| 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 | 41.2 | Very low | 41.6 | Very low | 221 Ų | 221 | 178.5 Ų | 178.5 | 100% | 1.089 | 88% | 0.877 | S | S | * | * | 0 | 96.6 | 0 | -73.2 | -57.2 | -177.7 | 0 | 0 | 106.3 | |||||
| 2 | D | 38.9 | Very low | 41.1 | Very low | 156 Ų | 156 | 177.6 Ų | 177.6 | 83% | 0.834 | 87% | 0.869 | S | S | * | * | trans | -78.5 | 130.9 | -154.1 | -60.1 | -101 | 0 | 0 | 0 | 112.5 | ||||
| 3 | Y | 40.6 | Very low | 40.6 | Very low | 237 Ų | 237 | 173.4 Ų | 173.4 | 93% | 0.929 | 86% | 0.859 | S | S | * | * | trans | -96.2 | 116.3 | 161.8 | -76.2 | -88.6 | 0 | 0 | 0 | 107.7 | ||||
| 4 | K | 45.4 | Very low | 40.7 | Very low | 205 Ų | 205 | 169.7 Ų | 169.7 | 89% | 0.891 | 85% | 0.854 | S | S | * | * | trans | -129 | 117.9 | 168.5 | -163.5 | 170.4 | -177.7 | 175.6 | 0 | 110.5 | ||||
| 5 | M | 41.8 | Very low | 40.3 | Very low | 182 Ų | 182 | 173 Ų | 173 | 90% | 0.897 | 86% | 0.855 | S | S | * | * | trans | -28.3 | 138.1 | 175 | -67.3 | -71.2 | -172.9 | 0 | 0 | 117.5 | G7 | M5-G7 PolarHBondContact O-N 2.96Š| ||
| 6 | D | 39 | Very low | 40.5 | Very low | 173 Ų | 173 | 170.3 Ų | 170.3 | 93% | 0.925 | 85% | 0.854 | S | S | * | * | trans | -58.7 | 118 | 162.6 | -70 | -63.7 | 0 | 0 | 0 | 111.2 | ||||
| 7 | G | 39.3 | Very low | 40.1 | Very low | 67 Ų | 67 | 170.4 Ų | 170.4 | 69% | 0.691 | 86% | 0.856 | S | S | * | * | trans | -91.8 | 133.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | M5 | M5-G7 PolarHBondContact O-N 2.96Š| ||
| 8 | Y | 44.1 | Very low | 39.7 | Very low | 234 Ų | 234 | 166.2 Ų | 166.2 | 92% | 0.918 | 85% | 0.852 | S | S | * | * | trans | -24.5 | 125.4 | 163 | -102.7 | -112.9 | 0 | 0 | 0 | 114.6 | ||||
| 9 | L | 41.9 | Very low | 39.4 | Very low | 170 Ų | 170 | 166.3 Ų | 166.3 | 89% | 0.89 | 86% | 0.855 | S | S | * | * | trans | -118.7 | 115.1 | 159.5 | -136.5 | 87.9 | 0 | 0 | 0 | 110.4 | ||||
| 10 | D | 44.3 | Very low | 39.2 | Very low | 130 Ų | 130 | 168.5 Ų | 168.5 | 70% | 0.695 | 86% | 0.858 | S | S | * | * | trans | -50.6 | 125.7 | 174.6 | -156.2 | -109.4 | 0 | 0 | 0 | 112.4 | Q12 | D10-Q12 PolarHBondContact O-N 2.94Å; D10-Q12 VanDerWaalsContact O-N 3.14Å | ||
| 11 | Q | 40.9 | Very low | 38.9 | Very low | 189 Ų | 189 | 166.1 Ų | 166.1 | 88% | 0.883 | 86% | 0.857 | S | S | * | * | trans | -83.9 | 90.3 | 177.6 | -161.7 | 151.1 | 21.8 | 0 | 0 | 109.5 | V13 | Q11-V13 PolarHBondContact O-N 3.09Š| ||
| 12 | Q | 35.2 | Very low | 38.7 | Very low | 167 Ų | 167 | 165.4 Ų | 165.4 | 78% | 0.78 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 130 | 173.4 | -71.2 | 173.4 | 33.8 | 0 | 0 | 111.5 | D10 | D10-Q12 PolarHBondContact O-N 2.94Å; D10-Q12 VanDerWaalsContact O-N 3.14Å |
| 13 | V | 35.1 | Very low | 38.5 | Very low | 123 Ų | 123 | 161.7 Ų | 161.7 | 75% | 0.745 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 131.9 | 175 | -167.9 | 0 | 0 | 0 | 0 | 109.5 | Q11 | Q11-V13 PolarHBondContact O-N 3.09Š|
| 14 | P | 41.6 | Very low | 38.4 | Very low | 122 Ų | 122 | 158 Ų | 158 | 79% | 0.792 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 128 | -177.8 | -17.2 | 30.8 | 0 | 0 | 0 | 113.7 | ||
| 15 | Y | 35.3 | Very low | 38.3 | Very low | 219 Ų | 219 | 150.3 Ų | 150.3 | 86% | 0.859 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 142.3 | 167.3 | -67.6 | -91 | 0 | 0 | 0 | 111.4 | L17 | Y15-L17 PolarHBondContact O-N 2.94Š|
| 16 | P | 42.5 | Very low | 38.9 | Very low | 130 Ų | 130 | 147.8 Ų | 147.8 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 117.2 | 175.9 | 30.4 | -30 | 0 | 0 | 0 | 111.4 | ||
| 17 | L | 34 | Very low | 39.5 | Very low | 171 Ų | 171 | 146.7 Ų | 146.7 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 129.5 | 169.9 | -113.9 | 135.3 | 0 | 0 | 0 | 110.2 | Y15 | Y15-L17 PolarHBondContact O-N 2.94Š|
| 18 | A | 34.2 | Very low | 39.8 | Very low | 95 Ų | 95 | 148.3 Ų | 148.3 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 119.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 19 | N | 32.9 | Very low | 40.1 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 119.6 | 168.5 | -104.1 | -8.9 | 0 | 0 | 0 | 110.8 | ||
| 20 | K | 35.9 | Very low | 40.5 | Very low | 209 Ų | 209 | 145.1 Ų | 145.1 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 129 | 168.1 | -76.7 | 172.7 | 173.6 | 172.1 | 0 | 109.5 | ||
| 21 | S | 31.6 | Very low | 40.8 | Very low | 120 Ų | 120 | 144 Ų | 144 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -124.1 | 129.9 | 154.5 | 64.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 22 | Q | 38.8 | Very low | 41.3 | Very low | 206 Ų | 206 | 140.3 Ų | 140.3 | 96% | 0.963 | 77% | 0.769 | S | S | * | * | trans | -80.6 | 138 | 179.5 | -77.3 | 169.4 | -67.2 | 0 | 0 | 110.7 | ||||
| 23 | G | 34.1 | Very low | 41.8 | Very low | 77 Ų | 77 | 135 Ų | 135 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | trans | 176.7 | 83.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 24 | N | 39 | Very low | 42.3 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | trans | -79.6 | 137.6 | -178.1 | -86.9 | -32 | 0 | 0 | 0 | 112.5 | ||||
| 25 | G | 43.6 | Very low | 42.5 | Very low | 42 Ų | 42 | 134.3 Ų | 134.3 | 43% | 0.433 | 74% | 0.74 | S | S | . | * | trans | -130.6 | 138.7 | 152 | 0 | 0 | 0 | 0 | 0 | 109.6 | L27 N28 | G25-L27 PolarHBondContact O-N 3.16Å; G25-L27 VanDerWaalsContact O-N 3.1Å; G25-N28 PolarHBondContact O-N 3.17Å | ||
| 26 | P | 52.5 | Low | 42.9 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 84% | 0.844 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -69.8 | -8 | -169.9 | 25.7 | -32.3 | 0 | 0 | 0 | 114.9 | ||
| 27 | L | 52 | Low | 43 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -81.2 | -27.4 | -179.3 | -129.9 | 160.3 | 0 | 0 | 0 | 113 | G25 L31 | G25-L27 PolarHBondContact O-N 3.16Å; G25-L27 VanDerWaalsContact O-N 3.1Å; L27-L31 PolarHBondContact O-N 3.15Å |
| 28 | N | 46.7 | Very low | 43.3 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 55% | 0.545 | 73% | 0.729 | S | S | . | * | H | α-helix | trans | -78 | -25.9 | -177.8 | -120.4 | -30.8 | 0 | 0 | 0 | 112.8 | G25 M32 | G25-N28 PolarHBondContact O-N 3.17Å; N28-M32 WeakPolarHBondContact O-CB 3.08Å; N28-M32 VanDerWaalsContact O-CG 3.25Å; N28-M32 WeakPolarHBondContact O-CG 3.43Å; N28-M32 PolarHBondContact O-N 3.38Å; N28-M32 VanDerWaalsContact O-N 3.13Å |
| 29 | R | 49.2 | Very low | 43.8 | Very low | 198 Ų | 198 | 140.7 Ų | 140.7 | 75% | 0.747 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -71.6 | -34.8 | 177.7 | -168.7 | -179.3 | -83.3 | -179.7 | -5.9 | 111.9 | A33 | R29-A33 WeakPolarHBondContact O-CB 3.25Å; R29-A33 PolarHBondContact O-N 2.89Å |
| 30 | L | 50.7 | Low | 44.1 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 72% | 0.723 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -73.7 | -37.7 | 177.8 | -146.1 | 92.4 | 0 | 0 | 0 | 111.7 | A33 A34 | L30-A33 PolarHBondContact O-N 3.01Å; L30-A34 PolarHBondContact O-N 3.02Å |
| 31 | L | 51.1 | Low | 44.2 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 56% | 0.56 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -68.8 | -38.2 | 178.3 | -172.3 | 62.8 | 0 | 0 | 0 | 112.3 | L27 A34 K35 | L27-L31 PolarHBondContact O-N 3.15Å; L31-A34 PolarHBondContact O-N 3.21Å; L31-K35 WeakPolarHBondContact O-CB 3.49Å; L31-K35 PolarHBondContact O-N 3.09Å; L31-K35 VanDerWaalsContact O-N 3.09Å |
| 32 | M | 50.6 | Low | 44.8 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 55% | 0.547 | 72% | 0.719 | S | S | . | * | H | α-helix | trans | -73.3 | -27 | 175.5 | -67.1 | -67.4 | 175.9 | 0 | 0 | 113.1 | N28 R36 | N28-M32 WeakPolarHBondContact O-CB 3.08Å; N28-M32 VanDerWaalsContact O-CG 3.25Å; N28-M32 WeakPolarHBondContact O-CG 3.43Å; N28-M32 PolarHBondContact O-N 3.38Å; N28-M32 VanDerWaalsContact O-N 3.13Å; M32-R36 PolarHBondContact O-N 3.46Å |
| 33 | A | 46.4 | Very low | 45.2 | Very low | 56 Ų | 56 | 135.5 Ų | 135.5 | 46% | 0.463 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -74.4 | -36.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R29 L30 K35 | R29-A33 WeakPolarHBondContact O-CB 3.25Å; R29-A33 PolarHBondContact O-N 2.89Å; L30-A33 PolarHBondContact O-N 3.01Å; A33-K35 VanDerWaalsContact C-N 3.34Å |
| 34 | A | 46.2 | Very low | 45.8 | Very low | 64 Ų | 64 | 135.3 Ų | 135.3 | 53% | 0.529 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -69.9 | -30.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L30 L31 | L30-A34 PolarHBondContact O-N 3.02Å; L31-A34 PolarHBondContact O-N 3.21Å |
| 35 | K | 45.5 | Very low | 46.7 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 73% | 0.726 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -83.7 | -10.5 | -179 | -143 | 177.9 | 178.8 | -176.9 | 0 | 114.8 | L31 A33 | L31-K35 WeakPolarHBondContact O-CB 3.49Å; L31-K35 PolarHBondContact O-N 3.09Å; L31-K35 VanDerWaalsContact O-N 3.09Å; A33-K35 VanDerWaalsContact C-N 3.34Å |
| 36 | R | 44.2 | Very low | 47.1 | Very low | 205 Ų | 205 | 137.7 Ų | 137.7 | 77% | 0.774 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -6.9 | 169.9 | -77.8 | -173.8 | -171.6 | 148.2 | 2.2 | 114.2 | M32 | M32-R36 PolarHBondContact O-N 3.46Š|
| 37 | K | 44 | Very low | 46.9 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 77% | 0.765 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -93.9 | 8.7 | 177.7 | -70.6 | -162.1 | 173 | -164.9 | 0 | 114.3 | ||
| 38 | F | 39.1 | Very low | 47.2 | Very low | 188 Ų | 188 | 133.4 Ų | 133.4 | 83% | 0.825 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -127.5 | 8.7 | -175.8 | -132.5 | -89.1 | 0 | 0 | 0 | 114.5 | ||
| 39 | M | 45.8 | Very low | 48.2 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 88% | 0.882 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -125.3 | 16.1 | 172.2 | -84.7 | -165.3 | 70.9 | 0 | 0 | 112.4 | ||
| 40 | D | 38.2 | Very low | 49.2 | Very low | 144 Ų | 144 | 129.4 Ų | 129.4 | 77% | 0.77 | 66% | 0.662 | S | S | * | * | trans | -123.7 | 60.6 | 179.2 | -131.9 | -53.4 | 0 | 0 | 0 | 108.3 | ||||
| 41 | T | 39.2 | Very low | 50.2 | Low | 121 Ų | 121 | 127.8 Ų | 127.8 | 74% | 0.742 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -133.8 | 81.9 | 168.6 | -57.4 | 0 | 0 | 0 | 0 | 107.3 | ||
| 42 | E | 44 | Very low | 51.4 | Low | 179 Ų | 179 | 130 Ų | 130 | 84% | 0.836 | 66% | 0.658 | S | S | * | * | trans | 67.9 | 85.9 | 137.2 | -45.8 | -148.1 | 154.2 | 0 | 0 | 117.6 | ||||
| 43 | L | 46.3 | Very low | 53 | Low | 151 Ų | 151 | 129.8 Ų | 129.8 | 79% | 0.791 | 66% | 0.656 | S | S | * | * | trans | -103.1 | 130.7 | 137.2 | -81.2 | 160.9 | 0 | 0 | 0 | 106.9 | ||||
| 44 | P | 48.3 | Very low | 54.8 | Low | 73 Ų | 73 | 132.1 Ų | 132.1 | 47% | 0.474 | 66% | 0.661 | S | S | . | * | trans | -63.5 | 135.1 | -178.3 | 18.5 | -22.5 | 0 | 0 | 0 | 109.8 | Q46 E47 | P44-Q46 PolarHBondContact O-N 3.43Å; P44-E47 HydrophobicContact CG-CG 4.17Å; P44-E47 PolarHBondContact O-N 2.88Å | ||
| 45 | P | 56.3 | Low | 56.6 | Low | 109 Ų | 109 | 134 Ų | 134 | 71% | 0.708 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -56.6 | -14.2 | -179.3 | -24.4 | 32.4 | 0 | 0 | 0 | 114.8 | S48 | P45-S48 PolarHBondContact O-OG 3.25Å |
| 46 | Q | 53.4 | Low | 58.2 | Low | 144 Ų | 144 | 128.8 Ų | 128.8 | 67% | 0.673 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72 | -34.6 | -176.2 | -159.4 | 147.8 | -8.6 | 0 | 0 | 112.4 | P44 S48 E49 D50 | P44-Q46 PolarHBondContact O-N 3.43Å; Q46-S48 VanDerWaalsContact C-N 3.33Å; Q46-S48 PolarHBondContact O-N 3.45Å; Q46-E49 PolarHBondContact O-N 2.95Å; Q46-D50 PolarHBondContact O-N 3.08Å; Q46-D50 VanDerWaalsContact O-N 3.08Å |
| 47 | E | 47.7 | Very low | 60.1 | Low | 125 Ų | 125 | 125 Ų | 125 | 58% | 0.584 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -75.4 | -23.5 | -176.8 | -55 | -161.6 | 150.3 | 0 | 0 | 113 | P44 L51 | P44-E47 HydrophobicContact CG-CG 4.17Å; P44-E47 PolarHBondContact O-N 2.88Å; E47-L51 VanDerWaalsContact O-CB 3.29Å; E47-L51 WeakPolarHBondContact O-CB 3.44Å; E47-L51 PolarHBondContact O-N 3.28Å |
| 48 | S | 58.6 | Low | 62.1 | Low | 65 Ų | 65 | 121.3 Ų | 121.3 | 46% | 0.455 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -74.3 | -38.3 | 171.2 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | P45 Q46 L51 F52 | P45-S48 PolarHBondContact O-OG 3.25Å; Q46-S48 VanDerWaalsContact C-N 3.33Å; Q46-S48 PolarHBondContact O-N 3.45Å; S48-L51 PolarHBondContact O-N 3.09Å; S48-F52 VanDerWaalsContact O-CD2 3.24Å; S48-F52 WeakPolarHBondContact O-CD2 3.29Å; S48-F52 PolarHBondContact O-N 3.42Å; S48-F52 VanDerWaalsContact O-N 3.11Å |
| 49 | E | 67.8 | Low | 64.1 | Low | 126 Ų | 126 | 118.8 Ų | 118.8 | 59% | 0.589 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.8 | -45.8 | 178.9 | -158.1 | 83.4 | -160 | 0 | 0 | 110.1 | Q46 L51 F52 Q53 | Q46-E49 PolarHBondContact O-N 2.95Å; E49-L51 VanDerWaalsContact C-N 3.32Å; E49-L51 PolarHBondContact O-N 3.11Å; E49-F52 PolarHBondContact O-N 3.1Å; E49-F52 VanDerWaalsContact O-N 3.17Å; E49-Q53 PolarHBondContact O-N 3.13Å |
| 50 | D | 68.9 | Low | 65.9 | Low | 90 Ų | 90 | 116.2 Ų | 116.2 | 48% | 0.481 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.6 | -37.4 | 177.5 | -71.5 | -32.1 | 0 | 0 | 0 | 111.9 | Q46 Q53 D54 | Q46-D50 PolarHBondContact O-N 3.08Å; Q46-D50 VanDerWaalsContact O-N 3.08Å; D50-Q53 WeakPolarHBondContact O-CB 3.24Å; D50-Q53 PolarHBondContact O-N 3.41Å; D50-D54 WeakPolarHBondContact O-CB 3.5Å; D50-D54 PolarHBondContact O-N 3.2Å |
| 51 | L | 72.9 | Confident | 68 | Low | 104 Ų | 104 | 113 Ų | 113 | 55% | 0.545 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.3 | -37.1 | 176 | -171.7 | 70.5 | 0 | 0 | 0 | 112.6 | E47 S48 E49 L55 | E47-L51 VanDerWaalsContact O-CB 3.29Å; E47-L51 WeakPolarHBondContact O-CB 3.44Å; E47-L51 PolarHBondContact O-N 3.28Å; S48-L51 PolarHBondContact O-N 3.09Å; E49-L51 VanDerWaalsContact C-N 3.32Å; E49-L51 PolarHBondContact O-N 3.11Å; L51-L55 WeakPolarHBondContact O-CB 3.43Å; L51-L55 WeakPolarHBondContact O-CG 3.33Å; L51-L55 PolarHBondContact O-N 2.92Å |
| 52 | F | 76.6 | Confident | 69.8 | Low | 153 Ų | 153 | 115.9 Ų | 115.9 | 67% | 0.671 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69.3 | -37.6 | 174.2 | -90.5 | -77.3 | 0 | 0 | 0 | 111.4 | S48 E49 S56 | S48-F52 VanDerWaalsContact O-CD2 3.24Å; S48-F52 WeakPolarHBondContact O-CD2 3.29Å; S48-F52 PolarHBondContact O-N 3.42Å; S48-F52 VanDerWaalsContact O-N 3.11Å; E49-F52 PolarHBondContact O-N 3.1Å; E49-F52 VanDerWaalsContact O-N 3.17Å; F52-S56 WeakPolarHBondContact O-CB 3.37Å; F52-S56 PolarHBondContact O-N 3.46Å |
| 53 | Q | 82.6 | Confident | 71.3 | Confident | 107 Ų | 107 | 112.3 Ų | 112.3 | 50% | 0.5 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.7 | -45.8 | 172.9 | -123.6 | 78.2 | 49.2 | 0 | 0 | 111.6 | E49 D50 L55 S56 Q57 | E49-Q53 PolarHBondContact O-N 3.13Å; D50-Q53 WeakPolarHBondContact O-CB 3.24Å; D50-Q53 PolarHBondContact O-N 3.41Å; Q53-L55 PolarHBondContact O-N 3.4Å; Q53-S56 WeakPolarHBondContact O-CB 3.43Å; Q53-S56 PolarHBondContact O-N 3.38Å; Q53-Q57 WeakPolarHBondContact O-CB 3.42Å; Q53-Q57 PolarHBondContact O-N 3.31Å |
| 54 | D | 84.9 | Confident | 72.6 | Confident | 104 Ų | 104 | 109.8 Ų | 109.8 | 56% | 0.556 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62 | -43.6 | 178.3 | -91.4 | 3.9 | 0 | 0 | 0 | 111.9 | D50 S56 Q57 L58 | D50-D54 WeakPolarHBondContact O-CB 3.5Å; D50-D54 PolarHBondContact O-N 3.2Å; D54-S56 VanDerWaalsContact C-N 3.35Å; D54-Q57 PolarHBondContact O-N 2.84Å; D54-L58 WeakPolarHBondContact O-CB 3.46Å; D54-L58 PolarHBondContact O-N 3.17Å |
| 55 | L | 83.2 | Confident | 73.8 | Confident | 103 Ų | 103 | 113.3 Ų | 113.3 | 54% | 0.539 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.2 | -39.5 | 176.3 | -74.8 | 171.9 | 0 | 0 | 0 | 111.9 | L51 Q53 Q59 | L51-L55 WeakPolarHBondContact O-CB 3.43Å; L51-L55 WeakPolarHBondContact O-CG 3.33Å; L51-L55 PolarHBondContact O-N 2.92Å; Q53-L55 PolarHBondContact O-N 3.4Å; L55-Q59 WeakPolarHBondContact O-CB 3.48Å; L55-Q59 PolarHBondContact O-N 3.49Å; L55-Q59 VanDerWaalsContact O-N 3.08Å |
| 56 | S | 80.1 | Confident | 74.1 | Confident | 59 Ų | 59 | 111.7 Ų | 111.7 | 41% | 0.413 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.2 | -43.5 | 174.3 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | F52 Q53 D54 Q59 E60 | F52-S56 WeakPolarHBondContact O-CB 3.37Å; F52-S56 PolarHBondContact O-N 3.46Å; Q53-S56 WeakPolarHBondContact O-CB 3.43Å; Q53-S56 PolarHBondContact O-N 3.38Å; D54-S56 VanDerWaalsContact C-N 3.35Å; S56-Q59 WeakPolarHBondContact O-CB 3.34Å; S56-Q59 PolarHBondContact O-N 2.99Å; S56-E60 PolarHBondContact O-N 3.24Å |
| 57 | Q | 83.6 | Confident | 74 | Confident | 124 Ų | 124 | 111.9 Ų | 111.9 | 58% | 0.579 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.9 | -35.7 | -177.6 | -159.2 | 171.9 | 79.2 | 0 | 0 | 111.7 | Q53 D54 Q59 E60 T61 | Q53-Q57 WeakPolarHBondContact O-CB 3.42Å; Q53-Q57 PolarHBondContact O-N 3.31Å; D54-Q57 PolarHBondContact O-N 2.84Å; Q57-Q59 VanDerWaalsContact C-N 3.34Å; Q57-E60 PolarHBondContact O-N 2.68Å; Q57-T61 WeakPolarHBondContact O-CB 3.47Å; Q57-T61 PolarHBondContact O-N 2.88Å; Q57-T61 PolarHBondContact O-OG1 2.92Å |
| 58 | L | 85.8 | Confident | 74.3 | Confident | 99 Ų | 99 | 111.9 Ų | 111.9 | 52% | 0.518 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.4 | -39 | 172.3 | -172 | 66.7 | 0 | 0 | 0 | 111.7 | D54 T61 W62 | D54-L58 WeakPolarHBondContact O-CB 3.46Å; D54-L58 PolarHBondContact O-N 3.17Å; L58-T61 PolarHBondContact O-N 2.81Å; L58-W62 PolarHBondContact O-N 3.04Å |
| 59 | Q | 81.1 | Confident | 73.9 | Confident | 135 Ų | 135 | 114 Ų | 114 | 63% | 0.631 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.9 | -41.7 | 175.4 | -171.4 | 177.4 | -18.4 | 0 | 0 | 111.7 | L55 S56 Q57 L63 | L55-Q59 WeakPolarHBondContact O-CB 3.48Å; L55-Q59 PolarHBondContact O-N 3.49Å; L55-Q59 VanDerWaalsContact O-N 3.08Å; S56-Q59 WeakPolarHBondContact O-CB 3.34Å; S56-Q59 PolarHBondContact O-N 2.99Å; Q57-Q59 VanDerWaalsContact C-N 3.34Å; Q59-L63 HydrophobicContact CG-CD1 4.22Å; Q59-L63 WeakPolarHBondContact O-CD1 3.18Å; Q59-L63 WeakPolarHBondContact O-CG 3.48Å; Q59-L63 PolarHBondContact O-N 2.85Å; Q59-L63 VanDerWaalsContact O-N 3.09Å |
| 60 | E | 83.6 | Confident | 73.1 | Confident | 126 Ų | 126 | 115.6 Ų | 115.6 | 59% | 0.589 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.4 | -38 | 174.4 | -73.7 | -165.2 | 158.1 | 0 | 0 | 112.7 | S56 Q57 L63 T64 | S56-E60 PolarHBondContact O-N 3.24Å; Q57-E60 PolarHBondContact O-N 2.68Å; E60-L63 PolarHBondContact O-N 2.97Å; E60-T64 WeakPolarHBondContact O-CB 3.25Å; E60-T64 PolarHBondContact O-N 3.08Å; E60-T64 PolarHBondContact O-OG1 2.93Å |
| 61 | T | 82 | Confident | 72.4 | Confident | 75 Ų | 75 | 116 Ų | 116 | 46% | 0.46 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.8 | -46.3 | 177.2 | -54.6 | 0 | 0 | 0 | 0 | 110.9 | Q57 L58 L63 T64 E65 | Q57-T61 WeakPolarHBondContact O-CB 3.47Å; Q57-T61 PolarHBondContact O-N 2.88Å; Q57-T61 PolarHBondContact O-OG1 2.92Å; L58-T61 PolarHBondContact O-N 2.81Å; T61-L63 VanDerWaalsContact C-N 3.33Å; T61-L63 PolarHBondContact O-N 2.91Å; T61-T64 PolarHBondContact O-N 3.32Å; T61-E65 WeakPolarHBondContact O-CB 3.27Å; T61-E65 PolarHBondContact O-N 3.38Å |
| 62 | W | 78.6 | Confident | 71.2 | Confident | 182 Ų | 182 | 118.8 Ų | 118.8 | 69% | 0.689 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -61.2 | -38.8 | 175.6 | -99.7 | 82.1 | 0 | 0 | 0 | 113.2 | L58 T64 A66 | L58-W62 PolarHBondContact O-N 3.04Å; W62-T64 VanDerWaalsContact C-N 3.31Å; W62-A66 WeakPolarHBondContact O-CB 3.39Å; W62-A66 PolarHBondContact O-N 3.38Å |
| 63 | L | 75.1 | Confident | 70.2 | Confident | 104 Ų | 104 | 120.7 Ų | 120.7 | 55% | 0.545 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -71.2 | -27.2 | 177.1 | -74.8 | 164.7 | 0 | 0 | 0 | 112.9 | Q59 E60 T61 Q67 | Q59-L63 HydrophobicContact CG-CD1 4.22Å; Q59-L63 WeakPolarHBondContact O-CD1 3.18Å; Q59-L63 WeakPolarHBondContact O-CG 3.48Å; Q59-L63 PolarHBondContact O-N 2.85Å; Q59-L63 VanDerWaalsContact O-N 3.09Å; E60-L63 PolarHBondContact O-N 2.97Å; T61-L63 VanDerWaalsContact C-N 3.33Å; T61-L63 PolarHBondContact O-N 2.91Å; L63-Q67 PolarHBondContact O-NE2 3.24Å; L63-Q67 VanDerWaalsContact O-NE2 3.09Å |
| 64 | T | 72.6 | Confident | 68.9 | Low | 98 Ų | 98 | 123.4 Ų | 123.4 | 60% | 0.601 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -79.7 | -39.4 | 175.8 | -54 | 0 | 0 | 0 | 0 | 111.1 | E60 T61 W62 A66 Q67 | E60-T64 WeakPolarHBondContact O-CB 3.25Å; E60-T64 PolarHBondContact O-N 3.08Å; E60-T64 PolarHBondContact O-OG1 2.93Å; T61-T64 PolarHBondContact O-N 3.32Å; W62-T64 VanDerWaalsContact C-N 3.31Å; T64-A66 VanDerWaalsContact C-N 3.34Å; T64-Q67 PolarHBondContact O-N 2.76Å |
| 65 | E | 74.1 | Confident | 66.7 | Low | 148 Ų | 148 | 127.4 Ų | 127.4 | 69% | 0.692 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -68.9 | -31.6 | 176.4 | -171.2 | 174.5 | 177.8 | 0 | 0 | 112.4 | T61 Q67 | T61-E65 WeakPolarHBondContact O-CB 3.27Å; T61-E65 PolarHBondContact O-N 3.38Å; E65-Q67 PolarHBondContact O-N 3.3Å |
| 66 | A | 62.2 | Low | 64.8 | Low | 75 Ų | 75 | 128.2 Ų | 128.2 | 62% | 0.62 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -9.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | W62 T64 V68 | W62-A66 WeakPolarHBondContact O-CB 3.39Å; W62-A66 PolarHBondContact O-N 3.38Å; T64-A66 VanDerWaalsContact C-N 3.34Å; A66-V68 PolarHBondContact O-N 2.8Å |
| 67 | Q | 53.1 | Low | 63.2 | Low | 148 Ų | 148 | 130.8 Ų | 130.8 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | trans | -85.8 | 84.6 | 170.3 | -85 | 165.3 | 76.7 | 0 | 0 | 109.3 | L63 T64 E65 P69 | L63-Q67 PolarHBondContact O-NE2 3.24Å; L63-Q67 VanDerWaalsContact O-NE2 3.09Å; T64-Q67 PolarHBondContact O-N 2.76Å; E65-Q67 PolarHBondContact O-N 3.3Å; Q67-P69 VanDerWaalsContact O-CD 3.26Å; Q67-P69 WeakPolarHBondContact O-CD 3.29Å | ||
| 68 | V | 52.1 | Low | 61 | Low | 125 Ų | 125 | 131.1 Ų | 131.1 | 76% | 0.758 | 69% | 0.693 | S | S | * | * | trans | -58.5 | 117.9 | 165 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | A66 D70 | A66-V68 PolarHBondContact O-N 2.8Å; V68-D70 PolarHBondContact O-N 3.47Å | ||
| 69 | P | 51.5 | Low | 58.8 | Low | 109 Ų | 109 | 136.1 Ų | 136.1 | 71% | 0.708 | 71% | 0.712 | S | S | * | * | trans | -61.7 | 120.9 | 168.8 | -16.7 | 30.5 | 0 | 0 | 0 | 108 | Q67 S71 | Q67-P69 VanDerWaalsContact O-CD 3.26Å; Q67-P69 WeakPolarHBondContact O-CD 3.29Å; P69-S71 PolarHBondContact O-N 3.02Å | ||
| 70 | D | 49.7 | Very low | 56.5 | Low | 160 Ų | 160 | 137.5 Ų | 137.5 | 86% | 0.856 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -72 | 60.1 | 177.5 | -164 | 17.4 | 0 | 0 | 0 | 110.5 | V68 | V68-D70 PolarHBondContact O-N 3.47Š|
| 71 | S | 55.8 | Low | 54.6 | Low | 97 Ų | 97 | 136.6 Ų | 136.6 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | trans | -157.7 | 70.3 | -177.3 | -67.5 | 0 | 0 | 0 | 0 | 110.1 | P69 | P69-S71 PolarHBondContact O-N 3.02Š| ||
| 72 | D | 47.2 | Very low | 52.6 | Low | 163 Ų | 163 | 142 Ų | 142 | 87% | 0.872 | 75% | 0.745 | S | S | * | * | trans | -159.5 | 55.8 | 152 | -96.9 | -33.4 | 0 | 0 | 0 | 110.3 | Q74 | D72-Q74 VanDerWaalsContact C-N 3.26Å; D72-Q74 PolarHBondContact O-N 2.99Å | ||
| 73 | E | 56.3 | Low | 50.6 | Low | 193 Ų | 193 | 140.3 Ų | 140.3 | 90% | 0.902 | 75% | 0.75 | S | S | * | * | trans | -77.3 | 78.5 | 153.7 | -72.3 | -159.1 | 129.2 | 0 | 0 | 109.1 | ||||
| 74 | Q | 53.9 | Low | 48.7 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 77% | 0.771 | 76% | 0.764 | S | S | * | * | trans | -169.3 | 101.7 | 155.4 | -115.6 | 164.8 | -6.2 | 0 | 0 | 112.7 | D72 | D72-Q74 VanDerWaalsContact C-N 3.26Å; D72-Q74 PolarHBondContact O-N 2.99Å | ||
| 75 | F | 39.1 | Very low | 47.3 | Very low | 188 Ų | 188 | 142.7 Ų | 142.7 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | 156 | 87.6 | 128 | -98 | -86.7 | 0 | 0 | 0 | 109.5 | |||||
| 76 | V | 44 | Very low | 45.4 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | trans | -88.3 | 118.4 | 155.2 | -179.8 | 0 | 0 | 0 | 0 | 106.2 | D78 | V76-D78 PolarHBondContact O-N 3.43Š| ||
| 77 | P | 46.2 | Very low | 44.1 | Very low | 114 Ų | 114 | 145 Ų | 145 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | trans | -76.9 | 104.9 | 169.2 | -11.9 | 28.3 | 0 | 0 | 0 | 109.1 | F79 | P77-F79 PolarHBondContact O-N 2.92Š| ||
| 78 | D | 38 | Very low | 43.4 | Very low | 130 Ų | 130 | 147 Ų | 147 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | trans | -62.6 | 113.6 | 168.7 | -71 | -47.5 | 0 | 0 | 0 | 109.9 | V76 H80 | V76-D78 PolarHBondContact O-N 3.43Å; D78-H80 PolarHBondContact O-N 3.02Å; D78-H80 VanDerWaalsContact O-N 3.14Å | ||
| 79 | F | 39 | Very low | 42.5 | Very low | 205 Ų | 205 | 146.5 Ų | 146.5 | 90% | 0.899 | 79% | 0.792 | S | S | * | * | trans | -80.4 | 95.9 | 174 | -152.5 | -93.2 | 0 | 0 | 0 | 109.1 | P77 S81 | P77-F79 PolarHBondContact O-N 2.92Å; F79-S81 PolarHBondContact O-N 3.09Å | ||
| 80 | H | 33.4 | Very low | 42 | Very low | 164 Ų | 164 | 146.6 Ų | 146.6 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -65.4 | 113.2 | 171.3 | -75.4 | -82.1 | 0 | 0 | 0 | 110.9 | D78 E82 | D78-H80 PolarHBondContact O-N 3.02Å; D78-H80 VanDerWaalsContact O-N 3.14Å; H80-E82 PolarHBondContact O-N 2.89Å | ||
| 81 | S | 43.4 | Very low | 41.5 | Very low | 106 Ų | 106 | 145 Ų | 145 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -72.9 | 102.2 | 160.8 | 46.8 | 0 | 0 | 0 | 0 | 109.3 | F79 | F79-S81 PolarHBondContact O-N 3.09Š| ||
| 82 | E | 39.4 | Very low | 40.6 | Very low | 189 Ų | 189 | 146.8 Ų | 146.8 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -169.6 | 131.6 | 149.4 | -107.3 | 166 | -172.6 | 0 | 0 | 113.2 | H80 | H80-E82 PolarHBondContact O-N 2.89Š| ||
| 83 | N | 35.6 | Very low | 40.2 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | 88.3 | 91.4 | 152.3 | -129.5 | 32 | 0 | 0 | 0 | 120.4 | ||||
| 84 | S | 36.6 | Very low | 39.6 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | -156.6 | 109.9 | 125.5 | 71.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 85 | V | 42 | Very low | 38.8 | Very low | 131 Ų | 131 | 145.3 Ų | 145.3 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -61.9 | 132 | 164.5 | -159.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 86 | A | 35.6 | Very low | 39.2 | Very low | 75 Ų | 75 | 145.9 Ų | 145.9 | 62% | 0.62 | 80% | 0.797 | S | S | * | * | trans | 167.3 | 110.2 | 137.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 87 | F | 34.1 | Very low | 38.8 | Very low | 196 Ų | 196 | 148 Ų | 148 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | 162.2 | 120 | 116 | -95.7 | -79.8 | 0 | 0 | 0 | 109.6 | S89 | F87-S89 PolarHBondContact O-N 3.17Š| |||
| 88 | H | 38 | Very low | 38.7 | Very low | 191 Ų | 191 | 147.5 Ų | 147.5 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 126.4 | 177.7 | -61.7 | -85.6 | 0 | 0 | 0 | 111.3 | ||
| 89 | S | 34.5 | Very low | 38.8 | Very low | 115 Ų | 115 | 150.6 Ų | 150.6 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 127.4 | 164.6 | -67.3 | 0 | 0 | 0 | 0 | 109.4 | F87 | F87-S89 PolarHBondContact O-N 3.17Š|
| 90 | P | 39.6 | Very low | 38.6 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 156.1 | -178.3 | 27 | -28.6 | 0 | 0 | 0 | 112.7 | V92 | P90-V92 PolarHBondContact O-N 3.41Š|
| 91 | P | 39.8 | Very low | 39.3 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 125.9 | -171.2 | 30.5 | -33.3 | 0 | 0 | 0 | 111.4 | ||
| 92 | V | 37.7 | Very low | 38.9 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 119.7 | 171.8 | -167 | 0 | 0 | 0 | 0 | 108.7 | P90 I94 | P90-V92 PolarHBondContact O-N 3.41Å; V92-I94 PolarHBondContact O-N 2.97Å |
| 93 | T | 37.9 | Very low | 38.8 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -72.2 | 114 | 179.4 | 43.1 | 0 | 0 | 0 | 0 | 110.7 | K95 | T93-K95 PolarHBondContact O-N 2.76Š| ||
| 94 | I | 43 | Very low | 38.9 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -74.8 | 109.4 | 174 | -62.8 | 174.5 | 0 | 0 | 0 | 108.5 | V92 | V92-I94 PolarHBondContact O-N 2.97Š| ||
| 95 | K | 37.3 | Very low | 39.4 | Very low | 189 Ų | 189 | 139.2 Ų | 139.2 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -74 | 122.4 | 172.3 | -175.2 | 173 | 170.6 | -179.6 | 0 | 109.4 | T93 | T93-K95 PolarHBondContact O-N 2.76Š| ||
| 96 | K | 47 | Very low | 39.4 | Very low | 199 Ų | 199 | 137 Ų | 137 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | trans | -96.6 | 126 | 177.5 | -175.6 | 179.2 | -177.2 | 179 | 0 | 109.6 | ||||
| 97 | E | 35.7 | Very low | 39.5 | Very low | 164 Ų | 164 | 143.1 Ų | 143.1 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | trans | -166.8 | 163 | 160.4 | -130.6 | -164.2 | 112.3 | 0 | 0 | 110.6 | ||||
| 98 | P | 44.9 | Very low | 39.4 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 68% | 0.675 | 80% | 0.801 | S | S | * | * | -115.9 | 162.5 | -86.5 | 35.7 | -22.6 | 0 | 0 | 0 | 113.9 | |||||
| 99 | Q | 40.7 | Very low | 39.2 | Very low | 194 Ų | 194 | 135.2 Ų | 135.2 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | trans | -60 | 144.7 | 168.2 | -90.8 | 171.1 | -30.6 | 0 | 0 | 112.6 | ||||
| 100 | S | 35.2 | Very low | 39.6 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -156.7 | 152.4 | 160.6 | -79.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 101 | P | 48 | Very low | 39.4 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | -104.6 | 155.3 | -125.3 | 11 | 8 | 0 | 0 | 0 | 114.7 | |||||
| 102 | G | 34.2 | Very low | 39.7 | Very low | 77 Ų | 77 | 141.5 Ų | 141.5 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -68.4 | 159.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 103 | S | 37.6 | Very low | 39.5 | Very low | 125 Ų | 125 | 144 Ų | 144 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -140.2 | 138.1 | 161.6 | -13.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 104 | D | 38 | Very low | 39.2 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 68% | 0.679 | 80% | 0.8 | S | S | * | * | trans | -70.7 | 149.5 | -162.6 | -162.3 | -66.8 | 0 | 0 | 0 | 114.9 | S106 | D104-S106 PolarHBondContact O-N 3.34Å; D104-S106 PolarHBondContact OD1-OG 3.09Å; D104-S106 VanDerWaalsContact OD1-OG 3.06Å | ||
| 105 | P | 47 | Very low | 38.6 | Very low | 128 Ų | 128 | 145.2 Ų | 145.2 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -86.5 | 83.3 | 172.4 | 35.8 | -32 | 0 | 0 | 0 | 110.9 | ||
| 106 | S | 40.8 | Very low | 38.3 | Very low | 85 Ų | 85 | 140.6 Ų | 140.6 | 59% | 0.594 | 79% | 0.793 | S | S | * | * | trans | -157.2 | 95.5 | 167.2 | 47.7 | 0 | 0 | 0 | 0 | 111.2 | D104 | D104-S106 PolarHBondContact O-N 3.34Å; D104-S106 PolarHBondContact OD1-OG 3.09Å; D104-S106 VanDerWaalsContact OD1-OG 3.06Å | ||
| 107 | Q | 37.8 | Very low | 37.6 | Very low | 203 Ų | 203 | 142.1 Ų | 142.1 | 95% | 0.949 | 80% | 0.795 | S | S | * | * | trans | -160.3 | 132.7 | 139.2 | -72.3 | -146.6 | 13.4 | 0 | 0 | 110.6 | ||||
| 108 | S | 33.1 | Very low | 38.1 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -101.2 | 166.2 | 178.2 | -163.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 109 | C | 33.9 | Very low | 37.5 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | 84 | 103.1 | 155.1 | -63.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 110 | S | 41.7 | Very low | 37.1 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | 39.2 | 110.7 | 118.7 | -174.6 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 111 | H | 35.7 | Very low | 37.2 | Very low | 179 Ų | 179 | 137.9 Ų | 137.9 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -155.8 | 130.7 | 138.6 | -144.7 | 64.4 | 0 | 0 | 0 | 113 | ||||
| 112 | K | 45.5 | Very low | 36.7 | Very low | 191 Ų | 191 | 140.5 Ų | 140.5 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | trans | -77.2 | 143.9 | 168.9 | -76.7 | -179.8 | 172 | -179 | 0 | 109.6 | ||||
| 113 | Q | 34 | Very low | 36.7 | Very low | 188 Ų | 188 | 143.3 Ų | 143.3 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -142.9 | 128.7 | 154.9 | -115.4 | -179.3 | 2.9 | 0 | 0 | 112.4 | ||||
| 114 | T | 32.3 | Very low | 36.7 | Very low | 119 Ų | 119 | 145 Ų | 145 | 73% | 0.73 | 80% | 0.801 | S | S | * | * | trans | -75.6 | 146.3 | 167.1 | -44.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 115 | F | 30.5 | Very low | 36.3 | Very low | 206 Ų | 206 | 150 Ų | 150 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | -179.4 | 150.5 | 126.4 | -107.5 | -80.7 | 0 | 0 | 0 | 113.8 | |||||
| 116 | S | 30.8 | Very low | 35.6 | Very low | 92 Ų | 92 | 148 Ų | 148 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | trans | -74 | 159.7 | -174.6 | 174.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 117 | Y | 31.7 | Very low | 35.5 | Very low | 232 Ų | 232 | 149.5 Ų | 149.5 | 91% | 0.91 | 82% | 0.817 | S | S | * | * | trans | -149.2 | 156.5 | 143.3 | -114.6 | -95.4 | 0 | 0 | 0 | 111.1 | ||||
| 118 | P | 46.8 | Very low | 35.3 | Very low | 92 Ų | 92 | 144.1 Ų | 144.1 | 60% | 0.597 | 81% | 0.807 | S | S | * | * | trans | -116.1 | 175.7 | -154.8 | 41.3 | -28.5 | 0 | 0 | 0 | 116.8 | ||||
| 119 | S | 31.4 | Very low | 35.3 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | 75.1 | 127.6 | 147.7 | 76.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 120 | G | 33.9 | Very low | 35.4 | Very low | 75 Ų | 75 | 152.2 Ų | 152.2 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | 88.3 | 120.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 121 | E | 35.8 | Very low | 35 | Very low | 201 Ų | 201 | 155.6 Ų | 155.6 | 94% | 0.939 | 82% | 0.817 | S | S | * | * | cis | -154.4 | 172.9 | 31 | -66.4 | -178 | 147.4 | 0 | 0 | 110.8 | ||||
| 122 | Q | 38.3 | Very low | 35.4 | Very low | 175 Ų | 175 | 156 Ų | 156 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -75.1 | 149.4 | -161.1 | -62.6 | 163 | -19.5 | 0 | 0 | 115.8 | ||||
| 123 | C | 33.6 | Very low | 34.8 | Very low | 137 Ų | 137 | 159 Ų | 159 | 93% | 0.926 | 82% | 0.822 | S | S | * | * | trans | -145.2 | 124.1 | 140.8 | -94.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 124 | L | 38.1 | Very low | 35 | Very low | 161 Ų | 161 | 154.7 Ų | 154.7 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | -91.2 | 123.4 | -175.3 | -66.6 | 162.2 | 0 | 0 | 0 | 110.5 | ||||
| 125 | Y | 29.2 | Very low | 35 | Very low | 232 Ų | 232 | 154.2 Ų | 154.2 | 91% | 0.91 | 83% | 0.827 | S | S | * | * | -161.2 | 119.9 | 129.3 | -155.6 | -105.1 | 0 | 0 | 0 | 109.9 | |||||
| 126 | A | 32.4 | Very low | 35 | Very low | 86 Ų | 86 | 148.4 Ų | 148.4 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | trans | -91.1 | 155 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 127 | S | 38.7 | Very low | 35 | Very low | 115 Ų | 115 | 148 Ų | 148 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | -74.1 | 159.1 | 173.3 | 46.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 128 | A | 32.9 | Very low | 35.2 | Very low | 90 Ų | 90 | 141.1 Ų | 141.1 | 74% | 0.744 | 83% | 0.827 | S | S | * | * | trans | -173.9 | 143.3 | 152.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 129 | Y | 34.4 | Very low | 34.6 | Very low | 223 Ų | 223 | 146.1 Ų | 146.1 | 88% | 0.875 | 84% | 0.839 | S | S | * | * | cis | -162.8 | 153.5 | -17.1 | -120.7 | -87.7 | 0 | 0 | 0 | 104.5 | ||||
| 130 | E | 36.2 | Very low | 34.7 | Very low | 168 Ų | 168 | 146.2 Ų | 146.2 | 79% | 0.785 | 84% | 0.84 | S | S | * | * | trans | -73.2 | 148.3 | 171.5 | -172.1 | 177.6 | 167 | 0 | 0 | 111.7 | ||||
| 131 | Q | 32.5 | Very low | 34.6 | Very low | 187 Ų | 187 | 148.2 Ų | 148.2 | 87% | 0.874 | 84% | 0.842 | S | S | * | * | trans | -166.5 | 135.5 | 144.2 | -151.6 | 78.9 | 5.4 | 0 | 0 | 113.7 | ||||
| 132 | K | 43.5 | Very low | 34.6 | Very low | 187 Ų | 187 | 144 Ų | 144 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | trans | -87.5 | 143.4 | -175.5 | -153.1 | -179.3 | -161.5 | 167.8 | 0 | 112.6 | ||||
| 133 | R | 33.7 | Very low | 35.1 | Very low | 253 Ų | 253 | 141.9 Ų | 141.9 | 96% | 0.955 | 84% | 0.835 | S | S | * | * | 172.6 | 154.1 | 124.2 | -101.4 | -166.6 | -173 | 160.8 | 4.2 | 115 | |||||
| 134 | A | 38.1 | Very low | 34.9 | Very low | 99 Ų | 99 | 139 Ų | 139 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -83 | 158.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 135 | A | 33.4 | Very low | 34.8 | Very low | 109 Ų | 109 | 138 Ų | 138 | 90% | 0.901 | 83% | 0.829 | S | S | * | * | trans | 176.9 | 142.1 | 136.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 136 | G | 29 | Very low | 36.1 | Very low | 83 Ų | 83 | 131.8 Ų | 131.8 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | -110.2 | -178.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 137 | G | 31.2 | Very low | 36.1 | Very low | 83 Ų | 83 | 136.2 Ų | 136.2 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | trans | 94.7 | 138.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 138 | A | 36.1 | Very low | 36.1 | Very low | 89 Ų | 89 | 135.8 Ų | 135.8 | 74% | 0.736 | 82% | 0.823 | S | S | * | * | cis | -170.8 | 150.3 | -1.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 139 | K | 34.7 | Very low | 37.5 | Very low | 196 Ų | 196 | 137.3 Ų | 137.3 | 85% | 0.852 | 83% | 0.825 | S | S | * | * | trans | 78.5 | 127.2 | 141.3 | -69.7 | 172.7 | -176 | -173.8 | 0 | 124.9 | ||||
| 140 | S | 33.6 | Very low | 37.4 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | 74.1 | 141.6 | 141.5 | 69 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 141 | S | 31.7 | Very low | 37.6 | Very low | 116 Ų | 116 | 136 Ų | 136 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | cis | -158.2 | 147.3 | 14.5 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 142 | C | 35.7 | Very low | 37.6 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 76% | 0.757 | 83% | 0.828 | S | S | * | * | trans | -78 | -174.1 | 165.4 | -43.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 143 | P | 47.5 | Very low | 37.3 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | cis | -142.1 | -176.3 | 1.9 | 38.7 | -17 | 0 | 0 | 0 | 115.6 | ||||
| 144 | G | 29.3 | Very low | 37.2 | Very low | 77 Ų | 77 | 133.3 Ų | 133.3 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | 161.6 | 91.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 145 | T | 37.4 | Very low | 37.1 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | trans | -123.1 | 175.5 | 151.9 | -1.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 146 | P | 56.5 | Low | 37.9 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 66% | 0.656 | 81% | 0.814 | S | S | * | * | cis | -138.6 | -173.7 | -6.9 | 34.4 | -12.2 | 0 | 0 | 0 | 113.2 | ||||
| 147 | M | 32.6 | Very low | 38 | Very low | 178 Ų | 178 | 140.2 Ų | 140.2 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -173.7 | 147.9 | 140.2 | -101 | -66.3 | 110.7 | 0 | 0 | 112.3 | ||||
| 148 | S | 39.1 | Very low | 39.5 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | -107.7 | -149.3 | -166.9 | -59.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 149 | P | 61.3 | Low | 39.4 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | -117.7 | -179 | -120.3 | 35.1 | -12.7 | 0 | 0 | 0 | 114.3 | |||||
| 150 | M | 31.9 | Very low | 39.4 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -157.3 | 129 | 163.2 | -157.6 | 83.7 | 140.4 | 0 | 0 | 112.9 | ||||
| 151 | Q | 40.6 | Very low | 39.3 | Very low | 175 Ų | 175 | 137.2 Ų | 137.2 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -89.1 | 156.3 | 164.2 | -79.9 | 160.7 | -26.5 | 0 | 0 | 110.2 | ||||
| 152 | Q | 33.1 | Very low | 39.3 | Very low | 184 Ų | 184 | 135 Ų | 135 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | -178.8 | 161 | 123.5 | -96 | -173.4 | 27.7 | 0 | 0 | 113.8 | |||||
| 153 | H | 36.4 | Very low | 39.6 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 73% | 0.731 | 82% | 0.82 | S | S | * | * | trans | -72.2 | 162.1 | -164.1 | -63 | -104 | 0 | 0 | 0 | 116.4 | ||||
| 154 | Y | 32.1 | Very low | 40.1 | Very low | 229 Ų | 229 | 140 Ų | 140 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | 153.7 | 137.9 | 118 | -91.2 | -82.3 | 0 | 0 | 0 | 113.2 | |||||
| 155 | S | 35.4 | Very low | 40.3 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -92.9 | 158.7 | 162.3 | -153.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 156 | P | 49.6 | Very low | 40.2 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | -153.4 | 174.6 | 86.4 | 36.6 | -14.4 | 0 | 0 | 0 | 118.1 | |||||
| 157 | K | 32.7 | Very low | 39 | Very low | 203 Ų | 203 | 139.4 Ų | 139.4 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -47 | -178.9 | -179.6 | -107.8 | -164.9 | 169.2 | 166.5 | 0 | 121 | ||||
| 158 | P | 61.5 | Low | 39.2 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -127.9 | -176.2 | -135.5 | 42 | -20.6 | 0 | 0 | 0 | 116.5 | ||||
| 159 | A | 33.9 | Very low | 38.9 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | 154.8 | 149.9 | 153.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 160 | A | 35.4 | Very low | 37.5 | Very low | 99 Ų | 99 | 144.6 Ų | 144.6 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | cis | -171.8 | 177.1 | 0.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 161 | A | 32.6 | Very low | 38.9 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | 92 | 132.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 162 | G | 30.7 | Very low | 38.5 | Very low | 69 Ų | 69 | 136.6 Ų | 136.6 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | cis | 165.4 | 144.1 | -6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 163 | R | 41.6 | Very low | 38.5 | Very low | 243 Ų | 243 | 131.9 Ų | 131.9 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | trans | 85 | 163.4 | 152.6 | -41.1 | -170.1 | 92.9 | -168.2 | 8.9 | 120.2 | ||||
| 164 | P | 59.3 | Low | 38.2 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | -141.3 | 172.2 | -75.9 | 41.2 | -22.5 | 0 | 0 | 0 | 114.9 | |||||
| 165 | D | 32 | Very low | 38.3 | Very low | 152 Ų | 152 | 125 Ų | 125 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | 162.6 | 149.4 | 115.5 | -147.6 | -92 | 0 | 0 | 0 | 113.4 | |||||
| 166 | A | 36.8 | Very low | 38.3 | Very low | 92 Ų | 92 | 127.9 Ų | 127.9 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | 58 | 124.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 167 | G | 31.1 | Very low | 38 | Very low | 62 Ų | 62 | 127.4 Ų | 127.4 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | cis | 154.8 | 115.5 | 1.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 168 | Y | 35.8 | Very low | 38 | Very low | 223 Ų | 223 | 124.9 Ų | 124.9 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | trans | 63.5 | 144.2 | 152.3 | -64.9 | -94.8 | 0 | 0 | 0 | 120.6 | ||||
| 169 | L | 33.3 | Very low | 37.4 | Very low | 150 Ų | 150 | 124.9 Ų | 124.9 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | cis | -171.3 | 151.6 | -31.8 | -123 | 164 | 0 | 0 | 0 | 106 | ||||
| 170 | N | 32.5 | Very low | 37.3 | Very low | 143 Ų | 143 | 125 Ų | 125 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | trans | -93.8 | -152.4 | -176.9 | -150 | 8 | 0 | 0 | 0 | 109.4 | ||||
| 171 | P | 61.3 | Low | 37.2 | Very low | 98 Ų | 98 | 126.8 Ų | 126.8 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | -123.5 | -169.6 | -77.3 | 27.7 | -6.4 | 0 | 0 | 0 | 114.7 | |||||
| 172 | A | 31.3 | Very low | 37 | Very low | 97 Ų | 97 | 127 Ų | 127 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | 80.6 | 146.2 | 148.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 173 | A | 32.3 | Very low | 37 | Very low | 85 Ų | 85 | 132.2 Ų | 132.2 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | cis | -172.2 | 167.8 | -9.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 174 | T | 31.8 | Very low | 36.5 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | 95.1 | 135.3 | 146.8 | -42.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 175 | S | 33.3 | Very low | 35.1 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | 86.3 | 122.3 | 152.5 | 38.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 176 | Q | 36.7 | Very low | 35.2 | Very low | 164 Ų | 164 | 129.2 Ų | 129.2 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | trans | -48.2 | 166.6 | 159.3 | -73 | -90.1 | -20.6 | 0 | 0 | 113.7 | ||||
| 177 | P | 42.9 | Very low | 34.9 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | cis | -146.4 | 178.1 | 39.2 | 36.5 | -12.2 | 0 | 0 | 0 | 118.7 | ||||
| 178 | L | 32.8 | Very low | 34.9 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -44.7 | 157.1 | 172.4 | -78.9 | 164.7 | 0 | 0 | 0 | 116.4 | ||||
| 179 | P | 47.3 | Very low | 34.6 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | -151.4 | 154 | 80.8 | 37.7 | -16.4 | 0 | 0 | 0 | 119.4 | |||||
| 180 | S | 33.4 | Very low | 34.4 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | 61.8 | 117 | 131.3 | -59.9 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 181 | N | 31.7 | Very low | 34.3 | Very low | 137 Ų | 137 | 126.8 Ų | 126.8 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | 69.5 | 139.1 | 121.3 | -95.9 | 13.5 | 0 | 0 | 0 | 125.2 | |||||
| 182 | N | 29.9 | Very low | 32.9 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | trans | 109.6 | 105.4 | 138.2 | -76.8 | 15.6 | 0 | 0 | 0 | 121.8 | ||||
| 183 | Y | 29.3 | Very low | 33 | Very low | 179 Ų | 179 | 125.6 Ų | 125.6 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | 37.2 | 133.3 | 124.7 | -42.6 | -63.2 | 0 | 0 | 0 | 123.7 | |||||
| 184 | H | 31.5 | Very low | 33.1 | Very low | 165 Ų | 165 | 125.8 Ų | 125.8 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | 150.2 | 123.3 | 119.2 | -89.8 | -50.5 | 0 | 0 | 0 | 110.5 | |||||
| 185 | I | 31 | Very low | 33.1 | Very low | 129 Ų | 129 | 123.6 Ų | 123.6 | 66% | 0.662 | 79% | 0.788 | S | S | * | * | 84.7 | 130.4 | 65.8 | -85.2 | 172.5 | 0 | 0 | 0 | 114.9 | |||||
| 186 | N | 33.4 | Very low | 33.1 | Very low | 144 Ų | 144 | 122.4 Ų | 122.4 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | 77.5 | 129.4 | 160.6 | -69.8 | -13.7 | 0 | 0 | 0 | 119.3 | ||||
| 187 | N | 30.3 | Very low | 33.1 | Very low | 136 Ų | 136 | 118.9 Ų | 118.9 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | cis | 116.3 | 142.9 | 20.3 | -165.2 | 30.8 | 0 | 0 | 0 | 110.3 | ||||
| 188 | R | 31.2 | Very low | 32.6 | Very low | 234 Ų | 234 | 117.2 Ų | 117.2 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | 71.3 | 137.7 | 178.6 | -64.8 | -179.6 | 167.8 | -169 | -4.8 | 115.6 | ||||
| 189 | G | 28.7 | Very low | 32.8 | Very low | 81 Ų | 81 | 115.3 Ų | 115.3 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | cis | 157.7 | 160.2 | 10.7 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 190 | G | 29.9 | Very low | 32.2 | Very low | 84 Ų | 84 | 114.4 Ų | 114.4 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | cis | -170.9 | 179.1 | -4 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 191 | G | 30.5 | Very low | 32.4 | Very low | 83 Ų | 83 | 120 Ų | 120 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | trans | 129.3 | 99 | 159 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 192 | G | 31.8 | Very low | 32.6 | Very low | 88 Ų | 88 | 120.5 Ų | 120.5 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | 93.9 | 112 | 126.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 193 | G | 34.2 | Very low | 33.2 | Very low | 83 Ų | 83 | 126.9 Ų | 126.9 | 86% | 0.856 | 83% | 0.833 | S | S | * | * | trans | 125 | 91.6 | 134.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 194 | G | 32.8 | Very low | 33.6 | Very low | 89 Ų | 89 | 124.4 Ų | 124.4 | 92% | 0.918 | 83% | 0.828 | S | S | * | * | trans | 86.6 | 109.9 | 130.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 195 | G | 32.6 | Very low | 33.6 | Very low | 85 Ų | 85 | 123.8 Ų | 123.8 | 88% | 0.876 | 83% | 0.825 | S | S | * | * | trans | 113.3 | 99.2 | 134 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 196 | G | 33.4 | Very low | 34 | Very low | 85 Ų | 85 | 123.2 Ų | 123.2 | 88% | 0.876 | 83% | 0.833 | S | S | * | * | trans | 90.7 | 97.6 | 131.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 197 | G | 35.6 | Very low | 34.1 | Very low | 91 Ų | 91 | 123.8 Ų | 123.8 | 94% | 0.938 | 84% | 0.836 | S | S | * | * | 81.6 | 99.9 | 128.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 198 | G | 34.1 | Very low | 34.6 | Very low | 83 Ų | 83 | 123 Ų | 123 | 86% | 0.856 | 84% | 0.838 | S | S | * | * | trans | 166.4 | 94.4 | 161 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 199 | A | 36.6 | Very low | 34.9 | Very low | 110 Ų | 110 | 117.9 Ų | 117.9 | 91% | 0.909 | 84% | 0.837 | S | S | * | * | trans | -77.3 | 146.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 200 | A | 35 | Very low | 35.9 | Very low | 97 Ų | 97 | 120 Ų | 120 | 80% | 0.802 | 83% | 0.833 | S | S | * | * | trans | -91.6 | 159.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 201 | Y | 36.5 | Very low | 36.4 | Very low | 221 Ų | 221 | 121.7 Ų | 121.7 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | trans | -145.4 | 106.9 | 148.1 | 58 | -94.7 | 0 | 0 | 0 | 107.1 | ||||
| 202 | H | 36.4 | Very low | 36.5 | Very low | 148 Ų | 148 | 127.1 Ų | 127.1 | 69% | 0.685 | 83% | 0.825 | S | S | * | * | 52.1 | 104.3 | 90.3 | -140.4 | 68.5 | 0 | 0 | 0 | 114.9 | |||||
| 203 | R | 42.8 | Very low | 36.5 | Very low | 249 Ų | 249 | 130.5 Ų | 130.5 | 94% | 0.94 | 82% | 0.821 | S | S | * | * | trans | -91.1 | 118.3 | 170.9 | -152.5 | -167.8 | -162 | -170.9 | 6.2 | 107.8 | ||||
| 204 | Q | 37 | Very low | 36.5 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 59% | 0.593 | 82% | 0.819 | S | S | * | * | trans | -139.6 | 121.3 | 170.6 | -84.3 | -157.7 | -31.4 | 0 | 0 | 109.2 | ||||
| 205 | H | 31.1 | Very low | 36.8 | Very low | 152 Ų | 152 | 139 Ų | 139 | 70% | 0.704 | 82% | 0.815 | S | S | * | * | trans | 52 | 135.2 | 141.1 | -34.9 | -50.9 | 0 | 0 | 0 | 120.2 | ||||
| 206 | S | 40 | Very low | 36.8 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 131.2 | 175.3 | 45 | 0 | 0 | 0 | 0 | 114.9 | ||
| 207 | D | 35.3 | Very low | 36.8 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -98 | 142 | 161.7 | -76.9 | -42.9 | 0 | 0 | 0 | 111.2 | ||
| 208 | P | 41.6 | Very low | 37 | Very low | 118 Ų | 118 | 150.8 Ų | 150.8 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 143.8 | -178.1 | 30 | -33.5 | 0 | 0 | 0 | 112.5 | V210 | P208-V210 PolarHBondContact O-N 3.27Š|
| 209 | C | 37.7 | Very low | 37.1 | Very low | 128 Ų | 128 | 155.8 Ų | 155.8 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 118.5 | 174.4 | -168.9 | 0 | 0 | 0 | 0 | 110.6 | ||
| 210 | V | 48.3 | Very low | 37.2 | Very low | 125 Ų | 125 | 158.8 Ų | 158.8 | 76% | 0.758 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 135.5 | 167 | -80.4 | 0 | 0 | 0 | 0 | 110.1 | P208 | P208-V210 PolarHBondContact O-N 3.27Š|
| 211 | P | 40.3 | Very low | 37.1 | Very low | 120 Ų | 120 | 163.7 Ų | 163.7 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -73 | 134.6 | 173.6 | 27.9 | -30.5 | 0 | 0 | 0 | 110.6 | L213 | P211-L213 PolarHBondContact O-N 2.83Š|
| 212 | Y | 34.1 | Very low | 37.4 | Very low | 196 Ų | 196 | 160.4 Ų | 160.4 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64 | 122.6 | 174.2 | -173.5 | -94.9 | 0 | 0 | 0 | 110.2 | Q214 | Y212-Q214 PolarHBondContact O-N 3.42Š|
| 213 | L | 30.3 | Very low | 38 | Very low | 159 Ų | 159 | 158.1 Ų | 158.1 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 126.5 | 172.5 | -91.3 | 165.1 | 0 | 0 | 0 | 110.1 | P211 Q215 | P211-L213 PolarHBondContact O-N 2.83Å; L213-Q215 PolarHBondContact O-N 2.79Å |
| 214 | Q | 35.3 | Very low | 38.6 | Very low | 175 Ų | 175 | 150.4 Ų | 150.4 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 125.3 | 169.2 | -80.4 | 176.2 | -38.7 | 0 | 0 | 110.5 | Y212 S216 | Y212-Q214 PolarHBondContact O-N 3.42Å; Q214-S216 PolarHBondContact O-N 2.93Å |
| 215 | Q | 38.8 | Very low | 39 | Very low | 176 Ų | 176 | 151.3 Ų | 151.3 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -67.9 | 97.1 | 165.7 | -82.1 | -175.3 | -55.6 | 0 | 0 | 109.3 | L213 | L213-Q215 PolarHBondContact O-N 2.79Š| ||
| 216 | S | 31.9 | Very low | 39.8 | Very low | 110 Ų | 110 | 153.9 Ų | 153.9 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -72.7 | 141.9 | 165.9 | -70.6 | 0 | 0 | 0 | 0 | 111.2 | Q214 | Q214-S216 PolarHBondContact O-N 2.93Š| ||
| 217 | F | 33.4 | Very low | 40.2 | Very low | 201 Ų | 201 | 154.5 Ų | 154.5 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | trans | -29.3 | 140.6 | 172 | -164.3 | -102.1 | 0 | 0 | 0 | 115.7 | Q219 | F217-Q219 PolarHBondContact O-N 3.2Å; F217-Q219 VanDerWaalsContact O-N 3.09Å | ||
| 218 | K | 39.7 | Very low | 40.6 | Very low | 197 Ų | 197 | 156.9 Ų | 156.9 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | trans | -54.1 | 113.6 | 176.3 | -73 | -178.7 | 174.2 | -177.9 | 0 | 110.7 | E220 | K218-E220 PolarHBondContact O-N 3.41Š| ||
| 219 | Q | 37.4 | Very low | 41.1 | Very low | 189 Ų | 189 | 155.2 Ų | 155.2 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | -74.2 | 113 | 163.1 | -172.2 | 96.5 | 31.9 | 0 | 0 | 108 | F217 | F217-Q219 PolarHBondContact O-N 3.2Å; F217-Q219 VanDerWaalsContact O-N 3.09Å | ||
| 220 | E | 37.9 | Very low | 41.6 | Very low | 173 Ų | 173 | 152.6 Ų | 152.6 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | trans | -75.2 | 122.2 | 173.4 | -162.8 | 165.1 | 171.1 | 0 | 0 | 108.9 | K218 L222 | K218-E220 PolarHBondContact O-N 3.41Å; E220-L222 PolarHBondContact O-N 3.45Å | ||
| 221 | Y | 32.6 | Very low | 41.7 | Very low | 200 Ų | 200 | 153.5 Ų | 153.5 | 78% | 0.784 | 75% | 0.751 | S | S | * | * | trans | -80.8 | 110.3 | 178.5 | -177 | -95 | 0 | 0 | 0 | 108.6 | D223 | Y221-D223 PolarHBondContact O-N 2.89Š| ||
| 222 | L | 42.6 | Very low | 42.1 | Very low | 151 Ų | 151 | 156.2 Ų | 156.2 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -72.7 | 122.2 | 170.3 | -104 | 78.7 | 0 | 0 | 0 | 109.7 | E220 P224 | E220-L222 PolarHBondContact O-N 3.45Å; L222-P224 WeakPolarHBondContact O-CD 3.11Å | ||
| 223 | D | 50.7 | Low | 42.7 | Very low | 101 Ų | 101 | 151.2 Ų | 151.2 | 54% | 0.54 | 76% | 0.755 | S | S | . | * | trans | -72.2 | 119.4 | 175.5 | -174.6 | -12.6 | 0 | 0 | 0 | 110.8 | Y221 M225 Y226 | Y221-D223 PolarHBondContact O-N 2.89Å; D223-M225 PolarHBondContact O-N 3.34Å; D223-M225 WeakPolarHBondContact OD1-CB 3.5Å; D223-M225 PolarHBondContact OD1-N 2.91Å; D223-Y226 PolarHBondContact O-N 3.48Å | ||
| 224 | P | 55.2 | Low | 43.2 | Very low | 86 Ų | 86 | 146.9 Ų | 146.9 | 56% | 0.558 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -11.8 | 179.5 | -21.8 | 32.5 | 0 | 0 | 0 | 115.1 | L222 Y226 | L222-P224 WeakPolarHBondContact O-CD 3.11Å; P224-Y226 VanDerWaalsContact C-N 3.32Å |
| 225 | M | 45.1 | Very low | 43.9 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -15.4 | 179.5 | -67.3 | -68.2 | -99 | 0 | 0 | 113.4 | D223 | D223-M225 PolarHBondContact O-N 3.34Å; D223-M225 WeakPolarHBondContact OD1-CB 3.5Å; D223-M225 PolarHBondContact OD1-N 2.91Å |
| 226 | Y | 46.7 | Very low | 43.6 | Very low | 206 Ų | 206 | 140.5 Ų | 140.5 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -30.4 | 177.2 | -169.5 | -104.7 | 0 | 0 | 0 | 112.6 | D223 P224 | D223-Y226 PolarHBondContact O-N 3.48Å; P224-Y226 VanDerWaalsContact C-N 3.32Å |
| 227 | E | 48.7 | Very low | 44.1 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 61% | 0.612 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -78.1 | -26.6 | -175.6 | -155.3 | 160 | -162.8 | 0 | 0 | 112.5 | A229 A230 H231 | E227-A229 VanDerWaalsContact C-N 3.27Å; E227-A229 PolarHBondContact O-N 3.19Å; E227-A230 PolarHBondContact O-N 3.15Å; E227-A230 VanDerWaalsContact O-N 3.15Å; E227-H231 PolarHBondContact O-CD2 2.99Å |
| 228 | R | 45.2 | Very low | 44.2 | Very low | 205 Ų | 205 | 138.6 Ų | 138.6 | 77% | 0.774 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -70.2 | -21 | 179.2 | -163.1 | 163.4 | -165.2 | 133.1 | 4.4 | 113.8 | ||
| 229 | A | 51.3 | Low | 44.2 | Very low | 83 Ų | 83 | 139.1 Ų | 139.1 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -79 | -23.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E227 | E227-A229 VanDerWaalsContact C-N 3.27Å; E227-A229 PolarHBondContact O-N 3.19Å |
| 230 | A | 48.6 | Very low | 44 | Very low | 73 Ų | 73 | 133.2 Ų | 133.2 | 60% | 0.603 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -80.6 | -19.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E227 M232 | E227-A230 PolarHBondContact O-N 3.15Å; E227-A230 VanDerWaalsContact O-N 3.15Å; A230-M232 PolarHBondContact O-N 3.32Å |
| 231 | H | 49.3 | Very low | 44 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 6.5 | -175.5 | -71.2 | -63.6 | 0 | 0 | 0 | 115.7 | E227 | E227-H231 PolarHBondContact O-CD2 2.99Š|
| 232 | M | 48.5 | Very low | 44.1 | Very low | 177 Ų | 177 | 128 Ų | 128 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 7.7 | -179.1 | -69.8 | -78.5 | -103.6 | 0 | 0 | 114.6 | A230 | A230-M232 PolarHBondContact O-N 3.32Š|
| 233 | A | 46.9 | Very low | 44.1 | Very low | 91 Ų | 91 | 130.5 Ų | 130.5 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | -106.2 | 103.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 234 | G | 41.3 | Very low | 43.9 | Very low | 68 Ų | 68 | 131.4 Ų | 131.4 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | -70 | 170.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 235 | P | 50.3 | Low | 43.7 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -85.3 | 132.5 | -163.8 | 33.8 | -32 | 0 | 0 | 0 | 112 | ||||
| 236 | G | 32.6 | Very low | 43.5 | Very low | 75 Ų | 75 | 130.3 Ų | 130.3 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -152.8 | 121.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 237 | H | 42.1 | Very low | 43.1 | Very low | 200 Ų | 200 | 127.7 Ų | 127.7 | 93% | 0.926 | 77% | 0.77 | S | S | * | * | trans | -60.1 | 148 | -175.2 | -73.5 | -91.2 | 0 | 0 | 0 | 115.3 | ||||
| 238 | G | 35.8 | Very low | 42.8 | Very low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | trans | 99.8 | 116.7 | 131.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 239 | Q | 39.4 | Very low | 42.9 | Very low | 209 Ų | 209 | 128.5 Ų | 128.5 | 98% | 0.977 | 79% | 0.787 | S | S | * | * | trans | 49.7 | 130.9 | 148 | -69.6 | -170.9 | -3.2 | 0 | 0 | 120.8 | ||||
| 240 | G | 33.2 | Very low | 42.4 | Very low | 65 Ų | 65 | 131 Ų | 131 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | 136.7 | 112.5 | 146.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 241 | H | 38.5 | Very low | 42.1 | Very low | 196 Ų | 196 | 136.6 Ų | 136.6 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | trans | 22.7 | 116.3 | 147.5 | -58.5 | -76.3 | 0 | 0 | 0 | 118.8 | ||||
| 242 | G | 33.7 | Very low | 41.6 | Very low | 68 Ų | 68 | 138.7 Ų | 138.7 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | -67.3 | 137.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 243 | F | 43.6 | Very low | 41.3 | Very low | 202 Ų | 202 | 138.6 Ų | 138.6 | 89% | 0.886 | 81% | 0.811 | S | S | * | * | trans | 85.2 | 121 | 158.5 | -62 | -79.3 | 0 | 0 | 0 | 119.4 | ||||
| 244 | P | 45.8 | Very low | 40.9 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | -136.1 | -165.9 | 120.5 | 47 | -34.5 | 0 | 0 | 0 | 110.8 | |||||
| 245 | P | 50.2 | Low | 41.1 | Very low | 122 Ų | 122 | 143 Ų | 143 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | -121.8 | 145.1 | -104.5 | 27 | -4.8 | 0 | 0 | 0 | 113.5 | |||||
| 246 | A | 41.1 | Very low | 40.3 | Very low | 89 Ų | 89 | 142.5 Ų | 142.5 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | trans | -104.4 | 104.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | M248 | A246-M248 PolarHBondContact O-N 3.05Š| ||
| 247 | H | 38.2 | Very low | 40.4 | Very low | 151 Ų | 151 | 148.8 Ų | 148.8 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | trans | -24.4 | 122.1 | 157.6 | 66.2 | -63.2 | 0 | 0 | 0 | 114.8 | ||||
| 248 | M | 42.5 | Very low | 40.4 | Very low | 178 Ų | 178 | 145.9 Ų | 145.9 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -106.1 | 117.1 | 156.2 | -70.2 | -174.4 | 70.6 | 0 | 0 | 107.5 | A246 V250 | A246-M248 PolarHBondContact O-N 3.05Å; M248-V250 PolarHBondContact O-N 3.18Å | ||
| 249 | M | 47 | Very low | 40.4 | Very low | 175 Ų | 175 | 153 Ų | 153 | 86% | 0.862 | 81% | 0.811 | S | S | * | * | trans | -73.6 | 102.8 | 177.1 | -56 | 177.2 | 79 | 0 | 0 | 108.2 | K251 | M249-K251 PolarHBondContact O-N 2.99Š| ||
| 250 | V | 42.6 | Very low | 40.5 | Very low | 134 Ų | 134 | 149.5 Ų | 149.5 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -77.9 | 117 | 168.6 | 177.3 | 0 | 0 | 0 | 0 | 107.6 | M248 Q252 | M248-V250 PolarHBondContact O-N 3.18Å; V250-Q252 PolarHBondContact O-N 2.61Å | ||
| 251 | K | 40.7 | Very low | 41.2 | Very low | 191 Ų | 191 | 151.8 Ų | 151.8 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | trans | -68.7 | 110.9 | 177.3 | -158 | 176 | 179.9 | -169.4 | 0 | 108.6 | M249 | M249-K251 PolarHBondContact O-N 2.99Š| ||
| 252 | Q | 38.7 | Very low | 41.6 | Very low | 189 Ų | 189 | 149.1 Ų | 149.1 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 126.9 | 168.9 | -110.2 | 172.4 | 21.6 | 0 | 0 | 109.5 | V250 | V250-Q252 PolarHBondContact O-N 2.61Š|
| 253 | E | 43.3 | Very low | 41.9 | Very low | 175 Ų | 175 | 152.4 Ų | 152.4 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 147.7 | 157.9 | -70.6 | -138 | 134.8 | 0 | 0 | 110.1 | ||
| 254 | P | 38 | Very low | 42.1 | Very low | 110 Ų | 110 | 148.9 Ų | 148.9 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 136.5 | -166.6 | -6.4 | 25.9 | 0 | 0 | 0 | 112.5 | D256 | P254-D256 PolarHBondContact O-N 3.35Š|
| 255 | T | 45 | Very low | 42.2 | Very low | 141 Ų | 141 | 146.6 Ų | 146.6 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | -62 | 115.3 | 158.5 | 20.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 256 | D | 34.9 | Very low | 41.4 | Very low | 132 Ų | 132 | 146.8 Ų | 146.8 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -132.3 | 117.9 | 161.8 | -86.3 | -43.6 | 0 | 0 | 0 | 111.5 | P254 | P254-D256 PolarHBondContact O-N 3.35Š| ||
| 257 | Y | 34.6 | Very low | 41.4 | Very low | 207 Ų | 207 | 148.7 Ų | 148.7 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | 58.4 | 109 | 145.3 | -77.6 | -92.9 | 0 | 0 | 0 | 122.2 | ||||
| 258 | T | 41.1 | Very low | 41.6 | Very low | 138 Ų | 138 | 146 Ų | 146 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | 15.3 | 111 | 128.5 | -50.9 | 0 | 0 | 0 | 0 | 117 | |||||
| 259 | Y | 37 | Very low | 41.5 | Very low | 221 Ų | 221 | 145.7 Ų | 145.7 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -119 | 127.3 | 162.9 | -168.6 | -98.6 | 0 | 0 | 0 | 110.1 | ||||
| 260 | E | 40.3 | Very low | 41.4 | Very low | 136 Ų | 136 | 147.8 Ų | 147.8 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | trans | -56.9 | 148.2 | 177.5 | -94.4 | -86.2 | 142.4 | 0 | 0 | 114 | ||||
| 261 | P | 49.5 | Very low | 41.5 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -96.9 | 95.1 | 173.9 | 35.4 | -25.6 | 0 | 0 | 0 | 111.3 | ||||
| 262 | D | 45.2 | Very low | 41.2 | Very low | 141 Ų | 141 | 149.7 Ų | 149.7 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | -147.4 | 83.3 | 166.5 | -99.4 | -38.9 | 0 | 0 | 0 | 112.1 | ||||
| 263 | V | 40.4 | Very low | 40.9 | Very low | 136 Ų | 136 | 145.4 Ų | 145.4 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -148.2 | 120.4 | 150.2 | -174 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 264 | P | 48.1 | Very low | 40.7 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | trans | -78.6 | 134.3 | 177.8 | -11.8 | 27.5 | 0 | 0 | 0 | 113.5 | ||||
| 265 | G | 47.3 | Very low | 40.5 | Very low | 72 Ų | 72 | 144.5 Ų | 144.5 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | 110.3 | 82.1 | 150.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 266 | C | 33.7 | Very low | 40.3 | Very low | 126 Ų | 126 | 149.2 Ų | 149.2 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -152.7 | 114.2 | 151.8 | -86.4 | 0 | 0 | 0 | 0 | 109.1 | S268 | C266-S268 PolarHBondContact O-N 3.2Š| ||
| 267 | P | 42.4 | Very low | 40.8 | Very low | 130 Ų | 130 | 148.7 Ų | 148.7 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | trans | -77.4 | 120.5 | 172.9 | 28.5 | -28.6 | 0 | 0 | 0 | 110.4 | ||||
| 268 | S | 40.7 | Very low | 40.8 | Very low | 93 Ų | 93 | 146.2 Ų | 146.2 | 65% | 0.65 | 81% | 0.81 | S | S | * | * | trans | -74.3 | 134.8 | 171.7 | -178 | 0 | 0 | 0 | 0 | 110.8 | C266 | C266-S268 PolarHBondContact O-N 3.2Š| ||
| 269 | M | 40.7 | Very low | 41.2 | Very low | 172 Ų | 172 | 145.1 Ų | 145.1 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -91.5 | 12.2 | -172.9 | -78.8 | -67.7 | -52.8 | 0 | 0 | 115 | ||
| 270 | Y | 46.1 | Very low | 41.2 | Very low | 220 Ų | 220 | 143.7 Ų | 143.7 | 86% | 0.863 | 81% | 0.806 | S | S | * | * | trans | -113.5 | 84.6 | 173.4 | -92.7 | -89.6 | 0 | 0 | 0 | 110 | ||||
| 271 | H | 44.4 | Very low | 41.3 | Very low | 174 Ų | 174 | 146 Ų | 146 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | trans | -96.9 | 120 | 164.4 | -91.2 | -75.2 | 0 | 0 | 0 | 110.1 | ||||
| 272 | H | 33.3 | Very low | 40.5 | Very low | 190 Ų | 190 | 146.5 Ų | 146.5 | 88% | 0.88 | 82% | 0.823 | S | S | * | * | trans | -50.9 | 129.2 | 161.6 | -90.2 | -95.9 | 0 | 0 | 0 | 110.3 | E274 | H272-E274 PolarHBondContact O-N 3.05Š| ||
| 273 | A | 33.3 | Very low | 40.6 | Very low | 100 Ų | 100 | 146.8 Ų | 146.8 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | trans | -94.2 | 87.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 274 | E | 39.8 | Very low | 40.7 | Very low | 193 Ų | 193 | 147.6 Ų | 147.6 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -140.2 | 123.7 | 154.4 | -68.3 | -159.3 | -176.9 | 0 | 0 | 109.6 | H272 | H272-E274 PolarHBondContact O-N 3.05Š| ||
| 275 | G | 33.3 | Very low | 41 | Very low | 73 Ų | 73 | 145.5 Ų | 145.5 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | trans | 118.5 | 99.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 276 | Y | 40.4 | Very low | 41.2 | Very low | 239 Ų | 239 | 148.7 Ų | 148.7 | 94% | 0.937 | 83% | 0.826 | S | S | * | * | trans | -74.6 | 140.7 | 164.6 | -76.8 | -92.6 | 0 | 0 | 0 | 110.8 | ||||
| 277 | P | 46.2 | Very low | 42.2 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | trans | -119.5 | 141.8 | 148.3 | 31 | -17.2 | 0 | 0 | 0 | 112.7 | ||||
| 278 | N | 33.1 | Very low | 42.6 | Very low | 155 Ų | 155 | 146.3 Ų | 146.3 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | trans | -69.4 | 143.9 | 178.2 | -161.2 | 25.1 | 0 | 0 | 0 | 111.3 | ||||
| 279 | P | 50.3 | Low | 43.4 | Very low | 116 Ų | 116 | 148.5 Ų | 148.5 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | -92.7 | 120.4 | -178.6 | 32.3 | -26.4 | 0 | 0 | 0 | 111.8 | ||||
| 280 | Q | 36 | Very low | 44.2 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -107.8 | 117.4 | 160.8 | -95.1 | 173.8 | -29.7 | 0 | 0 | 109.9 | ||||
| 281 | H | 42.4 | Very low | 44.8 | Very low | 183 Ų | 183 | 140.9 Ų | 140.9 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | trans | 0.2 | 121.5 | 153.9 | -115.6 | -95.9 | 0 | 0 | 0 | 117.2 | ||||
| 282 | S | 34.4 | Very low | 45.3 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | -164 | 135.5 | 125.6 | -80.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 283 | N | 46.5 | Very low | 46.4 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | -55.9 | 124.9 | -179.7 | -164.9 | 29.3 | 0 | 0 | 0 | 113.6 | ||||
| 284 | D | 42.7 | Very low | 47.5 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | trans | -160.1 | 127.3 | 146.9 | -91.1 | -33.5 | 0 | 0 | 0 | 110.9 | N286 | D284-N286 PolarHBondContact O-N 3.17Š| ||
| 285 | G | 53.6 | Low | 48.7 | Very low | 84 Ų | 84 | 131.1 Ų | 131.1 | 87% | 0.866 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -76.5 | 69.6 | -164.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 286 | N | 52.3 | Low | 49.7 | Very low | 139 Ų | 139 | 135.1 Ų | 135.1 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | -144.8 | 44.6 | 166 | -165 | 21.4 | 0 | 0 | 0 | 112.6 | D284 | D284-N286 PolarHBondContact O-N 3.17Š| ||
| 287 | S | 53.8 | Low | 50.3 | Low | 86 Ų | 86 | 127.3 Ų | 127.3 | 60% | 0.601 | 71% | 0.706 | S | S | * | * | trans | -98.9 | -14.8 | -177.1 | 59.9 | 0 | 0 | 0 | 0 | 114.7 | Y291 | S287-Y291 WeakPolarHBondContact O-CB 3.33Å; S287-Y291 PolarHBondContact O-N 3.07Å; S287-Y291 VanDerWaalsContact O-N 3.16Å | ||
| 288 | D | 51.1 | Low | 50.5 | Low | 119 Ų | 119 | 128.4 Ų | 128.4 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -79 | -32.4 | -165.9 | -152.4 | 37 | 0 | 0 | 0 | 113.8 | Q292 | D288-Q292 PolarHBondContact O-N 2.83Å |
| 289 | L | 57.3 | Low | 51.1 | Low | 139 Ų | 139 | 129.3 Ų | 129.3 | 73% | 0.728 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -78.1 | -32.2 | 178.1 | -115.1 | 129.2 | 0 | 0 | 0 | 112.9 | S293 | L289-S293 PolarHBondContact O-N 3.13Å |
| 290 | A | 57.9 | Low | 51.1 | Low | 68 Ų | 68 | 130.2 Ų | 130.2 | 56% | 0.562 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -71.2 | -37.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S293 F294 | A290-S293 PolarHBondContact O-N 3.47Å; A290-F294 WeakPolarHBondContact O-CB 3.47Å; A290-F294 PolarHBondContact O-N 3.33Å |
| 291 | Y | 58.5 | Low | 51.4 | Low | 164 Ų | 164 | 129 Ų | 129 | 64% | 0.643 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -67 | -40.5 | 176.9 | -136.5 | -102 | 0 | 0 | 0 | 112.4 | S287 F294 L295 | S287-Y291 WeakPolarHBondContact O-CB 3.33Å; S287-Y291 PolarHBondContact O-N 3.07Å; S287-Y291 VanDerWaalsContact O-N 3.16Å; Y291-F294 PolarHBondContact O-N 3.48Å; Y291-L295 HydrophobicContact CD1-CD1 3.72Å; Y291-L295 HydrophobicContact CD1-CG 4.37Å; Y291-L295 HydrophobicContact CE1-CD1 4.19Å; Y291-L295 WeakPolarHBondContact O-CB 3.45Å; Y291-L295 WeakPolarHBondContact O-CD1 3.17Å; Y291-L295 VanDerWaalsContact O-CG 3.29Å; Y291-L295 WeakPolarHBondContact O-CG 3.44Å; Y291-L295 PolarHBondContact O-N 3.03Å |
| 292 | Q | 55.9 | Low | 51.4 | Low | 131 Ų | 131 | 125.7 Ų | 125.7 | 61% | 0.612 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -68.1 | -38.3 | 175 | -89.5 | -177.8 | 22.5 | 0 | 0 | 113.5 | D288 F294 K296 | D288-Q292 PolarHBondContact O-N 2.83Å; Q292-F294 VanDerWaalsContact C-N 3.32Å; Q292-K296 WeakPolarHBondContact O-CB 3.29Å; Q292-K296 PolarHBondContact O-N 2.96Å |
| 293 | S | 54.7 | Low | 51.7 | Low | 75 Ų | 75 | 124.8 Ų | 124.8 | 52% | 0.524 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -67.4 | -35.2 | 175.5 | -164.9 | 0 | 0 | 0 | 0 | 111.7 | L289 A290 C297 | L289-S293 PolarHBondContact O-N 3.13Å; A290-S293 PolarHBondContact O-N 3.47Å; S293-C297 PolarHBondContact O-N 2.89Å; S293-C297 PolarHBondContact O-SG 3.35Å |
| 294 | F | 58.1 | Low | 51.4 | Low | 161 Ų | 161 | 124.9 Ų | 124.9 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -70.9 | -41.2 | 176.4 | -146.1 | -93.4 | 0 | 0 | 0 | 112.1 | A290 Y291 Q292 K296 C297 R298 | A290-F294 WeakPolarHBondContact O-CB 3.47Å; A290-F294 PolarHBondContact O-N 3.33Å; Y291-F294 PolarHBondContact O-N 3.48Å; Q292-F294 VanDerWaalsContact C-N 3.32Å; F294-K296 PolarHBondContact O-N 2.9Å; F294-C297 PolarHBondContact O-N 3.24Å; F294-R298 VanDerWaalsContact O-CB 3.31Å; F294-R298 WeakPolarHBondContact O-CB 3.31Å; F294-R298 PolarHBondContact O-N 2.93Å |
| 295 | L | 63.2 | Low | 51.5 | Low | 85 Ų | 85 | 122.6 Ų | 122.6 | 45% | 0.445 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -66.5 | -33.3 | 175.9 | -75.4 | 165 | 0 | 0 | 0 | 112.8 | Y291 R298 Y299 | Y291-L295 HydrophobicContact CD1-CD1 3.72Å; Y291-L295 HydrophobicContact CD1-CG 4.37Å; Y291-L295 HydrophobicContact CE1-CD1 4.19Å; Y291-L295 WeakPolarHBondContact O-CB 3.45Å; Y291-L295 WeakPolarHBondContact O-CD1 3.17Å; Y291-L295 VanDerWaalsContact O-CG 3.29Å; Y291-L295 WeakPolarHBondContact O-CG 3.44Å; Y291-L295 PolarHBondContact O-N 3.03Å; L295-R298 PolarHBondContact O-N 3.12Å; L295-Y299 PolarHBondContact O-N 3.32Å |
| 296 | K | 54.9 | Low | 50.9 | Low | 158 Ų | 158 | 129 Ų | 129 | 69% | 0.687 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.5 | -37.2 | 177.5 | -164.5 | 171.4 | -175.1 | 175.3 | 0 | 112.9 | Q292 F294 L300 | Q292-K296 WeakPolarHBondContact O-CB 3.29Å; Q292-K296 PolarHBondContact O-N 2.96Å; F294-K296 PolarHBondContact O-N 2.9Å; K296-L300 WeakPolarHBondContact O-CG 3.43Å; K296-L300 PolarHBondContact O-N 3.39Å |
| 297 | C | 54 | Low | 50.2 | Low | 74 Ų | 74 | 127.7 Ų | 127.7 | 50% | 0.5 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -67.6 | -38.7 | 169.6 | -69.8 | 0 | 0 | 0 | 0 | 111 | S293 F294 L300 F301 | S293-C297 PolarHBondContact O-N 2.89Å; S293-C297 PolarHBondContact O-SG 3.35Å; F294-C297 PolarHBondContact O-N 3.24Å; C297-L300 PolarHBondContact O-N 3.27Å; C297-F301 WeakPolarHBondContact O-CD2 3.41Å; C297-F301 PolarHBondContact O-N 3.19Å |
| 298 | R | 49.4 | Very low | 49.4 | Very low | 144 Ų | 144 | 129.9 Ų | 129.9 | 54% | 0.543 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -64.2 | -42.5 | 177.5 | -166.9 | -177.1 | 163.2 | 116.4 | 6.9 | 112.7 | F294 L295 L300 F301 E302 | F294-R298 VanDerWaalsContact O-CB 3.31Å; F294-R298 WeakPolarHBondContact O-CB 3.31Å; F294-R298 PolarHBondContact O-N 2.93Å; L295-R298 PolarHBondContact O-N 3.12Å; R298-L300 VanDerWaalsContact C-N 3.32Å; R298-L300 PolarHBondContact O-N 3.02Å; R298-F301 PolarHBondContact O-N 3.48Å; R298-E302 WeakPolarHBondContact CG-OE2 3.34Å; R298-E302 IonicContact CZ-OE1 2.86Å; R298-E302 IonicContact CZ-OE2 3.55Å; R298-E302 IonicContact NE-OE1 3.72Å; R298-E302 IonicContact NE-OE2 3.71Å; R298-E302 PolarHBondContact NE-OE2 2.98Å; R298-E302 IonicContact NH2-OE1 3.76Å; R298-E302 PolarHBondContact NH2-OE1 3.25Å; R298-E302 IonicContact NH2-OE2 2.98Å; R298-E302 WeakPolarHBondContact O-CB 3.49Å; R298-E302 PolarHBondContact O-N 3.47Å; R298-E302 VanDerWaalsContact O-N 3.13Å |
| 299 | Y | 46.1 | Very low | 48.8 | Very low | 175 Ų | 175 | 129.9 Ų | 129.9 | 69% | 0.686 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.6 | -23.4 | 179.6 | -117.4 | -92.1 | 0 | 0 | 0 | 114.9 | L295 | L295-Y299 PolarHBondContact O-N 3.32Å |
| 300 | L | 50.1 | Low | 47.9 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 70% | 0.702 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -81.1 | -24.7 | 176.1 | -74.1 | 168.7 | 0 | 0 | 0 | 112.7 | K296 C297 R298 | K296-L300 WeakPolarHBondContact O-CG 3.43Å; K296-L300 PolarHBondContact O-N 3.39Å; C297-L300 PolarHBondContact O-N 3.27Å; R298-L300 VanDerWaalsContact C-N 3.32Å; R298-L300 PolarHBondContact O-N 3.02Å |
| 301 | F | 43 | Very low | 46.9 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 73% | 0.728 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -91.4 | -24.6 | 176.6 | -84.1 | -84.4 | 0 | 0 | 0 | 113.8 | C297 R298 N303 D304 | C297-F301 WeakPolarHBondContact O-CD2 3.41Å; C297-F301 PolarHBondContact O-N 3.19Å; R298-F301 PolarHBondContact O-N 3.48Å; F301-N303 PolarHBondContact O-N 3.41Å; F301-D304 PolarHBondContact O-N 2.98Å |
| 302 | E | 42.2 | Very low | 45.7 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 53% | 0.528 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.3 | 1.4 | -175.2 | -139 | 146.6 | -171.1 | 0 | 0 | 114.2 | R298 | R298-E302 WeakPolarHBondContact CG-OE2 3.34Å; R298-E302 IonicContact CZ-OE1 2.86Å; R298-E302 IonicContact CZ-OE2 3.55Å; R298-E302 IonicContact NE-OE1 3.72Å; R298-E302 IonicContact NE-OE2 3.71Å; R298-E302 PolarHBondContact NE-OE2 2.98Å; R298-E302 IonicContact NH2-OE1 3.76Å; R298-E302 PolarHBondContact NH2-OE1 3.25Å; R298-E302 IonicContact NH2-OE2 2.98Å; R298-E302 WeakPolarHBondContact O-CB 3.49Å; R298-E302 PolarHBondContact O-N 3.47Å; R298-E302 VanDerWaalsContact O-N 3.13Å |
| 303 | N | 39.6 | Very low | 44.9 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 57% | 0.567 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -1.5 | 174.8 | -85.4 | -68.3 | 0 | 0 | 0 | 115.4 | F301 | F301-N303 PolarHBondContact O-N 3.41Š|
| 304 | D | 40.3 | Very low | 43.9 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 79% | 0.786 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -126.1 | 31.2 | -174 | -138.6 | -6.7 | 0 | 0 | 0 | 114.2 | F301 | F301-D304 PolarHBondContact O-N 2.98Š|
| 305 | S | 45.4 | Very low | 43.1 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | trans | -144.8 | 72.9 | 173.7 | -60.7 | 0 | 0 | 0 | 0 | 110.8 | V307 | S305-V307 PolarHBondContact O-N 2.91Å; S305-V307 VanDerWaalsContact O-N 3.15Å | ||
| 306 | R | 40.2 | Very low | 41.9 | Very low | 217 Ų | 217 | 142.4 Ų | 142.4 | 82% | 0.819 | 71% | 0.713 | S | S | * | * | trans | -80.5 | 94 | 169.2 | -79.2 | -170.8 | 179.9 | 92.6 | 1.1 | 111.2 | ||||
| 307 | V | 39.1 | Very low | 41.1 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | trans | 71.4 | 95.6 | 133.5 | -151.8 | 0 | 0 | 0 | 0 | 119.5 | S305 P309 | S305-V307 PolarHBondContact O-N 2.91Å; S305-V307 VanDerWaalsContact O-N 3.15Å; V307-P309 HydrophobicContact CG1-CG 4.1Å | ||
| 308 | V | 35.7 | Very low | 40.6 | Very low | 132 Ų | 132 | 149.2 Ų | 149.2 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | trans | -98.3 | 121.3 | 143 | 177.2 | 0 | 0 | 0 | 0 | 107.1 | E310 | V308-E310 PolarHBondContact O-N 3.2Š| ||
| 309 | P | 40.1 | Very low | 39.7 | Very low | 118 Ų | 118 | 151.3 Ų | 151.3 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | trans | -81.9 | 111.8 | 165 | -5.6 | 23 | 0 | 0 | 0 | 109.3 | V307 | V307-P309 HydrophobicContact CG1-CG 4.1Š| ||
| 310 | E | 37.7 | Very low | 39.4 | Very low | 149 Ų | 149 | 148.2 Ų | 148.2 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | trans | -98.2 | 121.5 | 166.9 | -140.3 | -171.9 | 146.9 | 0 | 0 | 109 | V308 | V308-E310 PolarHBondContact O-N 3.2Š| ||
| 311 | K | 37.4 | Very low | 38.5 | Very low | 174 Ų | 174 | 145.7 Ų | 145.7 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | trans | 67.1 | 103.3 | 160.4 | -32.2 | -169.5 | -170.9 | 172.4 | 0 | 118.2 | ||||
| 312 | F | 33.3 | Very low | 38.1 | Very low | 189 Ų | 189 | 141.3 Ų | 141.3 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | trans | -124.5 | 103.9 | 145.7 | -170.8 | -104.7 | 0 | 0 | 0 | 108.3 | ||||
| 313 | E | 39.5 | Very low | 37.8 | Very low | 195 Ų | 195 | 142.8 Ų | 142.8 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -72.2 | 121.5 | 154.4 | -87.6 | 176.9 | 145.9 | 0 | 0 | 107.3 | ||||
| 314 | G | 32.8 | Very low | 37.6 | Very low | 49 Ų | 49 | 145.8 Ų | 145.8 | 51% | 0.505 | 80% | 0.796 | S | S | . | * | trans | 171.6 | 95.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | V316 | G314-V316 PolarHBondContact O-N 3.49Š| ||
| 315 | E | 41.3 | Very low | 37.4 | Very low | 197 Ų | 197 | 150.8 Ų | 150.8 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -58 | 103.5 | 170.3 | -179.2 | -166.5 | 166.7 | 0 | 0 | 111.3 | ||||
| 316 | V | 37.2 | Very low | 37 | Very low | 133 Ų | 133 | 153.7 Ų | 153.7 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | -152.6 | 111.5 | 155 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | G314 | G314-V316 PolarHBondContact O-N 3.49Š| ||
| 317 | K | 39.3 | Very low | 36.7 | Very low | 190 Ų | 190 | 145.6 Ų | 145.6 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | 17.5 | 107.5 | 141.8 | -145.9 | 172.6 | 177.9 | -173 | 0 | 119.3 | ||||
| 318 | Q | 42.9 | Very low | 36.6 | Very low | 185 Ų | 185 | 145 Ų | 145 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -7.4 | 122.8 | 141 | -179.5 | 180 | 79.8 | 0 | 0 | 116.8 | ||||
| 319 | E | 31.5 | Very low | 36.9 | Very low | 189 Ų | 189 | 144.3 Ų | 144.3 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -152.1 | 149.3 | 140.5 | -66 | -149.9 | 171.4 | 0 | 0 | 110.8 | ||||
| 320 | A | 38.2 | Very low | 37.2 | Very low | 110 Ų | 110 | 146.4 Ų | 146.4 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | -90.9 | 157.6 | -163.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 321 | G | 31.4 | Very low | 37.6 | Very low | 80 Ų | 80 | 144.8 Ų | 144.8 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | 138.1 | 106.4 | 144.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 322 | G | 34.8 | Very low | 38.1 | Very low | 74 Ų | 74 | 146.3 Ų | 146.3 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | trans | 71.7 | 129.8 | 151.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 323 | V | 35.2 | Very low | 39.3 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 87% | 0.873 | 76% | 0.758 | S | S | * | * | cis | -152.4 | 131.7 | 49.3 | 177 | 0 | 0 | 0 | 0 | 110.3 | R325 | V323-R325 PolarHBondContact O-N 3.15Š| ||
| 324 | F | 36.1 | Very low | 40.3 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 75% | 0.746 | 75% | 0.749 | S | S | * | * | trans | -13.6 | 109.6 | 165.3 | -121.9 | -121.4 | 0 | 0 | 0 | 116.9 | E326 | F324-E326 HydrophobicContact CD1-CB 3.68Å; F324-E326 HydrophobicContact CD1-CG 4.13Å; F324-E326 HydrophobicContact CE1-CB 3.78Å; F324-E326 HydrophobicContact CE1-CG 3.69Å | ||
| 325 | R | 35.5 | Very low | 42.6 | Very low | 251 Ų | 251 | 138.7 Ų | 138.7 | 95% | 0.947 | 75% | 0.745 | S | S | * | * | trans | -99.6 | 100.9 | 140.9 | -140.7 | -165.7 | -168.3 | -138.6 | 3.6 | 105.5 | V323 G327 | V323-R325 PolarHBondContact O-N 3.15Å; R325-G327 PolarHBondContact O-N 3.17Å | ||
| 326 | E | 38.2 | Very low | 45 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 79% | 0.79 | 71% | 0.706 | S | S | * | * | trans | -64.7 | 84.8 | 174 | -163.5 | 161.3 | -161.8 | 0 | 0 | 108.6 | F324 | F324-E326 HydrophobicContact CD1-CB 3.68Å; F324-E326 HydrophobicContact CD1-CG 4.13Å; F324-E326 HydrophobicContact CE1-CB 3.78Å; F324-E326 HydrophobicContact CE1-CG 3.69Å | ||
| 327 | G | 34.3 | Very low | 47.7 | Very low | 46 Ų | 46 | 126.1 Ų | 126.1 | 47% | 0.474 | 68% | 0.678 | S | S | . | * | trans | -95.2 | 129.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | R325 | R325-G327 PolarHBondContact O-N 3.17Š| ||
| 328 | T | 36.5 | Very low | 50.4 | Low | 102 Ų | 102 | 117.2 Ų | 117.2 | 63% | 0.626 | 64% | 0.639 | S | S | * | * | trans | -44.1 | 143.9 | 172.7 | 45.1 | 0 | 0 | 0 | 0 | 111.7 | Y330 | T328-Y330 PolarHBondContact O-N 3.29Š| ||
| 329 | P | 41.2 | Very low | 52.9 | Low | 117 Ų | 117 | 110 Ų | 110 | 76% | 0.76 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -71.8 | 17.8 | -160 | 27.9 | -35.6 | 0 | 0 | 0 | 116.6 | ||
| 330 | Y | 47.2 | Very low | 56 | Low | 162 Ų | 162 | 103.5 Ų | 103.5 | 64% | 0.635 | 57% | 0.574 | S | S | * | * | trans | -97.3 | 14.8 | -171.5 | -60.6 | -71.9 | 0 | 0 | 0 | 114.8 | T328 R332 | T328-Y330 PolarHBondContact O-N 3.29Å; Y330-R332 PolarHBondContact O-N 3.27Å | ||
| 331 | Q | 46.6 | Very low | 58.8 | Low | 115 Ų | 115 | 99 Ų | 99 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | trans | -84.1 | 40.7 | -168.3 | -141.5 | 148.8 | -1.5 | 0 | 0 | 114.7 | R333 | Q331-R333 PolarHBondContact O-N 3.36Š| ||
| 332 | R | 46.8 | Very low | 61.9 | Low | 206 Ų | 206 | 95.2 Ų | 95.2 | 78% | 0.777 | 49% | 0.494 | S | S | * | . | trans | -79.7 | 91.2 | 155.2 | -83 | -143.1 | -70.9 | -140.1 | -2 | 108.6 | Y330 G334 | Y330-R332 PolarHBondContact O-N 3.27Å; R332-G334 PolarHBondContact O-N 3.08Å | ||
| 333 | R | 58 | Low | 64.8 | Low | 142 Ų | 142 | 94.2 Ų | 94.2 | 54% | 0.536 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -14.7 | -176.3 | -82.4 | -152.1 | 179.4 | -84 | 3.6 | 115.9 | Q331 Q379 | Q331-R333 PolarHBondContact O-N 3.36Å; R333-Q379 PolarHBondContact NH1-O 3.39Å |
| 334 | G | 60.5 | Low | 67.7 | Low | 70 Ų | 70 | 89.5 Ų | 89.5 | 72% | 0.722 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -49.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R332 K380 | R332-G334 PolarHBondContact O-N 3.08Å; G334-K380 PolarHBondContact O-NZ 3.4Å |
| 335 | S | 82.6 | Confident | 70.7 | Confident | 60 Ų | 60 | 82.4 Ų | 82.4 | 42% | 0.42 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 2.4 | -164.8 | 61.8 | 0 | 0 | 0 | 0 | 115.7 | Q337 | S335-Q337 PolarHBondContact O-N 2.72Å; S335-Q337 VanDerWaalsContact O-N 3.13Å |
| 336 | L | 91.4 | Very high | 73.6 | Confident | 20 Ų | 20 | 70.8 Ų | 70.8 | 11% | 0.105 | 38% | 0.376 | C | S | . | . | trans | -56.6 | 123.6 | -179.3 | -171.9 | 71.1 | 0 | 0 | 0 | 110.8 | Q340 F341 W376 Q379 K380 | L336-Q340 HydrophobicContact CD1-CB 3.72Å; L336-F341 HydrophobicContact CD2-CB 4.2Å; L336-W376 HydrophobicContact CD2-CZ3 4.3Å; L336-W376 WeakPolarHBondContact O-CH2 3.23Å; L336-Q379 HydrophobicContact CD2-CG 3.64Å; L336-Q379 VanDerWaalsContact CD2-NE2 3.3Å; L336-K380 PolarHBondContact O-NZ 3.37Å; L336-K380 VanDerWaalsContact O-NZ 3.11Å | ||
| 337 | Q | 94.2 | Very high | 76.4 | Confident | 47 Ų | 47 | 69 Ų | 69 | 22% | 0.22 | 37% | 0.372 | C | S | . | . | trans | -89.9 | 156.6 | 177.2 | -63.1 | -165.2 | -13 | 0 | 0 | 111.1 | S335 W339 Q340 F341 P428 | S335-Q337 PolarHBondContact O-N 2.72Å; S335-Q337 VanDerWaalsContact O-N 3.13Å; Q337-W339 VanDerWaalsContact C-N 3.33Å; Q337-W339 PolarHBondContact O-N 2.99Å; Q337-W339 VanDerWaalsContact OE1-CD1 3.25Å; Q337-Q340 HydrophobicContact CB-CG 4.4Å; Q337-Q340 PolarHBondContact O-N 2.93Å; Q337-F341 PolarHBondContact O-N 2.99Å; Q337-F341 VanDerWaalsContact O-N 3.15Å; Q337-P428 HydrophobicContact CG-CB 4.31Å; Q337-P428 PolarHBondContact NE2-O 3.44Å | ||
| 338 | L | 96.3 | Very high | 79.3 | Confident | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.6 | -41.8 | -177 | 172.5 | 67.7 | 0 | 0 | 0 | 111.4 | Q340 F341 L342 W376 L390 S393 L394 Y397 | L338-Q340 VanDerWaalsContact C-N 3.3Å; L338-Q340 PolarHBondContact O-N 3.19Å; L338-F341 HydrophobicContact CD1-CD1 4.11Å; L338-F341 WeakPolarHBondContact O-CB 3.26Å; L338-F341 PolarHBondContact O-N 3.48Å; L338-F341 VanDerWaalsContact O-N 3.17Å; L338-L342 HydrophobicContact CD1-CD1 4.34Å; L338-L342 HydrophobicContact CD1-CD2 4.34Å; L338-L342 HydrophobicContact CD1-CG 4.1Å; L338-L342 HydrophobicContact CG-CD1 4.03Å; L338-L342 HydrophobicContact CG-CG 4.23Å; L338-L342 WeakPolarHBondContact O-CG 3.4Å; L338-L342 PolarHBondContact O-N 2.76Å; L338-W376 HydrophobicContact CB-CH2 4.27Å; L338-W376 HydrophobicContact CB-CZ2 3.94Å; L338-W376 HydrophobicContact CD1-CB 4.48Å; L338-W376 HydrophobicContact CD1-CD2 3.77Å; L338-W376 HydrophobicContact CD1-CE3 4.23Å; L338-W376 HydrophobicContact CD1-CG 3.87Å; L338-W376 HydrophobicContact CD1-CZ2 4.44Å; L338-L390 HydrophobicContact CD1-CD1 3.87Å; L338-L390 HydrophobicContact CD1-CD2 4.44Å; L338-L390 HydrophobicContact CD1-CG 3.97Å; L338-L390 HydrophobicContact CD2-CD2 3.87Å; L338-L390 HydrophobicContact CD2-CG 3.78Å; L338-S393 VanDerWaalsContact CD2-CB 3.44Å; L338-L394 HydrophobicContact CD2-CD2 4.33Å; L338-L394 HydrophobicContact CD2-CG 4.37Å; L338-Y397 HydrophobicContact CB-CE2 3.91Å; L338-Y397 HydrophobicContact CD2-CE2 4.04Å; L338-Y397 HydrophobicContact CG-CE2 4.15Å; L338-Y397 PolarHBondContact N-OH 2.86Å |
| 339 | W | 95.1 | Very high | 82 | Confident | 33 Ų | 33 | 71 Ų | 71 | 13% | 0.125 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62 | -38.7 | -179.4 | 73.4 | -99.9 | 0 | 0 | 0 | 112.4 | Q337 F341 L342 V343 Y397 M403 F415 L425 | Q337-W339 VanDerWaalsContact C-N 3.33Å; Q337-W339 PolarHBondContact O-N 2.99Å; Q337-W339 VanDerWaalsContact OE1-CD1 3.25Å; W339-F341 VanDerWaalsContact C-N 3.32Å; W339-F341 PolarHBondContact O-N 2.79Å; W339-L342 PolarHBondContact O-N 3.08Å; W339-V343 HydrophobicContact CE3-CG2 4.28Å; W339-V343 WeakPolarHBondContact O-CG2 3.38Å; W339-V343 PolarHBondContact O-N 3.39Å; W339-Y397 HydrophobicContact CB-CD2 4.39Å; W339-Y397 HydrophobicContact CB-CE2 3.91Å; W339-Y397 AromaticContact CD1-CZ 3.88Å; W339-Y397 PolarHBondContact N-OH 3.13Å; W339-M403 HydrophobicContact CB-CE 3.7Å; W339-F415 HydrophobicContact CB-CE1 4.07Å; W339-F415 HydrophobicContact CE3-CE1 4.43Å; W339-L425 HydrophobicContact CD2-CD2 3.35Å; W339-L425 VanDerWaalsContact CE2-CD2 3.43Å; W339-L425 HydrophobicContact CE3-CD2 3.48Å; W339-L425 VanDerWaalsContact CE3-CD2 3.48Å; W339-L425 HydrophobicContact CG-CD2 3.99Å; W339-L425 HydrophobicContact CH2-CB 4.17Å; W339-L425 HydrophobicContact CH2-CD2 3.77Å; W339-L425 HydrophobicContact CZ2-CB 4.23Å; W339-L425 HydrophobicContact CZ2-CD2 3.66Å; W339-L425 WeakPolarHBondContact CZ2-O 3.41Å; W339-L425 HydrophobicContact CZ3-CD2 3.7Å |
| 340 | Q | 94.9 | Very high | 84.6 | Confident | 53 Ų | 53 | 67.4 Ų | 67.4 | 25% | 0.248 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 176.1 | -64.4 | 171.1 | -35.9 | 0 | 0 | 110.7 | L336 Q337 L338 V343 A344 | L336-Q340 HydrophobicContact CD1-CB 3.72Å; Q337-Q340 HydrophobicContact CB-CG 4.4Å; Q337-Q340 PolarHBondContact O-N 2.93Å; L338-Q340 VanDerWaalsContact C-N 3.3Å; L338-Q340 PolarHBondContact O-N 3.19Å; Q340-V343 PolarHBondContact O-N 3.13Å; Q340-A344 PolarHBondContact O-N 2.97Å |
| 341 | F | 97.1 | Very high | 87 | Confident | 16 Ų | 16 | 61.1 Ų | 61.1 | 7% | 0.07 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 175.2 | 171.5 | -102.1 | 0 | 0 | 0 | 112.3 | L336 Q337 L338 W339 A344 L345 L375 W376 Q379 | L336-F341 HydrophobicContact CD2-CB 4.2Å; Q337-F341 PolarHBondContact O-N 2.99Å; Q337-F341 VanDerWaalsContact O-N 3.15Å; L338-F341 HydrophobicContact CD1-CD1 4.11Å; L338-F341 WeakPolarHBondContact O-CB 3.26Å; L338-F341 PolarHBondContact O-N 3.48Å; L338-F341 VanDerWaalsContact O-N 3.17Å; W339-F341 VanDerWaalsContact C-N 3.32Å; W339-F341 PolarHBondContact O-N 2.79Å; F341-A344 PolarHBondContact O-N 2.9Å; F341-L345 HydrophobicContact CD1-CD1 4.18Å; F341-L345 HydrophobicContact CE1-CD1 3.46Å; F341-L345 VanDerWaalsContact CE1-CD1 3.46Å; F341-L345 HydrophobicContact CE1-CG 4.17Å; F341-L345 HydrophobicContact CE2-CD1 4.3Å; F341-L345 HydrophobicContact CE2-CD2 4.27Å; F341-L345 HydrophobicContact CE2-CG 4.23Å; F341-L345 HydrophobicContact CZ-CD1 3.54Å; F341-L345 HydrophobicContact CZ-CD2 4.17Å; F341-L345 HydrophobicContact CZ-CG 3.96Å; F341-L345 WeakPolarHBondContact O-CG 3.48Å; F341-L345 PolarHBondContact O-N 3.25Å; F341-L375 HydrophobicContact CZ-CB 3.75Å; F341-W376 HydrophobicContact CB-CE3 3.77Å; F341-W376 HydrophobicContact CB-CZ3 3.56Å; F341-W376 HydrophobicContact CD1-CB 4.17Å; F341-W376 HydrophobicContact CD1-CD2 4.18Å; F341-W376 AromaticContact CD1-CE3 3.5Å; F341-W376 HydrophobicContact CD1-CE3 3.5Å; F341-W376 HydrophobicContact CD1-CG 4.49Å; F341-W376 HydrophobicContact CD1-CZ3 4.21Å; F341-W376 HydrophobicContact CD2-CE3 4.01Å; F341-W376 HydrophobicContact CD2-CZ3 4.34Å; F341-W376 HydrophobicContact CE1-CB 3.68Å; F341-W376 HydrophobicContact CE1-CE3 4.05Å; F341-W376 HydrophobicContact CE1-CG 4.45Å; F341-W376 HydrophobicContact CE2-CE3 4.5Å; F341-W376 AromaticContact CG-CE3 3.46Å; F341-W376 HydrophobicContact CG-CE3 3.46Å; F341-W376 VanDerWaalsContact CG-CE3 3.46Å; F341-W376 AromaticContact CG-CZ3 3.78Å; F341-W376 HydrophobicContact CG-CZ3 3.78Å; F341-W376 HydrophobicContact CZ-CB 4.25Å; F341-Q379 HydrophobicContact CD2-CB 4.22Å; F341-Q379 HydrophobicContact CD2-CG 3.95Å; F341-Q379 HydrophobicContact CE2-CB 3.99Å; F341-Q379 HydrophobicContact CE2-CG 4.19Å |
| 342 | L | 97.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 176.8 | -66.1 | 173.1 | 0 | 0 | 0 | 111.6 | L338 W339 A344 L345 L346 I355 F364 L366 V372 L394 M403 | L338-L342 HydrophobicContact CD1-CD1 4.34Å; L338-L342 HydrophobicContact CD1-CD2 4.34Å; L338-L342 HydrophobicContact CD1-CG 4.1Å; L338-L342 HydrophobicContact CG-CD1 4.03Å; L338-L342 HydrophobicContact CG-CG 4.23Å; L338-L342 WeakPolarHBondContact O-CG 3.4Å; L338-L342 PolarHBondContact O-N 2.76Å; W339-L342 PolarHBondContact O-N 3.08Å; L342-A344 VanDerWaalsContact C-N 3.32Å; L342-A344 PolarHBondContact O-N 2.98Å; L342-L345 PolarHBondContact O-N 2.86Å; L342-L346 VanDerWaalsContact O-CB 3.32Å; L342-L346 WeakPolarHBondContact O-CB 3.32Å; L342-L346 WeakPolarHBondContact O-CD1 3.35Å; L342-L346 VanDerWaalsContact O-CG 3.24Å; L342-L346 WeakPolarHBondContact O-CG 3.25Å; L342-L346 PolarHBondContact O-N 3.07Å; L342-I355 HydrophobicContact CB-CD1 4.5Å; L342-I355 HydrophobicContact CD2-CD1 3.8Å; L342-F364 HydrophobicContact CD1-CE2 4.39Å; L342-F364 HydrophobicContact CD1-CZ 4.2Å; L342-L366 HydrophobicContact CD2-CD2 4.2Å; L342-V372 HydrophobicContact CD2-CG1 3.62Å; L342-L394 HydrophobicContact CD1-CD2 3.72Å; L342-M403 HydrophobicContact CD1-CE 4.15Å |
| 343 | V | 96.3 | Very high | 91.8 | Very high | 53 Ų | 53 | 54.2 Ų | 54.2 | 32% | 0.321 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 174 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | W339 Q340 L345 L346 D347 F415 | W339-V343 HydrophobicContact CE3-CG2 4.28Å; W339-V343 WeakPolarHBondContact O-CG2 3.38Å; W339-V343 PolarHBondContact O-N 3.39Å; Q340-V343 PolarHBondContact O-N 3.13Å; V343-L345 VanDerWaalsContact C-N 3.32Å; V343-L345 PolarHBondContact O-N 3.12Å; V343-L346 CarbonylContact O-C 3.53Å; V343-L346 PolarHBondContact O-N 2.71Å; V343-L346 VanDerWaalsContact O-N 3.12Å; V343-D347 PolarHBondContact O-N 2.6Å; V343-F415 HydrophobicContact CG2-CE1 4.01Å; V343-F415 HydrophobicContact CG2-CE2 3.99Å; V343-F415 HydrophobicContact CG2-CZ 3.48Å; V343-F415 VanDerWaalsContact CG2-CZ 3.48Å |
| 344 | A | 96.3 | Very high | 93.7 | Very high | 46 Ų | 46 | 48 Ų | 48 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.6 | -36.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q340 F341 L342 | Q340-A344 PolarHBondContact O-N 2.97Å; F341-A344 PolarHBondContact O-N 2.9Å; L342-A344 VanDerWaalsContact C-N 3.32Å; L342-A344 PolarHBondContact O-N 2.98Å |
| 345 | L | 97.6 | Very high | 95.5 | Very high | 20 Ų | 20 | 44.7 Ų | 44.7 | 11% | 0.105 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.3 | -37 | 173.5 | -66.7 | 180 | 0 | 0 | 0 | 112.2 | F341 L342 V343 D347 N351 F354 I355 V372 L375 | F341-L345 HydrophobicContact CD1-CD1 4.18Å; F341-L345 HydrophobicContact CE1-CD1 3.46Å; F341-L345 VanDerWaalsContact CE1-CD1 3.46Å; F341-L345 HydrophobicContact CE1-CG 4.17Å; F341-L345 HydrophobicContact CE2-CD1 4.3Å; F341-L345 HydrophobicContact CE2-CD2 4.27Å; F341-L345 HydrophobicContact CE2-CG 4.23Å; F341-L345 HydrophobicContact CZ-CD1 3.54Å; F341-L345 HydrophobicContact CZ-CD2 4.17Å; F341-L345 HydrophobicContact CZ-CG 3.96Å; F341-L345 WeakPolarHBondContact O-CG 3.48Å; F341-L345 PolarHBondContact O-N 3.25Å; L342-L345 PolarHBondContact O-N 2.86Å; V343-L345 VanDerWaalsContact C-N 3.32Å; V343-L345 PolarHBondContact O-N 3.12Å; L345-D347 VanDerWaalsContact C-N 3.33Å; L345-N351 WeakPolarHBondContact O-CB 3.24Å; L345-N351 PolarHBondContact O-ND2 2.84Å; L345-F354 HydrophobicContact CD1-CE2 4.19Å; L345-F354 HydrophobicContact CD2-CE2 4.24Å; L345-I355 HydrophobicContact CB-CD1 4.39Å; L345-I355 HydrophobicContact CB-CG2 3.69Å; L345-I355 HydrophobicContact CD1-CG2 4.29Å; L345-V372 HydrophobicContact CD1-CG1 4.17Å; L345-L375 HydrophobicContact CD1-CD1 4.47Å; L345-L375 HydrophobicContact CD2-CD1 4.3Å |
| 346 | L | 97.4 | Very high | 96.2 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.042 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -74.3 | -20.7 | -179 | -79.4 | 166.2 | 0 | 0 | 0 | 114 | L342 V343 D348 I355 W357 F364 F415 | L342-L346 VanDerWaalsContact O-CB 3.32Å; L342-L346 WeakPolarHBondContact O-CB 3.32Å; L342-L346 WeakPolarHBondContact O-CD1 3.35Å; L342-L346 VanDerWaalsContact O-CG 3.24Å; L342-L346 WeakPolarHBondContact O-CG 3.25Å; L342-L346 PolarHBondContact O-N 3.07Å; V343-L346 CarbonylContact O-C 3.53Å; V343-L346 PolarHBondContact O-N 2.71Å; V343-L346 VanDerWaalsContact O-N 3.12Å; L346-D348 VanDerWaalsContact C-N 3.35Å; L346-I355 HydrophobicContact CD1-CD1 4.24Å; L346-I355 HydrophobicContact CD2-CD1 4.2Å; L346-I355 HydrophobicContact CD2-CG1 3.75Å; L346-I355 HydrophobicContact CG-CD1 3.85Å; L346-I355 HydrophobicContact CG-CG1 3.98Å; L346-W357 HydrophobicContact CB-CD2 4.43Å; L346-W357 HydrophobicContact CB-CZ2 3.68Å; L346-W357 HydrophobicContact CD1-CD2 4.45Å; L346-W357 HydrophobicContact CD1-CE3 4.46Å; L346-W357 HydrophobicContact CD1-CH2 3.76Å; L346-W357 HydrophobicContact CD1-CZ2 3.76Å; L346-W357 HydrophobicContact CD1-CZ3 4.12Å; L346-W357 HydrophobicContact CD2-CD2 4.05Å; L346-W357 HydrophobicContact CD2-CG 4.17Å; L346-W357 HydrophobicContact CG-CZ2 4.21Å; L346-W357 PolarHBondContact O-NE1 2.8Å; L346-F364 HydrophobicContact CD1-CB 3.7Å; L346-F364 HydrophobicContact CD1-CD1 4.04Å; L346-F364 HydrophobicContact CD1-CD2 3.98Å; L346-F364 HydrophobicContact CD1-CG 3.65Å; L346-F364 HydrophobicContact CD2-CB 3.71Å; L346-F364 HydrophobicContact CD2-CG 4.43Å; L346-F364 HydrophobicContact CG-CB 4.37Å; L346-F415 HydrophobicContact CD1-CE2 4.26Å |
| 347 | D | 96.6 | Very high | 96.5 | Very high | 132 Ų | 132 | 46.2 Ų | 46.2 | 71% | 0.706 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -69.7 | -33.7 | 177.4 | -166.1 | 49.6 | 0 | 0 | 0 | 111.9 | V343 L345 P349 | V343-D347 PolarHBondContact O-N 2.6Å; L345-D347 VanDerWaalsContact C-N 3.33Å; D347-P349 WeakPolarHBondContact O-CD 3.49Å |
| 348 | D | 94.7 | Very high | 96.6 | Very high | 85 Ų | 85 | 46.5 Ų | 46.5 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | trans | -92.2 | 110.9 | 176.6 | -179.1 | 2.5 | 0 | 0 | 0 | 111.1 | L346 G350 N351 | L346-D348 VanDerWaalsContact C-N 3.35Å; D348-G350 PolarHBondContact O-N 2.82Å; D348-G350 VanDerWaalsContact O-N 3.13Å; D348-G350 WeakPolarHBondContact OD1-CA 3.49Å; D348-G350 PolarHBondContact OD1-N 2.9Å; D348-N351 WeakPolarHBondContact O-CB 3.41Å; D348-N351 PolarHBondContact O-N 3.48Å | ||
| 349 | P | 93.8 | Very high | 96.5 | Very high | 103 Ų | 103 | 49.7 Ų | 49.7 | 67% | 0.669 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -64.9 | -15.8 | 178.2 | 28.7 | -35.5 | 0 | 0 | 0 | 113.2 | D347 N351 S352 | D347-P349 WeakPolarHBondContact O-CD 3.49Å; P349-N351 PolarHBondContact O-N 2.88Å; P349-S352 WeakPolarHBondContact O-CB 3.34Å; P349-S352 PolarHBondContact O-N 3.31Å; P349-S352 VanDerWaalsContact O-N 3.13Å; P349-S352 PolarHBondContact O-OG 3.24Å |
| 350 | G | 95.9 | Very high | 96.5 | Very high | 43 Ų | 43 | 55 Ų | 55 | 44% | 0.443 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -59.1 | -25.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D348 S352 H353 | D348-G350 PolarHBondContact O-N 2.82Å; D348-G350 VanDerWaalsContact O-N 3.13Å; D348-G350 WeakPolarHBondContact OD1-CA 3.49Å; D348-G350 PolarHBondContact OD1-N 2.9Å; G350-S352 VanDerWaalsContact C-N 3.26Å; G350-S352 PolarHBondContact O-N 2.96Å; G350-H353 PolarHBondContact O-CE1 2.91Å; G350-H353 PolarHBondContact O-ND1 2.96Å |
| 351 | N | 96.8 | Very high | 96.5 | Very high | 29 Ų | 29 | 55.4 Ų | 55.4 | 16% | 0.155 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -82.5 | 0.3 | 178.9 | -62.4 | -31.1 | 0 | 0 | 0 | 114 | L345 D348 P349 H353 F354 I355 | L345-N351 WeakPolarHBondContact O-CB 3.24Å; L345-N351 PolarHBondContact O-ND2 2.84Å; D348-N351 WeakPolarHBondContact O-CB 3.41Å; D348-N351 PolarHBondContact O-N 3.48Å; P349-N351 PolarHBondContact O-N 2.88Å; N351-H353 PolarHBondContact O-N 3.43Å; N351-F354 HydrophobicContact CB-CD2 4.47Å; N351-F354 HydrophobicContact CB-CE1 4.02Å; N351-F354 HydrophobicContact CB-CE2 3.66Å; N351-F354 HydrophobicContact CB-CZ 3.39Å; N351-F354 PolarHBondContact O-N 3.36Å; N351-F354 WeakPolarHBondContact OD1-CZ 3.26Å; N351-I355 CarbonylContact C-O 3.54Å; N351-I355 HydrophobicContact CB-CG2 4.12Å; N351-I355 PolarHBondContact O-N 3.11Å |
| 352 | S | 96.8 | Very high | 96.4 | Very high | 65 Ų | 65 | 58.8 Ų | 58.8 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -57.5 | -12.9 | -176.2 | 55.2 | 0 | 0 | 0 | 0 | 115.6 | P349 G350 I355 I367 | P349-S352 WeakPolarHBondContact O-CB 3.34Å; P349-S352 PolarHBondContact O-N 3.31Å; P349-S352 VanDerWaalsContact O-N 3.13Å; P349-S352 PolarHBondContact O-OG 3.24Å; G350-S352 VanDerWaalsContact C-N 3.26Å; G350-S352 PolarHBondContact O-N 2.96Å; S352-I355 WeakPolarHBondContact CA-O 3.37Å; S352-I367 WeakPolarHBondContact O-CD1 3.42Å |
| 353 | H | 97.4 | Very high | 96.4 | Very high | 112 Ų | 112 | 59.5 Ų | 59.5 | 52% | 0.519 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -77.4 | -27.4 | 175.3 | 56.2 | -73.5 | 0 | 0 | 0 | 113 | G350 N351 I367 | G350-H353 PolarHBondContact O-CE1 2.91Å; G350-H353 PolarHBondContact O-ND1 2.96Å; N351-H353 PolarHBondContact O-N 3.43Å; H353-I367 VanDerWaalsContact O-CG2 3.27Å; H353-I367 WeakPolarHBondContact O-CG2 3.15Å |
| 354 | F | 98.1 | Very high | 96.4 | Very high | 10 Ų | 10 | 57 Ų | 57 | 4% | 0.044 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -23.9 | 177.4 | 56.4 | -102.7 | 0 | 0 | 0 | 114.1 | L345 N351 I367 E368 E371 V372 L375 | L345-F354 HydrophobicContact CD1-CE2 4.19Å; L345-F354 HydrophobicContact CD2-CE2 4.24Å; N351-F354 HydrophobicContact CB-CD2 4.47Å; N351-F354 HydrophobicContact CB-CE1 4.02Å; N351-F354 HydrophobicContact CB-CE2 3.66Å; N351-F354 HydrophobicContact CB-CZ 3.39Å; N351-F354 PolarHBondContact O-N 3.36Å; N351-F354 WeakPolarHBondContact OD1-CZ 3.26Å; F354-I367 PolarHBondContact O-N 3.32Å; F354-E368 HydrophobicContact CB-CB 3.8Å; F354-E368 HydrophobicContact CB-CG 4.42Å; F354-E368 PolarHBondContact O-N 3.22Å; F354-E371 HydrophobicContact CB-CB 4.11Å; F354-E371 HydrophobicContact CB-CG 4.06Å; F354-E371 HydrophobicContact CD1-CG 4.13Å; F354-E371 HydrophobicContact CG-CG 4.07Å; F354-V372 HydrophobicContact CD2-CG2 3.9Å; F354-L375 HydrophobicContact CD2-CD1 4.24Å; F354-L375 HydrophobicContact CE1-CD1 4.33Å; F354-L375 HydrophobicContact CE2-CD1 3.6Å; F354-L375 HydrophobicContact CZ-CD1 3.65Å |
| 355 | I | 98.4 | Very high | 96.5 | Very high | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 132.5 | 175.3 | -169.6 | 176.3 | 0 | 0 | 0 | 110.5 | L342 L345 L346 N351 S352 F364 K365 L366 V372 | L342-I355 HydrophobicContact CB-CD1 4.5Å; L342-I355 HydrophobicContact CD2-CD1 3.8Å; L345-I355 HydrophobicContact CB-CD1 4.39Å; L345-I355 HydrophobicContact CB-CG2 3.69Å; L345-I355 HydrophobicContact CD1-CG2 4.29Å; L346-I355 HydrophobicContact CD1-CD1 4.24Å; L346-I355 HydrophobicContact CD2-CD1 4.2Å; L346-I355 HydrophobicContact CD2-CG1 3.75Å; L346-I355 HydrophobicContact CG-CD1 3.85Å; L346-I355 HydrophobicContact CG-CG1 3.98Å; N351-I355 CarbonylContact C-O 3.54Å; N351-I355 HydrophobicContact CB-CG2 4.12Å; N351-I355 PolarHBondContact O-N 3.11Å; S352-I355 WeakPolarHBondContact CA-O 3.37Å; I355-F364 HydrophobicContact CD1-CD2 4.34Å; I355-F364 HydrophobicContact CG1-CD2 4.4Å; I355-K365 WeakPolarHBondContact CA-O 3.24Å; I355-L366 HydrophobicContact CD1-CD2 3.81Å; I355-L366 HydrophobicContact CG1-CD2 4.1Å; I355-V372 HydrophobicContact CB-CG2 3.95Å; I355-V372 HydrophobicContact CD1-CG2 4.44Å |
| 356 | A | 98.2 | Very high | 96.6 | Very high | 20 Ų | 20 | 57.5 Ų | 57.5 | 17% | 0.165 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 150.8 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | F364 K365 I367 | A356-F364 CarbonylContact O-C 3.57Å; A356-F364 VanDerWaalsContact O-CA 3.24Å; A356-F364 WeakPolarHBondContact O-CA 3.29Å; A356-F364 WeakPolarHBondContact O-CB 3.15Å; A356-K365 PolarHBondContact N-O 3.34Å; A356-K365 VanDerWaalsContact N-O 3.07Å; A356-K365 PolarHBondContact O-N 3.2Å; A356-I367 HydrophobicContact CB-CD1 3.81Å |
| 357 | W | 97.9 | Very high | 96.6 | Very high | 91 Ų | 91 | 60.9 Ų | 60.9 | 35% | 0.345 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 138.3 | 160.9 | -63.8 | 112.4 | 0 | 0 | 0 | 109.7 | L346 G359 M362 F364 F415 | L346-W357 HydrophobicContact CB-CD2 4.43Å; L346-W357 HydrophobicContact CB-CZ2 3.68Å; L346-W357 HydrophobicContact CD1-CD2 4.45Å; L346-W357 HydrophobicContact CD1-CE3 4.46Å; L346-W357 HydrophobicContact CD1-CH2 3.76Å; L346-W357 HydrophobicContact CD1-CZ2 3.76Å; L346-W357 HydrophobicContact CD1-CZ3 4.12Å; L346-W357 HydrophobicContact CD2-CD2 4.05Å; L346-W357 HydrophobicContact CD2-CG 4.17Å; L346-W357 HydrophobicContact CG-CZ2 4.21Å; L346-W357 PolarHBondContact O-NE1 2.8Å; W357-G359 PolarHBondContact O-N 3.28Å; W357-M362 HydrophobicContact CH2-CE 3.81Å; W357-M362 HydrophobicContact CZ2-CE 4.5Å; W357-M362 HydrophobicContact CZ3-CB 4.44Å; W357-M362 HydrophobicContact CZ3-CE 4.36Å; W357-M362 WeakPolarHBondContact CZ3-O 3.32Å; W357-F364 HydrophobicContact CE3-CB 3.83Å; W357-F364 HydrophobicContact CZ3-CB 4.01Å; W357-F364 HydrophobicContact CZ3-CD1 4.19Å; W357-F415 AromaticContact CH2-CD2 3.86Å; W357-F415 HydrophobicContact CH2-CD2 3.86Å; W357-F415 AromaticContact CH2-CE2 3.95Å; W357-F415 HydrophobicContact CH2-CE2 3.95Å; W357-F415 HydrophobicContact CZ3-CD2 4.08Å; W357-F415 HydrophobicContact CZ3-CE2 4.4Å |
| 358 | T | 96.4 | Very high | 96.7 | Very high | 53 Ų | 53 | 59.5 Ų | 59.5 | 33% | 0.325 | 34% | 0.342 | S | S | . | . | trans | -82.1 | -6.4 | 176.7 | 67.3 | 0 | 0 | 0 | 0 | 112.6 | R360 E363 K365 V412 | T358-R360 PolarHBondContact O-N 3.2Å; T358-R360 PolarHBondContact OG1-N 2.9Å; T358-E363 VanDerWaalsContact CB-OE1 3.26Å; T358-E363 WeakPolarHBondContact CB-OE1 2.91Å; T358-E363 HydrophobicContact CG2-CG 4.07Å; T358-E363 VanDerWaalsContact CG2-OE1 3.29Å; T358-E363 WeakPolarHBondContact CG2-OE1 3.2Å; T358-E363 PolarHBondContact N-O 3.2Å; T358-E363 WeakPolarHBondContact OG1-CB 3.42Å; T358-E363 PolarHBondContact OG1-O 3.06Å; T358-E363 PolarHBondContact OG1-OE1 2.86Å; T358-K365 HydrophobicContact CG2-CB 4.09Å; T358-V412 HydrophobicContact CG2-CG1 4.47Å | ||
| 359 | G | 94.3 | Very high | 96.9 | Very high | 70 Ų | 70 | 56.2 Ų | 56.2 | 72% | 0.722 | 33% | 0.326 | S | S | * | . | S | Bend | trans | 80.6 | -1.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | W357 G361 | W357-G359 PolarHBondContact O-N 3.28Å; G359-G361 PolarHBondContact O-N 3.3Å |
| 360 | R | 94.6 | Very high | 97.1 | Very high | 145 Ų | 145 | 56.6 Ų | 56.6 | 55% | 0.547 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -96 | 71 | 178.9 | -61.8 | -170.6 | -67.1 | -163.3 | -1.5 | 111.3 | T358 M362 E363 | T358-R360 PolarHBondContact O-N 3.2Å; T358-R360 PolarHBondContact OG1-N 2.9Å; R360-M362 PolarHBondContact O-N 3.37Å; R360-E363 HydrophobicContact CB-CB 4.24Å; R360-E363 IonicContact CZ-OE1 3.67Å; R360-E363 IonicContact CZ-OE2 3.16Å; R360-E363 IonicContact NE-OE1 3.03Å; R360-E363 PolarHBondContact NE-OE1 3.39Å; R360-E363 IonicContact NE-OE2 2.8Å; R360-E363 IonicContact NH2-OE1 3.98Å; R360-E363 PolarHBondContact NH2-OE1 2.96Å; R360-E363 IonicContact NH2-OE2 2.71Å; R360-E363 PolarHBondContact NH2-OE2 3.2Å; R360-E363 VanDerWaalsContact O-CB 3.25Å; R360-E363 WeakPolarHBondContact O-CB 3.24Å; R360-E363 PolarHBondContact O-N 3.14Å |
| 361 | G | 93.6 | Very high | 97.2 | Very high | 60 Ų | 60 | 57 Ų | 57 | 62% | 0.619 | 31% | 0.309 | S | S | * | . | S | Bend | trans | 62.7 | -131.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111 | G359 E363 | G359-G361 PolarHBondContact O-N 3.3Å; G361-E363 PolarHBondContact O-N 3.15Å |
| 362 | M | 95.1 | Very high | 97.3 | Very high | 88 Ų | 88 | 55.6 Ų | 55.6 | 43% | 0.433 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -85 | 29.3 | 178.6 | -61.1 | -62.6 | -69.6 | 0 | 0 | 113.8 | W357 R360 K414 F415 | W357-M362 HydrophobicContact CH2-CE 3.81Å; W357-M362 HydrophobicContact CZ2-CE 4.5Å; W357-M362 HydrophobicContact CZ3-CB 4.44Å; W357-M362 HydrophobicContact CZ3-CE 4.36Å; W357-M362 WeakPolarHBondContact CZ3-O 3.32Å; R360-M362 PolarHBondContact O-N 3.37Å; M362-K414 CarbonylContact O-C 3.59Å; M362-K414 WeakPolarHBondContact O-CA 3.21Å; M362-F415 HydrophobicContact CB-CB 3.97Å; M362-F415 HydrophobicContact CE-CB 4.31Å; M362-F415 HydrophobicContact CE-CD2 4.5Å; M362-F415 PolarHBondContact O-N 2.68Å |
| 363 | E | 97.4 | Very high | 97.4 | Very high | 14 Ų | 14 | 52.5 Ų | 52.5 | 7% | 0.065 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 131.3 | 178.1 | -174.3 | -169.2 | 90.4 | 0 | 0 | 111.1 | T358 R360 G361 V406 V412 Y413 K414 | T358-E363 VanDerWaalsContact CB-OE1 3.26Å; T358-E363 WeakPolarHBondContact CB-OE1 2.91Å; T358-E363 HydrophobicContact CG2-CG 4.07Å; T358-E363 VanDerWaalsContact CG2-OE1 3.29Å; T358-E363 WeakPolarHBondContact CG2-OE1 3.2Å; T358-E363 PolarHBondContact N-O 3.2Å; T358-E363 WeakPolarHBondContact OG1-CB 3.42Å; T358-E363 PolarHBondContact OG1-O 3.06Å; T358-E363 PolarHBondContact OG1-OE1 2.86Å; R360-E363 HydrophobicContact CB-CB 4.24Å; R360-E363 IonicContact CZ-OE1 3.67Å; R360-E363 IonicContact CZ-OE2 3.16Å; R360-E363 IonicContact NE-OE1 3.03Å; R360-E363 PolarHBondContact NE-OE1 3.39Å; R360-E363 IonicContact NE-OE2 2.8Å; R360-E363 IonicContact NH2-OE1 3.98Å; R360-E363 PolarHBondContact NH2-OE1 2.96Å; R360-E363 IonicContact NH2-OE2 2.71Å; R360-E363 PolarHBondContact NH2-OE2 3.2Å; R360-E363 VanDerWaalsContact O-CB 3.25Å; R360-E363 WeakPolarHBondContact O-CB 3.24Å; R360-E363 PolarHBondContact O-N 3.14Å; G361-E363 PolarHBondContact O-N 3.15Å; E363-V406 HydrophobicContact CG-CG2 4.11Å; E363-V412 HydrophobicContact CG-CG1 3.59Å; E363-Y413 CarbonylContact C-O 3.58Å; E363-Y413 WeakPolarHBondContact CA-O 3.44Å; E363-Y413 WeakPolarHBondContact CG-O 3.18Å; E363-K414 HydrophobicContact CB-CB 4.23Å; E363-K414 HydrophobicContact CB-CG 4.18Å; E363-K414 HydrophobicContact CG-CB 4.41Å |
| 364 | F | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 159.2 | 178.2 | 70.5 | -85.8 | 0 | 0 | 0 | 112 | L342 L346 I355 A356 W357 L366 M403 V412 Y413 F415 | L342-F364 HydrophobicContact CD1-CE2 4.39Å; L342-F364 HydrophobicContact CD1-CZ 4.2Å; L346-F364 HydrophobicContact CD1-CB 3.7Å; L346-F364 HydrophobicContact CD1-CD1 4.04Å; L346-F364 HydrophobicContact CD1-CD2 3.98Å; L346-F364 HydrophobicContact CD1-CG 3.65Å; L346-F364 HydrophobicContact CD2-CB 3.71Å; L346-F364 HydrophobicContact CD2-CG 4.43Å; L346-F364 HydrophobicContact CG-CB 4.37Å; I355-F364 HydrophobicContact CD1-CD2 4.34Å; I355-F364 HydrophobicContact CG1-CD2 4.4Å; A356-F364 CarbonylContact O-C 3.57Å; A356-F364 VanDerWaalsContact O-CA 3.24Å; A356-F364 WeakPolarHBondContact O-CA 3.29Å; A356-F364 WeakPolarHBondContact O-CB 3.15Å; W357-F364 HydrophobicContact CE3-CB 3.83Å; W357-F364 HydrophobicContact CZ3-CB 4.01Å; W357-F364 HydrophobicContact CZ3-CD1 4.19Å; F364-L366 HydrophobicContact CE2-CD2 4.37Å; F364-L366 HydrophobicContact CE2-CG 4.38Å; F364-M403 HydrophobicContact CE1-CE 4.38Å; F364-M403 HydrophobicContact CE1-SD 4.46Å; F364-M403 HydrophobicContact CZ-CE 4.26Å; F364-M403 HydrophobicContact CZ-SD 4.3Å; F364-V412 WeakPolarHBondContact O-CA 3.29Å; F364-V412 WeakPolarHBondContact O-CG1 3.26Å; F364-Y413 WeakPolarHBondContact CD1-O 3.47Å; F364-Y413 HydrophobicContact CE2-CD2 4.27Å; F364-Y413 HydrophobicContact CZ-CD2 4.39Å; F364-Y413 HydrophobicContact CZ-CG 4.26Å; F364-Y413 PolarHBondContact N-O 2.95Å; F364-Y413 PolarHBondContact O-N 3.37Å; F364-Y413 VanDerWaalsContact O-O 3.04Å; F364-F415 AromaticContact CD1-CD2 3.82Å; F364-F415 HydrophobicContact CD1-CD2 3.82Å; F364-F415 AromaticContact CD1-CE2 3.66Å; F364-F415 HydrophobicContact CD1-CE2 3.66Å; F364-F415 AromaticContact CE1-CD2 3.69Å; F364-F415 HydrophobicContact CE1-CD2 3.69Å; F364-F415 AromaticContact CE1-CE2 3.38Å; F364-F415 HydrophobicContact CE1-CE2 3.38Å; F364-F415 HydrophobicContact CE1-CZ 4.13Å; F364-F415 HydrophobicContact CZ-CE2 4.24Å |
| 365 | K | 98.3 | Very high | 97.4 | Very high | 77 Ų | 77 | 53.7 Ų | 53.7 | 34% | 0.335 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.5 | 177.4 | -174.3 | 166 | -172.3 | 164.5 | 0 | 110.2 | I355 A356 T358 I367 E409 V412 | I355-K365 WeakPolarHBondContact CA-O 3.24Å; A356-K365 PolarHBondContact N-O 3.34Å; A356-K365 VanDerWaalsContact N-O 3.07Å; A356-K365 PolarHBondContact O-N 3.2Å; T358-K365 HydrophobicContact CG2-CB 4.09Å; K365-I367 HydrophobicContact CG-CG1 4.28Å; K365-I367 PolarHBondContact O-N 2.87Å; K365-E409 IonicContact NZ-OE2 3.64Å; K365-V412 HydrophobicContact CB-CG2 4Å; K365-V412 HydrophobicContact CD-CG2 3.72Å; K365-V412 HydrophobicContact CG-CG2 3.72Å |
| 366 | L | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 102.5 | 164.1 | -51.6 | 156.9 | 0 | 0 | 0 | 106.6 | L342 I355 F364 P369 V372 Y387 L394 Y411 Y413 | L342-L366 HydrophobicContact CD2-CD2 4.2Å; I355-L366 HydrophobicContact CD1-CD2 3.81Å; I355-L366 HydrophobicContact CG1-CD2 4.1Å; F364-L366 HydrophobicContact CE2-CD2 4.37Å; F364-L366 HydrophobicContact CE2-CG 4.38Å; L366-P369 HydrophobicContact CB-CB 4.26Å; L366-V372 HydrophobicContact CD2-CB 4Å; L366-V372 HydrophobicContact CD2-CG1 3.74Å; L366-V372 HydrophobicContact CD2-CG2 3.77Å; L366-Y387 HydrophobicContact CD1-CE2 3.88Å; L366-L394 HydrophobicContact CD1-CD1 3.82Å; L366-Y411 PolarHBondContact N-O 3.49Å; L366-Y411 VanDerWaalsContact O-CB 3.32Å; L366-Y411 WeakPolarHBondContact O-CB 3.43Å; L366-Y413 HydrophobicContact CD1-CD2 4.24Å; L366-Y413 HydrophobicContact CD1-CE2 3.81Å |
| 367 | I | 98.2 | Very high | 97.3 | Very high | 79 Ų | 79 | 53.7 Ų | 53.7 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -75.4 | -46.2 | -177.9 | -63.6 | 159.9 | 0 | 0 | 0 | 108.9 | S352 H353 F354 A356 K365 P369 | S352-I367 WeakPolarHBondContact O-CD1 3.42Å; H353-I367 VanDerWaalsContact O-CG2 3.27Å; H353-I367 WeakPolarHBondContact O-CG2 3.15Å; F354-I367 PolarHBondContact O-N 3.32Å; A356-I367 HydrophobicContact CB-CD1 3.81Å; K365-I367 HydrophobicContact CG-CG1 4.28Å; K365-I367 PolarHBondContact O-N 2.87Å; I367-P369 WeakPolarHBondContact O-CD 3.5Å |
| 368 | E | 98.4 | Very high | 97.2 | Very high | 102 Ų | 102 | 55 Ų | 55 | 48% | 0.477 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -116.4 | 85.7 | 171.3 | -64.3 | -172.6 | 166.5 | 0 | 0 | 109.4 | F354 E370 E371 V372 | F354-E368 HydrophobicContact CB-CB 3.8Å; F354-E368 HydrophobicContact CB-CG 4.42Å; F354-E368 PolarHBondContact O-N 3.22Å; E368-E370 PolarHBondContact O-N 3.33Å; E368-E371 HydrophobicContact CB-CB 4.01Å; E368-E371 PolarHBondContact O-N 2.88Å; E368-E371 VanDerWaalsContact O-N 3.14Å; E368-V372 PolarHBondContact O-N 3.17Å |
| 369 | P | 98.2 | Very high | 97.2 | Very high | 17 Ų | 17 | 54.6 Ų | 54.6 | 11% | 0.11 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61 | -31 | -174.5 | 18.8 | -29.8 | 0 | 0 | 0 | 113.8 | L366 I367 A373 Y387 Y411 | L366-P369 HydrophobicContact CB-CB 4.26Å; I367-P369 WeakPolarHBondContact O-CD 3.5Å; P369-A373 WeakPolarHBondContact O-CB 3.45Å; P369-A373 PolarHBondContact O-N 2.91Å; P369-A373 VanDerWaalsContact O-N 3.11Å; P369-Y387 HydrophobicContact CB-CD1 4.46Å; P369-Y387 HydrophobicContact CB-CD2 3.36Å; P369-Y387 HydrophobicContact CB-CE2 3.78Å; P369-Y387 HydrophobicContact CB-CG 3.73Å; P369-Y411 HydrophobicContact CB-CD1 4.22Å; P369-Y411 HydrophobicContact CB-CE1 4.34Å; P369-Y411 HydrophobicContact CG-CD1 4.15Å; P369-Y411 HydrophobicContact CG-CD2 4.24Å; P369-Y411 HydrophobicContact CG-CE1 4.04Å; P369-Y411 HydrophobicContact CG-CE2 4.14Å; P369-Y411 HydrophobicContact CG-CG 4.25Å |
| 370 | E | 98.3 | Very high | 97.2 | Very high | 110 Ų | 110 | 54.1 Ų | 54.1 | 51% | 0.514 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -71.2 | -35.7 | 177 | -64.7 | -57.7 | 160.6 | 0 | 0 | 112.4 | E368 A373 R374 Y387 | E368-E370 PolarHBondContact O-N 3.33Å; E370-A373 PolarHBondContact O-N 3.19Å; E370-R374 WeakPolarHBondContact O-CB 3.49Å; E370-R374 PolarHBondContact O-N 3.35Å; E370-Y387 WeakPolarHBondContact OE1-CB 3.35Å; E370-Y387 PolarHBondContact OE2-N 3.45Å |
| 371 | E | 98.4 | Very high | 97.2 | Very high | 51 Ų | 51 | 54.1 Ų | 54.1 | 24% | 0.238 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.5 | -41.2 | 177.6 | -178.4 | 56 | -162.5 | 0 | 0 | 110.9 | F354 E368 A373 R374 L375 | F354-E371 HydrophobicContact CB-CB 4.11Å; F354-E371 HydrophobicContact CB-CG 4.06Å; F354-E371 HydrophobicContact CD1-CG 4.13Å; F354-E371 HydrophobicContact CG-CG 4.07Å; E368-E371 HydrophobicContact CB-CB 4.01Å; E368-E371 PolarHBondContact O-N 2.88Å; E368-E371 VanDerWaalsContact O-N 3.14Å; E371-A373 VanDerWaalsContact C-N 3.27Å; E371-A373 PolarHBondContact O-N 2.95Å; E371-R374 WeakPolarHBondContact O-CB 3.42Å; E371-R374 PolarHBondContact O-N 3.38Å; E371-R374 IonicContact OE1-CZ 3.74Å; E371-R374 IonicContact OE1-NE 2.81Å; E371-R374 PolarHBondContact OE1-NE 3.5Å; E371-R374 IonicContact OE1-NH2 3.48Å; E371-R374 PolarHBondContact OE1-NH2 3.13Å; E371-R374 IonicContact OE2-CZ 3.8Å; E371-R374 IonicContact OE2-NE 2.68Å; E371-R374 PolarHBondContact OE2-NE 2.85Å; E371-R374 IonicContact OE2-NH2 3.82Å; E371-L375 HydrophobicContact CG-CD1 4.38Å; E371-L375 WeakPolarHBondContact O-CG 3.44Å; E371-L375 PolarHBondContact O-N 2.7Å |
| 372 | V | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 172.7 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | L342 L345 F354 I355 L366 E368 L375 W376 L390 | L342-V372 HydrophobicContact CD2-CG1 3.62Å; L345-V372 HydrophobicContact CD1-CG1 4.17Å; F354-V372 HydrophobicContact CD2-CG2 3.9Å; I355-V372 HydrophobicContact CB-CG2 3.95Å; I355-V372 HydrophobicContact CD1-CG2 4.44Å; L366-V372 HydrophobicContact CD2-CB 4Å; L366-V372 HydrophobicContact CD2-CG1 3.74Å; L366-V372 HydrophobicContact CD2-CG2 3.77Å; E368-V372 PolarHBondContact O-N 3.17Å; V372-L375 PolarHBondContact O-N 3.03Å; V372-W376 WeakPolarHBondContact O-CB 3.47Å; V372-W376 PolarHBondContact O-N 2.9Å; V372-L390 HydrophobicContact CG1-CD1 4.18Å |
| 373 | A | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.6 | -38.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | P369 E370 E371 W376 G377 M385 L390 | P369-A373 WeakPolarHBondContact O-CB 3.45Å; P369-A373 PolarHBondContact O-N 2.91Å; P369-A373 VanDerWaalsContact O-N 3.11Å; E370-A373 PolarHBondContact O-N 3.19Å; E371-A373 VanDerWaalsContact C-N 3.27Å; E371-A373 PolarHBondContact O-N 2.95Å; A373-W376 PolarHBondContact O-N 3.42Å; A373-G377 PolarHBondContact O-N 3.28Å; A373-M385 HydrophobicContact CB-CG 4.49Å; A373-M385 WeakPolarHBondContact O-CG 3.32Å; A373-L390 HydrophobicContact CB-CB 4.3Å; A373-L390 HydrophobicContact CB-CD1 4.01Å |
| 374 | R | 98.3 | Very high | 97.3 | Very high | 123 Ų | 123 | 63.2 Ų | 63.2 | 46% | 0.464 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 174.6 | -168.8 | -164.4 | 70.2 | 77.1 | -0.1 | 111.1 | E370 E371 W376 G377 M378 | E370-R374 WeakPolarHBondContact O-CB 3.49Å; E370-R374 PolarHBondContact O-N 3.35Å; E371-R374 WeakPolarHBondContact O-CB 3.42Å; E371-R374 PolarHBondContact O-N 3.38Å; E371-R374 IonicContact OE1-CZ 3.74Å; E371-R374 IonicContact OE1-NE 2.81Å; E371-R374 PolarHBondContact OE1-NE 3.5Å; E371-R374 IonicContact OE1-NH2 3.48Å; E371-R374 PolarHBondContact OE1-NH2 3.13Å; E371-R374 IonicContact OE2-CZ 3.8Å; E371-R374 IonicContact OE2-NE 2.68Å; E371-R374 PolarHBondContact OE2-NE 2.85Å; E371-R374 IonicContact OE2-NH2 3.82Å; R374-W376 VanDerWaalsContact C-N 3.32Å; R374-W376 PolarHBondContact O-N 3.11Å; R374-G377 WeakPolarHBondContact O-CA 3.39Å; R374-G377 PolarHBondContact O-N 3.25Å; R374-M378 PolarHBondContact O-N 3.32Å |
| 375 | L | 98.1 | Very high | 97.3 | Very high | 23 Ų | 23 | 64.4 Ų | 64.4 | 12% | 0.12 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 177.1 | -67.4 | 172.7 | 0 | 0 | 0 | 111.5 | F341 L345 F354 E371 V372 M378 Q379 | F341-L375 HydrophobicContact CZ-CB 3.75Å; L345-L375 HydrophobicContact CD1-CD1 4.47Å; L345-L375 HydrophobicContact CD2-CD1 4.3Å; F354-L375 HydrophobicContact CD2-CD1 4.24Å; F354-L375 HydrophobicContact CE1-CD1 4.33Å; F354-L375 HydrophobicContact CE2-CD1 3.6Å; F354-L375 HydrophobicContact CZ-CD1 3.65Å; E371-L375 HydrophobicContact CG-CD1 4.38Å; E371-L375 WeakPolarHBondContact O-CG 3.44Å; E371-L375 PolarHBondContact O-N 2.7Å; V372-L375 PolarHBondContact O-N 3.03Å; L375-M378 HydrophobicContact CD2-CE 3.63Å; L375-M378 PolarHBondContact O-N 3.31Å; L375-Q379 WeakPolarHBondContact O-CB 3.32Å; L375-Q379 PolarHBondContact O-N 3.39Å |
| 376 | W | 97.8 | Very high | 97.3 | Very high | 21 Ų | 21 | 63.5 Ų | 63.5 | 8% | 0.08 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 173.2 | 178.2 | -126.7 | 0 | 0 | 0 | 112.4 | L336 L338 F341 V372 A373 R374 Q379 K380 L390 | L336-W376 HydrophobicContact CD2-CZ3 4.3Å; L336-W376 WeakPolarHBondContact O-CH2 3.23Å; L338-W376 HydrophobicContact CB-CH2 4.27Å; L338-W376 HydrophobicContact CB-CZ2 3.94Å; L338-W376 HydrophobicContact CD1-CB 4.48Å; L338-W376 HydrophobicContact CD1-CD2 3.77Å; L338-W376 HydrophobicContact CD1-CE3 4.23Å; L338-W376 HydrophobicContact CD1-CG 3.87Å; L338-W376 HydrophobicContact CD1-CZ2 4.44Å; F341-W376 HydrophobicContact CB-CE3 3.77Å; F341-W376 HydrophobicContact CB-CZ3 3.56Å; F341-W376 HydrophobicContact CD1-CB 4.17Å; F341-W376 HydrophobicContact CD1-CD2 4.18Å; F341-W376 AromaticContact CD1-CE3 3.5Å; F341-W376 HydrophobicContact CD1-CE3 3.5Å; F341-W376 HydrophobicContact CD1-CG 4.49Å; F341-W376 HydrophobicContact CD1-CZ3 4.21Å; F341-W376 HydrophobicContact CD2-CE3 4.01Å; F341-W376 HydrophobicContact CD2-CZ3 4.34Å; F341-W376 HydrophobicContact CE1-CB 3.68Å; F341-W376 HydrophobicContact CE1-CE3 4.05Å; F341-W376 HydrophobicContact CE1-CG 4.45Å; F341-W376 HydrophobicContact CE2-CE3 4.5Å; F341-W376 AromaticContact CG-CE3 3.46Å; F341-W376 HydrophobicContact CG-CE3 3.46Å; F341-W376 VanDerWaalsContact CG-CE3 3.46Å; F341-W376 AromaticContact CG-CZ3 3.78Å; F341-W376 HydrophobicContact CG-CZ3 3.78Å; F341-W376 HydrophobicContact CZ-CB 4.25Å; V372-W376 WeakPolarHBondContact O-CB 3.47Å; V372-W376 PolarHBondContact O-N 2.9Å; A373-W376 PolarHBondContact O-N 3.42Å; R374-W376 VanDerWaalsContact C-N 3.32Å; R374-W376 PolarHBondContact O-N 3.11Å; W376-Q379 HydrophobicContact CE3-CB 4.12Å; W376-Q379 HydrophobicContact CE3-CG 4.23Å; W376-Q379 HydrophobicContact CZ3-CG 4.15Å; W376-Q379 WeakPolarHBondContact O-CB 3.2Å; W376-Q379 PolarHBondContact O-N 3.41Å; W376-K380 HydrophobicContact CD2-CG 3.98Å; W376-K380 HydrophobicContact CE3-CG 3.96Å; W376-K380 HydrophobicContact CH2-CD 3.54Å; W376-K380 HydrophobicContact CH2-CG 3.53Å; W376-K380 HydrophobicContact CZ2-CD 3.91Å; W376-K380 HydrophobicContact CZ2-CG 3.5Å; W376-K380 HydrophobicContact CZ3-CD 3.92Å; W376-K380 HydrophobicContact CZ3-CG 3.74Å; W376-K380 PolarHBondContact O-N 2.76Å; W376-L390 HydrophobicContact CB-CD1 3.98Å; W376-L390 HydrophobicContact CG-CD1 4.22Å |
| 377 | G | 97.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 65 Ų | 65 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.3 | -49.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A373 R374 Q379 K380 N381 R382 M385 | A373-G377 PolarHBondContact O-N 3.28Å; R374-G377 WeakPolarHBondContact O-CA 3.39Å; R374-G377 PolarHBondContact O-N 3.25Å; G377-Q379 VanDerWaalsContact C-N 3.32Å; G377-Q379 PolarHBondContact O-N 3.21Å; G377-K380 CarbonylContact O-C 3.35Å; G377-K380 PolarHBondContact O-N 2.85Å; G377-N381 CarbonylContact O-C 3.33Å; G377-N381 WeakPolarHBondContact O-CA 3.2Å; G377-N381 PolarHBondContact O-N 3.3Å; G377-R382 CarbonylContact C-O 3.6Å; G377-R382 WeakPolarHBondContact CA-O 3.5Å; G377-R382 PolarHBondContact O-N 3.01Å; G377-M385 VanDerWaalsContact CA-CB 3.43Å |
| 378 | M | 96.1 | Very high | 97.3 | Very high | 118 Ų | 118 | 65.6 Ų | 65.6 | 58% | 0.581 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -59.8 | -41.1 | 175.3 | -174.9 | 176.2 | 63.7 | 0 | 0 | 112 | R374 L375 K380 N381 | R374-M378 PolarHBondContact O-N 3.32Å; L375-M378 HydrophobicContact CD2-CE 3.63Å; L375-M378 PolarHBondContact O-N 3.31Å; M378-K380 VanDerWaalsContact C-N 3.34Å; M378-K380 PolarHBondContact O-N 3.03Å; M378-N381 PolarHBondContact O-N 3.03Å |
| 379 | Q | 95.1 | Very high | 97.2 | Very high | 44 Ų | 44 | 65.8 Ų | 65.8 | 21% | 0.206 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.7 | -37.6 | 179 | -176.5 | 59.2 | 18 | 0 | 0 | 112.8 | R333 L336 F341 L375 W376 G377 | R333-Q379 PolarHBondContact NH1-O 3.39Å; L336-Q379 HydrophobicContact CD2-CG 3.64Å; L336-Q379 VanDerWaalsContact CD2-NE2 3.3Å; F341-Q379 HydrophobicContact CD2-CB 4.22Å; F341-Q379 HydrophobicContact CD2-CG 3.95Å; F341-Q379 HydrophobicContact CE2-CB 3.99Å; F341-Q379 HydrophobicContact CE2-CG 4.19Å; L375-Q379 WeakPolarHBondContact O-CB 3.32Å; L375-Q379 PolarHBondContact O-N 3.39Å; W376-Q379 HydrophobicContact CE3-CB 4.12Å; W376-Q379 HydrophobicContact CE3-CG 4.23Å; W376-Q379 HydrophobicContact CZ3-CG 4.15Å; W376-Q379 WeakPolarHBondContact O-CB 3.2Å; W376-Q379 PolarHBondContact O-N 3.41Å; G377-Q379 VanDerWaalsContact C-N 3.32Å; G377-Q379 PolarHBondContact O-N 3.21Å |
| 380 | K | 93.9 | Very high | 97.2 | Very high | 61 Ų | 61 | 65 Ų | 65 | 27% | 0.265 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 7.9 | -179.6 | -60.9 | -65.2 | -74.1 | -168.7 | 0 | 114.2 | G334 L336 W376 G377 M378 R382 | G334-K380 PolarHBondContact O-NZ 3.4Å; L336-K380 PolarHBondContact O-NZ 3.37Å; L336-K380 VanDerWaalsContact O-NZ 3.11Å; W376-K380 HydrophobicContact CD2-CG 3.98Å; W376-K380 HydrophobicContact CE3-CG 3.96Å; W376-K380 HydrophobicContact CH2-CD 3.54Å; W376-K380 HydrophobicContact CH2-CG 3.53Å; W376-K380 HydrophobicContact CZ2-CD 3.91Å; W376-K380 HydrophobicContact CZ2-CG 3.5Å; W376-K380 HydrophobicContact CZ3-CD 3.92Å; W376-K380 HydrophobicContact CZ3-CG 3.74Å; W376-K380 PolarHBondContact O-N 2.76Å; G377-K380 CarbonylContact O-C 3.35Å; G377-K380 PolarHBondContact O-N 2.85Å; M378-K380 VanDerWaalsContact C-N 3.34Å; M378-K380 PolarHBondContact O-N 3.03Å; K380-R382 VanDerWaalsContact C-N 3.29Å; K380-R382 HydrophobicContact CB-CG 4.28Å; K380-R382 PolarHBondContact O-N 3.03Å |
| 381 | N | 94.8 | Very high | 97.2 | Very high | 144 Ų | 144 | 60.9 Ų | 60.9 | 77% | 0.77 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 45.3 | -172.6 | -163.2 | 34.2 | 0 | 0 | 0 | 113.5 | G377 M378 | G377-N381 CarbonylContact O-C 3.33Å; G377-N381 WeakPolarHBondContact O-CA 3.2Å; G377-N381 PolarHBondContact O-N 3.3Å; M378-N381 PolarHBondContact O-N 3.03Å |
| 382 | R | 96.3 | Very high | 97.2 | Very high | 156 Ų | 156 | 64.4 Ų | 64.4 | 59% | 0.589 | 32% | 0.317 | S | S | * | . | trans | -118.8 | 86.2 | 177 | -67.4 | -173.6 | 177.9 | -167.6 | -1.1 | 109 | G377 K380 A384 M385 | G377-R382 CarbonylContact C-O 3.6Å; G377-R382 WeakPolarHBondContact CA-O 3.5Å; G377-R382 PolarHBondContact O-N 3.01Å; K380-R382 VanDerWaalsContact C-N 3.29Å; K380-R382 HydrophobicContact CB-CG 4.28Å; K380-R382 PolarHBondContact O-N 3.03Å; R382-A384 PolarHBondContact O-N 3.09Å; R382-M385 HydrophobicContact CB-CB 4.48Å; R382-M385 HydrophobicContact CB-CE 4.09Å; R382-M385 VanDerWaalsContact O-CB 3.25Å; R382-M385 WeakPolarHBondContact O-CB 3.27Å; R382-M385 PolarHBondContact O-N 3.23Å; R382-M385 VanDerWaalsContact O-N 3.1Å | ||
| 383 | P | 94.7 | Very high | 97.1 | Very high | 128 Ų | 128 | 66.3 Ų | 66.3 | 83% | 0.831 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -25.1 | -173.8 | 25.6 | -34.5 | 0 | 0 | 0 | 113.3 | M385 | P383-M385 PolarHBondContact O-N 2.96Š|
| 384 | A | 97.1 | Very high | 97.1 | Very high | 70 Ų | 70 | 66.3 Ų | 66.3 | 58% | 0.579 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 20.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R382 K389 | R382-A384 PolarHBondContact O-N 3.09Å; A384-K389 PolarHBondContact O-NZ 3.26Å |
| 385 | M | 98.4 | Very high | 97 | Very high | 25 Ų | 25 | 66.2 Ų | 66.2 | 12% | 0.123 | 33% | 0.33 | C | S | . | . | trans | -73.4 | 139.3 | 173.4 | -170 | 62.7 | 68.9 | 0 | 0 | 110 | A373 G377 R382 P383 K389 | A373-M385 HydrophobicContact CB-CG 4.49Å; A373-M385 WeakPolarHBondContact O-CG 3.32Å; G377-M385 VanDerWaalsContact CA-CB 3.43Å; R382-M385 HydrophobicContact CB-CB 4.48Å; R382-M385 HydrophobicContact CB-CE 4.09Å; R382-M385 VanDerWaalsContact O-CB 3.25Å; R382-M385 WeakPolarHBondContact O-CB 3.27Å; R382-M385 PolarHBondContact O-N 3.23Å; R382-M385 VanDerWaalsContact O-N 3.1Å; P383-M385 PolarHBondContact O-N 2.96Å; M385-K389 HydrophobicContact SD-CB 3.84Å | ||
| 386 | N | 98.3 | Very high | 96.9 | Very high | 57 Ų | 57 | 72 Ų | 72 | 31% | 0.305 | 35% | 0.351 | S | S | . | . | trans | -147.8 | 172.6 | 177.7 | 61.6 | 27.4 | 0 | 0 | 0 | 109.5 | D388 K389 L390 | N386-D388 VanDerWaalsContact C-N 3.32Å; N386-D388 PolarHBondContact O-N 3.23Å; N386-D388 PolarHBondContact OD1-N 3.24Å; N386-K389 PolarHBondContact O-N 3.23Å; N386-K389 WeakPolarHBondContact OD1-CG 3.42Å; N386-K389 PolarHBondContact OD1-N 3.03Å; N386-L390 PolarHBondContact O-N 3.07Å | ||
| 387 | Y | 98.4 | Very high | 96.8 | Very high | 32 Ų | 32 | 72.3 Ų | 72.3 | 13% | 0.125 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.5 | -37.9 | -177.1 | 176.8 | -101.4 | 0 | 0 | 0 | 112.9 | L366 P369 E370 K389 L390 S391 L394 Y411 Y413 | L366-Y387 HydrophobicContact CD1-CE2 3.88Å; P369-Y387 HydrophobicContact CB-CD1 4.46Å; P369-Y387 HydrophobicContact CB-CD2 3.36Å; P369-Y387 HydrophobicContact CB-CE2 3.78Å; P369-Y387 HydrophobicContact CB-CG 3.73Å; E370-Y387 WeakPolarHBondContact OE1-CB 3.35Å; E370-Y387 PolarHBondContact OE2-N 3.45Å; Y387-K389 VanDerWaalsContact C-N 3.28Å; Y387-K389 PolarHBondContact O-N 3.23Å; Y387-L390 PolarHBondContact O-N 3.22Å; Y387-S391 WeakPolarHBondContact O-CB 3.49Å; Y387-S391 PolarHBondContact O-N 2.81Å; Y387-S391 PolarHBondContact O-OG 3.14Å; Y387-L394 HydrophobicContact CE2-CD1 4.37Å; Y387-Y411 HydrophobicContact CD1-CE1 4.16Å; Y387-Y411 HydrophobicContact CE1-CD1 4Å; Y387-Y411 AromaticContact CE1-CE1 3.48Å; Y387-Y411 HydrophobicContact CE1-CE1 3.48Å; Y387-Y411 VanDerWaalsContact CE1-CE1 3.48Å; Y387-Y411 HydrophobicContact CE2-CD1 4.05Å; Y387-Y411 HydrophobicContact CE2-CE1 4.28Å; Y387-Y411 AromaticContact CZ-CD1 3.53Å; Y387-Y411 AromaticContact CZ-CE1 3.54Å; Y387-Y411 WeakPolarHBondContact OH-CD1 3.25Å; Y387-Y413 PolarHBondContact OH-OH 3.21Å |
| 388 | D | 97.9 | Very high | 96.6 | Very high | 93 Ų | 93 | 75.9 Ų | 75.9 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -55.9 | -44.7 | 178 | 178 | 53.1 | 0 | 0 | 0 | 111.3 | N386 S391 R392 | N386-D388 VanDerWaalsContact C-N 3.32Å; N386-D388 PolarHBondContact O-N 3.23Å; N386-D388 PolarHBondContact OD1-N 3.24Å; D388-S391 PolarHBondContact O-OG 3.32Å; D388-R392 WeakPolarHBondContact O-CD 3.39Å; D388-R392 PolarHBondContact O-NE 3.31Å; D388-R392 IonicContact OD1-NE 3.36Å; D388-R392 IonicContact OD1-NH2 3.2Å |
| 389 | K | 97.8 | Very high | 96.4 | Very high | 105 Ų | 105 | 75.5 Ų | 75.5 | 46% | 0.457 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.8 | -45.8 | 176 | -68.4 | 172.8 | -174.2 | 176.4 | 0 | 112.6 | A384 M385 N386 Y387 S391 R392 | A384-K389 PolarHBondContact O-NZ 3.26Å; M385-K389 HydrophobicContact SD-CB 3.84Å; N386-K389 PolarHBondContact O-N 3.23Å; N386-K389 WeakPolarHBondContact OD1-CG 3.42Å; N386-K389 PolarHBondContact OD1-N 3.03Å; Y387-K389 VanDerWaalsContact C-N 3.28Å; Y387-K389 PolarHBondContact O-N 3.23Å; K389-S391 VanDerWaalsContact C-N 3.3Å; K389-S391 PolarHBondContact O-N 3.1Å; K389-R392 WeakPolarHBondContact O-CB 3.34Å; K389-R392 PolarHBondContact O-N 2.85Å |
| 390 | L | 98.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 80.7 Ų | 80.7 | 1% | 0.01 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 179.7 | -175.6 | 156.1 | 0 | 0 | 0 | 111.4 | L338 V372 A373 W376 N386 Y387 R392 S393 L394 | L338-L390 HydrophobicContact CD1-CD1 3.87Å; L338-L390 HydrophobicContact CD1-CD2 4.44Å; L338-L390 HydrophobicContact CD1-CG 3.97Å; L338-L390 HydrophobicContact CD2-CD2 3.87Å; L338-L390 HydrophobicContact CD2-CG 3.78Å; V372-L390 HydrophobicContact CG1-CD1 4.18Å; A373-L390 HydrophobicContact CB-CB 4.3Å; A373-L390 HydrophobicContact CB-CD1 4.01Å; W376-L390 HydrophobicContact CB-CD1 3.98Å; W376-L390 HydrophobicContact CG-CD1 4.22Å; N386-L390 PolarHBondContact O-N 3.07Å; Y387-L390 PolarHBondContact O-N 3.22Å; L390-R392 PolarHBondContact O-N 3.32Å; L390-R392 VanDerWaalsContact O-N 3.09Å; L390-S393 WeakPolarHBondContact O-CB 3.15Å; L390-S393 PolarHBondContact O-N 2.77Å; L390-L394 HydrophobicContact CD2-CD1 3.56Å; L390-L394 HydrophobicContact CD2-CG 3.83Å; L390-L394 PolarHBondContact O-N 3.43Å |
| 391 | S | 98 | Very high | 96.1 | Very high | 22 Ų | 22 | 79.3 Ų | 79.3 | 15% | 0.154 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.5 | -21.1 | -177.7 | 76.2 | 0 | 0 | 0 | 0 | 113.1 | Y387 D388 K389 L394 R395 | Y387-S391 WeakPolarHBondContact O-CB 3.49Å; Y387-S391 PolarHBondContact O-N 2.81Å; Y387-S391 PolarHBondContact O-OG 3.14Å; D388-S391 PolarHBondContact O-OG 3.32Å; K389-S391 VanDerWaalsContact C-N 3.3Å; K389-S391 PolarHBondContact O-N 3.1Å; S391-L394 PolarHBondContact O-N 3.3Å; S391-R395 PolarHBondContact O-N 3.39Å |
| 392 | R | 97.9 | Very high | 96 | Very high | 125 Ų | 125 | 73.1 Ų | 73.1 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.3 | -41.9 | 175.4 | -69.7 | 5.5 | -177.7 | 97.7 | -7.2 | 110.7 | D388 K389 L390 R395 Y396 | D388-R392 WeakPolarHBondContact O-CD 3.39Å; D388-R392 PolarHBondContact O-NE 3.31Å; D388-R392 IonicContact OD1-NE 3.36Å; D388-R392 IonicContact OD1-NH2 3.2Å; K389-R392 WeakPolarHBondContact O-CB 3.34Å; K389-R392 PolarHBondContact O-N 2.85Å; L390-R392 PolarHBondContact O-N 3.32Å; L390-R392 VanDerWaalsContact O-N 3.09Å; R392-R395 WeakPolarHBondContact O-CB 3.4Å; R392-R395 PolarHBondContact O-N 3.2Å; R392-Y396 HydrophobicContact CB-CE2 4.5Å; R392-Y396 WeakPolarHBondContact O-CD2 3.47Å; R392-Y396 PolarHBondContact O-N 3.3Å |
| 393 | S | 96.8 | Very high | 96 | Very high | 41 Ų | 41 | 65.7 Ų | 65.7 | 29% | 0.287 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 172.2 | -62.9 | 0 | 0 | 0 | 0 | 112.4 | L338 L390 R395 Y396 Y397 | L338-S393 VanDerWaalsContact CD2-CB 3.44Å; L390-S393 WeakPolarHBondContact O-CB 3.15Å; L390-S393 PolarHBondContact O-N 2.77Å; S393-R395 PolarHBondContact O-N 3.04Å; S393-Y396 PolarHBondContact O-N 3.28Å; S393-Y397 VanDerWaalsContact O-CD2 3.23Å; S393-Y397 WeakPolarHBondContact O-CD2 3.16Å; S393-Y397 VanDerWaalsContact O-CG 3.28Å; S393-Y397 PolarHBondContact O-N 2.77Å |
| 394 | L | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.4 | -36.2 | 173.9 | -66.6 | 175.8 | 0 | 0 | 0 | 112.2 | L338 L342 L366 Y387 L390 S391 Y397 Y398 M403 Y413 | L338-L394 HydrophobicContact CD2-CD2 4.33Å; L338-L394 HydrophobicContact CD2-CG 4.37Å; L342-L394 HydrophobicContact CD1-CD2 3.72Å; L366-L394 HydrophobicContact CD1-CD1 3.82Å; Y387-L394 HydrophobicContact CE2-CD1 4.37Å; L390-L394 HydrophobicContact CD2-CD1 3.56Å; L390-L394 HydrophobicContact CD2-CG 3.83Å; L390-L394 PolarHBondContact O-N 3.43Å; S391-L394 PolarHBondContact O-N 3.3Å; L394-Y397 HydrophobicContact CD2-CD2 4.41Å; L394-Y397 PolarHBondContact O-N 3.14Å; L394-Y398 WeakPolarHBondContact O-CD1 3.12Å; L394-Y398 PolarHBondContact O-N 3.13Å; L394-M403 HydrophobicContact CD2-SD 4.02Å; L394-Y413 HydrophobicContact CB-CE1 4.03Å; L394-Y413 HydrophobicContact CD1-CD2 4.43Å; L394-Y413 HydrophobicContact CD1-CE1 4.21Å; L394-Y413 HydrophobicContact CD1-CE2 3.83Å |
| 395 | R | 97.1 | Very high | 96 | Very high | 122 Ų | 122 | 64.8 Ų | 64.8 | 46% | 0.46 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.7 | -48.9 | 173.5 | 169.3 | 159.8 | -160.6 | 160.2 | 4.9 | 112.8 | S391 R392 S393 Y397 Y398 E399 | S391-R395 PolarHBondContact O-N 3.39Å; R392-R395 WeakPolarHBondContact O-CB 3.4Å; R392-R395 PolarHBondContact O-N 3.2Å; S393-R395 PolarHBondContact O-N 3.04Å; R395-Y397 PolarHBondContact O-N 3.37Å; R395-Y398 HydrophobicContact CB-CE1 3.83Å; R395-Y398 HydrophobicContact CB-CE2 4.4Å; R395-Y398 WeakPolarHBondContact CD-OH 3.46Å; R395-Y398 HydrophobicContact CG-CE1 4.15Å; R395-Y398 HydrophobicContact CG-CE2 3.86Å; R395-Y398 VanDerWaalsContact CG-CZ 3.45Å; R395-Y398 WeakPolarHBondContact CG-OH 3.33Å; R395-Y398 PolarHBondContact NE-OH 3.22Å; R395-Y398 VanDerWaalsContact O-CD2 3.27Å; R395-Y398 WeakPolarHBondContact O-CD2 3.45Å; R395-Y398 WeakPolarHBondContact O-CE2 2.99Å; R395-Y398 PolarHBondContact O-N 3.3Å; R395-E399 VanDerWaalsContact CG-OE1 3.28Å; R395-E399 WeakPolarHBondContact CG-OE1 3.42Å; R395-E399 IonicContact CZ-OE1 3.52Å; R395-E399 IonicContact NE-OE1 3.68Å; R395-E399 PolarHBondContact NE-OE1 2.95Å; R395-E399 WeakPolarHBondContact O-CG 3.4Å; R395-E399 PolarHBondContact O-N 3.45Å; R395-E399 VanDerWaalsContact O-N 3.07Å |
| 396 | Y | 96.1 | Very high | 95.9 | Very high | 144 Ų | 144 | 65 Ų | 65 | 57% | 0.565 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -57.3 | -36.6 | 173.9 | -68.8 | -58.6 | 0 | 0 | 0 | 112.2 | R392 S393 E399 K400 | R392-Y396 HydrophobicContact CB-CE2 4.5Å; R392-Y396 WeakPolarHBondContact O-CD2 3.47Å; R392-Y396 PolarHBondContact O-N 3.3Å; S393-Y396 PolarHBondContact O-N 3.28Å; Y396-E399 PolarHBondContact O-N 3.06Å; Y396-K400 VanDerWaalsContact O-CB 3.29Å; Y396-K400 WeakPolarHBondContact O-CB 3.27Å; Y396-K400 WeakPolarHBondContact O-CG 3.28Å; Y396-K400 PolarHBondContact O-N 2.77Å |
| 397 | Y | 95.4 | Very high | 95.8 | Very high | 28 Ų | 28 | 66.7 Ų | 66.7 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.4 | -35.5 | 179.2 | -64.7 | -36.1 | 0 | 0 | 0 | 114.2 | L338 W339 S393 L394 R395 G401 I402 M403 | L338-Y397 HydrophobicContact CB-CE2 3.91Å; L338-Y397 HydrophobicContact CD2-CE2 4.04Å; L338-Y397 HydrophobicContact CG-CE2 4.15Å; L338-Y397 PolarHBondContact N-OH 2.86Å; W339-Y397 HydrophobicContact CB-CD2 4.39Å; W339-Y397 HydrophobicContact CB-CE2 3.91Å; W339-Y397 AromaticContact CD1-CZ 3.88Å; W339-Y397 PolarHBondContact N-OH 3.13Å; S393-Y397 VanDerWaalsContact O-CD2 3.23Å; S393-Y397 WeakPolarHBondContact O-CD2 3.16Å; S393-Y397 VanDerWaalsContact O-CG 3.28Å; S393-Y397 PolarHBondContact O-N 2.77Å; L394-Y397 HydrophobicContact CD2-CD2 4.41Å; L394-Y397 PolarHBondContact O-N 3.14Å; R395-Y397 PolarHBondContact O-N 3.37Å; Y397-G401 PolarHBondContact O-N 2.98Å; Y397-I402 HydrophobicContact CD1-CD1 3.93Å; Y397-I402 HydrophobicContact CE1-CD1 4.43Å; Y397-I402 PolarHBondContact O-N 3.29Å; Y397-M403 HydrophobicContact CD2-CE 3.99Å; Y397-M403 HydrophobicContact CD2-SD 3.89Å; Y397-M403 HydrophobicContact CG-SD 4.26Å; Y397-M403 PolarHBondContact O-N 3.43Å; Y397-M403 VanDerWaalsContact O-N 3.08Å |
| 398 | Y | 93.6 | Very high | 95.6 | Very high | 76 Ų | 76 | 69.3 Ų | 69.3 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -75.5 | -31.3 | 173.7 | 66.4 | -122.1 | 0 | 0 | 0 | 113.3 | L394 R395 K400 G401 M403 K405 | L394-Y398 WeakPolarHBondContact O-CD1 3.12Å; L394-Y398 PolarHBondContact O-N 3.13Å; R395-Y398 HydrophobicContact CB-CE1 3.83Å; R395-Y398 HydrophobicContact CB-CE2 4.4Å; R395-Y398 WeakPolarHBondContact CD-OH 3.46Å; R395-Y398 HydrophobicContact CG-CE1 4.15Å; R395-Y398 HydrophobicContact CG-CE2 3.86Å; R395-Y398 VanDerWaalsContact CG-CZ 3.45Å; R395-Y398 WeakPolarHBondContact CG-OH 3.33Å; R395-Y398 PolarHBondContact NE-OH 3.22Å; R395-Y398 VanDerWaalsContact O-CD2 3.27Å; R395-Y398 WeakPolarHBondContact O-CD2 3.45Å; R395-Y398 WeakPolarHBondContact O-CE2 2.99Å; R395-Y398 PolarHBondContact O-N 3.3Å; Y398-K400 VanDerWaalsContact C-N 3.29Å; Y398-G401 PolarHBondContact O-N 3.5Å; Y398-M403 WeakPolarHBondContact CA-O 3.49Å; Y398-M403 WeakPolarHBondContact CB-O 3.33Å; Y398-K405 HydrophobicContact CD1-CB 3.99Å; Y398-K405 HydrophobicContact CE1-CB 4.32Å |
| 399 | E | 91.5 | Very high | 95.5 | Very high | 110 Ų | 110 | 69 Ų | 69 | 51% | 0.514 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.3 | -32.6 | 173.7 | -70.1 | 170.4 | -172.9 | 0 | 0 | 111.1 | R395 Y396 G401 | R395-E399 VanDerWaalsContact CG-OE1 3.28Å; R395-E399 WeakPolarHBondContact CG-OE1 3.42Å; R395-E399 IonicContact CZ-OE1 3.52Å; R395-E399 IonicContact NE-OE1 3.68Å; R395-E399 PolarHBondContact NE-OE1 2.95Å; R395-E399 WeakPolarHBondContact O-CG 3.4Å; R395-E399 PolarHBondContact O-N 3.45Å; R395-E399 VanDerWaalsContact O-N 3.07Å; Y396-E399 PolarHBondContact O-N 3.06Å; E399-G401 VanDerWaalsContact C-N 3.3Å |
| 400 | K | 90.8 | Very high | 95.5 | Very high | 154 Ų | 154 | 72.2 Ų | 72.2 | 67% | 0.67 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 1 | 176 | -68.8 | -66.6 | -177.8 | -175.7 | 0 | 114.3 | Y396 Y398 I402 | Y396-K400 VanDerWaalsContact O-CB 3.29Å; Y396-K400 WeakPolarHBondContact O-CB 3.27Å; Y396-K400 WeakPolarHBondContact O-CG 3.28Å; Y396-K400 PolarHBondContact O-N 2.77Å; Y398-K400 VanDerWaalsContact C-N 3.29Å; K400-I402 HydrophobicContact CB-CD1 4.08Å; K400-I402 HydrophobicContact CB-CG1 4.18Å; K400-I402 PolarHBondContact O-N 3.33Å |
| 401 | G | 91.7 | Very high | 95.5 | Very high | 31 Ų | 31 | 75 Ų | 75 | 32% | 0.32 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 11.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y397 Y398 E399 V416 A421 | Y397-G401 PolarHBondContact O-N 2.98Å; Y398-G401 PolarHBondContact O-N 3.5Å; E399-G401 VanDerWaalsContact C-N 3.3Å; G401-V416 VanDerWaalsContact O-CB 3.24Å; G401-V416 WeakPolarHBondContact O-CB 3.35Å; G401-V416 VanDerWaalsContact O-CG2 3.26Å; G401-V416 WeakPolarHBondContact O-CG2 3.44Å; G401-A421 VanDerWaalsContact O-CB 3.31Å; G401-A421 WeakPolarHBondContact O-CB 3.34Å |
| 402 | I | 92.5 | Very high | 95.5 | Very high | 14 Ų | 14 | 74 Ų | 74 | 7% | 0.072 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -74.8 | -34.6 | 175 | -64.1 | 169.6 | 0 | 0 | 0 | 109.9 | Y397 K400 V416 L425 | Y397-I402 HydrophobicContact CD1-CD1 3.93Å; Y397-I402 HydrophobicContact CE1-CD1 4.43Å; Y397-I402 PolarHBondContact O-N 3.29Å; K400-I402 HydrophobicContact CB-CD1 4.08Å; K400-I402 HydrophobicContact CB-CG1 4.18Å; K400-I402 PolarHBondContact O-N 3.33Å; I402-V416 PolarHBondContact O-N 3.48Å; I402-V416 VanDerWaalsContact O-N 3.08Å; I402-L425 HydrophobicContact CG2-CD1 4.41Å; I402-L425 HydrophobicContact CG2-CD2 3.42Å; I402-L425 VanDerWaalsContact CG2-CD2 3.42Å; I402-L425 HydrophobicContact CG2-CG 3.93Å |
| 403 | M | 95.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 171.9 | 176.6 | -66.6 | 174.3 | -179.6 | 0 | 0 | 110.5 | W339 L342 F364 L394 Y397 Y398 K414 F415 | W339-M403 HydrophobicContact CB-CE 3.7Å; L342-M403 HydrophobicContact CD1-CE 4.15Å; F364-M403 HydrophobicContact CE1-CE 4.38Å; F364-M403 HydrophobicContact CE1-SD 4.46Å; F364-M403 HydrophobicContact CZ-CE 4.26Å; F364-M403 HydrophobicContact CZ-SD 4.3Å; L394-M403 HydrophobicContact CD2-SD 4.02Å; Y397-M403 HydrophobicContact CD2-CE 3.99Å; Y397-M403 HydrophobicContact CD2-SD 3.89Å; Y397-M403 HydrophobicContact CG-SD 4.26Å; Y397-M403 PolarHBondContact O-N 3.43Å; Y397-M403 VanDerWaalsContact O-N 3.08Å; Y398-M403 WeakPolarHBondContact CA-O 3.49Å; Y398-M403 WeakPolarHBondContact CB-O 3.33Å; M403-K414 CarbonylContact C-O 3.59Å; M403-K414 WeakPolarHBondContact CA-O 3.44Å; M403-F415 HydrophobicContact CE-CD1 3.84Å; M403-F415 HydrophobicContact CE-CE1 3.15Å; M403-F415 HydrophobicContact CE-CE2 4.14Å; M403-F415 HydrophobicContact CE-CZ 3.32Å; M403-F415 HydrophobicContact CG-CD1 3.97Å; M403-F415 HydrophobicContact CG-CE1 4.25Å; M403-F415 HydrophobicContact CG-CG 4.43Å |
| 404 | Q | 95.8 | Very high | 95.5 | Very high | 99 Ų | 99 | 70.8 Ų | 70.8 | 46% | 0.463 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 140.3 | 168.7 | -75.7 | 171.9 | 23.6 | 0 | 0 | 108.9 | Y413 K414 V416 | Q404-Y413 CarbonylContact O-C 3.52Å; Q404-Y413 WeakPolarHBondContact O-CA 3.17Å; Q404-K414 PolarHBondContact N-O 3.06Å; Q404-K414 PolarHBondContact O-N 3.48Å; Q404-V416 HydrophobicContact CB-CG2 4.49Å; Q404-V416 HydrophobicContact CG-CG2 3.64Å |
| 405 | K | 96.7 | Very high | 95.4 | Very high | 81 Ų | 81 | 71.2 Ų | 71.2 | 35% | 0.352 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 121.1 | 169.8 | -179 | 71.2 | -166.2 | 76.8 | 0 | 108.6 | Y398 A407 E409 V412 Y413 | Y398-K405 HydrophobicContact CD1-CB 3.99Å; Y398-K405 HydrophobicContact CE1-CB 4.32Å; K405-A407 PolarHBondContact O-N 3.49Å; K405-E409 PolarHBondContact NZ-O 3.3Å; K405-V412 PolarHBondContact NZ-O 3.43Å; K405-Y413 HydrophobicContact CD-CD1 3.82Å; K405-Y413 HydrophobicContact CD-CE1 3.36Å |
| 406 | V | 96.7 | Very high | 95.2 | Very high | 30 Ų | 30 | 65.9 Ų | 65.9 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 121 | 172.9 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | E363 E409 V412 K414 | E363-V406 HydrophobicContact CG-CG2 4.11Å; V406-E409 HydrophobicContact CG1-CB 4.12Å; V406-E409 HydrophobicContact CG1-CG 4.26Å; V406-V412 HydrophobicContact CB-CB 4.08Å; V406-V412 HydrophobicContact CB-CG1 3.86Å; V406-V412 HydrophobicContact CG1-CG1 4.29Å; V406-V412 HydrophobicContact CG2-CB 4.37Å; V406-V412 HydrophobicContact CG2-CG1 3.68Å; V406-V412 PolarHBondContact N-O 3.42Å; V406-K414 HydrophobicContact CG2-CB 4.42Å |
| 407 | A | 95.1 | Very high | 94.3 | Very high | 92 Ų | 92 | 64.1 Ų | 64.1 | 76% | 0.76 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -69.9 | 147.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | K405 E409 | K405-A407 PolarHBondContact O-N 3.49Å; A407-E409 PolarHBondContact O-N 3.25Å |
| 408 | G | 94.8 | Very high | 93.5 | Very high | 87 Ų | 87 | 67.9 Ų | 67.9 | 90% | 0.897 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 77 | -24 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 409 | E | 96.4 | Very high | 92.6 | Very high | 85 Ų | 85 | 68.3 Ų | 68.3 | 40% | 0.397 | 37% | 0.372 | S | S | . | . | trans | -99.9 | 131.4 | -179.8 | -76 | -65.2 | 137.2 | 0 | 0 | 112.6 | K365 K405 V406 A407 V412 | K365-E409 IonicContact NZ-OE2 3.64Å; K405-E409 PolarHBondContact NZ-O 3.3Å; V406-E409 HydrophobicContact CG1-CB 4.12Å; V406-E409 HydrophobicContact CG1-CG 4.26Å; A407-E409 PolarHBondContact O-N 3.25Å; E409-V412 HydrophobicContact CB-CB 3.71Å; E409-V412 HydrophobicContact CB-CG1 4.5Å; E409-V412 HydrophobicContact CB-CG2 3.6Å; E409-V412 HydrophobicContact CG-CG2 4.24Å | ||
| 410 | R | 96.9 | Very high | 91.6 | Very high | 173 Ų | 173 | 68.9 Ų | 68.9 | 65% | 0.653 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 134.7 | 173.4 | -68.3 | -176.6 | 65.1 | -176 | 0.2 | 110.1 | V412 | R410-V412 PolarHBondContact O-N 2.94Å; R410-V412 VanDerWaalsContact O-N 3.13Å |
| 411 | Y | 97.9 | Very high | 90.9 | Very high | 62 Ų | 62 | 61.7 Ų | 61.7 | 24% | 0.243 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 17.1 | 174.1 | -46.6 | -61.4 | 0 | 0 | 0 | 115.9 | L366 P369 Y387 | L366-Y411 PolarHBondContact N-O 3.49Å; L366-Y411 VanDerWaalsContact O-CB 3.32Å; L366-Y411 WeakPolarHBondContact O-CB 3.43Å; P369-Y411 HydrophobicContact CB-CD1 4.22Å; P369-Y411 HydrophobicContact CB-CE1 4.34Å; P369-Y411 HydrophobicContact CG-CD1 4.15Å; P369-Y411 HydrophobicContact CG-CD2 4.24Å; P369-Y411 HydrophobicContact CG-CE1 4.04Å; P369-Y411 HydrophobicContact CG-CE2 4.14Å; P369-Y411 HydrophobicContact CG-CG 4.25Å; Y387-Y411 HydrophobicContact CD1-CE1 4.16Å; Y387-Y411 HydrophobicContact CE1-CD1 4Å; Y387-Y411 AromaticContact CE1-CE1 3.48Å; Y387-Y411 HydrophobicContact CE1-CE1 3.48Å; Y387-Y411 VanDerWaalsContact CE1-CE1 3.48Å; Y387-Y411 HydrophobicContact CE2-CD1 4.05Å; Y387-Y411 HydrophobicContact CE2-CE1 4.28Å; Y387-Y411 AromaticContact CZ-CD1 3.53Å; Y387-Y411 AromaticContact CZ-CE1 3.54Å; Y387-Y411 WeakPolarHBondContact OH-CD1 3.25Å |
| 412 | V | 98.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 133.8 | 176 | -174.2 | 0 | 0 | 0 | 0 | 110.6 | T358 E363 F364 K365 K405 V406 E409 R410 | T358-V412 HydrophobicContact CG2-CG1 4.47Å; E363-V412 HydrophobicContact CG-CG1 3.59Å; F364-V412 WeakPolarHBondContact O-CA 3.29Å; F364-V412 WeakPolarHBondContact O-CG1 3.26Å; K365-V412 HydrophobicContact CB-CG2 4Å; K365-V412 HydrophobicContact CD-CG2 3.72Å; K365-V412 HydrophobicContact CG-CG2 3.72Å; K405-V412 PolarHBondContact NZ-O 3.43Å; V406-V412 HydrophobicContact CB-CB 4.08Å; V406-V412 HydrophobicContact CB-CG1 3.86Å; V406-V412 HydrophobicContact CG1-CG1 4.29Å; V406-V412 HydrophobicContact CG2-CB 4.37Å; V406-V412 HydrophobicContact CG2-CG1 3.68Å; V406-V412 PolarHBondContact N-O 3.42Å; E409-V412 HydrophobicContact CB-CB 3.71Å; E409-V412 HydrophobicContact CB-CG1 4.5Å; E409-V412 HydrophobicContact CB-CG2 3.6Å; E409-V412 HydrophobicContact CG-CG2 4.24Å; R410-V412 PolarHBondContact O-N 2.94Å; R410-V412 VanDerWaalsContact O-N 3.13Å |
| 413 | Y | 98 | Very high | 89.3 | Confident | 13 Ų | 13 | 68.2 Ų | 68.2 | 5% | 0.051 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 158.2 | -176.9 | -58.7 | -92.3 | 0 | 0 | 0 | 109.7 | E363 F364 L366 Y387 L394 Q404 K405 | E363-Y413 CarbonylContact C-O 3.58Å; E363-Y413 WeakPolarHBondContact CA-O 3.44Å; E363-Y413 WeakPolarHBondContact CG-O 3.18Å; F364-Y413 WeakPolarHBondContact CD1-O 3.47Å; F364-Y413 HydrophobicContact CE2-CD2 4.27Å; F364-Y413 HydrophobicContact CZ-CD2 4.39Å; F364-Y413 HydrophobicContact CZ-CG 4.26Å; F364-Y413 PolarHBondContact N-O 2.95Å; F364-Y413 PolarHBondContact O-N 3.37Å; F364-Y413 VanDerWaalsContact O-O 3.04Å; L366-Y413 HydrophobicContact CD1-CD2 4.24Å; L366-Y413 HydrophobicContact CD1-CE2 3.81Å; Y387-Y413 PolarHBondContact OH-OH 3.21Å; L394-Y413 HydrophobicContact CB-CE1 4.03Å; L394-Y413 HydrophobicContact CD1-CD2 4.43Å; L394-Y413 HydrophobicContact CD1-CE1 4.21Å; L394-Y413 HydrophobicContact CD1-CE2 3.83Å; Q404-Y413 CarbonylContact O-C 3.52Å; Q404-Y413 WeakPolarHBondContact O-CA 3.17Å; K405-Y413 HydrophobicContact CD-CD1 3.82Å; K405-Y413 HydrophobicContact CD-CE1 3.36Å |
| 414 | K | 96.6 | Very high | 88.4 | Confident | 85 Ų | 85 | 70.6 Ų | 70.6 | 37% | 0.37 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 130.9 | 179.4 | -176.3 | 178.9 | 179.4 | -174.8 | 0 | 110.2 | M362 E363 M403 Q404 V406 | M362-K414 CarbonylContact O-C 3.59Å; M362-K414 WeakPolarHBondContact O-CA 3.21Å; E363-K414 HydrophobicContact CB-CB 4.23Å; E363-K414 HydrophobicContact CB-CG 4.18Å; E363-K414 HydrophobicContact CG-CB 4.41Å; M403-K414 CarbonylContact C-O 3.59Å; M403-K414 WeakPolarHBondContact CA-O 3.44Å; Q404-K414 PolarHBondContact N-O 3.06Å; Q404-K414 PolarHBondContact O-N 3.48Å; V406-K414 HydrophobicContact CG2-CB 4.42Å |
| 415 | F | 95.9 | Very high | 87.6 | Confident | 8 Ų | 8 | 67.1 Ų | 67.1 | 4% | 0.035 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 138.6 | 169.8 | -70.3 | -91.5 | 0 | 0 | 0 | 110.1 | W339 V343 L346 W357 M362 F364 M403 | W339-F415 HydrophobicContact CB-CE1 4.07Å; W339-F415 HydrophobicContact CE3-CE1 4.43Å; V343-F415 HydrophobicContact CG2-CE1 4.01Å; V343-F415 HydrophobicContact CG2-CE2 3.99Å; V343-F415 HydrophobicContact CG2-CZ 3.48Å; V343-F415 VanDerWaalsContact CG2-CZ 3.48Å; L346-F415 HydrophobicContact CD1-CE2 4.26Å; W357-F415 AromaticContact CH2-CD2 3.86Å; W357-F415 HydrophobicContact CH2-CD2 3.86Å; W357-F415 AromaticContact CH2-CE2 3.95Å; W357-F415 HydrophobicContact CH2-CE2 3.95Å; W357-F415 HydrophobicContact CZ3-CD2 4.08Å; W357-F415 HydrophobicContact CZ3-CE2 4.4Å; M362-F415 HydrophobicContact CB-CB 3.97Å; M362-F415 HydrophobicContact CE-CB 4.31Å; M362-F415 HydrophobicContact CE-CD2 4.5Å; M362-F415 PolarHBondContact O-N 2.68Å; F364-F415 AromaticContact CD1-CD2 3.82Å; F364-F415 HydrophobicContact CD1-CD2 3.82Å; F364-F415 AromaticContact CD1-CE2 3.66Å; F364-F415 HydrophobicContact CD1-CE2 3.66Å; F364-F415 AromaticContact CE1-CD2 3.69Å; F364-F415 HydrophobicContact CE1-CD2 3.69Å; F364-F415 AromaticContact CE1-CE2 3.38Å; F364-F415 HydrophobicContact CE1-CE2 3.38Å; F364-F415 HydrophobicContact CE1-CZ 4.13Å; F364-F415 HydrophobicContact CZ-CE2 4.24Å; M403-F415 HydrophobicContact CE-CD1 3.84Å; M403-F415 HydrophobicContact CE-CE1 3.15Å; M403-F415 HydrophobicContact CE-CE2 4.14Å; M403-F415 HydrophobicContact CE-CZ 3.32Å; M403-F415 HydrophobicContact CG-CD1 3.97Å; M403-F415 HydrophobicContact CG-CE1 4.25Å; M403-F415 HydrophobicContact CG-CG 4.43Å |
| 416 | V | 92.4 | Very high | 86.5 | Confident | 11 Ų | 11 | 66.1 Ų | 66.1 | 7% | 0.067 | 38% | 0.379 | C | S | . | . | trans | -85.6 | 135 | 177.6 | -173 | 0 | 0 | 0 | 0 | 108.9 | G401 I402 Q404 E418 A421 | G401-V416 VanDerWaalsContact O-CB 3.24Å; G401-V416 WeakPolarHBondContact O-CB 3.35Å; G401-V416 VanDerWaalsContact O-CG2 3.26Å; G401-V416 WeakPolarHBondContact O-CG2 3.44Å; I402-V416 PolarHBondContact O-N 3.48Å; I402-V416 VanDerWaalsContact O-N 3.08Å; Q404-V416 HydrophobicContact CB-CG2 4.49Å; Q404-V416 HydrophobicContact CG-CG2 3.64Å; V416-E418 HydrophobicContact CG1-CB 3.8Å; V416-E418 HydrophobicContact CG1-CG 3.69Å; V416-A421 HydrophobicContact CB-CB 3.98Å; V416-A421 HydrophobicContact CG1-CB 4.11Å | ||
| 417 | C | 78.4 | Confident | 85.5 | Confident | 106 Ų | 106 | 68.9 Ų | 68.9 | 72% | 0.716 | 39% | 0.388 | S | S | * | . | trans | -110.4 | 56.5 | 174.8 | -159.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 418 | E | 78.9 | Confident | 84.1 | Confident | 108 Ų | 108 | 66.6 Ų | 66.6 | 51% | 0.505 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -107.2 | 148.2 | 173.6 | -75.7 | 176.5 | -173.9 | 0 | 0 | 109 | V416 E420 A421 L422 | V416-E418 HydrophobicContact CG1-CB 3.8Å; V416-E418 HydrophobicContact CG1-CG 3.69Å; E418-E420 PolarHBondContact O-N 3.42Å; E418-E420 VanDerWaalsContact O-N 3.15Å; E418-A421 HydrophobicContact CB-CB 4.46Å; E418-A421 WeakPolarHBondContact O-CA 3.5Å; E418-A421 WeakPolarHBondContact O-CB 3.35Å; E418-A421 PolarHBondContact O-N 2.94Å; E418-L422 PolarHBondContact O-N 3.09Å |
| 419 | P | 73.9 | Confident | 82.3 | Confident | 84 Ų | 84 | 66.8 Ų | 66.8 | 55% | 0.545 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -50.3 | -40.1 | -178.7 | -25.7 | 33.4 | 0 | 0 | 0 | 113.4 | L422 I423 | P419-L422 PolarHBondContact O-N 3.18Å; P419-I423 VanDerWaalsContact O-CG1 3.29Å; P419-I423 WeakPolarHBondContact O-CG1 3.5Å; P419-I423 PolarHBondContact O-N 3.47Å |
| 420 | E | 70.6 | Confident | 80.1 | Confident | 123 Ų | 123 | 71 Ų | 71 | 58% | 0.575 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -68.9 | -36.8 | -179.8 | -62.1 | 72.6 | -159.6 | 0 | 0 | 112.1 | E418 S424 | E418-E420 PolarHBondContact O-N 3.42Å; E418-E420 VanDerWaalsContact O-N 3.15Å; E420-S424 PolarHBondContact O-N 3.47Å; E420-S424 PolarHBondContact O-OG 3.47Å |
| 421 | A | 75.9 | Confident | 78 | Confident | 3 Ų | 3 | 70.1 Ų | 70.1 | 3% | 0.025 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.5 | -39.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | G401 V416 E418 I423 S424 L425 | G401-A421 VanDerWaalsContact O-CB 3.31Å; G401-A421 WeakPolarHBondContact O-CB 3.34Å; V416-A421 HydrophobicContact CB-CB 3.98Å; V416-A421 HydrophobicContact CG1-CB 4.11Å; E418-A421 HydrophobicContact CB-CB 4.46Å; E418-A421 WeakPolarHBondContact O-CA 3.5Å; E418-A421 WeakPolarHBondContact O-CB 3.35Å; E418-A421 PolarHBondContact O-N 2.94Å; A421-I423 VanDerWaalsContact C-N 3.35Å; A421-I423 PolarHBondContact O-N 3.41Å; A421-S424 PolarHBondContact O-N 3.01Å; A421-L425 WeakPolarHBondContact O-CB 3.29Å; A421-L425 VanDerWaalsContact O-CG 3.29Å; A421-L425 WeakPolarHBondContact O-CG 3.49Å; A421-L425 PolarHBondContact O-N 3.42Å |
| 422 | L | 76.2 | Confident | 75.6 | Confident | 92 Ų | 92 | 77 Ų | 77 | 48% | 0.482 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 175.4 | -71.4 | 173 | 0 | 0 | 0 | 111.7 | E418 P419 S424 L425 A426 | E418-L422 PolarHBondContact O-N 3.09Å; P419-L422 PolarHBondContact O-N 3.18Å; L422-S424 VanDerWaalsContact C-N 3.32Å; L422-S424 PolarHBondContact O-N 3.16Å; L422-L425 PolarHBondContact O-N 3.41Å; L422-A426 WeakPolarHBondContact O-CB 3.41Å; L422-A426 PolarHBondContact O-N 3.02Å |
| 423 | I | 74.8 | Confident | 73.1 | Confident | 89 Ų | 89 | 80 Ų | 80 | 46% | 0.456 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 174.4 | -66.6 | 161.9 | 0 | 0 | 0 | 110.5 | P419 A421 L425 A426 F427 | P419-I423 VanDerWaalsContact O-CG1 3.29Å; P419-I423 WeakPolarHBondContact O-CG1 3.5Å; P419-I423 PolarHBondContact O-N 3.47Å; A421-I423 VanDerWaalsContact C-N 3.35Å; A421-I423 PolarHBondContact O-N 3.41Å; I423-L425 VanDerWaalsContact C-N 3.32Å; I423-L425 PolarHBondContact O-N 2.93Å; I423-A426 PolarHBondContact O-N 3.18Å; I423-F427 HydrophobicContact CG2-CD2 4.24Å; I423-F427 WeakPolarHBondContact O-CD2 3.43Å; I423-F427 PolarHBondContact O-N 3.45Å |
| 424 | S | 76 | Confident | 70.5 | Confident | 50 Ų | 50 | 84.6 Ų | 84.6 | 35% | 0.35 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.7 | -31.2 | 179 | -58.1 | 0 | 0 | 0 | 0 | 113.2 | E420 A421 L422 | E420-S424 PolarHBondContact O-N 3.47Å; E420-S424 PolarHBondContact O-OG 3.47Å; A421-S424 PolarHBondContact O-N 3.01Å; L422-S424 VanDerWaalsContact C-N 3.32Å; L422-S424 PolarHBondContact O-N 3.16Å |
| 425 | L | 79.3 | Confident | 68.1 | Low | 26 Ų | 26 | 86.9 Ų | 86.9 | 14% | 0.136 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -78.5 | -38.4 | 175 | -73.8 | 169.3 | 0 | 0 | 0 | 112.3 | W339 I402 A421 L422 I423 | W339-L425 HydrophobicContact CD2-CD2 3.35Å; W339-L425 VanDerWaalsContact CE2-CD2 3.43Å; W339-L425 HydrophobicContact CE3-CD2 3.48Å; W339-L425 VanDerWaalsContact CE3-CD2 3.48Å; W339-L425 HydrophobicContact CG-CD2 3.99Å; W339-L425 HydrophobicContact CH2-CB 4.17Å; W339-L425 HydrophobicContact CH2-CD2 3.77Å; W339-L425 HydrophobicContact CZ2-CB 4.23Å; W339-L425 HydrophobicContact CZ2-CD2 3.66Å; W339-L425 WeakPolarHBondContact CZ2-O 3.41Å; W339-L425 HydrophobicContact CZ3-CD2 3.7Å; I402-L425 HydrophobicContact CG2-CD1 4.41Å; I402-L425 HydrophobicContact CG2-CD2 3.42Å; I402-L425 VanDerWaalsContact CG2-CD2 3.42Å; I402-L425 HydrophobicContact CG2-CG 3.93Å; A421-L425 WeakPolarHBondContact O-CB 3.29Å; A421-L425 VanDerWaalsContact O-CG 3.29Å; A421-L425 WeakPolarHBondContact O-CG 3.49Å; A421-L425 PolarHBondContact O-N 3.42Å; L422-L425 PolarHBondContact O-N 3.41Å; I423-L425 VanDerWaalsContact C-N 3.32Å; I423-L425 PolarHBondContact O-N 2.93Å |
| 426 | A | 72.8 | Confident | 65.3 | Low | 61 Ų | 61 | 95.6 Ų | 95.6 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.8 | -30.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L422 I423 P428 | L422-A426 WeakPolarHBondContact O-CB 3.41Å; L422-A426 PolarHBondContact O-N 3.02Å; I423-A426 PolarHBondContact O-N 3.18Å; A426-P428 VanDerWaalsContact O-CD 3.25Å; A426-P428 WeakPolarHBondContact O-CD 3.31Å |
| 427 | F | 75.9 | Confident | 63.1 | Low | 87 Ų | 87 | 98.6 Ų | 98.6 | 38% | 0.382 | 53% | 0.533 | S | S | . | . | trans | -123.3 | 75.3 | -177.5 | -55.3 | -71.8 | 0 | 0 | 0 | 111.4 | I423 D429 Q431 P433 | I423-F427 HydrophobicContact CG2-CD2 4.24Å; I423-F427 WeakPolarHBondContact O-CD2 3.43Å; I423-F427 PolarHBondContact O-N 3.45Å; F427-D429 VanDerWaalsContact C-N 3.25Å; F427-D429 PolarHBondContact O-N 3.45Å; F427-Q431 VanDerWaalsContact CD1-O 3.27Å; F427-Q431 WeakPolarHBondContact CD1-O 3.38Å; F427-P433 HydrophobicContact CD1-CG 4.09Å; F427-P433 HydrophobicContact CE1-CG 3.42Å; F427-P433 VanDerWaalsContact CE1-CG 3.42Å; F427-P433 HydrophobicContact CE2-CG 4.15Å; F427-P433 HydrophobicContact CZ-CG 3.45Å; F427-P433 VanDerWaalsContact CZ-CG 3.45Å | ||
| 428 | P | 65.9 | Low | 61.1 | Low | 44 Ų | 44 | 101.5 Ų | 101.5 | 29% | 0.286 | 54% | 0.536 | S | S | . | . | trans | -69.4 | -15.9 | -177.4 | 22.7 | -31 | 0 | 0 | 0 | 115 | Q337 A426 | Q337-P428 HydrophobicContact CG-CB 4.31Å; Q337-P428 PolarHBondContact NE2-O 3.44Å; A426-P428 VanDerWaalsContact O-CD 3.25Å; A426-P428 WeakPolarHBondContact O-CD 3.31Å | ||
| 429 | D | 57.3 | Low | 59.1 | Low | 91 Ų | 91 | 106 Ų | 106 | 49% | 0.487 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -122.7 | 152.5 | 175.9 | -66.4 | -49 | 0 | 0 | 0 | 108.5 | F427 Q431 | F427-D429 VanDerWaalsContact C-N 3.25Å; F427-D429 PolarHBondContact O-N 3.45Å; D429-Q431 WeakPolarHBondContact O-CA 3.36Å; D429-Q431 PolarHBondContact O-N 3.49Å |
| 430 | N | 50.5 | Low | 57.6 | Low | 175 Ų | 175 | 109 Ų | 109 | 94% | 0.936 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -50 | 9 | -175.5 | -86.5 | 8.8 | 0 | 0 | 0 | 117.8 | R432 | N430-R432 PolarHBondContact O-N 3.48Š|
| 431 | Q | 52 | Low | 56 | Low | 154 Ų | 154 | 113.9 Ų | 113.9 | 72% | 0.72 | 58% | 0.575 | S | S | * | * | trans | -70.2 | 58.5 | 158.7 | -56.8 | -179.2 | 33.8 | 0 | 0 | 110.4 | F427 D429 P433 | F427-Q431 VanDerWaalsContact CD1-O 3.27Å; F427-Q431 WeakPolarHBondContact CD1-O 3.38Å; D429-Q431 WeakPolarHBondContact O-CA 3.36Å; D429-Q431 PolarHBondContact O-N 3.49Å; Q431-P433 WeakPolarHBondContact O-CD 3.43Å | ||
| 432 | R | 48.3 | Very low | 54.3 | Low | 207 Ų | 207 | 123.5 Ų | 123.5 | 78% | 0.781 | 61% | 0.612 | S | S | * | * | trans | -56.3 | 114.3 | 149 | -85.7 | -179.4 | 167.3 | 166.2 | -5.2 | 103.9 | N430 S434 | N430-R432 PolarHBondContact O-N 3.48Å; R432-S434 PolarHBondContact O-N 3.4Å | ||
| 433 | P | 44.7 | Very low | 52.4 | Low | 62 Ų | 62 | 125.5 Ų | 125.5 | 40% | 0.403 | 63% | 0.627 | S | S | . | * | trans | -56.8 | 119.8 | 157.7 | 0.6 | 14.9 | 0 | 0 | 0 | 102.6 | F427 Q431 L435 | F427-P433 HydrophobicContact CD1-CG 4.09Å; F427-P433 HydrophobicContact CE1-CG 3.42Å; F427-P433 VanDerWaalsContact CE1-CG 3.42Å; F427-P433 HydrophobicContact CE2-CG 4.15Å; F427-P433 HydrophobicContact CZ-CG 3.45Å; F427-P433 VanDerWaalsContact CZ-CG 3.45Å; Q431-P433 WeakPolarHBondContact O-CD 3.43Å; P433-L435 HydrophobicContact CB-CD2 4.36Å; P433-L435 HydrophobicContact CB-CG 4.23Å; P433-L435 PolarHBondContact O-N 3.21Å | ||
| 434 | S | 44.4 | Very low | 50.4 | Low | 111 Ų | 111 | 126.2 Ų | 126.2 | 78% | 0.776 | 63% | 0.632 | S | S | * | * | trans | -65.6 | 79.3 | 166.3 | 60.5 | 0 | 0 | 0 | 0 | 105.6 | R432 K436 | R432-S434 PolarHBondContact O-N 3.4Å; S434-K436 PolarHBondContact O-N 3.03Å | ||
| 435 | L | 46.2 | Very low | 49 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 69% | 0.691 | 65% | 0.652 | S | S | * | * | trans | -69.3 | 79.6 | 157.4 | -61.1 | -175.9 | 0 | 0 | 0 | 103.6 | P433 A437 | P433-L435 HydrophobicContact CB-CD2 4.36Å; P433-L435 HydrophobicContact CB-CG 4.23Å; P433-L435 PolarHBondContact O-N 3.21Å; L435-A437 PolarHBondContact O-N 3.23Å | ||
| 436 | K | 37.1 | Very low | 47.4 | Very low | 192 Ų | 192 | 138.2 Ų | 138.2 | 84% | 0.835 | 68% | 0.682 | S | S | * | * | trans | -48.7 | 104.9 | 145.5 | -88.8 | -173.5 | 173 | -178.1 | 0 | 103.8 | S434 E438 | S434-K436 PolarHBondContact O-N 3.03Å; K436-E438 PolarHBondContact O-N 3.03Å | ||
| 437 | A | 45.9 | Very low | 45.9 | Very low | 74 Ų | 74 | 142.4 Ų | 142.4 | 61% | 0.612 | 70% | 0.696 | S | S | * | * | trans | 17.9 | 70.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L435 F439 | L435-A437 PolarHBondContact O-N 3.23Å; A437-F439 PolarHBondContact O-N 3.15Å | ||
| 438 | E | 36.7 | Very low | 44.4 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 78% | 0.78 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 26.1 | 167.4 | -140.8 | -176.5 | -177.9 | 0 | 0 | 110.9 | K436 | K436-E438 PolarHBondContact O-N 3.03Š|
| 439 | F | 37.8 | Very low | 43.6 | Very low | 201 Ų | 201 | 146.6 Ų | 146.6 | 88% | 0.882 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -5.4 | 163.7 | -159.5 | -98.4 | 0 | 0 | 0 | 112.5 | A437 R441 | A437-F439 PolarHBondContact O-N 3.15Å; F439-R441 PolarHBondContact O-N 3.18Å; F439-R441 VanDerWaalsContact O-N 3.09Å |
| 440 | E | 41 | Very low | 43 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 70% | 0.696 | 74% | 0.737 | S | S | * | * | trans | -85 | 70.8 | 161.8 | -72.2 | -174.4 | 168.2 | 0 | 0 | 108.9 | Y442 | E440-Y442 VanDerWaalsContact C-N 3.27Å; E440-Y442 PolarHBondContact O-N 3.3Å | ||
| 441 | R | 36.6 | Very low | 42.7 | Very low | 225 Ų | 225 | 147 Ų | 147 | 85% | 0.849 | 73% | 0.734 | S | S | * | * | trans | -63.4 | 106 | 148.8 | -68.9 | -156.2 | -163.5 | -162.7 | 6.5 | 105.6 | F439 V443 | F439-R441 PolarHBondContact O-N 3.18Å; F439-R441 VanDerWaalsContact O-N 3.09Å; R441-V443 VanDerWaalsContact C-N 3.34Å; R441-V443 PolarHBondContact O-N 3.49Å | ||
| 442 | Y | 40.3 | Very low | 42.6 | Very low | 205 Ų | 205 | 143.6 Ų | 143.6 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | trans | -44.6 | 103.8 | 156.8 | -90.3 | -103.8 | 0 | 0 | 0 | 107.9 | E440 N444 | E440-Y442 VanDerWaalsContact C-N 3.27Å; E440-Y442 PolarHBondContact O-N 3.3Å; Y442-N444 VanDerWaalsContact C-N 3.3Å; Y442-N444 PolarHBondContact O-N 3.5Å; Y442-N444 VanDerWaalsContact O-N 3.15Å | ||
| 443 | V | 37.8 | Very low | 42.7 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 81% | 0.806 | 73% | 0.732 | S | S | * | * | trans | -69.5 | 102.6 | 153.5 | 174.6 | 0 | 0 | 0 | 0 | 103.4 | R441 E445 | R441-V443 VanDerWaalsContact C-N 3.34Å; R441-V443 PolarHBondContact O-N 3.49Å; V443-E445 PolarHBondContact O-N 3.18Å | ||
| 444 | N | 32.1 | Very low | 42.5 | Very low | 105 Ų | 105 | 148.2 Ų | 148.2 | 56% | 0.561 | 76% | 0.758 | S | S | * | * | trans | -58 | 119.4 | 175 | -164.3 | 3.3 | 0 | 0 | 0 | 107.8 | Y442 E446 | Y442-N444 VanDerWaalsContact C-N 3.3Å; Y442-N444 PolarHBondContact O-N 3.5Å; Y442-N444 VanDerWaalsContact O-N 3.15Å; N444-E446 PolarHBondContact O-N 3.21Å; N444-E446 VanDerWaalsContact O-N 3.16Å | ||
| 445 | E | 45.8 | Very low | 42.2 | Very low | 165 Ų | 165 | 150.2 Ų | 150.2 | 77% | 0.771 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -72.4 | -0.1 | -176.8 | 55.4 | -170.6 | 106.8 | 0 | 0 | 113.4 | V443 T448 | V443-E445 PolarHBondContact O-N 3.18Å; E445-T448 PolarHBondContact O-OG1 3.44Å |
| 446 | E | 46.6 | Very low | 42.2 | Very low | 163 Ų | 163 | 152 Ų | 152 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -87 | 1.9 | -179.4 | -62.8 | -172.1 | 124.8 | 0 | 0 | 115.7 | N444 | N444-E446 PolarHBondContact O-N 3.21Å; N444-E446 VanDerWaalsContact O-N 3.16Å |
| 447 | D | 40.8 | Very low | 42 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -110.8 | 24 | 169.6 | -109 | -47.6 | 0 | 0 | 0 | 112.5 | V449 | D447-V449 PolarHBondContact O-N 3.4Å; D447-V449 VanDerWaalsContact O-N 3.09Å |
| 448 | T | 43.8 | Very low | 41.5 | Very low | 112 Ų | 112 | 148.8 Ų | 148.8 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | trans | -73.5 | 97 | 164.2 | 45.4 | 0 | 0 | 0 | 0 | 108.9 | E445 P450 | E445-T448 PolarHBondContact O-OG1 3.44Å; T448-P450 WeakPolarHBondContact O-CD 3.48Å | ||
| 449 | V | 50.2 | Low | 42.3 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 65% | 0.648 | 76% | 0.762 | S | S | * | * | trans | -84 | 106.5 | 163.2 | -164.5 | 0 | 0 | 0 | 0 | 107.6 | D447 L451 | D447-V449 PolarHBondContact O-N 3.4Å; D447-V449 VanDerWaalsContact O-N 3.09Å; V449-L451 VanDerWaalsContact C-N 3.33Å; V449-L451 PolarHBondContact O-N 3.25Å | ||
| 450 | P | 43.9 | Very low | 41.9 | Very low | 106 Ų | 106 | 146.2 Ų | 146.2 | 69% | 0.688 | 76% | 0.76 | S | S | * | * | trans | -74.1 | 90.8 | 169.7 | 30.4 | -32.8 | 0 | 0 | 0 | 108.4 | T448 S452 | T448-P450 WeakPolarHBondContact O-CD 3.48Å; P450-S452 PolarHBondContact O-N 3.06Å | ||
| 451 | L | 45.3 | Very low | 41.7 | Very low | 168 Ų | 168 | 144.9 Ų | 144.9 | 88% | 0.88 | 76% | 0.762 | S | S | * | * | trans | -76.8 | 70.1 | 166.7 | -101.4 | 157.9 | 0 | 0 | 0 | 109.3 | V449 | V449-L451 VanDerWaalsContact C-N 3.33Å; V449-L451 PolarHBondContact O-N 3.25Å | ||
| 452 | S | 49.3 | Very low | 42.7 | Very low | 84 Ų | 84 | 139.6 Ų | 139.6 | 59% | 0.587 | 76% | 0.757 | S | S | * | * | trans | -149 | 51 | 172.8 | 67.3 | 0 | 0 | 0 | 0 | 112.4 | P450 | P450-S452 PolarHBondContact O-N 3.06Š| ||
| 453 | H | 50.5 | Low | 42.3 | Very low | 184 Ų | 184 | 137.6 Ų | 137.6 | 85% | 0.852 | 76% | 0.755 | S | S | * | * | trans | -152.2 | 84.6 | 159.6 | -79 | -67.2 | 0 | 0 | 0 | 110.1 | ||||
| 454 | L | 40.7 | Very low | 42.1 | Very low | 182 Ų | 182 | 139.3 Ų | 139.3 | 95% | 0.953 | 75% | 0.754 | S | S | * | * | trans | -132.2 | 102.3 | 147.1 | -115.8 | 143.5 | 0 | 0 | 0 | 107.3 | ||||
| 455 | D | 38.3 | Very low | 42.2 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -58 | 153.3 | -178.5 | -175.4 | -128.8 | 0 | 0 | 0 | 112.7 | ||||
| 456 | E | 45 | Very low | 42.1 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -75.3 | 130.6 | -174.8 | -170.6 | 151.3 | 116.4 | 0 | 0 | 111.7 | ||||
| 457 | G | 33.8 | Very low | 41.6 | Very low | 78 Ų | 78 | 136.6 Ų | 136.6 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -155.6 | 78.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 458 | V | 34.9 | Very low | 41.3 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -59.1 | 168.7 | 169 | -174.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 459 | P | 53.1 | Low | 40.9 | Very low | 97 Ų | 97 | 139.5 Ų | 139.5 | 63% | 0.63 | 77% | 0.771 | S | S | * | * | cis | -129.9 | 170.5 | -12.4 | 21.1 | 3.1 | 0 | 0 | 0 | 114.9 | ||||
| 460 | Y | 30.1 | Very low | 40.2 | Very low | 217 Ų | 217 | 139.2 Ų | 139.2 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | 169.8 | 150 | 119.8 | -108.8 | -92.7 | 0 | 0 | 0 | 112.5 | |||||
| 461 | T | 37.1 | Very low | 39.7 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | -86.2 | -162.6 | -169.7 | 46 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 462 | P | 56.8 | Low | 39.2 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | -95 | -178 | -110.4 | 33.3 | -11.9 | 0 | 0 | 0 | 112.4 | |||||
| 463 | E | 31.9 | Very low | 39 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | 158.8 | 121.4 | 135.8 | -167.1 | 140.8 | 109.4 | 0 | 0 | 114 | ||||
| 464 | Q | 33.2 | Very low | 38.1 | Very low | 169 Ų | 169 | 143.3 Ų | 143.3 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 53.5 | 125.8 | 146.3 | -77.1 | 161 | -5.1 | 0 | 0 | 123.4 | ||||
| 465 | A | 36.1 | Very low | 37.7 | Very low | 87 Ų | 87 | 139 Ų | 139 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | trans | -51.2 | 165.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 466 | P | 43 | Very low | 37.6 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | -134.3 | 129.6 | 100.8 | 17.9 | 2.4 | 0 | 0 | 0 | 112.3 | |||||
| 467 | Q | 34.9 | Very low | 37.1 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | 58 | 98.9 | 98.8 | -60.2 | -176.9 | 3.7 | 0 | 0 | 114.6 | |||||
| 468 | N | 34.3 | Very low | 37 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | -171.3 | 118.8 | 116.5 | -108.5 | -66.8 | 0 | 0 | 0 | 112.1 | |||||
| 469 | M | 36.3 | Very low | 37 | Very low | 181 Ų | 181 | 144.7 Ų | 144.7 | 89% | 0.892 | 76% | 0.763 | S | S | * | * | trans | 36.2 | 132.2 | 137.9 | -59.1 | -154 | -174 | 0 | 0 | 119.2 | ||||
| 470 | A | 35.8 | Very low | 36.4 | Very low | 100 Ų | 100 | 154.4 Ų | 154.4 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | cis | -160.7 | 158.6 | 15 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 471 | H | 34.1 | Very low | 36.7 | Very low | 169 Ų | 169 | 151.3 Ų | 151.3 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | trans | -79.6 | 145.7 | -179.7 | -97.3 | -71.3 | 0 | 0 | 0 | 113.4 | ||||
| 472 | Q | 34.7 | Very low | 36.7 | Very low | 145 Ų | 145 | 152.8 Ų | 152.8 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | trans | 80.3 | 168.3 | 139.2 | -64.5 | -80.2 | -2.7 | 0 | 0 | 118.2 | ||||
| 473 | P | 44.9 | Very low | 35.6 | Very low | 105 Ų | 105 | 155.1 Ų | 155.1 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | cis | -138.2 | 165.4 | -14.1 | 14.1 | 11.8 | 0 | 0 | 0 | 116.4 | ||||
| 474 | Y | 30.6 | Very low | 35.8 | Very low | 210 Ų | 210 | 154.6 Ų | 154.6 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | 31.5 | 135.7 | 126 | -113.6 | -87.8 | 0 | 0 | 0 | 122.3 | |||||
| 475 | S | 33.4 | Very low | 36 | Very low | 92 Ų | 92 | 153.7 Ų | 153.7 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | 128.1 | 118.5 | 124.7 | -66.2 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 476 | K | 35.7 | Very low | 35.9 | Very low | 204 Ų | 204 | 158.1 Ų | 158.1 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | 58.5 | 115.1 | 113.7 | -146 | 177 | -167.6 | 177 | 0 | 118.6 | |||||
| 477 | G | 33.8 | Very low | 35.4 | Very low | 63 Ų | 63 | 161.1 Ų | 161.1 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | 109.6 | 136.8 | 121.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 478 | Y | 33.2 | Very low | 35.5 | Very low | 213 Ų | 213 | 160.2 Ų | 160.2 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 78.3 | 124.6 | 140.1 | -83.2 | -93.8 | 0 | 0 | 0 | 122.3 | ||||
| 479 | M | 33.9 | Very low | 35.6 | Very low | 160 Ų | 160 | 161.8 Ų | 161.8 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | trans | 58 | 119.4 | 136 | -81.1 | -176.6 | 132.1 | 0 | 0 | 120.4 | ||||
| 480 | Y | 40.7 | Very low | 35.5 | Very low | 300 Ų | 300 | 160.1 Ų | 160.1 | 100% | 1.176 | 80% | 0.797 | S | S | * | * | -144.9 | 0 | 103.7 | -118.4 | -87 | 0 | 0 | 0 | 110.7 |
Retrieved 480 of 480 residues in 132.9 ms
(Link to these results)