| 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 | 38.3 | Very low | 36.2 | Very low | 240 Ų | 240 | 155.3 Ų | 155.3 | 100% | 1.182 | 83% | 0.833 | S | S | * | * | 0 | 94.5 | 0 | -69.6 | 166.3 | 164.7 | 0 | 0 | 106.1 | |||||
| 2 | R | 33 | Very low | 35.4 | Very low | 226 Ų | 226 | 150.7 Ų | 150.7 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | 48.7 | 126.5 | 82.2 | -94.1 | -166.1 | -152 | -110 | 6.3 | 111.1 | |||||
| 3 | R | 37.8 | Very low | 34.9 | Very low | 222 Ų | 222 | 151.2 Ų | 151.2 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | cis | -151.7 | 149.2 | 17.3 | -60 | 179.9 | -168.7 | 178 | 0.5 | 107 | ||||
| 4 | G | 35.4 | Very low | 34.3 | Very low | 68 Ų | 68 | 150.7 Ų | 150.7 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | 99.9 | 149.5 | 60.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 5 | I | 38.2 | Very low | 33.8 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | cis | -173.9 | 148.5 | 17.5 | 39.2 | 172.3 | 0 | 0 | 0 | 105.3 | ||||
| 6 | S | 33.7 | Very low | 33.1 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | 175.3 | 114.9 | 95.1 | -166.7 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 7 | S | 32.6 | Very low | 32.9 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | 79.1 | 135 | 86.7 | -164 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 8 | A | 38.4 | Very low | 32.5 | Very low | 87 Ų | 87 | 138.2 Ų | 138.2 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | cis | -175.3 | 170.8 | -8 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 9 | P | 50.4 | Low | 32.2 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -114.4 | 172.5 | -156.8 | 41.3 | -30.7 | 0 | 0 | 0 | 115.2 | ||||
| 10 | D | 31 | Very low | 32 | Very low | 157 Ų | 157 | 134 Ų | 134 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | 169.3 | 130.9 | 138.3 | -94.9 | -20 | 0 | 0 | 0 | 107.4 | ||||
| 11 | K | 29.6 | Very low | 31.8 | Very low | 205 Ų | 205 | 132.1 Ų | 132.1 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | -161 | 133.5 | 63.8 | -157 | 175.5 | -174.7 | -175.6 | 0 | 110.8 | |||||
| 12 | V | 26.8 | Very low | 31.4 | Very low | 100 Ų | 100 | 127.3 Ų | 127.3 | 61% | 0.606 | 78% | 0.775 | S | S | * | * | trans | -85.6 | 144.7 | 169 | 166.8 | 0 | 0 | 0 | 0 | 109.5 | L14 | V12-L14 HydrophobicContact CG1-CD1 3.7Å; V12-L14 HydrophobicContact CG1-CG 3.93Å | ||
| 13 | I | 28.8 | Very low | 31.2 | Very low | 157 Ų | 157 | 122.3 Ų | 122.3 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | -161.5 | 100.1 | 124 | -58.4 | -158.3 | 0 | 0 | 0 | 104.2 | |||||
| 14 | L | 26.1 | Very low | 30.8 | Very low | 145 Ų | 145 | 117.7 Ų | 117.7 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | 46.3 | 142.2 | 92.5 | -75.1 | 157.2 | 0 | 0 | 0 | 112.9 | V12 | V12-L14 HydrophobicContact CG1-CD1 3.7Å; V12-L14 HydrophobicContact CG1-CG 3.93Å | |||
| 15 | A | 26.5 | Very low | 30.3 | Very low | 86 Ų | 86 | 120.5 Ų | 120.5 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | cis | -168 | 140.1 | -6.3 | 0 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 16 | G | 23.8 | Very low | 29.7 | Very low | 74 Ų | 74 | 120.8 Ų | 120.8 | 76% | 0.763 | 76% | 0.757 | S | S | * | * | 90.1 | 149.5 | 111.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 17 | V | 28.2 | Very low | 29.3 | Very low | 139 Ų | 139 | 121.8 Ų | 121.8 | 84% | 0.842 | 75% | 0.753 | S | S | * | * | cis | -158.4 | 137.2 | 11.9 | 156.2 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 18 | G | 27 | Very low | 28.9 | Very low | 79 Ų | 79 | 123.5 Ų | 123.5 | 81% | 0.814 | 75% | 0.753 | S | S | * | * | trans | -72.5 | 136.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 19 | G | 25.7 | Very low | 28.2 | Very low | 78 Ų | 78 | 124.7 Ų | 124.7 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -146.5 | 110.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 20 | S | 28.5 | Very low | 27.3 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | -78.4 | 157.6 | 171.2 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 21 | S | 28.4 | Very low | 27 | Very low | 94 Ų | 94 | 124 Ų | 124 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | trans | 102.3 | 124.8 | 138.8 | -125.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 22 | L | 30.3 | Very low | 27.1 | Very low | 139 Ų | 139 | 119.3 Ų | 119.3 | 73% | 0.728 | 75% | 0.745 | S | S | * | * | trans | 88.2 | 107 | 144.1 | -66.4 | 156.2 | 0 | 0 | 0 | 118.9 | ||||
| 23 | D | 27.3 | Very low | 27.1 | Very low | 121 Ų | 121 | 120.8 Ų | 120.8 | 65% | 0.647 | 75% | 0.749 | S | S | * | * | 63.8 | 113.6 | 118.9 | -71.3 | -12.9 | 0 | 0 | 0 | 120.3 | |||||
| 24 | N | 29.6 | Very low | 27.2 | Very low | 125 Ų | 125 | 123.9 Ų | 123.9 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | 86.1 | 127.2 | 121.2 | -66.7 | -20.6 | 0 | 0 | 0 | 120.4 | |||||
| 25 | N | 25.5 | Very low | 27.3 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 68% | 0.684 | 76% | 0.758 | S | S | * | * | trans | 76.6 | 118.2 | 149.3 | -61.7 | -33.5 | 0 | 0 | 0 | 117.5 | ||||
| 26 | I | 26.1 | Very low | 27.6 | Very low | 175 Ų | 175 | 128.7 Ų | 128.7 | 90% | 0.897 | 76% | 0.764 | S | S | * | * | -149.8 | 120.4 | 121.1 | -89.7 | 141.1 | 0 | 0 | 0 | 108.5 | |||||
| 27 | I | 25.4 | Very low | 28.2 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 67% | 0.672 | 76% | 0.763 | S | S | * | * | trans | -76 | 164.8 | 170.2 | -69.4 | 170.5 | 0 | 0 | 0 | 108.8 | ||||
| 28 | L | 23.9 | Very low | 28.4 | Very low | 147 Ų | 147 | 127.2 Ų | 127.2 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | 101.8 | 108.2 | 155.5 | -70.3 | 135.6 | 0 | 0 | 0 | 118.4 | ||||
| 29 | T | 23.7 | Very low | 28.5 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 69% | 0.693 | 76% | 0.758 | S | S | * | * | 88.5 | 129.7 | 109.5 | -56.7 | 0 | 0 | 0 | 0 | 118.5 | L31 | T29-L31 PolarHBondContact O-N 3.49Š| |||
| 30 | A | 31 | Very low | 28.8 | Very low | 79 Ų | 79 | 133 Ų | 133 | 65% | 0.653 | 75% | 0.752 | S | S | * | * | trans | -23.7 | 125.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 31 | L | 25 | Very low | 28.9 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 92% | 0.916 | 76% | 0.755 | S | S | * | * | trans | -111.9 | 98.2 | 141.7 | -70.4 | 177.1 | 0 | 0 | 0 | 107.7 | T29 | T29-L31 PolarHBondContact O-N 3.49Š| ||
| 32 | S | 31.8 | Very low | 28.9 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -68.4 | 117.5 | 145.1 | -70.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 33 | D | 26.7 | Very low | 29.1 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | -171.3 | 115.8 | 122.4 | -113.9 | -20.1 | 0 | 0 | 0 | 112.4 | |||||
| 34 | R | 30.5 | Very low | 29.1 | Very low | 222 Ų | 222 | 139 Ų | 139 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | 53.7 | 112.2 | 132.7 | -69.7 | 174.7 | -178 | -110.5 | -3.5 | 119.4 | ||||
| 35 | L | 29.5 | Very low | 29.5 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | -152.5 | 97.3 | 114.6 | -99.4 | 166.2 | 0 | 0 | 0 | 111.3 | |||||
| 36 | N | 31.6 | Very low | 29.5 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | 58.8 | 147.3 | 151.7 | -110.3 | 18 | 0 | 0 | 0 | 123.9 | ||||
| 37 | P | 37.6 | Very low | 29.8 | Very low | 113 Ų | 113 | 137 Ų | 137 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | -108.8 | 166 | -153.7 | 43.4 | -36.3 | 0 | 0 | 0 | 113 | ||||
| 38 | G | 30.7 | Very low | 29.9 | Very low | 68 Ų | 68 | 135.8 Ų | 135.8 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | trans | 120.9 | 70.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 39 | Q | 30.6 | Very low | 30.2 | Very low | 182 Ų | 182 | 132.9 Ų | 132.9 | 85% | 0.85 | 73% | 0.729 | S | S | * | * | trans | -170.9 | 122 | 133.4 | -101.6 | 163.4 | 15.5 | 0 | 0 | 107.5 | N41 | Q39-N41 PolarHBondContact O-N 3.09Å; Q39-N41 VanDerWaalsContact O-N 3.17Å | ||
| 40 | S | 32.2 | Very low | 30.6 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | trans | -52.7 | 115.3 | 166.5 | 45.3 | 0 | 0 | 0 | 0 | 108.8 | T42 | S40-T42 PolarHBondContact O-N 2.95Š| ||
| 41 | N | 29.5 | Very low | 30.7 | Very low | 160 Ų | 160 | 134.6 Ų | 134.6 | 86% | 0.856 | 73% | 0.733 | S | S | * | * | trans | -68.4 | 85.6 | 161.4 | -77.6 | -20.7 | 0 | 0 | 0 | 106.8 | Q39 T43 | Q39-N41 PolarHBondContact O-N 3.09Å; Q39-N41 VanDerWaalsContact O-N 3.17Å; N41-T43 PolarHBondContact O-N 2.92Å; N41-T43 VanDerWaalsContact O-N 3.08Å | ||
| 42 | T | 29.8 | Very low | 31.5 | Very low | 101 Ų | 101 | 131.4 Ų | 131.4 | 62% | 0.62 | 72% | 0.723 | S | S | * | * | trans | -63.5 | 104.6 | 164.7 | 46.1 | 0 | 0 | 0 | 0 | 106.8 | S40 Y44 | S40-T42 PolarHBondContact O-N 2.95Å; T42-Y44 VanDerWaalsContact C-N 3.34Å; T42-Y44 PolarHBondContact O-N 3.28Å | ||
| 43 | T | 33.1 | Very low | 31.6 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 77% | 0.767 | 73% | 0.73 | S | S | * | * | trans | -59.7 | 100 | 166.6 | -53.5 | 0 | 0 | 0 | 0 | 107.6 | N41 I45 | N41-T43 PolarHBondContact O-N 2.92Å; N41-T43 VanDerWaalsContact O-N 3.08Å; T43-I45 HydrophobicContact CG2-CG1 4.11Å; T43-I45 PolarHBondContact O-N 3.17Å | ||
| 44 | Y | 27.3 | Very low | 31.8 | Very low | 208 Ų | 208 | 131.8 Ų | 131.8 | 82% | 0.816 | 73% | 0.732 | S | S | * | * | trans | -79.8 | 97.6 | 176.7 | -126.4 | -88.8 | 0 | 0 | 0 | 107.4 | T42 Q46 | T42-Y44 VanDerWaalsContact C-N 3.34Å; T42-Y44 PolarHBondContact O-N 3.28Å; Y44-Q46 PolarHBondContact O-N 3.34Å | ||
| 45 | I | 37.5 | Very low | 31.9 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 61% | 0.61 | 73% | 0.733 | S | S | * | * | trans | -82.4 | 104.3 | 170.6 | -57.7 | 178.4 | 0 | 0 | 0 | 107 | T43 I47 | T43-I45 HydrophobicContact CG2-CG1 4.11Å; T43-I45 PolarHBondContact O-N 3.17Å; I45-I47 HydrophobicContact CG2-CG1 4.3Å; I45-I47 PolarHBondContact O-N 3.15Å | ||
| 46 | Q | 26 | Very low | 31.9 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | trans | -88.4 | 99.8 | -180 | -164.6 | 177.6 | -12.4 | 0 | 0 | 109.8 | Y44 I48 | Y44-Q46 PolarHBondContact O-N 3.34Å; Q46-I48 HydrophobicContact CG-CD1 4.34Å; Q46-I48 HydrophobicContact CG-CG1 3.85Å; Q46-I48 PolarHBondContact O-N 2.87Å | ||
| 47 | I | 31.9 | Very low | 31.8 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 63% | 0.631 | 72% | 0.717 | S | S | * | * | trans | -84.2 | 99.8 | 171.7 | -56.9 | 175.4 | 0 | 0 | 0 | 107.8 | I45 | I45-I47 HydrophobicContact CG2-CG1 4.3Å; I45-I47 PolarHBondContact O-N 3.15Å | ||
| 48 | I | 28.8 | Very low | 31.4 | Very low | 106 Ų | 106 | 126.7 Ų | 126.7 | 54% | 0.544 | 72% | 0.719 | S | S | . | * | trans | -89 | 107.6 | 176.5 | -53.3 | 177.9 | 0 | 0 | 0 | 108.5 | Q46 T50 | Q46-I48 HydrophobicContact CG-CD1 4.34Å; Q46-I48 HydrophobicContact CG-CG1 3.85Å; Q46-I48 PolarHBondContact O-N 2.87Å; I48-T50 HydrophobicContact CG2-CG2 3.81Å | ||
| 49 | T | 29.2 | Very low | 31.3 | Very low | 86 Ų | 86 | 129 Ų | 129 | 53% | 0.528 | 72% | 0.719 | S | S | . | * | trans | -95.1 | 107 | 164.8 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 50 | T | 33 | Very low | 31.3 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 71% | 0.712 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -91 | 118.9 | 174.6 | 53.1 | 0 | 0 | 0 | 0 | 109.9 | I48 | I48-T50 HydrophobicContact CG2-CG2 3.81Š|
| 51 | P | 33.4 | Very low | 31.2 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 72% | 0.721 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 149.1 | 168.4 | 28.9 | -31.8 | 0 | 0 | 0 | 110.6 | ||
| 52 | P | 40.3 | Very low | 31.1 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 71% | 0.708 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 145.8 | 179.4 | 29.7 | -33.1 | 0 | 0 | 0 | 111 | C54 | P52-C54 PolarHBondContact O-N 2.85Š|
| 53 | P | 35.5 | Very low | 30.9 | Very low | 135 Ų | 135 | 125.8 Ų | 125.8 | 88% | 0.877 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 124.9 | 174.4 | 28.9 | -30.8 | 0 | 0 | 0 | 110.5 | ||
| 54 | C | 29.6 | Very low | 30.7 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | -106 | 149.2 | 171.4 | -76.6 | 0 | 0 | 0 | 0 | 111.6 | P52 | P52-C54 PolarHBondContact O-N 2.85Š| ||
| 55 | N | 33.2 | Very low | 30.7 | Very low | 160 Ų | 160 | 123.9 Ų | 123.9 | 86% | 0.856 | 74% | 0.735 | S | S | * | * | trans | 97.4 | 128.2 | 174.9 | -65.1 | -17.6 | 0 | 0 | 0 | 114.6 | ||||
| 56 | V | 29.8 | Very low | 30.3 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | cis | -153.9 | 142.9 | 34.9 | 174.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 57 | T | 28.5 | Very low | 30.5 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | trans | -17.5 | 157.6 | 152.7 | 31.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 58 | Q | 30.6 | Very low | 30.5 | Very low | 166 Ų | 166 | 129.4 Ų | 129.4 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | cis | -176 | 150.1 | 23.2 | -118.5 | 167.6 | 55.9 | 0 | 0 | 104.9 | ||||
| 59 | T | 28.4 | Very low | 30.7 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | -166.8 | 149.4 | 57.4 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 60 | S | 29.9 | Very low | 30.6 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | 26 | 131.6 | 147.4 | 56 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 61 | S | 30.4 | Very low | 30.5 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | cis | -171.8 | 136.9 | 37.3 | 46.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 62 | V | 26.6 | Very low | 30.3 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | 37.8 | 111.9 | 135.9 | -171 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 63 | C | 26.7 | Very low | 29.8 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | 164.8 | 146.6 | 98.2 | -129.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 64 | L | 27.4 | Very low | 29.5 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -72 | 147.5 | 177.4 | -72.3 | 152.4 | 0 | 0 | 0 | 113 | ||||
| 65 | S | 28.7 | Very low | 29.6 | Very low | 126 Ų | 126 | 142 Ų | 142 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | trans | -168.1 | 138.2 | 145.7 | -67 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 66 | E | 29 | Very low | 29.9 | Very low | 182 Ų | 182 | 140.3 Ų | 140.3 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -52.9 | 163 | 171.5 | -83.1 | 157.4 | 113.4 | 0 | 0 | 115.9 | ||||
| 67 | P | 30.4 | Very low | 29.9 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -87.2 | 121.1 | 169.7 | 33.9 | -26.4 | 0 | 0 | 0 | 110.8 | ||||
| 68 | Q | 30.8 | Very low | 30.2 | Very low | 193 Ų | 193 | 148 Ų | 148 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -108.4 | 131.2 | 155.8 | -76.5 | -133.7 | -34.6 | 0 | 0 | 110.6 | ||||
| 69 | V | 32.4 | Very low | 30.3 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 78% | 0.776 | 83% | 0.827 | S | S | * | * | trans | -42.4 | 128.8 | 167.5 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 70 | N | 29.1 | Very low | 30.4 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 82% | 0.824 | 83% | 0.834 | S | S | * | * | trans | -174.5 | 122.3 | 134.7 | -93.4 | -25.4 | 0 | 0 | 0 | 112.8 | ||||
| 71 | S | 29.5 | Very low | 30.6 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 78% | 0.783 | 84% | 0.84 | S | S | * | * | trans | -68.2 | 129.3 | 164.5 | -60 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 72 | I | 30.4 | Very low | 30.7 | Very low | 157 Ų | 157 | 147.6 Ų | 147.6 | 81% | 0.805 | 85% | 0.85 | S | S | * | * | trans | -144.8 | 111.9 | 149.2 | -54.8 | -177.9 | 0 | 0 | 0 | 109.2 | ||||
| 73 | Y | 29.6 | Very low | 30.9 | Very low | 223 Ų | 223 | 145 Ų | 145 | 88% | 0.875 | 85% | 0.85 | S | S | * | * | trans | -69 | 133.1 | 162.9 | -90.9 | -96.4 | 0 | 0 | 0 | 110 | ||||
| 74 | T | 28.8 | Very low | 31.4 | Very low | 135 Ų | 135 | 146.4 Ų | 146.4 | 83% | 0.828 | 86% | 0.855 | S | S | * | * | trans | -145.2 | 132.4 | 162.7 | -105 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 75 | T | 32.1 | Very low | 31.6 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 78% | 0.779 | 85% | 0.853 | S | S | * | * | trans | -96.8 | 155.3 | -172.7 | -39.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 76 | P | 38.1 | Very low | 31.9 | Very low | 126 Ų | 126 | 145.8 Ų | 145.8 | 82% | 0.818 | 86% | 0.856 | S | S | * | * | trans | -91.1 | 156.5 | -149.8 | 35.7 | -33.2 | 0 | 0 | 0 | 115 | ||||
| 77 | Q | 29.6 | Very low | 32.1 | Very low | 198 Ų | 198 | 147.5 Ų | 147.5 | 93% | 0.925 | 85% | 0.854 | S | S | * | * | trans | -105 | 131.5 | -179.3 | -162.3 | 161.1 | 0 | 0 | 0 | 111.6 | ||||
| 78 | Q | 35.2 | Very low | 32.7 | Very low | 198 Ų | 198 | 147.5 Ų | 147.5 | 93% | 0.925 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 150.3 | -172.7 | -158.3 | 169.4 | 23.4 | 0 | 0 | 112.5 | ||
| 79 | A | 32.3 | Very low | 32.9 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 84% | 0.835 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 156.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 80 | A | 31.9 | Very low | 33.3 | Very low | 104 Ų | 104 | 144.4 Ų | 144.4 | 86% | 0.86 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 143.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 81 | A | 33.8 | Very low | 33.5 | Very low | 105 Ų | 105 | 140.7 Ų | 140.7 | 87% | 0.868 | 85% | 0.847 | S | S | * | * | trans | -148.5 | 145.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 82 | N | 33.4 | Very low | 33.9 | Very low | 178 Ų | 178 | 146.8 Ų | 146.8 | 95% | 0.952 | 85% | 0.853 | S | S | * | * | trans | -70.4 | 157.5 | -166.5 | -68.9 | -36.8 | 0 | 0 | 0 | 116.2 | ||||
| 83 | G | 30.6 | Very low | 34.6 | Very low | 81 Ų | 81 | 144.9 Ų | 144.9 | 84% | 0.835 | 85% | 0.85 | S | S | * | * | trans | 178.2 | 123.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 84 | T | 36.3 | Very low | 35.3 | Very low | 152 Ų | 152 | 140 Ų | 140 | 93% | 0.933 | 85% | 0.846 | S | S | * | * | trans | -75.3 | 148.3 | -173.8 | 47.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 85 | G | 31.6 | Very low | 35.6 | Very low | 81 Ų | 81 | 138.5 Ų | 138.5 | 84% | 0.835 | 85% | 0.847 | S | S | * | * | trans | 166.3 | 146.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 86 | Q | 34.9 | Very low | 36 | Very low | 200 Ų | 200 | 141.7 Ų | 141.7 | 94% | 0.935 | 85% | 0.85 | S | S | * | * | trans | -71.6 | 160.3 | -162.6 | -67 | -178.6 | -32.8 | 0 | 0 | 118.6 | ||||
| 87 | R | 33.7 | Very low | 36.4 | Very low | 218 Ų | 218 | 147.7 Ų | 147.7 | 82% | 0.823 | 86% | 0.856 | S | S | * | * | trans | -62.8 | 164.5 | 167.4 | -128.1 | -162 | 162.5 | 158.7 | -7 | 112.3 | ||||
| 88 | P | 43.2 | Very low | 37.1 | Very low | 127 Ų | 127 | 149.9 Ų | 149.9 | 83% | 0.825 | 86% | 0.856 | S | S | * | * | -139.6 | 178.6 | 50 | 30.3 | -5.7 | 0 | 0 | 0 | 117.7 | |||||
| 89 | A | 35.3 | Very low | 37.3 | Very low | 71 Ų | 71 | 148.3 Ų | 148.3 | 59% | 0.587 | 85% | 0.853 | S | S | * | * | trans | -73.7 | 161.5 | -161.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 90 | L | 39.6 | Very low | 37.8 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 96% | 0.963 | 85% | 0.852 | S | S | * | * | trans | -162.2 | 130.2 | 134.2 | -97.9 | 169 | 0 | 0 | 0 | 109.3 | ||||
| 91 | G | 33.1 | Very low | 38 | Very low | 77 Ų | 77 | 151.3 Ų | 151.3 | 79% | 0.794 | 85% | 0.853 | S | S | * | * | trans | -93.2 | 158.8 | -164.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 92 | R | 39.3 | Very low | 38.3 | Very low | 240 Ų | 240 | 153.3 Ų | 153.3 | 91% | 0.906 | 85% | 0.85 | S | S | * | * | trans | -163.3 | 134 | 146.7 | -152.7 | 172.3 | -153.8 | -167.8 | 5.5 | 110.3 | ||||
| 93 | P | 44.4 | Very low | 38.5 | Very low | 117 Ų | 117 | 151.9 Ų | 151.9 | 76% | 0.76 | 84% | 0.842 | S | S | * | * | trans | -83.1 | 143.5 | -179.8 | 32.1 | -32.4 | 0 | 0 | 0 | 111.9 | ||||
| 94 | P | 43.6 | Very low | 38.9 | Very low | 120 Ų | 120 | 152.8 Ų | 152.8 | 78% | 0.779 | 84% | 0.835 | S | S | * | * | trans | -83.2 | 122.6 | 171.3 | 30.6 | -30.1 | 0 | 0 | 0 | 111.2 | K96 | P94-K96 PolarHBondContact O-N 3.13Š| ||
| 95 | A | 36.7 | Very low | 38.9 | Very low | 103 Ų | 103 | 152.2 Ų | 152.2 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | trans | -75.2 | 111.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 96 | K | 40.1 | Very low | 39.4 | Very low | 195 Ų | 195 | 157 Ų | 157 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | trans | -82.8 | 124 | 165.1 | -68.2 | 179.7 | 176.5 | 179.7 | 0 | 108.8 | P94 | P94-K96 PolarHBondContact O-N 3.13Š| ||
| 97 | R | 45.1 | Very low | 39.4 | Very low | 251 Ų | 251 | 156.5 Ų | 156.5 | 95% | 0.947 | 83% | 0.825 | S | S | * | * | trans | -122.1 | 105.3 | 155.1 | -85.2 | -174.7 | 166.6 | 159.1 | -3.4 | 108.4 | ||||
| 98 | R | 45.4 | Very low | 39.3 | Very low | 244 Ų | 244 | 157.3 Ų | 157.3 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 126.8 | 163.8 | -71.2 | 171.8 | 66.2 | -173.7 | 0.7 | 107.1 | ||
| 99 | L | 39.6 | Very low | 38.7 | Very low | 165 Ų | 165 | 160.8 Ų | 160.8 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 117.2 | 166.5 | -147.5 | 83.4 | 0 | 0 | 0 | 106.5 | ||
| 100 | A | 41.9 | Very low | 38.5 | Very low | 97 Ų | 97 | 162.7 Ų | 162.7 | 80% | 0.802 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 121.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||
| 101 | L | 37.5 | Very low | 38.3 | Very low | 171 Ų | 171 | 162.7 Ų | 162.7 | 90% | 0.895 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 117.1 | 165.7 | -90.2 | 150.6 | 0 | 0 | 0 | 106.6 | ||
| 102 | D | 39.8 | Very low | 38.7 | Very low | 148 Ų | 148 | 164 Ų | 164 | 79% | 0.791 | 83% | 0.833 | S | S | * | * | trans | -112.8 | 123.8 | 167.7 | -154.5 | -97.1 | 0 | 0 | 0 | 107.1 | ||||
| 103 | D | 37.1 | Very low | 38.4 | Very low | 147 Ų | 147 | 157.1 Ų | 157.1 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | trans | -92.2 | 118 | -178.2 | -173 | -102.1 | 0 | 0 | 0 | 107.4 | ||||
| 104 | S | 39.3 | Very low | 38 | Very low | 100 Ų | 100 | 161.3 Ų | 161.3 | 70% | 0.699 | 83% | 0.834 | S | S | * | * | trans | -162.9 | 109.2 | 165.8 | -79.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 105 | D | 36.1 | Very low | 37.8 | Very low | 140 Ų | 140 | 162.1 Ų | 162.1 | 75% | 0.749 | 84% | 0.837 | S | S | * | * | trans | -43.3 | 135.5 | 159.9 | -75.6 | -56.2 | 0 | 0 | 0 | 112.2 | ||||
| 106 | H | 40.9 | Very low | 37.8 | Very low | 183 Ų | 183 | 163.3 Ų | 163.3 | 85% | 0.847 | 84% | 0.836 | S | S | * | * | trans | -170.4 | 108.6 | 141.5 | -80.3 | -41.6 | 0 | 0 | 0 | 112.1 | ||||
| 107 | Q | 35.6 | Very low | 37.8 | Very low | 188 Ų | 188 | 166.1 Ų | 166.1 | 88% | 0.879 | 84% | 0.841 | S | S | * | * | trans | 39.7 | 114.5 | 130.8 | -129.7 | 157.3 | 34.7 | 0 | 0 | 120.4 | ||||
| 108 | Y | 31.8 | Very low | 37.2 | Very low | 236 Ų | 236 | 158 Ų | 158 | 93% | 0.925 | 84% | 0.836 | S | S | * | * | trans | -66.6 | 121.3 | 169 | -90.9 | -100 | 0 | 0 | 0 | 112.7 | ||||
| 109 | Q | 30.3 | Very low | 36.8 | Very low | 199 Ų | 199 | 158.6 Ų | 158.6 | 93% | 0.93 | 84% | 0.838 | S | S | * | * | trans | -141.5 | 138.9 | 148 | -83.1 | -165.5 | -11.6 | 0 | 0 | 111.2 | ||||
| 110 | S | 32.3 | Very low | 36.5 | Very low | 111 Ų | 111 | 154.5 Ų | 154.5 | 78% | 0.776 | 84% | 0.835 | S | S | * | * | trans | -88.4 | 134.6 | -172.7 | 47.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 111 | E | 34.4 | Very low | 36 | Very low | 184 Ų | 184 | 153.4 Ų | 153.4 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | trans | 169.8 | 159.6 | 134.7 | -93.4 | -94 | 121.3 | 0 | 0 | 112.2 | ||||
| 112 | P | 42.6 | Very low | 35.8 | Very low | 104 Ų | 104 | 149.5 Ų | 149.5 | 68% | 0.675 | 84% | 0.835 | S | S | * | * | trans | -106.4 | 143.8 | -150.1 | 38.1 | -31.7 | 0 | 0 | 0 | 114.9 | ||||
| 113 | A | 32.4 | Very low | 35.4 | Very low | 97 Ų | 97 | 146.2 Ų | 146.2 | 80% | 0.802 | 84% | 0.836 | S | S | * | * | trans | -153.3 | 114.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 114 | K | 36.1 | Very low | 35.2 | Very low | 205 Ų | 205 | 143.2 Ų | 143.2 | 89% | 0.891 | 84% | 0.84 | S | S | * | * | trans | 28.3 | 115.6 | 137.6 | -72 | 170.8 | 177.9 | 169.5 | 0 | 119.6 | ||||
| 115 | T | 38.2 | Very low | 34.8 | Very low | 137 Ų | 137 | 142.4 Ų | 142.4 | 84% | 0.84 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 137.6 | 159.4 | 42.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 116 | P | 37.8 | Very low | 34.6 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 83% | 0.831 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 131.4 | 161.4 | 32.4 | -25.3 | 0 | 0 | 0 | 111.3 | ||
| 117 | R | 39.3 | Very low | 34.1 | Very low | 253 Ų | 253 | 135.1 Ų | 135.1 | 96% | 0.955 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -72 | 134.9 | 174.3 | -101.3 | 176.9 | 145.6 | 172.7 | -6.5 | 111 | ||
| 118 | G | 33 | Very low | 33.8 | Very low | 81 Ų | 81 | 129.9 Ų | 129.9 | 84% | 0.835 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -68 | 151.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 119 | R | 37.8 | Very low | 33.9 | Very low | 257 Ų | 257 | 123.4 Ų | 123.4 | 97% | 0.97 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 137.4 | -173.4 | 180 | -179.3 | -179.1 | -166.9 | 1.2 | 111.4 | ||
| 120 | G | 31.7 | Very low | 33.9 | Very low | 78 Ų | 78 | 118.4 Ų | 118.4 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | -158.5 | 138.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 121 | G | 32.3 | Very low | 33.9 | Very low | 74 Ų | 74 | 117.9 Ų | 117.9 | 76% | 0.763 | 84% | 0.842 | S | S | * | * | cis | 174.7 | 155.3 | 3.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 122 | G | 32.9 | Very low | 33.9 | Very low | 89 Ų | 89 | 113.5 Ų | 113.5 | 92% | 0.918 | 84% | 0.837 | S | S | * | * | trans | 80.4 | 135.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 123 | G | 31.9 | Very low | 33.6 | Very low | 80 Ų | 80 | 112.8 Ų | 112.8 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | cis | 141.3 | 117.9 | 12.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 124 | G | 31.8 | Very low | 33.7 | Very low | 83 Ų | 83 | 116.5 Ų | 116.5 | 86% | 0.856 | 85% | 0.846 | S | S | * | * | trans | 87.1 | 114.1 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 125 | G | 31.8 | Very low | 33.7 | Very low | 83 Ų | 83 | 110.4 Ų | 110.4 | 86% | 0.856 | 84% | 0.842 | S | S | * | * | 87.8 | 98.3 | 121.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 126 | G | 31 | Very low | 33.6 | Very low | 86 Ų | 86 | 110.5 Ų | 110.5 | 89% | 0.887 | 84% | 0.842 | S | S | * | * | 69.1 | 115.6 | 119.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 127 | G | 30.5 | Very low | 34 | Very low | 84 Ų | 84 | 115.1 Ų | 115.1 | 87% | 0.866 | 84% | 0.843 | S | S | * | * | trans | 107 | 119.2 | 134.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 128 | G | 30.6 | Very low | 34 | Very low | 78 Ų | 78 | 110.7 Ų | 110.7 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | trans | 87.7 | 100.6 | 130.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 129 | A | 32.6 | Very low | 34.9 | Very low | 101 Ų | 101 | 116.1 Ų | 116.1 | 84% | 0.835 | 84% | 0.838 | S | S | * | * | 56 | 118.9 | 127.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 130 | A | 31.7 | Very low | 35.1 | Very low | 94 Ų | 94 | 110.3 Ų | 110.3 | 78% | 0.777 | 83% | 0.831 | S | S | * | * | 75.2 | 133.4 | 122.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 131 | A | 32.2 | Very low | 35.8 | Very low | 100 Ų | 100 | 111.7 Ų | 111.7 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | trans | 67.9 | 151.3 | 147.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 132 | A | 34 | Very low | 36.8 | Very low | 91 Ų | 91 | 120.2 Ų | 120.2 | 75% | 0.752 | 84% | 0.835 | S | S | * | * | cis | -173.5 | 168.6 | -15.9 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 133 | A | 36.8 | Very low | 37.4 | Very low | 90 Ų | 90 | 122 Ų | 122 | 74% | 0.744 | 83% | 0.828 | S | S | * | * | trans | 82.5 | 113.8 | 150.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 134 | N | 34 | Very low | 38.2 | Very low | 174 Ų | 174 | 124.1 Ų | 124.1 | 93% | 0.93 | 83% | 0.828 | S | S | * | * | 60.5 | 118.2 | 127.2 | -82 | -17.1 | 0 | 0 | 0 | 120.7 | |||||
| 135 | G | 35.4 | Very low | 38.8 | Very low | 78 Ų | 78 | 130.3 Ų | 130.3 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -160.3 | 105 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 136 | T | 36.9 | Very low | 39.8 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -56.2 | 136.7 | -175.9 | 39.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 137 | R | 44.5 | Very low | 41.1 | Very low | 224 Ų | 224 | 132.2 Ų | 132.2 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | 33.3 | 124.1 | 131 | -171.8 | -177.8 | -167.3 | -101.6 | 5.4 | 118 | ||||
| 138 | L | 40.5 | Very low | 42.2 | Very low | 160 Ų | 160 | 134 Ų | 134 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | -161.6 | 120.6 | 132.2 | -95 | 168.4 | 0 | 0 | 0 | 110.2 | ||||
| 139 | K | 51.8 | Low | 43.3 | Very low | 196 Ų | 196 | 139.1 Ų | 139.1 | 85% | 0.852 | 82% | 0.815 | S | S | * | * | trans | -92.9 | 134 | 165.3 | -74.9 | -179.6 | 175.1 | 179 | 0 | 107.8 | ||||
| 140 | T | 42.9 | Very low | 44.5 | Very low | 134 Ų | 134 | 142 Ų | 142 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | 175.1 | 166.6 | 146.1 | 43.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 141 | P | 45 | Very low | 46.3 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | -119.7 | 161.5 | -53.8 | 30.2 | -13.7 | 0 | 0 | 0 | 110.9 | T143 | P141-T143 PolarHBondContact O-N 2.92Š| |||
| 142 | R | 52.8 | Low | 48.2 | Very low | 253 Ų | 253 | 147.7 Ų | 147.7 | 96% | 0.955 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 121.8 | 173.8 | -74.4 | 175.4 | 160.2 | 177.8 | -5.8 | 111 | ||
| 143 | T | 46.1 | Very low | 50.2 | Low | 126 Ų | 126 | 150.9 Ų | 150.9 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -96 | 154.4 | 163.1 | 49 | 0 | 0 | 0 | 0 | 110.5 | P141 | P141-T143 PolarHBondContact O-N 2.92Š|
| 144 | P | 48.8 | Very low | 51.8 | Low | 125 Ų | 125 | 150.3 Ų | 150.3 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 149.1 | -164.3 | 4.6 | 12.3 | 0 | 0 | 0 | 111.8 | S146 | P144-S146 PolarHBondContact O-N 3.48Š|
| 145 | K | 44.8 | Very low | 54.1 | Low | 213 Ų | 213 | 146.7 Ų | 146.7 | 93% | 0.926 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -58 | 126.1 | 175.3 | -65 | -179 | 176.5 | 179.9 | 0 | 110.7 | ||
| 146 | S | 53.3 | Low | 56.7 | Low | 100 Ų | 100 | 144.6 Ų | 144.6 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -69 | 156.8 | 163.8 | 51.8 | 0 | 0 | 0 | 0 | 111 | P144 | P144-S146 PolarHBondContact O-N 3.48Š|
| 147 | P | 56.9 | Low | 59.3 | Low | 110 Ų | 110 | 141.5 Ų | 141.5 | 71% | 0.714 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 154.5 | 179.7 | -13.4 | 27.7 | 0 | 0 | 0 | 111 | E149 | P147-E149 PolarHBondContact O-N 3.21Š|
| 148 | P | 55.1 | Low | 61.6 | Low | 122 Ų | 122 | 133.3 Ų | 133.3 | 79% | 0.792 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 124.3 | -173.9 | 25.2 | -33.3 | 0 | 0 | 0 | 110.4 | K150 | P148-K150 PolarHBondContact O-N 3.08Š|
| 149 | E | 52.1 | Low | 64 | Low | 185 Ų | 185 | 127.3 Ų | 127.3 | 86% | 0.864 | 67% | 0.665 | S | S | * | * | trans | -58.1 | 104.8 | 168.9 | -82.5 | 177.7 | 138.2 | 0 | 0 | 108.2 | P147 T151 | P147-E149 PolarHBondContact O-N 3.21Å; E149-T151 PolarHBondContact O-N 2.83Å | ||
| 150 | K | 59.8 | Low | 66 | Low | 161 Ų | 161 | 118.5 Ų | 118.5 | 70% | 0.7 | 63% | 0.627 | S | S | * | * | trans | -55.4 | 122.4 | 164.7 | -65.4 | -179.5 | 179.8 | -177.9 | 0 | 106.6 | P148 | P148-K150 PolarHBondContact O-N 3.08Š| ||
| 151 | T | 69 | Low | 68.4 | Low | 80 Ų | 80 | 114 Ų | 114 | 49% | 0.491 | 60% | 0.599 | S | S | . | * | trans | -65.6 | 150.1 | -173.1 | 67.8 | 0 | 0 | 0 | 0 | 109.4 | E149 Y153 D154 | E149-T151 PolarHBondContact O-N 2.83Å; T151-Y153 PolarHBondContact O-N 3.41Å; T151-D154 PolarHBondContact N-OD2 3.32Å; T151-D154 WeakPolarHBondContact O-CB 3.48Å; T151-D154 PolarHBondContact O-N 3.26Å; T151-D154 VanDerWaalsContact OG1-CG 3.26Å; T151-D154 PolarHBondContact OG1-OD2 2.97Å | ||
| 152 | R | 71.9 | Confident | 70.6 | Confident | 233 Ų | 233 | 115.4 Ų | 115.4 | 88% | 0.879 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -52.4 | -27.3 | -179.7 | -172.8 | -177.9 | 179.5 | -159.5 | 0.5 | 113 | T155 | R152-T155 PolarHBondContact O-OG1 3.23Š|
| 153 | Y | 75.6 | Confident | 72.5 | Confident | 158 Ų | 158 | 108.3 Ų | 108.3 | 62% | 0.62 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -68.8 | -33.5 | 178.3 | -175.1 | -101.6 | 0 | 0 | 0 | 113.3 | T151 T155 S156 L159 | T151-Y153 PolarHBondContact O-N 3.41Å; Y153-T155 PolarHBondContact O-N 3.28Å; Y153-T155 VanDerWaalsContact O-N 3.11Å; Y153-S156 VanDerWaalsContact O-CB 3.26Å; Y153-S156 WeakPolarHBondContact O-CB 3.42Å; Y153-S156 PolarHBondContact O-N 3.26Å; Y153-S156 PolarHBondContact O-OG 3.07Å; Y153-L159 HydrophobicContact CE1-CD2 4.46Å |
| 154 | D | 71.5 | Confident | 74.7 | Confident | 79 Ų | 79 | 102.3 Ų | 102.3 | 42% | 0.422 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -66.6 | -15.9 | -178 | -60.4 | -43.2 | 0 | 0 | 0 | 113 | T151 | T151-D154 PolarHBondContact N-OD2 3.32Å; T151-D154 WeakPolarHBondContact O-CB 3.48Å; T151-D154 PolarHBondContact O-N 3.26Å; T151-D154 VanDerWaalsContact OG1-CG 3.26Å; T151-D154 PolarHBondContact OG1-OD2 2.97Å |
| 155 | T | 80.8 | Confident | 76.6 | Confident | 98 Ų | 98 | 98.7 Ų | 98.7 | 60% | 0.601 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -113.6 | 10.2 | 177.7 | 59.4 | 0 | 0 | 0 | 0 | 113.1 | R152 Y153 | R152-T155 PolarHBondContact O-OG1 3.23Å; Y153-T155 PolarHBondContact O-N 3.28Å; Y153-T155 VanDerWaalsContact O-N 3.11Å |
| 156 | S | 90.3 | Very high | 78.7 | Confident | 34 Ų | 34 | 91.9 Ų | 91.9 | 24% | 0.238 | 48% | 0.482 | C | S | . | . | trans | -68.9 | 144.9 | -178.8 | 67.5 | 0 | 0 | 0 | 0 | 112 | Y153 G158 L159 L160 | Y153-S156 VanDerWaalsContact O-CB 3.26Å; Y153-S156 WeakPolarHBondContact O-CB 3.42Å; Y153-S156 PolarHBondContact O-N 3.26Å; Y153-S156 PolarHBondContact O-OG 3.07Å; S156-G158 VanDerWaalsContact C-N 3.26Å; S156-G158 PolarHBondContact O-N 2.92Å; S156-L159 PolarHBondContact O-N 2.95Å; S156-L159 WeakPolarHBondContact OG-CB 3.44Å; S156-L159 PolarHBondContact OG-N 3.03Å; S156-L160 WeakPolarHBondContact O-CG 3.25Å; S156-L160 PolarHBondContact O-N 3.18Å; S156-L160 VanDerWaalsContact O-N 3.14Å | ||
| 157 | L | 91.9 | Very high | 80.4 | Confident | 74 Ų | 74 | 88.8 Ų | 88.8 | 39% | 0.387 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.1 | -38.6 | 178.2 | -169.9 | 67 | 0 | 0 | 0 | 111.4 | L159 L160 T161 D194 I195 | L157-L159 PolarHBondContact O-N 3.18Å; L157-L160 CarbonylContact O-C 3.59Å; L157-L160 WeakPolarHBondContact O-CB 3.43Å; L157-L160 PolarHBondContact O-N 3.25Å; L157-T161 PolarHBondContact O-N 3.35Å; L157-T161 PolarHBondContact O-OG1 3.23Å; L157-D194 HydrophobicContact CD1-CB 3.94Å; L157-D194 HydrophobicContact CD2-CB 4.17Å; L157-I195 HydrophobicContact CD1-CD1 4.16Å; L157-I195 HydrophobicContact CD1-CG1 3.63Å; L157-I195 HydrophobicContact CG-CG1 4.32Å |
| 158 | G | 92.4 | Very high | 81.9 | Confident | 52 Ų | 52 | 83.9 Ų | 83.9 | 54% | 0.536 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S156 L160 T161 K162 | S156-G158 VanDerWaalsContact C-N 3.26Å; S156-G158 PolarHBondContact O-N 2.92Å; G158-L160 VanDerWaalsContact C-N 3.33Å; G158-T161 PolarHBondContact O-N 3.21Å; G158-K162 PolarHBondContact O-N 3.19Å |
| 159 | L | 91.7 | Very high | 83.3 | Confident | 34 Ų | 34 | 82 Ų | 82 | 18% | 0.178 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 175.5 | -175.6 | 64 | 0 | 0 | 0 | 111.5 | Y153 S156 L157 K162 K163 | Y153-L159 HydrophobicContact CE1-CD2 4.46Å; S156-L159 PolarHBondContact O-N 2.95Å; S156-L159 WeakPolarHBondContact OG-CB 3.44Å; S156-L159 PolarHBondContact OG-N 3.03Å; L157-L159 PolarHBondContact O-N 3.18Å; L159-K162 PolarHBondContact O-N 3.32Å; L159-K163 WeakPolarHBondContact O-CG 3.26Å; L159-K163 PolarHBondContact O-N 2.95Å; L159-K163 VanDerWaalsContact O-N 3.11Å |
| 160 | L | 94.1 | Very high | 84.7 | Confident | 10 Ų | 10 | 80.5 Ų | 80.5 | 5% | 0.052 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 174.7 | -65.3 | 173.7 | 0 | 0 | 0 | 111.7 | S156 L157 G158 K162 K163 F164 L185 V187 R191 I195 | S156-L160 WeakPolarHBondContact O-CG 3.25Å; S156-L160 PolarHBondContact O-N 3.18Å; S156-L160 VanDerWaalsContact O-N 3.14Å; L157-L160 CarbonylContact O-C 3.59Å; L157-L160 WeakPolarHBondContact O-CB 3.43Å; L157-L160 PolarHBondContact O-N 3.25Å; G158-L160 VanDerWaalsContact C-N 3.33Å; L160-K162 VanDerWaalsContact C-N 3.34Å; L160-K162 PolarHBondContact O-N 2.56Å; L160-K163 PolarHBondContact O-N 3.44Å; L160-F164 WeakPolarHBondContact O-CB 3.48Å; L160-F164 PolarHBondContact O-N 3Å; L160-L185 HydrophobicContact CD2-CB 4.48Å; L160-V187 HydrophobicContact CD1-CG1 3.81Å; L160-V187 HydrophobicContact CD2-CG1 3.43Å; L160-V187 VanDerWaalsContact CD2-CG1 3.43Å; L160-V187 HydrophobicContact CG-CG1 4.27Å; L160-R191 HydrophobicContact CD1-CB 4.29Å; L160-R191 HydrophobicContact CD1-CG 4.45Å; L160-I195 HydrophobicContact CB-CD1 3.89Å |
| 161 | T | 93.5 | Very high | 85.9 | Confident | 39 Ų | 39 | 74.2 Ų | 74.2 | 24% | 0.239 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 174.9 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | L157 G158 F164 V165 I195 | L157-T161 PolarHBondContact O-N 3.35Å; L157-T161 PolarHBondContact O-OG1 3.23Å; G158-T161 PolarHBondContact O-N 3.21Å; T161-F164 PolarHBondContact O-N 3.35Å; T161-V165 HydrophobicContact CG2-CG2 4.37Å; T161-V165 WeakPolarHBondContact O-CB 3.44Å; T161-V165 VanDerWaalsContact O-CG2 3.28Å; T161-V165 WeakPolarHBondContact O-CG2 3.49Å; T161-V165 PolarHBondContact O-N 3.46Å; T161-I195 HydrophobicContact CG2-CG2 4.15Å |
| 162 | K | 91.3 | Very high | 85.8 | Confident | 138 Ų | 138 | 76.8 Ų | 76.8 | 60% | 0.6 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -58.4 | -53.4 | 176.9 | -174.3 | 177 | 177.7 | 177.7 | 0 | 111.4 | G158 L159 L160 F164 V165 D166 | G158-K162 PolarHBondContact O-N 3.19Å; L159-K162 PolarHBondContact O-N 3.32Å; L160-K162 VanDerWaalsContact C-N 3.34Å; L160-K162 PolarHBondContact O-N 2.56Å; K162-F164 VanDerWaalsContact C-N 3.29Å; K162-F164 PolarHBondContact O-N 3.47Å; K162-V165 PolarHBondContact O-N 3.17Å; K162-D166 PolarHBondContact O-N 3.02Å |
| 163 | K | 91.3 | Very high | 85.9 | Confident | 104 Ų | 104 | 70.5 Ų | 70.5 | 45% | 0.452 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.1 | -33.7 | 178.7 | -65.2 | -178 | 175.9 | -176.3 | 0 | 112.9 | L159 L160 D166 L167 L185 | L159-K163 WeakPolarHBondContact O-CG 3.26Å; L159-K163 PolarHBondContact O-N 2.95Å; L159-K163 VanDerWaalsContact O-N 3.11Å; L160-K163 PolarHBondContact O-N 3.44Å; K163-D166 PolarHBondContact O-N 3.02Å; K163-L167 WeakPolarHBondContact O-CG 3.47Å; K163-L167 PolarHBondContact O-N 3.33Å; K163-L185 HydrophobicContact CB-CD2 3.3Å; K163-L185 HydrophobicContact CD-CD2 4Å; K163-L185 HydrophobicContact CG-CD2 4.31Å |
| 164 | F | 91.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 175.9 | -178.5 | -92.5 | 0 | 0 | 0 | 111.7 | L160 T161 K162 D166 L167 L168 L176 L178 A181 L185 L192 I195 T196 L199 I213 | L160-F164 WeakPolarHBondContact O-CB 3.48Å; L160-F164 PolarHBondContact O-N 3Å; T161-F164 PolarHBondContact O-N 3.35Å; K162-F164 VanDerWaalsContact C-N 3.29Å; K162-F164 PolarHBondContact O-N 3.47Å; F164-D166 VanDerWaalsContact C-N 3.35Å; F164-L167 PolarHBondContact O-N 3.07Å; F164-L168 WeakPolarHBondContact O-CB 3.22Å; F164-L168 PolarHBondContact O-N 3.32Å; F164-L176 HydrophobicContact CD1-CD2 4.45Å; F164-L176 HydrophobicContact CD2-CD2 3.84Å; F164-L176 HydrophobicContact CE1-CD2 4.12Å; F164-L176 HydrophobicContact CE2-CD2 3.46Å; F164-L176 VanDerWaalsContact CE2-CD2 3.46Å; F164-L176 HydrophobicContact CG-CD2 4.34Å; F164-L176 HydrophobicContact CZ-CD2 3.65Å; F164-L178 HydrophobicContact CE2-CD2 4.17Å; F164-L178 HydrophobicContact CZ-CD2 4.28Å; F164-A181 HydrophobicContact CD2-CB 4.34Å; F164-A181 HydrophobicContact CE2-CB 4.27Å; F164-L185 HydrophobicContact CB-CD1 4.01Å; F164-L185 HydrophobicContact CD2-CD1 4.16Å; F164-L192 HydrophobicContact CD2-CD2 3.69Å; F164-L192 HydrophobicContact CE2-CD2 3.8Å; F164-I195 HydrophobicContact CB-CD1 4.31Å; F164-I195 HydrophobicContact CD1-CG2 3.74Å; F164-I195 HydrophobicContact CE1-CG2 4.07Å; F164-I195 HydrophobicContact CG-CG2 4.15Å; F164-T196 HydrophobicContact CE1-CG2 4.48Å; F164-T196 HydrophobicContact CZ-CG2 3.86Å; F164-L199 HydrophobicContact CD1-CD1 4.29Å; F164-L199 HydrophobicContact CE1-CD1 4.12Å; F164-I213 HydrophobicContact CE1-CD1 3.73Å; F164-I213 HydrophobicContact CZ-CD1 3.41Å; F164-I213 VanDerWaalsContact CZ-CD1 3.41Å; F164-I213 HydrophobicContact CZ-CG1 4.39Å |
| 165 | V | 89.8 | Confident | 86.9 | Confident | 48 Ų | 48 | 61.5 Ų | 61.5 | 29% | 0.291 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 174 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | T161 K162 L167 L168 A169 | T161-V165 HydrophobicContact CG2-CG2 4.37Å; T161-V165 WeakPolarHBondContact O-CB 3.44Å; T161-V165 VanDerWaalsContact O-CG2 3.28Å; T161-V165 WeakPolarHBondContact O-CG2 3.49Å; T161-V165 PolarHBondContact O-N 3.46Å; K162-V165 PolarHBondContact O-N 3.17Å; V165-L167 VanDerWaalsContact C-N 3.33Å; V165-L167 PolarHBondContact O-N 3.41Å; V165-L168 PolarHBondContact O-N 3.37Å; V165-A169 WeakPolarHBondContact O-CB 3.26Å; V165-A169 PolarHBondContact O-N 3.02Å |
| 166 | D | 88.5 | Confident | 87.4 | Confident | 70 Ų | 70 | 57.2 Ų | 57.2 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 175.6 | -63.9 | -27.9 | 0 | 0 | 0 | 111.8 | K162 K163 F164 A169 Q170 | K162-D166 PolarHBondContact O-N 3.02Å; K163-D166 PolarHBondContact O-N 3.02Å; F164-D166 VanDerWaalsContact C-N 3.35Å; D166-A169 PolarHBondContact O-N 2.74Å; D166-Q170 VanDerWaalsContact O-CG 3.25Å; D166-Q170 WeakPolarHBondContact O-CG 3.34Å; D166-Q170 PolarHBondContact O-N 2.79Å; D166-Q170 VanDerWaalsContact O-N 3.08Å; D166-Q170 PolarHBondContact O-NE2 2.78Å; D166-Q170 VanDerWaalsContact O-NE2 3.14Å |
| 167 | L | 89.4 | Confident | 87.4 | Confident | 36 Ų | 36 | 58.1 Ų | 58.1 | 19% | 0.188 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.9 | -37.9 | 174.7 | -70.4 | 174.5 | 0 | 0 | 0 | 112.4 | K163 F164 V165 Q170 S171 L176 T184 L185 | K163-L167 WeakPolarHBondContact O-CG 3.47Å; K163-L167 PolarHBondContact O-N 3.33Å; F164-L167 PolarHBondContact O-N 3.07Å; V165-L167 VanDerWaalsContact C-N 3.33Å; V165-L167 PolarHBondContact O-N 3.41Å; L167-Q170 PolarHBondContact O-N 3.32Å; L167-S171 PolarHBondContact O-N 3.15Å; L167-L176 HydrophobicContact CB-CD1 3.96Å; L167-L176 HydrophobicContact CB-CD2 4.49Å; L167-T184 HydrophobicContact CD1-CG2 3.88Å; L167-T184 HydrophobicContact CD2-CG2 3.84Å; L167-T184 HydrophobicContact CG-CG2 4.47Å; L167-L185 HydrophobicContact CD1-CD1 4.38Å; L167-L185 HydrophobicContact CD1-CD2 3.93Å; L167-L185 HydrophobicContact CD1-CG 3.93Å |
| 168 | L | 87.9 | Confident | 87.4 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.4 | -39.2 | 176.6 | -171.4 | 58.9 | 0 | 0 | 0 | 111.3 | F164 V165 Q170 S171 L176 I205 I213 W215 | F164-L168 WeakPolarHBondContact O-CB 3.22Å; F164-L168 PolarHBondContact O-N 3.32Å; V165-L168 PolarHBondContact O-N 3.37Å; L168-Q170 VanDerWaalsContact C-N 3.33Å; L168-Q170 PolarHBondContact O-N 3.1Å; L168-S171 PolarHBondContact O-N 3.42Å; L168-S171 PolarHBondContact O-OG 3.47Å; L168-L176 HydrophobicContact CB-CD2 4.25Å; L168-L176 HydrophobicContact CD1-CB 3.5Å; L168-L176 VanDerWaalsContact CD1-CB 3.5Å; L168-L176 HydrophobicContact CD1-CD2 4.46Å; L168-I205 HydrophobicContact CD2-CG2 4.05Å; L168-I213 HydrophobicContact CD1-CD1 4.5Å; L168-I213 HydrophobicContact CD2-CD1 4.41Å; L168-W215 HydrophobicContact CD1-CB 4.13Å; L168-W215 HydrophobicContact CD2-CB 4.01Å; L168-W215 HydrophobicContact CD2-CD2 3.96Å; L168-W215 HydrophobicContact CD2-CE3 3.28Å; L168-W215 HydrophobicContact CD2-CG 4.29Å; L168-W215 HydrophobicContact CD2-CZ3 4.04Å; L168-W215 HydrophobicContact CG-CB 4.02Å; L168-W215 HydrophobicContact CG-CE3 4.25Å; L168-W215 HydrophobicContact CG-CG 4.47Å |
| 169 | A | 83.8 | Confident | 87.4 | Confident | 84 Ų | 84 | 55.5 Ų | 55.5 | 69% | 0.694 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -68 | -30.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V165 D166 S171 | V165-A169 WeakPolarHBondContact O-CB 3.26Å; V165-A169 PolarHBondContact O-N 3.02Å; D166-A169 PolarHBondContact O-N 2.74Å; A169-S171 VanDerWaalsContact C-N 3.32Å |
| 170 | Q | 82.8 | Confident | 87.3 | Confident | 152 Ų | 152 | 58.6 Ų | 58.6 | 71% | 0.71 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -78.9 | -14 | 175.6 | -72.3 | 166.3 | 49.5 | 0 | 0 | 113.2 | D166 L167 L168 | D166-Q170 VanDerWaalsContact O-CG 3.25Å; D166-Q170 WeakPolarHBondContact O-CG 3.34Å; D166-Q170 PolarHBondContact O-N 2.79Å; D166-Q170 VanDerWaalsContact O-N 3.08Å; D166-Q170 PolarHBondContact O-NE2 2.78Å; D166-Q170 VanDerWaalsContact O-NE2 3.14Å; L167-Q170 PolarHBondContact O-N 3.32Å; L168-Q170 VanDerWaalsContact C-N 3.33Å; L168-Q170 PolarHBondContact O-N 3.1Å |
| 171 | S | 83.7 | Confident | 87.2 | Confident | 29 Ų | 29 | 58.1 Ų | 58.1 | 20% | 0.203 | 33% | 0.327 | C | S | . | . | trans | -78.9 | 123.8 | 179.2 | 72.2 | 0 | 0 | 0 | 0 | 111.3 | L167 L168 A169 D173 G174 V175 | L167-S171 PolarHBondContact O-N 3.15Å; L168-S171 PolarHBondContact O-N 3.42Å; L168-S171 PolarHBondContact O-OG 3.47Å; A169-S171 VanDerWaalsContact C-N 3.32Å; S171-D173 VanDerWaalsContact C-N 3.33Å; S171-D173 PolarHBondContact O-N 2.93Å; S171-G174 PolarHBondContact O-N 3.24Å; S171-V175 WeakPolarHBondContact CB-O 3.47Å; S171-V175 PolarHBondContact OG-N 3.37Å; S171-V175 PolarHBondContact OG-O 3.13Å | ||
| 172 | S | 67.2 | Low | 87.1 | Confident | 134 Ų | 134 | 57 Ų | 57 | 94% | 0.937 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -20.9 | -171.2 | 57.8 | 0 | 0 | 0 | 0 | 115.1 | ||
| 173 | D | 74.1 | Confident | 87.2 | Confident | 102 Ų | 102 | 57.6 Ų | 57.6 | 55% | 0.545 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 4.2 | 176.1 | -169.6 | 37.4 | 0 | 0 | 0 | 111.8 | S171 V175 K208 | S171-D173 VanDerWaalsContact C-N 3.33Å; S171-D173 PolarHBondContact O-N 2.93Å; D173-V175 HydrophobicContact CB-CB 4.39Å; D173-V175 HydrophobicContact CB-CG2 4.33Å; D173-V175 PolarHBondContact O-N 3.49Å; D173-V175 VanDerWaalsContact O-N 3.15Å; D173-V175 WeakPolarHBondContact OD2-CG2 3.49Å; D173-K208 IonicContact OD2-NZ 2.57Å; D173-K208 PolarHBondContact OD2-NZ 3.03Å |
| 174 | G | 80.6 | Confident | 87.1 | Confident | 21 Ų | 21 | 56.3 Ų | 56.3 | 22% | 0.216 | 33% | 0.328 | C | S | . | . | S | Bend | trans | 60.6 | 20.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S171 Q214 W215 | S171-G174 PolarHBondContact O-N 3.24Å; G174-Q214 CarbonylContact O-C 3.55Å; G174-Q214 WeakPolarHBondContact O-CA 3.47Å; G174-W215 PolarHBondContact O-N 3.32Å |
| 175 | V | 87.4 | Confident | 87 | Confident | 26 Ų | 26 | 57.3 Ų | 57.3 | 16% | 0.158 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 124.8 | -179.1 | 177.6 | 0 | 0 | 0 | 0 | 109.7 | S171 D173 K208 N212 I213 Q214 | S171-V175 WeakPolarHBondContact CB-O 3.47Å; S171-V175 PolarHBondContact OG-N 3.37Å; S171-V175 PolarHBondContact OG-O 3.13Å; D173-V175 HydrophobicContact CB-CB 4.39Å; D173-V175 HydrophobicContact CB-CG2 4.33Å; D173-V175 PolarHBondContact O-N 3.49Å; D173-V175 VanDerWaalsContact O-N 3.15Å; D173-V175 WeakPolarHBondContact OD2-CG2 3.49Å; V175-K208 HydrophobicContact CG1-CD 4.17Å; V175-K208 HydrophobicContact CG2-CD 3.62Å; V175-N212 HydrophobicContact CG1-CB 3.76Å; V175-I213 CarbonylContact C-O 3.53Å; V175-I213 VanDerWaalsContact CA-O 3.25Å; V175-I213 WeakPolarHBondContact CA-O 3.34Å; V175-Q214 HydrophobicContact CG2-CB 4.11Å; V175-Q214 HydrophobicContact CG2-CG 3.99Å |
| 176 | L | 91 | Very high | 87 | Confident | 8 Ų | 8 | 62.9 Ų | 62.9 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126.2 | 179.2 | -177.2 | 69.6 | 0 | 0 | 0 | 111 | F164 L167 L168 A181 N212 I213 | F164-L176 HydrophobicContact CD1-CD2 4.45Å; F164-L176 HydrophobicContact CD2-CD2 3.84Å; F164-L176 HydrophobicContact CE1-CD2 4.12Å; F164-L176 HydrophobicContact CE2-CD2 3.46Å; F164-L176 VanDerWaalsContact CE2-CD2 3.46Å; F164-L176 HydrophobicContact CG-CD2 4.34Å; F164-L176 HydrophobicContact CZ-CD2 3.65Å; L167-L176 HydrophobicContact CB-CD1 3.96Å; L167-L176 HydrophobicContact CB-CD2 4.49Å; L168-L176 HydrophobicContact CB-CD2 4.25Å; L168-L176 HydrophobicContact CD1-CB 3.5Å; L168-L176 VanDerWaalsContact CD1-CB 3.5Å; L168-L176 HydrophobicContact CD1-CD2 4.46Å; L176-A181 HydrophobicContact CD1-CB 4.42Å; L176-A181 HydrophobicContact CD2-CB 4.15Å; L176-A181 HydrophobicContact CG-CB 4.28Å; L176-N212 WeakPolarHBondContact O-CA 3.39Å; L176-I213 HydrophobicContact CB-CD1 4.35Å; L176-I213 HydrophobicContact CB-CG1 4.03Å; L176-I213 HydrophobicContact CD2-CD1 4.45Å; L176-I213 PolarHBondContact N-O 3.5Å; L176-I213 WeakPolarHBondContact O-CG1 3.5Å; L176-I213 PolarHBondContact O-N 3.27Å |
| 177 | D | 91.6 | Very high | 87 | Confident | 54 Ų | 54 | 61.1 Ų | 61.1 | 29% | 0.289 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 121.5 | 169.7 | -173.2 | -12.7 | 0 | 0 | 0 | 110.1 | N179 L180 A181 N211 | D177-N179 PolarHBondContact O-N 3.3Å; D177-N179 WeakPolarHBondContact OD1-CB 3.39Å; D177-N179 PolarHBondContact OD1-N 3.46Å; D177-N179 PolarHBondContact OD1-ND2 3.11Å; D177-N179 VanDerWaalsContact OD1-ND2 3.09Å; D177-L180 HydrophobicContact CB-CB 4.11Å; D177-L180 PolarHBondContact O-N 3.11Å; D177-A181 WeakPolarHBondContact O-CB 3.49Å; D177-A181 PolarHBondContact O-N 3.24Å; D177-N211 CarbonylContact C-O 3.52Å; D177-N211 WeakPolarHBondContact CA-O 2.82Å |
| 178 | L | 91.9 | Very high | 87.1 | Confident | 12 Ų | 12 | 66.8 Ų | 66.8 | 6% | 0.063 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.7 | -24.7 | 178.7 | -62.9 | 178.6 | 0 | 0 | 0 | 113 | F164 A182 L192 Y193 T196 N211 I213 | F164-L178 HydrophobicContact CE2-CD2 4.17Å; F164-L178 HydrophobicContact CZ-CD2 4.28Å; L178-A182 WeakPolarHBondContact O-CB 3.4Å; L178-A182 PolarHBondContact O-N 3.29Å; L178-A182 VanDerWaalsContact O-N 3.09Å; L178-L192 HydrophobicContact CB-CD1 4.35Å; L178-L192 HydrophobicContact CD2-CD1 4.47Å; L178-L192 WeakPolarHBondContact O-CD1 3.43Å; L178-Y193 HydrophobicContact CD1-CE1 4.42Å; L178-T196 HydrophobicContact CD2-CG2 4.1Å; L178-N211 WeakPolarHBondContact CG-O 3.5Å; L178-N211 PolarHBondContact N-O 3.31Å; L178-I213 HydrophobicContact CD1-CG2 4.33Å; L178-I213 HydrophobicContact CD2-CG1 4.2Å; L178-I213 HydrophobicContact CD2-CG2 4.23Å; L178-I213 HydrophobicContact CG-CG2 4.42Å |
| 179 | N | 91.3 | Very high | 87.2 | Confident | 58 Ų | 58 | 70.1 Ų | 70.1 | 31% | 0.31 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.6 | -49.3 | 173.6 | -60.9 | -56.8 | 0 | 0 | 0 | 110.9 | D177 A181 A182 E183 K189 N211 | D177-N179 PolarHBondContact O-N 3.3Å; D177-N179 WeakPolarHBondContact OD1-CB 3.39Å; D177-N179 PolarHBondContact OD1-N 3.46Å; D177-N179 PolarHBondContact OD1-ND2 3.11Å; D177-N179 VanDerWaalsContact OD1-ND2 3.09Å; N179-A181 VanDerWaalsContact C-N 3.29Å; N179-A181 PolarHBondContact O-N 2.67Å; N179-A182 WeakPolarHBondContact O-CB 3.43Å; N179-A182 PolarHBondContact O-N 3.41Å; N179-A182 VanDerWaalsContact O-N 3.16Å; N179-E183 PolarHBondContact O-N 3.16Å; N179-E183 VanDerWaalsContact O-N 3.11Å; N179-K189 WeakPolarHBondContact OD1-CE 3.29Å; N179-K189 PolarHBondContact OD1-NZ 2.96Å; N179-N211 VanDerWaalsContact ND2-CG 3.32Å; N179-N211 PolarHBondContact ND2-ND2 2.87Å; N179-N211 VanDerWaalsContact ND2-ND2 3.16Å |
| 180 | L | 89.5 | Confident | 87.7 | Confident | 100 Ų | 100 | 72.2 Ų | 72.2 | 52% | 0.524 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 177.4 | -178.9 | 63.9 | 0 | 0 | 0 | 111 | D177 A182 E183 T184 | D177-L180 HydrophobicContact CB-CB 4.11Å; D177-L180 PolarHBondContact O-N 3.11Å; L180-A182 PolarHBondContact O-N 2.95Å; L180-E183 PolarHBondContact O-N 3.38Å; L180-T184 VanDerWaalsContact O-CB 3.32Å; L180-T184 WeakPolarHBondContact O-CB 2.92Å; L180-T184 PolarHBondContact O-N 3.29Å; L180-T184 PolarHBondContact O-OG1 2.91Å |
| 181 | A | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F164 L176 D177 N179 T184 L185 L192 | F164-A181 HydrophobicContact CD2-CB 4.34Å; F164-A181 HydrophobicContact CE2-CB 4.27Å; L176-A181 HydrophobicContact CD1-CB 4.42Å; L176-A181 HydrophobicContact CD2-CB 4.15Å; L176-A181 HydrophobicContact CG-CB 4.28Å; D177-A181 WeakPolarHBondContact O-CB 3.49Å; D177-A181 PolarHBondContact O-N 3.24Å; N179-A181 VanDerWaalsContact C-N 3.29Å; N179-A181 PolarHBondContact O-N 2.67Å; A181-T184 PolarHBondContact O-N 2.83Å; A181-L185 VanDerWaalsContact O-CB 3.25Å; A181-L185 WeakPolarHBondContact O-CB 3.43Å; A181-L185 VanDerWaalsContact O-CG 3.28Å; A181-L185 WeakPolarHBondContact O-CG 3.45Å; A181-L185 PolarHBondContact O-N 3.1Å; A181-L192 HydrophobicContact CB-CD1 4.27Å; A181-L192 HydrophobicContact CB-CD2 4.36Å |
| 182 | A | 92.9 | Very high | 88.7 | Confident | 16 Ų | 16 | 68.8 Ų | 68.8 | 13% | 0.132 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | L178 N179 L180 Q186 V187 K189 L192 | L178-A182 WeakPolarHBondContact O-CB 3.4Å; L178-A182 PolarHBondContact O-N 3.29Å; L178-A182 VanDerWaalsContact O-N 3.09Å; N179-A182 WeakPolarHBondContact O-CB 3.43Å; N179-A182 PolarHBondContact O-N 3.41Å; N179-A182 VanDerWaalsContact O-N 3.16Å; L180-A182 PolarHBondContact O-N 2.95Å; A182-Q186 WeakPolarHBondContact O-CA 3.34Å; A182-Q186 PolarHBondContact O-N 2.86Å; A182-Q186 VanDerWaalsContact O-N 3.13Å; A182-V187 PolarHBondContact O-N 3.39Å; A182-V187 VanDerWaalsContact O-N 3.1Å; A182-K189 HydrophobicContact CB-CG 4.36Å; A182-L192 HydrophobicContact CB-CD1 3.82Å |
| 183 | E | 92.6 | Very high | 90 | Very high | 150 Ų | 150 | 67 Ų | 67 | 70% | 0.701 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -68.5 | -47.5 | 176.4 | -173.5 | 171 | -170 | 0 | 0 | 111.5 | N179 L180 L185 Q186 | N179-E183 PolarHBondContact O-N 3.16Å; N179-E183 VanDerWaalsContact O-N 3.11Å; L180-E183 PolarHBondContact O-N 3.38Å; E183-L185 PolarHBondContact O-N 2.95Å; E183-Q186 WeakPolarHBondContact O-CG 3.35Å; E183-Q186 PolarHBondContact O-N 3.32Å; E183-Q186 VanDerWaalsContact O-N 3.15Å |
| 184 | T | 90.3 | Very high | 91 | Very high | 77 Ų | 77 | 63.8 Ų | 63.8 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67 | -40.5 | -176.5 | -54.2 | 0 | 0 | 0 | 0 | 112.6 | L167 L180 A181 Q186 | L167-T184 HydrophobicContact CD1-CG2 3.88Å; L167-T184 HydrophobicContact CD2-CG2 3.84Å; L167-T184 HydrophobicContact CG-CG2 4.47Å; L180-T184 VanDerWaalsContact O-CB 3.32Å; L180-T184 WeakPolarHBondContact O-CB 2.92Å; L180-T184 PolarHBondContact O-N 3.29Å; L180-T184 PolarHBondContact O-OG1 2.91Å; A181-T184 PolarHBondContact O-N 2.83Å; T184-Q186 VanDerWaalsContact C-N 3.28Å |
| 185 | L | 88.8 | Confident | 91.6 | Very high | 21 Ų | 21 | 63 Ų | 63 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -7.8 | 177.6 | -60.4 | 179.2 | 0 | 0 | 0 | 112.5 | L160 K163 F164 L167 A181 E183 V187 L192 | L160-L185 HydrophobicContact CD2-CB 4.48Å; K163-L185 HydrophobicContact CB-CD2 3.3Å; K163-L185 HydrophobicContact CD-CD2 4Å; K163-L185 HydrophobicContact CG-CD2 4.31Å; F164-L185 HydrophobicContact CB-CD1 4.01Å; F164-L185 HydrophobicContact CD2-CD1 4.16Å; L167-L185 HydrophobicContact CD1-CD1 4.38Å; L167-L185 HydrophobicContact CD1-CD2 3.93Å; L167-L185 HydrophobicContact CD1-CG 3.93Å; A181-L185 VanDerWaalsContact O-CB 3.25Å; A181-L185 WeakPolarHBondContact O-CB 3.43Å; A181-L185 VanDerWaalsContact O-CG 3.28Å; A181-L185 WeakPolarHBondContact O-CG 3.45Å; A181-L185 PolarHBondContact O-N 3.1Å; E183-L185 PolarHBondContact O-N 2.95Å; L185-V187 VanDerWaalsContact C-N 3.27Å; L185-V187 HydrophobicContact CB-CG1 4.49Å; L185-V187 HydrophobicContact CB-CG2 3.79Å; L185-V187 WeakPolarHBondContact O-CG1 3.38Å; L185-V187 PolarHBondContact O-N 2.8Å; L185-L192 HydrophobicContact CD1-CD2 4.12Å |
| 186 | Q | 88.7 | Confident | 91.9 | Very high | 165 Ų | 165 | 62.1 Ų | 62.1 | 77% | 0.771 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 45.6 | -172.5 | -62.6 | -168.6 | 0.3 | 0 | 0 | 113 | A182 E183 T184 | A182-Q186 WeakPolarHBondContact O-CA 3.34Å; A182-Q186 PolarHBondContact O-N 2.86Å; A182-Q186 VanDerWaalsContact O-N 3.13Å; E183-Q186 WeakPolarHBondContact O-CG 3.35Å; E183-Q186 PolarHBondContact O-N 3.32Å; E183-Q186 VanDerWaalsContact O-N 3.15Å; T184-Q186 VanDerWaalsContact C-N 3.28Å |
| 187 | V | 89.6 | Confident | 92.1 | Very high | 32 Ų | 32 | 66.3 Ų | 66.3 | 19% | 0.194 | 32% | 0.317 | C | S | . | . | trans | -127.7 | 155.1 | -179.2 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | L160 A182 L185 L192 | L160-V187 HydrophobicContact CD1-CG1 3.81Å; L160-V187 HydrophobicContact CD2-CG1 3.43Å; L160-V187 VanDerWaalsContact CD2-CG1 3.43Å; L160-V187 HydrophobicContact CG-CG1 4.27Å; A182-V187 PolarHBondContact O-N 3.39Å; A182-V187 VanDerWaalsContact O-N 3.1Å; L185-V187 VanDerWaalsContact C-N 3.27Å; L185-V187 HydrophobicContact CB-CG1 4.49Å; L185-V187 HydrophobicContact CB-CG2 3.79Å; L185-V187 WeakPolarHBondContact O-CG1 3.38Å; L185-V187 PolarHBondContact O-N 2.8Å; V187-L192 HydrophobicContact CG2-CD2 4.31Å | ||
| 188 | Q | 91.1 | Very high | 92.3 | Very high | 156 Ų | 156 | 68.2 Ų | 68.2 | 73% | 0.729 | 33% | 0.331 | S | S | * | . | trans | -68.9 | 145.3 | 175.6 | -60.9 | 176.6 | 9.5 | 0 | 0 | 111 | R190 R191 | Q188-R190 PolarHBondContact O-N 2.9Å; Q188-R191 PolarHBondContact O-N 2.79Å | ||
| 189 | K | 89.9 | Confident | 92.2 | Very high | 76 Ų | 76 | 68.4 Ų | 68.4 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -53 | -26.6 | 177.6 | -71.5 | -168.6 | 173.4 | -172.9 | 0 | 114.3 | N179 A182 R191 L192 Y193 | N179-K189 WeakPolarHBondContact OD1-CE 3.29Å; N179-K189 PolarHBondContact OD1-NZ 2.96Å; A182-K189 HydrophobicContact CB-CG 4.36Å; K189-R191 VanDerWaalsContact C-N 3.25Å; K189-R191 PolarHBondContact O-N 3.15Å; K189-L192 WeakPolarHBondContact O-CB 3.23Å; K189-L192 PolarHBondContact O-N 2.88Å; K189-L192 VanDerWaalsContact O-N 3.16Å; K189-Y193 HydrophobicContact CB-CE2 4.17Å; K189-Y193 VanDerWaalsContact O-CD2 3.27Å; K189-Y193 WeakPolarHBondContact O-CD2 3.48Å; K189-Y193 PolarHBondContact O-N 3.13Å; K189-Y193 VanDerWaalsContact O-N 3.13Å |
| 190 | R | 94.2 | Very high | 92.2 | Very high | 127 Ų | 127 | 69.9 Ų | 69.9 | 48% | 0.479 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -56.9 | -38.7 | 175.1 | -179.6 | 64.5 | -167.9 | 84.1 | 5.3 | 112.5 | Q188 Y193 D194 | Q188-R190 PolarHBondContact O-N 2.9Å; R190-Y193 PolarHBondContact O-N 3.39Å; R190-D194 IonicContact CZ-OD1 2.63Å; R190-D194 IonicContact CZ-OD2 3.93Å; R190-D194 IonicContact NH1-OD1 2.63Å; R190-D194 PolarHBondContact NH1-OD1 2.97Å; R190-D194 IonicContact NH1-OD2 3.09Å; R190-D194 PolarHBondContact NH1-OD2 2.7Å; R190-D194 VanDerWaalsContact NH1-OD2 3.09Å; R190-D194 IonicContact NH2-OD1 3.23Å; R190-D194 PolarHBondContact NH2-OD1 2.85Å; R190-D194 IonicContact NH2-OD2 3.7Å; R190-D194 PolarHBondContact O-N 2.8Å |
| 191 | R | 94.3 | Very high | 92.2 | Very high | 109 Ų | 109 | 67.7 Ų | 67.7 | 41% | 0.411 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -72.6 | -33.8 | 178.6 | -67 | -68.5 | 87.5 | 136.4 | -1.2 | 112.1 | L160 Q188 K189 Y193 D194 I195 | L160-R191 HydrophobicContact CD1-CB 4.29Å; L160-R191 HydrophobicContact CD1-CG 4.45Å; Q188-R191 PolarHBondContact O-N 2.79Å; K189-R191 VanDerWaalsContact C-N 3.25Å; K189-R191 PolarHBondContact O-N 3.15Å; R191-Y193 VanDerWaalsContact C-N 3.31Å; R191-Y193 PolarHBondContact O-N 2.88Å; R191-D194 IonicContact CZ-OD2 3.12Å; R191-D194 IonicContact NE-OD2 2.83Å; R191-D194 PolarHBondContact NE-OD2 2.73Å; R191-D194 IonicContact NH2-OD2 2.74Å; R191-D194 PolarHBondContact NH2-OD2 3.29Å; R191-D194 WeakPolarHBondContact O-CB 3.37Å; R191-D194 PolarHBondContact O-N 3.33Å; R191-I195 WeakPolarHBondContact O-CG1 3.42Å; R191-I195 PolarHBondContact O-N 3.1Å |
| 192 | L | 93.8 | Very high | 92 | Very high | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 172.7 | -61.8 | 179.1 | 0 | 0 | 0 | 111 | F164 L178 A181 A182 L185 V187 K189 D194 I195 T196 | F164-L192 HydrophobicContact CD2-CD2 3.69Å; F164-L192 HydrophobicContact CE2-CD2 3.8Å; L178-L192 HydrophobicContact CB-CD1 4.35Å; L178-L192 HydrophobicContact CD2-CD1 4.47Å; L178-L192 WeakPolarHBondContact O-CD1 3.43Å; A181-L192 HydrophobicContact CB-CD1 4.27Å; A181-L192 HydrophobicContact CB-CD2 4.36Å; A182-L192 HydrophobicContact CB-CD1 3.82Å; L185-L192 HydrophobicContact CD1-CD2 4.12Å; V187-L192 HydrophobicContact CG2-CD2 4.31Å; K189-L192 WeakPolarHBondContact O-CB 3.23Å; K189-L192 PolarHBondContact O-N 2.88Å; K189-L192 VanDerWaalsContact O-N 3.16Å; L192-D194 VanDerWaalsContact C-N 3.32Å; L192-D194 PolarHBondContact O-N 2.57Å; L192-I195 PolarHBondContact O-N 2.98Å; L192-I195 VanDerWaalsContact O-N 3.12Å; L192-T196 WeakPolarHBondContact O-CG2 3.08Å; L192-T196 PolarHBondContact O-N 3.44Å; L192-T196 PolarHBondContact O-OG1 3.39Å |
| 193 | Y | 94.3 | Very high | 91.6 | Very high | 97 Ų | 97 | 78.9 Ų | 78.9 | 38% | 0.38 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.6 | -34.4 | 176 | -55.1 | -41.7 | 0 | 0 | 0 | 113.5 | L178 K189 R190 R191 I195 T196 N197 | L178-Y193 HydrophobicContact CD1-CE1 4.42Å; K189-Y193 HydrophobicContact CB-CE2 4.17Å; K189-Y193 VanDerWaalsContact O-CD2 3.27Å; K189-Y193 WeakPolarHBondContact O-CD2 3.48Å; K189-Y193 PolarHBondContact O-N 3.13Å; K189-Y193 VanDerWaalsContact O-N 3.13Å; R190-Y193 PolarHBondContact O-N 3.39Å; R191-Y193 VanDerWaalsContact C-N 3.31Å; R191-Y193 PolarHBondContact O-N 2.88Å; Y193-I195 VanDerWaalsContact C-N 3.27Å; Y193-I195 PolarHBondContact O-N 3.3Å; Y193-T196 WeakPolarHBondContact CA-OG1 3.42Å; Y193-T196 PolarHBondContact O-OG1 3.34Å; Y193-N197 WeakPolarHBondContact O-CB 3.41Å; Y193-N197 PolarHBondContact O-N 3.37Å; Y193-N197 PolarHBondContact O-ND2 2.88Å; Y193-N197 PolarHBondContact O-OD1 3.18Å |
| 194 | D | 94.8 | Very high | 91.4 | Very high | 33 Ų | 33 | 74.6 Ų | 74.6 | 18% | 0.176 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 173.3 | -67.7 | -48.3 | 0 | 0 | 0 | 111 | L157 R190 R191 L192 V198 | L157-D194 HydrophobicContact CD1-CB 3.94Å; L157-D194 HydrophobicContact CD2-CB 4.17Å; R190-D194 IonicContact CZ-OD1 2.63Å; R190-D194 IonicContact CZ-OD2 3.93Å; R190-D194 IonicContact NH1-OD1 2.63Å; R190-D194 PolarHBondContact NH1-OD1 2.97Å; R190-D194 IonicContact NH1-OD2 3.09Å; R190-D194 PolarHBondContact NH1-OD2 2.7Å; R190-D194 VanDerWaalsContact NH1-OD2 3.09Å; R190-D194 IonicContact NH2-OD1 3.23Å; R190-D194 PolarHBondContact NH2-OD1 2.85Å; R190-D194 IonicContact NH2-OD2 3.7Å; R190-D194 PolarHBondContact O-N 2.8Å; R191-D194 IonicContact CZ-OD2 3.12Å; R191-D194 IonicContact NE-OD2 2.83Å; R191-D194 PolarHBondContact NE-OD2 2.73Å; R191-D194 IonicContact NH2-OD2 2.74Å; R191-D194 PolarHBondContact NH2-OD2 3.29Å; R191-D194 WeakPolarHBondContact O-CB 3.37Å; R191-D194 PolarHBondContact O-N 3.33Å; L192-D194 VanDerWaalsContact C-N 3.32Å; L192-D194 PolarHBondContact O-N 2.57Å; D194-V198 WeakPolarHBondContact O-CG2 3.36Å |
| 195 | I | 94.4 | Very high | 91.4 | Very high | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -72.6 | -49.4 | 178.7 | -59.7 | 169.2 | 0 | 0 | 0 | 110.5 | L157 L160 T161 F164 R191 L192 Y193 N197 V198 L199 | L157-I195 HydrophobicContact CD1-CD1 4.16Å; L157-I195 HydrophobicContact CD1-CG1 3.63Å; L157-I195 HydrophobicContact CG-CG1 4.32Å; L160-I195 HydrophobicContact CB-CD1 3.89Å; T161-I195 HydrophobicContact CG2-CG2 4.15Å; F164-I195 HydrophobicContact CB-CD1 4.31Å; F164-I195 HydrophobicContact CD1-CG2 3.74Å; F164-I195 HydrophobicContact CE1-CG2 4.07Å; F164-I195 HydrophobicContact CG-CG2 4.15Å; R191-I195 WeakPolarHBondContact O-CG1 3.42Å; R191-I195 PolarHBondContact O-N 3.1Å; L192-I195 PolarHBondContact O-N 2.98Å; L192-I195 VanDerWaalsContact O-N 3.12Å; Y193-I195 VanDerWaalsContact C-N 3.27Å; Y193-I195 PolarHBondContact O-N 3.3Å; I195-N197 PolarHBondContact O-N 3.36Å; I195-V198 PolarHBondContact O-N 3.28Å; I195-L199 HydrophobicContact CG2-CD1 3.85Å; I195-L199 HydrophobicContact CG2-CG 4.34Å; I195-L199 WeakPolarHBondContact O-CG 3.34Å; I195-L199 PolarHBondContact O-N 3.47Å |
| 196 | T | 93.8 | Very high | 91.4 | Very high | 8 Ų | 8 | 76.2 Ų | 76.2 | 5% | 0.049 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.6 | -38.9 | -176.4 | 59.9 | 0 | 0 | 0 | 0 | 111.9 | F164 L178 L192 Y193 V198 L199 E200 I205 I213 | F164-T196 HydrophobicContact CE1-CG2 4.48Å; F164-T196 HydrophobicContact CZ-CG2 3.86Å; L178-T196 HydrophobicContact CD2-CG2 4.1Å; L192-T196 WeakPolarHBondContact O-CG2 3.08Å; L192-T196 PolarHBondContact O-N 3.44Å; L192-T196 PolarHBondContact O-OG1 3.39Å; Y193-T196 WeakPolarHBondContact CA-OG1 3.42Å; Y193-T196 PolarHBondContact O-OG1 3.34Å; T196-V198 VanDerWaalsContact C-N 3.28Å; T196-V198 PolarHBondContact O-N 3.45Å; T196-L199 PolarHBondContact O-N 2.89Å; T196-E200 WeakPolarHBondContact O-CB 3.31Å; T196-E200 PolarHBondContact O-N 3.47Å; T196-I205 HydrophobicContact CG2-CD1 3.92Å; T196-I213 HydrophobicContact CG2-CD1 4.36Å; T196-I213 HydrophobicContact CG2-CG2 4.3Å |
| 197 | N | 94.9 | Very high | 91.6 | Very high | 97 Ų | 97 | 74.6 Ų | 74.6 | 52% | 0.519 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.1 | -36.6 | 179.4 | -69.1 | -4 | 0 | 0 | 0 | 112.1 | Y193 I195 G201 | Y193-N197 WeakPolarHBondContact O-CB 3.41Å; Y193-N197 PolarHBondContact O-N 3.37Å; Y193-N197 PolarHBondContact O-ND2 2.88Å; Y193-N197 PolarHBondContact O-OD1 3.18Å; I195-N197 PolarHBondContact O-N 3.36Å; N197-G201 PolarHBondContact O-N 2.87Å |
| 198 | V | 94.3 | Very high | 91.5 | Very high | 93 Ų | 93 | 78.3 Ų | 78.3 | 56% | 0.564 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -70.4 | -48.9 | 176.4 | 175.1 | 0 | 0 | 0 | 0 | 110 | D194 I195 T196 E200 G201 I202 | D194-V198 WeakPolarHBondContact O-CG2 3.36Å; I195-V198 PolarHBondContact O-N 3.28Å; T196-V198 VanDerWaalsContact C-N 3.28Å; T196-V198 PolarHBondContact O-N 3.45Å; V198-E200 VanDerWaalsContact C-N 3.32Å; V198-E200 PolarHBondContact O-N 3.46Å; V198-G201 PolarHBondContact O-N 3.19Å; V198-I202 WeakPolarHBondContact O-CG1 3.38Å; V198-I202 PolarHBondContact O-N 2.87Å; V198-I202 VanDerWaalsContact O-N 3.14Å |
| 199 | L | 91.3 | Very high | 91.4 | Very high | 16 Ų | 16 | 73.3 Ų | 73.3 | 8% | 0.084 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.3 | -34.1 | 180 | -67.1 | -179 | 0 | 0 | 0 | 112.9 | F164 I195 T196 I202 H203 L204 I205 | F164-L199 HydrophobicContact CD1-CD1 4.29Å; F164-L199 HydrophobicContact CE1-CD1 4.12Å; I195-L199 HydrophobicContact CG2-CD1 3.85Å; I195-L199 HydrophobicContact CG2-CG 4.34Å; I195-L199 WeakPolarHBondContact O-CG 3.34Å; I195-L199 PolarHBondContact O-N 3.47Å; T196-L199 PolarHBondContact O-N 2.89Å; L199-I202 HydrophobicContact CD2-CD1 4.08Å; L199-I202 VanDerWaalsContact O-CG1 3.26Å; L199-I202 WeakPolarHBondContact O-CG1 3.29Å; L199-H203 PolarHBondContact O-N 2.9Å; L199-L204 HydrophobicContact CD2-CD1 4.46Å; L199-L204 PolarHBondContact O-N 3.27Å; L199-I205 HydrophobicContact CB-CD1 3.69Å; L199-I205 HydrophobicContact CB-CG1 3.67Å; L199-I205 HydrophobicContact CB-CG2 4.26Å; L199-I205 HydrophobicContact CD1-CD1 4.44Å; L199-I205 HydrophobicContact CD1-CG2 4.43Å; L199-I205 PolarHBondContact O-N 3.18Å |
| 200 | E | 90.8 | Very high | 91.3 | Very high | 89 Ų | 89 | 78.2 Ų | 78.2 | 42% | 0.416 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -72.2 | -39.4 | 173.6 | -176.9 | 172.1 | -161.9 | 0 | 0 | 110.7 | T196 V198 I202 H203 I205 | T196-E200 WeakPolarHBondContact O-CB 3.31Å; T196-E200 PolarHBondContact O-N 3.47Å; V198-E200 VanDerWaalsContact C-N 3.32Å; V198-E200 PolarHBondContact O-N 3.46Å; E200-I202 PolarHBondContact O-N 2.91Å; E200-H203 WeakPolarHBondContact O-CA 3.24Å; E200-H203 PolarHBondContact O-N 3.37Å; E200-I205 HydrophobicContact CB-CG1 4.13Å |
| 201 | G | 88.6 | Confident | 91 | Very high | 55 Ų | 55 | 74.7 Ų | 74.7 | 57% | 0.567 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.2 | -27.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | N197 V198 | N197-G201 PolarHBondContact O-N 2.87Å; V198-G201 PolarHBondContact O-N 3.19Å |
| 202 | I | 88.4 | Confident | 90.8 | Very high | 98 Ų | 98 | 72 Ų | 72 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 8.3 | 171.3 | 63.6 | 176.9 | 0 | 0 | 0 | 113.2 | V198 L199 E200 L204 | V198-I202 WeakPolarHBondContact O-CG1 3.38Å; V198-I202 PolarHBondContact O-N 2.87Å; V198-I202 VanDerWaalsContact O-N 3.14Å; L199-I202 HydrophobicContact CD2-CD1 4.08Å; L199-I202 VanDerWaalsContact O-CG1 3.26Å; L199-I202 WeakPolarHBondContact O-CG1 3.29Å; E200-I202 PolarHBondContact O-N 2.91Å; I202-L204 HydrophobicContact CD1-CB 4.41Å; I202-L204 HydrophobicContact CD1-CD1 3.42Å; I202-L204 VanDerWaalsContact CD1-CD1 3.42Å; I202-L204 HydrophobicContact CD1-CG 3.78Å; I202-L204 HydrophobicContact CG1-CB 4.21Å; I202-L204 HydrophobicContact CG1-CD1 4.06Å; I202-L204 HydrophobicContact CG1-CG 3.83Å; I202-L204 PolarHBondContact O-N 3.42Å |
| 203 | H | 85.4 | Confident | 90.7 | Very high | 153 Ų | 153 | 72.3 Ų | 72.3 | 71% | 0.708 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 24 | 177.8 | -52.5 | 92.1 | 0 | 0 | 0 | 115.6 | L199 E200 | L199-H203 PolarHBondContact O-N 2.9Å; E200-H203 WeakPolarHBondContact O-CA 3.24Å; E200-H203 PolarHBondContact O-N 3.37Å |
| 204 | L | 88.1 | Confident | 90.5 | Very high | 59 Ų | 59 | 70.7 Ų | 70.7 | 31% | 0.309 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -82.4 | -16.2 | 174.2 | -69.4 | -174.7 | 0 | 0 | 0 | 112.9 | L199 I202 W215 M216 G217 | L199-L204 HydrophobicContact CD2-CD1 4.46Å; L199-L204 PolarHBondContact O-N 3.27Å; I202-L204 HydrophobicContact CD1-CB 4.41Å; I202-L204 HydrophobicContact CD1-CD1 3.42Å; I202-L204 VanDerWaalsContact CD1-CD1 3.42Å; I202-L204 HydrophobicContact CD1-CG 3.78Å; I202-L204 HydrophobicContact CG1-CB 4.21Å; I202-L204 HydrophobicContact CG1-CD1 4.06Å; I202-L204 HydrophobicContact CG1-CG 3.83Å; I202-L204 PolarHBondContact O-N 3.42Å; L204-W215 HydrophobicContact CB-CH2 4.27Å; L204-W215 HydrophobicContact CB-CZ3 4.09Å; L204-W215 HydrophobicContact CD1-CH2 4.16Å; L204-M216 CarbonylContact O-C 3.58Å; L204-M216 WeakPolarHBondContact O-CA 3.46Å; L204-M216 PolarHBondContact O-N 3.48Å; L204-G217 PolarHBondContact O-N 3.21Å |
| 205 | I | 89.7 | Confident | 90.3 | Very high | 6 Ų | 6 | 73 Ų | 73 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 157.8 | 173.5 | 64.9 | 171 | 0 | 0 | 0 | 110.7 | L168 T196 L199 E200 I213 Q214 W215 | L168-I205 HydrophobicContact CD2-CG2 4.05Å; T196-I205 HydrophobicContact CG2-CD1 3.92Å; L199-I205 HydrophobicContact CB-CD1 3.69Å; L199-I205 HydrophobicContact CB-CG1 3.67Å; L199-I205 HydrophobicContact CB-CG2 4.26Å; L199-I205 HydrophobicContact CD1-CD1 4.44Å; L199-I205 HydrophobicContact CD1-CG2 4.43Å; L199-I205 PolarHBondContact O-N 3.18Å; E200-I205 HydrophobicContact CB-CG1 4.13Å; I205-I213 HydrophobicContact CD1-CD1 3.9Å; I205-I213 HydrophobicContact CG2-CD1 4.37Å; I205-Q214 CarbonylContact C-O 3.5Å; I205-Q214 WeakPolarHBondContact CA-O 3.48Å; I205-Q214 WeakPolarHBondContact CB-O 3.31Å; I205-W215 HydrophobicContact CG2-CE3 3.64Å; I205-W215 HydrophobicContact CG2-CZ3 4.14Å |
| 206 | K | 90 | Very high | 89.6 | Confident | 126 Ų | 126 | 77.5 Ų | 77.5 | 55% | 0.548 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 145.4 | 173.2 | -178.3 | 176.2 | -179.9 | -179.8 | 0 | 110.4 | K208 I213 Q214 M216 | K206-K208 PolarHBondContact O-N 3.5Å; K206-I213 WeakPolarHBondContact O-CA 3.38Å; K206-Q214 PolarHBondContact N-O 3.46Å; K206-Q214 PolarHBondContact O-N 2.87Å; K206-M216 HydrophobicContact CB-CG 3.47Å; K206-M216 VanDerWaalsContact CB-CG 3.47Å; K206-M216 HydrophobicContact CB-SD 3.75Å; K206-M216 HydrophobicContact CD-SD 4.26Å |
| 207 | K | 91.4 | Very high | 88.2 | Confident | 132 Ų | 132 | 77.5 Ų | 77.5 | 57% | 0.574 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 112.2 | 171.9 | -171.8 | 177.4 | -179.6 | 179.6 | 0 | 110.5 | S209 | K207-S209 WeakPolarHBondContact CG-O 3.29Å |
| 208 | K | 87.3 | Confident | 86.4 | Confident | 110 Ų | 110 | 77 Ų | 77 | 48% | 0.478 | 39% | 0.393 | S | S | . | . | trans | -83.5 | -40.4 | 174.2 | -172 | 173 | -179 | 172.8 | 0 | 110.9 | D173 V175 K206 N212 Q214 | D173-K208 IonicContact OD2-NZ 2.57Å; D173-K208 PolarHBondContact OD2-NZ 3.03Å; V175-K208 HydrophobicContact CG1-CD 4.17Å; V175-K208 HydrophobicContact CG2-CD 3.62Å; K206-K208 PolarHBondContact O-N 3.5Å; K208-N212 HydrophobicContact CB-CB 4.46Å; K208-N212 PolarHBondContact N-O 2.88Å; K208-Q214 HydrophobicContact CB-CB 4.23Å; K208-Q214 HydrophobicContact CD-CB 4.49Å | ||
| 209 | S | 90.4 | Very high | 84.5 | Confident | 50 Ų | 50 | 75.7 Ų | 75.7 | 35% | 0.35 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -156.6 | -177.5 | 173.8 | 67 | 0 | 0 | 0 | 0 | 111.6 | K207 N211 N212 | K207-S209 WeakPolarHBondContact CG-O 3.29Å; S209-N211 PolarHBondContact O-N 3.23Å; S209-N211 VanDerWaalsContact O-N 3.11Å; S209-N212 PolarHBondContact N-O 2.86Å; S209-N212 PolarHBondContact O-N 2.57Å; S209-N212 VanDerWaalsContact O-O 3.12Å; S209-N212 VanDerWaalsContact OG-CB 3.28Å; S209-N212 WeakPolarHBondContact OG-CB 3.39Å; S209-N212 PolarHBondContact OG-N 2.76Å; S209-N212 PolarHBondContact OG-ND2 2.63Å |
| 210 | K | 86.3 | Confident | 82.5 | Confident | 179 Ų | 179 | 82.2 Ų | 82.2 | 78% | 0.778 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -53.3 | -35.4 | -175.4 | -174.2 | 176 | 179 | 179.4 | 0 | 113.7 | ||
| 211 | N | 89.3 | Confident | 80.6 | Confident | 54 Ų | 54 | 84.6 Ų | 84.6 | 29% | 0.289 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -115.8 | -3.7 | 179.9 | -64.7 | -30.7 | 0 | 0 | 0 | 113.6 | D177 L178 N179 S209 | D177-N211 CarbonylContact C-O 3.52Å; D177-N211 WeakPolarHBondContact CA-O 2.82Å; L178-N211 WeakPolarHBondContact CG-O 3.5Å; L178-N211 PolarHBondContact N-O 3.31Å; N179-N211 VanDerWaalsContact ND2-CG 3.32Å; N179-N211 PolarHBondContact ND2-ND2 2.87Å; N179-N211 VanDerWaalsContact ND2-ND2 3.16Å; S209-N211 PolarHBondContact O-N 3.23Å; S209-N211 VanDerWaalsContact O-N 3.11Å |
| 212 | N | 89.8 | Confident | 78.8 | Confident | 51 Ų | 51 | 88.6 Ų | 88.6 | 27% | 0.273 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.4 | -176.5 | -61.3 | -56.6 | 0 | 0 | 0 | 110.7 | V175 L176 K208 S209 | V175-N212 HydrophobicContact CG1-CB 3.76Å; L176-N212 WeakPolarHBondContact O-CA 3.39Å; K208-N212 HydrophobicContact CB-CB 4.46Å; K208-N212 PolarHBondContact N-O 2.88Å; S209-N212 PolarHBondContact N-O 2.86Å; S209-N212 PolarHBondContact O-N 2.57Å; S209-N212 VanDerWaalsContact O-O 3.12Å; S209-N212 VanDerWaalsContact OG-CB 3.28Å; S209-N212 WeakPolarHBondContact OG-CB 3.39Å; S209-N212 PolarHBondContact OG-N 2.76Å; S209-N212 PolarHBondContact OG-ND2 2.63Å |
| 213 | I | 91.4 | Very high | 77.2 | Confident | 9 Ų | 9 | 86.6 Ų | 86.6 | 5% | 0.046 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 149.1 | 168.5 | 58.8 | 142.8 | 0 | 0 | 0 | 109.1 | F164 L168 V175 L176 L178 T196 I205 K206 | F164-I213 HydrophobicContact CE1-CD1 3.73Å; F164-I213 HydrophobicContact CZ-CD1 3.41Å; F164-I213 VanDerWaalsContact CZ-CD1 3.41Å; F164-I213 HydrophobicContact CZ-CG1 4.39Å; L168-I213 HydrophobicContact CD1-CD1 4.5Å; L168-I213 HydrophobicContact CD2-CD1 4.41Å; V175-I213 CarbonylContact C-O 3.53Å; V175-I213 VanDerWaalsContact CA-O 3.25Å; V175-I213 WeakPolarHBondContact CA-O 3.34Å; L176-I213 HydrophobicContact CB-CD1 4.35Å; L176-I213 HydrophobicContact CB-CG1 4.03Å; L176-I213 HydrophobicContact CD2-CD1 4.45Å; L176-I213 PolarHBondContact N-O 3.5Å; L176-I213 WeakPolarHBondContact O-CG1 3.5Å; L176-I213 PolarHBondContact O-N 3.27Å; L178-I213 HydrophobicContact CD1-CG2 4.33Å; L178-I213 HydrophobicContact CD2-CG1 4.2Å; L178-I213 HydrophobicContact CD2-CG2 4.23Å; L178-I213 HydrophobicContact CG-CG2 4.42Å; T196-I213 HydrophobicContact CG2-CD1 4.36Å; T196-I213 HydrophobicContact CG2-CG2 4.3Å; I205-I213 HydrophobicContact CD1-CD1 3.9Å; I205-I213 HydrophobicContact CG2-CD1 4.37Å; K206-I213 WeakPolarHBondContact O-CA 3.38Å |
| 214 | Q | 90 | Very high | 75.7 | Confident | 62 Ų | 62 | 85.5 Ų | 85.5 | 29% | 0.29 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 135.3 | 178 | -175.3 | 172 | 7.6 | 0 | 0 | 109.1 | G174 V175 I205 K206 K208 M216 | G174-Q214 CarbonylContact O-C 3.55Å; G174-Q214 WeakPolarHBondContact O-CA 3.47Å; V175-Q214 HydrophobicContact CG2-CB 4.11Å; V175-Q214 HydrophobicContact CG2-CG 3.99Å; I205-Q214 CarbonylContact C-O 3.5Å; I205-Q214 WeakPolarHBondContact CA-O 3.48Å; I205-Q214 WeakPolarHBondContact CB-O 3.31Å; K206-Q214 PolarHBondContact N-O 3.46Å; K206-Q214 PolarHBondContact O-N 2.87Å; K208-Q214 HydrophobicContact CB-CB 4.23Å; K208-Q214 HydrophobicContact CD-CB 4.49Å; Q214-M216 PolarHBondContact O-N 2.87Å |
| 215 | W | 90.1 | Very high | 74.5 | Confident | 83 Ų | 83 | 84.7 Ų | 84.7 | 31% | 0.314 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 122.6 | 170.3 | -173.8 | -109.6 | 0 | 0 | 0 | 109.4 | L168 G174 L204 I205 G217 | L168-W215 HydrophobicContact CD1-CB 4.13Å; L168-W215 HydrophobicContact CD2-CB 4.01Å; L168-W215 HydrophobicContact CD2-CD2 3.96Å; L168-W215 HydrophobicContact CD2-CE3 3.28Å; L168-W215 HydrophobicContact CD2-CG 4.29Å; L168-W215 HydrophobicContact CD2-CZ3 4.04Å; L168-W215 HydrophobicContact CG-CB 4.02Å; L168-W215 HydrophobicContact CG-CE3 4.25Å; L168-W215 HydrophobicContact CG-CG 4.47Å; G174-W215 PolarHBondContact O-N 3.32Å; L204-W215 HydrophobicContact CB-CH2 4.27Å; L204-W215 HydrophobicContact CB-CZ3 4.09Å; L204-W215 HydrophobicContact CD1-CH2 4.16Å; I205-W215 HydrophobicContact CG2-CE3 3.64Å; I205-W215 HydrophobicContact CG2-CZ3 4.14Å; W215-G217 VanDerWaalsContact NE1-C 3.31Å; W215-G217 PolarHBondContact NE1-O 3.39Å |
| 216 | M | 79.9 | Confident | 73.4 | Confident | 98 Ų | 98 | 87 Ų | 87 | 48% | 0.483 | 45% | 0.454 | S | S | . | . | trans | -108.3 | -14.5 | 175.3 | -59.6 | -60.9 | -53.1 | 0 | 0 | 111.5 | L204 K206 Q214 | L204-M216 CarbonylContact O-C 3.58Å; L204-M216 WeakPolarHBondContact O-CA 3.46Å; L204-M216 PolarHBondContact O-N 3.48Å; K206-M216 HydrophobicContact CB-CG 3.47Å; K206-M216 VanDerWaalsContact CB-CG 3.47Å; K206-M216 HydrophobicContact CB-SD 3.75Å; K206-M216 HydrophobicContact CD-SD 4.26Å; Q214-M216 PolarHBondContact O-N 2.87Å | ||
| 217 | G | 65.2 | Low | 72.6 | Confident | 7 Ų | 7 | 84 Ų | 84 | 7% | 0.072 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -60.6 | 149.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L204 W215 S219 | L204-G217 PolarHBondContact O-N 3.21Å; W215-G217 VanDerWaalsContact NE1-C 3.31Å; W215-G217 PolarHBondContact NE1-O 3.39Å; G217-S219 PolarHBondContact O-N 3.44Å; G217-S219 VanDerWaalsContact O-N 3.1Å |
| 218 | C | 56.2 | Low | 71.9 | Confident | 86 Ų | 86 | 81 Ų | 81 | 58% | 0.581 | 44% | 0.44 | S | S | * | . | trans | -44.2 | 122 | -171.4 | -45.2 | 0 | 0 | 0 | 0 | 111 | L220 V223 | C218-L220 PolarHBondContact O-N 2.89Å; C218-L220 VanDerWaalsContact O-N 3.11Å; C218-V223 HydrophobicContact CB-CG2 3.17Å | ||
| 219 | S | 54.9 | Low | 71.7 | Confident | 66 Ų | 66 | 81.9 Ų | 81.9 | 46% | 0.462 | 45% | 0.446 | S | S | . | . | trans | -50.2 | 124.7 | 159.5 | -105.3 | 0 | 0 | 0 | 0 | 105.7 | G217 L221 E222 V223 | G217-S219 PolarHBondContact O-N 3.44Å; G217-S219 VanDerWaalsContact O-N 3.1Å; S219-L221 PolarHBondContact O-N 3.21Å; S219-E222 WeakPolarHBondContact O-CA 3.26Å; S219-E222 WeakPolarHBondContact O-CB 3.38Å; S219-E222 PolarHBondContact O-N 3.48Å; S219-V223 PolarHBondContact O-N 3.3Å; S219-V223 VanDerWaalsContact O-N 3.14Å | ||
| 220 | L | 49 | Very low | 71.4 | Confident | 154 Ų | 154 | 87 Ų | 87 | 81% | 0.806 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -53 | -26.6 | -179.6 | -152.8 | 92.9 | 0 | 0 | 0 | 111.1 | C218 E224 | C218-L220 PolarHBondContact O-N 2.89Å; C218-L220 VanDerWaalsContact O-N 3.11Å; L220-E224 PolarHBondContact O-N 2.96Å |
| 221 | L | 50.7 | Low | 71.5 | Confident | 139 Ų | 139 | 84.6 Ų | 84.6 | 73% | 0.728 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -69.6 | -35.3 | 171.4 | -74.7 | 161.7 | 0 | 0 | 0 | 114.9 | S219 G225 | S219-L221 PolarHBondContact O-N 3.21Å; L221-G225 PolarHBondContact O-N 2.75Å; L221-G225 VanDerWaalsContact O-N 3.16Å |
| 222 | E | 51.9 | Low | 71.6 | Confident | 139 Ų | 139 | 85.6 Ų | 85.6 | 65% | 0.65 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -74.2 | -29.9 | 173.5 | -88.5 | -179.1 | 154.6 | 0 | 0 | 111.8 | S219 A226 | S219-E222 WeakPolarHBondContact O-CA 3.26Å; S219-E222 WeakPolarHBondContact O-CB 3.38Å; S219-E222 PolarHBondContact O-N 3.48Å; E222-A226 WeakPolarHBondContact O-CB 3.42Å; E222-A226 PolarHBondContact O-N 2.86Å |
| 223 | V | 53.8 | Low | 71.8 | Confident | 55 Ų | 55 | 87.3 Ų | 87.3 | 33% | 0.333 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 172.6 | -177.8 | 0 | 0 | 0 | 0 | 110 | C218 S219 A226 L227 | C218-V223 HydrophobicContact CB-CG2 3.17Å; S219-V223 PolarHBondContact O-N 3.3Å; S219-V223 VanDerWaalsContact O-N 3.14Å; V223-A226 PolarHBondContact O-N 2.86Å; V223-L227 HydrophobicContact CG1-CD1 3.65Å; V223-L227 HydrophobicContact CG1-CG 3.93Å; V223-L227 WeakPolarHBondContact O-CB 3.33Å; V223-L227 WeakPolarHBondContact O-CG 3.46Å; V223-L227 PolarHBondContact O-N 2.94Å |
| 224 | E | 54.9 | Low | 71.9 | Confident | 130 Ų | 130 | 91.2 Ų | 91.2 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.9 | -45 | 178.4 | -152 | 163.1 | -159.5 | 0 | 0 | 111.5 | L220 L227 S228 | L220-E224 PolarHBondContact O-N 2.96Å; E224-L227 PolarHBondContact O-N 2.99Å; E224-S228 WeakPolarHBondContact O-CB 3.43Å; E224-S228 PolarHBondContact O-N 2.88Å; E224-S228 PolarHBondContact O-OG 3.08Å; E224-S228 VanDerWaalsContact O-OG 3.13Å |
| 225 | G | 61.6 | Low | 72.1 | Confident | 42 Ų | 42 | 91.1 Ų | 91.1 | 43% | 0.433 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | L221 S228 Q229 | L221-G225 PolarHBondContact O-N 2.75Å; L221-G225 VanDerWaalsContact O-N 3.16Å; G225-S228 PolarHBondContact O-N 3.24Å; G225-Q229 WeakPolarHBondContact O-CB 3.49Å; G225-Q229 PolarHBondContact O-N 2.81Å |
| 226 | A | 67.5 | Low | 72.4 | Confident | 54 Ų | 54 | 92.2 Ų | 92.2 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.8 | -32.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E222 V223 R230 | E222-A226 WeakPolarHBondContact O-CB 3.42Å; E222-A226 PolarHBondContact O-N 2.86Å; V223-A226 PolarHBondContact O-N 2.86Å; A226-R230 WeakPolarHBondContact O-CB 3.18Å; A226-R230 PolarHBondContact O-N 3.3Å |
| 227 | L | 72.6 | Confident | 73.3 | Confident | 63 Ų | 63 | 92.4 Ų | 92.4 | 33% | 0.33 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.1 | -45.1 | 172.6 | -73 | 177.4 | 0 | 0 | 0 | 111 | V223 E224 R230 Q231 | V223-L227 HydrophobicContact CG1-CD1 3.65Å; V223-L227 HydrophobicContact CG1-CG 3.93Å; V223-L227 WeakPolarHBondContact O-CB 3.33Å; V223-L227 WeakPolarHBondContact O-CG 3.46Å; V223-L227 PolarHBondContact O-N 2.94Å; E224-L227 PolarHBondContact O-N 2.99Å; L227-R230 PolarHBondContact O-N 2.99Å; L227-Q231 WeakPolarHBondContact O-CB 3.5Å; L227-Q231 VanDerWaalsContact O-CG 3.27Å; L227-Q231 WeakPolarHBondContact O-CG 3.35Å; L227-Q231 PolarHBondContact O-N 3.36Å |
| 228 | S | 77.3 | Confident | 74.8 | Confident | 69 Ų | 69 | 95.2 Ų | 95.2 | 48% | 0.483 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 175.6 | -66.9 | 0 | 0 | 0 | 0 | 112.1 | E224 G225 Q231 S232 | E224-S228 WeakPolarHBondContact O-CB 3.43Å; E224-S228 PolarHBondContact O-N 2.88Å; E224-S228 PolarHBondContact O-OG 3.08Å; E224-S228 VanDerWaalsContact O-OG 3.13Å; G225-S228 PolarHBondContact O-N 3.24Å; S228-Q231 PolarHBondContact O-N 3.13Å; S228-S232 PolarHBondContact O-N 3.35Å |
| 229 | Q | 83.6 | Confident | 76.8 | Confident | 130 Ų | 130 | 93.7 Ų | 93.7 | 61% | 0.607 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63 | -43.9 | 175.3 | -172.8 | 177.5 | 24.4 | 0 | 0 | 111.4 | G225 Q231 S232 L233 | G225-Q229 WeakPolarHBondContact O-CB 3.49Å; G225-Q229 PolarHBondContact O-N 2.81Å; Q229-Q231 VanDerWaalsContact C-N 3.33Å; Q229-Q231 PolarHBondContact O-N 2.92Å; Q229-S232 WeakPolarHBondContact O-CB 3.3Å; Q229-S232 PolarHBondContact O-N 2.76Å; Q229-L233 HydrophobicContact CG-CD1 4.1Å; Q229-L233 WeakPolarHBondContact O-CB 3.26Å; Q229-L233 WeakPolarHBondContact O-CG 3.36Å; Q229-L233 PolarHBondContact O-N 3.37Å |
| 230 | R | 83.4 | Confident | 78.9 | Confident | 157 Ų | 157 | 95.7 Ų | 95.7 | 59% | 0.592 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.4 | -38.7 | 175.7 | -175.8 | 177.6 | 61.1 | 147 | 7 | 112.1 | A226 L227 T234 | A226-R230 WeakPolarHBondContact O-CB 3.18Å; A226-R230 PolarHBondContact O-N 3.3Å; L227-R230 PolarHBondContact O-N 2.99Å; R230-T234 WeakPolarHBondContact O-CB 3.36Å; R230-T234 PolarHBondContact O-N 2.89Å; R230-T234 PolarHBondContact O-OG1 3.14Å |
| 231 | Q | 88.6 | Confident | 81.2 | Confident | 128 Ų | 128 | 90 Ų | 90 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.6 | -43.7 | 173.8 | -74.7 | 172.7 | 26.3 | 0 | 0 | 111.5 | L227 S228 Q229 T234 A235 | L227-Q231 WeakPolarHBondContact O-CB 3.5Å; L227-Q231 VanDerWaalsContact O-CG 3.27Å; L227-Q231 WeakPolarHBondContact O-CG 3.35Å; L227-Q231 PolarHBondContact O-N 3.36Å; S228-Q231 PolarHBondContact O-N 3.13Å; Q229-Q231 VanDerWaalsContact C-N 3.33Å; Q229-Q231 PolarHBondContact O-N 2.92Å; Q231-T234 PolarHBondContact O-N 2.96Å; Q231-A235 PolarHBondContact O-N 3.15Å |
| 232 | S | 90.8 | Very high | 83.5 | Confident | 75 Ų | 75 | 89.5 Ų | 89.5 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60 | -48.6 | 175.6 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | S228 Q229 T234 A235 E236 | S228-S232 PolarHBondContact O-N 3.35Å; Q229-S232 WeakPolarHBondContact O-CB 3.3Å; Q229-S232 PolarHBondContact O-N 2.76Å; S232-T234 VanDerWaalsContact C-N 3.3Å; S232-T234 PolarHBondContact O-N 3.37Å; S232-A235 PolarHBondContact O-N 3.42Å; S232-E236 WeakPolarHBondContact O-CB 3.44Å; S232-E236 PolarHBondContact O-N 2.88Å |
| 233 | L | 93.5 | Very high | 85.7 | Confident | 88 Ų | 88 | 86.6 Ų | 86.6 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.9 | -36.9 | 176.9 | -72.4 | 166.4 | 0 | 0 | 0 | 111.8 | Q229 E236 V237 | Q229-L233 HydrophobicContact CG-CD1 4.1Å; Q229-L233 WeakPolarHBondContact O-CB 3.26Å; Q229-L233 WeakPolarHBondContact O-CG 3.36Å; Q229-L233 PolarHBondContact O-N 3.37Å; L233-E236 PolarHBondContact O-N 3.05Å; L233-V237 WeakPolarHBondContact O-CB 3.42Å; L233-V237 VanDerWaalsContact O-CG2 3.25Å; L233-V237 WeakPolarHBondContact O-CG2 3.35Å; L233-V237 PolarHBondContact O-N 3.18Å |
| 234 | T | 93.9 | Very high | 87.9 | Confident | 90 Ų | 90 | 90.8 Ų | 90.8 | 55% | 0.552 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.8 | -41.4 | 175.7 | -54.8 | 0 | 0 | 0 | 0 | 111 | R230 Q231 S232 S238 | R230-T234 WeakPolarHBondContact O-CB 3.36Å; R230-T234 PolarHBondContact O-N 2.89Å; R230-T234 PolarHBondContact O-OG1 3.14Å; Q231-T234 PolarHBondContact O-N 2.96Å; S232-T234 VanDerWaalsContact C-N 3.3Å; S232-T234 PolarHBondContact O-N 3.37Å; T234-S238 WeakPolarHBondContact O-CB 3.48Å; T234-S238 PolarHBondContact O-N 3.21Å |
| 235 | A | 95.1 | Very high | 89.9 | Confident | 60 Ų | 60 | 90 Ų | 90 | 50% | 0.496 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q231 S232 S238 A239 | Q231-A235 PolarHBondContact O-N 3.15Å; S232-A235 PolarHBondContact O-N 3.42Å; A235-S238 WeakPolarHBondContact O-CB 3.46Å; A235-S238 PolarHBondContact O-N 2.91Å; A235-A239 WeakPolarHBondContact O-CB 3.25Å; A235-A239 PolarHBondContact O-N 2.88Å |
| 236 | E | 96.9 | Very high | 91.7 | Very high | 107 Ų | 107 | 93.3 Ų | 93.3 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 176.1 | -174.5 | 177.2 | -178.9 | 0 | 0 | 111.8 | S232 L233 S238 A239 L240 | S232-E236 WeakPolarHBondContact O-CB 3.44Å; S232-E236 PolarHBondContact O-N 2.88Å; L233-E236 PolarHBondContact O-N 3.05Å; E236-S238 VanDerWaalsContact C-N 3.27Å; E236-S238 PolarHBondContact O-N 3.4Å; E236-A239 PolarHBondContact O-N 2.94Å; E236-L240 HydrophobicContact CG-CD1 4.23Å; E236-L240 WeakPolarHBondContact O-CB 3.45Å; E236-L240 WeakPolarHBondContact O-CG 3.48Å; E236-L240 PolarHBondContact O-N 2.84Å |
| 237 | V | 97.8 | Very high | 93.2 | Very high | 102 Ų | 102 | 94.4 Ų | 94.4 | 62% | 0.618 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.4 | -39.7 | 174.8 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | L233 G241 | L233-V237 WeakPolarHBondContact O-CB 3.42Å; L233-V237 VanDerWaalsContact O-CG2 3.25Å; L233-V237 WeakPolarHBondContact O-CG2 3.35Å; L233-V237 PolarHBondContact O-N 3.18Å; V237-G241 PolarHBondContact O-N 3.37Å |
| 238 | S | 97.6 | Very high | 94.4 | Very high | 65 Ų | 65 | 95.9 Ų | 95.9 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 174.7 | -167.2 | 0 | 0 | 0 | 0 | 111.6 | T234 A235 E236 L240 G241 E242 | T234-S238 WeakPolarHBondContact O-CB 3.48Å; T234-S238 PolarHBondContact O-N 3.21Å; A235-S238 WeakPolarHBondContact O-CB 3.46Å; A235-S238 PolarHBondContact O-N 2.91Å; E236-S238 VanDerWaalsContact C-N 3.27Å; E236-S238 PolarHBondContact O-N 3.4Å; S238-L240 PolarHBondContact O-N 3.3Å; S238-G241 PolarHBondContact O-N 3.31Å; S238-E242 WeakPolarHBondContact O-CG 3.44Å; S238-E242 PolarHBondContact O-N 2.86Å |
| 239 | A | 98.1 | Very high | 95.4 | Very high | 55 Ų | 55 | 98.1 Ų | 98.1 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | A235 E236 G241 E242 E243 | A235-A239 WeakPolarHBondContact O-CB 3.25Å; A235-A239 PolarHBondContact O-N 2.88Å; E236-A239 PolarHBondContact O-N 2.94Å; A239-G241 VanDerWaalsContact C-N 3.34Å; A239-E242 PolarHBondContact O-N 2.87Å; A239-E243 WeakPolarHBondContact O-CB 3.08Å; A239-E243 PolarHBondContact O-N 3.33Å |
| 240 | L | 98.2 | Very high | 96.1 | Very high | 108 Ų | 108 | 96.3 Ų | 96.3 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.8 | -39.4 | 174.1 | -71.1 | 174 | 0 | 0 | 0 | 111.8 | E236 S238 E243 E244 | E236-L240 HydrophobicContact CG-CD1 4.23Å; E236-L240 WeakPolarHBondContact O-CB 3.45Å; E236-L240 WeakPolarHBondContact O-CG 3.48Å; E236-L240 PolarHBondContact O-N 2.84Å; S238-L240 PolarHBondContact O-N 3.3Å; L240-E243 PolarHBondContact O-N 3.2Å; L240-E244 WeakPolarHBondContact O-CB 3.34Å; L240-E244 PolarHBondContact O-N 3.49Å |
| 241 | G | 98.4 | Very high | 96.8 | Very high | 33 Ų | 33 | 93.4 Ų | 93.4 | 34% | 0.34 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -36.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | V237 S238 A239 Q245 | V237-G241 PolarHBondContact O-N 3.37Å; S238-G241 PolarHBondContact O-N 3.31Å; A239-G241 VanDerWaalsContact C-N 3.34Å; G241-Q245 WeakPolarHBondContact O-CB 3.48Å; G241-Q245 PolarHBondContact O-N 2.96Å |
| 242 | E | 98.4 | Very high | 97.3 | Very high | 130 Ų | 130 | 92.5 Ų | 92.5 | 61% | 0.607 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.8 | -41.7 | 173 | -72.7 | 175.4 | -162.2 | 0 | 0 | 111.7 | S238 A239 Q245 R246 | S238-E242 WeakPolarHBondContact O-CG 3.44Å; S238-E242 PolarHBondContact O-N 2.86Å; A239-E242 PolarHBondContact O-N 2.87Å; E242-Q245 PolarHBondContact O-N 2.98Å; E242-R246 WeakPolarHBondContact O-CB 3.5Å; E242-R246 PolarHBondContact O-N 3.46Å |
| 243 | E | 98.4 | Very high | 97.7 | Very high | 78 Ų | 78 | 95.5 Ų | 95.5 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 177.5 | 179.8 | 56.6 | -161.9 | 0 | 0 | 112.1 | A239 L240 Q245 R246 L247 | A239-E243 WeakPolarHBondContact O-CB 3.08Å; A239-E243 PolarHBondContact O-N 3.33Å; L240-E243 PolarHBondContact O-N 3.2Å; E243-Q245 VanDerWaalsContact C-N 3.31Å; E243-Q245 PolarHBondContact O-N 3.05Å; E243-R246 VanDerWaalsContact CD-NE 3.35Å; E243-R246 WeakPolarHBondContact O-CB 3.45Å; E243-R246 PolarHBondContact O-N 2.88Å; E243-R246 VanDerWaalsContact O-N 3.13Å; E243-R246 IonicContact OE1-CZ 2.75Å; E243-R246 VanDerWaalsContact OE1-CZ 3.32Å; E243-R246 IonicContact OE1-NE 3.18Å; E243-R246 PolarHBondContact OE1-NE 3.16Å; E243-R246 IonicContact OE1-NH2 2.79Å; E243-R246 PolarHBondContact OE1-NH2 2.92Å; E243-R246 IonicContact OE2-CZ 2.91Å; E243-R246 IonicContact OE2-NE 3.91Å; E243-R246 PolarHBondContact OE2-NE 2.87Å; E243-R246 IonicContact OE2-NH2 3.81Å; E243-L247 HydrophobicContact CG-CD1 4.41Å; E243-L247 WeakPolarHBondContact O-CG 3.36Å; E243-L247 PolarHBondContact O-N 3.39Å |
| 244 | E | 98.5 | Very high | 97.9 | Very high | 142 Ų | 142 | 94.5 Ų | 94.5 | 66% | 0.664 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -57.2 | -46.3 | 172.1 | -176.6 | -178.8 | -173.7 | 0 | 0 | 110.7 | L240 R246 L247 E248 | L240-E244 WeakPolarHBondContact O-CB 3.34Å; L240-E244 PolarHBondContact O-N 3.49Å; E244-R246 VanDerWaalsContact C-N 3.28Å; E244-R246 PolarHBondContact O-N 3.42Å; E244-L247 PolarHBondContact O-N 2.97Å; E244-E248 WeakPolarHBondContact O-CB 3.16Å; E244-E248 PolarHBondContact O-N 2.94Å |
| 245 | Q | 98.4 | Very high | 98.1 | Very high | 113 Ų | 113 | 93.4 Ų | 93.4 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.7 | -34.8 | 177.5 | -160.2 | -164.6 | 43.9 | 0 | 0 | 112.3 | G241 E242 E243 K249 | G241-Q245 WeakPolarHBondContact O-CB 3.48Å; G241-Q245 PolarHBondContact O-N 2.96Å; E242-Q245 PolarHBondContact O-N 2.98Å; E243-Q245 VanDerWaalsContact C-N 3.31Å; E243-Q245 PolarHBondContact O-N 3.05Å; Q245-K249 VanDerWaalsContact O-CG 3.3Å; Q245-K249 WeakPolarHBondContact O-CG 3.38Å; Q245-K249 PolarHBondContact O-N 3.48Å; Q245-K249 VanDerWaalsContact O-N 3.15Å |
| 246 | R | 98.6 | Very high | 98.2 | Very high | 112 Ų | 112 | 94.2 Ų | 94.2 | 42% | 0.423 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.1 | -46.3 | 175.6 | -171 | -165.9 | 70.7 | 75.5 | 1.8 | 110.8 | E242 E243 E244 K249 L250 | E242-R246 WeakPolarHBondContact O-CB 3.5Å; E242-R246 PolarHBondContact O-N 3.46Å; E243-R246 VanDerWaalsContact CD-NE 3.35Å; E243-R246 WeakPolarHBondContact O-CB 3.45Å; E243-R246 PolarHBondContact O-N 2.88Å; E243-R246 VanDerWaalsContact O-N 3.13Å; E243-R246 IonicContact OE1-CZ 2.75Å; E243-R246 VanDerWaalsContact OE1-CZ 3.32Å; E243-R246 IonicContact OE1-NE 3.18Å; E243-R246 PolarHBondContact OE1-NE 3.16Å; E243-R246 IonicContact OE1-NH2 2.79Å; E243-R246 PolarHBondContact OE1-NH2 2.92Å; E243-R246 IonicContact OE2-CZ 2.91Å; E243-R246 IonicContact OE2-NE 3.91Å; E243-R246 PolarHBondContact OE2-NE 2.87Å; E243-R246 IonicContact OE2-NH2 3.81Å; E244-R246 VanDerWaalsContact C-N 3.28Å; E244-R246 PolarHBondContact O-N 3.42Å; R246-K249 PolarHBondContact O-N 3.29Å; R246-L250 PolarHBondContact O-N 2.68Å; R246-L250 VanDerWaalsContact O-N 3.14Å |
| 247 | L | 98.7 | Very high | 98.2 | Very high | 78 Ų | 78 | 92.1 Ų | 92.1 | 41% | 0.408 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 177.5 | -70.1 | 172.9 | 0 | 0 | 0 | 111.5 | E243 E244 K249 L250 I251 | E243-L247 HydrophobicContact CG-CD1 4.41Å; E243-L247 WeakPolarHBondContact O-CG 3.36Å; E243-L247 PolarHBondContact O-N 3.39Å; E244-L247 PolarHBondContact O-N 2.97Å; L247-K249 VanDerWaalsContact C-N 3.32Å; L247-K249 PolarHBondContact O-N 3.25Å; L247-L250 WeakPolarHBondContact O-CB 3Å; L247-L250 PolarHBondContact O-N 2.91Å; L247-I251 WeakPolarHBondContact O-CG1 3.27Å; L247-I251 PolarHBondContact O-N 2.77Å |
| 248 | E | 98.6 | Very high | 98.1 | Very high | 93 Ų | 93 | 91.9 Ų | 91.9 | 44% | 0.435 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.4 | -44 | 176.9 | -177.3 | 56.6 | -146.1 | 0 | 0 | 111.4 | E244 L250 I251 Q252 | E244-E248 WeakPolarHBondContact O-CB 3.16Å; E244-E248 PolarHBondContact O-N 2.94Å; E248-L250 VanDerWaalsContact C-N 3.31Å; E248-L250 PolarHBondContact O-N 3.04Å; E248-I251 PolarHBondContact O-N 2.95Å; E248-Q252 WeakPolarHBondContact O-CB 3.49Å; E248-Q252 VanDerWaalsContact O-CG 3.26Å; E248-Q252 WeakPolarHBondContact O-CG 3.46Å; E248-Q252 PolarHBondContact O-N 3.26Å; E248-Q252 PolarHBondContact OE1-NE2 3.41Å |
| 249 | K | 98.4 | Very high | 97.9 | Very high | 117 Ų | 117 | 93.9 Ų | 93.9 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.6 | -39 | 174.8 | -72.9 | 166.6 | -173.6 | 160.4 | 0 | 112.4 | Q245 R246 L247 R253 | Q245-K249 VanDerWaalsContact O-CG 3.3Å; Q245-K249 WeakPolarHBondContact O-CG 3.38Å; Q245-K249 PolarHBondContact O-N 3.48Å; Q245-K249 VanDerWaalsContact O-N 3.15Å; R246-K249 PolarHBondContact O-N 3.29Å; L247-K249 VanDerWaalsContact C-N 3.32Å; L247-K249 PolarHBondContact O-N 3.25Å; K249-R253 WeakPolarHBondContact O-CB 3.46Å; K249-R253 PolarHBondContact O-N 2.88Å |
| 250 | L | 98.5 | Very high | 97.7 | Very high | 92 Ų | 92 | 95.9 Ų | 95.9 | 48% | 0.482 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.4 | -42.6 | 177.5 | -70.9 | -179 | 0 | 0 | 0 | 112.2 | R246 L247 E248 Q252 R253 C254 | R246-L250 PolarHBondContact O-N 2.68Å; R246-L250 VanDerWaalsContact O-N 3.14Å; L247-L250 WeakPolarHBondContact O-CB 3Å; L247-L250 PolarHBondContact O-N 2.91Å; E248-L250 VanDerWaalsContact C-N 3.31Å; E248-L250 PolarHBondContact O-N 3.04Å; L250-Q252 VanDerWaalsContact C-N 3.33Å; L250-Q252 PolarHBondContact O-N 3.15Å; L250-R253 PolarHBondContact O-N 3.19Å; L250-C254 WeakPolarHBondContact O-CB 3.14Å; L250-C254 PolarHBondContact O-N 3.35Å |
| 251 | I | 98.5 | Very high | 97.5 | Very high | 96 Ų | 96 | 96.5 Ų | 96.5 | 49% | 0.492 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 176 | -68.6 | 167.2 | 0 | 0 | 0 | 109.9 | L247 E248 R253 C254 S255 | L247-I251 WeakPolarHBondContact O-CG1 3.27Å; L247-I251 PolarHBondContact O-N 2.77Å; E248-I251 PolarHBondContact O-N 2.95Å; I251-R253 PolarHBondContact O-N 3.14Å; I251-C254 PolarHBondContact O-N 3.45Å; I251-S255 VanDerWaalsContact O-CB 3.29Å; I251-S255 WeakPolarHBondContact O-CB 3.41Å; I251-S255 PolarHBondContact O-N 3Å; I251-S255 PolarHBondContact O-OG 2.98Å |
| 252 | Q | 98.5 | Very high | 97.1 | Very high | 109 Ų | 109 | 98 Ų | 98 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 176.2 | -73.1 | 176.7 | 11.3 | 0 | 0 | 111.9 | E248 L250 S255 L256 | E248-Q252 WeakPolarHBondContact O-CB 3.49Å; E248-Q252 VanDerWaalsContact O-CG 3.26Å; E248-Q252 WeakPolarHBondContact O-CG 3.46Å; E248-Q252 PolarHBondContact O-N 3.26Å; E248-Q252 PolarHBondContact OE1-NE2 3.41Å; L250-Q252 VanDerWaalsContact C-N 3.33Å; L250-Q252 PolarHBondContact O-N 3.15Å; Q252-S255 PolarHBondContact O-N 3.45Å; Q252-L256 WeakPolarHBondContact O-CB 3.47Å; Q252-L256 PolarHBondContact O-N 2.97Å |
| 253 | R | 98.4 | Very high | 96.7 | Very high | 137 Ų | 137 | 97.7 Ų | 97.7 | 52% | 0.517 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.9 | -49.6 | 178 | -179.5 | 65.8 | -157 | -170.4 | 6.1 | 111.5 | K249 L250 I251 S255 L256 D257 | K249-R253 WeakPolarHBondContact O-CB 3.46Å; K249-R253 PolarHBondContact O-N 2.88Å; L250-R253 PolarHBondContact O-N 3.19Å; I251-R253 PolarHBondContact O-N 3.14Å; R253-S255 VanDerWaalsContact C-N 3.34Å; R253-S255 PolarHBondContact O-N 3.27Å; R253-L256 WeakPolarHBondContact O-CB 3.28Å; R253-L256 PolarHBondContact O-N 2.83Å; R253-D257 IonicContact CZ-OD1 3.68Å; R253-D257 IonicContact CZ-OD2 3.63Å; R253-D257 IonicContact NE-OD1 2.57Å; R253-D257 PolarHBondContact NE-OD1 3.13Å; R253-D257 VanDerWaalsContact NE-OD1 3.08Å; R253-D257 IonicContact NE-OD2 2.76Å; R253-D257 PolarHBondContact NE-OD2 2.84Å; R253-D257 IonicContact NH2-OD1 3.18Å; R253-D257 PolarHBondContact NH2-OD1 3.03Å; R253-D257 IonicContact NH2-OD2 3.04Å; R253-D257 VanDerWaalsContact O-CG 3.26Å; R253-D257 PolarHBondContact O-N 3.27Å |
| 254 | C | 98.4 | Very high | 96.4 | Very high | 68 Ų | 68 | 98.3 Ų | 98.3 | 46% | 0.459 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 178.5 | -175.3 | 0 | 0 | 0 | 0 | 111.4 | L250 I251 L256 D257 I258 | L250-C254 WeakPolarHBondContact O-CB 3.14Å; L250-C254 PolarHBondContact O-N 3.35Å; I251-C254 PolarHBondContact O-N 3.45Å; C254-L256 VanDerWaalsContact C-N 3.3Å; C254-L256 PolarHBondContact O-N 2.82Å; C254-D257 PolarHBondContact O-N 3.11Å; C254-I258 WeakPolarHBondContact O-CG1 3.43Å; C254-I258 PolarHBondContact O-N 3.45Å |
| 255 | S | 97.9 | Very high | 95.8 | Very high | 67 Ų | 67 | 96.9 Ų | 96.9 | 47% | 0.469 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 177 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | I251 Q252 R253 K259 | I251-S255 VanDerWaalsContact O-CB 3.29Å; I251-S255 WeakPolarHBondContact O-CB 3.41Å; I251-S255 PolarHBondContact O-N 3Å; I251-S255 PolarHBondContact O-OG 2.98Å; Q252-S255 PolarHBondContact O-N 3.45Å; R253-S255 VanDerWaalsContact C-N 3.34Å; R253-S255 PolarHBondContact O-N 3.27Å; S255-K259 VanDerWaalsContact O-CB 3.26Å; S255-K259 WeakPolarHBondContact O-CB 3.49Å; S255-K259 PolarHBondContact O-N 2.92Å |
| 256 | L | 96.9 | Very high | 95.5 | Very high | 77 Ų | 77 | 93.4 Ų | 93.4 | 40% | 0.403 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66 | -43.6 | 175.8 | -177.6 | 64.4 | 0 | 0 | 0 | 111.5 | Q252 R253 C254 K259 Q260 | Q252-L256 WeakPolarHBondContact O-CB 3.47Å; Q252-L256 PolarHBondContact O-N 2.97Å; R253-L256 WeakPolarHBondContact O-CB 3.28Å; R253-L256 PolarHBondContact O-N 2.83Å; C254-L256 VanDerWaalsContact C-N 3.3Å; C254-L256 PolarHBondContact O-N 2.82Å; L256-K259 PolarHBondContact O-N 3.2Å; L256-Q260 HydrophobicContact CD1-CG 4.38Å; L256-Q260 HydrophobicContact CG-CG 4.49Å; L256-Q260 WeakPolarHBondContact O-CB 3.25Å; L256-Q260 VanDerWaalsContact O-CG 3.31Å; L256-Q260 WeakPolarHBondContact O-CG 3.5Å; L256-Q260 PolarHBondContact O-N 3.25Å |
| 257 | D | 96.4 | Very high | 95.1 | Very high | 62 Ų | 62 | 91 Ų | 91 | 33% | 0.332 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 179.6 | -69.4 | -28.5 | 0 | 0 | 0 | 110.9 | R253 C254 Q260 M261 | R253-D257 IonicContact CZ-OD1 3.68Å; R253-D257 IonicContact CZ-OD2 3.63Å; R253-D257 IonicContact NE-OD1 2.57Å; R253-D257 PolarHBondContact NE-OD1 3.13Å; R253-D257 VanDerWaalsContact NE-OD1 3.08Å; R253-D257 IonicContact NE-OD2 2.76Å; R253-D257 PolarHBondContact NE-OD2 2.84Å; R253-D257 IonicContact NH2-OD1 3.18Å; R253-D257 PolarHBondContact NH2-OD1 3.03Å; R253-D257 IonicContact NH2-OD2 3.04Å; R253-D257 VanDerWaalsContact O-CG 3.26Å; R253-D257 PolarHBondContact O-N 3.27Å; C254-D257 PolarHBondContact O-N 3.11Å; D257-Q260 PolarHBondContact O-N 2.79Å; D257-M261 WeakPolarHBondContact O-CB 3.49Å; D257-M261 PolarHBondContact O-N 2.86Å |
| 258 | I | 95.9 | Very high | 94.6 | Very high | 97 Ų | 97 | 93.4 Ų | 93.4 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 173.4 | -67.6 | 168.4 | 0 | 0 | 0 | 110.6 | C254 Q260 M261 S262 | C254-I258 WeakPolarHBondContact O-CG1 3.43Å; C254-I258 PolarHBondContact O-N 3.45Å; I258-Q260 PolarHBondContact O-N 3.48Å; I258-M261 PolarHBondContact O-N 3.37Å; I258-S262 WeakPolarHBondContact O-CB 3.42Å; I258-S262 PolarHBondContact O-N 3.1Å; I258-S262 PolarHBondContact O-OG 2.67Å |
| 259 | K | 94 | Very high | 94.2 | Very high | 108 Ų | 108 | 95.2 Ų | 95.2 | 47% | 0.47 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59 | -50.6 | 179.2 | -174.6 | 178.5 | -177.5 | -178.7 | 0 | 111.1 | S255 L256 M261 S262 E263 | S255-K259 VanDerWaalsContact O-CB 3.26Å; S255-K259 WeakPolarHBondContact O-CB 3.49Å; S255-K259 PolarHBondContact O-N 2.92Å; L256-K259 PolarHBondContact O-N 3.2Å; K259-M261 VanDerWaalsContact C-N 3.34Å; K259-M261 PolarHBondContact O-N 2.77Å; K259-S262 PolarHBondContact O-N 2.88Å; K259-S262 PolarHBondContact O-OG 3.26Å; K259-E263 WeakPolarHBondContact CE-OE1 3.48Å; K259-E263 WeakPolarHBondContact CE-OE2 3.45Å; K259-E263 VanDerWaalsContact CG-CD 3.42Å; K259-E263 HydrophobicContact CG-CG 4.15Å; K259-E263 WeakPolarHBondContact CG-OE1 3.42Å; K259-E263 WeakPolarHBondContact CG-OE2 3.34Å; K259-E263 IonicContact NZ-OE1 3.08Å; K259-E263 WeakPolarHBondContact O-CB 3.2Å; K259-E263 WeakPolarHBondContact O-CG 3.39Å; K259-E263 PolarHBondContact O-N 3.28Å |
| 260 | Q | 93.7 | Very high | 93.9 | Very high | 96 Ų | 96 | 97 Ų | 97 | 45% | 0.449 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.3 | -46.2 | 176.6 | -72.9 | 178.5 | 9 | 0 | 0 | 111.4 | L256 D257 I258 S262 L264 | L256-Q260 HydrophobicContact CD1-CG 4.38Å; L256-Q260 HydrophobicContact CG-CG 4.49Å; L256-Q260 WeakPolarHBondContact O-CB 3.25Å; L256-Q260 VanDerWaalsContact O-CG 3.31Å; L256-Q260 WeakPolarHBondContact O-CG 3.5Å; L256-Q260 PolarHBondContact O-N 3.25Å; D257-Q260 PolarHBondContact O-N 2.79Å; I258-Q260 PolarHBondContact O-N 3.48Å; Q260-S262 VanDerWaalsContact C-N 3.29Å; Q260-S262 PolarHBondContact O-N 2.79Å; Q260-L264 WeakPolarHBondContact O-CB 3.48Å; Q260-L264 VanDerWaalsContact O-CD1 3.31Å; Q260-L264 WeakPolarHBondContact O-CD1 3.08Å; Q260-L264 WeakPolarHBondContact O-CG 3.19Å; Q260-L264 PolarHBondContact O-N 3.46Å |
| 261 | M | 93.3 | Very high | 93.7 | Very high | 122 Ų | 122 | 96.4 Ų | 96.4 | 60% | 0.601 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.8 | -36.7 | 179 | -172.2 | 168.8 | 61.9 | 0 | 0 | 112.3 | D257 I258 K259 N267 | D257-M261 WeakPolarHBondContact O-CB 3.49Å; D257-M261 PolarHBondContact O-N 2.86Å; I258-M261 PolarHBondContact O-N 3.37Å; K259-M261 VanDerWaalsContact C-N 3.34Å; K259-M261 PolarHBondContact O-N 2.77Å; M261-N267 VanDerWaalsContact O-CB 3.23Å; M261-N267 WeakPolarHBondContact O-CB 3.26Å; M261-N267 PolarHBondContact O-ND2 2.82Å |
| 262 | S | 91.4 | Very high | 93.4 | Very high | 64 Ų | 64 | 99.3 Ų | 99.3 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -79 | -37 | -179.6 | 70 | 0 | 0 | 0 | 0 | 114.4 | I258 K259 Q260 Q268 | I258-S262 WeakPolarHBondContact O-CB 3.42Å; I258-S262 PolarHBondContact O-N 3.1Å; I258-S262 PolarHBondContact O-OG 2.67Å; K259-S262 PolarHBondContact O-N 2.88Å; K259-S262 PolarHBondContact O-OG 3.26Å; Q260-S262 VanDerWaalsContact C-N 3.29Å; Q260-S262 PolarHBondContact O-N 2.79Å; S262-Q268 PolarHBondContact O-OE1 3.31Å |
| 263 | E | 90.1 | Very high | 93.1 | Very high | 123 Ų | 123 | 100.3 Ų | 100.3 | 58% | 0.575 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -88 | -13.9 | -174.3 | -68.1 | 179.6 | 170.7 | 0 | 0 | 113.3 | K259 P265 | K259-E263 WeakPolarHBondContact CE-OE1 3.48Å; K259-E263 WeakPolarHBondContact CE-OE2 3.45Å; K259-E263 VanDerWaalsContact CG-CD 3.42Å; K259-E263 HydrophobicContact CG-CG 4.15Å; K259-E263 WeakPolarHBondContact CG-OE1 3.42Å; K259-E263 WeakPolarHBondContact CG-OE2 3.34Å; K259-E263 IonicContact NZ-OE1 3.08Å; K259-E263 WeakPolarHBondContact O-CB 3.2Å; K259-E263 WeakPolarHBondContact O-CG 3.39Å; K259-E263 PolarHBondContact O-N 3.28Å; E263-P265 VanDerWaalsContact O-CD 3.29Å; E263-P265 WeakPolarHBondContact O-CD 3.41Å |
| 264 | L | 91.1 | Very high | 92.9 | Very high | 92 Ų | 92 | 96.3 Ų | 96.3 | 48% | 0.482 | 51% | 0.509 | S | S | . | . | trans | -63.7 | 119.3 | 175.7 | -82.7 | 168.1 | 0 | 0 | 0 | 110.2 | Q260 G266 N267 Q268 | Q260-L264 WeakPolarHBondContact O-CB 3.48Å; Q260-L264 VanDerWaalsContact O-CD1 3.31Å; Q260-L264 WeakPolarHBondContact O-CD1 3.08Å; Q260-L264 WeakPolarHBondContact O-CG 3.19Å; Q260-L264 PolarHBondContact O-N 3.46Å; L264-G266 PolarHBondContact O-N 3.49Å; L264-N267 HydrophobicContact CB-CB 4.36Å; L264-N267 PolarHBondContact O-N 3.11Å; L264-Q268 PolarHBondContact O-N 3.36Å | ||
| 265 | P | 87 | Confident | 92.3 | Very high | 111 Ų | 111 | 96.5 Ų | 96.5 | 72% | 0.721 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.6 | -28.1 | -176.4 | -25.4 | 33.7 | 0 | 0 | 0 | 113.7 | E263 N267 | E263-P265 VanDerWaalsContact O-CD 3.29Å; E263-P265 WeakPolarHBondContact O-CD 3.41Å; P265-N267 VanDerWaalsContact C-N 3.29Å; P265-N267 PolarHBondContact O-N 3.16Å |
| 266 | G | 90.5 | Very high | 91.9 | Very high | 40 Ų | 40 | 98.5 Ų | 98.5 | 41% | 0.412 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.9 | -26.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | L264 K269 Y270 | L264-G266 PolarHBondContact O-N 3.49Å; G266-K269 WeakPolarHBondContact O-CE 3.39Å; G266-K269 WeakPolarHBondContact O-CG 3.42Å; G266-Y270 VanDerWaalsContact O-CD2 3.29Å; G266-Y270 WeakPolarHBondContact O-CD2 3.5Å |
| 267 | N | 90.8 | Very high | 91.6 | Very high | 63 Ų | 63 | 98.2 Ų | 98.2 | 34% | 0.337 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -91 | -31 | -178.4 | -66.4 | -6.7 | 0 | 0 | 0 | 111.8 | M261 L264 P265 K269 Y270 A271 | M261-N267 VanDerWaalsContact O-CB 3.23Å; M261-N267 WeakPolarHBondContact O-CB 3.26Å; M261-N267 PolarHBondContact O-ND2 2.82Å; L264-N267 HydrophobicContact CB-CB 4.36Å; L264-N267 PolarHBondContact O-N 3.11Å; P265-N267 VanDerWaalsContact C-N 3.29Å; P265-N267 PolarHBondContact O-N 3.16Å; N267-K269 PolarHBondContact O-N 2.66Å; N267-K269 VanDerWaalsContact O-N 3.1Å; N267-Y270 PolarHBondContact O-N 2.75Å; N267-A271 PolarHBondContact O-N 3.22Å; N267-A271 VanDerWaalsContact O-N 3.13Å |
| 268 | Q | 88.5 | Confident | 91.3 | Very high | 127 Ų | 127 | 96.9 Ų | 96.9 | 59% | 0.593 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -53 | -36.5 | -179.9 | -162 | 83.5 | 47.5 | 0 | 0 | 112.6 | S262 L264 Y270 A271 | S262-Q268 PolarHBondContact O-OE1 3.31Å; L264-Q268 PolarHBondContact O-N 3.36Å; Q268-Y270 VanDerWaalsContact C-N 3.27Å; Q268-Y270 PolarHBondContact O-N 2.93Å; Q268-A271 PolarHBondContact O-N 2.89Å |
| 269 | K | 90.7 | Very high | 90.8 | Very high | 131 Ų | 131 | 96.8 Ų | 96.8 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -16.8 | 179 | 73.4 | -174.5 | -174.5 | 168.9 | 0 | 114.4 | G266 N267 Y272 | G266-K269 WeakPolarHBondContact O-CE 3.39Å; G266-K269 WeakPolarHBondContact O-CG 3.42Å; N267-K269 PolarHBondContact O-N 2.66Å; N267-K269 VanDerWaalsContact O-N 3.1Å; K269-Y272 WeakPolarHBondContact O-CD1 3.25Å; K269-Y272 WeakPolarHBondContact O-CE1 3.41Å |
| 270 | Y | 91.9 | Very high | 90.6 | Very high | 155 Ų | 155 | 97.6 Ų | 97.6 | 61% | 0.608 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | -4.6 | 178.7 | -58.7 | -60.5 | 0 | 0 | 0 | 112.6 | G266 N267 Q268 Y272 | G266-Y270 VanDerWaalsContact O-CD2 3.29Å; G266-Y270 WeakPolarHBondContact O-CD2 3.5Å; N267-Y270 PolarHBondContact O-N 2.75Å; Q268-Y270 VanDerWaalsContact C-N 3.27Å; Q268-Y270 PolarHBondContact O-N 2.93Å; Y270-Y272 PolarHBondContact O-N 3.27Å |
| 271 | A | 92.8 | Very high | 90.4 | Very high | 80 Ų | 80 | 97.3 Ų | 97.3 | 66% | 0.661 | 50% | 0.497 | S | S | * | . | trans | -81.4 | 63.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | N267 Q268 | N267-A271 PolarHBondContact O-N 3.22Å; N267-A271 VanDerWaalsContact O-N 3.13Å; Q268-A271 PolarHBondContact O-N 2.89Å | ||
| 272 | Y | 92.5 | Very high | 90.1 | Very high | 157 Ų | 157 | 93.5 Ų | 93.5 | 62% | 0.616 | 49% | 0.489 | S | S | * | . | trans | -134.6 | 161.7 | 174.4 | 66.7 | -94.1 | 0 | 0 | 0 | 110.5 | K269 Y270 T274 | K269-Y272 WeakPolarHBondContact O-CD1 3.25Å; K269-Y272 WeakPolarHBondContact O-CE1 3.41Å; Y270-Y272 PolarHBondContact O-N 3.27Å; Y272-T274 HydrophobicContact CD2-CG2 4.23Å; Y272-T274 HydrophobicContact CE2-CG2 3.88Å | ||
| 273 | I | 93.8 | Very high | 90 | Very high | 129 Ų | 129 | 94.6 Ų | 94.6 | 66% | 0.662 | 50% | 0.496 | S | S | * | . | trans | -123.3 | 138.7 | 174.8 | -57.8 | 174.5 | 0 | 0 | 0 | 106.7 | D277 I278 | I273-D277 HydrophobicContact CG2-CB 3.7Å; I273-I278 HydrophobicContact CG2-CD1 4.47Å; I273-I278 HydrophobicContact CG2-CG1 3.93Å | ||
| 274 | T | 92.4 | Very high | 89.9 | Confident | 53 Ų | 53 | 90.9 Ų | 90.9 | 33% | 0.325 | 48% | 0.48 | S | S | . | . | trans | -88.4 | 159.4 | 177.9 | 74 | 0 | 0 | 0 | 0 | 111.1 | Y272 Q276 D277 I278 | Y272-T274 HydrophobicContact CD2-CG2 4.23Å; Y272-T274 HydrophobicContact CE2-CG2 3.88Å; T274-Q276 PolarHBondContact O-N 2.8Å; T274-Q276 PolarHBondContact OG1-N 2.83Å; T274-D277 WeakPolarHBondContact CB-OD2 3.27Å; T274-D277 PolarHBondContact N-OD2 3.14Å; T274-D277 WeakPolarHBondContact O-CB 3.37Å; T274-D277 PolarHBondContact O-N 2.95Å; T274-D277 VanDerWaalsContact O-N 3.13Å; T274-D277 PolarHBondContact OG1-N 3.44Å; T274-D277 PolarHBondContact OG1-OD1 3.28Å; T274-D277 PolarHBondContact OG1-OD2 3.09Å; T274-I278 PolarHBondContact O-N 3.02Å | ||
| 275 | Y | 86.7 | Confident | 89.4 | Confident | 73 Ų | 73 | 94.6 Ų | 94.6 | 29% | 0.286 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.6 | -37.2 | 172.8 | 170.9 | -92.8 | 0 | 0 | 0 | 111.9 | D277 I278 K279 C325 P326 | Y275-D277 VanDerWaalsContact C-N 3.28Å; Y275-D277 PolarHBondContact O-N 3.26Å; Y275-I278 PolarHBondContact O-N 3.37Å; Y275-K279 HydrophobicContact CE1-CB 4.47Å; Y275-K279 HydrophobicContact CE1-CD 3.93Å; Y275-K279 PolarHBondContact O-N 3.17Å; Y275-C325 HydrophobicContact CD2-CB 4.04Å; Y275-C325 HydrophobicContact CE2-CB 3.74Å; Y275-P326 HydrophobicContact CE2-CG 4.14Å; Y275-P326 WeakPolarHBondContact CE2-O 3.49Å; Y275-P326 VanDerWaalsContact CZ-O 3.29Å; Y275-P326 PolarHBondContact OH-O 2.91Å |
| 276 | Q | 88.6 | Confident | 89.3 | Confident | 109 Ų | 109 | 97 Ų | 97 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -31.7 | 178.7 | -174.3 | 57.1 | 31.5 | 0 | 0 | 112.3 | T274 Q280 | T274-Q276 PolarHBondContact O-N 2.8Å; T274-Q276 PolarHBondContact OG1-N 2.83Å; Q276-Q280 VanDerWaalsContact O-CG 3.25Å; Q276-Q280 WeakPolarHBondContact O-CG 3.21Å; Q276-Q280 PolarHBondContact O-N 3.04Å; Q276-Q280 VanDerWaalsContact O-N 3.17Å; Q276-Q280 PolarHBondContact O-NE2 3.32Å |
| 277 | D | 91.7 | Very high | 89.2 | Confident | 71 Ų | 71 | 100.4 Ų | 100.4 | 38% | 0.38 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.2 | -39.6 | 176.2 | -55.7 | -40.4 | 0 | 0 | 0 | 111.3 | I273 T274 Y275 Q280 | I273-D277 HydrophobicContact CG2-CB 3.7Å; T274-D277 WeakPolarHBondContact CB-OD2 3.27Å; T274-D277 PolarHBondContact N-OD2 3.14Å; T274-D277 WeakPolarHBondContact O-CB 3.37Å; T274-D277 PolarHBondContact O-N 2.95Å; T274-D277 VanDerWaalsContact O-N 3.13Å; T274-D277 PolarHBondContact OG1-N 3.44Å; T274-D277 PolarHBondContact OG1-OD1 3.28Å; T274-D277 PolarHBondContact OG1-OD2 3.09Å; Y275-D277 VanDerWaalsContact C-N 3.28Å; Y275-D277 PolarHBondContact O-N 3.26Å; D277-Q280 PolarHBondContact O-N 3.42Å |
| 278 | I | 90.6 | Very high | 89.2 | Confident | 34 Ų | 34 | 102.2 Ų | 102.2 | 17% | 0.174 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 177 | -60.4 | 172.1 | 0 | 0 | 0 | 110.3 | I273 T274 Y275 Q280 L281 L284 V289 V291 | I273-I278 HydrophobicContact CG2-CD1 4.47Å; I273-I278 HydrophobicContact CG2-CG1 3.93Å; T274-I278 PolarHBondContact O-N 3.02Å; Y275-I278 PolarHBondContact O-N 3.37Å; I278-Q280 VanDerWaalsContact C-N 3.31Å; I278-Q280 PolarHBondContact O-N 3.42Å; I278-L281 VanDerWaalsContact O-CB 3.26Å; I278-L281 WeakPolarHBondContact O-CB 3.37Å; I278-L281 WeakPolarHBondContact O-CG 3.47Å; I278-L281 PolarHBondContact O-N 3.08Å; I278-L281 VanDerWaalsContact O-N 3.15Å; I278-L284 HydrophobicContact CG2-CD1 3.99Å; I278-V289 HydrophobicContact CG2-CG1 4.09Å; I278-V291 HydrophobicContact CD1-CG2 4.1Å |
| 279 | K | 84.8 | Confident | 89.3 | Confident | 94 Ų | 94 | 97.5 Ų | 97.5 | 41% | 0.409 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.3 | -28 | 179.9 | -171 | 171.9 | -175.7 | 169.3 | 0 | 113.7 | Y275 L281 | Y275-K279 HydrophobicContact CE1-CB 4.47Å; Y275-K279 HydrophobicContact CE1-CD 3.93Å; Y275-K279 PolarHBondContact O-N 3.17Å; K279-L281 PolarHBondContact O-N 3.14Å |
| 280 | Q | 88.9 | Confident | 89.4 | Confident | 125 Ų | 125 | 95.5 Ų | 95.5 | 58% | 0.584 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -16.6 | 174.2 | -79.3 | 170.6 | 66.4 | 0 | 0 | 112.8 | Q276 D277 I278 G282 | Q276-Q280 VanDerWaalsContact O-CG 3.25Å; Q276-Q280 WeakPolarHBondContact O-CG 3.21Å; Q276-Q280 PolarHBondContact O-N 3.04Å; Q276-Q280 VanDerWaalsContact O-N 3.17Å; Q276-Q280 PolarHBondContact O-NE2 3.32Å; D277-Q280 PolarHBondContact O-N 3.42Å; I278-Q280 VanDerWaalsContact C-N 3.31Å; I278-Q280 PolarHBondContact O-N 3.42Å; Q280-G282 PolarHBondContact O-N 3.45Å |
| 281 | L | 89.8 | Confident | 89.5 | Confident | 91 Ų | 91 | 90.5 Ų | 90.5 | 48% | 0.476 | 47% | 0.473 | S | S | . | . | trans | -69 | 108 | 175.1 | -61.8 | 172.4 | 0 | 0 | 0 | 109.3 | I278 K279 S283 L284 | I278-L281 VanDerWaalsContact O-CB 3.26Å; I278-L281 WeakPolarHBondContact O-CB 3.37Å; I278-L281 WeakPolarHBondContact O-CG 3.47Å; I278-L281 PolarHBondContact O-N 3.08Å; I278-L281 VanDerWaalsContact O-N 3.15Å; K279-L281 PolarHBondContact O-N 3.14Å; L281-S283 PolarHBondContact O-N 2.83Å; L281-L284 HydrophobicContact CB-CB 4.45Å; L281-L284 HydrophobicContact CB-CD1 4.11Å; L281-L284 HydrophobicContact CB-CG 4.19Å; L281-L284 HydrophobicContact CD1-CD1 3.74Å; L281-L284 PolarHBondContact O-N 3.3Å | ||
| 282 | G | 87 | Confident | 89.6 | Confident | 42 Ų | 42 | 90 Ų | 90 | 43% | 0.433 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -56.6 | -25.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q280 L284 R285 | Q280-G282 PolarHBondContact O-N 3.45Å; G282-L284 VanDerWaalsContact C-N 3.35Å; G282-R285 PolarHBondContact O-NE 3.13Å |
| 283 | S | 89.9 | Confident | 89.7 | Confident | 86 Ų | 86 | 88.5 Ų | 88.5 | 60% | 0.601 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -74.8 | -16.4 | 177.6 | 53.8 | 0 | 0 | 0 | 0 | 114.7 | L281 Q287 | L281-S283 PolarHBondContact O-N 2.83Å; S283-Q287 PolarHBondContact O-NE2 3.16Å |
| 284 | L | 87.6 | Confident | 89.9 | Confident | 46 Ų | 46 | 84.5 Ų | 84.5 | 24% | 0.241 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -110.7 | 1.4 | -173.5 | -59.1 | -178.9 | 0 | 0 | 0 | 113.9 | I278 L281 G282 D286 Q287 V289 | I278-L284 HydrophobicContact CG2-CD1 3.99Å; L281-L284 HydrophobicContact CB-CB 4.45Å; L281-L284 HydrophobicContact CB-CD1 4.11Å; L281-L284 HydrophobicContact CB-CG 4.19Å; L281-L284 HydrophobicContact CD1-CD1 3.74Å; L281-L284 PolarHBondContact O-N 3.3Å; G282-L284 VanDerWaalsContact C-N 3.35Å; L284-D286 VanDerWaalsContact C-N 3.32Å; L284-D286 PolarHBondContact O-N 3.43Å; L284-Q287 PolarHBondContact O-N 3.48Å; L284-V289 HydrophobicContact CB-CG2 4Å; L284-V289 HydrophobicContact CD1-CG2 4.13Å; L284-V289 HydrophobicContact CD2-CG2 4.41Å; L284-V289 HydrophobicContact CG-CG2 4.41Å |
| 285 | R | 81.5 | Confident | 90 | Very high | 169 Ų | 169 | 83.8 Ų | 83.8 | 64% | 0.638 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -33.8 | -169.7 | -74.4 | -175.9 | -76.9 | -172.3 | -6.1 | 115 | G282 | G282-R285 PolarHBondContact O-NE 3.13Š|
| 286 | D | 84.9 | Confident | 90.4 | Very high | 161 Ų | 161 | 85.2 Ų | 85.2 | 86% | 0.861 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | 24.5 | -177.9 | -51.2 | -45.9 | 0 | 0 | 0 | 111.8 | L284 | L284-D286 VanDerWaalsContact C-N 3.32Å; L284-D286 PolarHBondContact O-N 3.43Å |
| 287 | Q | 88.4 | Confident | 90.7 | Very high | 113 Ų | 113 | 86 Ų | 86 | 53% | 0.528 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -121.9 | 139.5 | -176.8 | -61 | -173.7 | 20.8 | 0 | 0 | 111 | S283 L284 V289 | S283-Q287 PolarHBondContact O-NE2 3.16Å; L284-Q287 PolarHBondContact O-N 3.48Å; Q287-V289 PolarHBondContact O-N 3.3Å |
| 288 | T | 89.3 | Confident | 90.9 | Very high | 101 Ų | 101 | 84.2 Ų | 84.2 | 62% | 0.62 | 46% | 0.456 | S | S | * | . | trans | -69.1 | 112.2 | 170.5 | -55.6 | 0 | 0 | 0 | 0 | 109.9 | L324 | T288-L324 HydrophobicContact CG2-CD1 3.58Š| ||
| 289 | V | 92.3 | Very high | 91.2 | Very high | 28 Ų | 28 | 88.2 Ų | 88.2 | 17% | 0.17 | 47% | 0.473 | C | S | . | . | trans | -95.7 | 122.9 | -178.5 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | I278 L284 Q287 V291 C325 | I278-V289 HydrophobicContact CG2-CG1 4.09Å; L284-V289 HydrophobicContact CB-CG2 4Å; L284-V289 HydrophobicContact CD1-CG2 4.13Å; L284-V289 HydrophobicContact CD2-CG2 4.41Å; L284-V289 HydrophobicContact CG-CG2 4.41Å; Q287-V289 PolarHBondContact O-N 3.3Å; V289-V291 HydrophobicContact CG1-CG2 4.32Å; V289-C325 HydrophobicContact CB-CB 3.9Å; V289-C325 HydrophobicContact CG1-CB 4.46Å; V289-C325 WeakPolarHBondContact O-CB 3.39Å; V289-C325 PolarHBondContact O-N 3.21Å | ||
| 290 | I | 92.5 | Very high | 91.7 | Very high | 88 Ų | 88 | 89.1 Ų | 89.1 | 45% | 0.451 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 116.7 | 174.6 | -56.6 | 174.1 | 0 | 0 | 0 | 108.4 | V292 V322 L324 | I290-V292 HydrophobicContact CG2-CG2 4.24Å; I290-V322 HydrophobicContact CG2-CG1 3.41Å; I290-V322 VanDerWaalsContact CG2-CG1 3.41Å; I290-L324 HydrophobicContact CG1-CD1 4.08Å |
| 291 | V | 93.8 | Very high | 91.9 | Very high | 51 Ų | 51 | 87.1 Ų | 87.1 | 31% | 0.309 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 121.1 | 176.8 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | I278 V289 V322 L323 | I278-V291 HydrophobicContact CD1-CG2 4.1Å; V289-V291 HydrophobicContact CG1-CG2 4.32Å; V291-V322 WeakPolarHBondContact O-CA 3.4Å; V291-L323 HydrophobicContact CB-CB 4.27Å; V291-L323 PolarHBondContact N-O 3.42Å; V291-L323 PolarHBondContact O-N 3.24Å |
| 292 | V | 95.3 | Very high | 92.2 | Very high | 68 Ų | 68 | 87.4 Ų | 87.4 | 41% | 0.412 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 121.9 | 179.5 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | I290 A294 L313 I320 V322 | I290-V292 HydrophobicContact CG2-CG2 4.24Å; V292-A294 HydrophobicContact CG1-CB 4.42Å; V292-L313 HydrophobicContact CG1-CD1 3.71Å; V292-L313 HydrophobicContact CG2-CD1 4.26Å; V292-I320 HydrophobicContact CG1-CG2 3.79Å; V292-V322 HydrophobicContact CG2-CG1 4.46Å; V292-V322 HydrophobicContact CG2-CG2 4.45Å |
| 293 | K | 94.9 | Very high | 92.4 | Very high | 127 Ų | 127 | 87 Ų | 87 | 55% | 0.552 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113 | 109.3 | 171.2 | 173.6 | 176.8 | 161.4 | -141.8 | 0 | 108.7 | E321 | K293-E321 HydrophobicContact CB-CB 4.17Å; K293-E321 WeakPolarHBondContact CD-OE2 3.48Å; K293-E321 WeakPolarHBondContact CE-OE2 3.42Å; K293-E321 PolarHBondContact N-O 3.29Å; K293-E321 IonicContact NZ-OE1 2.99Å; K293-E321 IonicContact NZ-OE2 3.32Å; K293-E321 PolarHBondContact NZ-OE2 2.89Å; K293-E321 PolarHBondContact O-N 3.35Å |
| 294 | A | 96.1 | Very high | 92.5 | Very high | 44 Ų | 44 | 87 Ų | 87 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | trans | -122.5 | 151.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V292 T298 I320 | V292-A294 HydrophobicContact CG1-CB 4.42Å; A294-T298 HydrophobicContact CB-CG2 3.8Å; A294-T298 WeakPolarHBondContact CB-OG1 3.28Å; A294-I320 HydrophobicContact CB-CG1 4.18Å; A294-I320 HydrophobicContact CB-CG2 3.99Å | ||
| 295 | P | 96.3 | Very high | 92.6 | Very high | 38 Ų | 38 | 89 Ų | 89 | 25% | 0.247 | 48% | 0.476 | C | S | . | . | trans | -59.8 | 162.6 | 170.9 | -22.9 | 34.5 | 0 | 0 | 0 | 112.6 | T298 K317 P319 | P295-T298 WeakPolarHBondContact O-CB 3.42Å; P295-T298 PolarHBondContact O-N 3.45Å; P295-T298 PolarHBondContact O-OG1 3.29Å; P295-K317 HydrophobicContact CB-CB 4.08Å; P295-P319 WeakPolarHBondContact CD-O 3.49Å | ||
| 296 | T | 93.9 | Very high | 92.9 | Very high | 104 Ų | 104 | 88.2 Ų | 88.2 | 64% | 0.638 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 147.5 | 173.4 | 54.1 | 0 | 0 | 0 | 0 | 111.1 | T298 K317 | T296-T298 PolarHBondContact O-N 3.39Å; T296-K317 WeakPolarHBondContact O-CD 3.19Å |
| 297 | D | 94.6 | Very high | 93 | Very high | 125 Ų | 125 | 88.3 Ų | 88.3 | 67% | 0.668 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 24.6 | -175.7 | -49.9 | -24.9 | 0 | 0 | 0 | 114.6 | K299 K317 | D297-K299 PolarHBondContact O-N 3.43Å; D297-K317 VanDerWaalsContact OD2-CE 3.24Å; D297-K317 WeakPolarHBondContact OD2-CE 3.34Å; D297-K317 IonicContact OD2-NZ 3.73Å; D297-K317 PolarHBondContact OD2-NZ 2.93Å |
| 298 | T | 96.6 | Very high | 92.6 | Very high | 34 Ų | 34 | 85.2 Ų | 85.2 | 21% | 0.209 | 47% | 0.47 | C | S | . | . | trans | -68.3 | 127.8 | 166.3 | -61.9 | 0 | 0 | 0 | 0 | 109.6 | A294 P295 T296 I320 | A294-T298 HydrophobicContact CB-CG2 3.8Å; A294-T298 WeakPolarHBondContact CB-OG1 3.28Å; P295-T298 WeakPolarHBondContact O-CB 3.42Å; P295-T298 PolarHBondContact O-N 3.45Å; P295-T298 PolarHBondContact O-OG1 3.29Å; T296-T298 PolarHBondContact O-N 3.39Å; T298-I320 HydrophobicContact CG2-CD1 3.74Å; T298-I320 HydrophobicContact CG2-CG1 4.48Å | ||
| 299 | K | 96.2 | Very high | 92.6 | Very high | 118 Ų | 118 | 88.6 Ų | 88.6 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 130.8 | 175.6 | -163.6 | -174.5 | -169.3 | -173.4 | 0 | 109.7 | D297 E301 L313 S314 | D297-K299 PolarHBondContact O-N 3.43Å; K299-E301 HydrophobicContact CD-CG 4.1Å; K299-E301 WeakPolarHBondContact CD-OE1 3.25Å; K299-E301 WeakPolarHBondContact CE-OE1 3.32Å; K299-E301 HydrophobicContact CG-CG 4.19Å; K299-E301 IonicContact NZ-OE1 3.8Å; K299-E301 PolarHBondContact NZ-OE1 3.11Å; K299-L313 WeakPolarHBondContact O-CA 3.36Å; K299-S314 WeakPolarHBondContact CB-OG 3.48Å; K299-S314 PolarHBondContact N-O 3.41Å; K299-S314 PolarHBondContact O-N 2.92Å |
| 300 | L | 95.5 | Very high | 92.5 | Very high | 113 Ų | 113 | 88.7 Ų | 88.7 | 59% | 0.592 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 120 | 172.2 | -178.2 | 154.9 | 0 | 0 | 0 | 108 | V302 I311 H312 L313 | L300-V302 HydrophobicContact CD2-CG2 3.67Å; L300-I311 HydrophobicContact CG-CG2 4.36Å; L300-H312 WeakPolarHBondContact CA-O 3.49Å; L300-L313 HydrophobicContact CB-CD2 3.83Å; L300-L313 HydrophobicContact CD1-CD2 3.81Å; L300-L313 HydrophobicContact CG-CD2 3.77Å |
| 301 | E | 94.8 | Very high | 92.6 | Very high | 83 Ų | 83 | 90.1 Ų | 90.1 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 133.3 | 175.5 | -61.6 | 179.6 | 164 | 0 | 0 | 109.5 | K299 H312 | K299-E301 HydrophobicContact CD-CG 4.1Å; K299-E301 WeakPolarHBondContact CD-OE1 3.25Å; K299-E301 WeakPolarHBondContact CE-OE1 3.32Å; K299-E301 HydrophobicContact CG-CG 4.19Å; K299-E301 IonicContact NZ-OE1 3.8Å; K299-E301 PolarHBondContact NZ-OE1 3.11Å; E301-H312 HydrophobicContact CB-CB 4.24Å; E301-H312 PolarHBondContact N-O 3.48Å; E301-H312 PolarHBondContact O-N 3.31Å |
| 302 | V | 94.8 | Very high | 92.6 | Very high | 97 Ų | 97 | 91.8 Ų | 91.8 | 59% | 0.588 | 50% | 0.497 | S | S | * | . | trans | -123.1 | 106.7 | 173.9 | -175.7 | 0 | 0 | 0 | 0 | 106.3 | L300 I311 | L300-V302 HydrophobicContact CD2-CG2 3.67Å; V302-I311 HydrophobicContact CG2-CG1 4.47Å | ||
| 303 | P | 92.2 | Very high | 92.6 | Very high | 32 Ų | 32 | 91.2 Ų | 91.2 | 21% | 0.208 | 49% | 0.492 | C | S | . | . | trans | -61 | 163.2 | 173.2 | -22.2 | 35.1 | 0 | 0 | 0 | 111.7 | S310 | P303-S310 VanDerWaalsContact CD-O 3.26Å; P303-S310 WeakPolarHBondContact CD-O 3.28Å | ||
| 304 | D | 90.6 | Very high | 92.6 | Very high | 86 Ų | 86 | 88.3 Ų | 88.3 | 46% | 0.46 | 49% | 0.488 | S | S | . | . | trans | -59.3 | 136.8 | 173.8 | -166.4 | -62.8 | 0 | 0 | 0 | 109.7 | D306 E307 S308 | D304-D306 PolarHBondContact O-N 3.16Å; D304-D306 VanDerWaalsContact O-N 3.1Å; D304-D306 WeakPolarHBondContact OD1-CB 3.12Å; D304-D306 PolarHBondContact OD1-N 3.42Å; D304-E307 HydrophobicContact CB-CG 4.32Å; D304-E307 PolarHBondContact O-N 3.09Å; D304-S308 PolarHBondContact O-N 3.49Å; D304-S308 VanDerWaalsContact O-N 3.11Å | ||
| 305 | P | 89.6 | Confident | 92.6 | Very high | 88 Ų | 88 | 87.9 Ų | 87.9 | 57% | 0.571 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -26.1 | 178.5 | 22.9 | -36.3 | 0 | 0 | 0 | 114 | E307 L309 | P305-E307 VanDerWaalsContact C-N 3.3Å; P305-L309 HydrophobicContact CB-CD2 4.44Å |
| 306 | D | 89 | Confident | 92.5 | Very high | 154 Ų | 154 | 92.3 Ų | 92.3 | 82% | 0.824 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -24.2 | 176.2 | -70.3 | -19.2 | 0 | 0 | 0 | 112.6 | D304 | D304-D306 PolarHBondContact O-N 3.16Å; D304-D306 VanDerWaalsContact O-N 3.1Å; D304-D306 WeakPolarHBondContact OD1-CB 3.12Å; D304-D306 PolarHBondContact OD1-N 3.42Å |
| 307 | E | 85.8 | Confident | 92.5 | Very high | 162 Ų | 162 | 92.9 Ų | 92.9 | 76% | 0.757 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -53.2 | 177.7 | -64.8 | -174.4 | 171.9 | 0 | 0 | 111.6 | D304 P305 | D304-E307 HydrophobicContact CB-CG 4.32Å; D304-E307 PolarHBondContact O-N 3.09Å; P305-E307 VanDerWaalsContact C-N 3.3Å |
| 308 | S | 81.9 | Confident | 92.5 | Very high | 48 Ų | 48 | 88.3 Ų | 88.3 | 34% | 0.336 | 48% | 0.484 | S | S | . | . | trans | -168.1 | 133.9 | 176.9 | 59.9 | 0 | 0 | 0 | 0 | 112.3 | D304 S310 | D304-S308 PolarHBondContact O-N 3.49Å; D304-S308 VanDerWaalsContact O-N 3.11Å; S308-S310 PolarHBondContact O-N 3.12Å; S308-S310 PolarHBondContact OG-OG 2.82Å | ||
| 309 | L | 89 | Confident | 92.4 | Very high | 172 Ų | 172 | 92 Ų | 92 | 90% | 0.901 | 51% | 0.509 | S | S | * | . | trans | -77.9 | 72.4 | 167.7 | -73.6 | 151.8 | 0 | 0 | 0 | 110.3 | P305 | P305-L309 HydrophobicContact CB-CD2 4.44Š| ||
| 310 | S | 90.4 | Very high | 92.5 | Very high | 31 Ų | 31 | 88.8 Ų | 88.8 | 22% | 0.217 | 50% | 0.497 | C | S | . | . | trans | -130.4 | 155.5 | 176.3 | 68.8 | 0 | 0 | 0 | 0 | 111.8 | P303 S308 H312 | P303-S310 VanDerWaalsContact CD-O 3.26Å; P303-S310 WeakPolarHBondContact CD-O 3.28Å; S308-S310 PolarHBondContact O-N 3.12Å; S308-S310 PolarHBondContact OG-OG 2.82Å; S310-H312 PolarHBondContact OG-CD2 3.04Å; S310-H312 PolarHBondContact OG-NE2 3.25Å | ||
| 311 | I | 93.4 | Very high | 92.5 | Very high | 118 Ų | 118 | 87.9 Ų | 87.9 | 61% | 0.605 | 49% | 0.49 | S | S | * | . | trans | -120.8 | 119.7 | 172.4 | -58.8 | 173.8 | 0 | 0 | 0 | 106.6 | L300 V302 L313 | L300-I311 HydrophobicContact CG-CG2 4.36Å; V302-I311 HydrophobicContact CG2-CG1 4.47Å; I311-L313 HydrophobicContact CG2-CD2 4.43Å; I311-L313 HydrophobicContact CG2-CG 4.4Å | ||
| 312 | H | 93.4 | Very high | 92.5 | Very high | 85 Ų | 85 | 87 Ų | 87 | 39% | 0.394 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 122.7 | -178.8 | -66.7 | -174.1 | 0 | 0 | 0 | 109.6 | L300 E301 S310 | L300-H312 WeakPolarHBondContact CA-O 3.49Å; E301-H312 HydrophobicContact CB-CB 4.24Å; E301-H312 PolarHBondContact N-O 3.48Å; E301-H312 PolarHBondContact O-N 3.31Å; S310-H312 PolarHBondContact OG-CD2 3.04Å; S310-H312 PolarHBondContact OG-NE2 3.25Å |
| 313 | L | 95.9 | Very high | 92.4 | Very high | 56 Ų | 56 | 85.2 Ų | 85.2 | 29% | 0.293 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 123.1 | 178.4 | -62.5 | 173.1 | 0 | 0 | 0 | 109.7 | V292 K299 L300 I311 I320 | V292-L313 HydrophobicContact CG1-CD1 3.71Å; V292-L313 HydrophobicContact CG2-CD1 4.26Å; K299-L313 WeakPolarHBondContact O-CA 3.36Å; L300-L313 HydrophobicContact CB-CD2 3.83Å; L300-L313 HydrophobicContact CD1-CD2 3.81Å; L300-L313 HydrophobicContact CG-CD2 3.77Å; I311-L313 HydrophobicContact CG2-CD2 4.43Å; I311-L313 HydrophobicContact CG2-CG 4.4Å; L313-I320 HydrophobicContact CB-CD1 3.73Å; L313-I320 HydrophobicContact CD1-CG2 4.36Å |
| 314 | S | 94.4 | Very high | 92.4 | Very high | 67 Ų | 67 | 88.5 Ų | 88.5 | 47% | 0.469 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 123.5 | 177.2 | 72.2 | 0 | 0 | 0 | 0 | 111.4 | K299 | K299-S314 WeakPolarHBondContact CB-OG 3.48Å; K299-S314 PolarHBondContact N-O 3.41Å; K299-S314 PolarHBondContact O-N 2.92Å |
| 315 | S | 96.3 | Very high | 92.2 | Very high | 34 Ų | 34 | 85 Ų | 85 | 24% | 0.238 | 47% | 0.474 | C | S | . | . | trans | -121.5 | 137 | 178.4 | 167.8 | 0 | 0 | 0 | 0 | 110.4 | K317 G318 | S315-K317 PolarHBondContact OG-N 2.74Å; S315-G318 WeakPolarHBondContact CB-O 3.45Å; S315-G318 PolarHBondContact OG-N 2.93Å; S315-G318 PolarHBondContact OG-O 2.79Å | ||
| 316 | T | 94.6 | Very high | 91.7 | Very high | 132 Ų | 132 | 83.4 Ų | 83.4 | 81% | 0.81 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -102.6 | -12.7 | 173.8 | 56 | 0 | 0 | 0 | 0 | 112.8 | ||
| 317 | K | 93.4 | Very high | 91 | Very high | 115 Ų | 115 | 79.6 Ų | 79.6 | 50% | 0.5 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -104.1 | -0.8 | -171.9 | -60.9 | -166.5 | -170.3 | 174.4 | 0 | 114.5 | P295 T296 D297 S315 | P295-K317 HydrophobicContact CB-CB 4.08Å; T296-K317 WeakPolarHBondContact O-CD 3.19Å; D297-K317 VanDerWaalsContact OD2-CE 3.24Å; D297-K317 WeakPolarHBondContact OD2-CE 3.34Å; D297-K317 IonicContact OD2-NZ 3.73Å; D297-K317 PolarHBondContact OD2-NZ 2.93Å; S315-K317 PolarHBondContact OG-N 2.74Å |
| 318 | G | 93.9 | Very high | 89.8 | Confident | 29 Ų | 29 | 78 Ų | 78 | 30% | 0.299 | 44% | 0.436 | S | S | . | . | S | Bend | trans | 157 | 177 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S315 | S315-G318 WeakPolarHBondContact CB-O 3.45Å; S315-G318 PolarHBondContact OG-N 2.93Å; S315-G318 PolarHBondContact OG-O 2.79Å |
| 319 | P | 95.9 | Very high | 88.6 | Confident | 113 Ų | 113 | 84.6 Ų | 84.6 | 73% | 0.734 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 152.6 | 178.6 | 30.4 | -35.3 | 0 | 0 | 0 | 111.6 | P295 | P295-P319 WeakPolarHBondContact CD-O 3.49Š|
| 320 | I | 96.8 | Very high | 86.7 | Confident | 49 Ų | 49 | 82.8 Ų | 82.8 | 25% | 0.251 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -101.4 | 128.1 | 174.8 | -56.3 | 176 | 0 | 0 | 0 | 107.8 | V292 A294 T298 L313 V322 | V292-I320 HydrophobicContact CG1-CG2 3.79Å; A294-I320 HydrophobicContact CB-CG1 4.18Å; A294-I320 HydrophobicContact CB-CG2 3.99Å; T298-I320 HydrophobicContact CG2-CD1 3.74Å; T298-I320 HydrophobicContact CG2-CG1 4.48Å; L313-I320 HydrophobicContact CB-CD1 3.73Å; L313-I320 HydrophobicContact CD1-CG2 4.36Å; I320-V322 HydrophobicContact CG2-CG2 4.16Å |
| 321 | E | 95.8 | Very high | 84.8 | Confident | 95 Ų | 95 | 86.8 Ų | 86.8 | 44% | 0.444 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 127 | 175.1 | -69.3 | 173.8 | -176.1 | 0 | 0 | 108.9 | K293 | K293-E321 HydrophobicContact CB-CB 4.17Å; K293-E321 WeakPolarHBondContact CD-OE2 3.48Å; K293-E321 WeakPolarHBondContact CE-OE2 3.42Å; K293-E321 PolarHBondContact N-O 3.29Å; K293-E321 IonicContact NZ-OE1 2.99Å; K293-E321 IonicContact NZ-OE2 3.32Å; K293-E321 PolarHBondContact NZ-OE2 2.89Å; K293-E321 PolarHBondContact O-N 3.35Å |
| 322 | V | 95.1 | Very high | 82.5 | Confident | 63 Ų | 63 | 90.2 Ų | 90.2 | 38% | 0.382 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127.3 | 178 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | I290 V291 V292 I320 | I290-V322 HydrophobicContact CG2-CG1 3.41Å; I290-V322 VanDerWaalsContact CG2-CG1 3.41Å; V291-V322 WeakPolarHBondContact O-CA 3.4Å; V292-V322 HydrophobicContact CG2-CG1 4.46Å; V292-V322 HydrophobicContact CG2-CG2 4.45Å; I320-V322 HydrophobicContact CG2-CG2 4.16Å |
| 323 | L | 92.4 | Very high | 80.2 | Confident | 60 Ų | 60 | 97.2 Ų | 97.2 | 31% | 0.314 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 132.4 | -177.3 | -56.5 | 167.2 | 0 | 0 | 0 | 108.7 | V291 F349 | V291-L323 HydrophobicContact CB-CB 4.27Å; V291-L323 PolarHBondContact N-O 3.42Å; V291-L323 PolarHBondContact O-N 3.24Å; L323-F349 HydrophobicContact CB-CD1 4.2Å; L323-F349 HydrophobicContact CB-CE1 4.1Å; L323-F349 HydrophobicContact CD1-CE1 4.42Å; L323-F349 HydrophobicContact CD2-CB 4.43Å; L323-F349 HydrophobicContact CD2-CD1 3.65Å; L323-F349 HydrophobicContact CD2-CE1 4.07Å; L323-F349 HydrophobicContact CD2-CG 4.1Å; L323-F349 HydrophobicContact CG-CD1 4.41Å; L323-F349 HydrophobicContact CG-CE1 4.43Å |
| 324 | L | 92.1 | Very high | 77.4 | Confident | 101 Ų | 101 | 98.7 Ų | 98.7 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 126.9 | 172.8 | -178.6 | 64.2 | 0 | 0 | 0 | 108.9 | T288 I290 P326 | T288-L324 HydrophobicContact CG2-CD1 3.58Å; I290-L324 HydrophobicContact CG1-CD1 4.08Å; L324-P326 WeakPolarHBondContact O-CD 3.48Å |
| 325 | C | 87.8 | Confident | 75.1 | Confident | 12 Ų | 12 | 101.6 Ų | 101.6 | 8% | 0.081 | 54% | 0.543 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 118.3 | 170.5 | -73.3 | 0 | 0 | 0 | 0 | 108.3 | Y275 V289 | Y275-C325 HydrophobicContact CD2-CB 4.04Å; Y275-C325 HydrophobicContact CE2-CB 3.74Å; V289-C325 HydrophobicContact CB-CB 3.9Å; V289-C325 HydrophobicContact CG1-CB 4.46Å; V289-C325 WeakPolarHBondContact O-CB 3.39Å; V289-C325 PolarHBondContact O-N 3.21Å |
| 326 | P | 79.2 | Confident | 72.4 | Confident | 56 Ų | 56 | 105.7 Ų | 105.7 | 36% | 0.364 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -68.3 | 145.7 | -179.6 | 27.5 | -33.8 | 0 | 0 | 0 | 110.7 | Y275 L324 | Y275-P326 HydrophobicContact CE2-CG 4.14Å; Y275-P326 WeakPolarHBondContact CE2-O 3.49Å; Y275-P326 VanDerWaalsContact CZ-O 3.29Å; Y275-P326 PolarHBondContact OH-O 2.91Å; L324-P326 WeakPolarHBondContact O-CD 3.48Å |
| 327 | D | 72.6 | Confident | 69.7 | Low | 74 Ų | 74 | 108.5 Ų | 108.5 | 40% | 0.396 | 57% | 0.567 | S | S | . | * | trans | -96.9 | 103.9 | 169 | -66.8 | -32.5 | 0 | 0 | 0 | 108.1 | E329 N330 | D327-E329 PolarHBondContact O-N 2.91Å; D327-N330 PolarHBondContact O-N 2.98Å; D327-N330 VanDerWaalsContact O-N 3.13Å | ||
| 328 | E | 61.3 | Low | 67.1 | Low | 128 Ų | 128 | 111.5 Ų | 111.5 | 60% | 0.598 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -7.9 | -178.8 | -65.3 | -82.6 | 119.9 | 0 | 0 | 113.5 | ||
| 329 | E | 57.3 | Low | 64.3 | Low | 186 Ų | 186 | 113 Ų | 113 | 87% | 0.869 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -13.2 | 175.2 | -84.4 | -164.6 | 132.2 | 0 | 0 | 114.4 | D327 | D327-E329 PolarHBondContact O-N 2.91Š|
| 330 | N | 49.2 | Very low | 61.4 | Low | 135 Ų | 135 | 114.6 Ų | 114.6 | 72% | 0.722 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -105.4 | -2.7 | -173.8 | -142.4 | 7.7 | 0 | 0 | 0 | 115.3 | D327 M332 | D327-N330 PolarHBondContact O-N 2.98Å; D327-N330 VanDerWaalsContact O-N 3.13Å; N330-M332 VanDerWaalsContact C-N 3.34Å; N330-M332 PolarHBondContact O-N 2.94Å |
| 331 | D | 50.6 | Low | 58.5 | Low | 115 Ų | 115 | 118.9 Ų | 118.9 | 62% | 0.615 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 18.1 | -175 | -80.7 | -43.6 | 0 | 0 | 0 | 115.4 | ||
| 332 | M | 44.8 | Very low | 55.6 | Low | 190 Ų | 190 | 121.1 Ų | 121.1 | 94% | 0.936 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 3.1 | 167.2 | -79.5 | -141.6 | -172.4 | 0 | 0 | 114.6 | N330 | N330-M332 VanDerWaalsContact C-N 3.34Å; N330-M332 PolarHBondContact O-N 2.94Å |
| 333 | R | 45.1 | Very low | 53.2 | Low | 231 Ų | 231 | 126.5 Ų | 126.5 | 87% | 0.872 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -140.8 | 46.2 | -179 | -67.5 | -166.5 | -169.2 | -130.6 | 4.6 | 116.2 | ||
| 334 | S | 37.7 | Very low | 50.6 | Low | 88 Ų | 88 | 130.4 Ų | 130.4 | 62% | 0.615 | 70% | 0.696 | S | S | * | * | trans | -128.2 | 102.7 | 163.5 | -169.8 | 0 | 0 | 0 | 0 | 111.6 | V336 | S334-V336 VanDerWaalsContact C-N 3.32Å; S334-V336 PolarHBondContact O-N 3.31Å; S334-V336 VanDerWaalsContact O-N 3.15Å | ||
| 335 | P | 46 | Very low | 48.1 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | trans | -89.6 | 68.8 | 178.8 | 36 | -30.7 | 0 | 0 | 0 | 109.5 | ||||
| 336 | V | 39.5 | Very low | 45.7 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -144.8 | 119.3 | 162.7 | -149.3 | 0 | 0 | 0 | 0 | 111.3 | S334 | S334-V336 VanDerWaalsContact C-N 3.32Å; S334-V336 PolarHBondContact O-N 3.31Å; S334-V336 VanDerWaalsContact O-N 3.15Å | ||
| 337 | K | 37.7 | Very low | 44.3 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | 94.8 | 78.9 | 152.5 | -144.1 | 169 | -175.7 | -179.9 | 0 | 116.7 | G339 | K337-G339 PolarHBondContact O-N 3.09Š| ||
| 338 | N | 39.1 | Very low | 43 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 95% | 0.952 | 78% | 0.781 | S | S | * | * | trans | -56.1 | 122 | 142 | -96 | 9.4 | 0 | 0 | 0 | 108.9 | ||||
| 339 | G | 34.9 | Very low | 42 | Very low | 60 Ų | 60 | 141.1 Ų | 141.1 | 62% | 0.619 | 78% | 0.781 | S | S | * | * | trans | -170.5 | 82.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | K337 | K337-G339 PolarHBondContact O-N 3.09Š| ||
| 340 | N | 34.6 | Very low | 41.4 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | 67.1 | 97.6 | 162.4 | -57.6 | 5.2 | 0 | 0 | 0 | 117.2 | D342 | N340-D342 PolarHBondContact O-N 2.74Š| ||
| 341 | T | 35.4 | Very low | 40.9 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | -69.3 | 103.6 | 158.2 | -15 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 342 | D | 34.3 | Very low | 40.5 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | trans | -76.9 | 134 | 162.3 | -64.7 | -30.3 | 0 | 0 | 0 | 108.1 | N340 N344 | N340-D342 PolarHBondContact O-N 2.74Å; D342-N344 PolarHBondContact O-N 2.83Å | ||
| 343 | I | 45.6 | Very low | 40.2 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 90% | 0.903 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -74.4 | 42.1 | -168.6 | -43.7 | 172.9 | 0 | 0 | 0 | 111.8 | ||
| 344 | N | 38.3 | Very low | 39.4 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -151.6 | 54.2 | -178 | -150.1 | 39.5 | 0 | 0 | 0 | 113.8 | D342 N346 | D342-N344 PolarHBondContact O-N 2.83Å; N344-N346 PolarHBondContact O-N 2.63Å |
| 345 | G | 39.5 | Very low | 39.1 | Very low | 81 Ų | 81 | 139.1 Ų | 139.1 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 56.2 | 6 | 148.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 346 | N | 36.2 | Very low | 38.3 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -104.5 | 104.7 | 177.4 | -89 | -5.1 | 0 | 0 | 0 | 110 | N344 | N344-N346 PolarHBondContact O-N 2.63Š| ||
| 347 | S | 50.6 | Low | 37.8 | Very low | 98 Ų | 98 | 141.4 Ų | 141.4 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | trans | -61.7 | 152.6 | 166.3 | -27.6 | 0 | 0 | 0 | 0 | 110.7 | F349 | S347-F349 PolarHBondContact O-N 3.41Š| ||
| 348 | P | 45.2 | Very low | 37.1 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | -82.9 | 113 | -173.4 | 32.5 | -29.6 | 0 | 0 | 0 | 110.3 | L350 | P348-L350 PolarHBondContact O-N 3.25Š| ||
| 349 | F | 40.8 | Very low | 36.5 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 60% | 0.596 | 79% | 0.787 | S | S | * | * | trans | -64.3 | 128.6 | 162.4 | -77.6 | -84.1 | 0 | 0 | 0 | 109.5 | L323 S347 K351 | L323-F349 HydrophobicContact CB-CD1 4.2Å; L323-F349 HydrophobicContact CB-CE1 4.1Å; L323-F349 HydrophobicContact CD1-CE1 4.42Å; L323-F349 HydrophobicContact CD2-CB 4.43Å; L323-F349 HydrophobicContact CD2-CD1 3.65Å; L323-F349 HydrophobicContact CD2-CE1 4.07Å; L323-F349 HydrophobicContact CD2-CG 4.1Å; L323-F349 HydrophobicContact CG-CD1 4.41Å; L323-F349 HydrophobicContact CG-CE1 4.43Å; S347-F349 PolarHBondContact O-N 3.41Å; F349-K351 PolarHBondContact O-N 3.49Å; F349-K351 VanDerWaalsContact O-N 3.1Å | ||
| 350 | L | 44.7 | Very low | 36 | Very low | 159 Ų | 159 | 138 Ų | 138 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -72.9 | 100.1 | 170.8 | -70.5 | 174.2 | 0 | 0 | 0 | 109.4 | P348 V352 | P348-L350 PolarHBondContact O-N 3.25Å; L350-V352 PolarHBondContact O-N 3.15Å | ||
| 351 | K | 38.4 | Very low | 35.6 | Very low | 188 Ų | 188 | 138 Ų | 138 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | trans | -73.2 | 111.4 | 164.7 | -97.9 | -172.9 | 175.4 | 176.7 | 0 | 109 | F349 V353 | F349-K351 PolarHBondContact O-N 3.49Å; F349-K351 VanDerWaalsContact O-N 3.1Å; K351-V353 HydrophobicContact CB-CG2 4.5Å; K351-V353 PolarHBondContact O-N 3.38Å | ||
| 352 | V | 42 | Very low | 35.3 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -75.9 | 107.7 | 167.8 | 177.1 | 0 | 0 | 0 | 0 | 108.1 | L350 | L350-V352 PolarHBondContact O-N 3.15Š| ||
| 353 | V | 37.5 | Very low | 35.5 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | trans | -109.8 | 133.9 | 172.5 | 176.9 | 0 | 0 | 0 | 0 | 108.5 | K351 | K351-V353 HydrophobicContact CB-CG2 4.5Å; K351-V353 PolarHBondContact O-N 3.38Å | ||
| 354 | Q | 30.1 | Very low | 34.7 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 64% | 0.64 | 78% | 0.784 | S | S | * | * | trans | -75.9 | 134.8 | -176 | -171.5 | 174.8 | 10.7 | 0 | 0 | 112.5 | ||||
| 355 | D | 29.8 | Very low | 34.1 | Very low | 159 Ų | 159 | 130.2 Ų | 130.2 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -68.2 | 141.1 | 179.6 | -70.6 | -50.6 | 0 | 0 | 0 | 113.8 | ||||
| 356 | S | 30 | Very low | 33.5 | Very low | 121 Ų | 121 | 135 Ų | 135 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -107.7 | 116.7 | 173.6 | -64 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 357 | N | 28.7 | Very low | 33.1 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 94% | 0.936 | 78% | 0.775 | S | S | * | * | trans | -97.9 | 138.8 | 171 | -96.8 | 0.7 | 0 | 0 | 0 | 112.2 | ||||
| 358 | C | 24.1 | Very low | 32.2 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | -87.4 | 146 | -170.8 | -178.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 359 | T | 25.8 | Very low | 31.9 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | -153.9 | 113.5 | 141.1 | -11.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 360 | T | 24.9 | Very low | 31.8 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | trans | -4.3 | 129.5 | 156 | 57.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 361 | T | 25.5 | Very low | 31 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | -168.8 | 128 | 114.6 | 29 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 362 | S | 29.3 | Very low | 30.7 | Very low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -105.2 | 171.5 | 173.3 | 59.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 363 | P | 39 | Very low | 30 | Very low | 118 Ų | 118 | 126.4 Ų | 126.4 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | cis | -133 | 170.2 | 42.5 | 33.6 | -10.2 | 0 | 0 | 0 | 113.5 | ||||
| 364 | S | 28.4 | Very low | 29.6 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | -178.5 | 135.8 | 58.1 | 59.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 365 | T | 25.9 | Very low | 29.3 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 63% | 0.626 | 79% | 0.792 | S | S | * | * | trans | 83.6 | 131.5 | 137.2 | -3.3 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 366 | F | 27.1 | Very low | 29.4 | Very low | 180 Ų | 180 | 123.4 Ų | 123.4 | 79% | 0.789 | 79% | 0.789 | S | S | * | * | trans | 83.8 | 125.4 | 156.6 | -60.2 | -62.7 | 0 | 0 | 0 | 116.7 | ||||
| 367 | L | 28.3 | Very low | 29.3 | Very low | 162 Ų | 162 | 123.2 Ų | 123.2 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | cis | -156.4 | 157.6 | 15.5 | -87.4 | 142.2 | 0 | 0 | 0 | 110.6 | ||||
| 368 | S | 30.4 | Very low | 29.3 | Very low | 110 Ų | 110 | 121.3 Ų | 121.3 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -71.3 | -172 | -174.1 | -19.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 369 | P | 39.3 | Very low | 29.4 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | cis | -133.7 | -177.9 | -22.1 | 36.2 | -15.5 | 0 | 0 | 0 | 115.1 | ||||
| 370 | P | 38.1 | Very low | 29.4 | Very low | 128 Ų | 128 | 121.8 Ų | 121.8 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | trans | -116.2 | 175.3 | -169.6 | 41 | -29.2 | 0 | 0 | 0 | 116.3 | ||||
| 371 | A | 28.7 | Very low | 29.5 | Very low | 90 Ų | 90 | 123.8 Ų | 123.8 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | -141 | 120.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 372 | S | 31.3 | Very low | 29.5 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | 47.9 | 108.8 | 142.2 | 50.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 373 | S | 27.1 | Very low | 30.2 | Very low | 108 Ų | 108 | 121.5 Ų | 121.5 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | 74.5 | 103.4 | 88 | 76 | 0 | 0 | 0 | 0 | 115 | |||||
| 374 | S | 29.5 | Very low | 29.6 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | 66.6 | 118.8 | 92.3 | -161.3 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 375 | A | 25 | Very low | 29.5 | Very low | 98 Ų | 98 | 123.8 Ų | 123.8 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -177.6 | 133.9 | 134.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 376 | V | 31.6 | Very low | 29.6 | Very low | 129 Ų | 129 | 124.2 Ų | 124.2 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | trans | -88.4 | 150.4 | 170.4 | 173.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 377 | S | 27.1 | Very low | 30.4 | Very low | 117 Ų | 117 | 121 Ų | 121 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -153.9 | 128.7 | 155.4 | -69.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 378 | V | 29.9 | Very low | 30.4 | Very low | 136 Ų | 136 | 123.9 Ų | 123.9 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -103.8 | 135.4 | 172.2 | -85.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 379 | T | 25.7 | Very low | 30.5 | Very low | 141 Ų | 141 | 124.3 Ų | 124.3 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | trans | -140.3 | 150.7 | 170.8 | -47.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 380 | T | 26 | Very low | 29.9 | Very low | 115 Ų | 115 | 123.6 Ų | 123.6 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -109.2 | 147.1 | -150.9 | 47.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 381 | L | 26.3 | Very low | 30 | Very low | 153 Ų | 153 | 125.6 Ų | 125.6 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | trans | 79.2 | 111.8 | 142 | -64.5 | 168.3 | 0 | 0 | 0 | 123.4 | ||||
| 382 | S | 24.9 | Very low | 30.4 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | 70.9 | 169.3 | 124.9 | -33.7 | 0 | 0 | 0 | 0 | 122 | |||||
| 383 | P | 45.8 | Very low | 30.7 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | -137 | 137.4 | -73.3 | 38 | -20.6 | 0 | 0 | 0 | 113.7 | |||||
| 384 | I | 26.3 | Very low | 31 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | -147.6 | 116.6 | 170.2 | -57.4 | -177.8 | 0 | 0 | 0 | 113.4 | ||||
| 385 | S | 24.9 | Very low | 31.4 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 42.4 | 121.6 | 137.1 | -35.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 386 | S | 28.2 | Very low | 31.9 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -48.4 | 168.6 | 145.7 | 44.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 387 | P | 44.2 | Very low | 32.1 | Very low | 114 Ų | 114 | 141 Ų | 141 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | cis | -154.1 | 172.6 | 36.6 | 42.1 | -18.8 | 0 | 0 | 0 | 119.9 | ||||
| 388 | Y | 28.4 | Very low | 32.6 | Very low | 222 Ų | 222 | 144.6 Ų | 144.6 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | trans | 29.1 | 152.6 | 143.4 | -94.1 | -99.9 | 0 | 0 | 0 | 124.9 | ||||
| 389 | T | 31.5 | Very low | 33.1 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | trans | 79.7 | 118.9 | 146.1 | -179.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 390 | S | 28.2 | Very low | 33.9 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | -178.3 | 128.6 | 99.7 | -72.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 391 | L | 40.3 | Very low | 34.4 | Very low | 169 Ų | 169 | 143.5 Ų | 143.5 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | trans | -57.7 | 146 | 149.4 | -89.9 | 106.6 | 0 | 0 | 0 | 110.2 | ||||
| 392 | L | 35.6 | Very low | 34.6 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -166.1 | 113 | 143.3 | -107.9 | 159.5 | 0 | 0 | 0 | 114.1 | ||||
| 393 | Q | 39.2 | Very low | 35.1 | Very low | 169 Ų | 169 | 145.8 Ų | 145.8 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -20.1 | 139.2 | 146 | -162.3 | 151.6 | 33.1 | 0 | 0 | 119.3 | ||||
| 394 | Q | 33.3 | Very low | 34.6 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -151.5 | 107.2 | 155.7 | -66.9 | -170.1 | -27.9 | 0 | 0 | 108.4 | ||||
| 395 | T | 37 | Very low | 35.4 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | 70.4 | 129.8 | 83.1 | 48.6 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 396 | E | 35.4 | Very low | 36.1 | Very low | 189 Ų | 189 | 146.2 Ų | 146.2 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | -77.4 | 167.5 | -171.3 | -164.1 | 176.5 | 136.7 | 0 | 0 | 113.5 | ||||
| 397 | D | 36.9 | Very low | 36.8 | Very low | 137 Ų | 137 | 148.3 Ų | 148.3 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | trans | 105.2 | 88.8 | 163.3 | -131.3 | -48.5 | 0 | 0 | 0 | 117.7 | ||||
| 398 | Q | 37.2 | Very low | 36.8 | Very low | 191 Ų | 191 | 150.1 Ų | 150.1 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | -166.9 | 115 | 130.1 | -107.4 | 177.4 | 94.2 | 0 | 0 | 110.1 | ||||
| 399 | V | 40.4 | Very low | 37.3 | Very low | 131 Ų | 131 | 147.2 Ų | 147.2 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -125.7 | 146.1 | 163 | -146.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 400 | P | 40.9 | Very low | 38.1 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | -128.6 | 136.3 | 129.5 | 8.7 | 12.3 | 0 | 0 | 0 | 112.8 | |||||
| 401 | S | 37.8 | Very low | 39 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -70.4 | 147.9 | -176.3 | 35.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 402 | S | 30.5 | Very low | 39.3 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -166.5 | 118 | 133.1 | 49.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 403 | Q | 34.5 | Very low | 39.7 | Very low | 188 Ų | 188 | 143.5 Ų | 143.5 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | 47.8 | 121.2 | 139.5 | -98.5 | 67.8 | -3.7 | 0 | 0 | 123.8 | ||||
| 404 | G | 36.4 | Very low | 40.1 | Very low | 62 Ų | 62 | 141.6 Ų | 141.6 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | trans | 145.6 | 141.3 | 141.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 405 | P | 43.7 | Very low | 40.7 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -93.6 | 120.3 | -146.6 | 35.5 | -30 | 0 | 0 | 0 | 113.5 | ||||
| 406 | F | 38.3 | Very low | 41.1 | Very low | 203 Ų | 203 | 142 Ų | 142 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -108.9 | 116 | 155.1 | -69.1 | -76.2 | 0 | 0 | 0 | 108 | N408 | F406-N408 PolarHBondContact O-N 3.1Š| ||
| 407 | L | 43.2 | Very low | 41.6 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | -63 | 111.4 | 164.2 | -73.7 | 161.8 | 0 | 0 | 0 | 106.8 | L409 | L407-L409 PolarHBondContact O-N 3.13Š| ||
| 408 | N | 43.3 | Very low | 42.1 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -67.1 | 104.2 | 164.4 | -108.2 | -52.1 | 0 | 0 | 0 | 107 | F406 V410 | F406-N408 PolarHBondContact O-N 3.1Å; N408-V410 PolarHBondContact O-N 3.4Å | ||
| 409 | L | 40.3 | Very low | 42.8 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -80.5 | 14.5 | -179.8 | -72.5 | 166.3 | 0 | 0 | 0 | 112.9 | L407 | L407-L409 PolarHBondContact O-N 3.13Š| ||
| 410 | V | 47.8 | Very low | 43.4 | Very low | 106 Ų | 106 | 143.9 Ų | 143.9 | 64% | 0.642 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -117.9 | 120.1 | -177.3 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | N408 | N408-V410 PolarHBondContact O-N 3.4Š|
| 411 | P | 46.5 | Very low | 43.9 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | trans | -61.2 | 152.1 | 171.6 | -16.5 | 29.4 | 0 | 0 | 0 | 110.6 | I413 | P411-I413 PolarHBondContact O-N 3.48Š| ||
| 412 | P | 46.9 | Very low | 44.9 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | trans | -57.3 | 130.8 | 173.6 | -14 | 26.6 | 0 | 0 | 0 | 109.3 | L414 | P412-L414 PolarHBondContact O-N 2.94Š| ||
| 413 | I | 44.7 | Very low | 46.1 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -64.6 | 100.2 | 176 | -60.2 | 167.6 | 0 | 0 | 0 | 107.2 | P411 | P411-I413 PolarHBondContact O-N 3.48Š| ||
| 414 | L | 46.7 | Very low | 47.3 | Very low | 129 Ų | 129 | 141 Ų | 141 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | trans | -80.1 | 131.2 | 157.3 | -78.6 | 164.3 | 0 | 0 | 0 | 106.6 | P412 D416 | P412-L414 PolarHBondContact O-N 2.94Å; L414-D416 PolarHBondContact O-N 3.35Å | ||
| 415 | E | 46.6 | Very low | 48.3 | Very low | 186 Ų | 186 | 144.2 Ų | 144.2 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 0 | -164.3 | -139.7 | 167.8 | -178.5 | 0 | 0 | 114.3 | ||
| 416 | D | 44.5 | Very low | 49.1 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.4 | -4.6 | -168.7 | -66.4 | -44.9 | 0 | 0 | 0 | 115.6 | L414 | L414-D416 PolarHBondContact O-N 3.35Š|
| 417 | D | 46.8 | Very low | 50.4 | Low | 129 Ų | 129 | 134.1 Ų | 134.1 | 69% | 0.69 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 4.2 | -171.8 | -78.1 | -21 | 0 | 0 | 0 | 115.5 | ||
| 418 | Y | 47.9 | Very low | 51.4 | Low | 213 Ų | 213 | 133.3 Ų | 133.3 | 84% | 0.835 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.9 | 21.8 | 178.5 | -73.4 | -83.2 | 0 | 0 | 0 | 114.5 | L420 | Y418-L420 VanDerWaalsContact C-N 3.3Å; Y418-L420 PolarHBondContact O-N 3.22Å |
| 419 | L | 51.8 | Low | 52 | Low | 169 Ų | 169 | 130.1 Ų | 130.1 | 89% | 0.885 | 71% | 0.707 | S | S | * | * | trans | -90.9 | 63.3 | 172.1 | -137.9 | 75.8 | 0 | 0 | 0 | 111.1 | G421 | L419-G421 PolarHBondContact O-N 2.79Å; L419-G421 VanDerWaalsContact O-N 3.09Å | ||
| 420 | L | 51.5 | Low | 53 | Low | 175 Ų | 175 | 126 Ų | 126 | 92% | 0.916 | 69% | 0.685 | S | S | * | * | trans | -81 | 76.7 | 163.2 | -78.1 | 161.7 | 0 | 0 | 0 | 108.2 | Y418 | Y418-L420 VanDerWaalsContact C-N 3.3Å; Y418-L420 PolarHBondContact O-N 3.22Å | ||
| 421 | G | 53.3 | Low | 53.6 | Low | 63 Ų | 63 | 126.6 Ų | 126.6 | 65% | 0.649 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 132.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | L419 E423 | L419-G421 PolarHBondContact O-N 2.79Å; L419-G421 VanDerWaalsContact O-N 3.09Å; G421-E423 PolarHBondContact O-N 3.14Å |
| 422 | L | 56.7 | Low | 54.1 | Low | 98 Ų | 98 | 129 Ų | 129 | 51% | 0.513 | 68% | 0.684 | S | S | . | * | P | Polyproline II helix | trans | -63 | 132.7 | 163.7 | -66.1 | 169.7 | 0 | 0 | 0 | 107.7 | Q426 | L422-Q426 HydrophobicContact CB-CB 4.21Å; L422-Q426 HydrophobicContact CD2-CB 4.12Å |
| 423 | E | 57.6 | Low | 54.4 | Low | 134 Ų | 134 | 129.3 Ų | 129.3 | 63% | 0.626 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 156.5 | 175.1 | -145.2 | 165.6 | -161.9 | 0 | 0 | 109 | G421 D425 Q426 | G421-E423 PolarHBondContact O-N 3.14Å; E423-D425 PolarHBondContact O-N 3.01Å; E423-Q426 PolarHBondContact O-N 3.47Å |
| 424 | D | 57.9 | Low | 54.7 | Low | 185 Ų | 185 | 126.3 Ų | 126.3 | 99% | 0.989 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -8.4 | -168.9 | -68.8 | -34.5 | 0 | 0 | 0 | 114.5 | ||
| 425 | D | 59.1 | Low | 54.8 | Low | 128 Ų | 128 | 123.8 Ų | 123.8 | 68% | 0.684 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | -2.8 | 176.2 | 65.5 | -21.1 | 0 | 0 | 0 | 114.7 | E423 | E423-D425 PolarHBondContact O-N 3.01Š|
| 426 | Q | 60.7 | Low | 54.7 | Low | 86 Ų | 86 | 119.7 Ų | 119.7 | 40% | 0.402 | 65% | 0.654 | S | S | . | * | trans | -103.1 | 123 | -179.2 | -70.7 | 177.9 | 51.2 | 0 | 0 | 112 | L422 E423 | L422-Q426 HydrophobicContact CB-CB 4.21Å; L422-Q426 HydrophobicContact CD2-CB 4.12Å; E423-Q426 PolarHBondContact O-N 3.47Å | ||
| 427 | G | 65.4 | Low | 54.9 | Low | 32 Ų | 32 | 120.4 Ų | 120.4 | 33% | 0.33 | 65% | 0.651 | S | S | . | * | trans | -100.6 | 165.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S429 D430 | G427-S429 PolarHBondContact O-N 3.39Å; G427-D430 PolarHBondContact N-OD2 3.11Å; G427-D430 PolarHBondContact O-N 3.42Å | ||
| 428 | I | 62.5 | Low | 55 | Low | 136 Ų | 136 | 121.9 Ų | 121.9 | 70% | 0.697 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | -18.1 | 169.7 | 14.6 | 169.1 | 0 | 0 | 0 | 113.6 | L431 F432 | I428-L431 WeakPolarHBondContact O-CB 3.26Å; I428-F432 WeakPolarHBondContact O-CD2 3.35Å |
| 429 | S | 57.5 | Low | 55.1 | Low | 87 Ų | 87 | 120 Ų | 120 | 61% | 0.608 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -36.8 | 173.8 | -36.7 | 0 | 0 | 0 | 0 | 113 | G427 L431 F432 | G427-S429 PolarHBondContact O-N 3.39Å; S429-L431 PolarHBondContact O-N 3.28Å; S429-F432 PolarHBondContact O-N 3.34Å |
| 430 | D | 60.4 | Low | 54.7 | Low | 73 Ų | 73 | 118.6 Ų | 118.6 | 39% | 0.39 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -70.9 | -20.7 | -178.8 | -71.8 | -44 | 0 | 0 | 0 | 112.5 | G427 F432 D433 | G427-D430 PolarHBondContact N-OD2 3.11Å; G427-D430 PolarHBondContact O-N 3.42Å; D430-F432 PolarHBondContact O-N 2.78Å; D430-D433 PolarHBondContact O-N 3.04Å |
| 431 | L | 60.8 | Low | 54.4 | Low | 118 Ų | 118 | 115.2 Ų | 115.2 | 62% | 0.618 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64 | -22.1 | 175.8 | -151.9 | 78.8 | 0 | 0 | 0 | 112.2 | I428 S429 | I428-L431 WeakPolarHBondContact O-CB 3.26Å; S429-L431 PolarHBondContact O-N 3.28Å |
| 432 | F | 56.6 | Low | 54.1 | Low | 153 Ų | 153 | 118.1 Ų | 118.1 | 67% | 0.671 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -103.9 | -17.4 | -179.7 | -63.2 | -80.3 | 0 | 0 | 0 | 113.6 | I428 S429 D430 A434 C435 | I428-F432 WeakPolarHBondContact O-CD2 3.35Å; S429-F432 PolarHBondContact O-N 3.34Å; D430-F432 PolarHBondContact O-N 2.78Å; F432-A434 VanDerWaalsContact C-N 3.34Å; F432-C435 PolarHBondContact O-N 2.92Å |
| 433 | D | 53.5 | Low | 53.5 | Low | 127 Ų | 127 | 120.9 Ų | 120.9 | 68% | 0.679 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -77.6 | -19.1 | 177.1 | -78.4 | -18.1 | 0 | 0 | 0 | 112.9 | D430 C435 | D430-D433 PolarHBondContact O-N 3.04Å; D433-C435 VanDerWaalsContact C-N 3.28Å; D433-C435 PolarHBondContact O-N 3.23Å |
| 434 | A | 50.8 | Low | 52.8 | Low | 90 Ų | 90 | 117.2 Ų | 117.2 | 74% | 0.744 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -12.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F432 D436 | F432-A434 VanDerWaalsContact C-N 3.34Å; A434-D436 PolarHBondContact O-N 3.11Å |
| 435 | C | 49.4 | Very low | 52.1 | Low | 76 Ų | 76 | 116.2 Ų | 116.2 | 51% | 0.514 | 65% | 0.65 | S | S | . | * | trans | -95.6 | 73.4 | 176.6 | -74.4 | 0 | 0 | 0 | 0 | 110.3 | F432 D433 F437 | F432-C435 PolarHBondContact O-N 2.92Å; D433-C435 VanDerWaalsContact C-N 3.28Å; D433-C435 PolarHBondContact O-N 3.23Å; C435-F437 VanDerWaalsContact C-N 3.31Å; C435-F437 HydrophobicContact CB-CD2 4.22Å; C435-F437 HydrophobicContact CB-CE2 3.8Å; C435-F437 HydrophobicContact CB-CZ 4.34Å; C435-F437 WeakPolarHBondContact O-CD2 3.39Å; C435-F437 PolarHBondContact O-N 2.92Å | ||
| 436 | D | 43.9 | Very low | 51.4 | Low | 99 Ų | 99 | 117.2 Ų | 117.2 | 53% | 0.529 | 66% | 0.656 | S | S | . | * | trans | -68.4 | 89.6 | 165.7 | -169.7 | 6.2 | 0 | 0 | 0 | 109.1 | A434 D438 K439 | A434-D436 PolarHBondContact O-N 3.11Å; D436-D438 PolarHBondContact O-N 2.96Å; D436-D438 VanDerWaalsContact O-N 3.11Å; D436-D438 PolarHBondContact OD1-N 2.7Å; D436-K439 PolarHBondContact O-N 3.35Å; D436-K439 VanDerWaalsContact O-N 3.16Å | ||
| 437 | F | 49.4 | Very low | 50.7 | Low | 158 Ų | 158 | 120.9 Ų | 120.9 | 69% | 0.693 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -62.5 | -13.3 | -179.9 | -78.3 | -84.4 | 0 | 0 | 0 | 113.1 | C435 K439 M440 | C435-F437 VanDerWaalsContact C-N 3.31Å; C435-F437 HydrophobicContact CB-CD2 4.22Å; C435-F437 HydrophobicContact CB-CE2 3.8Å; C435-F437 HydrophobicContact CB-CZ 4.34Å; C435-F437 WeakPolarHBondContact O-CD2 3.39Å; C435-F437 PolarHBondContact O-N 2.92Å; F437-K439 VanDerWaalsContact C-N 3.3Å; F437-M440 HydrophobicContact CD1-CE 4.08Å |
| 438 | D | 49.3 | Very low | 49.7 | Very low | 160 Ų | 160 | 127 Ų | 127 | 86% | 0.856 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -83.9 | -0.9 | 177.2 | -80.4 | -44.7 | 0 | 0 | 0 | 113.6 | D436 | D436-D438 PolarHBondContact O-N 2.96Å; D436-D438 VanDerWaalsContact O-N 3.11Å; D436-D438 PolarHBondContact OD1-N 2.7Å |
| 439 | K | 48.8 | Very low | 48.9 | Very low | 172 Ų | 172 | 128.8 Ų | 128.8 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -122.3 | 19.4 | -176.8 | -137.8 | 175.6 | -174 | -178.5 | 0 | 115.9 | D436 F437 | D436-K439 PolarHBondContact O-N 3.35Å; D436-K439 VanDerWaalsContact O-N 3.16Å; F437-K439 VanDerWaalsContact C-N 3.3Å |
| 440 | M | 43.7 | Very low | 48.3 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 69% | 0.69 | 72% | 0.723 | S | S | * | * | trans | -70.5 | 127.4 | 168.6 | -79 | -164.1 | -76.1 | 0 | 0 | 110.8 | F437 S442 | F437-M440 HydrophobicContact CD1-CE 4.08Å; M440-S442 PolarHBondContact O-N 2.94Å | ||
| 441 | P | 44.5 | Very low | 47.5 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | trans | -64.6 | 131.9 | 169.2 | 26.7 | -30.1 | 0 | 0 | 0 | 108.6 | L443 | P441-L443 VanDerWaalsContact C-N 3.32Å; P441-L443 PolarHBondContact O-N 3.2Å | ||
| 442 | S | 47.7 | Very low | 46.8 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | -59.7 | 92.3 | 172.8 | 59.6 | 0 | 0 | 0 | 0 | 109.6 | M440 G444 | M440-S442 PolarHBondContact O-N 2.94Å; S442-G444 PolarHBondContact O-N 3.18Å; S442-G444 VanDerWaalsContact O-N 3.15Å | ||
| 443 | L | 43.5 | Very low | 46.3 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | trans | -71.8 | 108.3 | 169.6 | -71.9 | 175.3 | 0 | 0 | 0 | 107.3 | P441 L445 | P441-L443 VanDerWaalsContact C-N 3.32Å; P441-L443 PolarHBondContact O-N 3.2Å; L443-L445 PolarHBondContact O-N 3.38Å | ||
| 444 | G | 43.8 | Very low | 45.9 | Very low | 57 Ų | 57 | 137.3 Ų | 137.3 | 59% | 0.588 | 79% | 0.791 | S | S | * | * | trans | -54.1 | 121.8 | -178 | 0 | 0 | 0 | 0 | 0 | 111.5 | S442 D446 | S442-G444 PolarHBondContact O-N 3.18Å; S442-G444 VanDerWaalsContact O-N 3.15Å; G444-D446 PolarHBondContact O-N 3.25Å | ||
| 445 | L | 43.3 | Very low | 45.6 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 22.6 | 174.3 | -100.9 | 162.8 | 0 | 0 | 0 | 112 | L443 | L443-L445 PolarHBondContact O-N 3.38Š|
| 446 | D | 44.4 | Very low | 45.4 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -6.9 | -172 | -54.3 | -55.9 | 0 | 0 | 0 | 114 | G444 | G444-D446 PolarHBondContact O-N 3.25Š|
| 447 | D | 45.5 | Very low | 45.5 | Very low | 163 Ų | 163 | 147.1 Ų | 147.1 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -110.6 | 19.4 | -167.3 | -128.4 | 8.9 | 0 | 0 | 0 | 115.7 | ||
| 448 | L | 43.7 | Very low | 45.2 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 85% | 0.848 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -118.4 | 19.4 | 178.4 | -102.5 | 153 | 0 | 0 | 0 | 114.4 | ||
| 449 | L | 47.1 | Very low | 44.9 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 91% | 0.906 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -121.2 | 29.4 | 174.1 | -89 | 173.8 | 0 | 0 | 0 | 114.4 | ||
| 450 | C | 44.9 | Very low | 44.6 | Very low | 122 Ų | 122 | 143 Ų | 143 | 82% | 0.824 | 85% | 0.846 | S | S | * | * | trans | -151.9 | 91 | 165.8 | -140.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 451 | S | 42.6 | Very low | 44.6 | Very low | 202 Ų | 202 | 143.3 Ų | 143.3 | 100% | 1.413 | 86% | 0.861 | S | S | * | * | trans | -167.4 | 0 | 142.1 | -80.4 | 0 | 0 | 0 | 0 | 110.4 |
Retrieved 451 of 451 residues in 316.2 ms
(Link to these results)