| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.5 | Very low | 40.8 | Very low | 236 Ų | 236 | 160.6 Ų | 160.6 | 100% | 1.163 | 85% | 0.852 | S | S | * | * | 0 | 113.6 | 0 | -70.6 | 165.5 | 79.4 | 0 | 0 | 108 | |||||
| 2 | Q | 39.3 | Very low | 40.8 | Very low | 194 Ų | 194 | 160.2 Ų | 160.2 | 91% | 0.907 | 85% | 0.85 | S | S | * | * | trans | -179.5 | 117.3 | 137.1 | -100.2 | 163.4 | 18.2 | 0 | 0 | 108.3 | ||||
| 3 | K | 36.7 | Very low | 41.6 | Very low | 212 Ų | 212 | 160 Ų | 160 | 92% | 0.922 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 134.8 | -179.8 | -76.3 | 171.8 | 166.4 | -177.8 | 0 | 108.5 | ||
| 4 | V | 39.2 | Very low | 41.7 | Very low | 144 Ų | 144 | 157.4 Ų | 157.4 | 87% | 0.873 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 125 | 164.3 | 179.9 | 0 | 0 | 0 | 0 | 107.6 | ||
| 5 | E | 41.9 | Very low | 42.5 | Very low | 191 Ų | 191 | 154.6 Ų | 154.6 | 89% | 0.893 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 128.6 | 179.8 | -78 | 169.6 | 116.2 | 0 | 0 | 112.5 | ||
| 6 | G | 39 | Very low | 42.9 | Very low | 70 Ų | 70 | 152 Ų | 152 | 72% | 0.722 | 84% | 0.839 | S | S | * | * | trans | -95.7 | 110.6 | 165 | 0 | 0 | 0 | 0 | 0 | 110.1 | V8 | G6-V8 PolarHBondContact O-N 2.92Š| ||
| 7 | R | 41 | Very low | 43.5 | Very low | 231 Ų | 231 | 157.8 Ų | 157.8 | 87% | 0.872 | 85% | 0.845 | S | S | * | * | trans | -36.3 | 120.1 | 169.3 | -168.8 | -177.9 | -172.2 | -172.4 | 2.8 | 113.4 | ||||
| 8 | V | 42.6 | Very low | 44 | Very low | 139 Ų | 139 | 151.6 Ų | 151.6 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | trans | -81.1 | 114.2 | 168.9 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | G6 | G6-V8 PolarHBondContact O-N 2.92Š| ||
| 9 | T | 41.2 | Very low | 44.4 | Very low | 99 Ų | 99 | 150.8 Ų | 150.8 | 61% | 0.607 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 132.7 | 163.9 | 40.7 | 0 | 0 | 0 | 0 | 109.5 | V11 | T9-V11 PolarHBondContact O-N 2.91Š|
| 10 | P | 45.3 | Very low | 44.4 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 126.3 | -176.7 | 27.7 | -33.3 | 0 | 0 | 0 | 110.8 | N12 | P10-N12 PolarHBondContact O-N 2.99Š|
| 11 | V | 40.1 | Very low | 44.7 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 116.8 | 171.1 | 174.2 | 0 | 0 | 0 | 0 | 108.2 | T9 L13 | T9-V11 PolarHBondContact O-N 2.91Å; V11-L13 PolarHBondContact O-N 2.79Å |
| 12 | N | 41.4 | Very low | 44.8 | Very low | 155 Ų | 155 | 139 Ų | 139 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -61.3 | 113.5 | 167.6 | -88.4 | -62 | 0 | 0 | 0 | 109.3 | P10 P14 | P10-N12 PolarHBondContact O-N 2.99Å; N12-P14 WeakPolarHBondContact O-CD 3.37Å | ||
| 13 | L | 50.9 | Low | 45.4 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | -80.9 | 118.4 | 164.7 | -73.3 | 158.2 | 0 | 0 | 0 | 108.4 | V11 S15 | V11-L13 PolarHBondContact O-N 2.79Å; L13-S15 PolarHBondContact O-N 3.31Å | ||
| 14 | P | 43.1 | Very low | 45.8 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | trans | -73.2 | 99.4 | 162.5 | 28 | -29.4 | 0 | 0 | 0 | 108.6 | N12 S16 | N12-P14 WeakPolarHBondContact O-CD 3.37Å; P14-S16 PolarHBondContact O-N 3.07Å | ||
| 15 | S | 52.8 | Low | 46.4 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -52 | 114.7 | 156.8 | -179 | 0 | 0 | 0 | 0 | 109.4 | L13 | L13-S15 PolarHBondContact O-N 3.31Š| ||
| 16 | S | 49.7 | Very low | 47 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | trans | -144.5 | 65.1 | 155.7 | -165.1 | 0 | 0 | 0 | 0 | 109.2 | P14 G18 | P14-S16 PolarHBondContact O-N 3.07Å; S16-G18 PolarHBondContact O-N 2.96Å; S16-G18 VanDerWaalsContact O-N 3.13Å | ||
| 17 | R | 52.4 | Low | 47.7 | Very low | 250 Ų | 250 | 122.7 Ų | 122.7 | 94% | 0.943 | 75% | 0.752 | S | S | * | * | trans | -79 | 75.5 | 157 | -165 | 176.8 | -165.4 | -175.2 | 3.7 | 107.2 | ||||
| 18 | G | 52.3 | Low | 48.7 | Very low | 46 Ų | 46 | 114.6 Ų | 114.6 | 47% | 0.474 | 74% | 0.741 | S | S | . | * | trans | -82.2 | 146.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | S16 S20 | S16-G18 PolarHBondContact O-N 2.96Å; S16-G18 VanDerWaalsContact O-N 3.13Å; G18-S20 PolarHBondContact O-N 2.93Å; G18-S20 VanDerWaalsContact O-N 3.07Å | ||
| 19 | P | 52.4 | Low | 49.8 | Very low | 138 Ų | 138 | 113.2 Ų | 113.2 | 90% | 0.896 | 73% | 0.728 | S | S | * | * | trans | -72.2 | 105.3 | -179.1 | 29.7 | -30.9 | 0 | 0 | 0 | 109.4 | ||||
| 20 | S | 45.1 | Very low | 51.4 | Low | 81 Ų | 81 | 113.3 Ų | 113.3 | 57% | 0.566 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 125.1 | 172.1 | 176.7 | 0 | 0 | 0 | 0 | 109.5 | G18 | G18-S20 PolarHBondContact O-N 2.93Å; G18-S20 VanDerWaalsContact O-N 3.07Å |
| 21 | A | 49.7 | Very low | 52.8 | Low | 67 Ų | 67 | 109.6 Ų | 109.6 | 55% | 0.554 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 145.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G23 | A21-G23 PolarHBondContact O-N 2.72Š|
| 22 | P | 44 | Very low | 54.7 | Low | 140 Ų | 140 | 112.3 Ų | 112.3 | 91% | 0.909 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 116.5 | 177.5 | 27.6 | -31.1 | 0 | 0 | 0 | 109.1 | ||
| 23 | G | 52.5 | Low | 56.4 | Low | 80 Ų | 80 | 108.6 Ų | 108.6 | 83% | 0.825 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 123.9 | 2 | 173 | 0 | 0 | 0 | 0 | 0 | 117.4 | A21 | A21-G23 PolarHBondContact O-N 2.72Š|
| 24 | S | 45.4 | Very low | 57.2 | Low | 69 Ų | 69 | 108.4 Ų | 108.4 | 48% | 0.483 | 68% | 0.677 | S | S | . | * | trans | -78.7 | 125.4 | 170.4 | -83 | 0 | 0 | 0 | 0 | 111.2 | A26 | S24-A26 PolarHBondContact O-N 3.02Š| ||
| 25 | P | 51.9 | Low | 58.8 | Low | 114 Ų | 114 | 108.9 Ų | 108.9 | 74% | 0.74 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -70.7 | 8.1 | 179.5 | 29.5 | -35 | 0 | 0 | 0 | 113.8 | T27 | P25-T27 VanDerWaalsContact C-N 3.27Å; P25-T27 PolarHBondContact O-N 3.04Å |
| 26 | A | 53.3 | Low | 59.9 | Low | 91 Ų | 91 | 110.2 Ų | 110.2 | 75% | 0.752 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -72.9 | -14.8 | -173 | 0 | 0 | 0 | 0 | 0 | 114.1 | S24 | S24-A26 PolarHBondContact O-N 3.02Š|
| 27 | T | 55.3 | Low | 61.3 | Low | 115 Ų | 115 | 110.9 Ų | 110.9 | 71% | 0.706 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -98.8 | -4.9 | -169.3 | -18.8 | 0 | 0 | 0 | 0 | 114.8 | P25 | P25-T27 VanDerWaalsContact C-N 3.27Å; P25-T27 PolarHBondContact O-N 3.04Å |
| 28 | G | 61.1 | Low | 62.7 | Low | 62 Ų | 62 | 100.3 Ų | 100.3 | 64% | 0.639 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -113 | -17.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 117 | M30 | G28-M30 PolarHBondContact O-N 3.06Š|
| 29 | I | 66.4 | Low | 64.1 | Low | 110 Ų | 110 | 99.2 Ų | 99.2 | 56% | 0.564 | 61% | 0.611 | S | S | * | * | trans | -90.6 | 94.2 | -171 | -50.5 | 178.1 | 0 | 0 | 0 | 109.1 | Y40 | I29-Y40 HydrophobicContact CG2-CD2 4.27Å; I29-Y40 WeakPolarHBondContact O-CB 3.4Å; I29-Y40 PolarHBondContact O-N 3.47Å | ||
| 30 | M | 75.1 | Confident | 65.2 | Low | 100 Ų | 100 | 99.7 Ų | 99.7 | 49% | 0.493 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.7 | 141.9 | 170.5 | -61.3 | -172.9 | -74.3 | 0 | 0 | 109.2 | G28 M37 V38 | G28-M30 PolarHBondContact O-N 3.06Å; M30-M37 HydrophobicContact CB-CG 3.67Å; M30-M37 HydrophobicContact CB-SD 4.31Å; M30-M37 HydrophobicContact CE-CE 3.36Å; M30-M37 HydrophobicContact CE-CG 4.14Å; M30-M37 HydrophobicContact CE-SD 3.54Å; M30-M37 VanDerWaalsContact CE-SD 3.54Å; M30-M37 HydrophobicContact CG-CG 4.32Å; M30-M37 HydrophobicContact SD-CE 3.72Å; M30-M37 HydrophobicContact SD-CG 3.79Å; M30-M37 HydrophobicContact SD-SD 4Å; M30-V38 CarbonylContact C-O 3.46Å; M30-V38 VanDerWaalsContact CA-O 3.3Å; M30-V38 WeakPolarHBondContact CA-O 3.27Å |
| 31 | A | 74.8 | Confident | 66.6 | Low | 41 Ų | 41 | 103.9 Ų | 103.9 | 34% | 0.339 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115 | 146.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | V38 L43 | A31-V38 PolarHBondContact N-O 2.76Å; A31-V38 PolarHBondContact O-N 2.77Å; A31-L43 HydrophobicContact CB-CD1 3.39Å; A31-L43 HydrophobicContact CB-CD2 4.26Å; A31-L43 HydrophobicContact CB-CG 4.44Å |
| 32 | R | 78 | Confident | 67.9 | Low | 190 Ų | 190 | 105.5 Ų | 105.5 | 72% | 0.717 | 60% | 0.603 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.8 | 118.3 | 175.9 | -170.6 | 177.3 | 175.7 | 171.3 | -0.7 | 108.6 | D35 Q36 | R32-D35 IonicContact CZ-OD1 3.43Å; R32-D35 IonicContact NE-OD1 3.36Å; R32-D35 PolarHBondContact NE-OD1 2.9Å; R32-D35 IonicContact NH2-OD1 2.73Å; R32-D35 PolarHBondContact NH2-OD1 2.92Å; R32-Q36 WeakPolarHBondContact CA-O 3.16Å |
| 33 | L | 77.4 | Confident | 69.4 | Low | 77 Ų | 77 | 101.2 Ų | 101.2 | 40% | 0.403 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.6 | 123 | 175.4 | -175.5 | 76.7 | 0 | 0 | 0 | 107.8 | D35 Q36 V38 L46 | L33-D35 VanDerWaalsContact C-N 3.34Å; L33-D35 PolarHBondContact O-N 3.11Å; L33-Q36 PolarHBondContact N-O 3.39Å; L33-Q36 PolarHBondContact O-N 2.7Å; L33-Q36 VanDerWaalsContact O-O 3.12Å; L33-V38 HydrophobicContact CB-CG2 4.34Å; L33-L46 HydrophobicContact CD2-CD1 3.51Å |
| 34 | N | 67.9 | Low | 70.2 | Confident | 153 Ų | 153 | 100.3 Ų | 100.3 | 82% | 0.818 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.2 | 50.8 | 178.9 | -59.1 | -17.7 | 0 | 0 | 0 | 113.7 | Q36 | N34-Q36 PolarHBondContact O-N 2.79Å; N34-Q36 VanDerWaalsContact O-N 3.1Å |
| 35 | D | 77.6 | Confident | 71.5 | Confident | 135 Ų | 135 | 100.9 Ų | 100.9 | 72% | 0.722 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.4 | 9.2 | -178.3 | -70.7 | -35.1 | 0 | 0 | 0 | 117.2 | R32 L33 | R32-D35 IonicContact CZ-OD1 3.43Å; R32-D35 IonicContact NE-OD1 3.36Å; R32-D35 PolarHBondContact NE-OD1 2.9Å; R32-D35 IonicContact NH2-OD1 2.73Å; R32-D35 PolarHBondContact NH2-OD1 2.92Å; L33-D35 VanDerWaalsContact C-N 3.34Å; L33-D35 PolarHBondContact O-N 3.11Å |
| 36 | Q | 76.3 | Confident | 72.3 | Confident | 142 Ų | 142 | 99 Ų | 99 | 66% | 0.664 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 143.4 | 172.4 | -163.1 | 162.5 | 70.3 | 0 | 0 | 111.4 | R32 L33 N34 | R32-Q36 WeakPolarHBondContact CA-O 3.16Å; L33-Q36 PolarHBondContact N-O 3.39Å; L33-Q36 PolarHBondContact O-N 2.7Å; L33-Q36 VanDerWaalsContact O-O 3.12Å; N34-Q36 PolarHBondContact O-N 2.79Å; N34-Q36 VanDerWaalsContact O-N 3.1Å |
| 37 | M | 78.8 | Confident | 73.2 | Confident | 128 Ų | 128 | 99.7 Ų | 99.7 | 63% | 0.631 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 116.9 | -179.4 | -164.4 | 162.7 | 63.2 | 0 | 0 | 109.2 | M30 | M30-M37 HydrophobicContact CB-CG 3.67Å; M30-M37 HydrophobicContact CB-SD 4.31Å; M30-M37 HydrophobicContact CE-CE 3.36Å; M30-M37 HydrophobicContact CE-CG 4.14Å; M30-M37 HydrophobicContact CE-SD 3.54Å; M30-M37 VanDerWaalsContact CE-SD 3.54Å; M30-M37 HydrophobicContact CG-CG 4.32Å; M30-M37 HydrophobicContact SD-CE 3.72Å; M30-M37 HydrophobicContact SD-CG 3.79Å; M30-M37 HydrophobicContact SD-SD 4Å |
| 38 | V | 80.4 | Confident | 73.7 | Confident | 27 Ų | 27 | 104.2 Ų | 104.2 | 16% | 0.164 | 55% | 0.55 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.4 | 132.6 | -172.6 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | M30 A31 L33 D42 L43 | M30-V38 CarbonylContact C-O 3.46Å; M30-V38 VanDerWaalsContact CA-O 3.3Å; M30-V38 WeakPolarHBondContact CA-O 3.27Å; A31-V38 PolarHBondContact N-O 2.76Å; A31-V38 PolarHBondContact O-N 2.77Å; L33-V38 HydrophobicContact CB-CG2 4.34Å; V38-D42 HydrophobicContact CG1-CB 3.75Å; V38-L43 HydrophobicContact CB-CD2 3.9Å; V38-L43 HydrophobicContact CB-CG 4.3Å; V38-L43 HydrophobicContact CG1-CD2 3.79Å; V38-L43 HydrophobicContact CG1-CG 3.96Å |
| 39 | G | 82.6 | Confident | 73.7 | Confident | 24 Ų | 24 | 108.1 Ų | 108.1 | 25% | 0.247 | 56% | 0.556 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -72 | 151.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | K41 D42 L43 | G39-K41 PolarHBondContact O-N 2.73Å; G39-K41 VanDerWaalsContact O-N 3.11Å; G39-D42 PolarHBondContact O-N 3.31Å; G39-L43 WeakPolarHBondContact O-CG 3.27Å; G39-L43 PolarHBondContact O-N 2.92Å |
| 40 | Y | 76.3 | Confident | 73.3 | Confident | 148 Ų | 148 | 111.7 Ų | 111.7 | 58% | 0.58 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -52.6 | -34.5 | -179.3 | 179.5 | -98.8 | 0 | 0 | 0 | 114.7 | I29 D42 A44 | I29-Y40 HydrophobicContact CG2-CD2 4.27Å; I29-Y40 WeakPolarHBondContact O-CB 3.4Å; I29-Y40 PolarHBondContact O-N 3.47Å; Y40-D42 VanDerWaalsContact C-N 3.33Å; Y40-A44 PolarHBondContact O-N 3.24Å |
| 41 | K | 74.4 | Confident | 72.4 | Confident | 169 Ų | 169 | 110.6 Ų | 110.6 | 74% | 0.735 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.4 | -39.2 | 177.2 | -68.5 | -66.7 | -177.4 | 179.8 | 0 | 112.2 | G39 | G39-K41 PolarHBondContact O-N 2.73Å; G39-K41 VanDerWaalsContact O-N 3.11Å |
| 42 | D | 76.6 | Confident | 71.5 | Confident | 101 Ų | 101 | 115.9 Ų | 115.9 | 54% | 0.54 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -82 | -33.3 | -176.5 | -56.2 | -31.7 | 0 | 0 | 0 | 111 | V38 G39 Y40 A44 A45 L46 | V38-D42 HydrophobicContact CG1-CB 3.75Å; G39-D42 PolarHBondContact O-N 3.31Å; Y40-D42 VanDerWaalsContact C-N 3.33Å; D42-A44 PolarHBondContact O-N 3.2Å; D42-A45 PolarHBondContact O-N 2.88Å; D42-L46 PolarHBondContact O-N 3.26Å |
| 43 | L | 74.5 | Confident | 70.3 | Confident | 50 Ų | 50 | 113.1 Ų | 113.1 | 26% | 0.262 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -56.9 | -37 | 170.8 | -68.2 | 174.2 | 0 | 0 | 0 | 112.6 | A31 V38 G39 A45 L46 | A31-L43 HydrophobicContact CB-CD1 3.39Å; A31-L43 HydrophobicContact CB-CD2 4.26Å; A31-L43 HydrophobicContact CB-CG 4.44Å; V38-L43 HydrophobicContact CB-CD2 3.9Å; V38-L43 HydrophobicContact CB-CG 4.3Å; V38-L43 HydrophobicContact CG1-CD2 3.79Å; V38-L43 HydrophobicContact CG1-CG 3.96Å; G39-L43 WeakPolarHBondContact O-CG 3.27Å; G39-L43 PolarHBondContact O-N 2.92Å; L43-A45 PolarHBondContact O-N 3.25Å; L43-L46 HydrophobicContact CD2-CD1 4.15Å |
| 44 | A | 69.8 | Low | 69.3 | Low | 61 Ų | 61 | 118.6 Ų | 118.6 | 50% | 0.504 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.9 | -19.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y40 D42 | Y40-A44 PolarHBondContact O-N 3.24Å; D42-A44 PolarHBondContact O-N 3.2Å |
| 45 | A | 73 | Confident | 68.9 | Low | 80 Ų | 80 | 116.3 Ų | 116.3 | 66% | 0.661 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -11.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D42 L43 | D42-A45 PolarHBondContact O-N 2.88Å; L43-A45 PolarHBondContact O-N 3.25Å |
| 46 | L | 69.5 | Low | 68.2 | Low | 75 Ų | 75 | 118.3 Ų | 118.3 | 39% | 0.393 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -60.2 | 136.1 | 173.4 | -66.2 | 176.8 | 0 | 0 | 0 | 109.7 | L33 D42 L43 R48 | L33-L46 HydrophobicContact CD2-CD1 3.51Å; D42-L46 PolarHBondContact O-N 3.26Å; L43-L46 HydrophobicContact CD2-CD1 4.15Å; L46-R48 PolarHBondContact O-N 2.89Å |
| 47 | P | 71.8 | Confident | 67.8 | Low | 105 Ų | 105 | 122.1 Ų | 122.1 | 68% | 0.682 | 62% | 0.623 | S | S | * | * | trans | -52.4 | 113.5 | 171.1 | -23.6 | 33.2 | 0 | 0 | 0 | 108.4 | D49 | P47-D49 PolarHBondContact O-N 3.18Š| ||
| 48 | R | 64.6 | Low | 67 | Low | 211 Ų | 211 | 121.4 Ų | 121.4 | 80% | 0.796 | 63% | 0.627 | S | S | * | * | trans | -72.7 | 82.6 | 164.9 | -66.3 | -177.7 | -172.2 | 155.1 | 2.7 | 104.7 | L46 K50 | L46-R48 PolarHBondContact O-N 2.89Å; R48-K50 PolarHBondContact O-N 3.07Å | ||
| 49 | D | 62 | Low | 66.3 | Low | 143 Ų | 143 | 127.6 Ų | 127.6 | 77% | 0.765 | 66% | 0.66 | S | S | * | * | trans | -55.2 | 99.1 | 165.7 | -75.3 | -12.6 | 0 | 0 | 0 | 105.1 | P47 A51 | P47-D49 PolarHBondContact O-N 3.18Å; D49-A51 PolarHBondContact O-N 3.09Å | ||
| 50 | K | 57.1 | Low | 65.5 | Low | 185 Ų | 185 | 133.7 Ų | 133.7 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | trans | -66.8 | 85.6 | 160.4 | -66.3 | -173.9 | -178.3 | -177 | 0 | 102.4 | R48 I52 | R48-K50 PolarHBondContact O-N 3.07Å; K50-I52 PolarHBondContact O-N 3.19Å | ||
| 51 | A | 57.4 | Low | 64.6 | Low | 77 Ų | 77 | 132.7 Ų | 132.7 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | trans | -52.5 | 99 | 154.4 | 0 | 0 | 0 | 0 | 0 | 103.7 | D49 L53 | D49-A51 PolarHBondContact O-N 3.09Å; A51-L53 PolarHBondContact O-N 3.16Å | ||
| 52 | I | 56 | Low | 63.6 | Low | 152 Ų | 152 | 130.6 Ų | 130.6 | 78% | 0.779 | 69% | 0.689 | S | S | * | * | trans | -65.3 | 89.6 | 160.9 | -50.6 | 170.2 | 0 | 0 | 0 | 100.4 | K50 Q54 | K50-I52 PolarHBondContact O-N 3.19Å; I52-Q54 VanDerWaalsContact C-N 3.34Å; I52-Q54 PolarHBondContact O-N 3.49Å | ||
| 53 | L | 51.7 | Low | 62.3 | Low | 132 Ų | 132 | 135 Ų | 135 | 69% | 0.691 | 70% | 0.7 | S | S | * | * | trans | -48.4 | 117.6 | 160.8 | -85.8 | 107.4 | 0 | 0 | 0 | 103.2 | A51 V55 | A51-L53 PolarHBondContact O-N 3.16Å; L53-V55 HydrophobicContact CB-CG2 3.6Å; L53-V55 PolarHBondContact O-N 2.86Å | ||
| 54 | Q | 57.8 | Low | 61.5 | Low | 193 Ų | 193 | 139.5 Ų | 139.5 | 90% | 0.902 | 72% | 0.719 | S | S | * | * | trans | -60.8 | 79.2 | 152.7 | -79.6 | -176.7 | -9.5 | 0 | 0 | 104.1 | I52 E56 | I52-Q54 VanDerWaalsContact C-N 3.34Å; I52-Q54 PolarHBondContact O-N 3.49Å; Q54-E56 PolarHBondContact O-N 3.38Å | ||
| 55 | V | 58.5 | Low | 60.8 | Low | 105 Ų | 105 | 141.6 Ų | 141.6 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | trans | -68.6 | 95.6 | 162.8 | -169.3 | 0 | 0 | 0 | 0 | 101.2 | L53 R57 | L53-V55 HydrophobicContact CB-CG2 3.6Å; L53-V55 PolarHBondContact O-N 2.86Å; V55-R57 PolarHBondContact O-N 3.26Å | ||
| 56 | E | 64.2 | Low | 59.8 | Low | 177 Ų | 177 | 145.7 Ų | 145.7 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | trans | -39.3 | 112.6 | 157.6 | -177.1 | 175.1 | -173.5 | 0 | 0 | 105.1 | Q54 P58 | Q54-E56 PolarHBondContact O-N 3.38Å; E56-P58 WeakPolarHBondContact O-CD 3.45Å | ||
| 57 | R | 65.9 | Low | 59 | Low | 222 Ų | 222 | 148.5 Ų | 148.5 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 121.2 | 179.6 | -75.6 | -179.5 | 175.4 | 171.2 | -1 | 104.4 | V55 D59 | V55-R57 PolarHBondContact O-N 3.26Å; R57-D59 PolarHBondContact O-N 3.42Å |
| 58 | P | 63.9 | Low | 57.9 | Low | 113 Ų | 113 | 149 Ų | 149 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -55 | 119.8 | 172.3 | 23.1 | -30.9 | 0 | 0 | 0 | 104.8 | E56 L60 | E56-P58 WeakPolarHBondContact O-CD 3.45Å; P58-L60 PolarHBondContact O-N 2.86Å |
| 59 | D | 65 | Low | 57.2 | Low | 157 Ų | 157 | 146.9 Ų | 146.9 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -49 | 130.6 | -175.5 | -140.2 | 0.6 | 0 | 0 | 0 | 106.7 | R57 M61 | R57-D59 PolarHBondContact O-N 3.42Å; D59-M61 VanDerWaalsContact C-N 3.3Å; D59-M61 PolarHBondContact O-N 3.25Å |
| 60 | L | 65 | Low | 56.4 | Low | 152 Ų | 152 | 143.2 Ų | 143.2 | 80% | 0.796 | 74% | 0.736 | S | S | * | * | trans | -59.1 | 101.4 | -174.9 | 177.7 | 69 | 0 | 0 | 0 | 106.4 | P58 T62 | P58-L60 PolarHBondContact O-N 2.86Å; L60-T62 VanDerWaalsContact C-N 3.29Å; L60-T62 PolarHBondContact O-N 3.41Å | ||
| 61 | M | 57.9 | Low | 56.3 | Low | 126 Ų | 126 | 140.7 Ų | 140.7 | 62% | 0.621 | 74% | 0.739 | S | S | * | * | trans | -62.6 | 100.1 | -178.6 | -149.5 | -177.8 | 75.6 | 0 | 0 | 105.5 | D59 Y63 | D59-M61 VanDerWaalsContact C-N 3.3Å; D59-M61 PolarHBondContact O-N 3.25Å; M61-Y63 VanDerWaalsContact C-N 3.27Å; M61-Y63 HydrophobicContact CE-CD1 4.24Å; M61-Y63 HydrophobicContact CE-CD2 4.44Å; M61-Y63 HydrophobicContact CE-CE1 3.65Å; M61-Y63 HydrophobicContact CE-CE2 3.88Å; M61-Y63 VanDerWaalsContact CE-CZ 3.44Å; M61-Y63 WeakPolarHBondContact O-CD2 3.21Å; M61-Y63 PolarHBondContact O-N 3.21Å | ||
| 62 | T | 53.3 | Low | 55.9 | Low | 125 Ų | 125 | 144.4 Ų | 144.4 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | trans | -64.3 | 98.3 | 175.7 | 39.8 | 0 | 0 | 0 | 0 | 105.6 | L60 Q64 | L60-T62 VanDerWaalsContact C-N 3.29Å; L60-T62 PolarHBondContact O-N 3.41Å; T62-Q64 PolarHBondContact O-N 2.97Å | ||
| 63 | Y | 48.9 | Very low | 55.6 | Low | 195 Ų | 195 | 143.2 Ų | 143.2 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | trans | -60.9 | 96.3 | 167.3 | -77.9 | -88.3 | 0 | 0 | 0 | 106.4 | M61 P65 | M61-Y63 VanDerWaalsContact C-N 3.27Å; M61-Y63 HydrophobicContact CE-CD1 4.24Å; M61-Y63 HydrophobicContact CE-CD2 4.44Å; M61-Y63 HydrophobicContact CE-CE1 3.65Å; M61-Y63 HydrophobicContact CE-CE2 3.88Å; M61-Y63 VanDerWaalsContact CE-CZ 3.44Å; M61-Y63 WeakPolarHBondContact O-CD2 3.21Å; M61-Y63 PolarHBondContact O-N 3.21Å; Y63-P65 VanDerWaalsContact O-CD 3.23Å; Y63-P65 WeakPolarHBondContact O-CD 3.47Å | ||
| 64 | Q | 58 | Low | 55.6 | Low | 143 Ų | 143 | 141.8 Ų | 141.8 | 67% | 0.668 | 74% | 0.741 | S | S | * | * | trans | -61.7 | 116.5 | 162.8 | -174.4 | 172.7 | -19.8 | 0 | 0 | 105.3 | T62 H66 | T62-Q64 PolarHBondContact O-N 2.97Å; Q64-H66 PolarHBondContact O-N 3.16Å | ||
| 65 | P | 54.3 | Low | 55 | Low | 106 Ų | 106 | 138.6 Ų | 138.6 | 69% | 0.688 | 74% | 0.737 | S | S | * | * | trans | -65.5 | 105.5 | 175.1 | 25.7 | -29.2 | 0 | 0 | 0 | 106.6 | Y63 L67 | Y63-P65 VanDerWaalsContact O-CD 3.23Å; Y63-P65 WeakPolarHBondContact O-CD 3.47Å; P65-L67 PolarHBondContact O-N 3.32Å | ||
| 66 | H | 52 | Low | 54.5 | Low | 165 Ų | 165 | 144.4 Ų | 144.4 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | trans | -69.4 | 21.7 | 174 | -64.6 | -59.1 | 0 | 0 | 0 | 113 | Q64 | Q64-H66 PolarHBondContact O-N 3.16Š| ||
| 67 | L | 53.7 | Low | 54 | Low | 135 Ų | 135 | 147.9 Ų | 147.9 | 71% | 0.707 | 75% | 0.753 | S | S | * | * | trans | -104.9 | 72.9 | 174.4 | -66.5 | 164.4 | 0 | 0 | 0 | 108.1 | P65 F69 | P65-L67 PolarHBondContact O-N 3.32Å; L67-F69 HydrophobicContact CB-CD2 4.24Å; L67-F69 HydrophobicContact CD2-CE2 4.23Å; L67-F69 PolarHBondContact O-N 3.02Å | ||
| 68 | S | 47.7 | Very low | 53 | Low | 115 Ų | 115 | 145.5 Ų | 145.5 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -68.2 | 84.5 | 159.3 | 49.6 | 0 | 0 | 0 | 0 | 108.1 | S70 | S68-S70 VanDerWaalsContact C-N 3.33Å; S68-S70 PolarHBondContact O-N 2.94Å | ||
| 69 | F | 50.3 | Low | 52.5 | Low | 166 Ų | 166 | 150.5 Ų | 150.5 | 73% | 0.728 | 76% | 0.755 | S | S | * | * | trans | -72 | 94.9 | 165.6 | -96.1 | -84.4 | 0 | 0 | 0 | 108.1 | L67 | L67-F69 HydrophobicContact CB-CD2 4.24Å; L67-F69 HydrophobicContact CD2-CE2 4.23Å; L67-F69 PolarHBondContact O-N 3.02Å | ||
| 70 | S | 46.6 | Very low | 51.6 | Low | 66 Ų | 66 | 148.1 Ų | 148.1 | 46% | 0.462 | 75% | 0.751 | S | S | . | * | trans | -66.1 | 128.6 | 164.5 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | S68 L72 D73 | S68-S70 VanDerWaalsContact C-N 3.33Å; S68-S70 PolarHBondContact O-N 2.94Å; S70-L72 PolarHBondContact O-N 2.8Å; S70-D73 PolarHBondContact O-N 3.07Å | ||
| 71 | P | 53.6 | Low | 50.8 | Low | 132 Ų | 132 | 148 Ų | 148 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 2.9 | -178.5 | -20.6 | 32 | 0 | 0 | 0 | 115.4 | ||
| 72 | L | 50.3 | Low | 50.1 | Low | 156 Ų | 156 | 146.9 Ų | 146.9 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | -1.3 | -176.3 | -67 | 173.9 | 0 | 0 | 0 | 114 | S70 | S70-L72 PolarHBondContact O-N 2.8Š|
| 73 | D | 49.2 | Very low | 50.2 | Low | 127 Ų | 127 | 146.5 Ų | 146.5 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -93.3 | 122.1 | 179.9 | -119.4 | -16.7 | 0 | 0 | 0 | 111.2 | S70 | S70-D73 PolarHBondContact O-N 3.07Š|
| 74 | P | 50.8 | Low | 50.1 | Low | 101 Ų | 101 | 142.8 Ų | 142.8 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | trans | -67.4 | 144.5 | 177.1 | 26.7 | -31.8 | 0 | 0 | 0 | 110.6 | R76 | P74-R76 PolarHBondContact O-N 3.38Š| ||
| 75 | P | 46.3 | Very low | 49.3 | Very low | 127 Ų | 127 | 141 Ų | 141 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | -65.4 | 105.1 | -174.3 | 25.7 | -32.9 | 0 | 0 | 0 | 110.5 | R77 | P75-R77 PolarHBondContact O-N 3.3Š| ||
| 76 | R | 46.8 | Very low | 48.7 | Very low | 226 Ų | 226 | 144.6 Ų | 144.6 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -68.8 | 114.6 | 170.4 | -154.9 | -178.9 | -74.7 | -108 | 4.3 | 107.5 | P74 E78 | P74-R76 PolarHBondContact O-N 3.38Å; R76-E78 VanDerWaalsContact C-N 3.33Å; R76-E78 PolarHBondContact O-N 2.76Å | ||
| 77 | R | 55.1 | Low | 48.3 | Very low | 251 Ų | 251 | 141.8 Ų | 141.8 | 95% | 0.947 | 77% | 0.771 | S | S | * | * | trans | -74.5 | 80.4 | -174.5 | -154.9 | -174.2 | -160.8 | 177.9 | 5 | 109.6 | P75 | P75-R77 PolarHBondContact O-N 3.3Š| ||
| 78 | E | 44.8 | Very low | 48.2 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | trans | -102.8 | 121.6 | 170.3 | -78.7 | -87.6 | 152.9 | 0 | 0 | 109.1 | R76 S80 | R76-E78 VanDerWaalsContact C-N 3.33Å; R76-E78 PolarHBondContact O-N 2.76Å; E78-S80 PolarHBondContact O-N 3.31Å | ||
| 79 | R | 51.9 | Low | 47.9 | Very low | 218 Ų | 218 | 141.6 Ų | 141.6 | 82% | 0.823 | 78% | 0.778 | S | S | * | * | trans | -80.5 | 96.6 | -170.6 | -175.8 | 163.1 | -167.4 | 144 | 3.1 | 109.9 | M81 | R79-M81 HydrophobicContact CG-CG 4.26Å; R79-M81 HydrophobicContact CG-SD 4.38Å | ||
| 80 | S | 46.3 | Very low | 47.4 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -85.5 | 123.6 | 169.2 | -170.3 | 0 | 0 | 0 | 0 | 110.8 | E78 | E78-S80 PolarHBondContact O-N 3.31Š| ||
| 81 | M | 49.5 | Very low | 46.9 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -104.6 | 43.7 | -174.5 | -72.3 | -74.6 | -70.9 | 0 | 0 | 112.3 | R79 | R79-M81 HydrophobicContact CG-CG 4.26Å; R79-M81 HydrophobicContact CG-SD 4.38Å | ||
| 82 | S | 42.7 | Very low | 46.5 | Very low | 101 Ų | 101 | 144.8 Ų | 144.8 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -122.6 | 121.6 | 178.8 | -54 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 83 | P | 54.8 | Low | 45.9 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -71.6 | 149.9 | 172.7 | 28.6 | -30.7 | 0 | 0 | 0 | 110.8 | ||||
| 84 | P | 48.3 | Very low | 45.6 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -65.8 | 139.6 | 176.3 | 27.3 | -32.9 | 0 | 0 | 0 | 111 | M86 | P84-M86 PolarHBondContact O-N 2.71Å; P84-M86 VanDerWaalsContact O-N 3.13Å | ||
| 85 | A | 40.9 | Very low | 45 | Very low | 107 Ų | 107 | 148.9 Ų | 148.9 | 88% | 0.884 | 80% | 0.798 | S | S | * | * | trans | -65.6 | 109.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 86 | M | 42.1 | Very low | 44.5 | Very low | 181 Ų | 181 | 146 Ų | 146 | 89% | 0.892 | 79% | 0.792 | S | S | * | * | trans | -88 | 102.7 | 167.4 | -71.4 | 174.6 | 64.6 | 0 | 0 | 108.8 | P84 | P84-M86 PolarHBondContact O-N 2.71Å; P84-M86 VanDerWaalsContact O-N 3.13Å | ||
| 87 | S | 43.8 | Very low | 43.8 | Very low | 106 Ų | 106 | 147.1 Ų | 147.1 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 135.8 | 165.1 | 50.6 | 0 | 0 | 0 | 0 | 110.3 | S89 | S87-S89 PolarHBondContact O-N 2.91Š|
| 88 | P | 49.8 | Very low | 42.7 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 131.8 | 176.2 | 27 | -31 | 0 | 0 | 0 | 111 | ||
| 89 | S | 41.6 | Very low | 42.2 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 131.2 | 172.7 | 55.1 | 0 | 0 | 0 | 0 | 111.2 | S87 S91 | S87-S89 PolarHBondContact O-N 2.91Å; S89-S91 PolarHBondContact O-N 3.24Å |
| 90 | R | 40.9 | Very low | 41.2 | Very low | 205 Ų | 205 | 141.7 Ų | 141.7 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | trans | -37.7 | 124.6 | 172.7 | -155.1 | 170.5 | -178 | -80.3 | -8.6 | 113 | E93 | R90-E93 IonicContact CZ-OE2 3.08Å; R90-E93 IonicContact NH1-OE2 4Å; R90-E93 PolarHBondContact NH1-OE2 3.04Å; R90-E93 IonicContact NH2-OE2 2.73Å; R90-E93 PolarHBondContact NH2-OE2 3.15Å | ||
| 91 | S | 35.6 | Very low | 40.5 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 67% | 0.671 | 80% | 0.798 | S | S | * | * | trans | -54 | 149.6 | 171.6 | -58.7 | 0 | 0 | 0 | 0 | 112.5 | S89 E93 | S89-S91 PolarHBondContact O-N 3.24Å; S91-E93 PolarHBondContact O-N 3.01Å; S91-E93 VanDerWaalsContact O-N 3.12Å | ||
| 92 | P | 44.3 | Very low | 39.9 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -75.5 | 104.5 | 174.5 | 30.5 | -30.4 | 0 | 0 | 0 | 109.6 | V94 | P92-V94 PolarHBondContact O-N 3.16Š| ||
| 93 | E | 38 | Very low | 39.6 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 61% | 0.612 | 81% | 0.808 | S | S | * | * | trans | -62.6 | 121.9 | 159.4 | -71.4 | 172.9 | 102.6 | 0 | 0 | 108.7 | R90 S91 K95 | R90-E93 IonicContact CZ-OE2 3.08Å; R90-E93 IonicContact NH1-OE2 4Å; R90-E93 PolarHBondContact NH1-OE2 3.04Å; R90-E93 IonicContact NH2-OE2 2.73Å; R90-E93 PolarHBondContact NH2-OE2 3.15Å; S91-E93 PolarHBondContact O-N 3.01Å; S91-E93 VanDerWaalsContact O-N 3.12Å; E93-K95 PolarHBondContact O-N 2.71Å | ||
| 94 | V | 44.1 | Very low | 38.4 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | trans | -59.5 | 101.4 | 159.6 | 161.9 | 0 | 0 | 0 | 0 | 107.4 | P92 | P92-V94 PolarHBondContact O-N 3.16Š| ||
| 95 | K | 37.3 | Very low | 37.6 | Very low | 192 Ų | 192 | 141.6 Ų | 141.6 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -95.7 | 111.7 | 163.8 | -117.2 | 174.7 | -179.5 | 176.8 | 0 | 107.9 | E93 R97 | E93-K95 PolarHBondContact O-N 2.71Å; K95-R97 PolarHBondContact O-N 3.11Å | ||
| 96 | G | 35.4 | Very low | 37.7 | Very low | 67 Ų | 67 | 142.5 Ų | 142.5 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | trans | -54.9 | 132.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R98 | G96-R98 PolarHBondContact O-N 2.99Å; G96-R98 VanDerWaalsContact O-N 3.11Å | ||
| 97 | R | 33 | Very low | 37.2 | Very low | 249 Ų | 249 | 137.8 Ų | 137.8 | 94% | 0.94 | 81% | 0.811 | S | S | * | * | trans | -61.2 | 109.6 | 169.3 | -68.8 | 180 | 175 | -90.9 | 1.5 | 108.3 | K95 | K95-R97 PolarHBondContact O-N 3.11Š| ||
| 98 | R | 32.3 | Very low | 36.5 | Very low | 242 Ų | 242 | 136.5 Ų | 136.5 | 91% | 0.913 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 118.7 | 146.1 | -83.5 | -165.3 | -168.8 | -110 | 4.1 | 105.9 | G96 | G96-R98 PolarHBondContact O-N 2.99Å; G96-R98 VanDerWaalsContact O-N 3.11Å |
| 99 | A | 33.8 | Very low | 35.7 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 126.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 100 | E | 31.3 | Very low | 35.4 | Very low | 197 Ų | 197 | 136.3 Ų | 136.3 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 126.6 | 152.5 | -86.4 | 168.1 | 111.8 | 0 | 0 | 107.5 | ||
| 101 | S | 32 | Very low | 35.6 | Very low | 116 Ų | 116 | 134 Ų | 134 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -122.2 | 120.3 | 154.4 | -67 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 102 | D | 35.2 | Very low | 35.7 | Very low | 156 Ų | 156 | 138.6 Ų | 138.6 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | trans | -75 | 153.1 | -178.6 | -151.1 | -9.5 | 0 | 0 | 0 | 110.4 | ||||
| 103 | S | 37 | Very low | 35.7 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | 72.7 | 123.7 | 165.6 | 75.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 104 | G | 29.6 | Very low | 35.7 | Very low | 84 Ų | 84 | 142.9 Ų | 142.9 | 87% | 0.866 | 84% | 0.837 | S | S | * | * | trans | 128.9 | 90.9 | 148.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 105 | S | 32.8 | Very low | 35.2 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -99.7 | 136.8 | 152.3 | -144.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 106 | P | 42.8 | Very low | 35.5 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | -140.7 | 171.6 | 80 | 32.5 | -12.5 | 0 | 0 | 0 | 113.8 | |||||
| 107 | G | 30.4 | Very low | 35.7 | Very low | 82 Ų | 82 | 143.4 Ų | 143.4 | 85% | 0.845 | 84% | 0.841 | S | S | * | * | trans | -75.7 | -179.3 | -166.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 108 | G | 29.3 | Very low | 36.5 | Very low | 79 Ų | 79 | 141.5 Ų | 141.5 | 81% | 0.814 | 84% | 0.84 | S | S | * | * | trans | 139.9 | 112.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 109 | S | 34.1 | Very low | 37 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 81% | 0.811 | 84% | 0.836 | S | S | * | * | trans | -35.8 | 140.3 | 167 | -173.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 110 | T | 33.6 | Very low | 37.2 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | 157.1 | 150.8 | 111.3 | -152.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 111 | L | 46.6 | Very low | 38.4 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 81% | 0.812 | 83% | 0.831 | S | S | * | * | trans | -61.4 | 143.3 | 178.5 | -60.9 | 161.7 | 0 | 0 | 0 | 112.1 | ||||
| 112 | Q | 37.6 | Very low | 38.8 | Very low | 193 Ų | 193 | 134.6 Ų | 134.6 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | trans | -166.1 | 132.8 | 139.7 | -112 | 178.4 | 81.7 | 0 | 0 | 114.7 | ||||
| 113 | L | 43.2 | Very low | 39.4 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -75.5 | 141.8 | 167.3 | -66.7 | 153.6 | 0 | 0 | 0 | 109.5 | ||||
| 114 | Q | 38 | Very low | 40.1 | Very low | 190 Ų | 190 | 136.3 Ų | 136.3 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | 165.1 | 138.9 | 124.1 | -91.7 | 176.1 | 8.7 | 0 | 0 | 114.8 | |||||
| 115 | A | 34.6 | Very low | 41.3 | Very low | 93 Ų | 93 | 139.2 Ų | 139.2 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | 67.7 | 93.4 | 138.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 116 | G | 42.4 | Very low | 41.9 | Very low | 78 Ų | 78 | 142.6 Ų | 142.6 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | 60.2 | 101.5 | 108.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 117 | R | 39.1 | Very low | 42.3 | Very low | 245 Ų | 245 | 145.9 Ų | 145.9 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | trans | -140.3 | 145.1 | 147.7 | -62.8 | -174.9 | 82.2 | -177.7 | 3.2 | 110.4 | ||||
| 118 | K | 49.9 | Very low | 43.4 | Very low | 210 Ų | 210 | 152.7 Ų | 152.7 | 91% | 0.913 | 81% | 0.814 | S | S | * | * | trans | -96 | 135.6 | -159.3 | -36.9 | -169.8 | -175.1 | -172.4 | 0 | 109.8 | ||||
| 119 | I | 42.8 | Very low | 44.7 | Very low | 162 Ų | 162 | 154.4 Ų | 154.4 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | trans | -133.6 | 96.1 | 174.3 | -30.9 | 166.3 | 0 | 0 | 0 | 105.5 | ||||
| 120 | S | 39.2 | Very low | 45.5 | Very low | 100 Ų | 100 | 156.7 Ų | 156.7 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | 63.4 | 94.8 | 98.6 | -152.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 121 | T | 55.3 | Low | 46.7 | Very low | 138 Ų | 138 | 157.2 Ų | 157.2 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | trans | 29.4 | 92.9 | 142.3 | 60.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 122 | S | 42.1 | Very low | 47.3 | Very low | 97 Ų | 97 | 154.4 Ų | 154.4 | 68% | 0.678 | 82% | 0.82 | S | S | * | * | trans | -108.9 | 132.1 | 153.6 | 79.1 | 0 | 0 | 0 | 0 | 110.5 | Q124 | S122-Q124 PolarHBondContact O-N 2.9Š| ||
| 123 | L | 46.9 | Very low | 48.5 | Very low | 147 Ų | 147 | 148.1 Ų | 148.1 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -36.8 | 116.2 | 173 | -130.4 | 60.2 | 0 | 0 | 0 | 112.3 | H125 | L123-H125 VanDerWaalsContact CD2-NE2 3.32Å; L123-H125 WeakPolarHBondContact CD2-NE2 3.34Å | ||
| 124 | Q | 52.7 | Low | 49.4 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -87.6 | 104 | 179.5 | -66 | -89.3 | -33.8 | 0 | 0 | 109.1 | S122 | S122-Q124 PolarHBondContact O-N 2.9Š| ||
| 125 | H | 54 | Low | 50.5 | Low | 145 Ų | 145 | 142.4 Ų | 142.4 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | trans | -107.3 | 22.6 | 178.5 | -78.6 | -59.7 | 0 | 0 | 0 | 114.6 | L123 | L123-H125 VanDerWaalsContact CD2-NE2 3.32Å; L123-H125 WeakPolarHBondContact CD2-NE2 3.34Å | ||
| 126 | F | 44.5 | Very low | 51.8 | Low | 187 Ų | 187 | 148.4 Ų | 148.4 | 82% | 0.82 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -135.7 | 129.5 | 175 | -71.2 | -81.2 | 0 | 0 | 0 | 112.1 | R128 | F126-R128 PolarHBondContact O-N 2.91Š|
| 127 | H | 52 | Low | 52.7 | Low | 196 Ų | 196 | 155.2 Ų | 155.2 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | trans | -53.5 | 117.5 | 166.4 | -89.8 | -91.1 | 0 | 0 | 0 | 109.5 | P129 | H127-P129 WeakPolarHBondContact O-CD 3.47Š| ||
| 128 | R | 54 | Low | 54.2 | Low | 225 Ų | 225 | 149.8 Ų | 149.8 | 85% | 0.849 | 76% | 0.761 | S | S | * | * | trans | -88.3 | 111.9 | 167.5 | -144.3 | -179.8 | -168 | -164.9 | 3.3 | 106.5 | F126 D130 | F126-R128 PolarHBondContact O-N 2.91Å; R128-D130 PolarHBondContact O-N 3.49Å | ||
| 129 | P | 55.3 | Low | 54.8 | Low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | trans | -68.5 | 117.9 | 172.4 | 25.3 | -28.7 | 0 | 0 | 0 | 108.1 | H127 N131 | H127-P129 WeakPolarHBondContact O-CD 3.47Å; P129-N131 PolarHBondContact O-N 2.91Å | ||
| 130 | D | 50.8 | Low | 55.8 | Low | 165 Ų | 165 | 140 Ų | 140 | 88% | 0.882 | 73% | 0.73 | S | S | * | * | trans | -78.8 | 64.6 | -178.3 | -143.5 | 15.4 | 0 | 0 | 0 | 109.7 | R128 | R128-D130 PolarHBondContact O-N 3.49Š| ||
| 131 | N | 58.8 | Low | 56.9 | Low | 137 Ų | 137 | 142.5 Ų | 142.5 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | trans | -132.3 | 99 | 169.8 | -110.9 | 93.8 | 0 | 0 | 0 | 107.8 | P129 S133 | P129-N131 PolarHBondContact O-N 2.91Å; N131-S133 PolarHBondContact O-N 3.24Å | ||
| 132 | G | 60.8 | Low | 57 | Low | 95 Ų | 95 | 144.5 Ų | 144.5 | 98% | 0.979 | 73% | 0.727 | S | S | * | * | trans | -61.7 | 34.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 133 | S | 61.5 | Low | 57.7 | Low | 61 Ų | 61 | 145.8 Ų | 145.8 | 43% | 0.427 | 72% | 0.72 | S | S | . | * | trans | -97 | 98.6 | 170.2 | 57.8 | 0 | 0 | 0 | 0 | 110 | N131 I135 | N131-S133 PolarHBondContact O-N 3.24Å; S133-I135 PolarHBondContact O-N 3.39Å; S133-I135 VanDerWaalsContact O-N 3.12Å | ||
| 134 | N | 62 | Low | 58.1 | Low | 99 Ų | 99 | 146.2 Ų | 146.2 | 53% | 0.529 | 72% | 0.718 | S | S | . | * | trans | -58.6 | 113.4 | 173.3 | -175.5 | -16.8 | 0 | 0 | 0 | 109.8 | Y136 R137 | N134-Y136 PolarHBondContact O-N 2.83Å; N134-Y136 WeakPolarHBondContact OD1-CB 3.37Å; N134-Y136 WeakPolarHBondContact OD1-CD2 3.33Å; N134-Y136 PolarHBondContact OD1-N 3.12Å; N134-R137 HydrophobicContact CB-CB 4.28Å; N134-R137 WeakPolarHBondContact O-CB 3.45Å; N134-R137 PolarHBondContact O-N 2.9Å | ||
| 135 | I | 62.3 | Low | 57.8 | Low | 132 Ų | 132 | 145.4 Ų | 145.4 | 68% | 0.677 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -62.9 | -25.3 | -175.1 | -43.2 | 175.2 | 0 | 0 | 0 | 111.1 | S133 R137 | S133-I135 PolarHBondContact O-N 3.39Å; S133-I135 VanDerWaalsContact O-N 3.12Å; I135-R137 VanDerWaalsContact C-N 3.27Å; I135-R137 PolarHBondContact O-N 3.36Å |
| 136 | Y | 61.4 | Low | 57.6 | Low | 220 Ų | 220 | 146 Ų | 146 | 86% | 0.863 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -80.7 | -4.2 | 176.9 | -59.5 | -81.9 | 0 | 0 | 0 | 113.9 | N134 | N134-Y136 PolarHBondContact O-N 2.83Å; N134-Y136 WeakPolarHBondContact OD1-CB 3.37Å; N134-Y136 WeakPolarHBondContact OD1-CD2 3.33Å; N134-Y136 PolarHBondContact OD1-N 3.12Å |
| 137 | R | 60.8 | Low | 57.9 | Low | 221 Ų | 221 | 144.3 Ų | 144.3 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -102.1 | -3.3 | 175.3 | -138.4 | -176.4 | -158.9 | -149.9 | 4.9 | 112.9 | N134 I135 | N134-R137 HydrophobicContact CB-CB 4.28Å; N134-R137 WeakPolarHBondContact O-CB 3.45Å; N134-R137 PolarHBondContact O-N 2.9Å; I135-R137 VanDerWaalsContact C-N 3.27Å; I135-R137 PolarHBondContact O-N 3.36Å |
| 138 | K | 70.4 | Confident | 57.4 | Low | 130 Ų | 130 | 144.4 Ų | 144.4 | 57% | 0.565 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -80.1 | 126 | 176.2 | -65.3 | -175.3 | -178.9 | -177.7 | 0 | 108.8 | ||
| 139 | P | 63.7 | Low | 57.2 | Low | 89 Ų | 89 | 140.1 Ų | 140.1 | 58% | 0.578 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 154.3 | 172.3 | 26.8 | -32 | 0 | 0 | 0 | 110.1 | I141 | P139-I141 PolarHBondContact O-N 2.9Š|
| 140 | P | 62.3 | Low | 56.7 | Low | 79 Ų | 79 | 139.6 Ų | 139.6 | 51% | 0.513 | 72% | 0.724 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 137.9 | -180 | 24 | -33.7 | 0 | 0 | 0 | 111 | Y142 K143 | P140-Y142 HydrophobicContact CB-CD1 3.83Å; P140-Y142 HydrophobicContact CB-CE1 3.9Å; P140-Y142 HydrophobicContact CG-CD1 4.02Å; P140-Y142 HydrophobicContact CG-CE1 3.62Å; P140-Y142 PolarHBondContact O-N 2.91Å; P140-K143 PolarHBondContact O-N 3.22Å |
| 141 | I | 63.2 | Low | 56.7 | Low | 151 Ų | 151 | 141.2 Ų | 141.2 | 77% | 0.774 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -58.3 | -18.6 | -166.1 | -60.3 | 169.2 | 0 | 0 | 0 | 113.3 | P139 K143 H144 | P139-I141 PolarHBondContact O-N 2.9Å; I141-K143 PolarHBondContact O-N 2.8Å; I141-H144 PolarHBondContact O-N 2.87Å |
| 142 | Y | 58.4 | Low | 56.2 | Low | 180 Ų | 180 | 137.3 Ų | 137.3 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -72.1 | -8.4 | 176.9 | 85.7 | -92.5 | 0 | 0 | 0 | 114.3 | P140 | P140-Y142 HydrophobicContact CB-CD1 3.83Å; P140-Y142 HydrophobicContact CB-CE1 3.9Å; P140-Y142 HydrophobicContact CG-CD1 4.02Å; P140-Y142 HydrophobicContact CG-CE1 3.62Å; P140-Y142 PolarHBondContact O-N 2.91Å |
| 143 | K | 55 | Low | 55.8 | Low | 124 Ų | 124 | 137.6 Ų | 137.6 | 54% | 0.539 | 71% | 0.705 | S | S | . | * | G | 310 helix | trans | -94.6 | 13.8 | 178.2 | -68.6 | -68.2 | -163.8 | -178.7 | 0 | 113.9 | P140 I141 D145 | P140-K143 PolarHBondContact O-N 3.22Å; I141-K143 PolarHBondContact O-N 2.8Å; K143-D145 PolarHBondContact O-N 2.83Å |
| 144 | H | 56.3 | Low | 55.3 | Low | 157 Ų | 157 | 137.6 Ų | 137.6 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | -76 | 95.8 | 170.5 | -90.4 | -74.4 | 0 | 0 | 0 | 109.6 | I141 | I141-H144 PolarHBondContact O-N 2.87Š| ||
| 145 | D | 45.8 | Very low | 54.7 | Low | 145 Ų | 145 | 139 Ų | 139 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | trans | -55.5 | 139.1 | 168.9 | -70.1 | -43.3 | 0 | 0 | 0 | 110.4 | K143 N147 | K143-D145 PolarHBondContact O-N 2.83Å; D145-N147 PolarHBondContact O-N 2.76Å | ||
| 146 | L | 50.5 | Low | 54.2 | Low | 159 Ų | 159 | 140 Ų | 140 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -49.1 | 111.1 | 171.2 | -67.7 | 80.6 | 0 | 0 | 0 | 108.7 | ||
| 147 | N | 49.9 | Very low | 53.9 | Low | 150 Ų | 150 | 137.1 Ų | 137.1 | 80% | 0.802 | 73% | 0.727 | S | S | * | * | trans | 166 | 101.6 | 143.8 | -83.3 | -13.5 | 0 | 0 | 0 | 110.9 | D145 | D145-N147 PolarHBondContact O-N 2.76Š| ||
| 148 | K | 42.9 | Very low | 53.6 | Low | 199 Ų | 199 | 131.6 Ų | 131.6 | 87% | 0.865 | 72% | 0.722 | S | S | * | * | trans | 164.6 | 128.2 | 135.4 | -89.1 | 166 | -170.7 | -171.7 | 0 | 110 | ||||
| 149 | P | 49.8 | Very low | 53.1 | Low | 134 Ų | 134 | 128.6 Ų | 128.6 | 87% | 0.87 | 72% | 0.722 | S | S | * | * | trans | -83.5 | 117.8 | 169.7 | 33 | -26.3 | 0 | 0 | 0 | 108.2 | ||||
| 150 | S | 43.1 | Very low | 52.8 | Low | 104 Ų | 104 | 132.7 Ų | 132.7 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -138.7 | 101.5 | 168.4 | 179.1 | 0 | 0 | 0 | 0 | 107.8 | G152 | S150-G152 PolarHBondContact O-N 3.12Š| ||
| 151 | E | 52.3 | Low | 52.6 | Low | 199 Ų | 199 | 135.9 Ų | 135.9 | 93% | 0.93 | 74% | 0.736 | S | S | * | * | trans | 14.6 | 78.8 | 150.1 | -66.2 | 175.1 | 150.7 | 0 | 0 | 116.2 | ||||
| 152 | G | 47.8 | Very low | 52.4 | Low | 56 Ų | 56 | 134.5 Ų | 134.5 | 58% | 0.577 | 74% | 0.737 | S | S | * | * | trans | -126 | 12.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113 | S150 G154 | S150-G152 PolarHBondContact O-N 3.12Å; G152-G154 PolarHBondContact O-N 3.18Å | ||
| 153 | S | 52.2 | Low | 52.2 | Low | 100 Ų | 100 | 130.6 Ų | 130.6 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 20 | -173.5 | -175.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 154 | G | 51.1 | Low | 52.2 | Low | 62 Ų | 62 | 128.5 Ų | 128.5 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -24 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | G152 | G152-G154 PolarHBondContact O-N 3.18Š|
| 155 | V | 49.1 | Very low | 52.4 | Low | 127 Ų | 127 | 127.4 Ų | 127.4 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -17.1 | -167.2 | -179.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 156 | I | 51.9 | Low | 53.4 | Low | 153 Ų | 153 | 125.8 Ų | 125.8 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -0.5 | -172.3 | -52.7 | 176.5 | 0 | 0 | 0 | 112.6 | ||
| 157 | Q | 56.4 | Low | 54.1 | Low | 160 Ų | 160 | 123 Ų | 123 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -99.6 | -8.9 | -172.4 | -68 | -165.3 | -2.7 | 0 | 0 | 116.4 | ||
| 158 | S | 53.9 | Low | 55.2 | Low | 106 Ų | 106 | 119.6 Ų | 119.6 | 74% | 0.741 | 71% | 0.713 | S | S | * | * | trans | -98 | -4.6 | -176 | 57.9 | 0 | 0 | 0 | 0 | 115.2 | K160 | S158-K160 PolarHBondContact O-N 2.81Š| ||
| 159 | A | 58.6 | Low | 56.7 | Low | 67 Ų | 67 | 116 Ų | 116 | 55% | 0.554 | 71% | 0.711 | S | S | * | * | trans | -79.7 | 67.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F161 | A159-F161 HydrophobicContact CB-CD2 4.05Å; A159-F161 HydrophobicContact CB-CE2 3.89Å; A159-F161 PolarHBondContact O-N 3.1Å | ||
| 160 | K | 58.5 | Low | 57.9 | Low | 175 Ų | 175 | 116.5 Ų | 116.5 | 76% | 0.761 | 71% | 0.706 | S | S | * | * | trans | -77.5 | 73.2 | 173.2 | -154.8 | 89.1 | 166.9 | -172.1 | 0 | 108.7 | S158 P162 | S158-K160 PolarHBondContact O-N 2.81Å; K160-P162 VanDerWaalsContact O-CD 3.25Å; K160-P162 WeakPolarHBondContact O-CD 3.49Å | ||
| 161 | F | 58 | Low | 59.2 | Low | 146 Ų | 146 | 117.6 Ų | 117.6 | 64% | 0.64 | 70% | 0.7 | S | S | * | * | trans | -65.3 | 118.4 | 172 | -78.5 | -85.4 | 0 | 0 | 0 | 108.9 | A159 A163 A164 | A159-F161 HydrophobicContact CB-CD2 4.05Å; A159-F161 HydrophobicContact CB-CE2 3.89Å; A159-F161 PolarHBondContact O-N 3.1Å; F161-A163 PolarHBondContact O-N 3.04Å; F161-A163 VanDerWaalsContact O-N 3.14Å; F161-A164 HydrophobicContact CB-CB 4.04Å; F161-A164 WeakPolarHBondContact O-CB 3.45Å; F161-A164 PolarHBondContact O-N 3.45Å | ||
| 162 | P | 58.7 | Low | 59.9 | Low | 121 Ų | 121 | 114 Ų | 114 | 79% | 0.786 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -59 | -26.8 | 176.9 | -22.2 | 33.2 | 0 | 0 | 0 | 112.4 | K160 A164 | K160-P162 VanDerWaalsContact O-CD 3.25Å; K160-P162 WeakPolarHBondContact O-CD 3.49Å; P162-A164 VanDerWaalsContact C-N 3.26Å; P162-A164 PolarHBondContact O-N 2.66Å |
| 163 | A | 53.8 | Low | 60.6 | Low | 99 Ų | 99 | 114.1 Ų | 114.1 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -76 | -4.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F161 | F161-A163 PolarHBondContact O-N 3.04Å; F161-A163 VanDerWaalsContact O-N 3.14Å |
| 164 | A | 54.8 | Low | 61 | Low | 79 Ų | 79 | 119.6 Ų | 119.6 | 65% | 0.653 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -96.3 | -4.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F161 P162 | F161-A164 HydrophobicContact CB-CB 4.04Å; F161-A164 WeakPolarHBondContact O-CB 3.45Å; F161-A164 PolarHBondContact O-N 3.45Å; P162-A164 VanDerWaalsContact C-N 3.26Å; P162-A164 PolarHBondContact O-N 2.66Å |
| 165 | Q | 61.9 | Low | 61.7 | Low | 135 Ų | 135 | 123.9 Ų | 123.9 | 63% | 0.631 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -87.2 | 126.9 | 169.9 | -72.8 | -83.4 | -16.8 | 0 | 0 | 108.4 | ||
| 166 | P | 65.4 | Low | 62.1 | Low | 110 Ų | 110 | 125.6 Ų | 125.6 | 71% | 0.714 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -60 | 131.8 | 173.6 | 23.7 | -29.6 | 0 | 0 | 0 | 108.8 | ||
| 167 | P | 65.7 | Low | 62.3 | Low | 102 Ų | 102 | 123.8 Ų | 123.8 | 66% | 0.662 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 147.3 | 178.1 | 22.5 | -30.3 | 0 | 0 | 0 | 110.5 | P169 | P167-P169 WeakPolarHBondContact O-CD 3.3Š|
| 168 | D | 73.8 | Confident | 62.2 | Low | 77 Ų | 77 | 126 Ų | 126 | 41% | 0.412 | 71% | 0.709 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 121.2 | 178.6 | -176 | -9 | 0 | 0 | 0 | 109.6 | N170 Q171 | D168-N170 PolarHBondContact O-N 3.29Å; D168-N170 PolarHBondContact OD1-N 2.91Å; D168-N170 PolarHBondContact OD1-ND2 3.41Å; D168-Q171 HydrophobicContact CB-CB 4.35Å; D168-Q171 HydrophobicContact CB-CG 4.11Å; D168-Q171 PolarHBondContact O-N 2.91Å |
| 169 | P | 73.5 | Confident | 62.3 | Low | 124 Ų | 124 | 129.4 Ų | 129.4 | 81% | 0.805 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | -18.9 | -177.8 | -24.1 | 32.1 | 0 | 0 | 0 | 114.4 | P167 | P167-P169 WeakPolarHBondContact O-CD 3.3Š|
| 170 | N | 74.9 | Confident | 61.9 | Low | 145 Ų | 145 | 137 Ų | 137 | 78% | 0.775 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -1.3 | 180 | -57.4 | -62.3 | 0 | 0 | 0 | 113.5 | D168 | D168-N170 PolarHBondContact O-N 3.29Å; D168-N170 PolarHBondContact OD1-N 2.91Å; D168-N170 PolarHBondContact OD1-ND2 3.41Å |
| 171 | Q | 71.8 | Confident | 61.8 | Low | 127 Ų | 127 | 132.5 Ų | 132.5 | 59% | 0.593 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -105.3 | 129.7 | 173.9 | -66.4 | -172.7 | 29.3 | 0 | 0 | 109.7 | D168 S173 | D168-Q171 HydrophobicContact CB-CB 4.35Å; D168-Q171 HydrophobicContact CB-CG 4.11Å; D168-Q171 PolarHBondContact O-N 2.91Å; Q171-S173 PolarHBondContact O-N 3.17Å |
| 172 | P | 65.8 | Low | 61.2 | Low | 123 Ų | 123 | 130.1 Ų | 130.1 | 80% | 0.799 | 71% | 0.711 | S | S | * | * | trans | -61 | 135 | 175.1 | 25.8 | -32.8 | 0 | 0 | 0 | 109.8 | K174 | P172-K174 PolarHBondContact O-N 3.39Š| ||
| 173 | S | 62.4 | Low | 61.2 | Low | 59 Ų | 59 | 129.2 Ų | 129.2 | 41% | 0.413 | 71% | 0.705 | S | S | . | * | trans | -51.1 | 127.4 | 176.9 | -59.5 | 0 | 0 | 0 | 0 | 110.5 | Q171 I175 | Q171-S173 PolarHBondContact O-N 3.17Å; S173-I175 PolarHBondContact O-N 3.4Å | ||
| 174 | K | 61.4 | Low | 61.7 | Low | 214 Ų | 214 | 128.7 Ų | 128.7 | 93% | 0.93 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | 3.7 | 175.2 | -79.4 | -175.9 | 178.4 | 178.9 | 0 | 114.5 | P172 | P172-K174 PolarHBondContact O-N 3.39Š|
| 175 | I | 64.9 | Low | 61.9 | Low | 152 Ų | 152 | 128 Ų | 128 | 78% | 0.779 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | 45.7 | -175.7 | 54.6 | 158.5 | 0 | 0 | 0 | 110.8 | S173 | S173-I175 PolarHBondContact O-N 3.4Š|
| 176 | E | 57.3 | Low | 61.8 | Low | 163 Ų | 163 | 128.8 Ų | 128.8 | 76% | 0.762 | 69% | 0.692 | S | S | * | * | trans | -129.1 | 59.4 | 168 | -67.9 | -174.1 | -166.7 | 0 | 0 | 110.5 | ||||
| 177 | T | 55.7 | Low | 61.4 | Low | 116 Ų | 116 | 126.1 Ų | 126.1 | 71% | 0.712 | 68% | 0.678 | S | S | * | * | trans | -95.2 | 106.6 | 138.3 | 34.9 | 0 | 0 | 0 | 0 | 106.7 | Y179 | T177-Y179 CarbonylContact O-C 3.53Å; T177-Y179 PolarHBondContact O-N 3.25Å | ||
| 178 | E | 55.3 | Low | 61.5 | Low | 205 Ų | 205 | 123 Ų | 123 | 96% | 0.958 | 66% | 0.662 | S | S | * | * | trans | -55.9 | -10 | 166.7 | -91.6 | -177 | 165.1 | 0 | 0 | 112.9 | W180 | E178-W180 VanDerWaalsContact C-N 3.3Å; E178-W180 PolarHBondContact O-N 3.01Å | ||
| 179 | Y | 55.5 | Low | 61.2 | Low | 179 Ų | 179 | 123.2 Ų | 123.2 | 70% | 0.702 | 66% | 0.661 | S | S | * | * | trans | -74.8 | 84.8 | 164.8 | -163.3 | -104.9 | 0 | 0 | 0 | 109.8 | T177 P181 | T177-Y179 CarbonylContact O-C 3.53Å; T177-Y179 PolarHBondContact O-N 3.25Å; Y179-P181 HydrophobicContact CE1-CB 4.45Å; Y179-P181 WeakPolarHBondContact O-CD 3.48Å; Y179-P181 VanDerWaalsContact O-N 3.1Å | ||
| 180 | W | 51.3 | Low | 60.8 | Low | 227 Ų | 227 | 122.4 Ų | 122.4 | 86% | 0.86 | 65% | 0.647 | S | S | * | * | trans | -52.4 | 114.5 | 152.3 | -106.8 | 123.3 | 0 | 0 | 0 | 106.4 | E178 C182 | E178-W180 VanDerWaalsContact C-N 3.3Å; E178-W180 PolarHBondContact O-N 3.01Å; W180-C182 PolarHBondContact O-N 3.07Å | ||
| 181 | P | 54.7 | Low | 60.5 | Low | 80 Ų | 80 | 119.7 Ų | 119.7 | 52% | 0.519 | 63% | 0.631 | S | S | . | * | trans | -64.8 | 100.6 | 168.3 | 27.9 | -32.1 | 0 | 0 | 0 | 104.6 | Y179 P183 | Y179-P181 HydrophobicContact CE1-CB 4.45Å; Y179-P181 WeakPolarHBondContact O-CD 3.48Å; Y179-P181 VanDerWaalsContact O-N 3.1Å; P181-P183 WeakPolarHBondContact O-CD 3.21Å | ||
| 182 | C | 46.6 | Very low | 60.3 | Low | 96 Ų | 96 | 120.3 Ų | 120.3 | 65% | 0.649 | 63% | 0.634 | S | S | * | * | trans | -52.3 | 120 | 159.7 | -170.3 | 0 | 0 | 0 | 0 | 103.9 | W180 P184 | W180-C182 PolarHBondContact O-N 3.07Å; C182-P184 VanDerWaalsContact O-N 3.11Å | ||
| 183 | P | 59.1 | Low | 60 | Low | 102 Ų | 102 | 123.2 Ų | 123.2 | 66% | 0.662 | 63% | 0.629 | S | S | * | * | trans | -49.7 | 130.2 | 177.9 | 19.7 | -30.7 | 0 | 0 | 0 | 106.2 | P181 S185 | P181-P183 WeakPolarHBondContact O-CD 3.21Å; P183-S185 PolarHBondContact O-N 3.09Å | ||
| 184 | P | 63 | Low | 60.1 | Low | 87 Ų | 87 | 126.3 Ų | 126.3 | 57% | 0.565 | 63% | 0.632 | S | S | * | * | trans | -43.1 | 117.5 | -171.7 | -32.2 | 35.3 | 0 | 0 | 0 | 109.1 | C182 L186 M189 | C182-P184 VanDerWaalsContact O-N 3.11Å; P184-L186 PolarHBondContact O-N 3.16Å; P184-M189 HydrophobicContact CB-CG 3.67Å; P184-M189 HydrophobicContact CB-SD 4.47Å | ||
| 185 | S | 59.3 | Low | 60.3 | Low | 65 Ų | 65 | 123.2 Ų | 123.2 | 46% | 0.455 | 62% | 0.618 | S | S | . | * | trans | -54.2 | 145.4 | -178.3 | 68.6 | 0 | 0 | 0 | 0 | 107.9 | P183 A187 A188 M189 | P183-S185 PolarHBondContact O-N 3.09Å; S185-A187 CarbonylContact O-C 3.56Å; S185-A187 PolarHBondContact O-N 2.91Å; S185-A188 CarbonylContact O-C 3.49Å; S185-A188 WeakPolarHBondContact O-CA 3.24Å; S185-A188 WeakPolarHBondContact O-CB 3.35Å; S185-A188 PolarHBondContact O-N 3.2Å; S185-A188 VanDerWaalsContact OG-CB 3.31Å; S185-A188 WeakPolarHBondContact OG-CB 3.38Å; S185-A188 PolarHBondContact OG-N 2.94Å; S185-M189 PolarHBondContact O-N 3.43Å | ||
| 186 | L | 59.6 | Low | 60.1 | Low | 152 Ų | 152 | 123.1 Ų | 123.1 | 80% | 0.796 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -49.8 | -33.7 | 176.8 | -101.1 | 164 | 0 | 0 | 0 | 111.6 | P184 E190 | P184-L186 PolarHBondContact O-N 3.16Å; L186-E190 VanDerWaalsContact O-CB 3.32Å; L186-E190 WeakPolarHBondContact O-CB 3.46Å; L186-E190 PolarHBondContact O-N 2.95Å |
| 187 | A | 57.6 | Low | 60 | Low | 53 Ų | 53 | 121.7 Ų | 121.7 | 44% | 0.438 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.3 | -42.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S185 E190 I191 | S185-A187 CarbonylContact O-C 3.56Å; S185-A187 PolarHBondContact O-N 2.91Å; A187-E190 PolarHBondContact O-N 2.71Å; A187-I191 WeakPolarHBondContact O-CB 3.32Å; A187-I191 VanDerWaalsContact O-CD1 3.32Å; A187-I191 WeakPolarHBondContact O-CD1 3.34Å; A187-I191 WeakPolarHBondContact O-CG1 3.42Å; A187-I191 PolarHBondContact O-N 3.04Å |
| 188 | A | 67.8 | Low | 59.7 | Low | 38 Ų | 38 | 122.1 Ų | 122.1 | 31% | 0.314 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.8 | -42.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S185 I191 E192 | S185-A188 CarbonylContact O-C 3.49Å; S185-A188 WeakPolarHBondContact O-CA 3.24Å; S185-A188 WeakPolarHBondContact O-CB 3.35Å; S185-A188 PolarHBondContact O-N 3.2Å; S185-A188 VanDerWaalsContact OG-CB 3.31Å; S185-A188 WeakPolarHBondContact OG-CB 3.38Å; S185-A188 PolarHBondContact OG-N 2.94Å; A188-I191 PolarHBondContact O-N 3.35Å; A188-E192 WeakPolarHBondContact O-CB 3.48Å; A188-E192 WeakPolarHBondContact O-CG 3.26Å; A188-E192 PolarHBondContact O-N 3.32Å |
| 189 | M | 67.9 | Low | 59.5 | Low | 81 Ų | 81 | 118.8 Ų | 118.8 | 40% | 0.399 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.8 | -43.4 | 172.9 | -70.2 | -173.3 | 66.3 | 0 | 0 | 111.7 | P184 S185 I191 E192 W193 | P184-M189 HydrophobicContact CB-CG 3.67Å; P184-M189 HydrophobicContact CB-SD 4.47Å; S185-M189 PolarHBondContact O-N 3.43Å; M189-I191 VanDerWaalsContact C-N 3.33Å; M189-I191 PolarHBondContact O-N 2.95Å; M189-E192 PolarHBondContact O-N 2.98Å; M189-W193 VanDerWaalsContact O-CB 3.3Å; M189-W193 WeakPolarHBondContact O-CB 3.13Å; M189-W193 VanDerWaalsContact O-CG 3.31Å; M189-W193 PolarHBondContact O-N 3.45Å |
| 190 | E | 63.9 | Low | 59.3 | Low | 107 Ų | 107 | 115.7 Ų | 115.7 | 50% | 0.5 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.4 | -34.7 | 178.4 | -159.5 | -169.8 | 157.7 | 0 | 0 | 111.9 | L186 A187 R194 | L186-E190 VanDerWaalsContact O-CB 3.32Å; L186-E190 WeakPolarHBondContact O-CB 3.46Å; L186-E190 PolarHBondContact O-N 2.95Å; A187-E190 PolarHBondContact O-N 2.71Å; E190-R194 VanDerWaalsContact O-CB 3.26Å; E190-R194 WeakPolarHBondContact O-CB 3.47Å; E190-R194 VanDerWaalsContact O-CG 3.23Å; E190-R194 WeakPolarHBondContact O-CG 3.33Å; E190-R194 PolarHBondContact O-N 2.94Å; E190-R194 IonicContact OE1-CZ 3.54Å; E190-R194 IonicContact OE1-NE 3.97Å; E190-R194 PolarHBondContact OE1-NE 3Å; E190-R194 IonicContact OE1-NH2 3.71Å; E190-R194 PolarHBondContact OE1-NH2 3.4Å; E190-R194 IonicContact OE2-NH2 2.74Å; E190-R194 PolarHBondContact OE2-NH2 3.01Å |
| 191 | I | 69.2 | Low | 59.1 | Low | 88 Ų | 88 | 111.9 Ų | 111.9 | 45% | 0.451 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.3 | -43.5 | 173.4 | -68.8 | 161.1 | 0 | 0 | 0 | 110.5 | A187 A188 M189 R194 K195 | A187-I191 WeakPolarHBondContact O-CB 3.32Å; A187-I191 VanDerWaalsContact O-CD1 3.32Å; A187-I191 WeakPolarHBondContact O-CD1 3.34Å; A187-I191 WeakPolarHBondContact O-CG1 3.42Å; A187-I191 PolarHBondContact O-N 3.04Å; A188-I191 PolarHBondContact O-N 3.35Å; M189-I191 VanDerWaalsContact C-N 3.33Å; M189-I191 PolarHBondContact O-N 2.95Å; I191-R194 PolarHBondContact O-N 3.36Å; I191-K195 VanDerWaalsContact O-CB 3.32Å; I191-K195 WeakPolarHBondContact O-CB 3.13Å; I191-K195 PolarHBondContact O-N 3.28Å |
| 192 | E | 67.9 | Low | 58.7 | Low | 139 Ų | 139 | 115.6 Ų | 115.6 | 65% | 0.65 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.4 | -36.4 | 175.4 | -75.4 | -156.3 | 170.5 | 0 | 0 | 112.3 | A188 M189 K195 K196 | A188-E192 WeakPolarHBondContact O-CB 3.48Å; A188-E192 WeakPolarHBondContact O-CG 3.26Å; A188-E192 PolarHBondContact O-N 3.32Å; M189-E192 PolarHBondContact O-N 2.98Å; E192-K195 PolarHBondContact O-N 3.23Å; E192-K196 WeakPolarHBondContact O-CB 3.47Å; E192-K196 PolarHBondContact O-N 3.45Å |
| 193 | W | 59.8 | Low | 58.8 | Low | 185 Ų | 185 | 118.5 Ų | 118.5 | 70% | 0.701 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.9 | -39.2 | 173.3 | -79.5 | 36.2 | 0 | 0 | 0 | 111.4 | M189 K197 | M189-W193 VanDerWaalsContact O-CB 3.3Å; M189-W193 WeakPolarHBondContact O-CB 3.13Å; M189-W193 VanDerWaalsContact O-CG 3.31Å; M189-W193 PolarHBondContact O-N 3.45Å; W193-K197 WeakPolarHBondContact O-CB 3.08Å; W193-K197 PolarHBondContact O-N 3.47Å |
| 194 | R | 63.4 | Low | 57.8 | Low | 124 Ų | 124 | 120.2 Ų | 120.2 | 47% | 0.468 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.3 | -37.9 | 172.6 | -77.6 | -170.5 | -123.9 | 107.7 | -10.8 | 111.8 | E190 I191 L198 | E190-R194 VanDerWaalsContact O-CB 3.26Å; E190-R194 WeakPolarHBondContact O-CB 3.47Å; E190-R194 VanDerWaalsContact O-CG 3.23Å; E190-R194 WeakPolarHBondContact O-CG 3.33Å; E190-R194 PolarHBondContact O-N 2.94Å; E190-R194 IonicContact OE1-CZ 3.54Å; E190-R194 IonicContact OE1-NE 3.97Å; E190-R194 PolarHBondContact OE1-NE 3Å; E190-R194 IonicContact OE1-NH2 3.71Å; E190-R194 PolarHBondContact OE1-NH2 3.4Å; E190-R194 IonicContact OE2-NH2 2.74Å; E190-R194 PolarHBondContact OE2-NH2 3.01Å; I191-R194 PolarHBondContact O-N 3.36Å; R194-L198 WeakPolarHBondContact O-CB 3.49Å; R194-L198 PolarHBondContact O-N 3.39Å |
| 195 | K | 66.4 | Low | 57.2 | Low | 149 Ų | 149 | 124.7 Ų | 124.7 | 65% | 0.648 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.6 | -45.3 | 175.4 | -103 | -172.4 | 154.8 | -168.6 | 0 | 111.8 | I191 E192 K197 L198 Q199 | I191-K195 VanDerWaalsContact O-CB 3.32Å; I191-K195 WeakPolarHBondContact O-CB 3.13Å; I191-K195 PolarHBondContact O-N 3.28Å; E192-K195 PolarHBondContact O-N 3.23Å; K195-K197 VanDerWaalsContact C-N 3.3Å; K195-K197 PolarHBondContact O-N 3.15Å; K195-L198 CarbonylContact O-C 3.56Å; K195-L198 PolarHBondContact O-N 3.37Å; K195-L198 VanDerWaalsContact O-N 3.11Å; K195-Q199 WeakPolarHBondContact O-CB 3.47Å; K195-Q199 PolarHBondContact O-N 2.91Å |
| 196 | K | 60.2 | Low | 56.7 | Low | 149 Ų | 149 | 128 Ų | 128 | 65% | 0.648 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -59.5 | -44.3 | 174.6 | -174.9 | 174.5 | 177.9 | 174.2 | 0 | 110.1 | E192 L198 Q199 E200 | E192-K196 WeakPolarHBondContact O-CB 3.47Å; E192-K196 PolarHBondContact O-N 3.45Å; K196-L198 VanDerWaalsContact C-N 3.33Å; K196-L198 PolarHBondContact O-N 2.69Å; K196-Q199 PolarHBondContact O-N 3.5Å; K196-E200 WeakPolarHBondContact O-CB 3.2Å; K196-E200 PolarHBondContact O-N 3.44Å |
| 197 | K | 55.4 | Low | 56.4 | Low | 133 Ų | 133 | 125 Ų | 125 | 58% | 0.578 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.8 | -35.7 | 173.7 | -170.9 | -179.9 | 178.4 | -172.9 | 0 | 113.3 | W193 K195 E201 | W193-K197 WeakPolarHBondContact O-CB 3.08Å; W193-K197 PolarHBondContact O-N 3.47Å; K195-K197 VanDerWaalsContact C-N 3.3Å; K195-K197 PolarHBondContact O-N 3.15Å; K197-E201 PolarHBondContact O-N 2.9Å |
| 198 | L | 50.3 | Low | 56.3 | Low | 125 Ų | 125 | 125.1 Ų | 125.1 | 65% | 0.654 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -74.2 | -32.9 | 176.5 | -118.4 | 157 | 0 | 0 | 0 | 112.5 | R194 K195 K196 | R194-L198 WeakPolarHBondContact O-CB 3.49Å; R194-L198 PolarHBondContact O-N 3.39Å; K195-L198 CarbonylContact O-C 3.56Å; K195-L198 PolarHBondContact O-N 3.37Å; K195-L198 VanDerWaalsContact O-N 3.11Å; K196-L198 VanDerWaalsContact C-N 3.33Å; K196-L198 PolarHBondContact O-N 2.69Å |
| 199 | Q | 49.8 | Very low | 55.8 | Low | 136 Ų | 136 | 130.8 Ų | 130.8 | 64% | 0.636 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -75.6 | -32.2 | 175.5 | -168.4 | 168.4 | 5.8 | 0 | 0 | 111.4 | K195 K196 E201 D202 | K195-Q199 WeakPolarHBondContact O-CB 3.47Å; K195-Q199 PolarHBondContact O-N 2.91Å; K196-Q199 PolarHBondContact O-N 3.5Å; Q199-E201 VanDerWaalsContact C-N 3.25Å; Q199-E201 PolarHBondContact O-N 3.06Å; Q199-D202 PolarHBondContact O-N 3.26Å |
| 200 | E | 52.3 | Low | 55.3 | Low | 113 Ų | 113 | 133.7 Ų | 133.7 | 53% | 0.528 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.8 | -16.7 | 173.5 | -166.7 | 177 | -174.3 | 0 | 0 | 112.9 | K196 | K196-E200 WeakPolarHBondContact O-CB 3.2Å; K196-E200 PolarHBondContact O-N 3.44Å |
| 201 | E | 47.3 | Very low | 55.2 | Low | 147 Ų | 147 | 134.8 Ų | 134.8 | 69% | 0.687 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -14.4 | 174.1 | -78.3 | -166.9 | 178.8 | 0 | 0 | 114 | K197 Q199 | K197-E201 PolarHBondContact O-N 2.9Å; Q199-E201 VanDerWaalsContact C-N 3.25Å; Q199-E201 PolarHBondContact O-N 3.06Å |
| 202 | D | 46.3 | Very low | 54.9 | Low | 159 Ų | 159 | 136.2 Ų | 136.2 | 85% | 0.85 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | -7 | -177.9 | -143.6 | 28.3 | 0 | 0 | 0 | 113.5 | Q199 | Q199-D202 PolarHBondContact O-N 3.26Š|
| 203 | E | 47.3 | Very low | 55 | Low | 157 Ų | 157 | 135.1 Ų | 135.1 | 73% | 0.734 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -121 | 19.8 | -179.9 | -152.8 | 166.7 | -162.5 | 0 | 0 | 112.1 | E205 | E203-E205 VanDerWaalsContact C-N 3.34Å; E203-E205 PolarHBondContact O-N 2.74Å; E203-E205 VanDerWaalsContact O-N 3.09Å |
| 204 | F | 38.8 | Very low | 55.6 | Low | 137 Ų | 137 | 131.8 Ų | 131.8 | 60% | 0.601 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 73.3 | 178.1 | -152.3 | -87.6 | 0 | 0 | 0 | 110.8 | T208 | F204-T208 HydrophobicContact CE2-CG2 4.32Š|
| 205 | E | 50.3 | Low | 55.9 | Low | 182 Ų | 182 | 130.2 Ų | 130.2 | 85% | 0.85 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.2 | -6.1 | 152.7 | -126.1 | 173.5 | -166.7 | 0 | 0 | 117.6 | E203 | E203-E205 VanDerWaalsContact C-N 3.34Å; E203-E205 PolarHBondContact O-N 2.74Å; E203-E205 VanDerWaalsContact O-N 3.09Å |
| 206 | V | 48.4 | Very low | 56.3 | Low | 133 Ų | 133 | 126.7 Ų | 126.7 | 81% | 0.806 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138 | -11.9 | -174.3 | -168.5 | 0 | 0 | 0 | 0 | 118 | ||
| 207 | V | 53.5 | Low | 57.2 | Low | 89 Ų | 89 | 124.5 Ų | 124.5 | 54% | 0.539 | 61% | 0.605 | S | S | . | * | trans | -129.4 | 76.5 | -178.6 | -169.3 | 0 | 0 | 0 | 0 | 112.2 | E211 | V207-E211 HydrophobicContact CG1-CG 3.98Š| ||
| 208 | T | 55.9 | Low | 58.4 | Low | 57 Ų | 57 | 124.3 Ų | 124.3 | 35% | 0.35 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -133.1 | -14 | 177.8 | -8.7 | 0 | 0 | 0 | 0 | 115.2 | F204 Q212 | F204-T208 HydrophobicContact CE2-CG2 4.32Å; T208-Q212 WeakPolarHBondContact O-CG 3.23Å |
| 209 | E | 56.9 | Low | 59.5 | Low | 156 Ų | 156 | 119.6 Ų | 119.6 | 73% | 0.729 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -96.6 | -44 | 179.8 | -63.1 | -171.4 | 163.8 | 0 | 0 | 111.4 | E211 Q212 E213 | E209-E211 PolarHBondContact O-N 2.72Å; E209-Q212 PolarHBondContact O-N 3.26Å; E209-E213 WeakPolarHBondContact O-CG 3.46Å; E209-E213 PolarHBondContact O-N 3.42Å |
| 210 | E | 58 | Low | 60.7 | Low | 143 Ų | 143 | 119.4 Ų | 119.4 | 67% | 0.668 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.8 | -38 | -177 | -61.7 | -169 | 170.1 | 0 | 0 | 113.8 | Q214 | E210-Q214 VanDerWaalsContact O-CG 3.25Å; E210-Q214 WeakPolarHBondContact O-CG 3.22Å; E210-Q214 PolarHBondContact O-N 3.5Å; E210-Q214 VanDerWaalsContact O-N 3.16Å; E210-Q214 PolarHBondContact O-NE2 3.22Å |
| 211 | E | 61.3 | Low | 62.2 | Low | 129 Ų | 129 | 121 Ų | 121 | 60% | 0.603 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70.2 | -35 | 176.9 | -79.4 | -170.4 | 151.8 | 0 | 0 | 112.3 | V207 E209 Q214 Q215 | V207-E211 HydrophobicContact CG1-CG 3.98Å; E209-E211 PolarHBondContact O-N 2.72Å; E211-Q214 PolarHBondContact O-N 2.86Å; E211-Q215 PolarHBondContact O-N 3.13Å; E211-Q215 VanDerWaalsContact O-N 3.08Å |
| 212 | Q | 63 | Low | 63.6 | Low | 118 Ų | 118 | 117.9 Ų | 117.9 | 55% | 0.551 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.6 | -41 | 176.7 | -76.1 | -169.1 | 1.4 | 0 | 0 | 111.8 | T208 E209 Q214 Q215 E216 | T208-Q212 WeakPolarHBondContact O-CG 3.23Å; E209-Q212 PolarHBondContact O-N 3.26Å; Q212-Q214 VanDerWaalsContact C-N 3.31Å; Q212-Q214 PolarHBondContact O-N 3.11Å; Q212-Q215 PolarHBondContact O-N 3.27Å; Q212-E216 WeakPolarHBondContact O-CB 3.27Å; Q212-E216 PolarHBondContact O-N 2.75Å |
| 213 | E | 70.1 | Confident | 65 | Low | 116 Ų | 116 | 119.4 Ų | 119.4 | 54% | 0.542 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64 | -37.4 | 176 | -75.3 | -174.7 | 171.8 | 0 | 0 | 112 | E209 E216 Q217 | E209-E213 WeakPolarHBondContact O-CG 3.46Å; E209-E213 PolarHBondContact O-N 3.42Å; E213-E216 PolarHBondContact O-N 2.78Å; E213-Q217 WeakPolarHBondContact O-CB 3.48Å; E213-Q217 VanDerWaalsContact O-CG 3.29Å; E213-Q217 WeakPolarHBondContact O-CG 3.44Å; E213-Q217 PolarHBondContact O-N 3.12Å |
| 214 | Q | 73.4 | Confident | 66.6 | Low | 115 Ų | 115 | 114.2 Ų | 114.2 | 54% | 0.537 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65 | -45.5 | 175.7 | -73.3 | 174.3 | 42.8 | 0 | 0 | 111.5 | E210 E211 Q212 E216 Q217 E218 | E210-Q214 VanDerWaalsContact O-CG 3.25Å; E210-Q214 WeakPolarHBondContact O-CG 3.22Å; E210-Q214 PolarHBondContact O-N 3.5Å; E210-Q214 VanDerWaalsContact O-N 3.16Å; E210-Q214 PolarHBondContact O-NE2 3.22Å; E211-Q214 PolarHBondContact O-N 2.86Å; Q212-Q214 VanDerWaalsContact C-N 3.31Å; Q212-Q214 PolarHBondContact O-N 3.11Å; Q214-E216 VanDerWaalsContact C-N 3.32Å; Q214-E216 PolarHBondContact O-N 3.49Å; Q214-Q217 PolarHBondContact O-N 2.99Å; Q214-E218 WeakPolarHBondContact O-CG 3.4Å; Q214-E218 PolarHBondContact O-N 3.11Å |
| 215 | Q | 69.1 | Low | 68.6 | Low | 91 Ų | 91 | 114.5 Ų | 114.5 | 43% | 0.425 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.1 | -39 | 176.7 | -167.1 | -173.4 | -26.3 | 0 | 0 | 111.7 | E211 Q212 E218 L219 E234 | E211-Q215 PolarHBondContact O-N 3.13Å; E211-Q215 VanDerWaalsContact O-N 3.08Å; Q212-Q215 PolarHBondContact O-N 3.27Å; Q215-E218 PolarHBondContact O-N 2.81Å; Q215-L219 HydrophobicContact CG-CD1 4.39Å; Q215-L219 WeakPolarHBondContact O-CG 3.26Å; Q215-L219 PolarHBondContact O-N 2.79Å; Q215-E234 PolarHBondContact NE2-OE1 3.41Å; Q215-E234 PolarHBondContact NE2-OE2 3.09Å |
| 216 | E | 75.1 | Confident | 70.1 | Confident | 75 Ų | 75 | 111.3 Ų | 111.3 | 35% | 0.35 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 175.5 | -164.7 | -177.4 | 145.7 | 0 | 0 | 111.6 | Q212 E213 Q214 E218 L219 E220 L231 K235 | Q212-E216 WeakPolarHBondContact O-CB 3.27Å; Q212-E216 PolarHBondContact O-N 2.75Å; E213-E216 PolarHBondContact O-N 2.78Å; Q214-E216 VanDerWaalsContact C-N 3.32Å; Q214-E216 PolarHBondContact O-N 3.49Å; E216-E218 VanDerWaalsContact C-N 3.34Å; E216-E218 PolarHBondContact O-N 3.44Å; E216-L219 PolarHBondContact O-N 2.83Å; E216-E220 WeakPolarHBondContact O-CB 3.4Å; E216-E220 PolarHBondContact O-N 3.03Å; E216-L231 HydrophobicContact CG-CD1 3.57Å; E216-K235 WeakPolarHBondContact OE1-CE 3.45Å; E216-K235 IonicContact OE1-NZ 3.33Å; E216-K235 PolarHBondContact OE1-NZ 3.32Å; E216-K235 IonicContact OE2-NZ 2.63Å |
| 217 | Q | 78.3 | Confident | 71.8 | Confident | 104 Ų | 104 | 105 Ų | 105 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.9 | -36 | 177.8 | -73.8 | 179.1 | 40.1 | 0 | 0 | 112.4 | E213 Q214 E220 K221 | E213-Q217 WeakPolarHBondContact O-CB 3.48Å; E213-Q217 VanDerWaalsContact O-CG 3.29Å; E213-Q217 WeakPolarHBondContact O-CG 3.44Å; E213-Q217 PolarHBondContact O-N 3.12Å; Q214-Q217 PolarHBondContact O-N 2.99Å; Q217-E220 PolarHBondContact O-N 3.19Å; Q217-K221 VanDerWaalsContact O-CG 3.26Å; Q217-K221 WeakPolarHBondContact O-CG 3.26Å; Q217-K221 PolarHBondContact O-N 2.7Å; Q217-K221 VanDerWaalsContact O-N 3.15Å |
| 218 | E | 80.3 | Confident | 73 | Confident | 128 Ų | 128 | 108.8 Ų | 108.8 | 60% | 0.598 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.5 | -42.6 | 173.9 | -75.3 | -166.7 | 165.7 | 0 | 0 | 112.1 | Q214 Q215 E216 K221 | Q214-E218 WeakPolarHBondContact O-CG 3.4Å; Q214-E218 PolarHBondContact O-N 3.11Å; Q215-E218 PolarHBondContact O-N 2.81Å; E216-E218 VanDerWaalsContact C-N 3.34Å; E216-E218 PolarHBondContact O-N 3.44Å; E218-K221 PolarHBondContact O-N 3.38Å |
| 219 | L | 73.1 | Confident | 74.4 | Confident | 26 Ų | 26 | 111.2 Ų | 111.2 | 14% | 0.136 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -70.9 | -31.5 | 177.4 | -70.2 | 172.5 | 0 | 0 | 0 | 112.6 | Q215 E216 I222 I230 L231 E234 | Q215-L219 HydrophobicContact CG-CD1 4.39Å; Q215-L219 WeakPolarHBondContact O-CG 3.26Å; Q215-L219 PolarHBondContact O-N 2.79Å; E216-L219 PolarHBondContact O-N 2.83Å; L219-I222 HydrophobicContact CD2-CD1 4.15Å; L219-I222 WeakPolarHBondContact O-CB 3.4Å; L219-I222 PolarHBondContact O-N 3.37Å; L219-I230 HydrophobicContact CD1-CG2 4.19Å; L219-I230 HydrophobicContact CD2-CG2 4.23Å; L219-L231 HydrophobicContact CB-CD1 4.05Å; L219-E234 WeakPolarHBondContact CD1-OE2 3.31Å |
| 220 | E | 75.4 | Confident | 75.7 | Confident | 132 Ų | 132 | 106.8 Ų | 106.8 | 62% | 0.617 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.2 | -34.4 | 174.3 | -170.3 | 178.7 | -169.2 | 0 | 0 | 112.4 | E216 Q217 I222 | E216-E220 WeakPolarHBondContact O-CB 3.4Å; E216-E220 PolarHBondContact O-N 3.03Å; Q217-E220 PolarHBondContact O-N 3.19Å; E220-I222 PolarHBondContact O-N 2.85Å |
| 221 | K | 84.3 | Confident | 76.8 | Confident | 148 Ų | 148 | 101.2 Ų | 101.2 | 64% | 0.643 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.2 | -26 | 173.8 | -70.9 | 163.2 | -165.7 | 168.9 | 0 | 112.1 | Q217 E218 K223 | Q217-K221 VanDerWaalsContact O-CG 3.26Å; Q217-K221 WeakPolarHBondContact O-CG 3.26Å; Q217-K221 PolarHBondContact O-N 2.7Å; Q217-K221 VanDerWaalsContact O-N 3.15Å; E218-K221 PolarHBondContact O-N 3.38Å; K221-K223 PolarHBondContact O-N 3.36Å |
| 222 | I | 77.7 | Confident | 77.9 | Confident | 80 Ų | 80 | 102.3 Ų | 102.3 | 41% | 0.41 | 48% | 0.484 | S | S | . | . | trans | -76.2 | 91.9 | 176.3 | -54.4 | 174.2 | 0 | 0 | 0 | 109 | L219 E220 S224 | L219-I222 HydrophobicContact CD2-CD1 4.15Å; L219-I222 WeakPolarHBondContact O-CB 3.4Å; L219-I222 PolarHBondContact O-N 3.37Å; E220-I222 PolarHBondContact O-N 2.85Å; I222-S224 VanDerWaalsContact CG2-OG 3.27Å; I222-S224 WeakPolarHBondContact CG2-OG 3.37Å; I222-S224 PolarHBondContact O-N 2.95Å | ||
| 223 | K | 74.9 | Confident | 78.8 | Confident | 192 Ų | 192 | 100.8 Ų | 100.8 | 84% | 0.835 | 48% | 0.477 | S | S | * | . | trans | -69.2 | 25.4 | 174.6 | -61.2 | -178.8 | -177.2 | 177 | 0 | 114.1 | K221 | K221-K223 PolarHBondContact O-N 3.36Š| ||
| 224 | S | 81.2 | Confident | 79.4 | Confident | 48 Ų | 48 | 98.4 Ų | 98.4 | 34% | 0.336 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -92.5 | 150.2 | 176.7 | 83.3 | 0 | 0 | 0 | 0 | 110.8 | I222 L226 G227 R228 | I222-S224 VanDerWaalsContact CG2-OG 3.27Å; I222-S224 WeakPolarHBondContact CG2-OG 3.37Å; I222-S224 PolarHBondContact O-N 2.95Å; S224-L226 PolarHBondContact O-N 3.11Å; S224-L226 PolarHBondContact OG-N 3.43Å; S224-G227 PolarHBondContact O-N 3.36Å; S224-G227 PolarHBondContact OG-N 3.08Å; S224-R228 PolarHBondContact O-N 2.73Å |
| 225 | N | 80.8 | Confident | 79.5 | Confident | 143 Ų | 143 | 97.7 Ų | 97.7 | 77% | 0.765 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -59.1 | -29.1 | 174.2 | -71.4 | -36.9 | 0 | 0 | 0 | 112.1 | L229 | N225-L229 PolarHBondContact O-N 3.18Å |
| 226 | L | 81.1 | Confident | 79.6 | Confident | 114 Ų | 114 | 98.3 Ų | 98.3 | 60% | 0.597 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -72.4 | -43.2 | 176.2 | -179 | 60.2 | 0 | 0 | 0 | 111.8 | S224 R228 L229 I230 | S224-L226 PolarHBondContact O-N 3.11Å; S224-L226 PolarHBondContact OG-N 3.43Å; L226-R228 VanDerWaalsContact C-N 3.29Å; L226-R228 PolarHBondContact O-N 2.92Å; L226-L229 PolarHBondContact O-N 3.34Å; L226-L229 VanDerWaalsContact O-N 3.07Å; L226-I230 HydrophobicContact CD1-CD1 4.16Å; L226-I230 HydrophobicContact CD1-CG1 4.33Å; L226-I230 HydrophobicContact CG-CD1 3.92Å; L226-I230 WeakPolarHBondContact O-CG1 3.28Å; L226-I230 PolarHBondContact O-N 3.28Å |
| 227 | G | 83.4 | Confident | 79.3 | Confident | 2 Ų | 2 | 99.4 Ų | 99.4 | 2% | 0.021 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -58.1 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S224 L229 I230 L231 | S224-G227 PolarHBondContact O-N 3.36Å; S224-G227 PolarHBondContact OG-N 3.08Å; G227-L229 VanDerWaalsContact C-N 3.32Å; G227-L229 PolarHBondContact O-N 3.42Å; G227-I230 PolarHBondContact O-N 3.26Å; G227-L231 VanDerWaalsContact O-CB 3.29Å; G227-L231 WeakPolarHBondContact O-CB 3.49Å; G227-L231 PolarHBondContact O-N 2.96Å |
| 228 | R | 80.6 | Confident | 78.2 | Confident | 167 Ų | 167 | 97.5 Ų | 97.5 | 63% | 0.63 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.4 | -37.5 | 174.3 | -65 | -176.5 | -164.4 | -145.2 | 3.4 | 113.3 | S224 L226 K232 | S224-R228 PolarHBondContact O-N 2.73Å; L226-R228 VanDerWaalsContact C-N 3.29Å; L226-R228 PolarHBondContact O-N 2.92Å; R228-K232 VanDerWaalsContact O-CB 3.31Å; R228-K232 WeakPolarHBondContact O-CB 3.49Å; R228-K232 PolarHBondContact O-N 3.15Å |
| 229 | L | 84.3 | Confident | 77 | Confident | 108 Ų | 108 | 95.8 Ų | 95.8 | 57% | 0.565 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -70.6 | -41.9 | -179.6 | -167.1 | 141.6 | 0 | 0 | 0 | 110.9 | N225 L226 G227 K232 E233 | N225-L229 PolarHBondContact O-N 3.18Å; L226-L229 PolarHBondContact O-N 3.34Å; L226-L229 VanDerWaalsContact O-N 3.07Å; G227-L229 VanDerWaalsContact C-N 3.32Å; G227-L229 PolarHBondContact O-N 3.42Å; L229-K232 PolarHBondContact O-N 3.22Å; L229-E233 WeakPolarHBondContact O-CB 3.43Å; L229-E233 PolarHBondContact O-N 2.84Å |
| 230 | I | 83.9 | Confident | 75.6 | Confident | 63 Ų | 63 | 99.5 Ų | 99.5 | 32% | 0.323 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64 | -49 | 175.6 | -65.1 | 166.2 | 0 | 0 | 0 | 110.5 | L219 L226 G227 K232 E233 E234 | L219-I230 HydrophobicContact CD1-CG2 4.19Å; L219-I230 HydrophobicContact CD2-CG2 4.23Å; L226-I230 HydrophobicContact CD1-CD1 4.16Å; L226-I230 HydrophobicContact CD1-CG1 4.33Å; L226-I230 HydrophobicContact CG-CD1 3.92Å; L226-I230 WeakPolarHBondContact O-CG1 3.28Å; L226-I230 PolarHBondContact O-N 3.28Å; G227-I230 PolarHBondContact O-N 3.26Å; I230-K232 VanDerWaalsContact C-N 3.26Å; I230-K232 PolarHBondContact O-N 3.06Å; I230-E233 WeakPolarHBondContact O-CB 3.48Å; I230-E233 PolarHBondContact O-N 2.73Å; I230-E234 WeakPolarHBondContact O-CB 3.35Å; I230-E234 PolarHBondContact O-N 3.27Å |
| 231 | L | 81.2 | Confident | 74.6 | Confident | 27 Ų | 27 | 99.2 Ų | 99.2 | 14% | 0.141 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -56.6 | -40.8 | 177.3 | -173.8 | 65.8 | 0 | 0 | 0 | 111.9 | E216 L219 G227 K235 | E216-L231 HydrophobicContact CG-CD1 3.57Å; L219-L231 HydrophobicContact CB-CD1 4.05Å; G227-L231 VanDerWaalsContact O-CB 3.29Å; G227-L231 WeakPolarHBondContact O-CB 3.49Å; G227-L231 PolarHBondContact O-N 2.96Å; L231-K235 VanDerWaalsContact O-CG 3.28Å; L231-K235 WeakPolarHBondContact O-CG 3.37Å; L231-K235 PolarHBondContact O-N 2.83Å |
| 232 | K | 83.9 | Confident | 72.9 | Confident | 152 Ų | 152 | 102.5 Ų | 102.5 | 66% | 0.661 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.1 | -43.6 | 175.3 | -176 | -178.9 | 177.7 | -175.1 | 0 | 112 | R228 L229 I230 E236 | R228-K232 VanDerWaalsContact O-CB 3.31Å; R228-K232 WeakPolarHBondContact O-CB 3.49Å; R228-K232 PolarHBondContact O-N 3.15Å; L229-K232 PolarHBondContact O-N 3.22Å; I230-K232 VanDerWaalsContact C-N 3.26Å; I230-K232 PolarHBondContact O-N 3.06Å; K232-E236 WeakPolarHBondContact O-CB 3.32Å; K232-E236 PolarHBondContact O-N 3.31Å; K232-E236 VanDerWaalsContact O-N 3.15Å |
| 233 | E | 83.3 | Confident | 71.8 | Confident | 86 Ų | 86 | 107 Ų | 107 | 40% | 0.402 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | -179.9 | -153.9 | -163.1 | 166 | 0 | 0 | 111.7 | L229 I230 E236 K237 | L229-E233 WeakPolarHBondContact O-CB 3.43Å; L229-E233 PolarHBondContact O-N 2.84Å; I230-E233 WeakPolarHBondContact O-CB 3.48Å; I230-E233 PolarHBondContact O-N 2.73Å; E233-E236 PolarHBondContact O-N 3.37Å; E233-K237 HydrophobicContact CG-CD 4.31Å; E233-K237 WeakPolarHBondContact O-CB 3.45Å; E233-K237 WeakPolarHBondContact O-CD 3.39Å; E233-K237 WeakPolarHBondContact O-CG 3.48Å; E233-K237 PolarHBondContact O-N 2.86Å; E233-K237 WeakPolarHBondContact OE1-CE 3.23Å; E233-K237 IonicContact OE1-NZ 2.72Å; E233-K237 PolarHBondContact OE1-NZ 2.76Å; E233-K237 IonicContact OE2-NZ 3.22Å; E233-K237 PolarHBondContact OE2-NZ 2.91Å; E233-K237 VanDerWaalsContact OE2-NZ 3.08Å |
| 234 | E | 81.5 | Confident | 70.4 | Confident | 66 Ų | 66 | 106.6 Ų | 106.6 | 31% | 0.308 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -45.5 | 178.8 | -173.5 | 159.2 | -151.4 | 0 | 0 | 112 | Q215 L219 I230 E236 K237 S238 | Q215-E234 PolarHBondContact NE2-OE1 3.41Å; Q215-E234 PolarHBondContact NE2-OE2 3.09Å; L219-E234 WeakPolarHBondContact CD1-OE2 3.31Å; I230-E234 WeakPolarHBondContact O-CB 3.35Å; I230-E234 PolarHBondContact O-N 3.27Å; E234-E236 PolarHBondContact O-N 2.82Å; E234-K237 PolarHBondContact O-N 3.48Å; E234-S238 PolarHBondContact O-N 2.73Å |
| 235 | K | 75.9 | Confident | 68.9 | Low | 99 Ų | 99 | 110.3 Ų | 110.3 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61 | -29.3 | 173.1 | -70.1 | -179.7 | 174.3 | -172.5 | 0 | 113.3 | E216 L231 S238 | E216-K235 WeakPolarHBondContact OE1-CE 3.45Å; E216-K235 IonicContact OE1-NZ 3.33Å; E216-K235 PolarHBondContact OE1-NZ 3.32Å; E216-K235 IonicContact OE2-NZ 2.63Å; L231-K235 VanDerWaalsContact O-CG 3.28Å; L231-K235 WeakPolarHBondContact O-CG 3.37Å; L231-K235 PolarHBondContact O-N 2.83Å; K235-S238 PolarHBondContact O-OG 2.84Å |
| 236 | E | 71.1 | Confident | 67.2 | Low | 105 Ų | 105 | 112.5 Ų | 112.5 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -82.6 | -31.2 | 177.1 | -171.3 | 175.1 | 171.8 | 0 | 0 | 112.6 | K232 E233 E234 H240 | K232-E236 WeakPolarHBondContact O-CB 3.32Å; K232-E236 PolarHBondContact O-N 3.31Å; K232-E236 VanDerWaalsContact O-N 3.15Å; E233-E236 PolarHBondContact O-N 3.37Å; E234-E236 PolarHBondContact O-N 2.82Å; E236-H240 PolarHBondContact O-ND1 3Å |
| 237 | K | 68.6 | Low | 65.2 | Low | 97 Ų | 97 | 112.6 Ų | 112.6 | 42% | 0.422 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.3 | -38.3 | -178.5 | -80.4 | 165.1 | 177.4 | 168.3 | 0 | 113.4 | E233 E234 I239 H240 I241 | E233-K237 HydrophobicContact CG-CD 4.31Å; E233-K237 WeakPolarHBondContact O-CB 3.45Å; E233-K237 WeakPolarHBondContact O-CD 3.39Å; E233-K237 WeakPolarHBondContact O-CG 3.48Å; E233-K237 PolarHBondContact O-N 2.86Å; E233-K237 WeakPolarHBondContact OE1-CE 3.23Å; E233-K237 IonicContact OE1-NZ 2.72Å; E233-K237 PolarHBondContact OE1-NZ 2.76Å; E233-K237 IonicContact OE2-NZ 3.22Å; E233-K237 PolarHBondContact OE2-NZ 2.91Å; E233-K237 VanDerWaalsContact OE2-NZ 3.08Å; E234-K237 PolarHBondContact O-N 3.48Å; K237-I239 PolarHBondContact O-N 3.35Å; K237-H240 PolarHBondContact O-N 3.34Å; K237-H240 VanDerWaalsContact O-N 3.11Å; K237-I241 WeakPolarHBondContact O-CG1 3.26Å; K237-I241 PolarHBondContact O-N 2.77Å |
| 238 | S | 56.9 | Low | 63.3 | Low | 65 Ų | 65 | 120.7 Ų | 120.7 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.2 | -32.4 | 179.9 | 62.9 | 0 | 0 | 0 | 0 | 112.9 | E234 K235 H240 | E234-S238 PolarHBondContact O-N 2.73Å; K235-S238 PolarHBondContact O-OG 2.84Å; S238-H240 VanDerWaalsContact C-N 3.31Å; S238-H240 PolarHBondContact O-N 3.48Å |
| 239 | I | 53 | Low | 61.8 | Low | 91 Ų | 91 | 118.6 Ų | 118.6 | 47% | 0.467 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.8 | -29.8 | 178.4 | -59.7 | 172 | 0 | 0 | 0 | 112 | K237 R243 | K237-I239 PolarHBondContact O-N 3.35Å; I239-R243 VanDerWaalsContact CG2-NH2 3.31Å; I239-R243 PolarHBondContact O-NH1 2.9Å |
| 240 | H | 45.7 | Very low | 59.7 | Low | 105 Ų | 105 | 120.3 Ų | 120.3 | 49% | 0.486 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -93.8 | -20.9 | -173.9 | -68.4 | 87.6 | 0 | 0 | 0 | 113.8 | E236 K237 S238 | E236-H240 PolarHBondContact O-ND1 3Å; K237-H240 PolarHBondContact O-N 3.34Å; K237-H240 VanDerWaalsContact O-N 3.11Å; S238-H240 VanDerWaalsContact C-N 3.31Å; S238-H240 PolarHBondContact O-N 3.48Å |
| 241 | I | 53.4 | Low | 57.5 | Low | 125 Ų | 125 | 128.8 Ų | 128.8 | 64% | 0.641 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -81.3 | -37.3 | 179.3 | -68.2 | 163.7 | 0 | 0 | 0 | 111.1 | K237 R243 K244 | K237-I241 WeakPolarHBondContact O-CG1 3.26Å; K237-I241 PolarHBondContact O-N 2.77Å; I241-R243 VanDerWaalsContact C-N 3.26Å; I241-R243 PolarHBondContact O-N 2.99Å; I241-R243 VanDerWaalsContact O-N 3.15Å; I241-K244 PolarHBondContact O-N 3.41Å |
| 242 | R | 49.6 | Very low | 55.6 | Low | 218 Ų | 218 | 133 Ų | 133 | 82% | 0.823 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -13.9 | -176.9 | -79.8 | -166.4 | 167.3 | -159.5 | -0.9 | 116 | ||
| 243 | R | 53.8 | Low | 53.1 | Low | 175 Ų | 175 | 133.2 Ų | 133.2 | 66% | 0.66 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 4.7 | -179 | -60.6 | -166.9 | -154.5 | 95.1 | 0.3 | 114.9 | I239 I241 | I239-R243 VanDerWaalsContact CG2-NH2 3.31Å; I239-R243 PolarHBondContact O-NH1 2.9Å; I241-R243 VanDerWaalsContact C-N 3.26Å; I241-R243 PolarHBondContact O-N 2.99Å; I241-R243 VanDerWaalsContact O-N 3.15Å |
| 244 | K | 45.2 | Very low | 50.6 | Low | 182 Ų | 182 | 135.8 Ų | 135.8 | 79% | 0.791 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -118.7 | 33.3 | -171.6 | -90.4 | 173.7 | 173.2 | 173.2 | 0 | 114.5 | I241 | I241-K244 PolarHBondContact O-N 3.41Š|
| 245 | T | 49.2 | Very low | 48.5 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 78% | 0.779 | 69% | 0.689 | S | S | * | * | trans | -146.6 | 55.8 | 171.3 | 52.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 246 | Q | 45.8 | Very low | 46.3 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 88% | 0.879 | 71% | 0.705 | S | S | * | * | trans | -148.4 | 82.6 | 169.6 | -146.5 | 176 | 18 | 0 | 0 | 111.4 | ||||
| 247 | S | 39.3 | Very low | 44.5 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 81% | 0.811 | 72% | 0.718 | S | S | * | * | trans | 171.2 | 94.5 | 147.1 | 38.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 248 | L | 42.4 | Very low | 43 | Very low | 173 Ų | 173 | 144 Ų | 144 | 91% | 0.906 | 74% | 0.739 | S | S | * | * | trans | -116.9 | 122.2 | 152.2 | -75.1 | 175 | 0 | 0 | 0 | 106.4 | ||||
| 249 | P | 50.5 | Low | 42 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | trans | -85 | 116.2 | 156.8 | 30.5 | -22.4 | 0 | 0 | 0 | 108 | ||||
| 250 | D | 40.5 | Very low | 41 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -57.1 | 130.4 | 160.8 | -161.9 | 4.5 | 0 | 0 | 0 | 109.6 | ||||
| 251 | R | 37.7 | Very low | 40.4 | Very low | 242 Ų | 242 | 147.9 Ų | 147.9 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | trans | -157 | 86.4 | 168.5 | -128.4 | 175.6 | 164.9 | 151.5 | -1.3 | 111.6 | ||||
| 252 | T | 39.6 | Very low | 39.5 | Very low | 116 Ų | 116 | 146.8 Ų | 146.8 | 71% | 0.712 | 80% | 0.801 | S | S | * | * | trans | -67.8 | 155.5 | 158.4 | 48.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 253 | H | 32.7 | Very low | 38.8 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 72% | 0.718 | 80% | 0.798 | S | S | * | * | trans | 73.4 | 99.7 | 153.9 | -148.9 | -119.7 | 0 | 0 | 0 | 118.5 | ||||
| 254 | M | 30.9 | Very low | 38 | Very low | 140 Ų | 140 | 143 Ų | 143 | 69% | 0.69 | 81% | 0.809 | S | S | * | * | -171.5 | 128 | 104.8 | -75.5 | -62.2 | 10.4 | 0 | 0 | 110.8 | |||||
| 255 | H | 35.8 | Very low | 37.4 | Very low | 179 Ų | 179 | 139.7 Ų | 139.7 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | trans | -63.5 | 131.4 | 158.2 | -69 | -99.8 | 0 | 0 | 0 | 109.4 | ||||
| 256 | S | 30.5 | Very low | 37.4 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -143.2 | 101.5 | 152.1 | 57 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 257 | S | 34.3 | Very low | 36.9 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -68.7 | 122.8 | 162.1 | 50 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 258 | V | 36.2 | Very low | 37.1 | Very low | 142 Ų | 142 | 142.1 Ų | 142.1 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -139.3 | 103.5 | 150.8 | -79.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 259 | S | 36.3 | Very low | 37 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -72.6 | 129 | 161.1 | 28.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 260 | A | 31.8 | Very low | 36.2 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -155.2 | 121.2 | 154 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 261 | S | 32.6 | Very low | 36.3 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -58.1 | 144.4 | 174.5 | 51 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 262 | A | 33.9 | Very low | 36.7 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -166.7 | 116.4 | 136.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 263 | S | 35.5 | Very low | 36.7 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | -76.3 | 149.3 | 169.4 | 27.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 264 | K | 36.5 | Very low | 36.9 | Very low | 205 Ų | 205 | 140.4 Ų | 140.4 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | 168.3 | 117 | 129.2 | -91.2 | 161.9 | -177.1 | 179.8 | 0 | 112.2 | |||||
| 265 | S | 34.1 | Very low | 37.1 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | trans | -72.2 | 166.7 | 155.8 | -50.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 266 | P | 48 | Very low | 37 | Very low | 126 Ų | 126 | 139 Ų | 139 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | -135.7 | 137.9 | 123.7 | 33.3 | -20.2 | 0 | 0 | 0 | 113.8 | |||||
| 267 | S | 35.6 | Very low | 37.2 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | trans | -55.4 | 140.7 | 166.1 | -62.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 268 | R | 44.7 | Very low | 37.1 | Very low | 242 Ų | 242 | 142.3 Ų | 142.3 | 91% | 0.913 | 84% | 0.836 | S | S | * | * | trans | -138.1 | 107.4 | 146.7 | -71.7 | -169 | 71.1 | -173 | 0.6 | 110.7 | ||||
| 269 | S | 38.5 | Very low | 37.1 | Very low | 116 Ų | 116 | 145 Ų | 145 | 81% | 0.811 | 84% | 0.836 | S | S | * | * | trans | -61.6 | 130.6 | 155.9 | 44.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 270 | A | 34.8 | Very low | 37 | Very low | 91 Ų | 91 | 145 Ų | 145 | 75% | 0.752 | 84% | 0.836 | S | S | * | * | trans | -168.6 | 111.9 | 146.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 271 | L | 42.2 | Very low | 37.5 | Very low | 182 Ų | 182 | 146.1 Ų | 146.1 | 95% | 0.953 | 83% | 0.833 | S | S | * | * | trans | -66.8 | 125.9 | 163.5 | -71.8 | 157.2 | 0 | 0 | 0 | 108.8 | ||||
| 272 | T | 46.9 | Very low | 37.6 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 79% | 0.785 | 84% | 0.838 | S | S | * | * | trans | -120.1 | 105.7 | 163.9 | 48.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 273 | R | 38.9 | Very low | 37.9 | Very low | 219 Ų | 219 | 147.3 Ų | 147.3 | 83% | 0.826 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 118.7 | 161.6 | 169.3 | -178.8 | -73.4 | 166.9 | -4.6 | 110.3 | ||
| 274 | M | 37.1 | Very low | 37.9 | Very low | 181 Ų | 181 | 149.3 Ų | 149.3 | 89% | 0.892 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 126 | 168.2 | -68.3 | -140.7 | 73 | 0 | 0 | 109.6 | ||
| 275 | Q | 36.1 | Very low | 38.2 | Very low | 170 Ų | 170 | 148.8 Ų | 148.8 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 136 | 170.9 | -75.5 | 178.8 | -31.4 | 0 | 0 | 109.4 | ||
| 276 | S | 32.9 | Very low | 38 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 142.6 | 177.1 | -46.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 277 | A | 34.5 | Very low | 37.6 | Very low | 104 Ų | 104 | 153 Ų | 153 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 124.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 278 | E | 32 | Very low | 38.1 | Very low | 187 Ų | 187 | 153.3 Ų | 153.3 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 153.1 | 172.2 | -64.9 | -178.6 | 158.6 | 0 | 0 | 110.8 | ||
| 279 | F | 35.6 | Very low | 37.4 | Very low | 198 Ų | 198 | 146.5 Ų | 146.5 | 87% | 0.868 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 150.3 | -177 | -85 | -107.2 | 0 | 0 | 0 | 113.2 | ||
| 280 | S | 34.8 | Very low | 37.1 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | trans | -134 | 116.9 | 156.2 | -77.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 281 | T | 42.4 | Very low | 37.2 | Very low | 126 Ų | 126 | 149 Ų | 149 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | trans | -93.5 | 122.3 | 164.8 | 51.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 282 | D | 35.9 | Very low | 36.7 | Very low | 173 Ų | 173 | 147.3 Ų | 147.3 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | trans | -140.9 | 124.5 | 159.2 | -104.5 | -31.1 | 0 | 0 | 0 | 108.7 | ||||
| 283 | G | 40 | Very low | 36.3 | Very low | 72 Ų | 72 | 144.7 Ų | 144.7 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | trans | -138.7 | 126.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 284 | D | 33.7 | Very low | 36.1 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | -161.5 | 162.8 | 145.3 | -154.9 | 15.9 | 0 | 0 | 0 | 111.7 | ||||
| 285 | K | 43.8 | Very low | 36.5 | Very low | 195 Ų | 195 | 140.7 Ų | 140.7 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | trans | -76.6 | 165.8 | -148.6 | -67.8 | 157.6 | -179.7 | 175 | 0 | 119.2 | ||||
| 286 | G | 30.9 | Very low | 36.9 | Very low | 80 Ų | 80 | 143.8 Ų | 143.8 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | 162.1 | 107.5 | 144.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 287 | R | 37.7 | Very low | 37.7 | Very low | 247 Ų | 247 | 149.9 Ų | 149.9 | 93% | 0.932 | 84% | 0.835 | S | S | * | * | trans | -90.8 | 161.2 | 165.7 | -90.3 | -176.2 | -175.1 | -108.6 | 2.6 | 109.3 | ||||
| 288 | P | 47.1 | Very low | 38.1 | Very low | 120 Ų | 120 | 152 Ų | 152 | 78% | 0.779 | 83% | 0.832 | S | S | * | * | -155 | 168.8 | 62.7 | 39.4 | -16.8 | 0 | 0 | 0 | 119.6 | |||||
| 289 | A | 29.4 | Very low | 38.6 | Very low | 100 Ų | 100 | 154.4 Ų | 154.4 | 83% | 0.826 | 83% | 0.833 | S | S | * | * | trans | 54.6 | 141.4 | 153 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 290 | A | 33.7 | Very low | 39.5 | Very low | 86 Ų | 86 | 150.8 Ų | 150.8 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | cis | -165.9 | 169.9 | 25.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 291 | Q | 35.6 | Very low | 40.3 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 94.3 | 117.6 | 152.9 | -59.6 | -175.5 | 10.7 | 0 | 0 | 121.4 | ||||
| 292 | N | 32.1 | Very low | 41.1 | Very low | 147 Ų | 147 | 154.5 Ų | 154.5 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | 74.5 | 100.2 | 138.7 | -65.3 | -14.6 | 0 | 0 | 0 | 121 | ||||
| 293 | G | 37.7 | Very low | 42 | Very low | 73 Ų | 73 | 149.1 Ų | 149.1 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | 25.9 | 114 | 130.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 294 | E | 35 | Very low | 42.8 | Very low | 189 Ų | 189 | 151.8 Ų | 151.8 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | -167.9 | 123.2 | 111.1 | -105.6 | 173.1 | -177 | 0 | 0 | 109.6 | R296 | E294-R296 VanDerWaalsContact C-N 3.32Å; E294-R296 PolarHBondContact O-N 2.86Å | |||
| 295 | S | 46.5 | Very low | 43.8 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -65.9 | 86.9 | 169.2 | 40.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 296 | R | 43 | Very low | 44.2 | Very low | 235 Ų | 235 | 147.5 Ų | 147.5 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | -98.1 | 130.6 | 157.6 | -116 | -174.4 | -178.9 | -135.7 | 2.8 | 109.3 | E294 D298 | E294-R296 VanDerWaalsContact C-N 3.32Å; E294-R296 PolarHBondContact O-N 2.86Å; R296-D298 VanDerWaalsContact C-N 3.25Å; R296-D298 PolarHBondContact O-N 3.44Å | ||
| 297 | R | 49.8 | Very low | 44.9 | Very low | 246 Ų | 246 | 147.9 Ų | 147.9 | 93% | 0.928 | 77% | 0.774 | S | S | * | * | trans | -62.4 | 74.8 | -175.1 | -61.5 | 169.6 | 172.5 | 175.6 | -3.7 | 111.4 | R299 | R297-R299 PolarHBondContact O-N 2.76Š| ||
| 298 | D | 42.8 | Very low | 45.7 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | -81.1 | 67 | 161.3 | -92.8 | -14.7 | 0 | 0 | 0 | 109 | R296 M300 | R296-D298 VanDerWaalsContact C-N 3.25Å; R296-D298 PolarHBondContact O-N 3.44Å; D298-M300 PolarHBondContact O-N 2.77Å | ||
| 299 | R | 44.2 | Very low | 45.9 | Very low | 237 Ų | 237 | 142.4 Ų | 142.4 | 89% | 0.894 | 76% | 0.761 | S | S | * | * | trans | -68 | 89.6 | 154.6 | -155.2 | -178.5 | -160 | 161.5 | 3.9 | 103.8 | R297 D301 | R297-R299 PolarHBondContact O-N 2.76Å; R299-D301 PolarHBondContact O-N 2.88Å | ||
| 300 | M | 54.3 | Low | 47.2 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 60% | 0.601 | 75% | 0.749 | S | S | * | * | trans | -41 | 114.3 | -177.5 | -61.5 | 161.8 | 178.1 | 0 | 0 | 108.3 | D298 R302 | D298-M300 PolarHBondContact O-N 2.77Å; M300-R302 HydrophobicContact CB-CG 3.91Å; M300-R302 PolarHBondContact O-N 2.92Å; M300-R302 PolarHBondContact SD-NH1 3.29Å; M300-R302 PolarHBondContact SD-NH2 3.05Å | ||
| 301 | D | 51.8 | Low | 48.4 | Very low | 115 Ų | 115 | 146 Ų | 146 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | trans | -69.3 | 63.4 | 174.4 | -169.9 | 27.6 | 0 | 0 | 0 | 108.4 | R299 G303 | R299-D301 PolarHBondContact O-N 2.88Å; D301-G303 PolarHBondContact O-N 3.4Å | ||
| 302 | R | 57.5 | Low | 50.3 | Low | 210 Ų | 210 | 139.9 Ų | 139.9 | 79% | 0.792 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 33.7 | 178.3 | -80.8 | -174.2 | 171.2 | 124.6 | 0.4 | 111.2 | M300 | M300-R302 HydrophobicContact CB-CG 3.91Å; M300-R302 PolarHBondContact O-N 2.92Å; M300-R302 PolarHBondContact SD-NH1 3.29Å; M300-R302 PolarHBondContact SD-NH2 3.05Å |
| 303 | G | 56.3 | Low | 52.9 | Low | 60 Ų | 60 | 139.5 Ų | 139.5 | 62% | 0.619 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.1 | -26.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | D301 | D301-G303 PolarHBondContact O-N 3.4Š|
| 304 | N | 56 | Low | 55.5 | Low | 128 Ų | 128 | 141 Ų | 141 | 68% | 0.684 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -116.3 | 7.1 | -163.8 | -71.5 | 13.6 | 0 | 0 | 0 | 115.3 | ||
| 305 | S | 54.9 | Low | 58.2 | Low | 97 Ų | 97 | 133.9 Ų | 133.9 | 68% | 0.678 | 67% | 0.667 | S | S | * | * | trans | -106.6 | 24.3 | -170.3 | 57.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 306 | L | 51 | Low | 60.4 | Low | 158 Ų | 158 | 131 Ų | 131 | 83% | 0.827 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -99.9 | 103.4 | 150.8 | -67.1 | -179.4 | 0 | 0 | 0 | 106.5 | S308 | L306-S308 PolarHBondContact O-N 3.38Š|
| 307 | P | 47.1 | Very low | 62.7 | Low | 88 Ų | 88 | 122.3 Ų | 122.3 | 57% | 0.571 | 61% | 0.612 | S | S | * | * | trans | -50.7 | 124.2 | 159.9 | 23.1 | -30.2 | 0 | 0 | 0 | 104.7 | I309 | P307-I309 PolarHBondContact O-N 2.63Š| ||
| 308 | S | 53.4 | Low | 64.7 | Low | 77 Ų | 77 | 116.9 Ų | 116.9 | 54% | 0.538 | 60% | 0.598 | S | S | . | * | trans | -41.5 | 126.9 | 177.7 | 177.7 | 0 | 0 | 0 | 0 | 106.3 | L306 L310 E311 | L306-S308 PolarHBondContact O-N 3.38Å; S308-L310 CarbonylContact O-C 3.43Å; S308-L310 PolarHBondContact O-N 2.95Å; S308-L310 PolarHBondContact OG-N 3.4Å; S308-E311 WeakPolarHBondContact O-CB 3.17Å; S308-E311 PolarHBondContact O-N 3.24Å | ||
| 309 | I | 51.1 | Low | 66.9 | Low | 175 Ų | 175 | 111.7 Ų | 111.7 | 90% | 0.897 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -0.3 | 176.2 | -161.8 | 158.7 | 0 | 0 | 0 | 111.9 | P307 | P307-I309 PolarHBondContact O-N 2.63Š|
| 310 | L | 57.1 | Low | 69.2 | Low | 109 Ų | 109 | 100.4 Ų | 100.4 | 57% | 0.571 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | 33.6 | 169.1 | -61.7 | 163.8 | 0 | 0 | 0 | 112.2 | S308 Q312 | S308-L310 CarbonylContact O-C 3.43Å; S308-L310 PolarHBondContact O-N 2.95Å; S308-L310 PolarHBondContact OG-N 3.4Å; L310-Q312 PolarHBondContact O-N 3.07Å |
| 311 | E | 60.2 | Low | 70.9 | Confident | 153 Ų | 153 | 96.7 Ų | 96.7 | 72% | 0.715 | 52% | 0.515 | S | S | * | . | trans | -67.7 | 86.6 | 165.1 | -162.5 | 172.4 | -147.8 | 0 | 0 | 106 | S308 K313 | S308-E311 WeakPolarHBondContact O-CB 3.17Å; S308-E311 PolarHBondContact O-N 3.24Å; E311-K313 PolarHBondContact O-N 2.93Å | ||
| 312 | Q | 74.1 | Confident | 72.8 | Confident | 42 Ų | 42 | 93 Ų | 93 | 20% | 0.196 | 50% | 0.497 | C | S | . | . | trans | -66.4 | 113.4 | -175.8 | -76.5 | 169.7 | -56.9 | 0 | 0 | 107 | L310 I314 R341 | L310-Q312 PolarHBondContact O-N 3.07Å; Q312-I314 PolarHBondContact O-N 3.37Å; Q312-I314 VanDerWaalsContact O-N 3.11Å; Q312-R341 VanDerWaalsContact OE1-CB 3.25Å; Q312-R341 PolarHBondContact OE1-O 2.93Å | ||
| 313 | K | 86.7 | Confident | 74 | Confident | 140 Ų | 140 | 86.6 Ų | 86.6 | 61% | 0.609 | 48% | 0.481 | S | S | * | . | trans | -55 | 122.7 | 176.8 | -174.2 | 155.7 | 175.2 | 168.5 | 0 | 108.7 | E311 Y315 H342 | E311-K313 PolarHBondContact O-N 2.93Å; K313-Y315 HydrophobicContact CB-CD2 4.5Å; K313-Y315 HydrophobicContact CB-CE2 3.74Å; K313-Y315 HydrophobicContact CD-CE1 4.41Å; K313-Y315 HydrophobicContact CD-CE2 4.29Å; K313-Y315 WeakPolarHBondContact CD-OH 3.19Å; K313-Y315 HydrophobicContact CG-CD2 4.38Å; K313-Y315 HydrophobicContact CG-CE1 4.27Å; K313-Y315 HydrophobicContact CG-CE2 3.69Å; K313-Y315 WeakPolarHBondContact O-CD2 2.96Å; K313-Y315 WeakPolarHBondContact O-CE2 3.47Å; K313-H342 PolarHBondContact O-ND1 3.5Å | ||
| 314 | I | 91.9 | Very high | 74.6 | Confident | 105 Ų | 105 | 93.3 Ų | 93.3 | 54% | 0.538 | 50% | 0.496 | S | S | . | . | trans | -77.9 | 133.3 | 179.5 | -63.9 | 171.4 | 0 | 0 | 0 | 108.1 | Q312 H342 | Q312-I314 PolarHBondContact O-N 3.37Å; Q312-I314 VanDerWaalsContact O-N 3.11Å; I314-H342 CarbonylContact C-O 3.39Å; I314-H342 VanDerWaalsContact CA-O 3.27Å; I314-H342 WeakPolarHBondContact CA-O 3.32Å | ||
| 315 | Y | 92.1 | Very high | 75.2 | Confident | 38 Ų | 38 | 99.1 Ų | 99.1 | 15% | 0.149 | 51% | 0.508 | C | S | . | . | trans | -130.1 | 146.6 | 177.4 | -67.5 | -79.9 | 0 | 0 | 0 | 109.1 | K313 L320 P331 V334 H342 | K313-Y315 HydrophobicContact CB-CD2 4.5Å; K313-Y315 HydrophobicContact CB-CE2 3.74Å; K313-Y315 HydrophobicContact CD-CE1 4.41Å; K313-Y315 HydrophobicContact CD-CE2 4.29Å; K313-Y315 WeakPolarHBondContact CD-OH 3.19Å; K313-Y315 HydrophobicContact CG-CD2 4.38Å; K313-Y315 HydrophobicContact CG-CE1 4.27Å; K313-Y315 HydrophobicContact CG-CE2 3.69Å; K313-Y315 WeakPolarHBondContact O-CD2 2.96Å; K313-Y315 WeakPolarHBondContact O-CE2 3.47Å; Y315-L320 HydrophobicContact CD2-CD2 4.33Å; Y315-L320 HydrophobicContact CG-CD2 4.38Å; Y315-P331 HydrophobicContact CD1-CB 3.95Å; Y315-P331 HydrophobicContact CD1-CG 3.65Å; Y315-P331 HydrophobicContact CD2-CG 4.45Å; Y315-P331 HydrophobicContact CE1-CB 3.45Å; Y315-P331 VanDerWaalsContact CE1-CB 3.45Å; Y315-P331 HydrophobicContact CE1-CG 3.7Å; Y315-P331 HydrophobicContact CE2-CB 4.11Å; Y315-P331 HydrophobicContact CE2-CG 4.5Å; Y315-P331 HydrophobicContact CG-CB 4.47Å; Y315-P331 HydrophobicContact CG-CG 4.03Å; Y315-V334 HydrophobicContact CD2-CG2 3.55Å; Y315-V334 HydrophobicContact CE2-CG2 3.21Å; Y315-V334 HydrophobicContact CG-CG2 4.49Å; Y315-H342 HydrophobicContact CD2-CB 4.3Å; Y315-H342 PolarHBondContact N-O 3.08Å | ||
| 316 | P | 93.4 | Very high | 75.3 | Confident | 66 Ų | 66 | 96.8 Ų | 96.8 | 43% | 0.429 | 50% | 0.499 | S | S | . | . | trans | -62.4 | 149.3 | 176.8 | 28.5 | -35.5 | 0 | 0 | 0 | 110.5 | E318 A319 E347 | P316-E318 VanDerWaalsContact C-N 3.25Å; P316-E318 PolarHBondContact O-N 3.45Å; P316-A319 HydrophobicContact CG-CB 4Å; P316-A319 PolarHBondContact O-N 3.05Å; P316-E347 VanDerWaalsContact CA-OE1 3.27Å; P316-E347 WeakPolarHBondContact CA-OE1 3.44Å | ||
| 317 | Y | 91.9 | Very high | 75.8 | Confident | 54 Ų | 54 | 99.8 Ų | 99.8 | 21% | 0.212 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -51 | -45.2 | -175.7 | 169 | -117.9 | 0 | 0 | 0 | 112.3 | A319 L320 I321 L343 E347 V351 A374 L376 | Y317-A319 PolarHBondContact O-N 3.46Å; Y317-L320 WeakPolarHBondContact O-CA 3.48Å; Y317-L320 WeakPolarHBondContact O-CB 3.38Å; Y317-L320 PolarHBondContact O-N 2.91Å; Y317-I321 HydrophobicContact CD1-CD1 3.88Å; Y317-I321 HydrophobicContact CD1-CG1 4.17Å; Y317-I321 HydrophobicContact CD2-CG1 4.14Å; Y317-I321 HydrophobicContact CE1-CD1 3.46Å; Y317-I321 VanDerWaalsContact CE1-CD1 3.46Å; Y317-I321 HydrophobicContact CE1-CG1 3.87Å; Y317-I321 HydrophobicContact CE2-CD1 4.36Å; Y317-I321 HydrophobicContact CE2-CG1 3.83Å; Y317-I321 HydrophobicContact CG-CD1 4.49Å; Y317-I321 HydrophobicContact CG-CG1 4.3Å; Y317-I321 VanDerWaalsContact O-CG1 3.3Å; Y317-I321 WeakPolarHBondContact O-CG1 3.45Å; Y317-I321 PolarHBondContact O-N 3.47Å; Y317-I321 VanDerWaalsContact O-N 3.09Å; Y317-L343 HydrophobicContact CD2-CD2 4.13Å; Y317-L343 HydrophobicContact CG-CD2 4.47Å; Y317-E347 PolarHBondContact N-OE1 3.29Å; Y317-V351 HydrophobicContact CD1-CG2 4.36Å; Y317-V351 HydrophobicContact CD2-CG2 3.84Å; Y317-V351 HydrophobicContact CE2-CG1 4.14Å; Y317-V351 HydrophobicContact CE2-CG2 4.04Å; Y317-V351 HydrophobicContact CG-CG2 4.01Å; Y317-A374 WeakPolarHBondContact CE2-O 3.44Å; Y317-A374 PolarHBondContact OH-O 3.16Å; Y317-L376 HydrophobicContact CD2-CD1 4.27Å; Y317-L376 HydrophobicContact CD2-CD2 4.25Å; Y317-L376 HydrophobicContact CE2-CD1 4.12Å; Y317-L376 HydrophobicContact CE2-CD2 4.13Å; Y317-L376 HydrophobicContact CE2-CG 4.1Å |
| 318 | E | 90.1 | Very high | 76.7 | Confident | 132 Ų | 132 | 97.8 Ų | 97.8 | 62% | 0.617 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.2 | -31.7 | -176.5 | -57.2 | 76.9 | -167.2 | 0 | 0 | 113.2 | P316 L320 | P316-E318 VanDerWaalsContact C-N 3.25Å; P316-E318 PolarHBondContact O-N 3.45Å; E318-L320 VanDerWaalsContact C-N 3.29Å |
| 319 | A | 90.6 | Very high | 77.9 | Confident | 40 Ų | 40 | 102.1 Ų | 102.1 | 33% | 0.331 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -76.9 | -19.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P316 Y317 P331 | P316-A319 HydrophobicContact CG-CB 4Å; P316-A319 PolarHBondContact O-N 3.05Å; Y317-A319 PolarHBondContact O-N 3.46Å; A319-P331 HydrophobicContact CB-CG 4.46Å |
| 320 | L | 91.5 | Very high | 79.6 | Confident | 0 Ų | 0 | 95.3 Ų | 95.3 | 0% | 0 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -97.8 | -14.9 | -179.8 | -61.3 | 176 | 0 | 0 | 0 | 113 | Y315 Y317 E318 V322 L330 V334 L339 H342 L343 L376 | Y315-L320 HydrophobicContact CD2-CD2 4.33Å; Y315-L320 HydrophobicContact CG-CD2 4.38Å; Y317-L320 WeakPolarHBondContact O-CA 3.48Å; Y317-L320 WeakPolarHBondContact O-CB 3.38Å; Y317-L320 PolarHBondContact O-N 2.91Å; E318-L320 VanDerWaalsContact C-N 3.29Å; L320-V322 PolarHBondContact O-N 3.45Å; L320-L330 WeakPolarHBondContact O-CD2 3.11Å; L320-V334 HydrophobicContact CD2-CG1 3.81Å; L320-V334 HydrophobicContact CD2-CG2 4.29Å; L320-L339 HydrophobicContact CD2-CD2 4.07Å; L320-H342 HydrophobicContact CD1-CB 3.68Å; L320-H342 HydrophobicContact CD2-CB 4.04Å; L320-L343 HydrophobicContact CD1-CD2 3.74Å; L320-L343 HydrophobicContact CD1-CG 4.01Å; L320-L376 HydrophobicContact CB-CD2 3.77Å; L320-L376 WeakPolarHBondContact O-CD2 3.32Å |
| 321 | I | 91.1 | Very high | 81 | Confident | 43 Ų | 43 | 91.3 Ų | 91.3 | 22% | 0.221 | 44% | 0.442 | C | S | . | . | trans | -59 | 126.5 | 179.1 | -58.3 | 178.1 | 0 | 0 | 0 | 110.8 | Y317 T323 | Y317-I321 HydrophobicContact CD1-CD1 3.88Å; Y317-I321 HydrophobicContact CD1-CG1 4.17Å; Y317-I321 HydrophobicContact CD2-CG1 4.14Å; Y317-I321 HydrophobicContact CE1-CD1 3.46Å; Y317-I321 VanDerWaalsContact CE1-CD1 3.46Å; Y317-I321 HydrophobicContact CE1-CG1 3.87Å; Y317-I321 HydrophobicContact CE2-CD1 4.36Å; Y317-I321 HydrophobicContact CE2-CG1 3.83Å; Y317-I321 HydrophobicContact CG-CD1 4.49Å; Y317-I321 HydrophobicContact CG-CG1 4.3Å; Y317-I321 VanDerWaalsContact O-CG1 3.3Å; Y317-I321 WeakPolarHBondContact O-CG1 3.45Å; Y317-I321 PolarHBondContact O-N 3.47Å; Y317-I321 VanDerWaalsContact O-N 3.09Å; I321-T323 HydrophobicContact CG2-CG2 3.48Å; I321-T323 VanDerWaalsContact CG2-CG2 3.48Å | ||
| 322 | V | 89.9 | Confident | 82 | Confident | 39 Ų | 39 | 89.8 Ų | 89.8 | 24% | 0.236 | 45% | 0.445 | C | S | . | . | trans | -97.4 | 92 | 172.9 | -174.3 | 0 | 0 | 0 | 0 | 108.6 | L320 L330 L339 S375 | L320-V322 PolarHBondContact O-N 3.45Å; V322-L330 HydrophobicContact CG2-CD1 4.43Å; V322-L330 HydrophobicContact CG2-CD2 4.48Å; V322-L339 HydrophobicContact CG2-CD1 3.39Å; V322-S375 PolarHBondContact N-O 3.42Å | ||
| 323 | T | 83.2 | Confident | 82.4 | Confident | 74 Ų | 74 | 91.6 Ų | 91.6 | 45% | 0.454 | 48% | 0.476 | S | S | . | . | trans | -92.8 | 140.5 | 173.7 | 64.1 | 0 | 0 | 0 | 0 | 111.8 | I321 R325 C328 | I321-T323 HydrophobicContact CG2-CG2 3.48Å; I321-T323 VanDerWaalsContact CG2-CG2 3.48Å; T323-R325 PolarHBondContact O-N 3.38Å; T323-R325 VanDerWaalsContact O-N 3.12Å; T323-C328 PolarHBondContact N-SG 2.97Å; T323-C328 VanDerWaalsContact N-SG 3.38Å; T323-C328 PolarHBondContact O-SG 3.31Å | ||
| 324 | H | 69.8 | Low | 82.6 | Confident | 202 Ų | 202 | 85.7 Ų | 85.7 | 94% | 0.935 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -4.3 | 175.9 | -71.4 | -75.4 | 0 | 0 | 0 | 114.2 | ||
| 325 | R | 68.1 | Low | 82.4 | Confident | 249 Ų | 249 | 83.7 Ų | 83.7 | 94% | 0.94 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -0.3 | -168.3 | -93.3 | -173.7 | 153.9 | -157 | -6.1 | 115.5 | T323 | T323-R325 PolarHBondContact O-N 3.38Å; T323-R325 VanDerWaalsContact O-N 3.12Å |
| 326 | G | 56.7 | Low | 82.2 | Confident | 48 Ų | 48 | 90.4 Ų | 90.4 | 50% | 0.495 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -178 | 167.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | C328 | G326-C328 PolarHBondContact O-N 3.34Š|
| 327 | R | 61.4 | Low | 81.9 | Confident | 221 Ų | 221 | 91.9 Ų | 91.9 | 83% | 0.834 | 48% | 0.475 | S | S | * | . | trans | -55.9 | 99 | 179 | -64.1 | 179 | 179.5 | 169.9 | -2.1 | 109.3 | K329 | R327-K329 WeakPolarHBondContact O-CG 3.36Å; R327-K329 PolarHBondContact O-N 3.03Å | ||
| 328 | C | 66.7 | Low | 81.8 | Confident | 46 Ų | 46 | 93.7 Ų | 93.7 | 31% | 0.311 | 48% | 0.481 | S | S | . | . | trans | -58.4 | 105.9 | 174.8 | -60.9 | 0 | 0 | 0 | 0 | 108.9 | T323 G326 L330 | T323-C328 PolarHBondContact N-SG 2.97Å; T323-C328 VanDerWaalsContact N-SG 3.38Å; T323-C328 PolarHBondContact O-SG 3.31Å; G326-C328 PolarHBondContact O-N 3.34Å; C328-L330 VanDerWaalsContact C-N 3.31Å; C328-L330 PolarHBondContact O-N 2.87Å | ||
| 329 | K | 78.9 | Confident | 81.9 | Confident | 168 Ų | 168 | 87.4 Ų | 87.4 | 73% | 0.73 | 45% | 0.452 | S | S | * | . | trans | -91.4 | 75.1 | 175.5 | -63.2 | -54.5 | -174.5 | 173.9 | 0 | 107.9 | R327 | R327-K329 WeakPolarHBondContact O-CG 3.36Å; R327-K329 PolarHBondContact O-N 3.03Å | ||
| 330 | L | 87.1 | Confident | 82 | Confident | 33 Ų | 33 | 85.9 Ų | 85.9 | 17% | 0.173 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 142.3 | 169.6 | -67.9 | 170.3 | 0 | 0 | 0 | 109.1 | L320 V322 C328 R336 L339 | L320-L330 WeakPolarHBondContact O-CD2 3.11Å; V322-L330 HydrophobicContact CG2-CD1 4.43Å; V322-L330 HydrophobicContact CG2-CD2 4.48Å; C328-L330 VanDerWaalsContact C-N 3.31Å; C328-L330 PolarHBondContact O-N 2.87Å; L330-R336 HydrophobicContact CD1-CB 4.37Å; L330-R336 HydrophobicContact CD1-CG 3.79Å; L330-L339 HydrophobicContact CD1-CD1 4.35Å; L330-L339 HydrophobicContact CD1-CD2 3.91Å; L330-L339 HydrophobicContact CD2-CD1 4.42Å; L330-L339 HydrophobicContact CD2-CD2 3.82Å; L330-L339 HydrophobicContact CG-CD2 4.46Å |
| 331 | P | 85.9 | Confident | 82.1 | Confident | 24 Ų | 24 | 89.2 Ų | 89.2 | 16% | 0.156 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 145.2 | 177.1 | -24.5 | 32.3 | 0 | 0 | 0 | 112.3 | Y315 A319 G333 V334 | Y315-P331 HydrophobicContact CD1-CB 3.95Å; Y315-P331 HydrophobicContact CD1-CG 3.65Å; Y315-P331 HydrophobicContact CD2-CG 4.45Å; Y315-P331 HydrophobicContact CE1-CB 3.45Å; Y315-P331 VanDerWaalsContact CE1-CB 3.45Å; Y315-P331 HydrophobicContact CE1-CG 3.7Å; Y315-P331 HydrophobicContact CE2-CB 4.11Å; Y315-P331 HydrophobicContact CE2-CG 4.5Å; Y315-P331 HydrophobicContact CG-CB 4.47Å; Y315-P331 HydrophobicContact CG-CG 4.03Å; A319-P331 HydrophobicContact CB-CG 4.46Å; P331-G333 PolarHBondContact O-N 3.26Å; P331-V334 HydrophobicContact CB-CG2 3.8Å; P331-V334 HydrophobicContact CG-CG2 4.21Å; P331-V334 WeakPolarHBondContact O-CB 3.39Å; P331-V334 WeakPolarHBondContact O-CG2 3.48Å; P331-V334 PolarHBondContact O-N 3.39Å |
| 332 | P | 81.2 | Confident | 82.1 | Confident | 121 Ų | 121 | 87.5 Ų | 87.5 | 79% | 0.786 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 136.6 | 178.8 | 24.4 | -31.6 | 0 | 0 | 0 | 111 | V334 | P332-V334 VanDerWaalsContact C-N 3.35Š|
| 333 | G | 83.1 | Confident | 82.3 | Confident | 81 Ų | 81 | 86.2 Ų | 86.2 | 84% | 0.835 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | 1.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P331 | P331-G333 PolarHBondContact O-N 3.26Š|
| 334 | V | 89.4 | Confident | 82.7 | Confident | 16 Ų | 16 | 83.9 Ų | 83.9 | 10% | 0.097 | 42% | 0.419 | C | S | . | . | trans | -81.4 | 130.3 | 172.8 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | Y315 L320 P331 P332 R336 L339 | Y315-V334 HydrophobicContact CD2-CG2 3.55Å; Y315-V334 HydrophobicContact CE2-CG2 3.21Å; Y315-V334 HydrophobicContact CG-CG2 4.49Å; L320-V334 HydrophobicContact CD2-CG1 3.81Å; L320-V334 HydrophobicContact CD2-CG2 4.29Å; P331-V334 HydrophobicContact CB-CG2 3.8Å; P331-V334 HydrophobicContact CG-CG2 4.21Å; P331-V334 WeakPolarHBondContact O-CB 3.39Å; P331-V334 WeakPolarHBondContact O-CG2 3.48Å; P331-V334 PolarHBondContact O-N 3.39Å; P332-V334 VanDerWaalsContact C-N 3.35Å; V334-R336 PolarHBondContact O-N 3.19Å; V334-L339 HydrophobicContact CG1-CD2 3.35Å | ||
| 335 | D | 88.2 | Confident | 83.8 | Confident | 62 Ų | 62 | 79 Ų | 79 | 33% | 0.332 | 40% | 0.397 | S | S | . | . | trans | -75.4 | 109.1 | 174 | -175.4 | -5.4 | 0 | 0 | 0 | 110.2 | T337 R338 L339 H342 | D335-T337 PolarHBondContact O-N 3.22Å; D335-T337 VanDerWaalsContact O-N 3.15Å; D335-T337 PolarHBondContact OD1-N 2.94Å; D335-T337 PolarHBondContact OD1-OG1 3.17Å; D335-T337 PolarHBondContact OD2-OG1 3.43Å; D335-R338 HydrophobicContact CB-CB 4.33Å; D335-R338 CarbonylContact O-C 3.58Å; D335-R338 PolarHBondContact O-N 3.24Å; D335-R338 WeakPolarHBondContact OD2-CD 3.48Å; D335-L339 PolarHBondContact O-N 3.34Å; D335-H342 PolarHBondContact N-NE2 2.94Å; D335-H342 VanDerWaalsContact N-NE2 3.16Å | ||
| 336 | R | 87.9 | Confident | 85 | Confident | 180 Ų | 180 | 74.9 Ų | 74.9 | 68% | 0.679 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -26 | 179.6 | -58 | -179.6 | 64.4 | 164.2 | -1.5 | 112.8 | L330 V334 | L330-R336 HydrophobicContact CD1-CB 4.37Å; L330-R336 HydrophobicContact CD1-CG 3.79Å; V334-R336 PolarHBondContact O-N 3.19Å |
| 337 | T | 87.3 | Confident | 86.8 | Confident | 97 Ų | 97 | 74.5 Ų | 74.5 | 60% | 0.595 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -13.9 | -179.1 | 67.8 | 0 | 0 | 0 | 0 | 112.7 | D335 K371 | D335-T337 PolarHBondContact O-N 3.22Å; D335-T337 VanDerWaalsContact O-N 3.15Å; D335-T337 PolarHBondContact OD1-N 2.94Å; D335-T337 PolarHBondContact OD1-OG1 3.17Å; D335-T337 PolarHBondContact OD2-OG1 3.43Å; T337-K371 PolarHBondContact O-NZ 3.24Å |
| 338 | R | 90.4 | Very high | 88.4 | Confident | 92 Ų | 92 | 64.2 Ų | 64.2 | 35% | 0.347 | 34% | 0.335 | S | S | . | . | trans | -136.7 | 41.4 | -173.7 | -59.6 | -179 | 77.4 | -168.1 | 8.7 | 112.2 | D335 E340 R341 | D335-R338 HydrophobicContact CB-CB 4.33Å; D335-R338 CarbonylContact O-C 3.58Å; D335-R338 PolarHBondContact O-N 3.24Å; D335-R338 WeakPolarHBondContact OD2-CD 3.48Å; R338-E340 VanDerWaalsContact CA-OE2 3.26Å; R338-E340 WeakPolarHBondContact CA-OE2 3.32Å; R338-E340 PolarHBondContact O-N 3.04Å; R338-E340 VanDerWaalsContact O-N 3.16Å; R338-R341 HydrophobicContact CB-CG 4.38Å; R338-R341 VanDerWaalsContact NE-CD 3.35Å; R338-R341 PolarHBondContact O-N 3.29Å | ||
| 339 | L | 92.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -54.5 | -33.1 | 179.4 | -67.5 | 172.6 | 0 | 0 | 0 | 112.7 | L320 V322 L330 V334 D335 R341 H342 L376 | L320-L339 HydrophobicContact CD2-CD2 4.07Å; V322-L339 HydrophobicContact CG2-CD1 3.39Å; L330-L339 HydrophobicContact CD1-CD1 4.35Å; L330-L339 HydrophobicContact CD1-CD2 3.91Å; L330-L339 HydrophobicContact CD2-CD1 4.42Å; L330-L339 HydrophobicContact CD2-CD2 3.82Å; L330-L339 HydrophobicContact CG-CD2 4.46Å; V334-L339 HydrophobicContact CG1-CD2 3.35Å; D335-L339 PolarHBondContact O-N 3.34Å; L339-R341 PolarHBondContact O-N 3.42Å; L339-R341 VanDerWaalsContact O-N 3.11Å; L339-H342 WeakPolarHBondContact O-CB 3.34Å; L339-H342 PolarHBondContact O-N 3.29Å; L339-L376 HydrophobicContact CB-CB 4.11Å; L339-L376 HydrophobicContact CB-CD2 4.11Å; L339-L376 HydrophobicContact CD1-CB 4.48Å; L339-L376 HydrophobicContact CD1-CD2 4.44Å |
| 340 | E | 92.4 | Very high | 90.5 | Very high | 7 Ų | 7 | 67 Ų | 67 | 3% | 0.033 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -59.3 | -23.7 | 178.1 | 74.2 | -79.5 | -179.1 | 0 | 0 | 113.6 | R338 H342 F348 F352 F359 K371 | R338-E340 VanDerWaalsContact CA-OE2 3.26Å; R338-E340 WeakPolarHBondContact CA-OE2 3.32Å; R338-E340 PolarHBondContact O-N 3.04Å; R338-E340 VanDerWaalsContact O-N 3.16Å; E340-H342 VanDerWaalsContact C-N 3.34Å; E340-F348 HydrophobicContact CB-CE2 3.99Å; E340-F348 HydrophobicContact CG-CE2 4.38Å; E340-F348 WeakPolarHBondContact O-CD2 3.19Å; E340-F352 HydrophobicContact CB-CE2 3.94Å; E340-F352 HydrophobicContact CB-CZ 3.9Å; E340-F359 HydrophobicContact CG-CE1 3.76Å; E340-F359 HydrophobicContact CG-CZ 4.16Å; E340-K371 IonicContact OE1-NZ 2.71Å; E340-K371 WeakPolarHBondContact OE2-CD 3.2Å; E340-K371 WeakPolarHBondContact OE2-CE 3.3Å; E340-K371 IonicContact OE2-NZ 2.83Å; E340-K371 PolarHBondContact OE2-NZ 2.77Å |
| 341 | R | 92.4 | Very high | 90.8 | Very high | 70 Ų | 70 | 67.5 Ų | 67.5 | 26% | 0.264 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -88.7 | -4.6 | 178.8 | -56.8 | -169.6 | 76.5 | -136.5 | 2.8 | 113.9 | Q312 R338 L339 | Q312-R341 VanDerWaalsContact OE1-CB 3.25Å; Q312-R341 PolarHBondContact OE1-O 2.93Å; R338-R341 HydrophobicContact CB-CG 4.38Å; R338-R341 VanDerWaalsContact NE-CD 3.35Å; R338-R341 PolarHBondContact O-N 3.29Å; L339-R341 PolarHBondContact O-N 3.42Å; L339-R341 VanDerWaalsContact O-N 3.11Å |
| 342 | H | 92.2 | Very high | 91.3 | Very high | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.037 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -96 | 0.6 | 173.9 | -71.8 | -79.1 | 0 | 0 | 0 | 112 | K313 I314 Y315 L320 D335 L339 E340 | K313-H342 PolarHBondContact O-ND1 3.5Å; I314-H342 CarbonylContact C-O 3.39Å; I314-H342 VanDerWaalsContact CA-O 3.27Å; I314-H342 WeakPolarHBondContact CA-O 3.32Å; Y315-H342 HydrophobicContact CD2-CB 4.3Å; Y315-H342 PolarHBondContact N-O 3.08Å; L320-H342 HydrophobicContact CD1-CB 3.68Å; L320-H342 HydrophobicContact CD2-CB 4.04Å; D335-H342 PolarHBondContact N-NE2 2.94Å; D335-H342 VanDerWaalsContact N-NE2 3.16Å; L339-H342 WeakPolarHBondContact O-CB 3.34Å; L339-H342 PolarHBondContact O-N 3.29Å; E340-H342 VanDerWaalsContact C-N 3.34Å |
| 343 | L | 92.6 | Very high | 91.9 | Very high | 12 Ų | 12 | 64.3 Ų | 64.3 | 6% | 0.063 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -81.2 | 153.4 | 172.7 | -67.9 | 169.2 | 0 | 0 | 0 | 111.1 | Y317 L320 E347 F348 F352 L376 | Y317-L343 HydrophobicContact CD2-CD2 4.13Å; Y317-L343 HydrophobicContact CG-CD2 4.47Å; L320-L343 HydrophobicContact CD1-CD2 3.74Å; L320-L343 HydrophobicContact CD1-CG 4.01Å; L343-E347 HydrophobicContact CD2-CB 4.31Å; L343-F348 HydrophobicContact CB-CB 4.23Å; L343-F348 HydrophobicContact CD1-CD2 4.25Å; L343-F352 HydrophobicContact CD1-CE2 3.9Å; L343-L376 HydrophobicContact CD1-CD1 3.7Å |
| 344 | S | 93.1 | Very high | 92.5 | Very high | 24 Ų | 24 | 62.3 Ų | 62.3 | 17% | 0.168 | 31% | 0.31 | C | S | . | . | trans | -65.5 | 157.4 | 165.6 | 65.7 | 0 | 0 | 0 | 0 | 110.1 | E346 E347 F348 | S344-E346 PolarHBondContact O-N 3.46Å; S344-E347 WeakPolarHBondContact CB-OE2 3.01Å; S344-E347 PolarHBondContact N-OE2 2.92Å; S344-E347 PolarHBondContact O-N 2.73Å; S344-E347 WeakPolarHBondContact OG-CB 3.07Å; S344-E347 WeakPolarHBondContact OG-CG 3.48Å; S344-E347 PolarHBondContact OG-N 3.36Å; S344-E347 PolarHBondContact OG-OE2 2.86Å; S344-F348 WeakPolarHBondContact O-CB 3.31Å; S344-F348 PolarHBondContact O-N 3.48Å | ||
| 345 | Q | 91.8 | Very high | 92.8 | Very high | 101 Ų | 101 | 63.3 Ų | 63.3 | 47% | 0.472 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.6 | -34 | 178.7 | -179.5 | 64.5 | 22.1 | 0 | 0 | 112.1 | Q349 | Q345-Q349 PolarHBondContact O-N 3.39Å |
| 346 | E | 94.1 | Very high | 92.9 | Very high | 162 Ų | 162 | 62.4 Ų | 62.4 | 76% | 0.757 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -70 | -53.3 | 179.3 | -67.4 | 162.1 | -168 | 0 | 0 | 110.9 | S344 F348 Q349 E350 | S344-E346 PolarHBondContact O-N 3.46Å; E346-F348 VanDerWaalsContact C-N 3.3Å; E346-F348 PolarHBondContact O-N 3.01Å; E346-Q349 PolarHBondContact O-N 3.15Å; E346-Q349 VanDerWaalsContact O-N 3.16Å; E346-E350 PolarHBondContact O-N 3.49Å |
| 347 | E | 94.2 | Very high | 93.2 | Very high | 40 Ų | 40 | 55.4 Ų | 55.4 | 19% | 0.187 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.5 | -36.9 | 177.1 | -70.2 | 169.5 | 125.2 | 0 | 0 | 111.9 | P316 Y317 L343 S344 Q349 E350 V351 | P316-E347 VanDerWaalsContact CA-OE1 3.27Å; P316-E347 WeakPolarHBondContact CA-OE1 3.44Å; Y317-E347 PolarHBondContact N-OE1 3.29Å; L343-E347 HydrophobicContact CD2-CB 4.31Å; S344-E347 WeakPolarHBondContact CB-OE2 3.01Å; S344-E347 PolarHBondContact N-OE2 2.92Å; S344-E347 PolarHBondContact O-N 2.73Å; S344-E347 WeakPolarHBondContact OG-CB 3.07Å; S344-E347 WeakPolarHBondContact OG-CG 3.48Å; S344-E347 PolarHBondContact OG-N 3.36Å; S344-E347 PolarHBondContact OG-OE2 2.86Å; E347-Q349 VanDerWaalsContact C-N 3.28Å; E347-Q349 PolarHBondContact O-N 3.26Å; E347-E350 PolarHBondContact O-N 3.1Å; E347-V351 WeakPolarHBondContact O-CB 3.28Å; E347-V351 VanDerWaalsContact O-CG2 3.24Å; E347-V351 WeakPolarHBondContact O-CG2 3.29Å; E347-V351 PolarHBondContact O-N 3.01Å |
| 348 | F | 95.2 | Very high | 93.5 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.5 | -46.9 | 175.4 | -175.6 | -83.2 | 0 | 0 | 0 | 110.7 | E340 L343 S344 E346 E350 V351 F352 M354 P355 I356 F359 | E340-F348 HydrophobicContact CB-CE2 3.99Å; E340-F348 HydrophobicContact CG-CE2 4.38Å; E340-F348 WeakPolarHBondContact O-CD2 3.19Å; L343-F348 HydrophobicContact CB-CB 4.23Å; L343-F348 HydrophobicContact CD1-CD2 4.25Å; S344-F348 WeakPolarHBondContact O-CB 3.31Å; S344-F348 PolarHBondContact O-N 3.48Å; E346-F348 VanDerWaalsContact C-N 3.3Å; E346-F348 PolarHBondContact O-N 3.01Å; F348-E350 VanDerWaalsContact C-N 3.35Å; F348-V351 PolarHBondContact O-N 2.82Å; F348-F352 HydrophobicContact CD1-CB 4.5Å; F348-F352 HydrophobicContact CD1-CD2 4.28Å; F348-F352 AromaticContact CD2-CD2 3.66Å; F348-F352 HydrophobicContact CD2-CD2 3.66Å; F348-F352 AromaticContact CD2-CE2 3.91Å; F348-F352 HydrophobicContact CD2-CE2 3.91Å; F348-F352 HydrophobicContact CE1-CB 4.04Å; F348-F352 HydrophobicContact CE1-CD2 4.09Å; F348-F352 HydrophobicContact CE1-CG 4.28Å; F348-F352 AromaticContact CE2-CD2 3.47Å; F348-F352 HydrophobicContact CE2-CD2 3.47Å; F348-F352 VanDerWaalsContact CE2-CD2 3.47Å; F348-F352 AromaticContact CE2-CE2 3.67Å; F348-F352 HydrophobicContact CE2-CE2 3.67Å; F348-F352 HydrophobicContact CE2-CG 4.21Å; F348-F352 HydrophobicContact CG-CD2 4.06Å; F348-F352 HydrophobicContact CZ-CB 4.19Å; F348-F352 AromaticContact CZ-CD2 3.67Å; F348-F352 HydrophobicContact CZ-CD2 3.67Å; F348-F352 HydrophobicContact CZ-CE2 4.25Å; F348-F352 AromaticContact CZ-CG 3.97Å; F348-F352 HydrophobicContact CZ-CG 3.97Å; F348-F352 WeakPolarHBondContact O-CB 3.32Å; F348-F352 WeakPolarHBondContact O-CD2 3.4Å; F348-F352 PolarHBondContact O-N 3.24Å; F348-M354 WeakPolarHBondContact CD1-O 3.44Å; F348-M354 WeakPolarHBondContact CE1-O 3.25Å; F348-P355 VanDerWaalsContact CE1-C 3.5Å; F348-I356 HydrophobicContact CD1-CB 4.22Å; F348-I356 HydrophobicContact CD2-CD1 3.93Å; F348-I356 VanDerWaalsContact CE1-CA 3.41Å; F348-I356 HydrophobicContact CE1-CB 4.08Å; F348-I356 HydrophobicContact CE1-CD1 4.24Å; F348-I356 VanDerWaalsContact CE1-N 3.29Å; F348-I356 HydrophobicContact CE2-CB 4.48Å; F348-I356 HydrophobicContact CE2-CD1 3.3Å; F348-I356 HydrophobicContact CE2-CG1 4.46Å; F348-I356 HydrophobicContact CZ-CB 4.23Å; F348-I356 HydrophobicContact CZ-CD1 3.51Å; F348-I356 HydrophobicContact CZ-CG1 4.46Å; F348-F359 HydrophobicContact CE1-CB 3.88Å; F348-F359 HydrophobicContact CE1-CG 4.41Å; F348-F359 HydrophobicContact CE2-CD1 4.48Å; F348-F359 HydrophobicContact CE2-CG 4.4Å; F348-F359 HydrophobicContact CZ-CB 3.45Å; F348-F359 VanDerWaalsContact CZ-CB 3.45Å; F348-F359 AromaticContact CZ-CD1 3.99Å; F348-F359 HydrophobicContact CZ-CD1 3.99Å; F348-F359 AromaticContact CZ-CD2 3.93Å; F348-F359 HydrophobicContact CZ-CD2 3.93Å; F348-F359 AromaticContact CZ-CG 3.54Å; F348-F359 HydrophobicContact CZ-CG 3.54Å |
| 349 | Q | 94.4 | Very high | 93.8 | Very high | 105 Ų | 105 | 50.8 Ų | 50.8 | 49% | 0.491 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69 | -34.5 | 179.6 | -172.5 | 170.3 | -2.5 | 0 | 0 | 112 | Q345 E346 E347 G353 | Q345-Q349 PolarHBondContact O-N 3.39Å; E346-Q349 PolarHBondContact O-N 3.15Å; E346-Q349 VanDerWaalsContact O-N 3.16Å; E347-Q349 VanDerWaalsContact C-N 3.28Å; E347-Q349 PolarHBondContact O-N 3.26Å; Q349-G353 WeakPolarHBondContact O-CA 3.31Å; Q349-G353 PolarHBondContact O-N 2.9Å |
| 350 | E | 94.9 | Very high | 93.8 | Very high | 167 Ų | 167 | 54.2 Ų | 54.2 | 78% | 0.78 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -66.6 | -45.1 | 174.9 | -172.3 | 174.3 | -175 | 0 | 0 | 112.1 | E346 E347 F348 | E346-E350 PolarHBondContact O-N 3.49Å; E347-E350 PolarHBondContact O-N 3.1Å; F348-E350 VanDerWaalsContact C-N 3.35Å |
| 351 | V | 94.4 | Very high | 94 | Very high | 44 Ų | 44 | 62.9 Ų | 62.9 | 27% | 0.267 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -74 | -42.1 | -177.4 | 173 | 0 | 0 | 0 | 0 | 112.1 | Y317 E347 F348 A374 | Y317-V351 HydrophobicContact CD1-CG2 4.36Å; Y317-V351 HydrophobicContact CD2-CG2 3.84Å; Y317-V351 HydrophobicContact CE2-CG1 4.14Å; Y317-V351 HydrophobicContact CE2-CG2 4.04Å; Y317-V351 HydrophobicContact CG-CG2 4.01Å; E347-V351 WeakPolarHBondContact O-CB 3.28Å; E347-V351 VanDerWaalsContact O-CG2 3.24Å; E347-V351 WeakPolarHBondContact O-CG2 3.29Å; E347-V351 PolarHBondContact O-N 3.01Å; F348-V351 PolarHBondContact O-N 2.82Å; V351-A374 HydrophobicContact CG1-CB 3.36Å |
| 352 | F | 95.1 | Very high | 94.2 | Very high | 15 Ų | 15 | 61.9 Ų | 61.9 | 7% | 0.066 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -101.2 | -13.2 | -174.1 | -67.8 | -79.5 | 0 | 0 | 0 | 114.2 | E340 L343 F348 M354 F359 L370 K371 A374 L376 | E340-F352 HydrophobicContact CB-CE2 3.94Å; E340-F352 HydrophobicContact CB-CZ 3.9Å; L343-F352 HydrophobicContact CD1-CE2 3.9Å; F348-F352 HydrophobicContact CD1-CB 4.5Å; F348-F352 HydrophobicContact CD1-CD2 4.28Å; F348-F352 AromaticContact CD2-CD2 3.66Å; F348-F352 HydrophobicContact CD2-CD2 3.66Å; F348-F352 AromaticContact CD2-CE2 3.91Å; F348-F352 HydrophobicContact CD2-CE2 3.91Å; F348-F352 HydrophobicContact CE1-CB 4.04Å; F348-F352 HydrophobicContact CE1-CD2 4.09Å; F348-F352 HydrophobicContact CE1-CG 4.28Å; F348-F352 AromaticContact CE2-CD2 3.47Å; F348-F352 HydrophobicContact CE2-CD2 3.47Å; F348-F352 VanDerWaalsContact CE2-CD2 3.47Å; F348-F352 AromaticContact CE2-CE2 3.67Å; F348-F352 HydrophobicContact CE2-CE2 3.67Å; F348-F352 HydrophobicContact CE2-CG 4.21Å; F348-F352 HydrophobicContact CG-CD2 4.06Å; F348-F352 HydrophobicContact CZ-CB 4.19Å; F348-F352 AromaticContact CZ-CD2 3.67Å; F348-F352 HydrophobicContact CZ-CD2 3.67Å; F348-F352 HydrophobicContact CZ-CE2 4.25Å; F348-F352 AromaticContact CZ-CG 3.97Å; F348-F352 HydrophobicContact CZ-CG 3.97Å; F348-F352 WeakPolarHBondContact O-CB 3.32Å; F348-F352 WeakPolarHBondContact O-CD2 3.4Å; F348-F352 PolarHBondContact O-N 3.24Å; F352-M354 HydrophobicContact CB-CG 4.41Å; F352-M354 PolarHBondContact O-N 3.03Å; F352-F359 HydrophobicContact CD1-CD2 4.04Å; F352-F359 AromaticContact CD1-CE2 3.78Å; F352-F359 HydrophobicContact CD1-CE2 3.78Å; F352-F359 HydrophobicContact CE1-CD2 4.4Å; F352-F359 AromaticContact CE1-CE2 3.71Å; F352-F359 HydrophobicContact CE1-CE2 3.71Å; F352-F359 HydrophobicContact CE1-CZ 4.32Å; F352-F359 HydrophobicContact CG-CD2 4.43Å; F352-F359 HydrophobicContact CZ-CE2 4.41Å; F352-L370 HydrophobicContact CD1-CB 3.83Å; F352-L370 HydrophobicContact CE1-CB 3.9Å; F352-K371 HydrophobicContact CE1-CG 4.2Å; F352-K371 HydrophobicContact CZ-CG 4.2Å; F352-A374 HydrophobicContact CE1-CB 4.18Å; F352-A374 HydrophobicContact CZ-CB 4.07Å; F352-L376 HydrophobicContact CE2-CD1 3.95Å; F352-L376 HydrophobicContact CZ-CD1 3.89Å |
| 353 | G | 94.9 | Very high | 94.4 | Very high | 64 Ų | 64 | 63.9 Ų | 63.9 | 66% | 0.66 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 71.8 | 11.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q349 | Q349-G353 WeakPolarHBondContact O-CA 3.31Å; Q349-G353 PolarHBondContact O-N 2.9Å |
| 354 | M | 95.4 | Very high | 94.5 | Very high | 39 Ų | 39 | 68.4 Ų | 68.4 | 19% | 0.192 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -155 | 158.7 | -177.1 | 67 | -176.9 | 69.1 | 0 | 0 | 110.7 | F348 F352 E358 F359 L362 L370 | F348-M354 WeakPolarHBondContact CD1-O 3.44Å; F348-M354 WeakPolarHBondContact CE1-O 3.25Å; F352-M354 HydrophobicContact CB-CG 4.41Å; F352-M354 PolarHBondContact O-N 3.03Å; M354-E358 HydrophobicContact CB-CB 4.23Å; M354-E358 HydrophobicContact CG-CB 4.36Å; M354-E358 HydrophobicContact SD-CB 4.18Å; M354-F359 HydrophobicContact CG-CB 4.44Å; M354-F359 HydrophobicContact SD-CB 4.28Å; M354-L362 HydrophobicContact CE-CD1 4.14Å; M354-L362 HydrophobicContact SD-CD1 3.68Å; M354-L362 HydrophobicContact SD-CG 4.36Å; M354-L370 HydrophobicContact CE-CD1 4.35Å |
| 355 | P | 94.8 | Very high | 94.7 | Very high | 36 Ų | 36 | 75.6 Ų | 75.6 | 23% | 0.234 | 38% | 0.383 | C | S | . | . | trans | -72.1 | 155.7 | 176 | 29.3 | -35.5 | 0 | 0 | 0 | 112.6 | F348 G357 E358 F359 | F348-P355 VanDerWaalsContact CE1-C 3.5Å; P355-G357 PolarHBondContact O-N 3.18Å; P355-G357 VanDerWaalsContact O-N 3.12Å; P355-E358 HydrophobicContact CG-CB 4.08Å; P355-E358 HydrophobicContact CG-CG 3.8Å; P355-E358 WeakPolarHBondContact CG-OE1 3.42Å; P355-E358 WeakPolarHBondContact O-CB 3.33Å; P355-E358 PolarHBondContact O-N 2.97Å; P355-F359 PolarHBondContact O-N 3.18Å; P355-F359 VanDerWaalsContact O-N 3.07Å | ||
| 356 | I | 91.8 | Very high | 94.9 | Very high | 43 Ų | 43 | 74.9 Ų | 74.9 | 22% | 0.221 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -53.1 | -36.5 | -180 | -171.3 | 67.6 | 0 | 0 | 0 | 113.2 | F348 E358 F359 D360 | F348-I356 HydrophobicContact CD1-CB 4.22Å; F348-I356 HydrophobicContact CD2-CD1 3.93Å; F348-I356 VanDerWaalsContact CE1-CA 3.41Å; F348-I356 HydrophobicContact CE1-CB 4.08Å; F348-I356 HydrophobicContact CE1-CD1 4.24Å; F348-I356 VanDerWaalsContact CE1-N 3.29Å; F348-I356 HydrophobicContact CE2-CB 4.48Å; F348-I356 HydrophobicContact CE2-CD1 3.3Å; F348-I356 HydrophobicContact CE2-CG1 4.46Å; F348-I356 HydrophobicContact CZ-CB 4.23Å; F348-I356 HydrophobicContact CZ-CD1 3.51Å; F348-I356 HydrophobicContact CZ-CG1 4.46Å; I356-E358 VanDerWaalsContact C-N 3.31Å; I356-E358 PolarHBondContact O-N 3.11Å; I356-F359 HydrophobicContact CD1-CD1 4.25Å; I356-F359 WeakPolarHBondContact O-CB 3.29Å; I356-F359 PolarHBondContact O-N 3.39Å; I356-D360 PolarHBondContact O-N 3.29Å |
| 357 | G | 92.6 | Very high | 95 | Very high | 34 Ų | 34 | 70.4 Ų | 70.4 | 35% | 0.351 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.3 | -29.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | P355 R361 | P355-G357 PolarHBondContact O-N 3.18Å; P355-G357 VanDerWaalsContact O-N 3.12Å; G357-R361 WeakPolarHBondContact O-CG 3.38Å; G357-R361 VanDerWaalsContact O-CZ 3.28Å; G357-R361 PolarHBondContact O-NE 2.99Å; G357-R361 VanDerWaalsContact O-NE 3.16Å |
| 358 | E | 95.1 | Very high | 95 | Very high | 92 Ų | 92 | 70.7 Ų | 70.7 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -77.9 | -40.4 | 171.4 | -75.5 | 178.5 | -148.1 | 0 | 0 | 111.7 | M354 P355 I356 D360 R361 L362 | M354-E358 HydrophobicContact CB-CB 4.23Å; M354-E358 HydrophobicContact CG-CB 4.36Å; M354-E358 HydrophobicContact SD-CB 4.18Å; P355-E358 HydrophobicContact CG-CB 4.08Å; P355-E358 HydrophobicContact CG-CG 3.8Å; P355-E358 WeakPolarHBondContact CG-OE1 3.42Å; P355-E358 WeakPolarHBondContact O-CB 3.33Å; P355-E358 PolarHBondContact O-N 2.97Å; I356-E358 VanDerWaalsContact C-N 3.31Å; I356-E358 PolarHBondContact O-N 3.11Å; E358-D360 VanDerWaalsContact C-N 3.32Å; E358-D360 PolarHBondContact O-N 3.02Å; E358-R361 WeakPolarHBondContact O-CB 3.43Å; E358-R361 PolarHBondContact O-N 3.2Å; E358-R361 VanDerWaalsContact O-N 3.09Å; E358-L362 PolarHBondContact O-N 3.02Å |
| 359 | F | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.4 | -43.9 | 175.9 | 179.1 | -94 | 0 | 0 | 0 | 112.1 | E340 F348 F352 M354 P355 I356 R361 L362 R367 L370 K371 | E340-F359 HydrophobicContact CG-CE1 3.76Å; E340-F359 HydrophobicContact CG-CZ 4.16Å; F348-F359 HydrophobicContact CE1-CB 3.88Å; F348-F359 HydrophobicContact CE1-CG 4.41Å; F348-F359 HydrophobicContact CE2-CD1 4.48Å; F348-F359 HydrophobicContact CE2-CG 4.4Å; F348-F359 HydrophobicContact CZ-CB 3.45Å; F348-F359 VanDerWaalsContact CZ-CB 3.45Å; F348-F359 AromaticContact CZ-CD1 3.99Å; F348-F359 HydrophobicContact CZ-CD1 3.99Å; F348-F359 AromaticContact CZ-CD2 3.93Å; F348-F359 HydrophobicContact CZ-CD2 3.93Å; F348-F359 AromaticContact CZ-CG 3.54Å; F348-F359 HydrophobicContact CZ-CG 3.54Å; F352-F359 HydrophobicContact CD1-CD2 4.04Å; F352-F359 AromaticContact CD1-CE2 3.78Å; F352-F359 HydrophobicContact CD1-CE2 3.78Å; F352-F359 HydrophobicContact CE1-CD2 4.4Å; F352-F359 AromaticContact CE1-CE2 3.71Å; F352-F359 HydrophobicContact CE1-CE2 3.71Å; F352-F359 HydrophobicContact CE1-CZ 4.32Å; F352-F359 HydrophobicContact CG-CD2 4.43Å; F352-F359 HydrophobicContact CZ-CE2 4.41Å; M354-F359 HydrophobicContact CG-CB 4.44Å; M354-F359 HydrophobicContact SD-CB 4.28Å; P355-F359 PolarHBondContact O-N 3.18Å; P355-F359 VanDerWaalsContact O-N 3.07Å; I356-F359 HydrophobicContact CD1-CD1 4.25Å; I356-F359 WeakPolarHBondContact O-CB 3.29Å; I356-F359 PolarHBondContact O-N 3.39Å; F359-R361 PolarHBondContact O-N 3.04Å; F359-L362 HydrophobicContact CD2-CD1 4.24Å; F359-L362 VanDerWaalsContact O-CB 3.26Å; F359-L362 WeakPolarHBondContact O-CB 3.48Å; F359-L362 PolarHBondContact O-N 3.21Å; F359-R367 HydrophobicContact CD1-CG 4.09Å; F359-R367 HydrophobicContact CD2-CG 4.29Å; F359-R367 HydrophobicContact CE1-CB 4.05Å; F359-R367 HydrophobicContact CE1-CG 3.72Å; F359-R367 HydrophobicContact CE2-CB 4.06Å; F359-R367 HydrophobicContact CE2-CG 3.95Å; F359-R367 HydrophobicContact CG-CG 4.36Å; F359-R367 HydrophobicContact CZ-CB 3.6Å; F359-R367 HydrophobicContact CZ-CG 3.65Å; F359-R367 VanDerWaalsContact O-CD 3.26Å; F359-R367 WeakPolarHBondContact O-CD 3.26Å; F359-R367 WeakPolarHBondContact O-CG 3.34Å; F359-L370 HydrophobicContact CD2-CD1 4.24Å; F359-L370 HydrophobicContact CE2-CB 4.25Å; F359-L370 HydrophobicContact CE2-CD1 4.24Å; F359-K371 HydrophobicContact CZ-CD 4.11Å; F359-K371 HydrophobicContact CZ-CG 4.01Å |
| 360 | D | 93.8 | Very high | 95.1 | Very high | 72 Ų | 72 | 69.1 Ų | 69.1 | 39% | 0.385 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.2 | 178.2 | -80.9 | -21.8 | 0 | 0 | 0 | 113.4 | I356 E358 L362 | I356-D360 PolarHBondContact O-N 3.29Å; E358-D360 VanDerWaalsContact C-N 3.32Å; E358-D360 PolarHBondContact O-N 3.02Å; D360-L362 VanDerWaalsContact C-N 3.32Å |
| 361 | R | 96.8 | Very high | 95.1 | Very high | 189 Ų | 189 | 61.7 Ų | 61.7 | 71% | 0.713 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -16.5 | 173.8 | -70.6 | -177.4 | -82.9 | -114.3 | 4.4 | 113.1 | G357 E358 F359 | G357-R361 WeakPolarHBondContact O-CG 3.38Å; G357-R361 VanDerWaalsContact O-CZ 3.28Å; G357-R361 PolarHBondContact O-NE 2.99Å; G357-R361 VanDerWaalsContact O-NE 3.16Å; E358-R361 WeakPolarHBondContact O-CB 3.43Å; E358-R361 PolarHBondContact O-N 3.2Å; E358-R361 VanDerWaalsContact O-N 3.09Å; F359-R361 PolarHBondContact O-N 3.04Å |
| 362 | L | 96.1 | Very high | 95.1 | Very high | 49 Ų | 49 | 65.7 Ų | 65.7 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -70.5 | 151.2 | 178.9 | -61.2 | 175.5 | 0 | 0 | 0 | 111.7 | M354 E358 F359 D360 R366 R367 L370 | M354-L362 HydrophobicContact CE-CD1 4.14Å; M354-L362 HydrophobicContact SD-CD1 3.68Å; M354-L362 HydrophobicContact SD-CG 4.36Å; E358-L362 PolarHBondContact O-N 3.02Å; F359-L362 HydrophobicContact CD2-CD1 4.24Å; F359-L362 VanDerWaalsContact O-CB 3.26Å; F359-L362 WeakPolarHBondContact O-CB 3.48Å; F359-L362 PolarHBondContact O-N 3.21Å; D360-L362 VanDerWaalsContact C-N 3.32Å; L362-R366 HydrophobicContact CB-CB 4.34Å; L362-R366 HydrophobicContact CB-CG 4.38Å; L362-R366 HydrophobicContact CD1-CG 4.01Å; L362-R366 HydrophobicContact CD2-CG 4.36Å; L362-R367 HydrophobicContact CB-CG 3.84Å; L362-R367 PolarHBondContact O-NE 3.12Å; L362-L370 HydrophobicContact CD1-CD1 3.62Å |
| 363 | S | 96.9 | Very high | 95 | Very high | 50 Ų | 50 | 71.7 Ų | 71.7 | 35% | 0.35 | 35% | 0.354 | S | S | . | . | trans | -56.8 | 150.5 | 169.8 | 62.5 | 0 | 0 | 0 | 0 | 111.1 | W365 R366 R367 | S363-W365 VanDerWaalsContact C-N 3.27Å; S363-W365 PolarHBondContact O-N 3.32Å; S363-W365 PolarHBondContact OG-NE1 2.94Å; S363-R366 PolarHBondContact O-N 3.13Å; S363-R366 VanDerWaalsContact OG-CB 3.31Å; S363-R366 WeakPolarHBondContact OG-CB 3.47Å; S363-R366 PolarHBondContact OG-N 3.19Å; S363-R367 PolarHBondContact O-N 3.04Å | ||
| 364 | L | 94.6 | Very high | 94.9 | Very high | 106 Ų | 106 | 69 Ų | 69 | 56% | 0.555 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -56.4 | -41.4 | -179.2 | -178.9 | 63.7 | 0 | 0 | 0 | 112.5 | R366 R367 N368 | L364-R366 VanDerWaalsContact C-N 3.29Å; L364-R366 PolarHBondContact O-N 3.18Å; L364-R367 PolarHBondContact O-N 3.42Å; L364-N368 WeakPolarHBondContact O-CB 3.44Å; L364-N368 VanDerWaalsContact O-CG 3.27Å; L364-N368 PolarHBondContact O-N 2.71Å |
| 365 | W | 95.9 | Very high | 94.7 | Very high | 176 Ų | 176 | 69.3 Ų | 69.3 | 67% | 0.667 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.2 | -40 | 178.6 | 73.8 | -99.6 | 0 | 0 | 0 | 111.6 | S363 N368 E369 | S363-W365 VanDerWaalsContact C-N 3.27Å; S363-W365 PolarHBondContact O-N 3.32Å; S363-W365 PolarHBondContact OG-NE1 2.94Å; W365-N368 PolarHBondContact O-N 2.92Å; W365-E369 VanDerWaalsContact CZ3-OE2 3.32Å; W365-E369 WeakPolarHBondContact CZ3-OE2 3.4Å; W365-E369 WeakPolarHBondContact O-CB 3.41Å; W365-E369 PolarHBondContact O-N 3.07Å |
| 366 | R | 96.3 | Very high | 94.6 | Very high | 85 Ų | 85 | 67.6 Ų | 67.6 | 32% | 0.321 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -72.2 | -41 | -179.4 | -175.3 | 61.1 | 178.3 | -178.2 | -3.2 | 111.5 | L362 S363 L364 N368 E369 L370 | L362-R366 HydrophobicContact CB-CB 4.34Å; L362-R366 HydrophobicContact CB-CG 4.38Å; L362-R366 HydrophobicContact CD1-CG 4.01Å; L362-R366 HydrophobicContact CD2-CG 4.36Å; S363-R366 PolarHBondContact O-N 3.13Å; S363-R366 VanDerWaalsContact OG-CB 3.31Å; S363-R366 WeakPolarHBondContact OG-CB 3.47Å; S363-R366 PolarHBondContact OG-N 3.19Å; L364-R366 VanDerWaalsContact C-N 3.29Å; L364-R366 PolarHBondContact O-N 3.18Å; R366-N368 VanDerWaalsContact C-N 3.34Å; R366-N368 PolarHBondContact O-N 2.86Å; R366-E369 WeakPolarHBondContact CD-OE2 3.15Å; R366-E369 IonicContact CZ-OE2 3.4Å; R366-E369 IonicContact NE-OE2 3.19Å; R366-E369 VanDerWaalsContact NH1-CD 3.3Å; R366-E369 IonicContact NH1-OE1 2.7Å; R366-E369 PolarHBondContact NH1-OE1 3.01Å; R366-E369 IonicContact NH1-OE2 3.03Å; R366-E369 PolarHBondContact NH1-OE2 3.38Å; R366-E369 PolarHBondContact O-N 3.46Å; R366-L370 HydrophobicContact CG-CD1 4.42Å; R366-L370 WeakPolarHBondContact O-CG 3.47Å; R366-L370 PolarHBondContact O-N 3.31Å |
| 367 | R | 95.8 | Very high | 94.4 | Very high | 68 Ų | 68 | 71.5 Ų | 71.5 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.5 | -46.7 | 172.1 | -72.5 | -169.1 | -81.2 | 154.8 | 1 | 111.5 | F359 L362 S363 L364 L370 K371 | F359-R367 HydrophobicContact CD1-CG 4.09Å; F359-R367 HydrophobicContact CD2-CG 4.29Å; F359-R367 HydrophobicContact CE1-CB 4.05Å; F359-R367 HydrophobicContact CE1-CG 3.72Å; F359-R367 HydrophobicContact CE2-CB 4.06Å; F359-R367 HydrophobicContact CE2-CG 3.95Å; F359-R367 HydrophobicContact CG-CG 4.36Å; F359-R367 HydrophobicContact CZ-CB 3.6Å; F359-R367 HydrophobicContact CZ-CG 3.65Å; F359-R367 VanDerWaalsContact O-CD 3.26Å; F359-R367 WeakPolarHBondContact O-CD 3.26Å; F359-R367 WeakPolarHBondContact O-CG 3.34Å; L362-R367 HydrophobicContact CB-CG 3.84Å; L362-R367 PolarHBondContact O-NE 3.12Å; S363-R367 PolarHBondContact O-N 3.04Å; L364-R367 PolarHBondContact O-N 3.42Å; R367-L370 PolarHBondContact O-N 2.97Å; R367-K371 WeakPolarHBondContact O-CB 3.38Å; R367-K371 VanDerWaalsContact O-CG 3.27Å; R367-K371 WeakPolarHBondContact O-CG 3.4Å; R367-K371 PolarHBondContact O-N 3.14Å |
| 368 | N | 95.2 | Very high | 94.5 | Very high | 46 Ų | 46 | 73.4 Ų | 73.4 | 25% | 0.246 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 178.6 | -70.1 | -11.1 | 0 | 0 | 0 | 112.5 | L364 W365 R366 K371 K372 F377 | L364-N368 WeakPolarHBondContact O-CB 3.44Å; L364-N368 VanDerWaalsContact O-CG 3.27Å; L364-N368 PolarHBondContact O-N 2.71Å; W365-N368 PolarHBondContact O-N 2.92Å; R366-N368 VanDerWaalsContact C-N 3.34Å; R366-N368 PolarHBondContact O-N 2.86Å; N368-K371 PolarHBondContact O-N 2.97Å; N368-K372 WeakPolarHBondContact O-CB 3.27Å; N368-K372 VanDerWaalsContact O-CG 3.28Å; N368-K372 WeakPolarHBondContact O-CG 3.49Å; N368-K372 PolarHBondContact O-N 3.19Å; N368-F377 HydrophobicContact CB-CD2 4.18Å; N368-F377 HydrophobicContact CB-CE2 3.81Å |
| 369 | E | 95.6 | Very high | 94.4 | Very high | 57 Ų | 57 | 72.4 Ų | 72.4 | 27% | 0.266 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 175.5 | -169 | -159 | 155 | 0 | 0 | 111.4 | W365 R366 K372 K373 | W365-E369 VanDerWaalsContact CZ3-OE2 3.32Å; W365-E369 WeakPolarHBondContact CZ3-OE2 3.4Å; W365-E369 WeakPolarHBondContact O-CB 3.41Å; W365-E369 PolarHBondContact O-N 3.07Å; R366-E369 WeakPolarHBondContact CD-OE2 3.15Å; R366-E369 IonicContact CZ-OE2 3.4Å; R366-E369 IonicContact NE-OE2 3.19Å; R366-E369 VanDerWaalsContact NH1-CD 3.3Å; R366-E369 IonicContact NH1-OE1 2.7Å; R366-E369 PolarHBondContact NH1-OE1 3.01Å; R366-E369 IonicContact NH1-OE2 3.03Å; R366-E369 PolarHBondContact NH1-OE2 3.38Å; R366-E369 PolarHBondContact O-N 3.46Å; E369-K372 PolarHBondContact O-N 3.5Å; E369-K373 WeakPolarHBondContact O-CG 3.3Å; E369-K373 PolarHBondContact O-N 2.95Å; E369-K373 WeakPolarHBondContact OE1-CE 3.49Å; E369-K373 IonicContact OE1-NZ 3.38Å; E369-K373 PolarHBondContact OE1-NZ 2.92Å |
| 370 | L | 96 | Very high | 94.4 | Very high | 20 Ų | 20 | 76.4 Ų | 76.4 | 11% | 0.105 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 177.7 | -68.8 | 174.3 | 0 | 0 | 0 | 111.7 | F352 M354 F359 L362 R366 R367 K372 K373 A374 | F352-L370 HydrophobicContact CD1-CB 3.83Å; F352-L370 HydrophobicContact CE1-CB 3.9Å; M354-L370 HydrophobicContact CE-CD1 4.35Å; F359-L370 HydrophobicContact CD2-CD1 4.24Å; F359-L370 HydrophobicContact CE2-CB 4.25Å; F359-L370 HydrophobicContact CE2-CD1 4.24Å; L362-L370 HydrophobicContact CD1-CD1 3.62Å; R366-L370 HydrophobicContact CG-CD1 4.42Å; R366-L370 WeakPolarHBondContact O-CG 3.47Å; R366-L370 PolarHBondContact O-N 3.31Å; R367-L370 PolarHBondContact O-N 2.97Å; L370-K372 VanDerWaalsContact C-N 3.31Å; L370-K372 PolarHBondContact O-N 3.39Å; L370-K373 WeakPolarHBondContact O-CB 3.41Å; L370-K373 PolarHBondContact O-N 2.97Å; L370-A374 WeakPolarHBondContact O-CB 3.43Å; L370-A374 PolarHBondContact O-N 2.88Å |
| 371 | K | 94.9 | Very high | 94.4 | Very high | 11 Ų | 11 | 76.6 Ų | 76.6 | 5% | 0.048 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60 | -40.4 | 175 | -73.4 | 171.4 | 59.6 | 155.7 | 0 | 112.3 | T337 E340 F352 F359 R367 N368 A374 S375 L376 F377 | T337-K371 PolarHBondContact O-NZ 3.24Å; E340-K371 IonicContact OE1-NZ 2.71Å; E340-K371 WeakPolarHBondContact OE2-CD 3.2Å; E340-K371 WeakPolarHBondContact OE2-CE 3.3Å; E340-K371 IonicContact OE2-NZ 2.83Å; E340-K371 PolarHBondContact OE2-NZ 2.77Å; F352-K371 HydrophobicContact CE1-CG 4.2Å; F352-K371 HydrophobicContact CZ-CG 4.2Å; F359-K371 HydrophobicContact CZ-CD 4.11Å; F359-K371 HydrophobicContact CZ-CG 4.01Å; R367-K371 WeakPolarHBondContact O-CB 3.38Å; R367-K371 VanDerWaalsContact O-CG 3.27Å; R367-K371 WeakPolarHBondContact O-CG 3.4Å; R367-K371 PolarHBondContact O-N 3.14Å; N368-K371 PolarHBondContact O-N 2.97Å; K371-A374 CarbonylContact O-C 3.55Å; K371-A374 PolarHBondContact O-N 3.18Å; K371-S375 PolarHBondContact O-N 3.04Å; K371-L376 VanDerWaalsContact CE-O 3.22Å; K371-L376 WeakPolarHBondContact CE-O 3.25Å; K371-L376 PolarHBondContact O-N 2.98Å; K371-F377 HydrophobicContact CB-CB 3.95Å; K371-F377 HydrophobicContact CB-CD2 4.23Å |
| 372 | K | 93.4 | Very high | 94.3 | Very high | 128 Ų | 128 | 69.6 Ų | 69.6 | 56% | 0.557 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -63.5 | -42.7 | 175 | -74.5 | 174.6 | -178.9 | -174.9 | 0 | 111.7 | N368 E369 L370 A374 S375 F377 | N368-K372 WeakPolarHBondContact O-CB 3.27Å; N368-K372 VanDerWaalsContact O-CG 3.28Å; N368-K372 WeakPolarHBondContact O-CG 3.49Å; N368-K372 PolarHBondContact O-N 3.19Å; E369-K372 PolarHBondContact O-N 3.5Å; L370-K372 VanDerWaalsContact C-N 3.31Å; L370-K372 PolarHBondContact O-N 3.39Å; K372-A374 VanDerWaalsContact C-N 3.28Å; K372-A374 PolarHBondContact O-N 3.03Å; K372-S375 PolarHBondContact O-N 3.44Å; K372-S375 VanDerWaalsContact O-N 3.1Å; K372-F377 HydrophobicContact CB-CB 4.31Å; K372-F377 HydrophobicContact CD-CD1 4.19Å; K372-F377 HydrophobicContact CD-CG 4.38Å; K372-F377 VanDerWaalsContact CE-CD1 3.41Å; K372-F377 HydrophobicContact CG-CB 3.53Å; K372-F377 HydrophobicContact CG-CD1 3.65Å; K372-F377 HydrophobicContact CG-CD2 4.24Å; K372-F377 HydrophobicContact CG-CE1 4.46Å; K372-F377 HydrophobicContact CG-CG 3.52Å |
| 373 | K | 93.4 | Very high | 94.1 | Very high | 141 Ų | 141 | 71 Ų | 71 | 61% | 0.613 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.5 | -38.4 | 175.3 | -74.7 | 172.7 | 168.9 | 171.3 | 0 | 111.8 | E369 L370 S375 | E369-K373 WeakPolarHBondContact O-CG 3.3Å; E369-K373 PolarHBondContact O-N 2.95Å; E369-K373 WeakPolarHBondContact OE1-CE 3.49Å; E369-K373 IonicContact OE1-NZ 3.38Å; E369-K373 PolarHBondContact OE1-NZ 2.92Å; L370-K373 WeakPolarHBondContact O-CB 3.41Å; L370-K373 PolarHBondContact O-N 2.97Å; K373-S375 VanDerWaalsContact C-N 3.28Å; K373-S375 PolarHBondContact O-N 3.19Å |
| 374 | A | 92.4 | Very high | 93.9 | Very high | 6 Ų | 6 | 72.5 Ų | 72.5 | 5% | 0.05 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 2.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y317 V351 F352 L370 K371 K372 L376 | Y317-A374 WeakPolarHBondContact CE2-O 3.44Å; Y317-A374 PolarHBondContact OH-O 3.16Å; V351-A374 HydrophobicContact CG1-CB 3.36Å; F352-A374 HydrophobicContact CE1-CB 4.18Å; F352-A374 HydrophobicContact CZ-CB 4.07Å; L370-A374 WeakPolarHBondContact O-CB 3.43Å; L370-A374 PolarHBondContact O-N 2.88Å; K371-A374 CarbonylContact O-C 3.55Å; K371-A374 PolarHBondContact O-N 3.18Å; K372-A374 VanDerWaalsContact C-N 3.28Å; K372-A374 PolarHBondContact O-N 3.03Å; A374-L376 HydrophobicContact CB-CD1 4.07Å; A374-L376 HydrophobicContact CB-CG 4.14Å; A374-L376 WeakPolarHBondContact O-CG 3.45Å; A374-L376 PolarHBondContact O-N 3.05Å |
| 375 | S | 91.9 | Very high | 93.9 | Very high | 47 Ų | 47 | 69.9 Ų | 69.9 | 33% | 0.329 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 33.2 | -174.1 | -55.5 | 0 | 0 | 0 | 0 | 114.1 | V322 K371 K372 K373 | V322-S375 PolarHBondContact N-O 3.42Å; K371-S375 PolarHBondContact O-N 3.04Å; K372-S375 PolarHBondContact O-N 3.44Å; K372-S375 VanDerWaalsContact O-N 3.1Å; K373-S375 VanDerWaalsContact C-N 3.28Å; K373-S375 PolarHBondContact O-N 3.19Å |
| 376 | L | 91.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -113.9 | 24.8 | 177.5 | -62.3 | 174.7 | 0 | 0 | 0 | 111.8 | Y317 L320 L339 L343 F352 K371 A374 | Y317-L376 HydrophobicContact CD2-CD1 4.27Å; Y317-L376 HydrophobicContact CD2-CD2 4.25Å; Y317-L376 HydrophobicContact CE2-CD1 4.12Å; Y317-L376 HydrophobicContact CE2-CD2 4.13Å; Y317-L376 HydrophobicContact CE2-CG 4.1Å; L320-L376 HydrophobicContact CB-CD2 3.77Å; L320-L376 WeakPolarHBondContact O-CD2 3.32Å; L339-L376 HydrophobicContact CB-CB 4.11Å; L339-L376 HydrophobicContact CB-CD2 4.11Å; L339-L376 HydrophobicContact CD1-CB 4.48Å; L339-L376 HydrophobicContact CD1-CD2 4.44Å; L343-L376 HydrophobicContact CD1-CD1 3.7Å; F352-L376 HydrophobicContact CE2-CD1 3.95Å; F352-L376 HydrophobicContact CZ-CD1 3.89Å; K371-L376 VanDerWaalsContact CE-O 3.22Å; K371-L376 WeakPolarHBondContact CE-O 3.25Å; K371-L376 PolarHBondContact O-N 2.98Å; A374-L376 HydrophobicContact CB-CD1 4.07Å; A374-L376 HydrophobicContact CB-CG 4.14Å; A374-L376 WeakPolarHBondContact O-CG 3.45Å; A374-L376 PolarHBondContact O-N 3.05Å | ||
| 377 | F | 88.3 | Confident | 93.5 | Very high | 124 Ų | 124 | 58.9 Ų | 58.9 | 54% | 0.544 | 27% | 0.274 | S | S | . | . | trans | -115.5 | 0 | -177.5 | -173 | -92 | 0 | 0 | 0 | 112.8 | N368 K371 K372 | N368-F377 HydrophobicContact CB-CD2 4.18Å; N368-F377 HydrophobicContact CB-CE2 3.81Å; K371-F377 HydrophobicContact CB-CB 3.95Å; K371-F377 HydrophobicContact CB-CD2 4.23Å; K372-F377 HydrophobicContact CB-CB 4.31Å; K372-F377 HydrophobicContact CD-CD1 4.19Å; K372-F377 HydrophobicContact CD-CG 4.38Å; K372-F377 VanDerWaalsContact CE-CD1 3.41Å; K372-F377 HydrophobicContact CG-CB 3.53Å; K372-F377 HydrophobicContact CG-CD1 3.65Å; K372-F377 HydrophobicContact CG-CD2 4.24Å; K372-F377 HydrophobicContact CG-CE1 4.46Å; K372-F377 HydrophobicContact CG-CG 3.52Å |
Retrieved 377 of 377 residues in 131.6 ms
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