContact CD2-CB 4.07Å; F272-R274 HydrophobicContact CE2-CB 3.95Å; R274-S276 PolarHBondContact O-N 2.96Å; R274-S276 VanDerWaalsContact O-N 3.15Å; R274-R277 PolarHBondContact N-O 2.92Å; R274-R277 WeakPolarHBondContact O-CA 3.43Å; R274-R277 PolarHBondContact O-N 3.47Å; R274-L279 HydrophobicContact CB-CD1 4.02Å; R274-L319 PolarHBondContact NH1-O 2.97Å; R274-L319 PolarHBondContact NH2-O 3.18Å; R274-F320 VanDerWaalsContact CZ-O 3.3Å; R274-F320 VanDerWaalsContact NH1-C 3.27Å; R274-F320 PolarHBondContact NH1-O 3.25Å; R274-F320 VanDerWaalsContact NH1-O 3.09Å; R274-E322 PolarHBondContact NH1-O 3.39Å |
| 275 | Y | 94.2 | Very high | 95.8 | Very high | 119 Ų | 119 | 49.5 Ų | 49.5 | 47% | 0.467 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 40.2 | -178.3 | -49.4 | -58.9 | 0 | 0 | 0 | 113.8 | E253 R277 F320 | E253-Y275 PolarHBondContact OE1-N 2.76Å; Y275-R277 PolarHBondContact O-N 3.07Å; Y275-R277 VanDerWaalsContact O-N 3.16Å; Y275-F320 WeakPolarHBondContact CE2-O 3.39Å; Y275-F320 VanDerWaalsContact OH-CA 3.27Å; Y275-F320 WeakPolarHBondContact OH-CA 3.38Å; Y275-F320 VanDerWaalsContact OH-CB 3.31Å; Y275-F320 WeakPolarHBondContact OH-CB 3.32Å; Y275-F320 PolarHBondContact OH-O 2.97Å |
| 276 | S | 93.2 | Very high | 95.7 | Very high | 98 Ų | 98 | 47.9 Ų | 47.9 | 69% | 0.685 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57 | 25.3 | -174.9 | -57.6 | 0 | 0 | 0 | 0 | 114.8 | R273 R274 | R273-S276 VanDerWaalsContact CZ-C 3.42Å; R273-S276 VanDerWaalsContact CZ-O 3.23Å; R273-S276 PolarHBondContact NH2-O 3.41Å; R274-S276 PolarHBondContact O-N 2.96Å; R274-S276 VanDerWaalsContact O-N 3.15Å |
| 277 | R | 96 | Very high | 95.3 | Very high | 177 Ų | 177 | 46.9 Ų | 46.9 | 67% | 0.668 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 148.6 | 176.4 | -65.4 | -178.6 | -179.2 | -120 | 0.4 | 110.8 | R273 R274 Y275 L279 | R273-R277 WeakPolarHBondContact CA-O 3.29Å; R273-R277 WeakPolarHBondContact CD-O 3.49Å; R274-R277 PolarHBondContact N-O 2.92Å; R274-R277 WeakPolarHBondContact O-CA 3.43Å; R274-R277 PolarHBondContact O-N 3.47Å; Y275-R277 PolarHBondContact O-N 3.07Å; Y275-R277 VanDerWaalsContact O-N 3.16Å; R277-L279 HydrophobicContact CB-CD2 4.41Å |
| 278 | S | 97.8 | Very high | 94.8 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 17% | 0.168 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 121.6 | 170.2 | -56.8 | 0 | 0 | 0 | 0 | 107.7 | F272 R273 | F272-S278 WeakPolarHBondContact O-CA 3.03Å; R273-S278 VanDerWaalsContact NH1-N 3.17Å; R273-S278 PolarHBondContact NH1-OG 3.42Å |
| 279 | L | 97.3 | Very high | 94.6 | Very high | 64 Ų | 64 | 56.5 Ų | 56.5 | 34% | 0.335 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 160.5 | -177.7 | -60.7 | 178.1 | 0 | 0 | 0 | 109.6 | S271 F272 R274 R277 | S271-L279 WeakPolarHBondContact CA-O 3.48Å; F272-L279 HydrophobicContact CD1-CB 4.35Å; F272-L279 HydrophobicContact CD2-CB 4.31Å; F272-L279 HydrophobicContact CE1-CB 3.84Å; F272-L279 HydrophobicContact CE2-CB 3.8Å; F272-L279 HydrophobicContact CE2-CD1 3.79Å; F272-L279 HydrophobicContact CE2-CG 4.37Å; F272-L279 HydrophobicContact CZ-CB 3.54Å; F272-L279 HydrophobicContact CZ-CD1 3.98Å; F272-L279 HydrophobicContact CZ-CG 4.42Å; F272-L279 PolarHBondContact N-O 3.09Å; F272-L279 PolarHBondContact O-N 2.91Å; R274-L279 HydrophobicContact CB-CD1 4.02Å; R277-L279 HydrophobicContact CB-CD2 4.41Å |
| 280 | H | 97.3 | Very high | 94.4 | Very high | 53 Ų | 53 | 56.6 Ų | 56.6 | 25% | 0.245 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 134.5 | -178.9 | -50.1 | -81 | 0 | 0 | 0 | 110.3 | R241 E245 V270 S271 | R241-H280 WeakPolarHBondContact CG-NE2 3.49Å; R241-H280 PolarHBondContact NE-CD2 3.41Å; R241-H280 PolarHBondContact NE-NE2 3.46Å; E245-H280 WeakPolarHBondContact CG-NE2 3.49Å; E245-H280 IonicContact OE1-CD2 3.41Å; E245-H280 IonicContact OE1-NE2 2.98Å; E245-H280 PolarHBondContact OE1-NE2 3.48Å; E245-H280 VanDerWaalsContact OE1-NE2 3.1Å; V270-H280 CarbonylContact O-C 3.5Å; V270-H280 VanDerWaalsContact O-CA 3.29Å; V270-H280 WeakPolarHBondContact O-CA 3.37Å; S271-H280 VanDerWaalsContact CB-ND1 3.33Å; S271-H280 WeakPolarHBondContact CB-ND1 3.38Å; S271-H280 PolarHBondContact OG-ND1 2.59Å |
| 281 | A | 96.7 | Very high | 94.3 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 13% | 0.132 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | S269 V270 F272 F292 P323 | S269-A281 CarbonylContact C-O 3.47Å; S269-A281 WeakPolarHBondContact CA-O 3.37Å; V270-A281 PolarHBondContact N-O 2.94Å; V270-A281 PolarHBondContact O-N 2.91Å; F272-A281 HydrophobicContact CE1-CB 4.17Å; A281-F292 HydrophobicContact CB-CD1 3.48Å; A281-F292 VanDerWaalsContact CB-CD1 3.48Å; A281-F292 HydrophobicContact CB-CE1 3.75Å; A281-F292 HydrophobicContact CB-CG 4.24Å; A281-P323 HydrophobicContact CB-CG 4.13Å |
| 282 | R | 96.7 | Very high | 94.1 | Very high | 113 Ų | 113 | 57.8 Ų | 57.8 | 43% | 0.426 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 140.6 | 174.2 | -62.3 | -175.5 | -168.8 | 131.5 | 8.9 | 108.2 | Q263 F266 E284 | Q263-R282 VanDerWaalsContact CD-NH2 3.31Å; F266-R282 HydrophobicContact CD1-CB 4.06Å; F266-R282 HydrophobicContact CD2-CB 4.39Å; F266-R282 HydrophobicContact CD2-CG 4.41Å; F266-R282 HydrophobicContact CE1-CB 4.39Å; F266-R282 HydrophobicContact CG-CB 4.06Å; F266-R282 HydrophobicContact CG-CG 4.48Å; R282-E284 PolarHBondContact O-N 3.3Å |
| 283 | I | 96.6 | Very high | 93.8 | Very high | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.036 | 28% | 0.28 | C | S | . | . | trans | -89.6 | 112 | 174.1 | -64 | 162.7 | 0 | 0 | 0 | 106.5 | L258 F268 V270 F290 F292 V305 L308 | L258-I283 HydrophobicContact CD1-CD1 3.61Å; F268-I283 HydrophobicContact CB-CB 4.4Å; F268-I283 HydrophobicContact CB-CD1 3.85Å; F268-I283 PolarHBondContact O-N 3.19Å; F268-I283 VanDerWaalsContact O-N 3.1Å; V270-I283 HydrophobicContact CG2-CD1 3.83Å; V270-I283 HydrophobicContact CG2-CG1 4.27Å; I283-F290 HydrophobicContact CG2-CB 3.92Å; I283-F290 HydrophobicContact CG2-CD1 3.89Å; I283-F290 HydrophobicContact CG2-CG 4.31Å; I283-F292 HydrophobicContact CG1-CD1 4.19Å; I283-F292 HydrophobicContact CG1-CE1 3.68Å; I283-F292 HydrophobicContact CG1-CZ 4.45Å; I283-V305 HydrophobicContact CD1-CG1 3.77Å; I283-L308 HydrophobicContact CG1-CD2 4.23Å; I283-L308 HydrophobicContact CG2-CD2 3.92Å | ||
| 284 | E | 94.9 | Very high | 93.3 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 23% | 0.229 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 157.7 | 176.5 | -48.9 | -155.4 | 146 | 0 | 0 | 109.7 | F266 R282 F290 S291 V294 | F266-E284 HydrophobicContact CD1-CG 4.24Å; F266-E284 HydrophobicContact CE1-CB 4.26Å; F266-E284 HydrophobicContact CE1-CG 3.65Å; R282-E284 PolarHBondContact O-N 3.3Å; E284-F290 WeakPolarHBondContact O-CA 3.25Å; E284-S291 PolarHBondContact N-O 3.34Å; E284-S291 PolarHBondContact O-N 3.43Å; E284-V294 HydrophobicContact CB-CB 4.33Å; E284-V294 HydrophobicContact CB-CG2 3.49Å; E284-V294 VanDerWaalsContact CB-CG2 3.49Å; E284-V294 WeakPolarHBondContact OE2-CB 3.32Å; E284-V294 PolarHBondContact OE2-N 2.94Å |
| 285 | Q | 90.4 | Very high | 92.9 | Very high | 55 Ų | 55 | 69.5 Ų | 69.5 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 133.8 | -178.1 | 172.5 | -102 | -34 | 0 | 0 | 109.8 | G287 R289 F290 I372 K373 | Q285-G287 PolarHBondContact NE2-O 3.42Å; Q285-R289 WeakPolarHBondContact CA-O 3.41Å; Q285-F290 HydrophobicContact CB-CD1 4.07Å; Q285-F290 HydrophobicContact CB-CE1 4.17Å; Q285-F290 HydrophobicContact CG-CD1 4.37Å; Q285-F290 HydrophobicContact CG-CE1 4.16Å; Q285-I372 HydrophobicContact CG-CB 3.96Å; Q285-I372 HydrophobicContact CG-CD1 3.84Å; Q285-I372 HydrophobicContact CG-CG1 4.46Å; Q285-I372 HydrophobicContact CG-CG2 4.09Å; Q285-K373 PolarHBondContact NE2-O 3.23Å; Q285-K373 PolarHBondContact OE1-O 3.44Å |
| 286 | N | 86.9 | Confident | 92.6 | Very high | 74 Ų | 74 | 66.7 Ų | 66.7 | 40% | 0.396 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 116.8 | 174.6 | -175.1 | 9.9 | 0 | 0 | 0 | 109.3 | K288 R289 V294 R301 | N286-K288 PolarHBondContact O-N 3.44Å; N286-R289 PolarHBondContact N-O 3.29Å; N286-R289 PolarHBondContact O-N 2.89Å; N286-R289 VanDerWaalsContact O-N 3.09Å; N286-V294 HydrophobicContact CB-CB 4.43Å; N286-V294 HydrophobicContact CB-CG1 3.68Å; N286-V294 HydrophobicContact CB-CG2 3.82Å; N286-R301 PolarHBondContact ND2-NH2 2.91Å |
| 287 | G | 84.6 | Confident | 92.2 | Very high | 20 Ų | 20 | 67.4 Ų | 67.4 | 21% | 0.206 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -121.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q285 | Q285-G287 PolarHBondContact NE2-O 3.42Š|
| 288 | K | 86 | Confident | 91.7 | Very high | 93 Ų | 93 | 64.7 Ų | 64.7 | 40% | 0.404 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 18.8 | 177.1 | -63.5 | -179.1 | 179.2 | 175.2 | 0 | 113.1 | W202 I221 N286 | W202-K288 PolarHBondContact O-NZ 2.98Å; I221-K288 HydrophobicContact CD1-CG 4.15Å; N286-K288 PolarHBondContact O-N 3.44Å |
| 289 | R | 92 | Very high | 91.2 | Very high | 150 Ų | 150 | 64.8 Ų | 64.8 | 57% | 0.566 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 150.5 | -175.1 | -60.7 | -170.2 | -176.3 | 176.4 | 2.1 | 113.1 | Q285 N286 R301 D302 | Q285-R289 WeakPolarHBondContact CA-O 3.41Å; N286-R289 PolarHBondContact N-O 3.29Å; N286-R289 PolarHBondContact O-N 2.89Å; N286-R289 VanDerWaalsContact O-N 3.09Å; R289-R301 HydrophobicContact CB-CB 4.16Å; R289-D302 CarbonylContact C-O 3.51Å; R289-D302 WeakPolarHBondContact CA-O 3.46Å |
| 290 | F | 94.9 | Very high | 91 | Very high | 5 Ų | 5 | 65.7 Ų | 65.7 | 2% | 0.022 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 137.6 | 179.6 | -59.7 | -81.5 | 0 | 0 | 0 | 110.9 | V223 P224 I283 E284 Q285 R301 D302 A303 V305 L308 I372 | V223-F290 HydrophobicContact CG1-CZ 4.44Å; P224-F290 HydrophobicContact CG-CE2 4.32Å; I283-F290 HydrophobicContact CG2-CB 3.92Å; I283-F290 HydrophobicContact CG2-CD1 3.89Å; I283-F290 HydrophobicContact CG2-CG 4.31Å; E284-F290 WeakPolarHBondContact O-CA 3.25Å; Q285-F290 HydrophobicContact CB-CD1 4.07Å; Q285-F290 HydrophobicContact CB-CE1 4.17Å; Q285-F290 HydrophobicContact CG-CD1 4.37Å; Q285-F290 HydrophobicContact CG-CE1 4.16Å; F290-R301 VanDerWaalsContact O-CA 3.27Å; F290-R301 WeakPolarHBondContact O-CA 3.4Å; F290-D302 PolarHBondContact N-O 3.48Å; F290-D302 PolarHBondContact O-N 2.8Å; F290-A303 WeakPolarHBondContact CE2-O 3.29Å; F290-V305 HydrophobicContact CD1-CG2 3.93Å; F290-V305 HydrophobicContact CD2-CG2 4.17Å; F290-V305 HydrophobicContact CE1-CG2 3.98Å; F290-V305 HydrophobicContact CE2-CG2 4.22Å; F290-V305 HydrophobicContact CG-CG2 4.02Å; F290-V305 HydrophobicContact CZ-CG2 4.12Å; F290-L308 HydrophobicContact CB-CD2 4.11Å; F290-I372 HydrophobicContact CE1-CD1 4.35Å; F290-I372 HydrophobicContact CE1-CG2 4.14Å; F290-I372 HydrophobicContact CZ-CD1 3.85Å; F290-I372 HydrophobicContact CZ-CG2 4.42Å |
| 291 | S | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 170.1 | 173.9 | 61.7 | 0 | 0 | 0 | 0 | 111.2 | E284 D293 Y300 | E284-S291 PolarHBondContact N-O 3.34Å; E284-S291 PolarHBondContact O-N 3.43Å; S291-D293 PolarHBondContact OG-O 3.23Å; S291-Y300 VanDerWaalsContact CB-O 3.24Å; S291-Y300 WeakPolarHBondContact CB-O 3.37Å |
| 292 | F | 94.9 | Very high | 90.8 | Very high | 24 Ų | 24 | 66.9 Ų | 66.9 | 11% | 0.105 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -86.2 | -17 | 175.5 | -69.8 | -63.1 | 0 | 0 | 0 | 113.9 | V270 A281 I283 M299 L308 Y312 P323 L325 | V270-F292 HydrophobicContact CB-CE1 4.28Å; V270-F292 HydrophobicContact CG2-CE1 3.86Å; V270-F292 HydrophobicContact CG2-CZ 3.98Å; A281-F292 HydrophobicContact CB-CD1 3.48Å; A281-F292 VanDerWaalsContact CB-CD1 3.48Å; A281-F292 HydrophobicContact CB-CE1 3.75Å; A281-F292 HydrophobicContact CB-CG 4.24Å; I283-F292 HydrophobicContact CG1-CD1 4.19Å; I283-F292 HydrophobicContact CG1-CE1 3.68Å; I283-F292 HydrophobicContact CG1-CZ 4.45Å; F292-M299 HydrophobicContact CB-CE 3.96Å; F292-L308 HydrophobicContact CD2-CD1 4.44Å; F292-L308 HydrophobicContact CD2-CD2 4.49Å; F292-L308 HydrophobicContact CE2-CD1 4.36Å; F292-L308 HydrophobicContact CE2-CD2 4.23Å; F292-L308 HydrophobicContact CE2-CG 4.11Å; F292-L308 HydrophobicContact CZ-CD2 4.25Å; F292-L308 HydrophobicContact CZ-CG 4.42Å; F292-Y312 AromaticContact CD2-CD2 3.93Å; F292-Y312 HydrophobicContact CD2-CD2 3.93Å; F292-Y312 AromaticContact CD2-CE2 3.51Å; F292-Y312 HydrophobicContact CD2-CE2 3.51Å; F292-Y312 AromaticContact CD2-CZ 3.92Å; F292-Y312 AromaticContact CE2-CD2 3.44Å; F292-Y312 HydrophobicContact CE2-CD2 3.44Å; F292-Y312 VanDerWaalsContact CE2-CD2 3.44Å; F292-Y312 AromaticContact CE2-CE2 3.53Å; F292-Y312 HydrophobicContact CE2-CE2 3.53Å; F292-Y312 HydrophobicContact CE2-CG 4.09Å; F292-P323 HydrophobicContact CD1-CG 4.4Å; F292-P323 HydrophobicContact CD2-CG 3.66Å; F292-P323 HydrophobicContact CE1-CG 4.44Å; F292-P323 HydrophobicContact CE2-CB 4.17Å; F292-P323 HydrophobicContact CE2-CG 3.7Å; F292-P323 HydrophobicContact CG-CG 4.03Å; F292-P323 HydrophobicContact CZ-CB 4.38Å; F292-P323 HydrophobicContact CZ-CG 4.11Å; F292-L325 HydrophobicContact CE2-CD1 4.48Å; F292-L325 HydrophobicContact CZ-CD1 4.12Å |
| 293 | D | 91.4 | Very high | 90.6 | Very high | 59 Ų | 59 | 63.4 Ų | 63.4 | 32% | 0.316 | 32% | 0.316 | S | S | . | . | trans | -144.6 | 122 | 170 | -168.2 | -27.3 | 0 | 0 | 0 | 107.4 | S291 R295 D296 M299 | S291-D293 PolarHBondContact OG-O 3.23Å; D293-R295 WeakPolarHBondContact OD1-CA 3.33Å; D293-R295 VanDerWaalsContact OD1-CB 3.28Å; D293-R295 WeakPolarHBondContact OD1-CB 3.39Å; D293-R295 PolarHBondContact OD1-N 3.34Å; D293-D296 HydrophobicContact CB-CB 4.39Å; D293-D296 PolarHBondContact OD1-N 3.21Å; D293-M299 HydrophobicContact CB-CE 4.4Å; D293-M299 HydrophobicContact CB-CG 4.24Å | ||
| 294 | V | 87.4 | Confident | 90.5 | Very high | 36 Ų | 36 | 63.6 Ų | 63.6 | 22% | 0.218 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -83.8 | -21.7 | 177.5 | 160 | 0 | 0 | 0 | 0 | 112.2 | E284 N286 R301 | E284-V294 HydrophobicContact CB-CB 4.33Å; E284-V294 HydrophobicContact CB-CG2 3.49Å; E284-V294 VanDerWaalsContact CB-CG2 3.49Å; E284-V294 WeakPolarHBondContact OE2-CB 3.32Å; E284-V294 PolarHBondContact OE2-N 2.94Å; N286-V294 HydrophobicContact CB-CB 4.43Å; N286-V294 HydrophobicContact CB-CG1 3.68Å; N286-V294 HydrophobicContact CB-CG2 3.82Å; V294-R301 PolarHBondContact O-NH2 3.46Å |
| 295 | R | 86.9 | Confident | 90.6 | Very high | 224 Ų | 224 | 61.3 Ų | 61.3 | 85% | 0.845 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -81.7 | -24.5 | -174.3 | -52.8 | 175 | 72.4 | -164.5 | 1.8 | 111.8 | D293 P297 | D293-R295 WeakPolarHBondContact OD1-CA 3.33Å; D293-R295 VanDerWaalsContact OD1-CB 3.28Å; D293-R295 WeakPolarHBondContact OD1-CB 3.39Å; D293-R295 PolarHBondContact OD1-N 3.34Å; R295-P297 WeakPolarHBondContact O-CD 3.39Å |
| 296 | D | 87.4 | Confident | 90.9 | Very high | 60 Ų | 60 | 59.2 Ų | 59.2 | 32% | 0.321 | 30% | 0.298 | S | S | . | . | trans | -89.1 | 112.3 | 173.4 | -171.1 | -12 | 0 | 0 | 0 | 111 | D293 C298 M299 | D293-D296 HydrophobicContact CB-CB 4.39Å; D293-D296 PolarHBondContact OD1-N 3.21Å; D296-C298 PolarHBondContact O-N 3.26Å; D296-C298 WeakPolarHBondContact OD1-CB 3.32Å; D296-C298 PolarHBondContact OD1-N 3.18Å; D296-M299 HydrophobicContact CB-CB 4.26Å; D296-M299 HydrophobicContact CB-CG 3.64Å; D296-M299 PolarHBondContact O-N 2.91Å | ||
| 297 | P | 84.1 | Confident | 91.3 | Very high | 113 Ų | 113 | 56 Ų | 56 | 73% | 0.734 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -21.7 | 177.9 | -17.6 | 32 | 0 | 0 | 0 | 114 | R295 M299 | R295-P297 WeakPolarHBondContact O-CD 3.39Å; P297-M299 VanDerWaalsContact C-N 3.34Å |
| 298 | C | 85.2 | Confident | 91.8 | Very high | 120 Ų | 120 | 55 Ų | 55 | 81% | 0.811 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -15.2 | -178.5 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | D296 | D296-C298 PolarHBondContact O-N 3.26Å; D296-C298 WeakPolarHBondContact OD1-CB 3.32Å; D296-C298 PolarHBondContact OD1-N 3.18Å |
| 299 | M | 88.7 | Confident | 92.3 | Very high | 25 Ų | 25 | 51 Ų | 51 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -69.2 | 139 | 178.9 | -76.6 | -72.7 | -79 | 0 | 0 | 111.2 | F292 D293 D296 P297 R301 | F292-M299 HydrophobicContact CB-CE 3.96Å; D293-M299 HydrophobicContact CB-CE 4.4Å; D293-M299 HydrophobicContact CB-CG 4.24Å; D296-M299 HydrophobicContact CB-CB 4.26Å; D296-M299 HydrophobicContact CB-CG 3.64Å; D296-M299 PolarHBondContact O-N 2.91Å; P297-M299 VanDerWaalsContact C-N 3.34Å; M299-R301 VanDerWaalsContact O-CG 3.31Å; M299-R301 WeakPolarHBondContact O-CG 3.4Å |
| 300 | Y | 91.9 | Very high | 92.5 | Very high | 84 Ų | 84 | 51.8 Ų | 51.8 | 33% | 0.329 | 26% | 0.259 | S | S | . | . | trans | -61.2 | 139.3 | 178.2 | -177.9 | -99.8 | 0 | 0 | 0 | 111.3 | S291 D302 L308 H311 Y312 | S291-Y300 VanDerWaalsContact CB-O 3.24Å; S291-Y300 WeakPolarHBondContact CB-O 3.37Å; Y300-D302 HydrophobicContact CE1-CB 3.95Å; Y300-D302 PolarHBondContact OH-OD2 3.05Å; Y300-L308 HydrophobicContact CD1-CD1 3.95Å; Y300-L308 HydrophobicContact CE1-CD1 4.48Å; Y300-H311 HydrophobicContact CD1-CB 3.62Å; Y300-H311 AromaticContact CD1-CD2 3.44Å; Y300-H311 VanDerWaalsContact CD1-CD2 3.44Å; Y300-H311 WeakPolarHBondContact CD1-CD2 3.44Å; Y300-H311 AromaticContact CD1-CG 3.37Å; Y300-H311 AromaticContact CD1-ND1 3.93Å; Y300-H311 AromaticContact CD2-CE1 3.53Å; Y300-H311 AromaticContact CD2-CG 3.95Å; Y300-H311 AromaticContact CD2-ND1 3.64Å; Y300-H311 AromaticContact CD2-NE2 3.77Å; Y300-H311 HydrophobicContact CE1-CB 3.31Å; Y300-H311 AromaticContact CE1-CG 3.45Å; Y300-H311 VanDerWaalsContact CE1-CG 3.45Å; Y300-H311 AromaticContact CE1-ND1 3.86Å; Y300-H311 AromaticContact CE2-CE1 3.89Å; Y300-H311 AromaticContact CE2-ND1 3.57Å; Y300-H311 HydrophobicContact CG-CB 4.36Å; Y300-H311 AromaticContact CG-CD2 3.43Å; Y300-H311 VanDerWaalsContact CG-CD2 3.43Å; Y300-H311 AromaticContact CG-CE1 3.73Å; Y300-H311 AromaticContact CG-CG 3.62Å; Y300-H311 AromaticContact CG-ND1 3.8Å; Y300-H311 AromaticContact CG-NE2 3.5Å; Y300-H311 AromaticContact CZ-CG 3.77Å; Y300-H311 AromaticContact CZ-ND1 3.67Å; Y300-Y312 HydrophobicContact CD1-CE2 4.45Å | ||
| 301 | R | 94.2 | Very high | 92.5 | Very high | 67 Ų | 67 | 54.9 Ų | 54.9 | 25% | 0.253 | 27% | 0.273 | S | S | . | . | trans | -133.3 | 139.4 | 179.5 | -36.8 | 180 | 102.9 | 156.7 | 14.2 | 109.6 | N286 R289 F290 V294 M299 | N286-R301 PolarHBondContact ND2-NH2 2.91Å; R289-R301 HydrophobicContact CB-CB 4.16Å; F290-R301 VanDerWaalsContact O-CA 3.27Å; F290-R301 WeakPolarHBondContact O-CA 3.4Å; V294-R301 PolarHBondContact O-NH2 3.46Å; M299-R301 VanDerWaalsContact O-CG 3.31Å; M299-R301 WeakPolarHBondContact O-CG 3.4Å | ||
| 302 | D | 95.2 | Very high | 92.4 | Very high | 27 Ų | 27 | 54.9 Ų | 54.9 | 14% | 0.144 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -128.1 | 154.9 | 179.4 | -163 | -74.7 | 0 | 0 | 0 | 110.6 | R289 F290 Y300 S304 G307 L308 | R289-D302 CarbonylContact C-O 3.51Å; R289-D302 WeakPolarHBondContact CA-O 3.46Å; F290-D302 PolarHBondContact N-O 3.48Å; F290-D302 PolarHBondContact O-N 2.8Å; Y300-D302 HydrophobicContact CE1-CB 3.95Å; Y300-D302 PolarHBondContact OH-OD2 3.05Å; D302-S304 WeakPolarHBondContact CB-O 3.3Å; D302-S304 PolarHBondContact O-N 3.33Å; D302-S304 WeakPolarHBondContact OD1-CA 3.34Å; D302-S304 PolarHBondContact OD1-N 3.08Å; D302-S304 PolarHBondContact OD1-OG 3.11Å; D302-G307 WeakPolarHBondContact OD2-CA 3.44Å; D302-L308 HydrophobicContact CB-CB 4.1Å |
| 303 | A | 93.4 | Very high | 92.4 | Very high | 39 Ų | 39 | 56 Ų | 56 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -74 | -11.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | L199 F290 | L199-A303 HydrophobicContact CD2-CB 3.73Å; L199-A303 HydrophobicContact CG-CB 4.43Å; F290-A303 WeakPolarHBondContact CE2-O 3.29Å |
| 304 | S | 95.2 | Very high | 92.5 | Very high | 12 Ų | 12 | 56.8 Ų | 56.8 | 8% | 0.084 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -131.9 | 147.8 | -176.1 | 68.7 | 0 | 0 | 0 | 0 | 111.2 | D225 D302 T306 G307 L308 | D225-S304 WeakPolarHBondContact OD2-CB 3.26Å; D302-S304 WeakPolarHBondContact CB-O 3.3Å; D302-S304 PolarHBondContact O-N 3.33Å; D302-S304 WeakPolarHBondContact OD1-CA 3.34Å; D302-S304 PolarHBondContact OD1-N 3.08Å; D302-S304 PolarHBondContact OD1-OG 3.11Å; S304-T306 VanDerWaalsContact C-N 3.32Å; S304-G307 VanDerWaalsContact OG-CA 3.32Å; S304-G307 WeakPolarHBondContact OG-CA 3.48Å; S304-G307 PolarHBondContact OG-N 3.35Å; S304-L308 PolarHBondContact O-N 2.97Å; S304-L308 VanDerWaalsContact O-N 3.14Å |
| 305 | V | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 173.7 | 173.3 | 0 | 0 | 0 | 0 | 110 | D225 I229 L258 F268 I283 F290 G307 L308 L309 | D225-V305 PolarHBondContact OD1-N 2.81Å; D225-V305 PolarHBondContact OD2-N 2.92Å; I229-V305 HydrophobicContact CD1-CB 3.76Å; I229-V305 HydrophobicContact CD1-CG1 4.17Å; I229-V305 HydrophobicContact CD1-CG2 3.99Å; I229-V305 HydrophobicContact CG1-CB 4.23Å; I229-V305 HydrophobicContact CG1-CG1 4.45Å; L258-V305 HydrophobicContact CD1-CG1 4.28Å; L258-V305 HydrophobicContact CD2-CG1 4.09Å; F268-V305 HydrophobicContact CD2-CG2 4.02Å; F268-V305 HydrophobicContact CE2-CG2 4.24Å; I283-V305 HydrophobicContact CD1-CG1 3.77Å; F290-V305 HydrophobicContact CD1-CG2 3.93Å; F290-V305 HydrophobicContact CD2-CG2 4.17Å; F290-V305 HydrophobicContact CE1-CG2 3.98Å; F290-V305 HydrophobicContact CE2-CG2 4.22Å; F290-V305 HydrophobicContact CG-CG2 4.02Å; F290-V305 HydrophobicContact CZ-CG2 4.12Å; V305-G307 PolarHBondContact O-N 2.94Å; V305-L308 WeakPolarHBondContact O-CB 3.32Å; V305-L308 PolarHBondContact O-N 3.37Å; V305-L309 HydrophobicContact CG1-CD1 4.42Å; V305-L309 HydrophobicContact CG1-CG 4.46Å; V305-L309 WeakPolarHBondContact O-CG 3.32Å; V305-L309 PolarHBondContact O-N 3.39Å |
| 306 | T | 96.1 | Very high | 92.7 | Very high | 11 Ų | 11 | 52.5 Ų | 52.5 | 7% | 0.067 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.1 | -37.9 | 178.5 | 50.2 | 0 | 0 | 0 | 0 | 113 | D225 Q228 I229 S304 L309 R310 | D225-T306 WeakPolarHBondContact OD2-CB 3.44Å; D225-T306 WeakPolarHBondContact OD2-CG2 3.4Å; D225-T306 PolarHBondContact OD2-N 2.72Å; D225-T306 PolarHBondContact OD2-OG1 2.84Å; Q228-T306 HydrophobicContact CB-CG2 3.98Å; I229-T306 HydrophobicContact CG1-CG2 4Å; S304-T306 VanDerWaalsContact C-N 3.32Å; T306-L309 PolarHBondContact O-N 3.46Å; T306-R310 PolarHBondContact O-N 3.27Å; T306-R310 VanDerWaalsContact O-N 3.08Å |
| 307 | G | 95.6 | Very high | 92.6 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 7% | 0.072 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D302 S304 V305 L309 R310 H311 | D302-G307 WeakPolarHBondContact OD2-CA 3.44Å; S304-G307 VanDerWaalsContact OG-CA 3.32Å; S304-G307 WeakPolarHBondContact OG-CA 3.48Å; S304-G307 PolarHBondContact OG-N 3.35Å; V305-G307 PolarHBondContact O-N 2.94Å; G307-L309 PolarHBondContact O-N 2.81Å; G307-R310 WeakPolarHBondContact O-CB 3.45Å; G307-R310 PolarHBondContact O-N 3.39Å; G307-R310 VanDerWaalsContact O-N 3.11Å; G307-H311 PolarHBondContact O-N 3.1Å |
| 308 | L | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.4 | -48.8 | 173.2 | -177.9 | 66.4 | 0 | 0 | 0 | 111.5 | I283 F290 F292 Y300 D302 S304 V305 R310 H311 Y312 | I283-L308 HydrophobicContact CG1-CD2 4.23Å; I283-L308 HydrophobicContact CG2-CD2 3.92Å; F290-L308 HydrophobicContact CB-CD2 4.11Å; F292-L308 HydrophobicContact CD2-CD1 4.44Å; F292-L308 HydrophobicContact CD2-CD2 4.49Å; F292-L308 HydrophobicContact CE2-CD1 4.36Å; F292-L308 HydrophobicContact CE2-CD2 4.23Å; F292-L308 HydrophobicContact CE2-CG 4.11Å; F292-L308 HydrophobicContact CZ-CD2 4.25Å; F292-L308 HydrophobicContact CZ-CG 4.42Å; Y300-L308 HydrophobicContact CD1-CD1 3.95Å; Y300-L308 HydrophobicContact CE1-CD1 4.48Å; D302-L308 HydrophobicContact CB-CB 4.1Å; S304-L308 PolarHBondContact O-N 2.97Å; S304-L308 VanDerWaalsContact O-N 3.14Å; V305-L308 WeakPolarHBondContact O-CB 3.32Å; V305-L308 PolarHBondContact O-N 3.37Å; L308-R310 VanDerWaalsContact C-N 3.3Å; L308-R310 PolarHBondContact O-N 3.46Å; L308-H311 PolarHBondContact O-N 3.49Å; L308-Y312 HydrophobicContact CD1-CD2 4.15Å; L308-Y312 HydrophobicContact CD1-CE2 3.7Å; L308-Y312 HydrophobicContact CG-CE2 4.49Å; L308-Y312 WeakPolarHBondContact O-CD2 3.4Å |
| 309 | L | 96.6 | Very high | 93 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.6 | -38 | 178 | -62.5 | 178.7 | 0 | 0 | 0 | 112.6 | F256 L258 V270 V305 T306 G307 Y312 S313 L325 | F256-L309 HydrophobicContact CE2-CD1 4.46Å; L258-L309 HydrophobicContact CB-CD1 4.43Å; L258-L309 HydrophobicContact CD1-CD1 4.46Å; L258-L309 HydrophobicContact CD2-CD1 4.17Å; V270-L309 HydrophobicContact CG2-CD2 3.49Å; V270-L309 VanDerWaalsContact CG2-CD2 3.49Å; V305-L309 HydrophobicContact CG1-CD1 4.42Å; V305-L309 HydrophobicContact CG1-CG 4.46Å; V305-L309 WeakPolarHBondContact O-CG 3.32Å; V305-L309 PolarHBondContact O-N 3.39Å; T306-L309 PolarHBondContact O-N 3.46Å; G307-L309 PolarHBondContact O-N 2.81Å; L309-Y312 PolarHBondContact O-N 3.26Å; L309-S313 PolarHBondContact O-N 3.14Å; L309-L325 HydrophobicContact CD2-CD1 3.59Å |
| 310 | R | 95.2 | Very high | 92.9 | Very high | 167 Ų | 167 | 53.3 Ų | 53.3 | 63% | 0.63 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -65.5 | -39.8 | 179.7 | -175.4 | -178.7 | -73.4 | 102.8 | -4.7 | 111.7 | T306 G307 L308 Y312 S313 | T306-R310 PolarHBondContact O-N 3.27Å; T306-R310 VanDerWaalsContact O-N 3.08Å; G307-R310 WeakPolarHBondContact O-CB 3.45Å; G307-R310 PolarHBondContact O-N 3.39Å; G307-R310 VanDerWaalsContact O-N 3.11Å; L308-R310 VanDerWaalsContact C-N 3.3Å; L308-R310 PolarHBondContact O-N 3.46Å; R310-Y312 VanDerWaalsContact C-N 3.3Å; R310-Y312 PolarHBondContact O-N 3.43Å; R310-S313 VanDerWaalsContact O-CB 3.32Å; R310-S313 WeakPolarHBondContact O-CB 3.47Å; R310-S313 PolarHBondContact O-N 3.01Å; R310-S313 VanDerWaalsContact O-N 3.16Å; R310-S313 PolarHBondContact O-OG 3.21Å |
| 311 | H | 94.3 | Very high | 92.5 | Very high | 69 Ų | 69 | 55.2 Ų | 55.2 | 32% | 0.319 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.3 | -43 | 177.8 | -179.9 | 79.8 | 0 | 0 | 0 | 112.3 | Y300 G307 L308 S313 | Y300-H311 HydrophobicContact CD1-CB 3.62Å; Y300-H311 AromaticContact CD1-CD2 3.44Å; Y300-H311 VanDerWaalsContact CD1-CD2 3.44Å; Y300-H311 WeakPolarHBondContact CD1-CD2 3.44Å; Y300-H311 AromaticContact CD1-CG 3.37Å; Y300-H311 AromaticContact CD1-ND1 3.93Å; Y300-H311 AromaticContact CD2-CE1 3.53Å; Y300-H311 AromaticContact CD2-CG 3.95Å; Y300-H311 AromaticContact CD2-ND1 3.64Å; Y300-H311 AromaticContact CD2-NE2 3.77Å; Y300-H311 HydrophobicContact CE1-CB 3.31Å; Y300-H311 AromaticContact CE1-CG 3.45Å; Y300-H311 VanDerWaalsContact CE1-CG 3.45Å; Y300-H311 AromaticContact CE1-ND1 3.86Å; Y300-H311 AromaticContact CE2-CE1 3.89Å; Y300-H311 AromaticContact CE2-ND1 3.57Å; Y300-H311 HydrophobicContact CG-CB 4.36Å; Y300-H311 AromaticContact CG-CD2 3.43Å; Y300-H311 VanDerWaalsContact CG-CD2 3.43Å; Y300-H311 AromaticContact CG-CE1 3.73Å; Y300-H311 AromaticContact CG-CG 3.62Å; Y300-H311 AromaticContact CG-ND1 3.8Å; Y300-H311 AromaticContact CG-NE2 3.5Å; Y300-H311 AromaticContact CZ-CG 3.77Å; Y300-H311 AromaticContact CZ-ND1 3.67Å; G307-H311 PolarHBondContact O-N 3.1Å; L308-H311 PolarHBondContact O-N 3.49Å; H311-S313 PolarHBondContact O-N 3Å |
| 312 | Y | 95.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 10.9 | -179.3 | -73.2 | -74.6 | 0 | 0 | 0 | 114.3 | F292 Y300 L308 L309 R310 E322 P323 L325 | F292-Y312 AromaticContact CD2-CD2 3.93Å; F292-Y312 HydrophobicContact CD2-CD2 3.93Å; F292-Y312 AromaticContact CD2-CE2 3.51Å; F292-Y312 HydrophobicContact CD2-CE2 3.51Å; F292-Y312 AromaticContact CD2-CZ 3.92Å; F292-Y312 AromaticContact CE2-CD2 3.44Å; F292-Y312 HydrophobicContact CE2-CD2 3.44Å; F292-Y312 VanDerWaalsContact CE2-CD2 3.44Å; F292-Y312 AromaticContact CE2-CE2 3.53Å; F292-Y312 HydrophobicContact CE2-CE2 3.53Å; F292-Y312 HydrophobicContact CE2-CG 4.09Å; Y300-Y312 HydrophobicContact CD1-CE2 4.45Å; L308-Y312 HydrophobicContact CD1-CD2 4.15Å; L308-Y312 HydrophobicContact CD1-CE2 3.7Å; L308-Y312 HydrophobicContact CG-CE2 4.49Å; L308-Y312 WeakPolarHBondContact O-CD2 3.4Å; L309-Y312 PolarHBondContact O-N 3.26Å; R310-Y312 VanDerWaalsContact C-N 3.3Å; R310-Y312 PolarHBondContact O-N 3.43Å; Y312-E322 HydrophobicContact CD1-CB 4.06Å; Y312-E322 HydrophobicContact CE1-CB 3.76Å; Y312-E322 HydrophobicContact CE1-CG 3.86Å; Y312-P323 WeakPolarHBondContact CB-O 3.47Å; Y312-P323 WeakPolarHBondContact CD1-O 3.4Å; Y312-L325 PolarHBondContact O-N 3.2Å |
| 313 | S | 94.5 | Very high | 92.2 | Very high | 48 Ų | 48 | 52.2 Ų | 52.2 | 34% | 0.336 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -24.8 | -176.7 | 70.3 | 0 | 0 | 0 | 0 | 114.4 | L309 R310 H311 P315 L325 S326 | L309-S313 PolarHBondContact O-N 3.14Å; R310-S313 VanDerWaalsContact O-CB 3.32Å; R310-S313 WeakPolarHBondContact O-CB 3.47Å; R310-S313 PolarHBondContact O-N 3.01Å; R310-S313 VanDerWaalsContact O-N 3.16Å; R310-S313 PolarHBondContact O-OG 3.21Å; H311-S313 PolarHBondContact O-N 3Å; S313-P315 WeakPolarHBondContact O-CD 3.25Å; S313-L325 WeakPolarHBondContact CA-O 3.42Å; S313-L325 WeakPolarHBondContact CB-O 3.45Å; S313-S326 VanDerWaalsContact O-CA 3.24Å; S313-S326 WeakPolarHBondContact O-CA 3.18Å; S313-S326 WeakPolarHBondContact O-CB 3.21Å |
| 314 | D | 92.4 | Very high | 92.3 | Very high | 74 Ų | 74 | 51.1 Ų | 51.1 | 40% | 0.396 | 27% | 0.273 | S | S | . | . | trans | -87.2 | 117.7 | -178.1 | -173.5 | -1.2 | 0 | 0 | 0 | 111.2 | A316 T317 C318 | D314-A316 PolarHBondContact O-N 3.19Å; D314-A316 WeakPolarHBondContact OD1-CB 3.27Å; D314-A316 PolarHBondContact OD1-N 3.42Å; D314-T317 PolarHBondContact O-N 3.18Å; D314-T317 PolarHBondContact O-OG1 3.18Å; D314-C318 WeakPolarHBondContact O-CB 3.48Å; D314-C318 PolarHBondContact O-N 3.45Å | ||
| 315 | P | 89.6 | Confident | 92.4 | Very high | 81 Ų | 81 | 50.6 Ų | 50.6 | 53% | 0.526 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25 | 174.8 | -18.8 | 31 | 0 | 0 | 0 | 114.2 | S313 L324 | S313-P315 WeakPolarHBondContact O-CD 3.25Å; P315-L324 HydrophobicContact CB-CD1 4.01Å; P315-L324 HydrophobicContact CG-CD1 4.1Å |
| 316 | A | 89.3 | Confident | 92.4 | Very high | 89 Ų | 89 | 52.5 Ų | 52.5 | 74% | 0.736 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -28.5 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | D314 | D314-A316 PolarHBondContact O-N 3.19Å; D314-A316 WeakPolarHBondContact OD1-CB 3.27Å; D314-A316 PolarHBondContact OD1-N 3.42Å |
| 317 | T | 85.9 | Confident | 92.4 | Very high | 84 Ų | 84 | 58.7 Ų | 58.7 | 52% | 0.515 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -9.5 | -179 | 61.3 | 0 | 0 | 0 | 0 | 113 | D314 | D314-T317 PolarHBondContact O-N 3.18Å; D314-T317 PolarHBondContact O-OG1 3.18Å |
| 318 | C | 88.9 | Confident | 92.5 | Very high | 16 Ų | 16 | 61.7 Ų | 61.7 | 11% | 0.108 | 32% | 0.323 | C | S | . | . | trans | -85.9 | 116.9 | -174.6 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | D314 P323 L324 | D314-C318 WeakPolarHBondContact O-CB 3.48Å; D314-C318 PolarHBondContact O-N 3.45Å; C318-P323 PolarHBondContact SG-O 2.71Å; C318-P323 VanDerWaalsContact SG-O 3.41Å; C318-L324 HydrophobicContact CB-CD1 3.99Å | ||
| 319 | L | 88.6 | Confident | 92.6 | Very high | 91 Ų | 91 | 63 Ų | 63 | 48% | 0.476 | 33% | 0.33 | S | S | . | . | trans | -68.1 | 160.1 | 177.3 | -59.3 | 175 | 0 | 0 | 0 | 111.3 | R274 F321 E322 | R274-L319 PolarHBondContact NH1-O 2.97Å; R274-L319 PolarHBondContact NH2-O 3.18Å; L319-F321 HydrophobicContact CB-CD1 4.11Å; L319-F321 HydrophobicContact CB-CE1 3.73Å; L319-F321 HydrophobicContact CB-CZ 3.98Å; L319-F321 HydrophobicContact CD1-CE1 3.68Å; L319-F321 HydrophobicContact CD1-CE2 4.34Å; L319-F321 HydrophobicContact CD1-CZ 3.4Å; L319-F321 VanDerWaalsContact CD1-CZ 3.4Å; L319-F321 HydrophobicContact CG-CE1 4.32Å; L319-F321 HydrophobicContact CG-CZ 4.34Å; L319-F321 PolarHBondContact O-N 2.63Å; L319-F321 VanDerWaalsContact O-N 3.13Å; L319-E322 HydrophobicContact CB-CG 3.97Å; L319-E322 PolarHBondContact N-OE2 3.45Å; L319-E322 PolarHBondContact O-N 3.07Å; L319-E322 VanDerWaalsContact O-N 3.13Å | ||
| 320 | F | 85.3 | Confident | 92.7 | Very high | 145 Ų | 145 | 66.2 Ų | 66.2 | 64% | 0.636 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -23.8 | -173.3 | 75.3 | -92.2 | 0 | 0 | 0 | 114.6 | R274 Y275 | R274-F320 VanDerWaalsContact CZ-O 3.3Å; R274-F320 VanDerWaalsContact NH1-C 3.27Å; R274-F320 PolarHBondContact NH1-O 3.25Å; R274-F320 VanDerWaalsContact NH1-O 3.09Å; Y275-F320 WeakPolarHBondContact CE2-O 3.39Å; Y275-F320 VanDerWaalsContact OH-CA 3.27Å; Y275-F320 WeakPolarHBondContact OH-CA 3.38Å; Y275-F320 VanDerWaalsContact OH-CB 3.31Å; Y275-F320 WeakPolarHBondContact OH-CB 3.32Å; Y275-F320 PolarHBondContact OH-O 2.97Å |
| 321 | F | 85 | Confident | 92.7 | Very high | 123 Ų | 123 | 60.8 Ų | 60.8 | 54% | 0.539 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -10.6 | -179.6 | 59.2 | -96 | 0 | 0 | 0 | 113.5 | L319 | L319-F321 HydrophobicContact CB-CD1 4.11Å; L319-F321 HydrophobicContact CB-CE1 3.73Å; L319-F321 HydrophobicContact CB-CZ 3.98Å; L319-F321 HydrophobicContact CD1-CE1 3.68Å; L319-F321 HydrophobicContact CD1-CE2 4.34Å; L319-F321 HydrophobicContact CD1-CZ 3.4Å; L319-F321 VanDerWaalsContact CD1-CZ 3.4Å; L319-F321 HydrophobicContact CG-CE1 4.32Å; L319-F321 HydrophobicContact CG-CZ 4.34Å; L319-F321 PolarHBondContact O-N 2.63Å; L319-F321 VanDerWaalsContact O-N 3.13Å |
| 322 | E | 91 | Very high | 92.9 | Very high | 22 Ų | 22 | 62.2 Ų | 62.2 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -80.2 | 166.1 | -177.1 | -71.6 | 179.8 | 148.8 | 0 | 0 | 112.5 | R274 Y312 L319 L324 | R274-E322 PolarHBondContact NH1-O 3.39Å; Y312-E322 HydrophobicContact CD1-CB 4.06Å; Y312-E322 HydrophobicContact CE1-CB 3.76Å; Y312-E322 HydrophobicContact CE1-CG 3.86Å; L319-E322 HydrophobicContact CB-CG 3.97Å; L319-E322 PolarHBondContact N-OE2 3.45Å; L319-E322 PolarHBondContact O-N 3.07Å; L319-E322 VanDerWaalsContact O-N 3.13Å; E322-L324 PolarHBondContact O-N 2.77Å |
| 323 | P | 92 | Very high | 92.9 | Very high | 9 Ų | 9 | 65.8 Ų | 65.8 | 6% | 0.058 | 36% | 0.36 | C | S | . | . | trans | -71.2 | 122.5 | 169.2 | -20.5 | 36.2 | 0 | 0 | 0 | 110 | F272 A281 F292 Y312 C318 L325 | F272-P323 HydrophobicContact CD1-CB 4.29Å; F272-P323 HydrophobicContact CE1-CB 3.91Å; F272-P323 HydrophobicContact CE1-CG 4.36Å; F272-P323 HydrophobicContact CE2-CB 4.38Å; F272-P323 HydrophobicContact CZ-CB 3.95Å; F272-P323 HydrophobicContact CZ-CG 4.38Å; A281-P323 HydrophobicContact CB-CG 4.13Å; F292-P323 HydrophobicContact CD1-CG 4.4Å; F292-P323 HydrophobicContact CD2-CG 3.66Å; F292-P323 HydrophobicContact CE1-CG 4.44Å; F292-P323 HydrophobicContact CE2-CB 4.17Å; F292-P323 HydrophobicContact CE2-CG 3.7Å; F292-P323 HydrophobicContact CG-CG 4.03Å; F292-P323 HydrophobicContact CZ-CB 4.38Å; F292-P323 HydrophobicContact CZ-CG 4.11Å; Y312-P323 WeakPolarHBondContact CB-O 3.47Å; Y312-P323 WeakPolarHBondContact CD1-O 3.4Å; C318-P323 PolarHBondContact SG-O 2.71Å; C318-P323 VanDerWaalsContact SG-O 3.41Å; P323-L325 HydrophobicContact CB-CD1 4.38Å; P323-L325 HydrophobicContact CB-CD2 3.89Å; P323-L325 HydrophobicContact CB-CG 4.05Å | ||
| 324 | L | 95.6 | Very high | 93 | Very high | 16 Ų | 16 | 68.8 Ų | 68.8 | 8% | 0.084 | 38% | 0.378 | C | S | . | . | trans | -92.3 | 109.4 | 171.5 | 178 | 62.2 | 0 | 0 | 0 | 109.2 | E253 G254 P315 C318 E322 | E253-L324 HydrophobicContact CG-CD2 4.07Å; G254-L324 WeakPolarHBondContact CA-O 3.33Å; P315-L324 HydrophobicContact CB-CD1 4.01Å; P315-L324 HydrophobicContact CG-CD1 4.1Å; C318-L324 HydrophobicContact CB-CD1 3.99Å; E322-L324 PolarHBondContact O-N 2.77Å | ||
| 325 | L | 96.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | trans | -116.9 | 48.5 | -170.1 | -50.7 | -174.9 | 0 | 0 | 0 | 112 | F256 V270 F272 F292 L309 Y312 S313 P323 | F256-L325 HydrophobicContact CB-CD2 3.71Å; F256-L325 VanDerWaalsContact CD1-C 3.42Å; F256-L325 HydrophobicContact CD1-CB 3.8Å; F256-L325 HydrophobicContact CD1-CD2 4.5Å; F256-L325 WeakPolarHBondContact CD1-O 3.44Å; F256-L325 HydrophobicContact CD2-CB 4.18Å; F256-L325 HydrophobicContact CD2-CD2 4.11Å; F256-L325 VanDerWaalsContact CE1-C 3.43Å; F256-L325 HydrophobicContact CE1-CB 3.94Å; F256-L325 WeakPolarHBondContact CE1-O 3.3Å; F256-L325 HydrophobicContact CE2-CB 4.3Å; F256-L325 HydrophobicContact CG-CB 3.92Å; F256-L325 HydrophobicContact CG-CD2 3.86Å; F256-L325 HydrophobicContact CG-CG 4.43Å; F256-L325 HydrophobicContact CZ-CB 4.18Å; V270-L325 HydrophobicContact CG1-CD1 4.11Å; V270-L325 HydrophobicContact CG1-CD2 3.5Å; V270-L325 HydrophobicContact CG1-CG 4.48Å; F272-L325 HydrophobicContact CB-CD2 3.83Å; F272-L325 HydrophobicContact CD1-CD2 4.3Å; F272-L325 HydrophobicContact CG-CD2 4.07Å; F292-L325 HydrophobicContact CE2-CD1 4.48Å; F292-L325 HydrophobicContact CZ-CD1 4.12Å; L309-L325 HydrophobicContact CD2-CD1 3.59Å; Y312-L325 PolarHBondContact O-N 3.2Å; S313-L325 WeakPolarHBondContact CA-O 3.42Å; S313-L325 WeakPolarHBondContact CB-O 3.45Å; P323-L325 HydrophobicContact CB-CD1 4.38Å; P323-L325 HydrophobicContact CB-CD2 3.89Å; P323-L325 HydrophobicContact CB-CG 4.05Å | ||
| 326 | S | 96.4 | Very high | 93.5 | Very high | 40 Ų | 40 | 65.2 Ų | 65.2 | 28% | 0.28 | 36% | 0.357 | S | S | . | . | trans | -84.5 | -23.7 | -171.2 | 61.4 | 0 | 0 | 0 | 0 | 114.5 | G254 S313 | G254-S326 WeakPolarHBondContact CA-OG 3.37Å; G254-S326 PolarHBondContact O-N 3.3Å; S313-S326 VanDerWaalsContact O-CA 3.24Å; S313-S326 WeakPolarHBondContact O-CA 3.18Å; S313-S326 WeakPolarHBondContact O-CB 3.21Å | ||
| 327 | R | 97.1 | Very high | 93.9 | Very high | 141 Ų | 141 | 67.2 Ų | 67.2 | 53% | 0.532 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 96.4 | -172.9 | -62.1 | 175.6 | 69.1 | 87.8 | 1.4 | 111.1 | G254 T255 F256 L329 | G254-R327 PolarHBondContact O-N 3.33Å; T255-R327 CarbonylContact C-O 3.54Å; T255-R327 VanDerWaalsContact CA-O 3.24Å; T255-R327 WeakPolarHBondContact CA-O 3.46Å; F256-R327 VanDerWaalsContact CD1-C 3.49Å; F256-R327 WeakPolarHBondContact CD1-O 3.45Å; F256-R327 PolarHBondContact N-O 3.34Å; R327-L329 PolarHBondContact O-N 2.75Å |
| 328 | P | 97.6 | Very high | 94.4 | Very high | 71 Ų | 71 | 68.1 Ų | 68.1 | 46% | 0.461 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 130 | 178.6 | 24.9 | -31.7 | 0 | 0 | 0 | 110.7 | C234 F256 P330 | C234-P328 HydrophobicContact CB-CB 3.54Å; F256-P328 VanDerWaalsContact CE1-CA 3.47Å; F256-P328 HydrophobicContact CE1-CB 3.86Å; F256-P328 HydrophobicContact CE1-CG 4.46Å; F256-P328 VanDerWaalsContact CE1-N 3.34Å; F256-P328 HydrophobicContact CZ-CB 3.93Å; P328-P330 VanDerWaalsContact O-CD 3.3Å; P328-P330 WeakPolarHBondContact O-CD 3.5Å |
| 329 | L | 98.1 | Very high | 94.8 | Very high | 26 Ų | 26 | 68.1 Ų | 68.1 | 14% | 0.136 | 35% | 0.352 | C | S | . | . | trans | -85.3 | 109.2 | 172 | -174.6 | 70.2 | 0 | 0 | 0 | 109.2 | W236 L247 L248 T255 F256 L257 R327 | W236-L329 HydrophobicContact CZ2-CD2 4.03Å; W236-L329 HydrophobicContact CZ2-CG 4.11Å; W236-L329 PolarHBondContact NE1-O 2.97Å; L247-L329 HydrophobicContact CB-CD2 3.93Å; L248-L329 HydrophobicContact CD2-CD2 4.46Å; T255-L329 HydrophobicContact CG2-CB 4.06Å; T255-L329 HydrophobicContact CG2-CD1 4.32Å; F256-L329 WeakPolarHBondContact O-CB 3.5Å; F256-L329 PolarHBondContact O-N 3.4Å; L257-L329 HydrophobicContact CB-CB 4.42Å; L257-L329 HydrophobicContact CD2-CD2 3.89Å; R327-L329 PolarHBondContact O-N 2.75Å | ||
| 330 | P | 97.7 | Very high | 95.2 | Very high | 77 Ų | 77 | 67 Ų | 67 | 50% | 0.5 | 35% | 0.346 | S | S | . | . | trans | -71.2 | 135.2 | -174.4 | 29.2 | -34.9 | 0 | 0 | 0 | 111.7 | P233 W236 P328 | P233-P330 HydrophobicContact CB-CB 4.23Å; P233-P330 CarbonylContact O-C 3.55Å; P233-P330 WeakPolarHBondContact O-CA 3.34Å; W236-P330 VanDerWaalsContact CZ2-O 3.3Å; W236-P330 WeakPolarHBondContact CZ2-O 3.41Å; P328-P330 VanDerWaalsContact O-CD 3.3Å; P328-P330 WeakPolarHBondContact O-CD 3.5Å | ||
| 331 | R | 96.4 | Very high | 95.8 | Very high | 53 Ų | 53 | 62.9 Ų | 62.9 | 20% | 0.2 | 33% | 0.334 | C | S | . | . | trans | -61.6 | 139.8 | 171.2 | -170.9 | -176.7 | 69.3 | -135.7 | 8.3 | 110.3 | P233 Y235 W236 F333 | P233-R331 WeakPolarHBondContact O-CB 3.43Å; P233-R331 PolarHBondContact O-N 3.02Å; Y235-R331 WeakPolarHBondContact O-CD 3.22Å; Y235-R331 PolarHBondContact O-NH1 3.17Å; W236-R331 HydrophobicContact CD2-CB 4.33Å; W236-R331 HydrophobicContact CD2-CG 4.27Å; W236-R331 HydrophobicContact CE3-CG 4.36Å; R331-F333 WeakPolarHBondContact CD-O 3.27Å; R331-F333 HydrophobicContact CG-CD1 3.68Å; R331-F333 HydrophobicContact CG-CD2 4.3Å; R331-F333 HydrophobicContact CG-CE1 3.53Å; R331-F333 HydrophobicContact CG-CE2 4.16Å; R331-F333 HydrophobicContact CG-CG 4.08Å; R331-F333 HydrophobicContact CG-CZ 3.78Å; R331-F333 PolarHBondContact NE-O 2.76Å | ||
| 332 | T | 97 | Very high | 96.4 | Very high | 99 Ų | 99 | 57.3 Ų | 57.3 | 61% | 0.607 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -103.4 | 8 | -174.2 | 54.8 | 0 | 0 | 0 | 0 | 114.4 | W236 | W236-T332 HydrophobicContact CH2-CG2 4.47Š|
| 333 | F | 95.6 | Very high | 96.7 | Very high | 76 Ų | 76 | 56.3 Ų | 56.3 | 33% | 0.333 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -139.4 | 155.3 | -178 | 60.2 | -89.3 | 0 | 0 | 0 | 111.4 | W28 W236 R331 F335 | W28-F333 HydrophobicContact CZ3-CD1 4.44Å; W236-F333 AromaticContact CE3-CE1 3.72Å; W236-F333 HydrophobicContact CE3-CE1 3.72Å; W236-F333 HydrophobicContact CE3-CZ 4.42Å; W236-F333 HydrophobicContact CZ3-CD1 4.48Å; W236-F333 AromaticContact CZ3-CE1 3.91Å; W236-F333 HydrophobicContact CZ3-CE1 3.91Å; R331-F333 WeakPolarHBondContact CD-O 3.27Å; R331-F333 HydrophobicContact CG-CD1 3.68Å; R331-F333 HydrophobicContact CG-CD2 4.3Å; R331-F333 HydrophobicContact CG-CE1 3.53Å; R331-F333 HydrophobicContact CG-CE2 4.16Å; R331-F333 HydrophobicContact CG-CG 4.08Å; R331-F333 HydrophobicContact CG-CZ 3.78Å; R331-F333 PolarHBondContact NE-O 2.76Å; F333-F335 HydrophobicContact CE2-CD1 4.05Å; F333-F335 HydrophobicContact CE2-CE1 4.01Å |
| 334 | P | 96.1 | Very high | 97 | Very high | 110 Ų | 110 | 59.5 Ų | 59.5 | 71% | 0.714 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -82.8 | 151.4 | 171 | 33.5 | -33.7 | 0 | 0 | 0 | 111.6 | ||
| 335 | F | 96.9 | Very high | 97 | Very high | 20 Ų | 20 | 61.9 Ų | 61.9 | 9% | 0.088 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 156.4 | 169.8 | -72.8 | -35.4 | 0 | 0 | 0 | 112.1 | N230 Y235 F333 H339 L340 | N230-F335 WeakPolarHBondContact OD1-CD2 3.24Å; N230-F335 WeakPolarHBondContact OD1-CE2 3.31Å; Y235-F335 AromaticContact CD1-CE2 3.56Å; Y235-F335 HydrophobicContact CD1-CE2 3.56Å; Y235-F335 AromaticContact CD1-CZ 3.61Å; Y235-F335 HydrophobicContact CD1-CZ 3.61Å; Y235-F335 AromaticContact CE1-CE2 3.64Å; Y235-F335 HydrophobicContact CE1-CE2 3.64Å; Y235-F335 AromaticContact CE1-CZ 3.63Å; Y235-F335 HydrophobicContact CE1-CZ 3.63Å; Y235-F335 HydrophobicContact CG-CZ 4.49Å; F333-F335 HydrophobicContact CE2-CD1 4.05Å; F333-F335 HydrophobicContact CE2-CE1 4.01Å; F335-H339 HydrophobicContact CB-CB 4.39Å; F335-H339 AromaticContact CD2-CD2 3.8Å; F335-L340 HydrophobicContact CB-CD2 3.98Å; F335-L340 HydrophobicContact CB-CG 4.2Å; F335-L340 HydrophobicContact CD2-CD2 4.39Å |
| 336 | P | 96.6 | Very high | 97 | Very high | 60 Ų | 60 | 62.3 Ų | 62.3 | 39% | 0.39 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 149.1 | 175.1 | 27 | -34 | 0 | 0 | 0 | 110.9 | Q338 H339 L340 | P336-Q338 PolarHBondContact O-N 2.97Å; P336-Q338 VanDerWaalsContact O-N 3.16Å; P336-H339 HydrophobicContact CG-CB 3.85Å; P336-H339 WeakPolarHBondContact O-CB 3.33Å; P336-H339 PolarHBondContact O-N 3.41Å; P336-L340 PolarHBondContact O-N 3.37Å |
| 337 | L | 97.8 | Very high | 97 | Very high | 131 Ų | 131 | 63.3 Ų | 63.3 | 69% | 0.686 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -53.9 | -40 | -178.3 | -179.8 | 61.1 | 0 | 0 | 0 | 112.2 | H339 L340 C341 | L337-H339 VanDerWaalsContact C-N 3.3Å; L337-H339 PolarHBondContact O-N 3.27Å; L337-L340 PolarHBondContact O-N 3.12Å; L337-C341 WeakPolarHBondContact O-CB 3.46Å; L337-C341 PolarHBondContact O-N 2.91Å; L337-C341 PolarHBondContact O-SG 3.38Å |
| 338 | Q | 96.8 | Very high | 96.9 | Very high | 103 Ų | 103 | 61.6 Ų | 61.6 | 48% | 0.481 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.2 | -40.9 | 177.8 | -172.3 | -178.4 | 1.6 | 0 | 0 | 112.7 | P336 R342 Y366 | P336-Q338 PolarHBondContact O-N 2.97Å; P336-Q338 VanDerWaalsContact O-N 3.16Å; Q338-R342 PolarHBondContact O-N 3.21Å; Q338-Y366 HydrophobicContact CG-CD1 4.39Å; Q338-Y366 HydrophobicContact CG-CE1 3.66Å |
| 339 | H | 97 | Very high | 96.8 | Very high | 17 Ų | 17 | 59.6 Ų | 59.6 | 8% | 0.079 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.2 | -42.9 | 177.7 | -173.7 | 113.7 | 0 | 0 | 0 | 111.2 | N230 F335 P336 L337 R342 A343 Y366 | N230-H339 PolarHBondContact OD1-CD2 3.06Å; N230-H339 PolarHBondContact OD1-NE2 3.46Å; F335-H339 HydrophobicContact CB-CB 4.39Å; F335-H339 AromaticContact CD2-CD2 3.8Å; P336-H339 HydrophobicContact CG-CB 3.85Å; P336-H339 WeakPolarHBondContact O-CB 3.33Å; P336-H339 PolarHBondContact O-N 3.41Å; L337-H339 VanDerWaalsContact C-N 3.3Å; L337-H339 PolarHBondContact O-N 3.27Å; H339-R342 PolarHBondContact CE1-NH2 2.97Å; H339-R342 PolarHBondContact ND1-NH2 3.35Å; H339-R342 WeakPolarHBondContact O-CB 3.21Å; H339-R342 PolarHBondContact O-N 3.48Å; H339-A343 PolarHBondContact O-N 3.37Å; H339-Y366 WeakPolarHBondContact CA-OH 3.44Å; H339-Y366 PolarHBondContact N-OH 3.36Å |
| 340 | L | 97.1 | Very high | 96.7 | Very high | 67 Ų | 67 | 61.3 Ų | 61.3 | 35% | 0.351 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 176.6 | -61.9 | 176.3 | 0 | 0 | 0 | 111.4 | F335 P336 L337 R342 A343 V344 | F335-L340 HydrophobicContact CB-CD2 3.98Å; F335-L340 HydrophobicContact CB-CG 4.2Å; F335-L340 HydrophobicContact CD2-CD2 4.39Å; P336-L340 PolarHBondContact O-N 3.37Å; L337-L340 PolarHBondContact O-N 3.12Å; L340-R342 VanDerWaalsContact C-N 3.34Å; L340-R342 PolarHBondContact O-N 3.2Å; L340-A343 PolarHBondContact O-N 3.02Å; L340-V344 PolarHBondContact O-N 2.92Å |
| 341 | C | 97.6 | Very high | 96.5 | Very high | 58 Ų | 58 | 59.3 Ų | 59.3 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 174.6 | -69.3 | 0 | 0 | 0 | 0 | 111.8 | L337 A343 V344 I345 | L337-C341 WeakPolarHBondContact O-CB 3.46Å; L337-C341 PolarHBondContact O-N 2.91Å; L337-C341 PolarHBondContact O-SG 3.38Å; C341-A343 PolarHBondContact O-N 2.8Å; C341-V344 PolarHBondContact O-N 3.34Å; C341-I345 WeakPolarHBondContact O-CB 3.33Å; C341-I345 VanDerWaalsContact O-CG1 3.25Å; C341-I345 WeakPolarHBondContact O-CG1 3.28Å; C341-I345 PolarHBondContact O-N 3.37Å |
| 342 | R | 97.5 | Very high | 96.3 | Very high | 6 Ų | 6 | 62.2 Ų | 62.2 | 2% | 0.023 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.5 | -46.8 | 175.3 | 170.7 | 177.3 | 67.8 | -175.3 | 3.7 | 111.8 | Q338 H339 L340 V344 I345 C346 Y366 L367 | Q338-R342 PolarHBondContact O-N 3.21Å; H339-R342 PolarHBondContact CE1-NH2 2.97Å; H339-R342 PolarHBondContact ND1-NH2 3.35Å; H339-R342 WeakPolarHBondContact O-CB 3.21Å; H339-R342 PolarHBondContact O-N 3.48Å; L340-R342 VanDerWaalsContact C-N 3.34Å; L340-R342 PolarHBondContact O-N 3.2Å; R342-V344 VanDerWaalsContact C-N 3.27Å; R342-V344 PolarHBondContact O-N 2.74Å; R342-I345 PolarHBondContact O-N 2.82Å; R342-C346 VanDerWaalsContact O-CB 3.27Å; R342-C346 WeakPolarHBondContact O-CB 3.34Å; R342-C346 PolarHBondContact O-N 3.14Å; R342-C346 PolarHBondContact O-SG 3.18Å; R342-Y366 HydrophobicContact CB-CD1 4.36Å; R342-Y366 HydrophobicContact CB-CE1 3.71Å; R342-Y366 VanDerWaalsContact CD-O 3.3Å; R342-Y366 WeakPolarHBondContact CD-O 3.45Å; R342-Y366 HydrophobicContact CG-CE1 4.24Å; R342-Y366 VanDerWaalsContact NH1-CE2 3.28Å; R342-Y366 PolarHBondContact NH1-O 3.37Å; R342-L367 HydrophobicContact CB-CD2 3.85Å; R342-L367 HydrophobicContact CG-CD2 3.74Å |
| 343 | A | 96.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 2% | 0.017 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58 | -42.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | L227 N230 H339 L340 C341 S347 | L227-A343 HydrophobicContact CD1-CB 4.13Å; N230-A343 HydrophobicContact CB-CB 3.99Å; H339-A343 PolarHBondContact O-N 3.37Å; L340-A343 PolarHBondContact O-N 3.02Å; C341-A343 PolarHBondContact O-N 2.8Å; A343-S347 PolarHBondContact O-N 3.14Å |
| 344 | V | 97.6 | Very high | 96.1 | Very high | 76 Ų | 76 | 55.2 Ų | 55.2 | 46% | 0.461 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.3 | -49.4 | 176.4 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | L227 L340 C341 R342 C346 S347 C348 | L227-V344 HydrophobicContact CD1-CG2 4.07Å; L340-V344 PolarHBondContact O-N 2.92Å; C341-V344 PolarHBondContact O-N 3.34Å; R342-V344 VanDerWaalsContact C-N 3.27Å; R342-V344 PolarHBondContact O-N 2.74Å; V344-C346 VanDerWaalsContact C-N 3.34Å; V344-C346 PolarHBondContact O-N 2.83Å; V344-S347 WeakPolarHBondContact O-CB 3.48Å; V344-S347 PolarHBondContact O-N 3.01Å; V344-S347 PolarHBondContact O-OG 2.85Å; V344-C348 PolarHBondContact O-N 3.18Å; V344-C348 PolarHBondContact O-SG 3.42Å |
| 345 | I | 97.2 | Very high | 96 | Very high | 65 Ų | 65 | 54.2 Ų | 54.2 | 33% | 0.333 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.1 | -47.1 | -179.8 | -67.7 | 164.3 | 0 | 0 | 0 | 110.5 | C341 R342 S347 C348 T349 L357 L367 | C341-I345 WeakPolarHBondContact O-CB 3.33Å; C341-I345 VanDerWaalsContact O-CG1 3.25Å; C341-I345 WeakPolarHBondContact O-CG1 3.28Å; C341-I345 PolarHBondContact O-N 3.37Å; R342-I345 PolarHBondContact O-N 2.82Å; I345-S347 PolarHBondContact O-N 2.81Å; I345-C348 PolarHBondContact O-N 3.33Å; I345-T349 HydrophobicContact CG2-CG2 4.39Å; I345-T349 WeakPolarHBondContact O-CG2 3.44Å; I345-T349 PolarHBondContact O-N 3.39Å; I345-L357 HydrophobicContact CG2-CD1 4.04Å; I345-L367 HydrophobicContact CB-CD2 4.18Å; I345-L367 HydrophobicContact CD1-CD2 4.29Å; I345-L367 HydrophobicContact CG2-CD1 3.85Å; I345-L367 HydrophobicContact CG2-CD2 4.05Å |
| 346 | C | 96.6 | Very high | 95.8 | Very high | 10 Ų | 10 | 56.6 Ų | 56.6 | 7% | 0.068 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.8 | -23.5 | 178.9 | -68.5 | 0 | 0 | 0 | 0 | 113.1 | L222 L226 R342 V344 C348 L367 | L222-C346 HydrophobicContact CD1-CB 4.08Å; L226-C346 HydrophobicContact CD2-CB 4.04Å; R342-C346 VanDerWaalsContact O-CB 3.27Å; R342-C346 WeakPolarHBondContact O-CB 3.34Å; R342-C346 PolarHBondContact O-N 3.14Å; R342-C346 PolarHBondContact O-SG 3.18Å; V344-C346 VanDerWaalsContact C-N 3.34Å; V344-C346 PolarHBondContact O-N 2.83Å; C346-C348 VanDerWaalsContact C-N 3.27Å; C346-L367 PolarHBondContact SG-O 2.95Å |
| 347 | S | 95.8 | Very high | 95.7 | Very high | 61 Ų | 61 | 56 Ų | 56 | 43% | 0.427 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -75.6 | -15.2 | 172.9 | 76.4 | 0 | 0 | 0 | 0 | 113.8 | A343 V344 I345 | A343-S347 PolarHBondContact O-N 3.14Å; V344-S347 WeakPolarHBondContact O-CB 3.48Å; V344-S347 PolarHBondContact O-N 3.01Å; V344-S347 PolarHBondContact O-OG 2.85Å; I345-S347 PolarHBondContact O-N 2.81Å |
| 348 | C | 95.9 | Very high | 95.7 | Very high | 105 Ų | 105 | 56 Ų | 56 | 71% | 0.709 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | 4.5 | -177.2 | -55.8 | 0 | 0 | 0 | 0 | 113.4 | V344 I345 C346 | V344-C348 PolarHBondContact O-N 3.18Å; V344-C348 PolarHBondContact O-SG 3.42Å; I345-C348 PolarHBondContact O-N 3.33Å; C346-C348 VanDerWaalsContact C-N 3.27Å |
| 349 | T | 95.1 | Very high | 95.6 | Very high | 30 Ų | 30 | 53.8 Ų | 53.8 | 18% | 0.184 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -141 | 164 | -177.1 | -170.7 | 0 | 0 | 0 | 0 | 111.6 | L222 I345 V354 | L222-T349 HydrophobicContact CD1-CG2 4.07Å; I345-T349 HydrophobicContact CG2-CG2 4.39Å; I345-T349 WeakPolarHBondContact O-CG2 3.44Å; I345-T349 PolarHBondContact O-N 3.39Å; T349-V354 HydrophobicContact CG2-CG2 3.84Å |
| 350 | T | 94.8 | Very high | 95.7 | Very high | 61 Ų | 61 | 56.4 Ų | 56.4 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | trans | -95.9 | 167.3 | 168.7 | 63.1 | 0 | 0 | 0 | 0 | 110.9 | W202 Q352 G353 V354 | W202-T350 HydrophobicContact CH2-CG2 3.58Å; W202-T350 HydrophobicContact CZ2-CG2 3.81Å; T350-Q352 VanDerWaalsContact C-N 3.28Å; T350-Q352 PolarHBondContact O-N 3.25Å; T350-G353 PolarHBondContact O-N 3.07Å; T350-G353 VanDerWaalsContact O-N 3.12Å; T350-G353 PolarHBondContact OG1-N 3.09Å; T350-V354 WeakPolarHBondContact O-CG2 3.45Å; T350-V354 PolarHBondContact O-N 3.34Å; T350-V354 VanDerWaalsContact O-N 3.16Å | ||
| 351 | Y | 94.1 | Very high | 95.6 | Very high | 35 Ų | 35 | 57.4 Ų | 57.4 | 14% | 0.137 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -42.1 | 175.2 | -173.7 | -90.1 | 0 | 0 | 0 | 112.6 | Y220 L222 R368 H371 | Y220-Y351 HydrophobicContact CD2-CE1 4.32Å; Y220-Y351 HydrophobicContact CG-CE1 4.25Å; Y220-Y351 VanDerWaalsContact O-CB 3.27Å; Y220-Y351 WeakPolarHBondContact O-CB 3.29Å; L222-Y351 HydrophobicContact CD2-CD2 3.9Å; L222-Y351 HydrophobicContact CG-CD2 4.37Å; Y351-R368 HydrophobicContact CD2-CB 4.43Å; Y351-R368 HydrophobicContact CD2-CG 3.97Å; Y351-R368 HydrophobicContact CE2-CB 3.77Å; Y351-R368 HydrophobicContact CE2-CG 3.61Å; Y351-R368 PolarHBondContact O-NE 3.12Å; Y351-R368 PolarHBondContact O-NH2 3.16Å; Y351-H371 HydrophobicContact CD2-CB 3.64Å; Y351-H371 HydrophobicContact CE2-CB 3.47Å; Y351-H371 VanDerWaalsContact CE2-CB 3.47Å; Y351-H371 AromaticContact CE2-CG 3.68Å; Y351-H371 AromaticContact CE2-ND1 3.9Å |
| 352 | Q | 93.3 | Very high | 95.5 | Very high | 115 Ų | 115 | 62.3 Ų | 62.3 | 54% | 0.537 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -39 | 175.8 | -60.8 | -58.9 | -16.3 | 0 | 0 | 111.6 | T350 V354 E355 | T350-Q352 VanDerWaalsContact C-N 3.28Å; T350-Q352 PolarHBondContact O-N 3.25Å; Q352-V354 PolarHBondContact O-N 3.04Å; Q352-V354 VanDerWaalsContact O-N 3.13Å; Q352-E355 PolarHBondContact O-N 3.25Å |
| 353 | G | 93.2 | Very high | 95.5 | Very high | 28 Ų | 28 | 65.1 Ų | 65.1 | 29% | 0.289 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -58.1 | -26.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | T350 E355 G356 | T350-G353 PolarHBondContact O-N 3.07Å; T350-G353 VanDerWaalsContact O-N 3.12Å; T350-G353 PolarHBondContact OG1-N 3.09Å; G353-E355 PolarHBondContact O-N 3Å; G353-G356 PolarHBondContact O-N 3.36Å; G353-G356 VanDerWaalsContact O-N 3.07Å |
| 354 | V | 95.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -59.5 | -30.8 | 175 | 177.6 | 0 | 0 | 0 | 0 | 112.7 | L222 T349 T350 Q352 G356 L357 R364 L367 R368 | L222-V354 HydrophobicContact CD1-CG2 4.32Å; T349-V354 HydrophobicContact CG2-CG2 3.84Å; T350-V354 WeakPolarHBondContact O-CG2 3.45Å; T350-V354 PolarHBondContact O-N 3.34Å; T350-V354 VanDerWaalsContact O-N 3.16Å; Q352-V354 PolarHBondContact O-N 3.04Å; Q352-V354 VanDerWaalsContact O-N 3.13Å; V354-G356 VanDerWaalsContact C-N 3.25Å; V354-G356 PolarHBondContact O-N 3.13Å; V354-L357 PolarHBondContact O-N 2.97Å; V354-R364 HydrophobicContact CG1-CB 3.89Å; V354-R364 HydrophobicContact CG1-CG 4.16Å; V354-R364 WeakPolarHBondContact CG1-O 3.47Å; V354-R364 VanDerWaalsContact O-CD 3.29Å; V354-R364 WeakPolarHBondContact O-CD 3.4Å; V354-L367 HydrophobicContact CG1-CB 3.98Å; V354-L367 HydrophobicContact CG1-CD1 4.11Å; V354-L367 HydrophobicContact CG2-CB 4.34Å; V354-R368 HydrophobicContact CB-CG 4.29Å; V354-R368 HydrophobicContact CG1-CG 4.1Å; V354-R368 HydrophobicContact CG2-CG 4.41Å |
| 355 | E | 92.8 | Very high | 95.4 | Very high | 88 Ų | 88 | 70.9 Ų | 70.9 | 41% | 0.411 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -60.7 | -37.8 | 175.9 | -88.2 | -38.7 | 137.5 | 0 | 0 | 111.8 | Q352 G353 L357 R364 R368 | Q352-E355 PolarHBondContact O-N 3.25Å; G353-E355 PolarHBondContact O-N 3Å; E355-L357 VanDerWaalsContact C-N 3.28Å; E355-L357 PolarHBondContact O-N 2.8Å; E355-R364 PolarHBondContact O-NH1 3.2Å; E355-R364 IonicContact OE2-CZ 2.85Å; E355-R364 IonicContact OE2-NH1 3.1Å; E355-R364 PolarHBondContact OE2-NH1 2.59Å; E355-R368 VanDerWaalsContact CD-NH2 3.28Å; E355-R368 IonicContact OE1-CZ 3.99Å; E355-R368 IonicContact OE1-NH1 2.71Å; E355-R368 PolarHBondContact OE1-NH1 3.26Å; E355-R368 IonicContact OE1-NH2 3.57Å; E355-R368 PolarHBondContact OE1-NH2 3.22Å |
| 356 | G | 93.3 | Very high | 95.3 | Very high | 70 Ų | 70 | 69.7 Ų | 69.7 | 72% | 0.722 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -80.1 | -5.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G353 V354 | G353-G356 PolarHBondContact O-N 3.36Å; G353-G356 VanDerWaalsContact O-N 3.07Å; V354-G356 VanDerWaalsContact C-N 3.25Å; V354-G356 PolarHBondContact O-N 3.13Å |
| 357 | L | 95.4 | Very high | 95.4 | Very high | 49 Ų | 49 | 69.5 Ų | 69.5 | 26% | 0.257 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -72.7 | 139.7 | 177.5 | -63 | 176.8 | 0 | 0 | 0 | 110.4 | I345 V354 E355 L359 L367 | I345-L357 HydrophobicContact CG2-CD1 4.04Å; V354-L357 PolarHBondContact O-N 2.97Å; E355-L357 VanDerWaalsContact C-N 3.28Å; E355-L357 PolarHBondContact O-N 2.8Å; L357-L359 HydrophobicContact CB-CD1 4.01Å; L357-L359 HydrophobicContact CB-CG 4.09Å; L357-L359 HydrophobicContact CD1-CD1 4.08Å; L357-L359 PolarHBondContact O-N 2.75Å; L357-L367 HydrophobicContact CD1-CD1 3.73Å |
| 358 | P | 96.6 | Very high | 95.3 | Very high | 129 Ų | 129 | 68.4 Ų | 68.4 | 84% | 0.838 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -76.2 | 60.1 | 178.1 | 33.5 | -36.9 | 0 | 0 | 0 | 111.2 | ||
| 359 | L | 95.8 | Very high | 95.2 | Very high | 57 Ų | 57 | 67.7 Ų | 67.7 | 30% | 0.298 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -124.5 | 146.7 | -175.7 | -65.2 | 176.4 | 0 | 0 | 0 | 111 | L357 L363 R364 L367 | L357-L359 HydrophobicContact CB-CD1 4.01Å; L357-L359 HydrophobicContact CB-CG 4.09Å; L357-L359 HydrophobicContact CD1-CD1 4.08Å; L357-L359 PolarHBondContact O-N 2.75Å; L359-L363 HydrophobicContact CB-CB 4.27Å; L359-L363 HydrophobicContact CD2-CD1 4.38Å; L359-R364 HydrophobicContact CB-CG 4Å; L359-R364 PolarHBondContact O-NE 2.7Å; L359-L367 HydrophobicContact CD1-CD1 3.72Å |
| 360 | P | 97.3 | Very high | 95.2 | Very high | 72 Ų | 72 | 67 Ų | 67 | 47% | 0.468 | 37% | 0.366 | S | S | . | . | trans | -52.1 | 147.8 | 170 | -26.1 | 33.6 | 0 | 0 | 0 | 112.2 | Q362 L363 R364 | P360-Q362 PolarHBondContact O-N 3.27Å; P360-Q362 VanDerWaalsContact O-N 3.14Å; P360-L363 PolarHBondContact O-N 3Å; P360-R364 PolarHBondContact O-N 2.67Å | ||
| 361 | P | 95.6 | Very high | 95.2 | Very high | 88 Ų | 88 | 66.4 Ų | 66.4 | 57% | 0.571 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -52 | -39.7 | -178.6 | -25.6 | 32.2 | 0 | 0 | 0 | 114 | L363 R364 E365 | P361-L363 VanDerWaalsContact C-N 3.31Å; P361-L363 PolarHBondContact O-N 3.35Å; P361-R364 PolarHBondContact O-N 2.8Å; P361-R364 VanDerWaalsContact O-N 3.14Å; P361-E365 PolarHBondContact O-N 2.94Å |
| 362 | Q | 96.5 | Very high | 95 | Very high | 161 Ų | 161 | 65.1 Ų | 65.1 | 75% | 0.752 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -60.4 | -37.6 | 178.3 | -66.2 | 175.5 | -20.5 | 0 | 0 | 113 | P360 Y366 | P360-Q362 PolarHBondContact O-N 3.27Å; P360-Q362 VanDerWaalsContact O-N 3.14Å; Q362-Y366 WeakPolarHBondContact O-CB 3.49Å; Q362-Y366 PolarHBondContact O-N 3.28Å |
| 363 | L | 96.4 | Very high | 94.8 | Very high | 66 Ų | 66 | 63.3 Ų | 63.3 | 35% | 0.346 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -75.2 | -34.1 | 176.9 | -69.9 | -174.6 | 0 | 0 | 0 | 111.5 | L359 P360 P361 E365 Y366 L367 | L359-L363 HydrophobicContact CB-CB 4.27Å; L359-L363 HydrophobicContact CD2-CD1 4.38Å; P360-L363 PolarHBondContact O-N 3Å; P361-L363 VanDerWaalsContact C-N 3.31Å; P361-L363 PolarHBondContact O-N 3.35Å; L363-E365 VanDerWaalsContact C-N 3.34Å; L363-Y366 WeakPolarHBondContact O-CB 3.27Å; L363-Y366 PolarHBondContact O-N 2.89Å; L363-L367 WeakPolarHBondContact O-CG 3.34Å; L363-L367 PolarHBondContact O-N 3.27Å |
| 364 | R | 96.3 | Very high | 94.2 | Very high | 55 Ų | 55 | 62.8 Ų | 62.8 | 21% | 0.208 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 173.5 | -67.5 | -173.4 | -73.1 | 152.7 | 13.5 | 111.2 | V354 E355 L359 P360 P361 L367 R368 | V354-R364 HydrophobicContact CG1-CB 3.89Å; V354-R364 HydrophobicContact CG1-CG 4.16Å; V354-R364 WeakPolarHBondContact CG1-O 3.47Å; V354-R364 VanDerWaalsContact O-CD 3.29Å; V354-R364 WeakPolarHBondContact O-CD 3.4Å; E355-R364 PolarHBondContact O-NH1 3.2Å; E355-R364 IonicContact OE2-CZ 2.85Å; E355-R364 IonicContact OE2-NH1 3.1Å; E355-R364 PolarHBondContact OE2-NH1 2.59Å; L359-R364 HydrophobicContact CB-CG 4Å; L359-R364 PolarHBondContact O-NE 2.7Å; P360-R364 PolarHBondContact O-N 2.67Å; P361-R364 PolarHBondContact O-N 2.8Å; P361-R364 VanDerWaalsContact O-N 3.14Å; R364-L367 PolarHBondContact O-N 3.33Å; R364-R368 WeakPolarHBondContact O-CG 3.36Å; R364-R368 PolarHBondContact O-N 3.12Å |
| 365 | E | 95.9 | Very high | 93 | Very high | 143 Ų | 143 | 67.2 Ų | 67.2 | 67% | 0.668 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.5 | -42 | 172.7 | -173.6 | 168.5 | -160.8 | 0 | 0 | 112 | P361 L363 L367 R368 Q369 | P361-E365 PolarHBondContact O-N 2.94Å; L363-E365 VanDerWaalsContact C-N 3.34Å; E365-L367 VanDerWaalsContact C-N 3.35Å; E365-L367 PolarHBondContact O-N 2.96Å; E365-R368 PolarHBondContact O-N 3.36Å; E365-R368 VanDerWaalsContact O-N 3.12Å; E365-Q369 PolarHBondContact O-N 3.46Å |
| 366 | Y | 96.6 | Very high | 91.1 | Very high | 41 Ų | 41 | 65.9 Ų | 65.9 | 16% | 0.161 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.3 | -41 | 175.3 | 177.9 | -103.7 | 0 | 0 | 0 | 113.5 | Q338 H339 R342 Q362 L363 R368 Q369 | Q338-Y366 HydrophobicContact CG-CD1 4.39Å; Q338-Y366 HydrophobicContact CG-CE1 3.66Å; H339-Y366 WeakPolarHBondContact CA-OH 3.44Å; H339-Y366 PolarHBondContact N-OH 3.36Å; R342-Y366 HydrophobicContact CB-CD1 4.36Å; R342-Y366 HydrophobicContact CB-CE1 3.71Å; R342-Y366 VanDerWaalsContact CD-O 3.3Å; R342-Y366 WeakPolarHBondContact CD-O 3.45Å; R342-Y366 HydrophobicContact CG-CE1 4.24Å; R342-Y366 VanDerWaalsContact NH1-CE2 3.28Å; R342-Y366 PolarHBondContact NH1-O 3.37Å; Q362-Y366 WeakPolarHBondContact O-CB 3.49Å; Q362-Y366 PolarHBondContact O-N 3.28Å; L363-Y366 WeakPolarHBondContact O-CB 3.27Å; L363-Y366 PolarHBondContact O-N 2.89Å; Y366-R368 VanDerWaalsContact C-N 3.28Å; Y366-R368 PolarHBondContact O-N 2.89Å; Y366-Q369 WeakPolarHBondContact O-CG 3.37Å; Y366-Q369 PolarHBondContact O-N 3.09Å |
| 367 | L | 96.9 | Very high | 88.7 | Confident | 6 Ų | 6 | 67.7 Ų | 67.7 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.8 | -31.6 | 176.3 | -69 | 177.1 | 0 | 0 | 0 | 112.1 | R342 I345 C346 V354 L357 L359 L363 R364 E365 Q369 | R342-L367 HydrophobicContact CB-CD2 3.85Å; R342-L367 HydrophobicContact CG-CD2 3.74Å; I345-L367 HydrophobicContact CB-CD2 4.18Å; I345-L367 HydrophobicContact CD1-CD2 4.29Å; I345-L367 HydrophobicContact CG2-CD1 3.85Å; I345-L367 HydrophobicContact CG2-CD2 4.05Å; C346-L367 PolarHBondContact SG-O 2.95Å; V354-L367 HydrophobicContact CG1-CB 3.98Å; V354-L367 HydrophobicContact CG1-CD1 4.11Å; V354-L367 HydrophobicContact CG2-CB 4.34Å; L357-L367 HydrophobicContact CD1-CD1 3.73Å; L359-L367 HydrophobicContact CD1-CD1 3.72Å; L363-L367 WeakPolarHBondContact O-CG 3.34Å; L363-L367 PolarHBondContact O-N 3.27Å; R364-L367 PolarHBondContact O-N 3.33Å; E365-L367 VanDerWaalsContact C-N 3.35Å; E365-L367 PolarHBondContact O-N 2.96Å; L367-Q369 VanDerWaalsContact C-N 3.34Å; L367-Q369 PolarHBondContact O-N 2.73Å |
| 368 | R | 95.3 | Very high | 85.9 | Confident | 37 Ų | 37 | 71.4 Ų | 71.4 | 14% | 0.14 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -2.8 | -179.6 | -76.4 | -180 | 173 | 161.8 | 4.6 | 115.4 | Y351 V354 E355 R364 E365 Y366 Y370 H371 | Y351-R368 HydrophobicContact CD2-CB 4.43Å; Y351-R368 HydrophobicContact CD2-CG 3.97Å; Y351-R368 HydrophobicContact CE2-CB 3.77Å; Y351-R368 HydrophobicContact CE2-CG 3.61Å; Y351-R368 PolarHBondContact O-NE 3.12Å; Y351-R368 PolarHBondContact O-NH2 3.16Å; V354-R368 HydrophobicContact CB-CG 4.29Å; V354-R368 HydrophobicContact CG1-CG 4.1Å; V354-R368 HydrophobicContact CG2-CG 4.41Å; E355-R368 VanDerWaalsContact CD-NH2 3.28Å; E355-R368 IonicContact OE1-CZ 3.99Å; E355-R368 IonicContact OE1-NH1 2.71Å; E355-R368 PolarHBondContact OE1-NH1 3.26Å; E355-R368 IonicContact OE1-NH2 3.57Å; E355-R368 PolarHBondContact OE1-NH2 3.22Å; R364-R368 WeakPolarHBondContact O-CG 3.36Å; R364-R368 PolarHBondContact O-N 3.12Å; E365-R368 PolarHBondContact O-N 3.36Å; E365-R368 VanDerWaalsContact O-N 3.12Å; Y366-R368 VanDerWaalsContact C-N 3.28Å; Y366-R368 PolarHBondContact O-N 2.89Å; R368-Y370 PolarHBondContact O-N 3.44Å; R368-H371 PolarHBondContact O-ND1 2.67Å |
| 369 | Q | 93.9 | Very high | 82.8 | Confident | 90 Ų | 90 | 70.1 Ų | 70.1 | 42% | 0.421 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -35.9 | -175.8 | -73.6 | 179.5 | -7.8 | 0 | 0 | 113.6 | E365 Y366 L367 H371 | E365-Q369 PolarHBondContact O-N 3.46Å; Y366-Q369 WeakPolarHBondContact O-CG 3.37Å; Y366-Q369 PolarHBondContact O-N 3.09Å; L367-Q369 VanDerWaalsContact C-N 3.34Å; L367-Q369 PolarHBondContact O-N 2.73Å; Q369-H371 PolarHBondContact O-N 2.75Å |
| 370 | Y | 94.8 | Very high | 79.7 | Confident | 17 Ų | 17 | 75.9 Ų | 75.9 | 7% | 0.067 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -98.6 | 71.3 | -179.7 | -66.7 | -99 | 0 | 0 | 0 | 110.2 | V223 L226 D260 F268 R368 | V223-Y370 PolarHBondContact N-O 3.42Å; L226-Y370 HydrophobicContact CD1-CD1 3.83Å; L226-Y370 HydrophobicContact CD1-CE1 4.47Å; L226-Y370 HydrophobicContact CD1-CG 3.87Å; L226-Y370 HydrophobicContact CD2-CG 4.26Å; D260-Y370 PolarHBondContact OD2-OH 2.93Å; F268-Y370 AromaticContact CE1-CD1 3.99Å; F268-Y370 HydrophobicContact CE1-CD1 3.99Å; F268-Y370 AromaticContact CE1-CE1 3.78Å; F268-Y370 HydrophobicContact CE1-CE1 3.78Å; F268-Y370 AromaticContact CZ-CD1 3.65Å; F268-Y370 HydrophobicContact CZ-CD1 3.65Å; F268-Y370 AromaticContact CZ-CE1 3.94Å; F268-Y370 HydrophobicContact CZ-CE1 3.94Å; R368-Y370 PolarHBondContact O-N 3.44Å |
| 371 | H | 93.4 | Very high | 78.8 | Confident | 48 Ų | 48 | 76.1 Ų | 76.1 | 22% | 0.222 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 152.3 | 175.3 | 69.8 | -96.3 | 0 | 0 | 0 | 111.4 | Y220 I221 L267 Y351 R368 Q369 | Y220-H371 AromaticContact CD1-CD2 3.36Å; Y220-H371 WeakPolarHBondContact CD1-CD2 3.37Å; Y220-H371 AromaticContact CD1-NE2 3.84Å; Y220-H371 AromaticContact CE1-CD2 3.86Å; Y220-H371 AromaticContact CE1-NE2 3.88Å; I221-H371 CarbonylContact O-C 3.59Å; I221-H371 WeakPolarHBondContact O-CA 3.38Å; I221-H371 WeakPolarHBondContact O-CB 3.37Å; L267-H371 WeakPolarHBondContact CD1-O 3.27Å; Y351-H371 HydrophobicContact CD2-CB 3.64Å; Y351-H371 HydrophobicContact CE2-CB 3.47Å; Y351-H371 VanDerWaalsContact CE2-CB 3.47Å; Y351-H371 AromaticContact CE2-CG 3.68Å; Y351-H371 AromaticContact CE2-ND1 3.9Å; R368-H371 PolarHBondContact O-ND1 2.67Å; Q369-H371 PolarHBondContact O-N 2.75Å |
| 372 | I | 91.1 | Very high | 77.9 | Confident | 7 Ų | 7 | 75.5 Ų | 75.5 | 4% | 0.036 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 152.8 | 174.4 | 58.9 | 167.5 | 0 | 0 | 0 | 109.5 | Y220 I221 V223 L267 Q285 F290 | Y220-I372 WeakPolarHBondContact CA-O 3.42Å; I221-I372 HydrophobicContact CD1-CD1 3.68Å; I221-I372 HydrophobicContact CD1-CG1 3.93Å; I221-I372 HydrophobicContact CG1-CD1 3.7Å; I221-I372 HydrophobicContact CG1-CG1 3.33Å; I221-I372 PolarHBondContact N-O 3.17Å; I221-I372 PolarHBondContact O-N 3.13Å; V223-I372 HydrophobicContact CG2-CG2 4.07Å; L267-I372 HydrophobicContact CD1-CG2 3.57Å; Q285-I372 HydrophobicContact CG-CB 3.96Å; Q285-I372 HydrophobicContact CG-CD1 3.84Å; Q285-I372 HydrophobicContact CG-CG1 4.46Å; Q285-I372 HydrophobicContact CG-CG2 4.09Å; F290-I372 HydrophobicContact CE1-CD1 4.35Å; F290-I372 HydrophobicContact CE1-CG2 4.14Å; F290-I372 HydrophobicContact CZ-CD1 3.85Å; F290-I372 HydrophobicContact CZ-CG2 4.42Å |
| 373 | K | 87.8 | Confident | 76.9 | Confident | 78 Ų | 78 | 70.7 Ų | 70.7 | 34% | 0.339 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 113.7 | -176.3 | -176.3 | -169.6 | 167 | -152.9 | 0 | 109 | T218 Y220 Q285 D375 | T218-K373 HydrophobicContact CG2-CD 4.46Å; Y220-K373 HydrophobicContact CD1-CB 4.2Å; Y220-K373 HydrophobicContact CD1-CG 4.46Å; Y220-K373 HydrophobicContact CE1-CB 4.04Å; Y220-K373 HydrophobicContact CE1-CG 4.09Å; Q285-K373 PolarHBondContact NE2-O 3.23Å; Q285-K373 PolarHBondContact OE1-O 3.44Å; K373-D375 WeakPolarHBondContact CE-OD1 3.3Å; K373-D375 IonicContact NZ-OD1 2.67Å; K373-D375 PolarHBondContact NZ-OD1 3.13Å; K373-D375 IonicContact NZ-OD2 3.57Å; K373-D375 PolarHBondContact O-N 3.14Å |
| 374 | C | 81.3 | Confident | 75.7 | Confident | 16 Ų | 16 | 71 Ų | 71 | 11% | 0.108 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 103 | 168.1 | -66.9 | 0 | 0 | 0 | 0 | 108.6 | D219 I221 G376 | D219-C374 HydrophobicContact CB-CB 4.41Å; D219-C374 PolarHBondContact N-O 2.86Å; D219-C374 WeakPolarHBondContact O-CA 3.49Å; D219-C374 WeakPolarHBondContact O-CB 2.92Å; D219-C374 PolarHBondContact O-N 3.02Å; I221-C374 WeakPolarHBondContact CD1-SG 3.49Å; C374-G376 PolarHBondContact O-N 2.76Å |
| 375 | D | 69.9 | Low | 74.5 | Confident | 93 Ų | 93 | 72 Ų | 72 | 50% | 0.497 | 46% | 0.461 | S | S | . | . | trans | -66.1 | 118.8 | 160.2 | -75 | -43 | 0 | 0 | 0 | 107.2 | K373 A377 | K373-D375 WeakPolarHBondContact CE-OD1 3.3Å; K373-D375 IonicContact NZ-OD1 2.67Å; K373-D375 PolarHBondContact NZ-OD1 3.13Å; K373-D375 IonicContact NZ-OD2 3.57Å; K373-D375 PolarHBondContact O-N 3.14Å; D375-A377 PolarHBondContact O-N 3.24Å | ||
| 376 | G | 53.6 | Low | 73 | Confident | 61 Ų | 61 | 67.3 Ų | 67.3 | 63% | 0.629 | 45% | 0.448 | S | S | * | . | trans | -51.1 | 123.8 | 178 | 0 | 0 | 0 | 0 | 0 | 109.2 | C374 C378 | C374-G376 PolarHBondContact O-N 2.76Å; G376-C378 PolarHBondContact O-N 3.47Å | ||
| 377 | A | 43 | Very low | 71.3 | Confident | 107 Ų | 107 | 69.1 Ų | 69.1 | 88% | 0.884 | 47% | 0.468 | S | S | * | . | trans | -64.7 | 85.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | D375 | D375-A377 PolarHBondContact O-N 3.24Š| ||
| 378 | C | 36.2 | Very low | 69.4 | Low | 127 Ų | 127 | 74 Ų | 74 | 86% | 0.858 | 50% | 0.502 | S | S | * | . | trans | -135.8 | 71.1 | 167.3 | -76.8 | 0 | 0 | 0 | 0 | 108.7 | G376 | G376-C378 PolarHBondContact O-N 3.47Š| ||
| 379 | A | 31.5 | Very low | 67.2 | Low | 103 Ų | 103 | 77.1 Ų | 77.1 | 85% | 0.851 | 53% | 0.532 | S | S | * | . | trans | -172.8 | 83.7 | 151.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 380 | A | 30.2 | Very low | 64.8 | Low | 178 Ų | 178 | 75.9 Ų | 75.9 | 100% | 1.471 | 54% | 0.542 | S | S | * | . | trans | -93.7 | 0 | 154 | 0 | 0 | 0 | 0 | 0 | 107.9 |
Retrieved 380 of 380 residues in 54.1 ms
(Link to these results)