| 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 | 43.4 | Very low | 37.8 | Very low | 238 Ų | 238 | 149.6 Ų | 149.6 | 100% | 1.172 | 86% | 0.856 | S | S | * | * | 0 | 92.5 | 0 | -166.3 | 168.3 | 176.1 | 0 | 0 | 107.4 | |||||
| 2 | V | 33.1 | Very low | 37.5 | Very low | 141 Ų | 141 | 153.1 Ų | 153.1 | 86% | 0.855 | 86% | 0.859 | S | S | * | * | trans | -140.9 | 110.4 | 171.5 | 179 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 3 | T | 37.7 | Very low | 38.3 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 79% | 0.785 | 84% | 0.84 | S | S | * | * | trans | -79.3 | 130.7 | 173.8 | 43.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 4 | S | 35 | Very low | 38.2 | Very low | 124 Ų | 124 | 150.6 Ų | 150.6 | 87% | 0.867 | 84% | 0.839 | S | S | * | * | trans | -105.6 | 120.8 | 161.3 | -81.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 5 | K | 40 | Very low | 38 | Very low | 205 Ų | 205 | 152.5 Ų | 152.5 | 89% | 0.891 | 84% | 0.839 | S | S | * | * | trans | -70.5 | 148.3 | 176.7 | -85.8 | 175.5 | 170.3 | 175.5 | 0 | 111.5 | ||||
| 6 | V | 41.4 | Very low | 37.7 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 77% | 0.77 | 83% | 0.832 | S | S | * | * | trans | -60.5 | 139.7 | 169.4 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | K8 | V6-K8 HydrophobicContact CG1-CB 4.42Š| ||
| 7 | V | 37.5 | Very low | 37.6 | Very low | 134 Ų | 134 | 148.3 Ų | 148.3 | 81% | 0.812 | 83% | 0.834 | S | S | * | * | trans | -133 | 118.9 | 146.9 | 177.2 | 0 | 0 | 0 | 0 | 108 | V9 | V7-V9 HydrophobicContact CG1-CG2 4.01Š| ||
| 8 | K | 41.3 | Very low | 37.7 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 78% | 0.783 | 83% | 0.83 | S | S | * | * | trans | -113.3 | 126.8 | 171 | -162.4 | 179.2 | -173 | -179.6 | 0 | 105.6 | V6 | V6-K8 HydrophobicContact CG1-CB 4.42Š| ||
| 9 | V | 38.3 | Very low | 38 | Very low | 133 Ų | 133 | 148.3 Ų | 148.3 | 81% | 0.806 | 83% | 0.832 | S | S | * | * | trans | -127.1 | 129.1 | 170.4 | 175.2 | 0 | 0 | 0 | 0 | 108.3 | V7 | V7-V9 HydrophobicContact CG1-CG2 4.01Š| ||
| 10 | N | 35.2 | Very low | 37.8 | Very low | 153 Ų | 153 | 146.1 Ų | 146.1 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -75.1 | 159.8 | -168.9 | -74 | -23.9 | 0 | 0 | 0 | 115 | ||||
| 11 | G | 32.7 | Very low | 38.1 | Very low | 83 Ų | 83 | 145.2 Ų | 145.2 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | trans | 160.9 | 99.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 12 | Q | 34.8 | Very low | 37.7 | Very low | 191 Ų | 191 | 139.5 Ų | 139.5 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -87.9 | 179.7 | 166 | -119.6 | -178 | -73.9 | 0 | 0 | 110.1 | ||||
| 13 | P | 46.9 | Very low | 38.1 | Very low | 95 Ų | 95 | 137.6 Ų | 137.6 | 62% | 0.617 | 80% | 0.796 | S | S | * | * | cis | -137.7 | -166.3 | -16 | 33.6 | -10.2 | 0 | 0 | 0 | 114.5 | ||||
| 14 | E | 37.5 | Very low | 38 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | 89.2 | 138.7 | 163.6 | -43.3 | -139 | 132.2 | 0 | 0 | 115.9 | ||||
| 15 | E | 34.7 | Very low | 38.3 | Very low | 180 Ų | 180 | 141.1 Ų | 141.1 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | cis | -167.5 | 151.8 | 14.5 | -153.8 | 173.8 | -179.5 | 0 | 0 | 105.8 | ||||
| 16 | G | 34.1 | Very low | 38 | Very low | 70 Ų | 70 | 137.2 Ų | 137.2 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | 152.2 | 70.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 17 | D | 34.9 | Very low | 37.9 | Very low | 163 Ų | 163 | 136.8 Ų | 136.8 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | 30.3 | 132.1 | 144 | -55.7 | -29.3 | 0 | 0 | 0 | 123.4 | ||||
| 18 | E | 40.7 | Very low | 37.8 | Very low | 162 Ų | 162 | 136 Ų | 136 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | trans | -60.1 | 175.7 | 174.8 | -59.9 | -175.8 | 109.2 | 0 | 0 | 114.9 | ||||
| 19 | P | 42.6 | Very low | 37.6 | Very low | 134 Ų | 134 | 135 Ų | 135 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | -132.2 | 142.9 | 105.7 | 35.3 | -26.7 | 0 | 0 | 0 | 115.8 | |||||
| 20 | T | 33.6 | Very low | 37.4 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 64% | 0.644 | 80% | 0.802 | S | S | * | * | trans | -67 | 149.9 | 177 | -45.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 21 | V | 44.2 | Very low | 37.8 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -54 | 147.5 | 170.6 | -145.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 22 | S | 36.2 | Very low | 37.7 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | -173.1 | 134.9 | 129.3 | -80.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 23 | S | 40.7 | Very low | 38 | Very low | 100 Ų | 100 | 132 Ų | 132 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | -54.8 | 154.9 | 171.9 | 35.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 24 | L | 36.3 | Very low | 37.4 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | 175.9 | 142.5 | 116 | -89.9 | 164.6 | 0 | 0 | 0 | 112.8 | |||||
| 25 | L | 40.9 | Very low | 37.6 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -55.6 | 146.8 | 172.2 | -87.7 | 72.4 | 0 | 0 | 0 | 112.8 | ||||
| 26 | S | 33.1 | Very low | 37.7 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -163.4 | 127.8 | 133 | -80.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 27 | S | 38.6 | Very low | 37.8 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -55.2 | 140.8 | 178.6 | -59.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 28 | S | 36 | Very low | 38.5 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -151.2 | 104.4 | 139.4 | -38.4 | 0 | 0 | 0 | 0 | 109.7 | S30 | S28-S30 PolarHBondContact O-N 3.47Š| ||
| 29 | N | 37.3 | Very low | 38.8 | Very low | 159 Ų | 159 | 130.4 Ų | 130.4 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -65.2 | 118.6 | 163 | -103.4 | -3.1 | 0 | 0 | 0 | 108.4 | ||||
| 30 | S | 35.3 | Very low | 39.2 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -109.8 | 88.6 | 158.7 | 48.4 | 0 | 0 | 0 | 0 | 108.6 | S28 S32 | S28-S30 PolarHBondContact O-N 3.47Å; S30-S32 PolarHBondContact O-N 2.92Å | ||
| 31 | T | 42.6 | Very low | 40.2 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | trans | -66.2 | 96.8 | 162.5 | 37.9 | 0 | 0 | 0 | 0 | 108.9 | H33 | T31-H33 PolarHBondContact O-N 3.48Š| ||
| 32 | S | 31.1 | Very low | 40.9 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -90.2 | 90.5 | 160.7 | 54.3 | 0 | 0 | 0 | 0 | 109 | S30 H34 | S30-S32 PolarHBondContact O-N 2.92Å; S32-H34 PolarHBondContact O-N 3.35Å | ||
| 33 | H | 41.1 | Very low | 42 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | -67.2 | 107.3 | 161.1 | -81.1 | -80.7 | 0 | 0 | 0 | 108.2 | T31 | T31-H33 PolarHBondContact O-N 3.48Š| ||
| 34 | H | 33.1 | Very low | 42.8 | Very low | 188 Ų | 188 | 139.1 Ų | 139.1 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | trans | -110.6 | 103 | 161 | -146.2 | 35.4 | 0 | 0 | 0 | 109.8 | S32 | S32-H34 PolarHBondContact O-N 3.35Š| ||
| 35 | S | 42 | Very low | 43.8 | Very low | 81 Ų | 81 | 138.7 Ų | 138.7 | 57% | 0.566 | 76% | 0.762 | S | S | * | * | trans | -86.9 | 152.8 | 170.8 | -49.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 36 | N | 38.4 | Very low | 44.5 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | trans | 91.3 | 134.8 | 172.1 | -51.7 | -16.4 | 0 | 0 | 0 | 113.1 | ||||
| 37 | S | 35 | Very low | 45.6 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | cis | -159.4 | 158.2 | 16 | -167.9 | 0 | 0 | 0 | 0 | 109.6 | N39 | S37-N39 PolarHBondContact O-N 3.2Š| ||
| 38 | T | 49.2 | Very low | 46.5 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 80% | 0.798 | 73% | 0.731 | S | S | * | * | trans | -24.5 | 117 | 170.5 | 54.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 39 | N | 48 | Very low | 47.1 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | 178.5 | 64.5 | 124.7 | -152 | -18.6 | 0 | 0 | 0 | 109.7 | S37 R41 | S37-N39 PolarHBondContact O-N 3.2Å; N39-R41 PolarHBondContact O-N 2.96Å | |||
| 40 | R | 50.3 | Low | 47.9 | Very low | 216 Ų | 216 | 134.1 Ų | 134.1 | 82% | 0.815 | 70% | 0.7 | S | S | * | * | trans | -82.4 | 97.4 | 168.4 | -82.4 | -173.1 | 177.8 | 162 | 0 | 107.6 | I42 | R40-I42 PolarHBondContact O-N 2.84Š| ||
| 41 | R | 54 | Low | 48.8 | Very low | 221 Ų | 221 | 138.5 Ų | 138.5 | 83% | 0.834 | 70% | 0.7 | S | S | * | * | trans | -60.9 | 93.4 | 159.4 | -156.8 | -178.1 | -157.8 | -174.4 | 5.8 | 106.2 | N39 T43 | N39-R41 PolarHBondContact O-N 2.96Å; R41-T43 PolarHBondContact O-N 2.08Å; R41-T43 VanDerWaalsContact O-N 3.1Å | ||
| 42 | I | 59.5 | Low | 49.2 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 62% | 0.615 | 70% | 0.695 | S | S | * | * | trans | -62.7 | 113.1 | 178.7 | -59.7 | 168.6 | 0 | 0 | 0 | 106.2 | R40 F47 | R40-I42 PolarHBondContact O-N 2.84Å; I42-F47 HydrophobicContact CG2-CD2 4.44Å; I42-F47 HydrophobicContact CG2-CE2 3.66Å; I42-F47 HydrophobicContact CG2-CZ 4.2Å | ||
| 43 | T | 60.2 | Low | 50 | Low | 71 Ų | 71 | 142.2 Ų | 142.2 | 44% | 0.436 | 69% | 0.693 | S | S | . | * | trans | -93.3 | 149.9 | 175.2 | 62.9 | 0 | 0 | 0 | 0 | 108.8 | R41 M45 D46 | R41-T43 PolarHBondContact O-N 2.08Å; R41-T43 VanDerWaalsContact O-N 3.1Å; T43-M45 PolarHBondContact O-N 2.04Å; T43-D46 PolarHBondContact N-OD2 3.06Å; T43-D46 WeakPolarHBondContact O-CB 3.33Å; T43-D46 PolarHBondContact O-N 3.2Å; T43-D46 PolarHBondContact OG1-OD2 3.16Å | ||
| 44 | L | 57.9 | Low | 50.4 | Low | 141 Ų | 141 | 141.8 Ų | 141.8 | 74% | 0.738 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -53.4 | -23 | 179.3 | -106.2 | 163.4 | 0 | 0 | 0 | 113.2 | D46 F47 | L44-D46 VanDerWaalsContact C-N 3.33Å; L44-F47 PolarHBondContact O-N 3.46Å |
| 45 | M | 56.2 | Low | 51.1 | Low | 158 Ų | 158 | 138 Ų | 138 | 78% | 0.778 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -73.4 | -21.4 | 179.1 | -134.2 | 132.9 | 83.2 | 0 | 0 | 113.5 | T43 F47 F48 | T43-M45 PolarHBondContact O-N 2.04Å; M45-F47 VanDerWaalsContact C-N 3.25Å; M45-F47 PolarHBondContact O-N 3.46Å; M45-F48 PolarHBondContact O-N 3.33Å |
| 46 | D | 56.4 | Low | 51.3 | Low | 84 Ų | 84 | 138.5 Ų | 138.5 | 45% | 0.449 | 69% | 0.689 | S | S | . | * | G | 310 helix | trans | -73.6 | -15.2 | 176.7 | -69.7 | -51.1 | 0 | 0 | 0 | 113.1 | T43 L44 | T43-D46 PolarHBondContact N-OD2 3.06Å; T43-D46 WeakPolarHBondContact O-CB 3.33Å; T43-D46 PolarHBondContact O-N 3.2Å; T43-D46 PolarHBondContact OG1-OD2 3.16Å; L44-D46 VanDerWaalsContact C-N 3.33Å |
| 47 | F | 56.3 | Low | 51.7 | Low | 150 Ų | 150 | 137.3 Ų | 137.3 | 66% | 0.658 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -82.5 | -18 | 175.3 | -74.2 | -83.5 | 0 | 0 | 0 | 113.2 | I42 L44 M45 | I42-F47 HydrophobicContact CG2-CD2 4.44Å; I42-F47 HydrophobicContact CG2-CE2 3.66Å; I42-F47 HydrophobicContact CG2-CZ 4.2Å; L44-F47 PolarHBondContact O-N 3.46Å; M45-F47 VanDerWaalsContact C-N 3.25Å; M45-F47 PolarHBondContact O-N 3.46Å |
| 48 | F | 56 | Low | 52.1 | Low | 168 Ų | 168 | 142.7 Ų | 142.7 | 74% | 0.737 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -98.4 | -0.3 | -178 | -77.7 | -82.9 | 0 | 0 | 0 | 113.8 | M45 V50 | M45-F48 PolarHBondContact O-N 3.33Å; F48-V50 PolarHBondContact O-N 2.98Å |
| 49 | D | 49.5 | Very low | 51.9 | Low | 71 Ų | 71 | 144.2 Ų | 144.2 | 38% | 0.38 | 69% | 0.686 | S | S | . | * | trans | -82.4 | 86.8 | 178.4 | -157.1 | 0.3 | 0 | 0 | 0 | 111.1 | R51 K52 | D49-R51 PolarHBondContact O-N 3.02Å; D49-R51 VanDerWaalsContact O-N 3.07Å; D49-R51 IonicContact OD1-NE 3.55Å; D49-K52 PolarHBondContact O-N 3.23Å; D49-K52 VanDerWaalsContact O-N 3.13Å | ||
| 50 | V | 53.2 | Low | 51.5 | Low | 108 Ų | 108 | 145.7 Ų | 145.7 | 66% | 0.655 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -20.6 | 178.3 | -173.3 | 0 | 0 | 0 | 0 | 112 | F48 K52 F53 | F48-V50 PolarHBondContact O-N 2.98Å; V50-K52 VanDerWaalsContact C-N 3.27Å; V50-K52 PolarHBondContact O-N 3.19Å; V50-F53 PolarHBondContact O-N 3.28Å |
| 51 | R | 54.6 | Low | 51 | Low | 202 Ų | 202 | 141.2 Ų | 141.2 | 76% | 0.762 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -71 | -19.5 | 179.1 | -68.1 | -171.4 | -79.3 | -169.1 | -6.5 | 113.8 | D49 | D49-R51 PolarHBondContact O-N 3.02Å; D49-R51 VanDerWaalsContact O-N 3.07Å; D49-R51 IonicContact OD1-NE 3.55Å |
| 52 | K | 51.7 | Low | 50.5 | Low | 131 Ų | 131 | 137.3 Ų | 137.3 | 57% | 0.57 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -82 | -17.7 | 179.2 | -155.8 | 175.3 | -179 | 177.2 | 0 | 113.5 | D49 V50 | D49-K52 PolarHBondContact O-N 3.23Å; D49-K52 VanDerWaalsContact O-N 3.13Å; V50-K52 VanDerWaalsContact C-N 3.27Å; V50-K52 PolarHBondContact O-N 3.19Å |
| 53 | F | 48.6 | Very low | 49.6 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 74% | 0.737 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -89.4 | -17.9 | 177.6 | -78.9 | -81.9 | 0 | 0 | 0 | 113.6 | V50 | V50-F53 PolarHBondContact O-N 3.28Å |
| 54 | Q | 47.7 | Very low | 48.8 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 73% | 0.729 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -86.4 | -23.4 | -179.4 | -82.2 | -166.2 | -28.4 | 0 | 0 | 114.4 | S56 | Q54-S56 PolarHBondContact O-N 3.36Å |
| 55 | S | 48.4 | Very low | 48.4 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 7.7 | -172.7 | 67.8 | 0 | 0 | 0 | 0 | 115.1 | ||
| 56 | S | 46.3 | Very low | 48.1 | Very low | 93 Ų | 93 | 141.4 Ų | 141.4 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.8 | 25.3 | 178.4 | -169.8 | 0 | 0 | 0 | 0 | 113.2 | Q54 R58 | Q54-S56 PolarHBondContact O-N 3.36Å; S56-R58 PolarHBondContact O-N 3.46Å |
| 57 | H | 46.2 | Very low | 47.6 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 61% | 0.611 | 72% | 0.719 | S | S | * | * | trans | -87.7 | 89.3 | 161.9 | -110.1 | -72.8 | 0 | 0 | 0 | 108.3 | Y75 | H57-Y75 PolarHBondContact CE1-OH 3.17Å; H57-Y75 AromaticContact NE2-CZ 3.83Å; H57-Y75 PolarHBondContact NE2-OH 3.09Å | ||
| 58 | R | 44.4 | Very low | 47.1 | Very low | 218 Ų | 218 | 143.2 Ų | 143.2 | 82% | 0.823 | 72% | 0.719 | S | S | * | * | trans | -59.5 | 138.1 | 171.3 | -65.4 | -162.1 | -171.8 | -149.2 | 5.1 | 109.3 | S56 F60 | S56-R58 PolarHBondContact O-N 3.46Å; R58-F60 PolarHBondContact O-N 3.37Å | ||
| 59 | D | 45.4 | Very low | 46.7 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | trans | -45.5 | 106.1 | 165.5 | -49.3 | -65.7 | 0 | 0 | 0 | 109.9 | ||||
| 60 | F | 37.9 | Very low | 46.8 | Very low | 184 Ų | 184 | 141.9 Ų | 141.9 | 81% | 0.807 | 73% | 0.727 | S | S | * | * | trans | -118.9 | 100.4 | 164.5 | -152.8 | -94.1 | 0 | 0 | 0 | 107.1 | R58 V62 | R58-F60 PolarHBondContact O-N 3.37Å; F60-V62 PolarHBondContact O-N 3.38Å; F60-V62 VanDerWaalsContact O-N 3.12Å | ||
| 61 | V | 40.8 | Very low | 46.6 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | trans | -42 | 115.8 | 168.8 | 172.4 | 0 | 0 | 0 | 0 | 108.7 | N63 | V61-N63 VanDerWaalsContact C-N 3.3Å; V61-N63 PolarHBondContact O-N 2.64Å | ||
| 62 | V | 43.3 | Very low | 46.5 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 84% | 0.842 | 69% | 0.694 | S | S | * | * | trans | -69.5 | 91.5 | 170.8 | 176 | 0 | 0 | 0 | 0 | 107 | F60 | F60-V62 PolarHBondContact O-N 3.38Å; F60-V62 VanDerWaalsContact O-N 3.12Å | ||
| 63 | N | 41 | Very low | 46.5 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | trans | -103.8 | 131.3 | 156 | -164.7 | 17.3 | 0 | 0 | 0 | 108 | V61 | V61-N63 VanDerWaalsContact C-N 3.3Å; V61-N63 PolarHBondContact O-N 2.64Å | ||
| 64 | D | 43.5 | Very low | 46.9 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 67% | 0.674 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 67.1 | 115.3 | 178.4 | -80.6 | -38.1 | 0 | 0 | 0 | 118.6 | R66 | D64-R66 PolarHBondContact O-N 3.42Š|
| 65 | G | 49.7 | Very low | 47.3 | Very low | 84 Ų | 84 | 124.5 Ų | 124.5 | 87% | 0.866 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 46.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 66 | R | 48.9 | Very low | 47.8 | Very low | 235 Ų | 235 | 122.6 Ų | 122.6 | 89% | 0.887 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | -4 | 177.1 | -142.4 | 179 | 175.8 | -176.9 | -1.5 | 114 | D64 | D64-R66 PolarHBondContact O-N 3.42Š|
| 67 | L | 45.6 | Very low | 48.5 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 66% | 0.66 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -107.1 | 24.9 | -176.9 | -152.5 | 87.3 | 0 | 0 | 0 | 114.2 | S71 | L67-S71 PolarHBondContact O-OG 2.95Š|
| 68 | H | 45.4 | Very low | 49.4 | Very low | 145 Ų | 145 | 122.6 Ų | 122.6 | 67% | 0.671 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -104.5 | 0.3 | -177.4 | -143.6 | -76.9 | 0 | 0 | 0 | 114.3 | V72 | H68-V72 WeakPolarHBondContact O-CG2 3.5Š|
| 69 | V | 48.8 | Very low | 50.4 | Low | 116 Ų | 116 | 115.2 Ų | 115.2 | 70% | 0.703 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -102.9 | -31.2 | 178.9 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | S73 | V69-S73 PolarHBondContact O-OG 2.88Š|
| 70 | V | 50.7 | Low | 51.3 | Low | 95 Ų | 95 | 111.6 Ų | 111.6 | 58% | 0.576 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -81.3 | -46.4 | -178.1 | -177.5 | 0 | 0 | 0 | 0 | 111.1 | V72 S73 D74 | V70-V72 PolarHBondContact O-N 3.41Å; V70-S73 PolarHBondContact O-N 2.93Å; V70-D74 PolarHBondContact O-N 2.92Å |
| 71 | S | 50.6 | Low | 52.9 | Low | 36 Ų | 36 | 108.1 Ų | 108.1 | 25% | 0.252 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.7 | -39.2 | -176.7 | 49.5 | 0 | 0 | 0 | 0 | 113.6 | L67 S73 D74 Y75 | L67-S71 PolarHBondContact O-OG 2.95Å; S71-S73 PolarHBondContact O-N 3Å; S71-D74 PolarHBondContact O-N 3.2Å; S71-Y75 WeakPolarHBondContact O-CD2 3.15Å; S71-Y75 PolarHBondContact O-N 3.17Å |
| 72 | V | 51.6 | Low | 54.6 | Low | 79 Ų | 79 | 106 Ų | 106 | 48% | 0.479 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.5 | -30.8 | 179 | -175.9 | 0 | 0 | 0 | 0 | 112 | H68 V70 S76 | H68-V72 WeakPolarHBondContact O-CG2 3.5Å; V70-V72 PolarHBondContact O-N 3.41Å; V72-S76 PolarHBondContact O-N 3.09Å |
| 73 | S | 52.6 | Low | 56.5 | Low | 71 Ų | 71 | 104 Ų | 104 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -72.6 | -38.5 | 177.9 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | V69 V70 S71 S76 L77 | V69-S73 PolarHBondContact O-OG 2.88Å; V70-S73 PolarHBondContact O-N 2.93Å; S71-S73 PolarHBondContact O-N 3Å; S73-S76 PolarHBondContact O-N 3.42Å; S73-L77 PolarHBondContact O-N 3.06Å |
| 74 | D | 55.3 | Low | 58.5 | Low | 87 Ų | 87 | 102.1 Ų | 102.1 | 47% | 0.465 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -71.8 | -36.9 | -178.4 | -66.2 | -33.9 | 0 | 0 | 0 | 112.4 | V70 S71 L77 I78 | V70-D74 PolarHBondContact O-N 2.92Å; S71-D74 PolarHBondContact O-N 3.2Å; D74-L77 PolarHBondContact O-N 3.44Å; D74-I78 WeakPolarHBondContact O-CD1 3.12Å; D74-I78 VanDerWaalsContact O-CG1 3.31Å; D74-I78 WeakPolarHBondContact O-CG1 3.23Å; D74-I78 PolarHBondContact O-N 3.35Å; D74-I78 VanDerWaalsContact O-N 3.15Å |
| 75 | Y | 56.7 | Low | 60.2 | Low | 128 Ų | 128 | 101.4 Ų | 101.4 | 50% | 0.502 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.8 | -34.3 | 173.3 | -65.9 | -70.3 | 0 | 0 | 0 | 112.5 | H57 S71 A79 | H57-Y75 PolarHBondContact CE1-OH 3.17Å; H57-Y75 AromaticContact NE2-CZ 3.83Å; H57-Y75 PolarHBondContact NE2-OH 3.09Å; S71-Y75 WeakPolarHBondContact O-CD2 3.15Å; S71-Y75 PolarHBondContact O-N 3.17Å; Y75-A79 PolarHBondContact O-N 2.87Å; Y75-A79 VanDerWaalsContact O-N 3.1Å |
| 76 | S | 59.1 | Low | 61.9 | Low | 67 Ų | 67 | 101.2 Ų | 101.2 | 47% | 0.469 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.8 | -36.4 | 175.3 | -171.5 | 0 | 0 | 0 | 0 | 112.1 | V72 S73 A79 L80 | V72-S76 PolarHBondContact O-N 3.09Å; S73-S76 PolarHBondContact O-N 3.42Å; S76-A79 PolarHBondContact O-N 3.13Å; S76-L80 WeakPolarHBondContact O-CG 3.38Å; S76-L80 PolarHBondContact O-N 3.14Å; S76-L80 VanDerWaalsContact O-N 3.13Å |
| 77 | L | 61.5 | Low | 63.7 | Low | 112 Ų | 112 | 91.6 Ų | 91.6 | 59% | 0.586 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.1 | -39.9 | 177.6 | -160 | 81.1 | 0 | 0 | 0 | 111.3 | S73 D74 A79 L80 L81 | S73-L77 PolarHBondContact O-N 3.06Å; D74-L77 PolarHBondContact O-N 3.44Å; L77-A79 VanDerWaalsContact C-N 3.32Å; L77-A79 PolarHBondContact O-N 2.71Å; L77-L80 PolarHBondContact O-N 3.48Å; L77-L81 PolarHBondContact O-N 2.93Å; L77-L81 VanDerWaalsContact O-N 3.09Å |
| 78 | I | 65.3 | Low | 65.6 | Low | 112 Ų | 112 | 90.5 Ų | 90.5 | 57% | 0.574 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.2 | -36 | 175.1 | -70.4 | 161.5 | 0 | 0 | 0 | 111.2 | D74 L80 L81 P82 | D74-I78 WeakPolarHBondContact O-CD1 3.12Å; D74-I78 VanDerWaalsContact O-CG1 3.31Å; D74-I78 WeakPolarHBondContact O-CG1 3.23Å; D74-I78 PolarHBondContact O-N 3.35Å; D74-I78 VanDerWaalsContact O-N 3.15Å; I78-L80 VanDerWaalsContact C-N 3.32Å; I78-L80 PolarHBondContact O-N 3.43Å; I78-L81 VanDerWaalsContact O-CB 3.28Å; I78-L81 WeakPolarHBondContact O-CB 2.9Å; I78-L81 PolarHBondContact O-N 2.87Å; I78-P82 WeakPolarHBondContact O-CD 3.1Å |
| 79 | A | 65.1 | Low | 67.5 | Low | 64 Ų | 64 | 88.2 Ų | 88.2 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.5 | -26.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y75 S76 L77 P82 | Y75-A79 PolarHBondContact O-N 2.87Å; Y75-A79 VanDerWaalsContact O-N 3.1Å; S76-A79 PolarHBondContact O-N 3.13Å; L77-A79 VanDerWaalsContact C-N 3.32Å; L77-A79 PolarHBondContact O-N 2.71Å; A79-P82 WeakPolarHBondContact O-CD 3.45Å; A79-P82 WeakPolarHBondContact O-CG 3.36Å |
| 80 | L | 64.4 | Low | 69.3 | Low | 85 Ų | 85 | 87.6 Ų | 87.6 | 45% | 0.445 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -85.2 | -19.8 | 176.4 | -68.5 | 170.8 | 0 | 0 | 0 | 113.2 | S76 L77 I78 V83 I84 | S76-L80 WeakPolarHBondContact O-CG 3.38Å; S76-L80 PolarHBondContact O-N 3.14Å; S76-L80 VanDerWaalsContact O-N 3.13Å; L77-L80 PolarHBondContact O-N 3.48Å; I78-L80 VanDerWaalsContact C-N 3.32Å; I78-L80 PolarHBondContact O-N 3.43Å; L80-V83 WeakPolarHBondContact O-CB 3.22Å; L80-V83 PolarHBondContact O-N 3.23Å; L80-I84 HydrophobicContact CB-CD1 4.22Å; L80-I84 WeakPolarHBondContact O-CG1 3.35Å; L80-I84 PolarHBondContact O-N 2.95Å |
| 81 | L | 71.9 | Confident | 70.9 | Confident | 111 Ų | 111 | 86.5 Ų | 86.5 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -49.8 | -47.7 | 177.3 | -157 | 81.1 | 0 | 0 | 0 | 114.2 | L77 I78 V83 I84 L85 | L77-L81 PolarHBondContact O-N 2.93Å; L77-L81 VanDerWaalsContact O-N 3.09Å; I78-L81 VanDerWaalsContact O-CB 3.28Å; I78-L81 WeakPolarHBondContact O-CB 2.9Å; I78-L81 PolarHBondContact O-N 2.87Å; L81-V83 VanDerWaalsContact C-N 3.33Å; L81-V83 PolarHBondContact O-N 3.39Å; L81-I84 PolarHBondContact O-N 3.48Å; L81-L85 WeakPolarHBondContact O-CB 3.11Å; L81-L85 PolarHBondContact O-N 3.18Å |
| 82 | P | 76.8 | Confident | 72.4 | Confident | 75 Ų | 75 | 88.8 Ų | 88.8 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -33.9 | 177 | 24.8 | -34.8 | 0 | 0 | 0 | 113 | I78 A79 L85 V86 | I78-P82 WeakPolarHBondContact O-CD 3.1Å; A79-P82 WeakPolarHBondContact O-CD 3.45Å; A79-P82 WeakPolarHBondContact O-CG 3.36Å; P82-L85 PolarHBondContact O-N 3.48Å; P82-V86 VanDerWaalsContact O-CG2 3.27Å; P82-V86 WeakPolarHBondContact O-CG2 3.32Å; P82-V86 PolarHBondContact O-N 3.32Å |
| 83 | V | 82.9 | Confident | 73.9 | Confident | 97 Ų | 97 | 89.1 Ų | 89.1 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -69.3 | -43.2 | 178.6 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | L80 L81 L85 V86 G87 | L80-V83 WeakPolarHBondContact O-CB 3.22Å; L80-V83 PolarHBondContact O-N 3.23Å; L81-V83 VanDerWaalsContact C-N 3.33Å; L81-V83 PolarHBondContact O-N 3.39Å; V83-L85 VanDerWaalsContact C-N 3.34Å; V83-V86 PolarHBondContact O-N 3.2Å; V83-G87 PolarHBondContact O-N 3.13Å |
| 84 | I | 82 | Confident | 75.1 | Confident | 93 Ų | 93 | 91.8 Ų | 91.8 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 175.5 | -64.2 | 164.7 | 0 | 0 | 0 | 110.2 | L80 L81 V86 G87 L88 | L80-I84 HydrophobicContact CB-CD1 4.22Å; L80-I84 WeakPolarHBondContact O-CG1 3.35Å; L80-I84 PolarHBondContact O-N 2.95Å; L81-I84 PolarHBondContact O-N 3.48Å; I84-V86 PolarHBondContact O-N 3.02Å; I84-G87 PolarHBondContact O-N 2.92Å; I84-L88 HydrophobicContact CG2-CD1 4.1Å; I84-L88 HydrophobicContact CG2-CG 4.4Å; I84-L88 WeakPolarHBondContact O-CB 3.37Å; I84-L88 WeakPolarHBondContact O-CG 3.47Å; I84-L88 PolarHBondContact O-N 3.06Å |
| 85 | L | 80.1 | Confident | 76.1 | Confident | 112 Ų | 112 | 91.6 Ų | 91.6 | 59% | 0.586 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.7 | -44.9 | 178.1 | -164.8 | 105.7 | 0 | 0 | 0 | 111.7 | L81 P82 V83 L88 L89 | L81-L85 WeakPolarHBondContact O-CB 3.11Å; L81-L85 PolarHBondContact O-N 3.18Å; P82-L85 PolarHBondContact O-N 3.48Å; V83-L85 VanDerWaalsContact C-N 3.34Å; L85-L88 PolarHBondContact O-N 3.28Å; L85-L89 WeakPolarHBondContact O-CB 3.2Å; L85-L89 PolarHBondContact O-N 2.88Å |
| 86 | V | 85 | Confident | 76.9 | Confident | 80 Ų | 80 | 89.5 Ų | 89.5 | 49% | 0.485 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 175.8 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | P82 V83 I84 L88 L89 I90 | P82-V86 VanDerWaalsContact O-CG2 3.27Å; P82-V86 WeakPolarHBondContact O-CG2 3.32Å; P82-V86 PolarHBondContact O-N 3.32Å; V83-V86 PolarHBondContact O-N 3.2Å; I84-V86 PolarHBondContact O-N 3.02Å; V86-L88 PolarHBondContact O-N 3.25Å; V86-L89 WeakPolarHBondContact O-CB 3.13Å; V86-L89 PolarHBondContact O-N 3.38Å; V86-I90 HydrophobicContact CG1-CD1 3.83Å; V86-I90 HydrophobicContact CG1-CG1 4.45Å; V86-I90 WeakPolarHBondContact O-CG1 3.5Å; V86-I90 PolarHBondContact O-N 3.49Å |
| 87 | G | 85.8 | Confident | 77.4 | Confident | 32 Ų | 32 | 94.3 Ų | 94.3 | 33% | 0.33 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.9 | -48.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V83 I84 L89 I90 T91 | V83-G87 PolarHBondContact O-N 3.13Å; I84-G87 PolarHBondContact O-N 2.92Å; G87-L89 VanDerWaalsContact C-N 3.32Å; G87-L89 PolarHBondContact O-N 2.77Å; G87-I90 PolarHBondContact O-N 2.76Å; G87-T91 WeakPolarHBondContact O-CG2 3.22Å; G87-T91 PolarHBondContact O-N 3.47Å; G87-T91 PolarHBondContact O-OG1 3.36Å |
| 88 | L | 85.3 | Confident | 77.4 | Confident | 104 Ų | 104 | 96.9 Ų | 96.9 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63 | -37.2 | 177.3 | -73.1 | 175.3 | 0 | 0 | 0 | 112.7 | I84 L85 V86 T91 T92 | I84-L88 HydrophobicContact CG2-CD1 4.1Å; I84-L88 HydrophobicContact CG2-CG 4.4Å; I84-L88 WeakPolarHBondContact O-CB 3.37Å; I84-L88 WeakPolarHBondContact O-CG 3.47Å; I84-L88 PolarHBondContact O-N 3.06Å; L85-L88 PolarHBondContact O-N 3.28Å; V86-L88 PolarHBondContact O-N 3.25Å; L88-T91 VanDerWaalsContact CA-OG1 3.3Å; L88-T91 WeakPolarHBondContact CA-OG1 3.07Å; L88-T91 PolarHBondContact O-OG1 2.95Å; L88-T92 VanDerWaalsContact O-CB 3.24Å; L88-T92 WeakPolarHBondContact O-CB 3.46Å; L88-T92 PolarHBondContact O-N 3.34Å; L88-T92 PolarHBondContact O-OG1 2.84Å |
| 89 | L | 86.9 | Confident | 77.2 | Confident | 96 Ų | 96 | 97.9 Ų | 97.9 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -49.1 | 176.3 | -123.3 | 155.5 | 0 | 0 | 0 | 110.9 | L85 V86 G87 T92 I93 | L85-L89 WeakPolarHBondContact O-CB 3.2Å; L85-L89 PolarHBondContact O-N 2.88Å; V86-L89 WeakPolarHBondContact O-CB 3.13Å; V86-L89 PolarHBondContact O-N 3.38Å; G87-L89 VanDerWaalsContact C-N 3.32Å; G87-L89 PolarHBondContact O-N 2.77Å; L89-T92 PolarHBondContact O-N 3.03Å; L89-I93 HydrophobicContact CD2-CD1 3.76Å; L89-I93 HydrophobicContact CD2-CG1 4.43Å; L89-I93 WeakPolarHBondContact O-CD1 3.1Å; L89-I93 WeakPolarHBondContact O-CG1 3.48Å; L89-I93 PolarHBondContact O-N 2.84Å |
| 90 | I | 85.8 | Confident | 76.9 | Confident | 103 Ų | 103 | 103.2 Ų | 103.2 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | 178.6 | -64.2 | 166.7 | 0 | 0 | 0 | 110.2 | V86 G87 T92 I93 F94 | V86-I90 HydrophobicContact CG1-CD1 3.83Å; V86-I90 HydrophobicContact CG1-CG1 4.45Å; V86-I90 WeakPolarHBondContact O-CG1 3.5Å; V86-I90 PolarHBondContact O-N 3.49Å; G87-I90 PolarHBondContact O-N 2.76Å; I90-T92 VanDerWaalsContact C-N 3.31Å; I90-T92 PolarHBondContact O-N 3.48Å; I90-I93 PolarHBondContact O-N 2.92Å; I90-F94 WeakPolarHBondContact O-CB 3.19Å; I90-F94 PolarHBondContact O-N 2.69Å |
| 91 | T | 83.6 | Confident | 76.4 | Confident | 73 Ų | 73 | 108.1 Ų | 108.1 | 45% | 0.448 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 178.2 | 54.6 | 0 | 0 | 0 | 0 | 111.8 | G87 L88 F94 C95 | G87-T91 WeakPolarHBondContact O-CG2 3.22Å; G87-T91 PolarHBondContact O-N 3.47Å; G87-T91 PolarHBondContact O-OG1 3.36Å; L88-T91 VanDerWaalsContact CA-OG1 3.3Å; L88-T91 WeakPolarHBondContact CA-OG1 3.07Å; L88-T91 PolarHBondContact O-OG1 2.95Å; T91-F94 PolarHBondContact O-N 3.27Å; T91-C95 WeakPolarHBondContact O-CB 3.48Å; T91-C95 PolarHBondContact O-N 2.89Å; T91-C95 PolarHBondContact O-SG 3.5Å |
| 92 | T | 82.1 | Confident | 75.3 | Confident | 83 Ų | 83 | 109.8 Ų | 109.8 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66 | -44.7 | 178.4 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | L88 L89 I90 F94 C95 V96 | L88-T92 VanDerWaalsContact O-CB 3.24Å; L88-T92 WeakPolarHBondContact O-CB 3.46Å; L88-T92 PolarHBondContact O-N 3.34Å; L88-T92 PolarHBondContact O-OG1 2.84Å; L89-T92 PolarHBondContact O-N 3.03Å; I90-T92 VanDerWaalsContact C-N 3.31Å; I90-T92 PolarHBondContact O-N 3.48Å; T92-F94 VanDerWaalsContact C-N 3.34Å; T92-F94 PolarHBondContact O-N 2.84Å; T92-C95 PolarHBondContact O-N 3.4Å; T92-V96 WeakPolarHBondContact O-CB 3.42Å; T92-V96 VanDerWaalsContact O-CG2 3.26Å; T92-V96 WeakPolarHBondContact O-CG2 3.41Å; T92-V96 PolarHBondContact O-N 3.25Å |
| 93 | I | 83.5 | Confident | 74.2 | Confident | 86 Ų | 86 | 113.1 Ų | 113.1 | 44% | 0.441 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 174.6 | -66.9 | 163.6 | 0 | 0 | 0 | 109.5 | L89 I90 C95 V96 Y97 | L89-I93 HydrophobicContact CD2-CD1 3.76Å; L89-I93 HydrophobicContact CD2-CG1 4.43Å; L89-I93 WeakPolarHBondContact O-CD1 3.1Å; L89-I93 WeakPolarHBondContact O-CG1 3.48Å; L89-I93 PolarHBondContact O-N 2.84Å; I90-I93 PolarHBondContact O-N 2.92Å; I93-C95 PolarHBondContact O-N 3.05Å; I93-V96 PolarHBondContact O-N 2.91Å; I93-Y97 HydrophobicContact CG2-CD2 3.57Å; I93-Y97 HydrophobicContact CG2-CE2 3.69Å; I93-Y97 WeakPolarHBondContact O-CB 3.3Å; I93-Y97 VanDerWaalsContact O-CD2 3.29Å; I93-Y97 WeakPolarHBondContact O-CD2 3.38Å; I93-Y97 PolarHBondContact O-N 3.33Å |
| 94 | F | 79.2 | Confident | 72.7 | Confident | 127 Ų | 127 | 115.3 Ų | 115.3 | 56% | 0.557 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.1 | -40.3 | -179.8 | -143.3 | -94.3 | 0 | 0 | 0 | 112.3 | I90 T91 T92 Y97 R98 | I90-F94 WeakPolarHBondContact O-CB 3.19Å; I90-F94 PolarHBondContact O-N 2.69Å; T91-F94 PolarHBondContact O-N 3.27Å; T92-F94 VanDerWaalsContact C-N 3.34Å; T92-F94 PolarHBondContact O-N 2.84Å; F94-Y97 PolarHBondContact O-N 2.95Å; F94-R98 HydrophobicContact CD1-CG 4.08Å; F94-R98 HydrophobicContact CE1-CG 4.18Å; F94-R98 VanDerWaalsContact O-CB 3.23Å; F94-R98 WeakPolarHBondContact O-CB 3.23Å; F94-R98 PolarHBondContact O-N 2.75Å |
| 95 | C | 75.5 | Confident | 71.1 | Confident | 83 Ų | 83 | 114.8 Ų | 114.8 | 56% | 0.561 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63 | -44 | 174.1 | -77 | 0 | 0 | 0 | 0 | 111.3 | T91 T92 I93 F99 | T91-C95 WeakPolarHBondContact O-CB 3.48Å; T91-C95 PolarHBondContact O-N 2.89Å; T91-C95 PolarHBondContact O-SG 3.5Å; T92-C95 PolarHBondContact O-N 3.4Å; I93-C95 PolarHBondContact O-N 3.05Å; C95-F99 WeakPolarHBondContact O-CA 3.37Å; C95-F99 WeakPolarHBondContact O-CB 3.46Å; C95-F99 PolarHBondContact O-N 3.34Å |
| 96 | V | 73.4 | Confident | 69.5 | Low | 84 Ų | 84 | 114.3 Ų | 114.3 | 51% | 0.509 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 176.7 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | T92 I93 F99 R100 | T92-V96 WeakPolarHBondContact O-CB 3.42Å; T92-V96 VanDerWaalsContact O-CG2 3.26Å; T92-V96 WeakPolarHBondContact O-CG2 3.41Å; T92-V96 PolarHBondContact O-N 3.25Å; I93-V96 PolarHBondContact O-N 2.91Å; V96-F99 PolarHBondContact O-N 3.04Å; V96-R100 WeakPolarHBondContact O-CB 3.38Å; V96-R100 PolarHBondContact O-N 3.35Å |
| 97 | Y | 69.8 | Low | 67.7 | Low | 168 Ų | 168 | 118.3 Ų | 118.3 | 66% | 0.659 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.3 | -45.1 | 175.6 | -92.5 | -81.4 | 0 | 0 | 0 | 112.3 | I93 F94 F99 R100 R101 | I93-Y97 HydrophobicContact CG2-CD2 3.57Å; I93-Y97 HydrophobicContact CG2-CE2 3.69Å; I93-Y97 WeakPolarHBondContact O-CB 3.3Å; I93-Y97 VanDerWaalsContact O-CD2 3.29Å; I93-Y97 WeakPolarHBondContact O-CD2 3.38Å; I93-Y97 PolarHBondContact O-N 3.33Å; F94-Y97 PolarHBondContact O-N 2.95Å; Y97-F99 VanDerWaalsContact C-N 3.35Å; Y97-R100 PolarHBondContact O-N 2.88Å; Y97-R101 VanDerWaalsContact O-CB 3.3Å; Y97-R101 WeakPolarHBondContact O-CB 3.07Å; Y97-R101 PolarHBondContact O-N 3.26Å |
| 98 | R | 61.8 | Low | 65.8 | Low | 166 Ų | 166 | 123 Ų | 123 | 63% | 0.626 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.7 | -44.6 | 172.4 | -88.3 | -98.5 | 160.8 | 102 | -8.3 | 110.4 | F94 R100 R101 W102 | F94-R98 HydrophobicContact CD1-CG 4.08Å; F94-R98 HydrophobicContact CE1-CG 4.18Å; F94-R98 VanDerWaalsContact O-CB 3.23Å; F94-R98 WeakPolarHBondContact O-CB 3.23Å; F94-R98 PolarHBondContact O-N 2.75Å; R98-R100 PolarHBondContact O-N 2.74Å; R98-R101 CarbonylContact O-C 3.58Å; R98-R101 PolarHBondContact O-N 3.08Å; R98-W102 WeakPolarHBondContact O-CB 3.5Å; R98-W102 PolarHBondContact O-N 2.73Å |
| 99 | F | 60 | Low | 64 | Low | 134 Ų | 134 | 122.9 Ų | 122.9 | 59% | 0.588 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.5 | -36.6 | 178.4 | -169 | -97.3 | 0 | 0 | 0 | 112.3 | C95 V96 Y97 W102 K103 | C95-F99 WeakPolarHBondContact O-CA 3.37Å; C95-F99 WeakPolarHBondContact O-CB 3.46Å; C95-F99 PolarHBondContact O-N 3.34Å; V96-F99 PolarHBondContact O-N 3.04Å; Y97-F99 VanDerWaalsContact C-N 3.35Å; F99-W102 CarbonylContact O-C 3.54Å; F99-W102 PolarHBondContact O-N 2.79Å; F99-K103 VanDerWaalsContact O-CB 3.28Å; F99-K103 WeakPolarHBondContact O-CB 3.22Å; F99-K103 PolarHBondContact O-N 3.42Å |
| 100 | R | 58.6 | Low | 62.1 | Low | 176 Ų | 176 | 121.3 Ų | 121.3 | 66% | 0.664 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.8 | -39.2 | 175.5 | -159.1 | 171.9 | -174.8 | 164.2 | 1 | 111.5 | V96 Y97 R98 W102 K103 H104 | V96-R100 WeakPolarHBondContact O-CB 3.38Å; V96-R100 PolarHBondContact O-N 3.35Å; Y97-R100 PolarHBondContact O-N 2.88Å; R98-R100 PolarHBondContact O-N 2.74Å; R100-W102 VanDerWaalsContact C-N 3.32Å; R100-K103 PolarHBondContact O-N 2.84Å; R100-H104 PolarHBondContact O-N 3.49Å; R100-H104 VanDerWaalsContact O-N 3.08Å |
| 101 | R | 54 | Low | 60.3 | Low | 187 Ų | 187 | 122.5 Ų | 122.5 | 71% | 0.706 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.4 | -34.2 | 170.8 | -170.5 | 172 | -178.8 | 170.8 | -0.2 | 111.9 | Y97 R98 N105 | Y97-R101 VanDerWaalsContact O-CB 3.3Å; Y97-R101 WeakPolarHBondContact O-CB 3.07Å; Y97-R101 PolarHBondContact O-N 3.26Å; R98-R101 CarbonylContact O-C 3.58Å; R98-R101 PolarHBondContact O-N 3.08Å; R101-N105 PolarHBondContact O-N 3.36Å; R101-N105 PolarHBondContact O-ND2 2.76Å |
| 102 | W | 50.1 | Low | 58.6 | Low | 146 Ų | 146 | 124 Ų | 124 | 55% | 0.553 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -75.3 | -32.7 | 175.2 | -149.4 | 61.5 | 0 | 0 | 0 | 112 | R98 F99 R100 N105 K106 | R98-W102 WeakPolarHBondContact O-CB 3.5Å; R98-W102 PolarHBondContact O-N 2.73Å; F99-W102 CarbonylContact O-C 3.54Å; F99-W102 PolarHBondContact O-N 2.79Å; R100-W102 VanDerWaalsContact C-N 3.32Å; W102-N105 CarbonylContact O-C 3.52Å; W102-N105 PolarHBondContact O-N 3.37Å; W102-K106 HydrophobicContact CE3-CD 4.11Å; W102-K106 VanDerWaalsContact CH2-CE 3.44Å; W102-K106 HydrophobicContact CZ3-CD 4.18Å; W102-K106 WeakPolarHBondContact O-CB 3.38Å; W102-K106 WeakPolarHBondContact O-CG 3.22Å; W102-K106 PolarHBondContact O-N 2.92Å |
| 103 | K | 52.6 | Low | 56.9 | Low | 146 Ų | 146 | 125.3 Ų | 125.3 | 64% | 0.635 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.7 | -35.8 | 173 | -167.8 | 178.1 | -179.2 | 179.5 | 0 | 111.7 | F99 R100 | F99-K103 VanDerWaalsContact O-CB 3.28Å; F99-K103 WeakPolarHBondContact O-CB 3.22Å; F99-K103 PolarHBondContact O-N 3.42Å; R100-K103 PolarHBondContact O-N 2.84Å |
| 104 | H | 50.9 | Low | 55.4 | Low | 142 Ų | 142 | 123.2 Ų | 123.2 | 66% | 0.657 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.9 | -40 | 169 | -92.2 | -86.3 | 0 | 0 | 0 | 112.5 | R100 K106 | R100-H104 PolarHBondContact O-N 3.49Å; R100-H104 VanDerWaalsContact O-N 3.08Å; H104-K106 VanDerWaalsContact C-N 3.35Å |
| 105 | N | 49 | Very low | 54 | Low | 82 Ų | 82 | 123.4 Ų | 123.4 | 44% | 0.439 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.2 | -28.2 | 173.9 | -88.3 | -85.4 | 0 | 0 | 0 | 113.4 | R101 W102 Q108 L109 | R101-N105 PolarHBondContact O-N 3.36Å; R101-N105 PolarHBondContact O-ND2 2.76Å; W102-N105 CarbonylContact O-C 3.52Å; W102-N105 PolarHBondContact O-N 3.37Å; N105-Q108 PolarHBondContact O-N 2.79Å; N105-L109 WeakPolarHBondContact O-CB 3.28Å; N105-L109 PolarHBondContact O-N 3.4Å |
| 106 | K | 46.3 | Very low | 52.6 | Low | 103 Ų | 103 | 127.2 Ų | 127.2 | 45% | 0.448 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -70.4 | -29.2 | 177.5 | -90.6 | -172.1 | 168.8 | -177.9 | 0 | 113.5 | W102 H104 Q108 L109 A110 | W102-K106 HydrophobicContact CE3-CD 4.11Å; W102-K106 VanDerWaalsContact CH2-CE 3.44Å; W102-K106 HydrophobicContact CZ3-CD 4.18Å; W102-K106 WeakPolarHBondContact O-CB 3.38Å; W102-K106 WeakPolarHBondContact O-CG 3.22Å; W102-K106 PolarHBondContact O-N 2.92Å; H104-K106 VanDerWaalsContact C-N 3.35Å; K106-Q108 VanDerWaalsContact C-N 3.32Å; K106-L109 PolarHBondContact O-N 3.19Å; K106-A110 WeakPolarHBondContact O-CB 3.32Å; K106-A110 PolarHBondContact O-N 3.33Å |
| 107 | K | 48.8 | Very low | 51.4 | Low | 163 Ų | 163 | 129.6 Ų | 129.6 | 71% | 0.709 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.8 | -38.4 | 170.7 | -87.8 | -172 | 170.4 | -170.5 | 0 | 111.3 | E111 | K107-E111 PolarHBondContact O-N 2.85Å |
| 108 | Q | 44.9 | Very low | 50.4 | Low | 131 Ų | 131 | 126.1 Ų | 126.1 | 61% | 0.612 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73.7 | -31.2 | 174.3 | -65.5 | -174.9 | -26 | 0 | 0 | 112.8 | N105 K106 L112 | N105-Q108 PolarHBondContact O-N 2.79Å; K106-Q108 VanDerWaalsContact C-N 3.32Å; Q108-L112 WeakPolarHBondContact O-CB 3.29Å; Q108-L112 PolarHBondContact O-N 3.41Å |
| 109 | L | 46.6 | Very low | 49.8 | Very low | 101 Ų | 101 | 121.6 Ų | 121.6 | 53% | 0.529 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -75.9 | -29.3 | 176.5 | -161.7 | 70.6 | 0 | 0 | 0 | 112.9 | N105 K106 L112 N113 | N105-L109 WeakPolarHBondContact O-CB 3.28Å; N105-L109 PolarHBondContact O-N 3.4Å; K106-L109 PolarHBondContact O-N 3.19Å; L109-L112 HydrophobicContact CD1-CD2 4.07Å; L109-L112 PolarHBondContact O-N 3.44Å; L109-N113 WeakPolarHBondContact O-CB 3.26Å; L109-N113 PolarHBondContact O-N 2.77Å |
| 110 | A | 47.6 | Very low | 49 | Very low | 63 Ų | 63 | 121.8 Ų | 121.8 | 52% | 0.521 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.8 | -37.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | K106 N113 A114 | K106-A110 WeakPolarHBondContact O-CB 3.32Å; K106-A110 PolarHBondContact O-N 3.33Å; A110-N113 PolarHBondContact O-N 3.37Å; A110-A114 PolarHBondContact O-N 3.24Å |
| 111 | E | 47.3 | Very low | 48 | Very low | 129 Ų | 129 | 117.6 Ų | 117.6 | 60% | 0.603 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.6 | -38.6 | 169.4 | -73 | 174.8 | -176.9 | 0 | 0 | 111.2 | K107 A114 F115 | K107-E111 PolarHBondContact O-N 2.85Å; E111-A114 PolarHBondContact O-N 3.35Å; E111-F115 WeakPolarHBondContact O-CD2 3.27Å; E111-F115 PolarHBondContact O-N 2.94Å |
| 112 | L | 48.5 | Very low | 47.4 | Very low | 103 Ų | 103 | 109.7 Ų | 109.7 | 54% | 0.539 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.3 | -36.1 | 175.1 | -161.2 | 76.8 | 0 | 0 | 0 | 113.1 | Q108 L109 F115 Y116 | Q108-L112 WeakPolarHBondContact O-CB 3.29Å; Q108-L112 PolarHBondContact O-N 3.41Å; L109-L112 HydrophobicContact CD1-CD2 4.07Å; L109-L112 PolarHBondContact O-N 3.44Å; L112-F115 WeakPolarHBondContact O-CB 3.3Å; L112-F115 PolarHBondContact O-N 2.87Å; L112-Y116 PolarHBondContact O-N 2.92Å |
| 113 | N | 46.4 | Very low | 46.9 | Very low | 111 Ų | 111 | 108.6 Ų | 108.6 | 59% | 0.594 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.8 | -38.3 | 174.4 | -166.3 | 55.5 | 0 | 0 | 0 | 111.3 | L109 A110 F115 Y116 E117 | L109-N113 WeakPolarHBondContact O-CB 3.26Å; L109-N113 PolarHBondContact O-N 2.77Å; A110-N113 PolarHBondContact O-N 3.37Å; N113-F115 VanDerWaalsContact C-N 3.35Å; N113-Y116 PolarHBondContact O-N 3.27Å; N113-E117 WeakPolarHBondContact O-CB 3.46Å; N113-E117 PolarHBondContact O-N 3.48Å |
| 114 | A | 51.7 | Low | 46.5 | Very low | 42 Ų | 42 | 103.7 Ų | 103.7 | 35% | 0.347 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64 | -39.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A110 E111 E117 I118 | A110-A114 PolarHBondContact O-N 3.24Å; E111-A114 PolarHBondContact O-N 3.35Å; A114-E117 PolarHBondContact O-N 3.42Å; A114-I118 WeakPolarHBondContact O-CB 3.21Å; A114-I118 VanDerWaalsContact O-CD1 3.22Å; A114-I118 WeakPolarHBondContact O-CD1 3.24Å; A114-I118 WeakPolarHBondContact O-CG1 3.45Å; A114-I118 PolarHBondContact O-N 2.96Å |
| 115 | F | 49.7 | Very low | 46.1 | Very low | 131 Ų | 131 | 102.6 Ų | 102.6 | 58% | 0.575 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.6 | -38.3 | 171.7 | -84.2 | -70.5 | 0 | 0 | 0 | 112.7 | E111 L112 N113 I118 V119 | E111-F115 WeakPolarHBondContact O-CD2 3.27Å; E111-F115 PolarHBondContact O-N 2.94Å; L112-F115 WeakPolarHBondContact O-CB 3.3Å; L112-F115 PolarHBondContact O-N 2.87Å; N113-F115 VanDerWaalsContact C-N 3.35Å; F115-I118 PolarHBondContact O-N 3.3Å; F115-V119 WeakPolarHBondContact O-CB 3.48Å; F115-V119 VanDerWaalsContact O-CG2 3.22Å; F115-V119 WeakPolarHBondContact O-CG2 3.33Å; F115-V119 PolarHBondContact O-N 2.87Å |
| 116 | Y | 47.8 | Very low | 45.7 | Very low | 164 Ų | 164 | 103.5 Ų | 103.5 | 64% | 0.643 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.7 | -41.2 | 177.7 | -140.6 | -90.6 | 0 | 0 | 0 | 111.6 | L112 N113 I118 V119 E120 | L112-Y116 PolarHBondContact O-N 2.92Å; N113-Y116 PolarHBondContact O-N 3.27Å; Y116-I118 VanDerWaalsContact C-N 3.34Å; Y116-I118 PolarHBondContact O-N 3.4Å; Y116-V119 PolarHBondContact O-N 3.48Å; Y116-E120 VanDerWaalsContact O-CB 3.32Å; Y116-E120 WeakPolarHBondContact O-CB 3.34Å; Y116-E120 PolarHBondContact O-N 2.97Å |
| 117 | E | 46.3 | Very low | 45.7 | Very low | 134 Ų | 134 | 101.4 Ų | 101.4 | 63% | 0.626 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.4 | -34.8 | 174.9 | -162.1 | -179 | -165.6 | 0 | 0 | 111.9 | N113 A114 S121 | N113-E117 WeakPolarHBondContact O-CB 3.46Å; N113-E117 PolarHBondContact O-N 3.48Å; A114-E117 PolarHBondContact O-N 3.42Å; E117-S121 WeakPolarHBondContact O-CB 3.45Å; E117-S121 PolarHBondContact O-N 2.96Å; E117-S121 PolarHBondContact O-OG 3.15Å |
| 118 | I | 50.3 | Low | 45.3 | Very low | 95 Ų | 95 | 97.3 Ų | 97.3 | 49% | 0.487 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.9 | -33.7 | 173.6 | -67.9 | 161.6 | 0 | 0 | 0 | 111.8 | A114 F115 Y116 S121 | A114-I118 WeakPolarHBondContact O-CB 3.21Å; A114-I118 VanDerWaalsContact O-CD1 3.22Å; A114-I118 WeakPolarHBondContact O-CD1 3.24Å; A114-I118 WeakPolarHBondContact O-CG1 3.45Å; A114-I118 PolarHBondContact O-N 2.96Å; F115-I118 PolarHBondContact O-N 3.3Å; Y116-I118 VanDerWaalsContact C-N 3.34Å; Y116-I118 PolarHBondContact O-N 3.4Å; I118-S121 WeakPolarHBondContact CA-OG 3.43Å; I118-S121 PolarHBondContact O-OG 2.86Å |
| 119 | V | 48.7 | Very low | 45.1 | Very low | 71 Ų | 71 | 98 Ų | 98 | 43% | 0.43 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -73.9 | -39.4 | 175.8 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | F115 Y116 S122 | F115-V119 WeakPolarHBondContact O-CB 3.48Å; F115-V119 VanDerWaalsContact O-CG2 3.22Å; F115-V119 WeakPolarHBondContact O-CG2 3.33Å; F115-V119 PolarHBondContact O-N 2.87Å; Y116-V119 PolarHBondContact O-N 3.48Å; V119-S122 PolarHBondContact O-N 3.32Å; V119-S122 PolarHBondContact O-OG 3.42Å |
| 120 | E | 42.5 | Very low | 44.7 | Very low | 138 Ų | 138 | 99.6 Ų | 99.6 | 65% | 0.645 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -77.3 | -29.5 | -179.3 | -166.2 | 162.6 | -168.4 | 0 | 0 | 113.1 | Y116 S122 | Y116-E120 VanDerWaalsContact O-CB 3.32Å; Y116-E120 WeakPolarHBondContact O-CB 3.34Å; Y116-E120 PolarHBondContact O-N 2.97Å; E120-S122 PolarHBondContact O-N 3.23Å |
| 121 | S | 38.8 | Very low | 44.7 | Very low | 88 Ų | 88 | 104.8 Ų | 104.8 | 62% | 0.615 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 0.4 | 174 | 58.8 | 0 | 0 | 0 | 0 | 114.4 | E117 I118 | E117-S121 WeakPolarHBondContact O-CB 3.45Å; E117-S121 PolarHBondContact O-N 2.96Å; E117-S121 PolarHBondContact O-OG 3.15Å; I118-S121 WeakPolarHBondContact CA-OG 3.43Å; I118-S121 PolarHBondContact O-OG 2.86Å |
| 122 | S | 40.7 | Very low | 44.3 | Very low | 21 Ų | 21 | 105.4 Ų | 105.4 | 15% | 0.147 | 59% | 0.586 | C | S | . | * | S | Bend | trans | -82 | 124.1 | 174.1 | 71.9 | 0 | 0 | 0 | 0 | 110.3 | V119 E120 C124 I147 | V119-S122 PolarHBondContact O-N 3.32Å; V119-S122 PolarHBondContact O-OG 3.42Å; E120-S122 PolarHBondContact O-N 3.23Å; S122-C124 PolarHBondContact O-N 2.66Å; S122-I147 WeakPolarHBondContact OG-CD1 3.41Å |
| 123 | P | 40.3 | Very low | 44.3 | Very low | 123 Ų | 123 | 104 Ų | 104 | 80% | 0.799 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -71.8 | 7.2 | -169.8 | 29 | -33.9 | 0 | 0 | 0 | 114 | ||
| 124 | C | 43.2 | Very low | 44.2 | Very low | 43 Ų | 43 | 105.6 Ų | 105.6 | 29% | 0.291 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -81.4 | -13.3 | -177.3 | -72.2 | 0 | 0 | 0 | 0 | 114.4 | S122 A126 C144 I147 | S122-C124 PolarHBondContact O-N 2.66Å; C124-A126 PolarHBondContact O-N 3.04Å; C124-C144 HydrophobicContact CB-CB 3.99Å; C124-C144 WeakPolarHBondContact CB-SG 3.41Å; C124-C144 WeakPolarHBondContact SG-CB 3.45Å; C124-C144 CovalentContact SG-SG 2.04Å; C124-C144 PolarHBondContact SG-SG 3.33Å; C124-I147 HydrophobicContact CB-CD1 4.29Å |
| 125 | L | 43.4 | Very low | 43.8 | Very low | 119 Ų | 119 | 110.2 Ų | 110.2 | 62% | 0.623 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -78.4 | 11.8 | -177.7 | -106.2 | 151.3 | 0 | 0 | 0 | 114.2 | S127 | L125-S127 PolarHBondContact O-N 3.44Š|
| 126 | A | 40.8 | Very low | 43.7 | Very low | 100 Ų | 100 | 107.6 Ų | 107.6 | 83% | 0.826 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -69.1 | -9.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | C124 | C124-A126 PolarHBondContact O-N 3.04Š|
| 127 | S | 45.6 | Very low | 43.6 | Very low | 60 Ų | 60 | 109.1 Ų | 109.1 | 42% | 0.42 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -97.7 | -6.1 | -172.5 | -156.5 | 0 | 0 | 0 | 0 | 115.5 | L125 K129 | L125-S127 PolarHBondContact O-N 3.44Å; S127-K129 PolarHBondContact O-N 2.92Å |
| 128 | G | 39.6 | Very low | 43.5 | Very low | 76 Ų | 76 | 108.9 Ų | 108.9 | 78% | 0.784 | 61% | 0.607 | S | S | * | * | trans | 57.3 | 16.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 129 | K | 40.7 | Very low | 43.5 | Very low | 147 Ų | 147 | 106.8 Ų | 106.8 | 64% | 0.639 | 60% | 0.598 | S | S | * | * | trans | -111.5 | 132.6 | 179.7 | -72.1 | 175.5 | -176.2 | 179.9 | 0 | 110 | S127 Y131 | S127-K129 PolarHBondContact O-N 2.92Å; K129-Y131 HydrophobicContact CB-CE2 4.4Å; K129-Y131 WeakPolarHBondContact O-CD2 3.36Å; K129-Y131 PolarHBondContact O-N 3.44Å; K129-Y131 VanDerWaalsContact O-N 3.16Å | ||
| 130 | P | 40.1 | Very low | 43.4 | Very low | 134 Ų | 134 | 112.7 Ų | 112.7 | 87% | 0.87 | 62% | 0.621 | S | S | * | * | trans | -69.7 | 110.5 | 174.4 | 27.7 | -31.7 | 0 | 0 | 0 | 109.3 | L132 | P130-L132 PolarHBondContact O-N 2.93Š| ||
| 131 | Y | 45.9 | Very low | 43.6 | Very low | 172 Ų | 172 | 116.1 Ų | 116.1 | 68% | 0.675 | 63% | 0.634 | S | S | * | * | trans | -83 | 112 | 176.5 | -73.2 | -88.6 | 0 | 0 | 0 | 110 | K129 | K129-Y131 HydrophobicContact CB-CE2 4.4Å; K129-Y131 WeakPolarHBondContact O-CD2 3.36Å; K129-Y131 PolarHBondContact O-N 3.44Å; K129-Y131 VanDerWaalsContact O-N 3.16Å | ||
| 132 | L | 40.4 | Very low | 44 | Very low | 141 Ų | 141 | 114.3 Ų | 114.3 | 74% | 0.738 | 62% | 0.621 | S | S | * | * | trans | -86.8 | 104.8 | 168.5 | -156.6 | 98.8 | 0 | 0 | 0 | 108.1 | P130 Q134 | P130-L132 PolarHBondContact O-N 2.93Å; L132-Q134 VanDerWaalsContact C-N 3.33Å; L132-Q134 HydrophobicContact CD2-CB 4.36Å; L132-Q134 PolarHBondContact O-N 3.5Å | ||
| 133 | I | 47.2 | Very low | 44.4 | Very low | 74 Ų | 74 | 122.9 Ų | 122.9 | 38% | 0.379 | 66% | 0.659 | S | S | . | * | trans | -75.8 | 88.2 | 177 | -60 | 161.1 | 0 | 0 | 0 | 107.5 | T148 V151 | I133-T148 HydrophobicContact CD1-CG2 4.18Å; I133-T148 HydrophobicContact CG2-CG2 4.23Å; I133-V151 HydrophobicContact CD1-CB 4.1Å; I133-V151 HydrophobicContact CD1-CG1 4.11Å; I133-V151 HydrophobicContact CD1-CG2 4.11Å | ||
| 134 | Q | 45.5 | Very low | 44.7 | Very low | 145 Ų | 145 | 118.7 Ų | 118.7 | 68% | 0.678 | 63% | 0.632 | S | S | * | * | trans | -85.9 | -20.4 | -173.6 | -164 | 151 | 14.1 | 0 | 0 | 113.7 | L132 | L132-Q134 VanDerWaalsContact C-N 3.33Å; L132-Q134 HydrophobicContact CD2-CB 4.36Å; L132-Q134 PolarHBondContact O-N 3.5Å | ||
| 135 | H | 41.5 | Very low | 44.8 | Very low | 138 Ų | 138 | 119.8 Ų | 119.8 | 64% | 0.639 | 64% | 0.635 | S | S | * | * | trans | -149.1 | 126.6 | 177.3 | -80.4 | -73.5 | 0 | 0 | 0 | 112.4 | K137 D138 | H135-K137 PolarHBondContact O-N 3.42Å; H135-D138 PolarHBondContact O-N 3.01Å | ||
| 136 | C | 48.3 | Very low | 44.9 | Very low | 76 Ų | 76 | 124.4 Ų | 124.4 | 51% | 0.514 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.1 | 14 | 177.6 | -138.5 | 0 | 0 | 0 | 0 | 113 | V139 C152 | C136-V139 WeakPolarHBondContact O-CG2 3.36Å; C136-C152 WeakPolarHBondContact CB-SG 3.35Å; C136-C152 WeakPolarHBondContact SG-CB 3.37Å; C136-C152 CovalentContact SG-SG 2.08Å; C136-C152 PolarHBondContact SG-SG 3.03Å |
| 137 | K | 45.3 | Very low | 45.3 | Very low | 197 Ų | 197 | 122.1 Ų | 122.1 | 86% | 0.857 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -13.7 | 176.8 | -98.7 | -171.5 | 175.6 | -174.1 | 0 | 114 | H135 V139 | H135-K137 PolarHBondContact O-N 3.42Å; K137-V139 VanDerWaalsContact C-N 3.3Å; K137-V139 PolarHBondContact O-N 3.09Å |
| 138 | D | 45.2 | Very low | 45.4 | Very low | 129 Ų | 129 | 120 Ų | 120 | 69% | 0.69 | 60% | 0.603 | S | S | * | * | trans | -94.8 | 19.8 | 179.9 | -62.8 | -40.5 | 0 | 0 | 0 | 113.1 | H135 E140 | H135-D138 PolarHBondContact O-N 3.01Å; D138-E140 VanDerWaalsContact C-N 3.31Å; D138-E140 PolarHBondContact O-N 3.22Å | ||
| 139 | V | 49.8 | Very low | 45.8 | Very low | 50 Ų | 50 | 124.2 Ų | 124.2 | 30% | 0.303 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -71.7 | -19.4 | -171.6 | 174.5 | 0 | 0 | 0 | 0 | 113.3 | C136 K137 K141 T148 | C136-V139 WeakPolarHBondContact O-CG2 3.36Å; K137-V139 VanDerWaalsContact C-N 3.3Å; K137-V139 PolarHBondContact O-N 3.09Å; V139-K141 VanDerWaalsContact C-N 3.26Å; V139-K141 PolarHBondContact O-N 3.49Å; V139-T148 HydrophobicContact CG2-CG2 4.35Å |
| 140 | E | 45.9 | Very low | 46.1 | Very low | 196 Ų | 196 | 120.5 Ų | 120.5 | 92% | 0.916 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -76.5 | -2 | -173.8 | -71.6 | -163.1 | 157.1 | 0 | 0 | 115.3 | D138 | D138-E140 VanDerWaalsContact C-N 3.31Å; D138-E140 PolarHBondContact O-N 3.22Å |
| 141 | K | 47.9 | Very low | 46.5 | Very low | 209 Ų | 209 | 118.4 Ų | 118.4 | 91% | 0.909 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -131.3 | 11.2 | -175 | -91.3 | -177.2 | 180 | 174.7 | 0 | 117.5 | V139 | V139-K141 VanDerWaalsContact C-N 3.26Å; V139-K141 PolarHBondContact O-N 3.49Å |
| 142 | S | 47 | Very low | 46.3 | Very low | 51 Ų | 51 | 112.9 Ų | 112.9 | 36% | 0.357 | 56% | 0.562 | S | S | . | * | trans | -107.3 | 124.1 | 176.2 | 72 | 0 | 0 | 0 | 0 | 112.2 | C144 | S142-C144 PolarHBondContact O-N 3.42Š| ||
| 143 | E | 48.2 | Very low | 46.5 | Very low | 201 Ų | 201 | 110.6 Ų | 110.6 | 94% | 0.939 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 7 | 172.4 | -84.8 | -177.9 | 144.9 | 0 | 0 | 114.8 | ||
| 144 | C | 47.8 | Very low | 46.2 | Very low | 35 Ų | 35 | 112.1 Ų | 112.1 | 24% | 0.236 | 57% | 0.568 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -118.6 | 35.8 | -175.4 | -47.1 | 0 | 0 | 0 | 0 | 111.8 | C124 S142 R146 I147 T148 | C124-C144 HydrophobicContact CB-CB 3.99Å; C124-C144 WeakPolarHBondContact CB-SG 3.41Å; C124-C144 WeakPolarHBondContact SG-CB 3.45Å; C124-C144 CovalentContact SG-SG 2.04Å; C124-C144 PolarHBondContact SG-SG 3.33Å; S142-C144 PolarHBondContact O-N 3.42Å; C144-R146 PolarHBondContact O-N 3.01Å; C144-I147 HydrophobicContact CB-CD1 4.26Å; C144-I147 PolarHBondContact O-N 3.13Å; C144-T148 PolarHBondContact O-N 2.98Å; C144-T148 PolarHBondContact O-OG1 3.33Å |
| 145 | D | 44.5 | Very low | 46.3 | Very low | 65 Ų | 65 | 109 Ų | 109 | 35% | 0.348 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -51.5 | -27.7 | -178.5 | -169.9 | 13.7 | 0 | 0 | 0 | 113.5 | R149 | D145-R149 VanDerWaalsContact CG-NH2 3.27Å; D145-R149 WeakPolarHBondContact O-CG 3.28Å; D145-R149 PolarHBondContact O-N 3.36Å; D145-R149 IonicContact OD1-CZ 3.42Å; D145-R149 IonicContact OD1-NE 3.69Å; D145-R149 PolarHBondContact OD1-NE 3.4Å; D145-R149 IonicContact OD1-NH2 2.88Å; D145-R149 PolarHBondContact OD1-NH2 3.48Å; D145-R149 IonicContact OD2-CZ 2.64Å; D145-R149 IonicContact OD2-NE 3.56Å; D145-R149 IonicContact OD2-NH2 3.67Å; D145-R149 PolarHBondContact OD2-NH2 3.47Å |
| 146 | R | 45.9 | Very low | 46.5 | Very low | 217 Ų | 217 | 111.2 Ų | 111.2 | 82% | 0.819 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -73.2 | -30.7 | 177.5 | -69.7 | 179.2 | 70.4 | -162.2 | 0.5 | 114.3 | C144 | C144-R146 PolarHBondContact O-N 3.01Å |
| 147 | I | 48.9 | Very low | 46.4 | Very low | 51 Ų | 51 | 113.1 Ų | 113.1 | 26% | 0.262 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -85.5 | -40.4 | -178.2 | -53.5 | 169.8 | 0 | 0 | 0 | 109.4 | S122 C124 C144 R149 A150 V151 | S122-I147 WeakPolarHBondContact OG-CD1 3.41Å; C124-I147 HydrophobicContact CB-CD1 4.29Å; C144-I147 HydrophobicContact CB-CD1 4.26Å; C144-I147 PolarHBondContact O-N 3.13Å; I147-R149 VanDerWaalsContact C-N 3.31Å; I147-R149 PolarHBondContact O-N 3.26Å; I147-A150 WeakPolarHBondContact O-CB 3.22Å; I147-A150 PolarHBondContact O-N 3.33Å; I147-A150 VanDerWaalsContact O-N 3.09Å; I147-V151 PolarHBondContact O-N 3.37Å |
| 148 | T | 48.4 | Very low | 46.1 | Very low | 17 Ų | 17 | 106.3 Ų | 106.3 | 10% | 0.104 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -65.6 | -34.3 | -178.6 | -39.5 | 0 | 0 | 0 | 0 | 112 | I133 V139 C144 A150 V151 C152 | I133-T148 HydrophobicContact CD1-CG2 4.18Å; I133-T148 HydrophobicContact CG2-CG2 4.23Å; V139-T148 HydrophobicContact CG2-CG2 4.35Å; C144-T148 PolarHBondContact O-N 2.98Å; C144-T148 PolarHBondContact O-OG1 3.33Å; T148-A150 VanDerWaalsContact C-N 3.32Å; T148-A150 PolarHBondContact O-N 3.31Å; T148-V151 PolarHBondContact O-N 3.1Å; T148-C152 PolarHBondContact O-N 3.25Å |
| 149 | R | 48.5 | Very low | 46.2 | Very low | 163 Ų | 163 | 107.5 Ų | 107.5 | 62% | 0.615 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -71.2 | -21.3 | 173.7 | -72.6 | -167.6 | -115.6 | 158.8 | -10.2 | 114.5 | D145 I147 | D145-R149 VanDerWaalsContact CG-NH2 3.27Å; D145-R149 WeakPolarHBondContact O-CG 3.28Å; D145-R149 PolarHBondContact O-N 3.36Å; D145-R149 IonicContact OD1-CZ 3.42Å; D145-R149 IonicContact OD1-NE 3.69Å; D145-R149 PolarHBondContact OD1-NE 3.4Å; D145-R149 IonicContact OD1-NH2 2.88Å; D145-R149 PolarHBondContact OD1-NH2 3.48Å; D145-R149 IonicContact OD2-CZ 2.64Å; D145-R149 IonicContact OD2-NE 3.56Å; D145-R149 IonicContact OD2-NH2 3.67Å; D145-R149 PolarHBondContact OD2-NH2 3.47Å; I147-R149 VanDerWaalsContact C-N 3.31Å; I147-R149 PolarHBondContact O-N 3.26Å |
| 150 | A | 46.2 | Very low | 46.1 | Very low | 70 Ų | 70 | 114 Ų | 114 | 58% | 0.579 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -78.9 | -24 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | I147 T148 | I147-A150 WeakPolarHBondContact O-CB 3.22Å; I147-A150 PolarHBondContact O-N 3.33Å; I147-A150 VanDerWaalsContact O-N 3.09Å; T148-A150 VanDerWaalsContact C-N 3.32Å; T148-A150 PolarHBondContact O-N 3.31Å |
| 151 | V | 47.8 | Very low | 46.3 | Very low | 90 Ų | 90 | 111.5 Ų | 111.5 | 55% | 0.545 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -88.8 | -28.9 | 179.6 | 179.8 | 0 | 0 | 0 | 0 | 112.5 | I133 I147 T148 V153 | I133-V151 HydrophobicContact CD1-CB 4.1Å; I133-V151 HydrophobicContact CD1-CG1 4.11Å; I133-V151 HydrophobicContact CD1-CG2 4.11Å; I147-V151 PolarHBondContact O-N 3.37Å; T148-V151 PolarHBondContact O-N 3.1Å; V151-V153 VanDerWaalsContact C-N 3.3Å; V151-V153 PolarHBondContact O-N 3.15Å |
| 152 | C | 42.3 | Very low | 46 | Very low | 55 Ų | 55 | 109.4 Ų | 109.4 | 37% | 0.372 | 57% | 0.57 | S | S | . | * | trans | -87.5 | 43.3 | 174.9 | -73.7 | 0 | 0 | 0 | 0 | 113.4 | C136 T148 | C136-C152 WeakPolarHBondContact CB-SG 3.35Å; C136-C152 WeakPolarHBondContact SG-CB 3.37Å; C136-C152 CovalentContact SG-SG 2.08Å; C136-C152 PolarHBondContact SG-SG 3.03Å; T148-C152 PolarHBondContact O-N 3.25Å | ||
| 153 | V | 44.2 | Very low | 45.7 | Very low | 93 Ų | 93 | 111.6 Ų | 111.6 | 56% | 0.564 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -85.4 | 129.9 | 166.1 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | V151 T155 | V151-V153 VanDerWaalsContact C-N 3.3Å; V151-V153 PolarHBondContact O-N 3.15Å; V153-T155 PolarHBondContact O-N 3.36Å |
| 154 | P | 40.9 | Very low | 45.2 | Very low | 107 Ų | 107 | 109.6 Ų | 109.6 | 70% | 0.695 | 58% | 0.578 | S | S | * | * | trans | -62 | 105.9 | -177.5 | -18.2 | 29.7 | 0 | 0 | 0 | 110.9 | Q156 | P154-Q156 PolarHBondContact O-N 2.95Š| ||
| 155 | T | 48.9 | Very low | 44.8 | Very low | 79 Ų | 79 | 113.2 Ų | 113.2 | 49% | 0.485 | 60% | 0.6 | S | S | . | * | trans | -73.2 | 22.1 | 178.8 | 49.8 | 0 | 0 | 0 | 0 | 113.9 | V153 S157 | V153-T155 PolarHBondContact O-N 3.36Å; T155-S157 PolarHBondContact O-N 3.4Å | ||
| 156 | Q | 44.9 | Very low | 44.7 | Very low | 184 Ų | 184 | 115.8 Ų | 115.8 | 86% | 0.86 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -84.5 | -0.8 | -170 | -71.2 | -95.1 | -15.7 | 0 | 0 | 114.5 | P154 | P154-Q156 PolarHBondContact O-N 2.95Š|
| 157 | S | 45.4 | Very low | 44.7 | Very low | 116 Ų | 116 | 115.2 Ų | 115.2 | 81% | 0.811 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -137 | 4.6 | 179.3 | 63.2 | 0 | 0 | 0 | 0 | 116.4 | T155 | T155-S157 PolarHBondContact O-N 3.4Š|
| 158 | S | 40.4 | Very low | 44 | Very low | 54 Ų | 54 | 117.4 Ų | 117.4 | 38% | 0.378 | 65% | 0.65 | S | S | . | * | trans | -91.3 | 119.7 | 174.4 | -176.3 | 0 | 0 | 0 | 0 | 111.2 | F160 F161 | S158-F160 PolarHBondContact O-N 2.96Å; S158-F160 VanDerWaalsContact O-N 3.09Å; S158-F160 PolarHBondContact OG-N 3.33Å; S158-F161 PolarHBondContact O-N 3.26Å; S158-F161 VanDerWaalsContact O-N 3.17Å | ||
| 159 | I | 46.4 | Very low | 43.3 | Very low | 154 Ų | 154 | 126.2 Ų | 126.2 | 79% | 0.79 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -15.4 | 177 | -48.5 | 171.3 | 0 | 0 | 0 | 111.4 | ||
| 160 | F | 48.4 | Very low | 43 | Very low | 186 Ų | 186 | 124.2 Ų | 124.2 | 82% | 0.816 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -9.1 | 178.7 | -80.7 | -82.8 | 0 | 0 | 0 | 115.1 | S158 | S158-F160 PolarHBondContact O-N 2.96Å; S158-F160 VanDerWaalsContact O-N 3.09Å; S158-F160 PolarHBondContact OG-N 3.33Å |
| 161 | F | 49.9 | Very low | 42.2 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | trans | -133.8 | 68 | 178 | -67.6 | -80.4 | 0 | 0 | 0 | 110.4 | S158 P163 | S158-F161 PolarHBondContact O-N 3.26Å; S158-F161 VanDerWaalsContact O-N 3.17Å; F161-P163 WeakPolarHBondContact O-CD 3.31Å | ||
| 162 | Q | 40.4 | Very low | 41.8 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | trans | -85.2 | 115.2 | 161.6 | -73.4 | -177.3 | -22 | 0 | 0 | 108.5 | I164 | Q162-I164 PolarHBondContact O-N 3.1Š| ||
| 163 | P | 40.9 | Very low | 41.3 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 130.6 | 159.7 | -7.1 | 23.4 | 0 | 0 | 0 | 107.8 | F161 | F161-P163 WeakPolarHBondContact O-CD 3.31Š|
| 164 | I | 38.8 | Very low | 40.8 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 82% | 0.815 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 127.1 | 171.8 | -61.2 | 158.4 | 0 | 0 | 0 | 108 | Q162 P166 | Q162-I164 PolarHBondContact O-N 3.1Å; I164-P166 WeakPolarHBondContact O-CD 2.91Å |
| 165 | P | 39.6 | Very low | 40.8 | Very low | 110 Ų | 110 | 139 Ų | 139 | 71% | 0.714 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 136.8 | -169.3 | 32.8 | -31.7 | 0 | 0 | 0 | 110.7 | ||
| 166 | P | 42.6 | Very low | 40.1 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -105.9 | 88.8 | 148.3 | 32.7 | -19.4 | 0 | 0 | 0 | 107.1 | I164 | I164-P166 WeakPolarHBondContact O-CD 2.91Š| ||
| 167 | K | 44.2 | Very low | 39.8 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | trans | 49.5 | 92.8 | 158.5 | -59.6 | 177.3 | 176.6 | 173.2 | 0 | 117.1 | ||||
| 168 | A | 35.8 | Very low | 39.5 | Very low | 97 Ų | 97 | 142.5 Ų | 142.5 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | -161.3 | 110.6 | 152.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 169 | K | 33.4 | Very low | 39.3 | Very low | 201 Ų | 201 | 148 Ų | 148 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | 22.2 | 128 | 141.3 | -61.9 | 173.1 | -179.9 | 178.5 | 0 | 119.7 | ||||
| 170 | S | 41 | Very low | 39.2 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -59.2 | 133.6 | 168 | 56.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 171 | V | 30.5 | Very low | 39.1 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | trans | -123 | 120.6 | 161.8 | 177.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 172 | R | 38.5 | Very low | 38.6 | Very low | 228 Ų | 228 | 138.7 Ų | 138.7 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | -89.2 | 126.5 | 178.6 | -166.2 | -178.6 | -167 | 174.7 | 3.6 | 107.7 | ||||
| 173 | C | 32.1 | Very low | 39 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | -118.8 | 113.1 | 164.2 | -73.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 174 | N | 34.4 | Very low | 39.2 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -61.8 | 151.7 | 152.3 | -77.1 | -28.3 | 0 | 0 | 0 | 107.6 | ||||
| 175 | S | 39.3 | Very low | 39.2 | Very low | 98 Ų | 98 | 131 Ų | 131 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | S | Bend | cis | -148.7 | 158.5 | 21.3 | 52.8 | 0 | 0 | 0 | 0 | 109.8 | ||
| 176 | D | 35.8 | Very low | 39.7 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 81% | 0.807 | 73% | 0.729 | S | S | * | * | trans | 65.1 | 75 | 169.7 | -54 | -27.2 | 0 | 0 | 0 | 117 | L178 | D176-L178 PolarHBondContact O-N 3.49Š| ||
| 177 | V | 38.3 | Very low | 40 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 80% | 0.8 | 72% | 0.724 | S | S | * | * | trans | -72.4 | 91.3 | 163.3 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | K179 | V177-K179 VanDerWaalsContact C-N 3.31Å; V177-K179 HydrophobicContact CG1-CB 4.29Å; V177-K179 PolarHBondContact O-N 2.86Å | ||
| 178 | L | 38.7 | Very low | 40 | Very low | 171 Ų | 171 | 126.5 Ų | 126.5 | 90% | 0.895 | 71% | 0.71 | S | S | * | * | trans | -70.7 | 99.6 | 154.7 | -81.9 | 165.3 | 0 | 0 | 0 | 107.2 | D176 A180 | D176-L178 PolarHBondContact O-N 3.49Å; L178-A180 PolarHBondContact O-N 2.93Å | ||
| 179 | K | 37.1 | Very low | 40.3 | Very low | 170 Ų | 170 | 129 Ų | 129 | 74% | 0.739 | 71% | 0.705 | S | S | * | * | trans | -71.5 | 89.7 | -175.2 | -160.3 | -178 | -172.2 | 178.9 | 0 | 108.6 | V177 V181 | V177-K179 VanDerWaalsContact C-N 3.31Å; V177-K179 HydrophobicContact CG1-CB 4.29Å; V177-K179 PolarHBondContact O-N 2.86Å; K179-V181 HydrophobicContact CD-CG2 4.22Å; K179-V181 HydrophobicContact CG-CG2 3.92Å; K179-V181 PolarHBondContact O-N 2.92Å; K179-V181 VanDerWaalsContact O-N 3.14Å | ||
| 180 | A | 43.2 | Very low | 40.9 | Very low | 62 Ų | 62 | 126 Ų | 126 | 51% | 0.512 | 69% | 0.692 | S | S | . | * | trans | -72.5 | 103.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | L178 N182 | L178-A180 PolarHBondContact O-N 2.93Å; A180-N182 VanDerWaalsContact C-N 3.32Å | ||
| 181 | V | 46.6 | Very low | 41.1 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -85.8 | -8.4 | -176 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | K179 | K179-V181 HydrophobicContact CD-CG2 4.22Å; K179-V181 HydrophobicContact CG-CG2 3.92Å; K179-V181 PolarHBondContact O-N 2.92Å; K179-V181 VanDerWaalsContact O-N 3.14Å | ||
| 182 | N | 38.9 | Very low | 41.6 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 57% | 0.572 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -143.6 | 139 | -173.3 | -147.6 | -7.2 | 0 | 0 | 0 | 113.4 | A180 S184 E185 | A180-N182 VanDerWaalsContact C-N 3.32Å; N182-S184 PolarHBondContact O-N 3.41Å; N182-E185 PolarHBondContact O-N 3.35Å |
| 183 | A | 48.5 | Very low | 41.8 | Very low | 82 Ų | 82 | 119.4 Ų | 119.4 | 68% | 0.678 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -61.1 | -16.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 184 | S | 45.8 | Very low | 42.2 | Very low | 73 Ų | 73 | 118.9 Ų | 118.9 | 51% | 0.51 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -69.6 | -28.4 | 174.3 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | N182 | N182-S184 PolarHBondContact O-N 3.41Å |
| 185 | E | 39.3 | Very low | 42.6 | Very low | 105 Ų | 105 | 117.9 Ų | 117.9 | 49% | 0.491 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -76.7 | -31.3 | 177.7 | -80 | -179.9 | 145.5 | 0 | 0 | 112.1 | N182 L187 F188 H189 | N182-E185 PolarHBondContact O-N 3.35Å; E185-L187 VanDerWaalsContact C-N 3.34Å; E185-L187 PolarHBondContact O-N 3.18Å; E185-F188 PolarHBondContact O-N 2.95Å; E185-H189 PolarHBondContact O-CD2 3.12Å |
| 186 | V | 50.2 | Low | 42.7 | Very low | 74 Ų | 74 | 120.8 Ų | 120.8 | 45% | 0.448 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -64.6 | -41.1 | 176.9 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | F188 H189 F190 | V186-F188 VanDerWaalsContact C-N 3.3Å; V186-F188 PolarHBondContact O-N 3.13Å; V186-H189 PolarHBondContact O-N 3.07Å; V186-F190 HydrophobicContact CG1-CD2 4.09Å; V186-F190 HydrophobicContact CG1-CE2 3.66Å; V186-F190 WeakPolarHBondContact O-CD2 3.44Å; V186-F190 PolarHBondContact O-N 2.89Å |
| 187 | L | 48.1 | Very low | 43 | Very low | 126 Ų | 126 | 120.9 Ų | 120.9 | 66% | 0.66 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -65.9 | -30.4 | 178.3 | -159.9 | 74.5 | 0 | 0 | 0 | 112.9 | E185 H189 F190 A191 | E185-L187 VanDerWaalsContact C-N 3.34Å; E185-L187 PolarHBondContact O-N 3.18Å; L187-H189 VanDerWaalsContact C-N 3.33Å; L187-H189 PolarHBondContact O-N 2.73Å; L187-F190 PolarHBondContact O-N 3.18Å; L187-A191 PolarHBondContact O-N 3.49Å |
| 188 | F | 44.2 | Very low | 43.2 | Very low | 139 Ų | 139 | 124.7 Ų | 124.7 | 61% | 0.61 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -67.1 | -34.5 | 178.5 | -136.2 | -87.4 | 0 | 0 | 0 | 112.1 | E185 V186 F190 | E185-F188 PolarHBondContact O-N 2.95Å; V186-F188 VanDerWaalsContact C-N 3.3Å; V186-F188 PolarHBondContact O-N 3.13Å; F188-F190 VanDerWaalsContact C-N 3.33Å |
| 189 | H | 42.6 | Very low | 43.1 | Very low | 150 Ų | 150 | 123.1 Ų | 123.1 | 69% | 0.694 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71 | -25.3 | 173.1 | -73.6 | -64.3 | 0 | 0 | 0 | 113.5 | E185 V186 L187 | E185-H189 PolarHBondContact O-CD2 3.12Å; V186-H189 PolarHBondContact O-N 3.07Å; L187-H189 VanDerWaalsContact C-N 3.33Å; L187-H189 PolarHBondContact O-N 2.73Å |
| 190 | F | 45.4 | Very low | 43.6 | Very low | 139 Ų | 139 | 122 Ų | 122 | 61% | 0.61 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -82.9 | -31.3 | 175.6 | -75.4 | -73 | 0 | 0 | 0 | 113.3 | V186 L187 F188 | V186-F190 HydrophobicContact CG1-CD2 4.09Å; V186-F190 HydrophobicContact CG1-CE2 3.66Å; V186-F190 WeakPolarHBondContact O-CD2 3.44Å; V186-F190 PolarHBondContact O-N 2.89Å; L187-F190 PolarHBondContact O-N 3.18Å; F188-F190 VanDerWaalsContact C-N 3.33Å |
| 191 | A | 44.6 | Very low | 43.1 | Very low | 84 Ų | 84 | 126.1 Ų | 126.1 | 69% | 0.694 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -79 | -13.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L187 | L187-A191 PolarHBondContact O-N 3.49Å |
| 192 | Q | 42.2 | Very low | 42.8 | Very low | 139 Ų | 139 | 127 Ų | 127 | 65% | 0.65 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 11.4 | 177.5 | -83.8 | 176.3 | -21.1 | 0 | 0 | 114.1 | ||
| 193 | L | 42.1 | Very low | 43 | Very low | 119 Ų | 119 | 128 Ų | 128 | 62% | 0.623 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -79.5 | 121.4 | 168.8 | -74.8 | 157.4 | 0 | 0 | 0 | 108.2 | T195 | L193-T195 PolarHBondContact O-N 3.03Å; L193-T195 VanDerWaalsContact O-N 3.13Å |
| 194 | P | 40.9 | Very low | 42.6 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 70% | 0.695 | 69% | 0.689 | S | S | * | * | trans | -58.5 | 124.3 | 178.2 | 23.1 | -30.7 | 0 | 0 | 0 | 108.3 | I196 | P194-I196 PolarHBondContact O-N 3.07Š| ||
| 195 | T | 41.8 | Very low | 42.8 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | trans | -55.5 | 107 | 161.6 | 39.6 | 0 | 0 | 0 | 0 | 106.3 | L193 E197 | L193-T195 PolarHBondContact O-N 3.03Å; L193-T195 VanDerWaalsContact O-N 3.13Å; T195-E197 PolarHBondContact O-N 3.32Å | ||
| 196 | I | 43.2 | Very low | 42.7 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 82% | 0.815 | 72% | 0.724 | S | S | * | * | trans | -68.1 | 84 | 170.1 | -57 | 171.8 | 0 | 0 | 0 | 105.2 | P194 K198 | P194-I196 PolarHBondContact O-N 3.07Å; I196-K198 PolarHBondContact O-N 3.2Å | ||
| 197 | E | 40.7 | Very low | 42.4 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 72% | 0.715 | 74% | 0.74 | S | S | * | * | trans | -54.7 | 122.2 | 160.1 | -82.8 | -171.5 | 150.8 | 0 | 0 | 106.4 | T195 I199 | T195-E197 PolarHBondContact O-N 3.32Å; E197-I199 PolarHBondContact O-N 3.46Å | ||
| 198 | K | 43.2 | Very low | 42 | Very low | 212 Ų | 212 | 145.1 Ų | 145.1 | 92% | 0.922 | 75% | 0.746 | S | S | * | * | trans | -58.6 | 89 | 171.4 | -92.8 | 179.5 | 170 | 177.6 | 0 | 108.5 | I196 | I196-K198 PolarHBondContact O-N 3.2Š| ||
| 199 | I | 36.4 | Very low | 41.6 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | -94.8 | 97.5 | 160.8 | -61.2 | 174.8 | 0 | 0 | 0 | 106 | E197 N201 | E197-I199 PolarHBondContact O-N 3.46Å; I199-N201 PolarHBondContact O-N 3.38Å; I199-N201 VanDerWaalsContact O-N 3.13Å | ||
| 200 | N | 46.6 | Very low | 41.3 | Very low | 147 Ų | 147 | 149 Ų | 149 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | -61.5 | 105.2 | 162.3 | -176.8 | 22.4 | 0 | 0 | 0 | 107.8 | ||||
| 201 | N | 33.9 | Very low | 41.1 | Very low | 147 Ų | 147 | 149.5 Ų | 149.5 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | -162.5 | 131.3 | 149.5 | -107.1 | -20.1 | 0 | 0 | 0 | 113.2 | I199 | I199-N201 PolarHBondContact O-N 3.38Å; I199-N201 VanDerWaalsContact O-N 3.13Å | ||
| 202 | N | 40.8 | Very low | 40.5 | Very low | 138 Ų | 138 | 153.6 Ų | 153.6 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | -47.5 | 143.5 | 169.4 | -88 | -33.4 | 0 | 0 | 0 | 113.1 | ||||
| 203 | N | 43 | Very low | 40.2 | Very low | 129 Ų | 129 | 158.1 Ų | 158.1 | 69% | 0.69 | 79% | 0.786 | S | S | * | * | trans | 45.2 | 98.2 | 145.5 | -56.7 | -20.2 | 0 | 0 | 0 | 117.3 | ||||
| 204 | N | 40.6 | Very low | 39.9 | Very low | 159 Ų | 159 | 161.7 Ų | 161.7 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | 162.8 | 142.1 | 116.1 | -83.9 | -34.9 | 0 | 0 | 0 | 111.9 | |||||
| 205 | K | 48.5 | Very low | 39.8 | Very low | 194 Ų | 194 | 164.5 Ų | 164.5 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | -10.4 | 129.7 | 167.9 | -70.9 | 171.3 | 174.9 | 172.3 | 0 | 116.1 | ||||
| 206 | K | 37.1 | Very low | 39.7 | Very low | 205 Ų | 205 | 166.4 Ų | 166.4 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | trans | -165.2 | 127.1 | 134.1 | -100 | 149.5 | -165.9 | -172.9 | 0 | 111.9 | ||||
| 207 | S | 44.6 | Very low | 39.6 | Very low | 110 Ų | 110 | 166.8 Ų | 166.8 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | -50.8 | 130.8 | 163.6 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 208 | L | 39.7 | Very low | 39.5 | Very low | 152 Ų | 152 | 167.6 Ų | 167.6 | 80% | 0.796 | 83% | 0.827 | S | S | * | * | trans | -102.8 | 100.4 | 171.1 | -86.4 | 161.8 | 0 | 0 | 0 | 108.8 | ||||
| 209 | H | 35.8 | Very low | 39.3 | Very low | 170 Ų | 170 | 164.9 Ų | 164.9 | 79% | 0.787 | 82% | 0.821 | S | S | * | * | trans | -60 | 127 | 164.3 | -114.1 | -89.7 | 0 | 0 | 0 | 109.3 | ||||
| 210 | F | 37.2 | Very low | 39.4 | Very low | 200 Ų | 200 | 166.6 Ų | 166.6 | 88% | 0.877 | 83% | 0.829 | S | S | * | * | trans | -80.3 | 119.8 | 172.6 | -66.4 | -85.8 | 0 | 0 | 0 | 109.5 | ||||
| 211 | I | 40.8 | Very low | 38.9 | Very low | 150 Ų | 150 | 168 Ų | 168 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | trans | -95.9 | 111.8 | 167.6 | -64.7 | 174 | 0 | 0 | 0 | 107.5 | R213 | I211-R213 HydrophobicContact CG2-CG 4.49Š| ||
| 212 | H | 31.2 | Very low | 39.3 | Very low | 169 Ų | 169 | 169.6 Ų | 169.6 | 78% | 0.782 | 84% | 0.835 | S | S | * | * | trans | -83 | 109.4 | 168.7 | -164.2 | -84.3 | 0 | 0 | 0 | 107.8 | ||||
| 213 | R | 36.8 | Very low | 39.2 | Very low | 235 Ų | 235 | 172.3 Ų | 172.3 | 89% | 0.887 | 84% | 0.843 | S | S | * | * | trans | -90 | 116.8 | 164.3 | -90.5 | -168.8 | 172.7 | 156.3 | -0.9 | 108.3 | I211 | I211-R213 HydrophobicContact CG2-CG 4.49Š| ||
| 214 | V | 35.2 | Very low | 38.9 | Very low | 194 Ų | 194 | 176.2 Ų | 176.2 | 100% | 1.176 | 86% | 0.857 | S | S | * | * | trans | -66.5 | 0 | 167.9 | -177.5 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 214 of 214 residues in 108.4 ms
(Link to these results)