| 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 | Q | 35.7 | Very low | 40.8 | Very low | 233 Ų | 233 | 177.9 Ų | 177.9 | 100% | 1.089 | 81% | 0.806 | S | S | * | * | 0 | 116.5 | 0 | -168.3 | 174.9 | 12 | 0 | 0 | 106 | |||||
| 2 | D | 36.4 | Very low | 41 | Very low | 117 Ų | 117 | 177.9 Ų | 177.9 | 63% | 0.626 | 81% | 0.808 | S | S | * | * | trans | 59.2 | 148.2 | 163 | -78.1 | -23.4 | 0 | 0 | 0 | 120.4 | ||||
| 3 | R | 39.1 | Very low | 40.8 | Very low | 201 Ų | 201 | 173.5 Ų | 173.5 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | cis | -160.6 | 159.5 | -18.4 | -146.4 | 175.9 | -80.4 | 175.3 | 3.3 | 109.3 | ||||
| 4 | F | 43.5 | Very low | 40.4 | Very low | 167 Ų | 167 | 168.9 Ų | 168.9 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | -23.5 | 151.3 | 164.5 | -82.3 | -107.6 | 0 | 0 | 0 | 119.4 | ||||
| 5 | R | 42.9 | Very low | 40.4 | Very low | 248 Ų | 248 | 162 Ų | 162 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | -164 | 144.7 | 119.1 | -108.6 | 168.6 | -174.1 | -175.8 | 0.3 | 114.4 | |||||
| 6 | E | 49.6 | Very low | 40.4 | Very low | 157 Ų | 157 | 159.7 Ų | 159.7 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -107.2 | 157.2 | 174.4 | -59.8 | 160.2 | 104.5 | 0 | 0 | 110.5 | ||||
| 7 | D | 40.6 | Very low | 40.4 | Very low | 151 Ų | 151 | 161.1 Ų | 161.1 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | -164.4 | 115.2 | 145.1 | -99 | -35.7 | 0 | 0 | 0 | 106.9 | ||||
| 8 | R | 45 | Very low | 40.3 | Very low | 209 Ų | 209 | 163.2 Ų | 163.2 | 79% | 0.789 | 79% | 0.791 | S | S | * | * | 72.3 | 101 | 69.8 | -72.8 | -172 | 173.7 | -163 | -0.2 | 115.8 | |||||
| 9 | N | 39.2 | Very low | 40.7 | Very low | 153 Ų | 153 | 158.3 Ų | 158.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 50.7 | 132.3 | 133.2 | -57 | -22.6 | 0 | 0 | 0 | 120.8 | ||||
| 10 | R | 39.3 | Very low | 40.8 | Very low | 240 Ų | 240 | 159.9 Ų | 159.9 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | 166.8 | 122.1 | 89.4 | -172 | 170.4 | -161.7 | 179.4 | 4.7 | 114.9 | |||||
| 11 | A | 37.8 | Very low | 41.3 | Very low | 81 Ų | 81 | 160.7 Ų | 160.7 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | 36.1 | 136.4 | 145.5 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 12 | Q | 43 | Very low | 42 | Very low | 178 Ų | 178 | 157.1 Ų | 157.1 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | -172.4 | 124.2 | 118.9 | -101.4 | 168.5 | -8.1 | 0 | 0 | 108.5 | |||||
| 13 | T | 38.8 | Very low | 42.9 | Very low | 120 Ų | 120 | 157 Ų | 157 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | 80.2 | 135.8 | 80.4 | -66.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 14 | C | 35 | Very low | 43.8 | Very low | 110 Ų | 110 | 155.4 Ų | 155.4 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | cis | -168 | 172.8 | -15.7 | -96.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 15 | G | 40.6 | Very low | 43.9 | Very low | 65 Ų | 65 | 157.9 Ų | 157.9 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | 131.6 | 85.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 16 | D | 39.7 | Very low | 44.9 | Very low | 125 Ų | 125 | 153.6 Ų | 153.6 | 67% | 0.668 | 79% | 0.789 | S | S | * | * | cis | 63.2 | 129.4 | 46.7 | -61.4 | 9.1 | 0 | 0 | 0 | 112.1 | ||||
| 17 | F | 40.1 | Very low | 45.6 | Very low | 184 Ų | 184 | 152.5 Ų | 152.5 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | cis | -160.3 | 145.1 | -9.3 | -106.4 | -66 | 0 | 0 | 0 | 107.7 | ||||
| 18 | E | 39 | Very low | 46.4 | Very low | 198 Ų | 198 | 151.2 Ų | 151.2 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | 169.8 | 135.7 | 146.7 | -100.1 | 171.9 | -169.7 | 0 | 0 | 107.3 | ||||
| 19 | G | 47.5 | Very low | 47 | Very low | 70 Ų | 70 | 146.7 Ų | 146.7 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | cis | 154.1 | 44.5 | 5.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 20 | E | 43.9 | Very low | 47.9 | Very low | 191 Ų | 191 | 146.5 Ų | 146.5 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -116.7 | 139 | -179.7 | -79.9 | -66.3 | 165.5 | 0 | 0 | 111.1 | ||||
| 21 | M | 51 | Low | 48.7 | Very low | 176 Ų | 176 | 142.4 Ų | 142.4 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | -85.7 | 147.1 | -164.3 | -179.8 | 174.5 | -82.7 | 0 | 0 | 111.7 | ||||
| 22 | E | 49.2 | Very low | 49.8 | Very low | 159 Ų | 159 | 146.7 Ų | 146.7 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | -61 | 162.3 | 173.8 | -66.5 | -159 | 149 | 0 | 0 | 112.4 | ||||
| 23 | P | 56.3 | Low | 50.7 | Low | 115 Ų | 115 | 145.5 Ų | 145.5 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | -110.4 | 115.2 | 121.6 | 30.5 | -32 | 0 | 0 | 0 | 111.3 | |||||
| 24 | E | 58.5 | Low | 51.8 | Low | 166 Ų | 166 | 145 Ų | 145 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -49.1 | 132.6 | 160.9 | -175.5 | 172.1 | -171.5 | 0 | 0 | 109 | D26 | E24-D26 PolarHBondContact O-N 3.21Š| ||
| 25 | Y | 45.6 | Very low | 52.9 | Low | 220 Ų | 220 | 146.5 Ų | 146.5 | 86% | 0.863 | 76% | 0.764 | S | S | * | * | trans | -73.6 | 114.5 | -177.8 | -77.4 | -98.8 | 0 | 0 | 0 | 110 | V27 | Y25-V27 PolarHBondContact O-N 3.17Š| ||
| 26 | D | 63.4 | Low | 53.8 | Low | 158 Ų | 158 | 148 Ų | 148 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | trans | -55 | 109.6 | 167 | -93.7 | -37.3 | 0 | 0 | 0 | 109.7 | E24 V28 | E24-D26 PolarHBondContact O-N 3.21Å; D26-V28 PolarHBondContact O-N 3.47Å; D26-V28 VanDerWaalsContact O-N 3.11Å | ||
| 27 | V | 63.8 | Low | 55.1 | Low | 134 Ų | 134 | 147.6 Ų | 147.6 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | trans | -72.4 | 102.4 | 165.7 | 178.6 | 0 | 0 | 0 | 0 | 106.5 | Y25 D29 | Y25-V27 PolarHBondContact O-N 3.17Å; V27-D29 PolarHBondContact O-N 2.94Å | ||
| 28 | V | 58.6 | Low | 56.5 | Low | 123 Ų | 123 | 148.4 Ų | 148.4 | 75% | 0.745 | 76% | 0.764 | S | S | * | * | trans | -61.8 | 111.5 | 177.6 | -162.2 | 0 | 0 | 0 | 0 | 108.4 | D26 D30 | D26-V28 PolarHBondContact O-N 3.47Å; D26-V28 VanDerWaalsContact O-N 3.11Å; V28-D30 PolarHBondContact O-N 3.45Å | ||
| 29 | D | 56.4 | Low | 58 | Low | 114 Ų | 114 | 146.3 Ų | 146.3 | 61% | 0.61 | 76% | 0.757 | S | S | * | * | trans | -69.8 | 99.4 | 176.9 | -172.6 | 17.3 | 0 | 0 | 0 | 109 | V27 Q31 | V27-D29 PolarHBondContact O-N 2.94Å; D29-Q31 PolarHBondContact O-N 3.48Å; D29-Q31 WeakPolarHBondContact OD2-CG 3.49Å; D29-Q31 PolarHBondContact OD2-NE2 3.17Å | ||
| 30 | D | 59.3 | Low | 59.3 | Low | 150 Ų | 150 | 150.9 Ų | 150.9 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | trans | -74.7 | 60.9 | 178.1 | 51 | -49.2 | 0 | 0 | 0 | 111.8 | V28 E32 | V28-D30 PolarHBondContact O-N 3.45Å; D30-E32 VanDerWaalsContact C-N 3.3Å; D30-E32 PolarHBondContact O-N 3.21Å | ||
| 31 | Q | 55.9 | Low | 60.8 | Low | 154 Ų | 154 | 147.3 Ų | 147.3 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | -64.8 | 92.4 | 163 | -63.5 | -167.8 | 23.2 | 0 | 0 | 109 | D29 E33 | D29-Q31 PolarHBondContact O-N 3.48Å; D29-Q31 WeakPolarHBondContact OD2-CG 3.49Å; D29-Q31 PolarHBondContact OD2-NE2 3.17Å; Q31-E33 VanDerWaalsContact C-N 3.26Å; Q31-E33 PolarHBondContact O-N 3.05Å | ||
| 32 | E | 60.3 | Low | 61.6 | Low | 170 Ų | 170 | 143.6 Ų | 143.6 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | -63.6 | 85.8 | 171.8 | -165.5 | -175.3 | -165.5 | 0 | 0 | 109.3 | D30 V34 | D30-E32 VanDerWaalsContact C-N 3.3Å; D30-E32 PolarHBondContact O-N 3.21Å; E32-V34 HydrophobicContact CG-CG2 3.98Å; E32-V34 WeakPolarHBondContact O-CG2 3.36Å; E32-V34 PolarHBondContact O-N 3.43Å | ||
| 33 | E | 62 | Low | 62.6 | Low | 154 Ų | 154 | 147 Ų | 147 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | -71.2 | 84.9 | 174.5 | -164.8 | 176.8 | -159.3 | 0 | 0 | 109 | Q31 H35 | Q31-E33 VanDerWaalsContact C-N 3.26Å; Q31-E33 PolarHBondContact O-N 3.05Å; E33-H35 VanDerWaalsContact C-N 3.26Å; E33-H35 PolarHBondContact O-N 3.05Å; E33-H35 IonicContact OE2-CE1 3.89Å | ||
| 34 | V | 61.1 | Low | 62.9 | Low | 108 Ų | 108 | 147.2 Ų | 147.2 | 66% | 0.655 | 76% | 0.756 | S | S | * | * | trans | -67.6 | 82.7 | -177.9 | -168 | 0 | 0 | 0 | 0 | 110.2 | E32 S36 | E32-V34 HydrophobicContact CG-CG2 3.98Å; E32-V34 WeakPolarHBondContact O-CG2 3.36Å; E32-V34 PolarHBondContact O-N 3.43Å; V34-S36 PolarHBondContact O-N 3.41Å | ||
| 35 | H | 58.2 | Low | 63 | Low | 143 Ų | 143 | 146.9 Ų | 146.9 | 66% | 0.662 | 76% | 0.758 | S | S | * | * | trans | -58.7 | 100 | 169.1 | -72.3 | -32.5 | 0 | 0 | 0 | 109.4 | E33 V37 | E33-H35 VanDerWaalsContact C-N 3.26Å; E33-H35 PolarHBondContact O-N 3.05Å; E33-H35 IonicContact OE2-CE1 3.89Å; H35-V37 VanDerWaalsContact C-N 3.28Å; H35-V37 PolarHBondContact O-N 2.82Å | ||
| 36 | S | 60.8 | Low | 63.7 | Low | 95 Ų | 95 | 143.5 Ų | 143.5 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | trans | -72 | 80.3 | 179.9 | 58.9 | 0 | 0 | 0 | 0 | 111.3 | V34 R38 | V34-S36 PolarHBondContact O-N 3.41Å; S36-R38 PolarHBondContact O-N 3.5Å | ||
| 37 | V | 66.4 | Low | 63.4 | Low | 118 Ų | 118 | 143.1 Ų | 143.1 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | trans | -64.5 | 95.4 | 179.4 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | H35 I39 | H35-V37 VanDerWaalsContact C-N 3.28Å; H35-V37 PolarHBondContact O-N 2.82Å; V37-I39 HydrophobicContact CG1-CG1 4.02Å; V37-I39 PolarHBondContact O-N 2.88Å; V37-I39 VanDerWaalsContact O-N 3.15Å | ||
| 38 | R | 70.2 | Confident | 63 | Low | 201 Ų | 201 | 145.3 Ų | 145.3 | 76% | 0.758 | 75% | 0.754 | S | S | * | * | trans | -79.4 | 92.2 | 172.3 | -69.2 | -174.7 | 178.7 | -167.5 | -0.3 | 110 | S36 F40 | S36-R38 PolarHBondContact O-N 3.5Å; R38-F40 HydrophobicContact CB-CE2 4.32Å; R38-F40 WeakPolarHBondContact O-CD2 3.4Å; R38-F40 PolarHBondContact O-N 3.34Å | ||
| 39 | I | 69.6 | Low | 63 | Low | 154 Ų | 154 | 151 Ų | 151 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -70.2 | 113.5 | 171.5 | -54.2 | 178.3 | 0 | 0 | 0 | 108.6 | V37 | V37-I39 HydrophobicContact CG1-CG1 4.02Å; V37-I39 PolarHBondContact O-N 2.88Å; V37-I39 VanDerWaalsContact O-N 3.15Å | ||
| 40 | F | 74.9 | Confident | 63 | Low | 166 Ų | 166 | 154.7 Ų | 154.7 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 148.2 | 171.8 | -71.1 | -84.6 | 0 | 0 | 0 | 110.8 | R38 | R38-F40 HydrophobicContact CB-CE2 4.32Å; R38-F40 WeakPolarHBondContact O-CD2 3.4Å; R38-F40 PolarHBondContact O-N 3.34Å |
| 41 | P | 74.4 | Confident | 62.1 | Low | 115 Ų | 115 | 158.6 Ų | 158.6 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -61 | 145.9 | 170.2 | 27.2 | -34.3 | 0 | 0 | 0 | 110.5 | R43 | P41-R43 PolarHBondContact O-N 3.47Š|
| 42 | A | 68.1 | Low | 61.4 | Low | 99 Ų | 99 | 155.2 Ų | 155.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 133.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 43 | R | 70.3 | Confident | 60.7 | Low | 230 Ų | 230 | 152.6 Ų | 152.6 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 139 | 173.4 | -66.4 | -177.4 | 179.5 | -178.1 | 0.3 | 108.9 | P41 I45 | P41-R43 PolarHBondContact O-N 3.47Å; R43-I45 PolarHBondContact O-N 3.33Å |
| 44 | P | 63.1 | Low | 59.7 | Low | 120 Ų | 120 | 151.2 Ų | 151.2 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 127.7 | 172.6 | 26.7 | -33.1 | 0 | 0 | 0 | 109.4 | N46 | P44-N46 PolarHBondContact O-N 3.44Š|
| 45 | I | 60.7 | Low | 58.7 | Low | 159 Ų | 159 | 151.4 Ų | 151.4 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | trans | -74.3 | 110.7 | 172.3 | -60.1 | 170.1 | 0 | 0 | 0 | 106.3 | R43 | R43-I45 PolarHBondContact O-N 3.33Š| ||
| 46 | N | 59.5 | Low | 57.5 | Low | 148 Ų | 148 | 150.3 Ų | 150.3 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -110 | 55.1 | 179.8 | -168.4 | 82.3 | 0 | 0 | 0 | 110.5 | P44 | P44-N46 PolarHBondContact O-N 3.44Š| ||
| 47 | D | 57.3 | Low | 56.3 | Low | 150 Ų | 150 | 151.6 Ų | 151.6 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -127.3 | 65.4 | 171 | -76.9 | -52.6 | 0 | 0 | 0 | 109.3 | R49 | D47-R49 PolarHBondContact O-N 3.41Š| ||
| 48 | E | 56.6 | Low | 54.7 | Low | 181 Ų | 181 | 155.9 Ų | 155.9 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -84.3 | 98 | 159.2 | -77.6 | -168.4 | 174 | 0 | 0 | 109.8 | ||||
| 49 | R | 58.8 | Low | 52.8 | Low | 241 Ų | 241 | 151.6 Ų | 151.6 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -163.4 | 148.3 | 136 | -92.7 | 129.2 | -143.2 | -94.4 | 2.3 | 109.1 | D47 | D47-R49 PolarHBondContact O-N 3.41Š| ||
| 50 | E | 54.9 | Low | 51.2 | Low | 193 Ų | 193 | 152.2 Ų | 152.2 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | 73.7 | 49.4 | 173.2 | -151.7 | 157.1 | -128.7 | 0 | 0 | 117 | ||||
| 51 | Y | 42.3 | Very low | 49.2 | Very low | 231 Ų | 231 | 154.2 Ų | 154.2 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | -77.8 | 120.1 | 139.4 | -108.1 | -88.9 | 0 | 0 | 0 | 108.6 | V53 | Y51-V53 PolarHBondContact O-N 2.82Š| ||
| 52 | A | 40.8 | Very low | 47.1 | Very low | 84 Ų | 84 | 151.9 Ų | 151.9 | 69% | 0.694 | 81% | 0.812 | S | S | * | * | trans | -67.5 | 104.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | C54 | A52-C54 PolarHBondContact O-N 3.36Š| ||
| 53 | V | 44.3 | Very low | 45.4 | Very low | 115 Ų | 115 | 155.2 Ų | 155.2 | 70% | 0.697 | 81% | 0.814 | S | S | * | * | trans | -72.7 | 95 | 171.5 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | Y51 T55 | Y51-V53 PolarHBondContact O-N 2.82Å; V53-T55 HydrophobicContact CG1-CG2 4.04Å; V53-T55 WeakPolarHBondContact CG1-OG1 3.23Å; V53-T55 PolarHBondContact O-N 2.9Å | ||
| 54 | C | 40.9 | Very low | 43.8 | Very low | 124 Ų | 124 | 152.2 Ų | 152.2 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -72.9 | 64.3 | 169.9 | -80.8 | 0 | 0 | 0 | 0 | 111.7 | A52 | A52-C54 PolarHBondContact O-N 3.36Š| ||
| 55 | T | 40.3 | Very low | 42.2 | Very low | 113 Ų | 113 | 154.5 Ų | 154.5 | 69% | 0.693 | 82% | 0.82 | S | S | * | * | trans | -116.5 | 72.6 | 159 | 61.4 | 0 | 0 | 0 | 0 | 108.7 | V53 | V53-T55 HydrophobicContact CG1-CG2 4.04Å; V53-T55 WeakPolarHBondContact CG1-OG1 3.23Å; V53-T55 PolarHBondContact O-N 2.9Å | ||
| 56 | S | 32.5 | Very low | 41.1 | Very low | 119 Ų | 119 | 155.2 Ų | 155.2 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -80 | 123 | 162.8 | -74.8 | 0 | 0 | 0 | 0 | 108.8 | ||
| 57 | P | 37.2 | Very low | 39.6 | Very low | 122 Ų | 122 | 151.7 Ų | 151.7 | 79% | 0.792 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 168.8 | 178.7 | 32 | -35.4 | 0 | 0 | 0 | 111.8 | ||
| 58 | F | 32.3 | Very low | 38.6 | Very low | 208 Ų | 208 | 150.1 Ų | 150.1 | 91% | 0.912 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 142.2 | 174.4 | -91.6 | -108.5 | 0 | 0 | 0 | 113.4 | ||
| 59 | S | 31.1 | Very low | 37.4 | Very low | 111 Ų | 111 | 149.1 Ų | 149.1 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 140.9 | 165.1 | -176.5 | 0 | 0 | 0 | 0 | 111.2 | ||
| 60 | Q | 35.4 | Very low | 36.5 | Very low | 167 Ų | 167 | 142.3 Ų | 142.3 | 78% | 0.78 | 82% | 0.819 | S | S | * | * | trans | -75.5 | 177.9 | 169.7 | -71.6 | -179.5 | -23.3 | 0 | 0 | 112.6 | ||||
| 61 | F | 33.5 | Very low | 35.4 | Very low | 208 Ų | 208 | 138.4 Ų | 138.4 | 91% | 0.912 | 81% | 0.808 | S | S | * | * | trans | 98.5 | 110.6 | 177 | -57.9 | -63.5 | 0 | 0 | 0 | 113.9 | ||||
| 62 | G | 30.1 | Very low | 35.2 | Very low | 67 Ų | 67 | 132.5 Ų | 132.5 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | cis | -162.9 | 161.3 | -8.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 63 | I | 30.8 | Very low | 34.9 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 86% | 0.862 | 81% | 0.807 | S | S | * | * | -174.6 | 143.4 | 87.9 | -86.5 | 157.3 | 0 | 0 | 0 | 107.6 | |||||
| 64 | L | 36.8 | Very low | 34.5 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | trans | -74.4 | 131.1 | 167.7 | -65 | 164.7 | 0 | 0 | 0 | 110.1 | ||||
| 65 | N | 30.7 | Very low | 34.4 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | -152.5 | 153.1 | 137.3 | -136.1 | -15.5 | 0 | 0 | 0 | 114 | ||||
| 66 | L | 36.2 | Very low | 34 | Very low | 174 Ų | 174 | 137.2 Ų | 137.2 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | -93.9 | 139.5 | -170.4 | -163 | 77.5 | 0 | 0 | 0 | 110.6 | ||||
| 67 | G | 30 | Very low | 34.3 | Very low | 75 Ų | 75 | 139.9 Ų | 139.9 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | 156 | 113 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 68 | S | 35.3 | Very low | 34.2 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -67.5 | 152 | 175.5 | -46.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 69 | I | 31.2 | Very low | 34.5 | Very low | 159 Ų | 159 | 138 Ų | 138 | 82% | 0.815 | 81% | 0.81 | S | S | * | * | -169 | 134.2 | 122.8 | -94 | 148.5 | 0 | 0 | 0 | 108.3 | V71 | I69-V71 HydrophobicContact CG2-CG2 4.21Š| |||
| 70 | A | 39.6 | Very low | 34.7 | Very low | 99 Ų | 99 | 138 Ų | 138 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -88.9 | 135.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 71 | V | 31.7 | Very low | 34.8 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 67% | 0.673 | 81% | 0.806 | S | S | * | * | trans | -135.9 | 117.4 | 159.3 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | I69 F73 | I69-V71 HydrophobicContact CG2-CG2 4.21Å; V71-F73 HydrophobicContact CG1-CD2 3.99Å; V71-F73 HydrophobicContact CG1-CE2 3.51Å; V71-F73 HydrophobicContact CG1-CZ 4.25Å | ||
| 72 | S | 39.2 | Very low | 34.9 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -81.4 | 137.3 | 174 | 50.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 73 | F | 33.5 | Very low | 35.2 | Very low | 189 Ų | 189 | 140.4 Ų | 140.4 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | trans | -138.3 | 142 | 155.1 | -77.5 | -70.1 | 0 | 0 | 0 | 111.2 | V71 | V71-F73 HydrophobicContact CG1-CD2 3.99Å; V71-F73 HydrophobicContact CG1-CE2 3.51Å; V71-F73 HydrophobicContact CG1-CZ 4.25Å | ||
| 74 | P | 37 | Very low | 35.9 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | -102.5 | 162.1 | -170.2 | 40 | -35.7 | 0 | 0 | 0 | 114.4 | ||||
| 75 | D | 38.6 | Very low | 36.3 | Very low | 156 Ų | 156 | 138.7 Ų | 138.7 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | 36.6 | 128.6 | 143.3 | -137.8 | -13 | 0 | 0 | 0 | 121.3 | ||||
| 76 | G | 31.7 | Very low | 37.1 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | -178.4 | 95 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 77 | Q | 38.3 | Very low | 37.9 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -66.9 | 144.9 | -171.8 | -62.2 | 170.6 | 5.6 | 0 | 0 | 114.5 | ||||
| 78 | L | 35.4 | Very low | 38.9 | Very low | 170 Ų | 170 | 136.3 Ų | 136.3 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | -136.4 | 145.7 | 145.8 | -76.3 | 177.9 | 0 | 0 | 0 | 110.1 | ||||
| 79 | P | 37.9 | Very low | 39.8 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 140.1 | -164.3 | 9.7 | 10.7 | 0 | 0 | 0 | 113.4 | ||
| 80 | C | 36.8 | Very low | 41.1 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 75% | 0.75 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 131.2 | 168.2 | -68.4 | 0 | 0 | 0 | 0 | 110.9 | H82 | C80-H82 PolarHBondContact O-N 2.88Š|
| 81 | P | 36.5 | Very low | 41.9 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 119.9 | 175.6 | 29 | -32.4 | 0 | 0 | 0 | 111.2 | Y83 | P81-Y83 PolarHBondContact O-N 3.37Š|
| 82 | H | 36.6 | Very low | 43.1 | Very low | 180 Ų | 180 | 142.9 Ų | 142.9 | 83% | 0.833 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 119.6 | 175.3 | -73.1 | -97.6 | 0 | 0 | 0 | 111.4 | C80 T84 | C80-H82 PolarHBondContact O-N 2.88Å; H82-T84 PolarHBondContact O-N 3.16Å |
| 83 | Y | 36.1 | Very low | 43.6 | Very low | 202 Ų | 202 | 146.4 Ų | 146.4 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | trans | -80.1 | 101 | 165.6 | -88.1 | -94.5 | 0 | 0 | 0 | 110.3 | P81 F85 | P81-Y83 PolarHBondContact O-N 3.37Å; Y83-F85 PolarHBondContact O-N 3.08Å | ||
| 84 | T | 45.7 | Very low | 44.1 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -82.2 | 108.6 | 172.3 | -50.8 | 0 | 0 | 0 | 0 | 110.1 | H82 | H82-T84 PolarHBondContact O-N 3.16Š| ||
| 85 | F | 45.3 | Very low | 44.8 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 74% | 0.737 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 148.9 | 172.9 | -67.3 | -87.1 | 0 | 0 | 0 | 111.6 | Y83 | Y83-F85 PolarHBondContact O-N 3.08Š|
| 86 | P | 46.5 | Very low | 45.3 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 134.5 | -178.1 | -20.1 | 32.7 | 0 | 0 | 0 | 113.2 | V88 | P86-V88 PolarHBondContact O-N 3.03Š|
| 87 | V | 53.9 | Low | 46.3 | Very low | 131 Ų | 131 | 152.6 Ų | 152.6 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 120 | 174.4 | 175.7 | 0 | 0 | 0 | 0 | 110 | ||
| 88 | V | 50.9 | Low | 46.8 | Very low | 116 Ų | 116 | 152.3 Ų | 152.3 | 70% | 0.703 | 78% | 0.783 | S | S | * | * | trans | -83 | 113.3 | 173.7 | 170.6 | 0 | 0 | 0 | 0 | 110 | P86 R90 | P86-V88 PolarHBondContact O-N 3.03Å; V88-R90 WeakPolarHBondContact O-CG 3.2Å; V88-R90 PolarHBondContact O-N 3.5Å | ||
| 89 | N | 52.6 | Low | 47.1 | Very low | 117 Ų | 117 | 151 Ų | 151 | 63% | 0.626 | 78% | 0.781 | S | S | * | * | trans | -64.4 | 112.8 | 173.1 | -70.1 | -23.1 | 0 | 0 | 0 | 110.4 | D91 | N89-D91 VanDerWaalsContact C-N 3.32Š| ||
| 90 | R | 59.5 | Low | 47.5 | Very low | 212 Ų | 212 | 154.7 Ų | 154.7 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -85 | -7.5 | -174.7 | -56.9 | 179.3 | 96.3 | 107.7 | -6.4 | 113 | V88 I92 | V88-R90 WeakPolarHBondContact O-CG 3.2Å; V88-R90 PolarHBondContact O-N 3.5Å; R90-I92 PolarHBondContact O-N 3.42Å |
| 91 | D | 56.4 | Low | 47.8 | Very low | 149 Ų | 149 | 155.5 Ų | 155.5 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -87.9 | -3.2 | -165.3 | -52.5 | -64.3 | 0 | 0 | 0 | 114.9 | N89 | N89-D91 VanDerWaalsContact C-N 3.32Š|
| 92 | I | 56.9 | Low | 47.8 | Very low | 146 Ų | 146 | 156.6 Ų | 156.6 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -96.9 | 10.8 | 179.4 | -42.2 | 169.5 | 0 | 0 | 0 | 111.2 | R90 P94 | R90-I92 PolarHBondContact O-N 3.42Å; I92-P94 WeakPolarHBondContact O-CD 3.47Å |
| 93 | K | 49.2 | Very low | 47.8 | Very low | 181 Ų | 181 | 157.6 Ų | 157.6 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | trans | -76 | 117.6 | 173.9 | -95.5 | -170.6 | 172.8 | -172.9 | 0 | 111 | G95 | K93-G95 PolarHBondContact O-N 3.49Š| ||
| 94 | P | 44.7 | Very low | 47.6 | Very low | 132 Ų | 132 | 158.6 Ų | 158.6 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 135.1 | 175.1 | 28.7 | -33.6 | 0 | 0 | 0 | 110.2 | I92 | I92-P94 WeakPolarHBondContact O-CD 3.47Š|
| 95 | G | 52.3 | Low | 47.9 | Very low | 75 Ų | 75 | 157.9 Ų | 157.9 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 133.2 | -17 | 169 | 0 | 0 | 0 | 0 | 0 | 117 | K93 R97 | K93-G95 PolarHBondContact O-N 3.49Å; G95-R97 PolarHBondContact O-N 2.93Å; G95-R97 VanDerWaalsContact O-N 3.15Å |
| 96 | R | 48.3 | Very low | 47.7 | Very low | 213 Ų | 213 | 155.6 Ų | 155.6 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -89.7 | 80.5 | -174.7 | -153.5 | 175.9 | -158.4 | -148.3 | 5.3 | 113.7 | K98 | R96-K98 PolarHBondContact O-N 3.05Š| ||
| 97 | R | 52.9 | Low | 47.4 | Very low | 245 Ų | 245 | 155.4 Ų | 155.4 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | -57.2 | 134.1 | 168.9 | -68.6 | -179 | 174.6 | 177.8 | -1.7 | 110.7 | G95 | G95-R97 PolarHBondContact O-N 2.93Å; G95-R97 VanDerWaalsContact O-N 3.15Å | ||
| 98 | K | 49.3 | Very low | 46.5 | Very low | 169 Ų | 169 | 155 Ų | 155 | 74% | 0.735 | 78% | 0.784 | S | S | * | * | trans | -121.2 | 129 | 173.4 | -82.7 | -77.1 | -172.2 | 168.2 | 0 | 109.9 | R96 | R96-K98 PolarHBondContact O-N 3.05Š| ||
| 99 | V | 39.8 | Very low | 45.6 | Very low | 141 Ų | 141 | 157.7 Ų | 157.7 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -81.6 | 138.8 | -177.4 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 100 | K | 46.5 | Very low | 45 | Very low | 198 Ų | 198 | 157.4 Ų | 157.4 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -81.8 | 151.1 | 170.9 | -68.6 | -176.8 | 175.9 | -177.1 | 0 | 111.4 | ||||
| 101 | P | 44.8 | Very low | 43.6 | Very low | 128 Ų | 128 | 155.7 Ų | 155.7 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | trans | -106.7 | 167.1 | 140.2 | 33.4 | -25.5 | 0 | 0 | 0 | 111.8 | ||||
| 102 | D | 35.2 | Very low | 42.4 | Very low | 135 Ų | 135 | 156.3 Ų | 156.3 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -122.1 | 172 | -159.9 | 178.3 | 36.7 | 0 | 0 | 0 | 113.1 | ||||
| 103 | R | 37.3 | Very low | 41.2 | Very low | 201 Ų | 201 | 157.6 Ų | 157.6 | 76% | 0.758 | 80% | 0.795 | S | S | * | * | trans | 78.8 | 135.4 | 164.3 | -84.9 | 157.1 | -174.6 | -148.1 | -6.1 | 118.1 | ||||
| 104 | R | 30.9 | Very low | 40.2 | Very low | 222 Ų | 222 | 154.7 Ų | 154.7 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | cis | -141 | 164.9 | 10.6 | -78.3 | -176.4 | -172.3 | 154.7 | 4.3 | 113 | ||||
| 105 | P | 52.2 | Low | 39.5 | Very low | 117 Ų | 117 | 155.1 Ų | 155.1 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -100.1 | 167.4 | -176.3 | 41.5 | -36.9 | 0 | 0 | 0 | 114.5 | ||||
| 106 | P | 42.5 | Very low | 38.5 | Very low | 121 Ų | 121 | 160.9 Ų | 160.9 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | -150.9 | -168.6 | 95 | 40.7 | -22.6 | 0 | 0 | 0 | 113.9 | |||||
| 107 | P | 39.2 | Very low | 37.7 | Very low | 114 Ų | 114 | 155.9 Ų | 155.9 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | cis | -125.2 | 156.4 | -49 | 34.8 | -19.5 | 0 | 0 | 0 | 114.7 | ||||
| 108 | V | 35.6 | Very low | 36.6 | Very low | 124 Ų | 124 | 155.6 Ų | 155.6 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | 15.6 | 122.4 | 146.9 | -171.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 109 | E | 32.3 | Very low | 35.6 | Very low | 172 Ų | 172 | 159 Ų | 159 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | -162.6 | 157.8 | 115.8 | -93.8 | -64 | 108.4 | 0 | 0 | 107.9 | |||||
| 110 | P | 39.9 | Very low | 35.1 | Very low | 111 Ų | 111 | 156.8 Ų | 156.8 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | trans | -93.7 | 163.4 | -150.7 | 35.3 | -37.3 | 0 | 0 | 0 | 117.9 | ||||
| 111 | E | 30.4 | Very low | 34.5 | Very low | 175 Ų | 175 | 152.4 Ų | 152.4 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -78.5 | 155 | 178.1 | -80.3 | -179 | 144 | 0 | 0 | 114.9 | ||||
| 112 | E | 30.8 | Very low | 33.9 | Very low | 163 Ų | 163 | 152.1 Ų | 152.1 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | 39.8 | 132.8 | 147.5 | -59.8 | -163.1 | 130.5 | 0 | 0 | 119.8 | ||||
| 113 | Q | 30.1 | Very low | 34 | Very low | 173 Ų | 173 | 151.6 Ų | 151.6 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | -162.9 | 148 | 71 | -87.6 | 175.6 | -0.9 | 0 | 0 | 114 | |||||
| 114 | V | 29.5 | Very low | 34 | Very low | 119 Ų | 119 | 150.1 Ų | 150.1 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | trans | 16.9 | 113.2 | 138.1 | -172.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 115 | N | 30.3 | Very low | 35.2 | Very low | 142 Ų | 142 | 145 Ų | 145 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | 177.5 | 114.9 | 130.6 | -94.4 | -45 | 0 | 0 | 0 | 113 | ||||
| 116 | H | 31.5 | Very low | 34.5 | Very low | 195 Ų | 195 | 145.5 Ų | 145.5 | 90% | 0.903 | 79% | 0.794 | S | S | * | * | trans | -127.5 | 83.9 | 163 | -71.8 | -23.5 | 0 | 0 | 0 | 110.7 | ||||
| 117 | S | 31.2 | Very low | 34.2 | Very low | 109 Ų | 109 | 145 Ų | 145 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -64.4 | 128.1 | 155.1 | -80 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 118 | R | 29.7 | Very low | 35 | Very low | 239 Ų | 239 | 144.7 Ų | 144.7 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | 57.8 | 89.5 | 66.1 | -71 | -162.4 | 177.1 | -133.9 | 2 | 114.7 | |||||
| 119 | R | 27.9 | Very low | 34.9 | Very low | 240 Ų | 240 | 146.7 Ų | 146.7 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | trans | -163.7 | 138.6 | 144.9 | -97.7 | -159.6 | 176.5 | -150.8 | -1.5 | 106 | ||||
| 120 | S | 29.9 | Very low | 34.9 | Very low | 95 Ų | 95 | 145.3 Ų | 145.3 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | cis | -160.9 | 164.5 | -5.8 | -62.1 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 121 | S | 32.4 | Very low | 34.6 | Very low | 106 Ų | 106 | 146.3 Ų | 146.3 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | cis | -173.9 | 147.2 | -6.5 | 33.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 122 | S | 32.2 | Very low | 34.6 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -145.3 | 131.5 | 165.4 | -53.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 123 | P | 39.1 | Very low | 34.9 | Very low | 125 Ų | 125 | 141 Ų | 141 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -100.9 | 157.5 | 174 | 36.3 | -30.2 | 0 | 0 | 0 | 112.9 | ||||
| 124 | L | 36.3 | Very low | 35.3 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | -125.3 | -173.3 | 169.7 | -68 | 164 | 0 | 0 | 0 | 108.2 | ||||
| 125 | P | 55.4 | Low | 35.5 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | -105.1 | -170.8 | -94.1 | 37.3 | -20.2 | 0 | 0 | 0 | 112.4 | |||||
| 126 | P | 38 | Very low | 35.8 | Very low | 128 Ų | 128 | 141 Ų | 141 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | -150.2 | 176.9 | 101.1 | 38.4 | -20.3 | 0 | 0 | 0 | 116 | |||||
| 127 | S | 35.9 | Very low | 35.8 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -103.4 | -167.8 | 174.1 | 56 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 128 | P | 56.8 | Low | 36.1 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | -123.4 | 162.7 | -50.3 | 34.7 | -21.5 | 0 | 0 | 0 | 112.5 | |||||
| 129 | L | 32.6 | Very low | 36.2 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -175.6 | 172.9 | 141.8 | -128 | 72.5 | 0 | 0 | 0 | 114.3 | ||||
| 130 | D | 33.3 | Very low | 36.5 | Very low | 144 Ų | 144 | 125.3 Ų | 125.3 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -55.3 | 177.3 | -177.4 | -82.3 | -66.7 | 0 | 0 | 0 | 119.7 | ||||
| 131 | V | 33.1 | Very low | 36.7 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | 119 | 87.1 | 149.2 | -172.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 132 | S | 31.3 | Very low | 36.9 | Very low | 92 Ų | 92 | 136.1 Ų | 136.1 | 64% | 0.643 | 80% | 0.801 | S | S | * | * | 74.9 | 137.1 | 121 | -148.7 | 0 | 0 | 0 | 0 | 123 | |||||
| 133 | N | 36.1 | Very low | 36.7 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | trans | 65.4 | 118.2 | 155.8 | -64 | -23.9 | 0 | 0 | 0 | 120 | ||||
| 134 | N | 39.6 | Very low | 36.1 | Very low | 169 Ų | 169 | 136 Ų | 136 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | -159.8 | 151.4 | 87.7 | -92.8 | -52.4 | 0 | 0 | 0 | 114 | |||||
| 135 | L | 32.6 | Very low | 35.8 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -104.1 | 137.6 | -171.1 | 166.7 | 76.2 | 0 | 0 | 0 | 110.9 | ||||
| 136 | A | 36.7 | Very low | 34.5 | Very low | 98 Ų | 98 | 138.3 Ų | 138.3 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -177.1 | 132.5 | 143.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 137 | G | 31.9 | Very low | 33.9 | Very low | 66 Ų | 66 | 140 Ų | 140 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | trans | 75 | 81.1 | 153.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 138 | L | 36.3 | Very low | 33.7 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | 58.6 | 100.4 | 82.8 | -58.9 | 178.5 | 0 | 0 | 0 | 113.7 | |||||
| 139 | A | 32.9 | Very low | 32.6 | Very low | 83 Ų | 83 | 142.9 Ų | 142.9 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | 83.4 | 101.7 | 80.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 140 | V | 34.5 | Very low | 32.6 | Very low | 136 Ų | 136 | 143.9 Ų | 143.9 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | 57.1 | 111.1 | 89.4 | 178.2 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 141 | R | 33.9 | Very low | 32.4 | Very low | 249 Ų | 249 | 143.2 Ų | 143.2 | 94% | 0.94 | 77% | 0.771 | S | S | * | * | trans | -153 | 130.1 | 142.7 | -76.5 | -145.3 | 159.3 | -161 | -10.5 | 112.3 | ||||
| 142 | E | 36.8 | Very low | 32.3 | Very low | 179 Ų | 179 | 142.2 Ų | 142.2 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | -82.5 | 156.8 | 160.1 | -60 | 172.8 | 113 | 0 | 0 | 110.2 | ||||
| 143 | T | 27.6 | Very low | 32.5 | Very low | 132 Ų | 132 | 146.6 Ų | 146.6 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -172.9 | 126.6 | 131.1 | 23.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 144 | C | 26.9 | Very low | 32.4 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 75% | 0.75 | 78% | 0.776 | S | S | * | * | trans | 50.7 | 128.7 | 136.3 | -59.4 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 145 | R | 28.7 | Very low | 32.1 | Very low | 242 Ų | 242 | 144.9 Ų | 144.9 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | trans | 35.9 | 133.4 | 135.3 | -60.9 | -175.8 | 175.6 | -139.8 | 1.1 | 119.3 | ||||
| 146 | S | 28.2 | Very low | 32.1 | Very low | 90 Ų | 90 | 142.6 Ų | 142.6 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | -164.5 | 179.2 | 60.8 | -146.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 147 | E | 25.7 | Very low | 31.7 | Very low | 164 Ų | 164 | 148.2 Ų | 148.2 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | trans | -9.4 | 151.9 | 161.6 | -58.2 | 148.8 | 127.3 | 0 | 0 | 118.6 | ||||
| 148 | Q | 32.9 | Very low | 31.8 | Very low | 154 Ų | 154 | 154.9 Ų | 154.9 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | 179.5 | 129.5 | 59.5 | -174 | 148.9 | 9.1 | 0 | 0 | 114.1 | |||||
| 149 | M | 33.4 | Very low | 31.7 | Very low | 123 Ų | 123 | 152.5 Ų | 152.5 | 61% | 0.606 | 77% | 0.77 | S | S | * | * | trans | 55.7 | 138.8 | 143.1 | -78.5 | -175.6 | 119.1 | 0 | 0 | 126 | ||||
| 150 | R | 32 | Very low | 31.6 | Very low | 187 Ų | 187 | 155.7 Ų | 155.7 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | 75.1 | 150.4 | 139.4 | -73.3 | -178 | -53.7 | -132.9 | 0.8 | 118.8 | ||||
| 151 | N | 30.2 | Very low | 31.5 | Very low | 130 Ų | 130 | 153.6 Ų | 153.6 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | cis | -167.6 | 157.8 | -21.4 | -113.2 | 10.4 | 0 | 0 | 0 | 110.1 | ||||
| 152 | T | 29.3 | Very low | 31.3 | Very low | 111 Ų | 111 | 152.5 Ų | 152.5 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | trans | 28.7 | 127.9 | 146.8 | 61.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 153 | E | 35.8 | Very low | 31 | Very low | 185 Ų | 185 | 149.1 Ų | 149.1 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | -169.3 | 122.5 | 103.8 | -96.1 | -178.4 | 128.5 | 0 | 0 | 107.4 | |||||
| 154 | K | 34.3 | Very low | 31.7 | Very low | 166 Ų | 166 | 148.5 Ų | 148.5 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | 60.8 | 111.6 | 71.1 | -82 | -156 | 158.4 | -132.4 | 0 | 115.3 | D156 | K154-D156 IonicContact NZ-OD2 2.82Å; K154-D156 PolarHBondContact NZ-OD2 3.44Å | |||
| 155 | A | 33.8 | Very low | 32 | Very low | 100 Ų | 100 | 152.4 Ų | 152.4 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | -135 | 96.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 156 | D | 31.5 | Very low | 32.1 | Very low | 120 Ų | 120 | 145.7 Ų | 145.7 | 64% | 0.642 | 76% | 0.755 | S | S | * | * | trans | -77 | 135.8 | 171 | -76.6 | -67.6 | 0 | 0 | 0 | 109.2 | K154 | K154-D156 IonicContact NZ-OD2 2.82Å; K154-D156 PolarHBondContact NZ-OD2 3.44Å | ||
| 157 | F | 29 | Very low | 32.3 | Very low | 216 Ų | 216 | 146.8 Ų | 146.8 | 95% | 0.947 | 76% | 0.758 | S | S | * | * | trans | -131.1 | 115.1 | 156.4 | -99.8 | -77.9 | 0 | 0 | 0 | 110.1 | ||||
| 158 | R | 33.9 | Very low | 32.7 | Very low | 206 Ų | 206 | 145.8 Ų | 145.8 | 78% | 0.777 | 76% | 0.756 | S | S | * | * | trans | -135.9 | 130.9 | 177.2 | -161.1 | -173.1 | -152.1 | -130.3 | 11.1 | 107.6 | H160 | R158-H160 PolarHBondContact NH1-CE1 3.19Å; R158-H160 PolarHBondContact NH1-NE2 2.91Å; R158-H160 VanDerWaalsContact NH1-NE2 3.17Å | ||
| 159 | S | 34.3 | Very low | 32.6 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | -135.3 | 135.4 | 166.7 | 41.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 160 | H | 31.1 | Very low | 32.6 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | trans | -86 | 168.8 | 176.9 | -64 | -114.6 | 0 | 0 | 0 | 108.5 | R158 | R158-H160 PolarHBondContact NH1-CE1 3.19Å; R158-H160 PolarHBondContact NH1-NE2 2.91Å; R158-H160 VanDerWaalsContact NH1-NE2 3.17Å | ||
| 161 | A | 32.8 | Very low | 33.3 | Very low | 92 Ų | 92 | 143.4 Ų | 143.4 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | cis | -139.3 | -151.3 | 8.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 162 | R | 28.9 | Very low | 33.2 | Very low | 227 Ų | 227 | 140.9 Ų | 140.9 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | cis | -160.9 | 158 | 10.5 | -153 | -177.5 | -174.7 | -179.8 | 2.5 | 110.3 | ||||
| 163 | S | 31.7 | Very low | 33.4 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -124.6 | 152.7 | 157.6 | -60.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 164 | P | 42.3 | Very low | 33.3 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | -133.4 | 158.3 | 126.2 | 15.8 | 5.4 | 0 | 0 | 0 | 112.9 | |||||
| 165 | Q | 33.1 | Very low | 33.3 | Very low | 193 Ų | 193 | 140.8 Ų | 140.8 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -88.2 | 154 | 172.2 | -63.5 | 169.5 | -23.6 | 0 | 0 | 110.7 | ||||
| 166 | S | 29 | Very low | 33.5 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | 158.7 | 119.8 | 117.7 | -160.8 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 167 | T | 32.9 | Very low | 33.7 | Very low | 113 Ų | 113 | 146.2 Ų | 146.2 | 69% | 0.693 | 79% | 0.79 | S | S | * | * | trans | 59.6 | 127.1 | 137.6 | 56.1 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 168 | I | 34.7 | Very low | 34.3 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | 103.1 | 131.1 | 132.5 | -73.6 | 162.6 | 0 | 0 | 0 | 119.7 | ||||
| 169 | D | 29.9 | Very low | 34.6 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | 78.4 | 149.8 | 164.4 | -63.8 | -23.7 | 0 | 0 | 0 | 124.3 | ||||
| 170 | V | 34.4 | Very low | 34.6 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -146.1 | 163 | -160.8 | 168.1 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 171 | P | 46.6 | Very low | 35 | Very low | 123 Ų | 123 | 144 Ų | 144 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | cis | -119.2 | 170.5 | -15 | 30.3 | -12.6 | 0 | 0 | 0 | 113.9 | ||||
| 172 | G | 28.6 | Very low | 35.4 | Very low | 78 Ų | 78 | 146.6 Ų | 146.6 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -149.9 | 123.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 173 | M | 33 | Very low | 36 | Very low | 179 Ų | 179 | 143.5 Ų | 143.5 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -79.2 | 139.8 | -174.8 | -60 | -109 | 72.4 | 0 | 0 | 112.2 | ||||
| 174 | L | 34.3 | Very low | 36.2 | Very low | 134 Ų | 134 | 146.9 Ų | 146.9 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | 163.1 | 117.8 | 106 | -164.8 | 72.9 | 0 | 0 | 0 | 110 | |||||
| 175 | N | 33.4 | Very low | 36.1 | Very low | 146 Ų | 146 | 146.4 Ų | 146.4 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | -134.6 | 118.9 | 170.9 | -161.7 | 13.1 | 0 | 0 | 0 | 108.4 | ||||
| 176 | H | 37.6 | Very low | 36.4 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 73% | 0.731 | 78% | 0.779 | S | S | * | * | trans | -108 | 82.7 | -178.9 | -77.4 | -48.1 | 0 | 0 | 0 | 110.9 | ||||
| 177 | Q | 37.3 | Very low | 37.2 | Very low | 176 Ų | 176 | 148.3 Ų | 148.3 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -95.7 | 136.5 | 162.4 | -168.9 | 161.9 | -23.6 | 0 | 0 | 109.2 | H179 | Q177-H179 PolarHBondContact O-N 3.18Š| ||
| 178 | R | 40.5 | Very low | 37.7 | Very low | 223 Ų | 223 | 151.6 Ų | 151.6 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | -81.9 | 119.2 | -163.4 | -73.2 | -178.4 | 173.7 | 163.6 | -2.3 | 113.5 | ||||
| 179 | H | 40.7 | Very low | 37.9 | Very low | 163 Ų | 163 | 152.9 Ų | 152.9 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | 40.4 | 98.5 | 136.5 | -46.8 | -64.8 | 0 | 0 | 0 | 118.6 | Q177 | Q177-H179 PolarHBondContact O-N 3.18Š| ||
| 180 | S | 33.2 | Very low | 38.2 | Very low | 101 Ų | 101 | 152 Ų | 152 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -85.1 | 158.7 | 131.2 | 61.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 181 | L | 40.8 | Very low | 38 | Very low | 156 Ų | 156 | 156.2 Ų | 156.2 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | trans | -129.9 | 89.7 | 168 | -74.5 | 176.6 | 0 | 0 | 0 | 107.9 | ||||
| 182 | D | 40.1 | Very low | 37.3 | Very low | 148 Ų | 148 | 155.3 Ų | 155.3 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -86.3 | 140 | 157.1 | -74.5 | -52 | 0 | 0 | 0 | 108.5 | ||||
| 183 | L | 41.1 | Very low | 37.9 | Very low | 161 Ų | 161 | 160.6 Ų | 160.6 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -123 | 79.8 | 172.4 | -95.8 | 163 | 0 | 0 | 0 | 108.7 | ||||
| 184 | E | 37.5 | Very low | 37.9 | Very low | 180 Ų | 180 | 160.9 Ų | 160.9 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | trans | -83.5 | 137.9 | 158.9 | -172.3 | 177.6 | 178.6 | 0 | 0 | 108 | ||||
| 185 | T | 40.1 | Very low | 38 | Very low | 109 Ų | 109 | 162.1 Ų | 162.1 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | trans | -146.4 | 86.7 | 177.5 | -52.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 186 | H | 39.8 | Very low | 38.1 | Very low | 173 Ų | 173 | 161.6 Ų | 161.6 | 80% | 0.801 | 80% | 0.8 | S | S | * | * | trans | 43.7 | 112.6 | 146 | -59.3 | -62 | 0 | 0 | 0 | 120.5 | ||||
| 187 | D | 45.5 | Very low | 38.2 | Very low | 160 Ų | 160 | 162.5 Ų | 162.5 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -53.6 | 146.3 | 143.6 | -73.7 | -61.3 | 0 | 0 | 0 | 112.2 | ||||
| 188 | L | 42.4 | Very low | 38.2 | Very low | 181 Ų | 181 | 157.3 Ų | 157.3 | 95% | 0.948 | 80% | 0.798 | S | S | * | * | -151 | 148.5 | 129.4 | -101.4 | -178.2 | 0 | 0 | 0 | 110.3 | |||||
| 189 | E | 39.5 | Very low | 37.7 | Very low | 171 Ų | 171 | 155.9 Ų | 155.9 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | trans | -99.5 | 176.8 | -157.7 | -165.6 | -166.1 | -178.9 | 0 | 0 | 113.1 | ||||
| 190 | I | 35.8 | Very low | 37.5 | Very low | 136 Ų | 136 | 152.1 Ų | 152.1 | 70% | 0.697 | 81% | 0.809 | S | S | * | * | trans | 100.7 | 104.7 | 153.2 | -57 | 168.9 | 0 | 0 | 0 | 118.2 | ||||
| 191 | R | 30.8 | Very low | 37.7 | Very low | 224 Ų | 224 | 152.4 Ų | 152.4 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | 111.5 | 134.7 | 129.8 | 178.5 | 171.5 | -80.4 | 168.4 | -5 | 120.5 | |||||
| 192 | S | 31.2 | Very low | 38 | Very low | 105 Ų | 105 | 154.9 Ų | 154.9 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | 85.3 | 110.1 | 157.1 | 56.3 | 0 | 0 | 0 | 0 | 119.1 | Q194 | S192-Q194 PolarHBondContact O-N 3.28Š| ||
| 193 | H | 41.9 | Very low | 38.3 | Very low | 188 Ų | 188 | 157.6 Ų | 157.6 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | trans | -57 | 127.5 | 153 | -60.7 | -104.3 | 0 | 0 | 0 | 109.8 | ||||
| 194 | Q | 33.5 | Very low | 38.6 | Very low | 185 Ų | 185 | 156.9 Ų | 156.9 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -153.2 | 119 | 144.1 | -120.8 | 160.3 | 59.1 | 0 | 0 | 112.4 | S192 V196 | S192-Q194 PolarHBondContact O-N 3.28Å; Q194-V196 PolarHBondContact O-N 3.38Å | ||
| 195 | H | 35.4 | Very low | 39.2 | Very low | 160 Ų | 160 | 156.1 Ų | 156.1 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -50.3 | 122.1 | 164.2 | 159.1 | -67.8 | 0 | 0 | 0 | 111.5 | ||||
| 196 | V | 35.2 | Very low | 39.6 | Very low | 135 Ų | 135 | 159.7 Ų | 159.7 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -144.8 | 122.1 | 154.5 | -82.9 | 0 | 0 | 0 | 0 | 110 | Q194 | Q194-V196 PolarHBondContact O-N 3.38Š| ||
| 197 | E | 39.7 | Very low | 40.1 | Very low | 178 Ų | 178 | 159.4 Ų | 159.4 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -72.5 | 151.2 | 162.5 | -57.7 | 171.1 | 116.7 | 0 | 0 | 109.4 | ||||
| 198 | G | 37.2 | Very low | 40 | Very low | 67 Ų | 67 | 162.3 Ų | 162.3 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | trans | 148.9 | 116.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 199 | M | 30.8 | Very low | 40.3 | Very low | 193 Ų | 193 | 159.5 Ų | 159.5 | 95% | 0.951 | 80% | 0.796 | S | S | * | * | trans | 66.5 | 93.2 | 147.7 | -72.5 | 135.3 | 74.4 | 0 | 0 | 119 | ||||
| 200 | G | 35.4 | Very low | 40.6 | Very low | 84 Ų | 84 | 159.6 Ų | 159.6 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | -57.9 | 155.6 | 170 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 201 | S | 37.9 | Very low | 41.3 | Very low | 107 Ų | 107 | 157.5 Ų | 157.5 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -104.1 | 111.2 | 167.6 | -179 | 0 | 0 | 0 | 0 | 109.1 | R203 | S201-R203 PolarHBondContact O-N 3.12Å; S201-R203 VanDerWaalsContact O-N 3.17Å | ||
| 202 | R | 48.1 | Very low | 42.3 | Very low | 208 Ų | 208 | 155 Ų | 155 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -56.9 | 117.4 | 175.1 | -89.7 | -175 | 169 | -150.3 | 5.1 | 110.3 | H204 | R202-H204 PolarHBondContact NH1-CE1 3Å; R202-H204 PolarHBondContact NH1-NE2 3.17Å | ||
| 203 | R | 46 | Very low | 43.5 | Very low | 205 Ų | 205 | 155.6 Ų | 155.6 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | trans | -112.3 | 124.1 | 150.1 | -63.4 | -171.1 | -166.9 | -100.9 | 2.7 | 107.6 | S201 H205 | S201-R203 PolarHBondContact O-N 3.12Å; S201-R203 VanDerWaalsContact O-N 3.17Å; R203-H205 PolarHBondContact O-CD2 2.83Å; R203-H205 PolarHBondContact O-N 3.02Å | ||
| 204 | H | 46.4 | Very low | 43.8 | Very low | 145 Ų | 145 | 152 Ų | 152 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | trans | -75.3 | 94.9 | 178.9 | -79.9 | -93.8 | 0 | 0 | 0 | 109 | R202 | R202-H204 PolarHBondContact NH1-CE1 3Å; R202-H204 PolarHBondContact NH1-NE2 3.17Å | ||
| 205 | H | 51.3 | Low | 44.7 | Very low | 164 Ų | 164 | 150.6 Ų | 150.6 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | -75.2 | 132.7 | 164.2 | -69.8 | -92.6 | 0 | 0 | 0 | 108.4 | R203 E207 | R203-H205 PolarHBondContact O-CD2 2.83Å; R203-H205 PolarHBondContact O-N 3.02Å; H205-E207 VanDerWaalsContact C-N 3.35Å; H205-E207 PolarHBondContact O-N 3.11Å | ||
| 206 | H | 47.7 | Very low | 45.6 | Very low | 185 Ų | 185 | 150.6 Ų | 150.6 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | -74.7 | 93.1 | 169.7 | -73.6 | -92.5 | 0 | 0 | 0 | 108.1 | W208 | H206-W208 PolarHBondContact O-N 3Š| ||
| 207 | E | 51 | Low | 46.6 | Very low | 166 Ų | 166 | 152.1 Ų | 152.1 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -76.1 | 115.3 | 177.6 | -170.4 | 173.2 | -178.9 | 0 | 0 | 109.6 | H205 | H205-E207 VanDerWaalsContact C-N 3.35Å; H205-E207 PolarHBondContact O-N 3.11Å | ||
| 208 | W | 43.9 | Very low | 47 | Very low | 221 Ų | 221 | 149.9 Ų | 149.9 | 84% | 0.837 | 76% | 0.757 | S | S | * | * | trans | -70.7 | 139.6 | 163.1 | -78.3 | 87.1 | 0 | 0 | 0 | 108.3 | H206 Q210 | H206-W208 PolarHBondContact O-N 3Å; W208-Q210 PolarHBondContact O-N 3.13Å | ||
| 209 | P | 47.7 | Very low | 47.5 | Very low | 122 Ų | 122 | 154 Ų | 154 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | trans | -64.5 | 102.4 | -178.2 | -18.4 | 31 | 0 | 0 | 0 | 110.7 | T211 | P209-T211 PolarHBondContact O-N 3Š| ||
| 210 | Q | 45.8 | Very low | 48.2 | Very low | 174 Ų | 174 | 153.1 Ų | 153.1 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | -71.4 | 115.2 | 170.3 | -72.1 | -171.5 | -88.9 | 0 | 0 | 108.6 | W208 K212 | W208-Q210 PolarHBondContact O-N 3.13Å; Q210-K212 PolarHBondContact O-N 3.25Å | ||
| 211 | T | 49.7 | Very low | 48.7 | Very low | 91 Ų | 91 | 153.9 Ų | 153.9 | 56% | 0.558 | 74% | 0.742 | S | S | * | * | trans | -60.7 | 122.9 | 167.1 | 32.6 | 0 | 0 | 0 | 0 | 108.9 | P209 E213 | P209-T211 PolarHBondContact O-N 3Å; T211-E213 PolarHBondContact O-N 2.73Å | ||
| 212 | K | 52.3 | Low | 49.3 | Very low | 171 Ų | 171 | 153.9 Ų | 153.9 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 30 | -171.9 | 61.1 | -179.3 | 172.3 | 52.1 | 0 | 113.5 | Q210 | Q210-K212 PolarHBondContact O-N 3.25Š|
| 213 | E | 56 | Low | 48.9 | Very low | 119 Ų | 119 | 152.7 Ų | 152.7 | 56% | 0.556 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.2 | -15.1 | -173.9 | -70 | 88.7 | -152.1 | 0 | 0 | 113.7 | T211 I215 | T211-E213 PolarHBondContact O-N 2.73Å; E213-I215 PolarHBondContact O-N 2.91Å |
| 214 | D | 47.9 | Very low | 49.1 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -93.6 | 15.9 | -174.5 | -75.4 | -33.7 | 0 | 0 | 0 | 115.4 | D216 | D214-D216 VanDerWaalsContact C-N 3.29Å; D214-D216 PolarHBondContact O-N 2.73Å |
| 215 | I | 53.4 | Low | 49.4 | Very low | 156 Ų | 156 | 146 Ų | 146 | 80% | 0.8 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -77.2 | -11.8 | -175.7 | -70.7 | 176.9 | 0 | 0 | 0 | 113.2 | E213 | E213-I215 PolarHBondContact O-N 2.91Š|
| 216 | D | 55.1 | Low | 49 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 86% | 0.856 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -127.8 | 39.8 | -170.8 | -145.6 | 19 | 0 | 0 | 0 | 114.4 | D214 | D214-D216 VanDerWaalsContact C-N 3.29Å; D214-D216 PolarHBondContact O-N 2.73Å |
| 217 | Q | 55.6 | Low | 48.8 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | trans | -131.3 | 28.8 | 167.2 | -73.1 | -162.4 | 51.6 | 0 | 0 | 113.8 | D219 | Q217-D219 VanDerWaalsContact C-N 3.33Š| ||
| 218 | N | 47.5 | Very low | 48.9 | Very low | 131 Ų | 131 | 137 Ų | 137 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | trans | -97.3 | 30.7 | 167.4 | -77.4 | -55.8 | 0 | 0 | 0 | 113.2 | F220 | N218-F220 PolarHBondContact O-N 3.03Š| ||
| 219 | D | 47.8 | Very low | 49.3 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 82% | 0.824 | 67% | 0.674 | S | S | * | * | trans | -69.2 | 62.3 | 150.6 | -98.3 | -6.6 | 0 | 0 | 0 | 109.3 | Q217 V221 | Q217-D219 VanDerWaalsContact C-N 3.33Å; D219-V221 PolarHBondContact O-N 3.12Å | ||
| 220 | F | 45.2 | Very low | 49.8 | Very low | 175 Ų | 175 | 125.5 Ų | 125.5 | 77% | 0.768 | 64% | 0.639 | S | S | * | * | trans | -73.6 | 64.3 | 165.2 | -128.5 | -80.1 | 0 | 0 | 0 | 107.7 | N218 P222 | N218-F220 PolarHBondContact O-N 3.03Å; F220-P222 WeakPolarHBondContact O-CD 3.08Å | ||
| 221 | V | 47.1 | Very low | 50.3 | Low | 99 Ų | 99 | 122.8 Ų | 122.8 | 60% | 0.6 | 64% | 0.638 | S | S | * | * | trans | -50.1 | 112.5 | 162 | 177.5 | 0 | 0 | 0 | 0 | 105.2 | D219 M223 | D219-V221 PolarHBondContact O-N 3.12Å; V221-M223 PolarHBondContact O-N 2.8Å | ||
| 222 | P | 50.7 | Low | 51.1 | Low | 108 Ų | 108 | 126.1 Ų | 126.1 | 70% | 0.701 | 65% | 0.648 | S | S | * | * | trans | -58.6 | 114.4 | 174.9 | -18.3 | 31.4 | 0 | 0 | 0 | 104.8 | F220 D224 | F220-P222 WeakPolarHBondContact O-CD 3.08Å; P222-D224 WeakPolarHBondContact O-CA 3.35Å; P222-D224 PolarHBondContact O-N 3.29Å | ||
| 223 | M | 38.6 | Very low | 52.5 | Low | 182 Ų | 182 | 119.8 Ų | 119.8 | 90% | 0.897 | 62% | 0.621 | S | S | * | * | trans | -52.4 | 109.6 | -169.7 | -168.3 | -162 | -60 | 0 | 0 | 107.2 | V221 K225 | V221-M223 PolarHBondContact O-N 2.8Å; M223-K225 PolarHBondContact O-N 2.94Å | ||
| 224 | D | 50.6 | Low | 54 | Low | 99 Ų | 99 | 119.9 Ų | 119.9 | 53% | 0.529 | 63% | 0.625 | S | S | . | * | trans | -52.7 | 118.1 | -162.9 | -121.7 | -13.1 | 0 | 0 | 0 | 106.2 | P222 K227 | P222-D224 WeakPolarHBondContact O-CA 3.35Å; P222-D224 PolarHBondContact O-N 3.29Å; D224-K227 VanDerWaalsContact OD2-CE 3.31Å; D224-K227 WeakPolarHBondContact OD2-CE 3.16Å; D224-K227 IonicContact OD2-NZ 3.47Å; D224-K227 PolarHBondContact OD2-NZ 3.49Å | ||
| 225 | K | 51.7 | Low | 56.1 | Low | 111 Ų | 111 | 115.6 Ų | 115.6 | 48% | 0.483 | 60% | 0.6 | S | S | . | * | trans | -44 | 124.1 | 169.5 | -79.6 | -173.8 | 174.9 | -166 | 0 | 104.1 | M223 K227 D262 | M223-K225 PolarHBondContact O-N 2.94Å; K225-K227 PolarHBondContact O-N 2.88Å; K225-D262 IonicContact NZ-OD1 2.96Å; K225-D262 IonicContact NZ-OD2 2.61Å; K225-D262 PolarHBondContact NZ-OD2 3.15Å | ||
| 226 | P | 43 | Very low | 58 | Low | 89 Ų | 89 | 110.2 Ų | 110.2 | 58% | 0.578 | 57% | 0.57 | S | S | * | * | trans | -48 | 122.1 | -173.1 | 19.6 | -33.2 | 0 | 0 | 0 | 106.6 | Q228 | P226-Q228 HydrophobicContact CB-CG 4.25Å; P226-Q228 HydrophobicContact CG-CG 4.36Å; P226-Q228 WeakPolarHBondContact O-CG 3.29Å; P226-Q228 PolarHBondContact O-N 3.34Å | ||
| 227 | K | 45.1 | Very low | 59.8 | Low | 172 Ų | 172 | 103.1 Ų | 103.1 | 75% | 0.748 | 53% | 0.532 | S | S | * | . | trans | -67.7 | 68.3 | -173.1 | -80.2 | 172.1 | 168 | 143.4 | 0 | 109.1 | D224 K225 | D224-K227 VanDerWaalsContact OD2-CE 3.31Å; D224-K227 WeakPolarHBondContact OD2-CE 3.16Å; D224-K227 IonicContact OD2-NZ 3.47Å; D224-K227 PolarHBondContact OD2-NZ 3.49Å; K225-K227 PolarHBondContact O-N 2.88Å | ||
| 228 | Q | 51.6 | Low | 61.4 | Low | 64 Ų | 64 | 95.6 Ų | 95.6 | 30% | 0.299 | 50% | 0.5 | S | S | . | . | trans | -72 | 131 | 174.9 | -72.7 | 166.3 | 1.6 | 0 | 0 | 104.9 | P226 Y230 Y296 | P226-Q228 HydrophobicContact CB-CG 4.25Å; P226-Q228 HydrophobicContact CG-CG 4.36Å; P226-Q228 WeakPolarHBondContact O-CG 3.29Å; P226-Q228 PolarHBondContact O-N 3.34Å; Q228-Y230 HydrophobicContact CB-CD1 4.47Å; Q228-Y230 HydrophobicContact CB-CD2 3.77Å; Q228-Y230 HydrophobicContact CB-CE1 4.24Å; Q228-Y230 HydrophobicContact CB-CE2 3.54Å; Q228-Y230 HydrophobicContact CB-CG 4.22Å; Q228-Y230 HydrophobicContact CG-CE2 4.26Å; Q228-Y230 PolarHBondContact O-N 3.42Å; Q228-Y230 PolarHBondContact OE1-OH 2.66Å; Q228-Y296 VanDerWaalsContact CD-OH 3.29Å; Q228-Y296 PolarHBondContact NE2-OH 2.56Å; Q228-Y296 PolarHBondContact OE1-OH 2.83Å | ||
| 229 | T | 53.2 | Low | 63.3 | Low | 87 Ų | 87 | 97.6 Ų | 97.6 | 53% | 0.534 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -61.6 | -2.2 | -165.2 | 42.8 | 0 | 0 | 0 | 0 | 115 | C231 E232 | T229-C231 PolarHBondContact O-N 3.42Å; T229-E232 WeakPolarHBondContact O-CB 3.39Å; T229-E232 PolarHBondContact O-N 3.1Å |
| 230 | Y | 57.5 | Low | 65.3 | Low | 15 Ų | 15 | 91.1 Ų | 91.1 | 6% | 0.059 | 47% | 0.472 | C | S | . | . | G | 310 helix | trans | -41.9 | -25 | -179.3 | -53.4 | -28 | 0 | 0 | 0 | 115.9 | Q228 E232 E233 W235 Y236 L272 Y296 V311 | Q228-Y230 HydrophobicContact CB-CD1 4.47Å; Q228-Y230 HydrophobicContact CB-CD2 3.77Å; Q228-Y230 HydrophobicContact CB-CE1 4.24Å; Q228-Y230 HydrophobicContact CB-CE2 3.54Å; Q228-Y230 HydrophobicContact CB-CG 4.22Å; Q228-Y230 HydrophobicContact CG-CE2 4.26Å; Q228-Y230 PolarHBondContact O-N 3.42Å; Q228-Y230 PolarHBondContact OE1-OH 2.66Å; Y230-E232 PolarHBondContact O-N 2.74Å; Y230-E233 WeakPolarHBondContact CA-OE2 3.37Å; Y230-E233 PolarHBondContact N-OE2 3.14Å; Y230-E233 PolarHBondContact O-N 2.89Å; Y230-W235 HydrophobicContact CD1-CH2 4.41Å; Y230-Y236 WeakPolarHBondContact O-CB 3.46Å; Y230-Y236 WeakPolarHBondContact O-CD1 3.49Å; Y230-L272 HydrophobicContact CD2-CD1 4.1Å; Y230-L272 HydrophobicContact CE2-CD1 3.71Å; Y230-Y296 PolarHBondContact OH-OH 2.81Å; Y230-V311 HydrophobicContact CE1-CB 3.96Å; Y230-V311 HydrophobicContact CE1-CG2 4.27Å; Y230-V311 HydrophobicContact CE2-CG2 4.33Å |
| 231 | C | 56.6 | Low | 67.6 | Low | 118 Ų | 118 | 87.8 Ų | 87.8 | 80% | 0.797 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -61.5 | -16.6 | 171 | -63.2 | 0 | 0 | 0 | 0 | 114.4 | T229 | T229-C231 PolarHBondContact O-N 3.42Š|
| 232 | E | 65.9 | Low | 69.7 | Low | 161 Ų | 161 | 89.6 Ų | 89.6 | 75% | 0.752 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -95.5 | -16.2 | 176.9 | -63.6 | 179.6 | -175.8 | 0 | 0 | 112.7 | T229 Y230 | T229-E232 WeakPolarHBondContact O-CB 3.39Å; T229-E232 PolarHBondContact O-N 3.1Å; Y230-E232 PolarHBondContact O-N 2.74Å |
| 233 | E | 82.3 | Confident | 71.7 | Confident | 38 Ų | 38 | 88.7 Ų | 88.7 | 18% | 0.178 | 45% | 0.451 | C | S | . | . | trans | -87.1 | 116.6 | -179 | -74.8 | 104.7 | 122.5 | 0 | 0 | 112.7 | Y230 W235 Y236 | Y230-E233 WeakPolarHBondContact CA-OE2 3.37Å; Y230-E233 PolarHBondContact N-OE2 3.14Å; Y230-E233 PolarHBondContact O-N 2.89Å; E233-W235 HydrophobicContact CB-CD2 4.16Å; E233-W235 HydrophobicContact CB-CH2 4.21Å; E233-W235 HydrophobicContact CB-CZ2 3.63Å; E233-W235 HydrophobicContact CG-CH2 4.42Å; E233-W235 HydrophobicContact CG-CZ2 3.63Å; E233-W235 PolarHBondContact O-N 3.39Å; E233-Y236 PolarHBondContact O-N 3.27Å | ||
| 234 | D | 86.7 | Confident | 74.4 | Confident | 120 Ų | 120 | 82.7 Ų | 82.7 | 64% | 0.642 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.8 | -36.8 | -177.7 | -67 | -42.9 | 0 | 0 | 0 | 114.8 | Y236 T347 | D234-Y236 VanDerWaalsContact C-N 3.33Å; D234-Y236 PolarHBondContact O-N 3.4Å; D234-T347 HydrophobicContact CB-CG2 4.01Å; D234-T347 VanDerWaalsContact O-CA 3.23Å; D234-T347 WeakPolarHBondContact O-CA 3.36Å |
| 235 | W | 92.7 | Very high | 76.4 | Confident | 22 Ų | 22 | 78 Ų | 78 | 8% | 0.083 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -5.6 | -177.3 | 49.6 | -100.6 | 0 | 0 | 0 | 114.8 | Y230 E233 Y258 V260 V311 A312 I315 P345 | Y230-W235 HydrophobicContact CD1-CH2 4.41Å; E233-W235 HydrophobicContact CB-CD2 4.16Å; E233-W235 HydrophobicContact CB-CH2 4.21Å; E233-W235 HydrophobicContact CB-CZ2 3.63Å; E233-W235 HydrophobicContact CG-CH2 4.42Å; E233-W235 HydrophobicContact CG-CZ2 3.63Å; E233-W235 PolarHBondContact O-N 3.39Å; W235-Y258 HydrophobicContact CB-CD2 4.34Å; W235-Y258 HydrophobicContact CB-CE2 3.72Å; W235-Y258 AromaticContact CG-CE2 3.95Å; W235-Y258 HydrophobicContact CG-CE2 3.95Å; W235-V260 HydrophobicContact CD2-CG2 4.47Å; W235-V260 HydrophobicContact CE3-CB 3.58Å; W235-V260 HydrophobicContact CE3-CG2 3.38Å; W235-V260 HydrophobicContact CZ3-CB 3.61Å; W235-V260 HydrophobicContact CZ3-CG1 4.16Å; W235-V260 HydrophobicContact CZ3-CG2 3.5Å; W235-V260 VanDerWaalsContact CZ3-CG2 3.5Å; W235-V260 PolarHBondContact O-N 3.31Å; W235-V311 HydrophobicContact CH2-CB 4.09Å; W235-V311 HydrophobicContact CH2-CG1 3.6Å; W235-V311 HydrophobicContact CZ3-CG1 3.8Å; W235-A312 HydrophobicContact CZ2-CB 4.09Å; W235-I315 HydrophobicContact CD2-CG1 4.13Å; W235-I315 HydrophobicContact CE3-CG1 4.37Å; W235-I315 HydrophobicContact CH2-CG1 4.33Å; W235-I315 HydrophobicContact CZ2-CG1 4.03Å; W235-I315 HydrophobicContact CZ3-CG1 4.47Å; W235-P345 HydrophobicContact CB-CB 3.88Å |
| 236 | Y | 94.1 | Very high | 78.5 | Confident | 43 Ų | 43 | 74.7 Ų | 74.7 | 17% | 0.169 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 113.8 | 179 | 178.1 | -115.1 | 0 | 0 | 0 | 111.5 | Y230 E233 D234 V260 D262 L272 | Y230-Y236 WeakPolarHBondContact O-CB 3.46Å; Y230-Y236 WeakPolarHBondContact O-CD1 3.49Å; E233-Y236 PolarHBondContact O-N 3.27Å; D234-Y236 VanDerWaalsContact C-N 3.33Å; D234-Y236 PolarHBondContact O-N 3.4Å; Y236-V260 HydrophobicContact CD2-CB 4.39Å; Y236-V260 HydrophobicContact CD2-CG1 4.23Å; Y236-D262 PolarHBondContact OH-OD1 2.7Å; Y236-D262 VanDerWaalsContact OH-OD1 3.06Å; Y236-L272 HydrophobicContact CD2-CD2 4.49Å; Y236-L272 HydrophobicContact CE2-CD2 3.68Å |
| 237 | V | 91.7 | Very high | 80.9 | Confident | 10 Ų | 10 | 75.1 Ų | 75.1 | 6% | 0.061 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -20.8 | -177.1 | -172.5 | 0 | 0 | 0 | 0 | 111.6 | C240 L259 V260 K348 V351 | V237-C240 HydrophobicContact CB-CB 4.29Å; V237-C240 HydrophobicContact CG1-CB 3.71Å; V237-L259 HydrophobicContact CG2-CB 3.97Å; V237-L259 HydrophobicContact CG2-CD1 4.12Å; V237-L259 HydrophobicContact CG2-CD2 4.37Å; V237-L259 HydrophobicContact CG2-CG 4.38Å; V237-V260 PolarHBondContact N-O 2.85Å; V237-K348 HydrophobicContact CG1-CB 4.38Å; V237-K348 HydrophobicContact CG1-CG 4.19Å; V237-V351 HydrophobicContact CG1-CB 4.41Å; V237-V351 HydrophobicContact CG1-CG1 4.46Å; V237-V351 HydrophobicContact CG1-CG2 4.28Å; V237-V351 HydrophobicContact CG2-CG2 4.05Å |
| 238 | G | 89.5 | Confident | 83.3 | Confident | 9 Ų | 9 | 67 Ų | 67 | 9% | 0.093 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.5 | -134.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | C240 R261 D262 | G238-C240 PolarHBondContact O-N 2.88Å; G238-R261 WeakPolarHBondContact O-CA 3.49Å; G238-D262 PolarHBondContact O-N 2.82Å |
| 239 | Q | 88.5 | Confident | 85.4 | Confident | 173 Ų | 173 | 63.9 Ų | 63.9 | 81% | 0.808 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -69.9 | 93.6 | 176.6 | -65.8 | -178.9 | 15.5 | 0 | 0 | 110.2 | ||
| 240 | C | 89.9 | Confident | 87.4 | Confident | 19 Ų | 19 | 64.1 Ų | 64.1 | 13% | 0.128 | 32% | 0.322 | C | S | . | . | trans | -128.9 | 134.1 | 176.4 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | V237 G238 R261 | V237-C240 HydrophobicContact CB-CB 4.29Å; V237-C240 HydrophobicContact CG1-CB 3.71Å; G238-C240 PolarHBondContact O-N 2.88Å; C240-R261 HydrophobicContact CB-CB 4.14Å | ||
| 241 | N | 91.7 | Very high | 89.2 | Confident | 105 Ų | 105 | 67.4 Ų | 67.4 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | trans | -63.4 | 151.3 | 177.6 | -62.7 | -46.1 | 0 | 0 | 0 | 110.4 | T243 D244 A245 | N241-T243 VanDerWaalsContact C-N 3.34Å; N241-T243 PolarHBondContact O-N 3.47Å; N241-D244 HydrophobicContact CB-CB 4.14Å; N241-D244 WeakPolarHBondContact CB-OD2 3.34Å; N241-D244 PolarHBondContact ND2-OD2 2.96Å; N241-D244 PolarHBondContact O-N 3.27Å; N241-A245 WeakPolarHBondContact O-CB 3.33Å; N241-A245 PolarHBondContact O-N 3.28Å; N241-A245 VanDerWaalsContact O-N 3.11Å | ||
| 242 | R | 92.4 | Very high | 90.9 | Very high | 136 Ų | 136 | 63.5 Ų | 63.5 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 177.2 | 177.1 | 174.3 | 175.5 | -165.9 | -9.7 | 112.2 | D244 E246 | R242-D244 VanDerWaalsContact C-N 3.3Å; R242-D244 PolarHBondContact O-N 3.28Å; R242-E246 HydrophobicContact CG-CG 4.47Å; R242-E246 IonicContact CZ-OE1 2.94Å; R242-E246 VanDerWaalsContact CZ-OE1 3.28Å; R242-E246 IonicContact NE-OE1 2.7Å; R242-E246 PolarHBondContact NE-OE1 3.05Å; R242-E246 IonicContact NE-OE2 2.98Å; R242-E246 IonicContact NH2-OE1 3.72Å; R242-E246 PolarHBondContact NH2-OE1 2.88Å; R242-E246 WeakPolarHBondContact O-CB 3.43Å; R242-E246 VanDerWaalsContact O-CG 3.27Å; R242-E246 WeakPolarHBondContact O-CG 3.44Å; R242-E246 PolarHBondContact O-N 3.43Å |
| 243 | T | 93.3 | Very high | 92.2 | Very high | 90 Ų | 90 | 60.7 Ų | 60.7 | 55% | 0.552 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -58.4 | -43.6 | 178.9 | 41.5 | 0 | 0 | 0 | 0 | 111.8 | N241 E246 H247 | N241-T243 VanDerWaalsContact C-N 3.34Å; N241-T243 PolarHBondContact O-N 3.47Å; T243-E246 PolarHBondContact O-N 3.38Å; T243-H247 VanDerWaalsContact O-CB 3.29Å; T243-H247 WeakPolarHBondContact O-CB 3.5Å; T243-H247 PolarHBondContact O-N 2.9Å |
| 244 | D | 93.6 | Very high | 92.8 | Very high | 55 Ų | 55 | 64.7 Ų | 64.7 | 29% | 0.294 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -75.3 | -41 | -169.8 | -55.1 | 3.5 | 0 | 0 | 0 | 109.6 | N241 R242 H247 A248 L355 | N241-D244 HydrophobicContact CB-CB 4.14Å; N241-D244 WeakPolarHBondContact CB-OD2 3.34Å; N241-D244 PolarHBondContact ND2-OD2 2.96Å; N241-D244 PolarHBondContact O-N 3.27Å; R242-D244 VanDerWaalsContact C-N 3.3Å; R242-D244 PolarHBondContact O-N 3.28Å; D244-H247 PolarHBondContact O-N 2.83Å; D244-A248 WeakPolarHBondContact O-CB 3.49Å; D244-A248 PolarHBondContact O-N 2.91Å; D244-L355 HydrophobicContact CB-CD1 3.77Å |
| 245 | A | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113 | N241 H247 L249 L259 | N241-A245 WeakPolarHBondContact O-CB 3.33Å; N241-A245 PolarHBondContact O-N 3.28Å; N241-A245 VanDerWaalsContact O-N 3.11Å; A245-H247 VanDerWaalsContact C-N 3.34Å; A245-L249 WeakPolarHBondContact O-CB 3.27Å; A245-L249 PolarHBondContact O-N 2.84Å; A245-L249 VanDerWaalsContact O-N 3.13Å; A245-L259 HydrophobicContact CB-CD1 4.02Å; A245-L259 HydrophobicContact CB-CD2 4.22Å |
| 246 | E | 94.4 | Very high | 93.2 | Very high | 42 Ų | 42 | 61.9 Ų | 61.9 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 175.8 | -76 | 174 | 178 | 0 | 0 | 110.9 | R242 T243 H250 V282 N284 | R242-E246 HydrophobicContact CG-CG 4.47Å; R242-E246 IonicContact CZ-OE1 2.94Å; R242-E246 VanDerWaalsContact CZ-OE1 3.28Å; R242-E246 IonicContact NE-OE1 2.7Å; R242-E246 PolarHBondContact NE-OE1 3.05Å; R242-E246 IonicContact NE-OE2 2.98Å; R242-E246 IonicContact NH2-OE1 3.72Å; R242-E246 PolarHBondContact NH2-OE1 2.88Å; R242-E246 WeakPolarHBondContact O-CB 3.43Å; R242-E246 VanDerWaalsContact O-CG 3.27Å; R242-E246 WeakPolarHBondContact O-CG 3.44Å; R242-E246 PolarHBondContact O-N 3.43Å; T243-E246 PolarHBondContact O-N 3.38Å; E246-H250 WeakPolarHBondContact O-CB 3.38Å; E246-H250 PolarHBondContact O-CD2 2.89Å; E246-H250 PolarHBondContact O-N 2.65Å; E246-V282 HydrophobicContact CB-CG1 4.45Å; E246-V282 HydrophobicContact CG-CB 4.19Å; E246-V282 HydrophobicContact CG-CG1 3.77Å; E246-N284 PolarHBondContact OE1-ND2 2.82Å |
| 247 | H | 94.9 | Very high | 93.3 | Very high | 99 Ų | 99 | 59.8 Ų | 59.8 | 46% | 0.458 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.8 | -47.9 | 178.6 | -173.4 | -145.3 | 0 | 0 | 0 | 112.3 | T243 D244 A245 L249 H250 L251 L355 | T243-H247 VanDerWaalsContact O-CB 3.29Å; T243-H247 WeakPolarHBondContact O-CB 3.5Å; T243-H247 PolarHBondContact O-N 2.9Å; D244-H247 PolarHBondContact O-N 2.83Å; A245-H247 VanDerWaalsContact C-N 3.34Å; H247-L249 VanDerWaalsContact C-N 3.32Å; H247-L249 PolarHBondContact O-N 2.86Å; H247-H250 CarbonylContact O-C 3.58Å; H247-H250 WeakPolarHBondContact O-CA 3.45Å; H247-H250 WeakPolarHBondContact O-CB 3.48Å; H247-H250 PolarHBondContact O-N 3.01Å; H247-H250 VanDerWaalsContact O-N 3.08Å; H247-L251 WeakPolarHBondContact O-CG 3.45Å; H247-L251 PolarHBondContact O-N 2.61Å; H247-L355 HydrophobicContact CB-CD2 4.14Å; H247-L355 WeakPolarHBondContact ND1-CD2 3.4Å |
| 248 | A | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D244 L251 V252 V351 L354 | D244-A248 WeakPolarHBondContact O-CB 3.49Å; D244-A248 PolarHBondContact O-N 2.91Å; A248-L251 PolarHBondContact O-N 2.96Å; A248-V252 WeakPolarHBondContact O-CG2 3.4Å; A248-V252 PolarHBondContact O-N 2.8Å; A248-V351 HydrophobicContact CB-CB 4.5Å; A248-V351 HydrophobicContact CB-CG1 4.23Å; A248-V351 HydrophobicContact CB-CG2 4.22Å; A248-L354 HydrophobicContact CB-CB 4.49Å; A248-L354 HydrophobicContact CB-CD1 4.25Å |
| 249 | L | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 173.7 | -83.1 | 162.8 | 0 | 0 | 0 | 112.6 | A245 H247 L251 V252 N253 A257 L259 V275 F277 V282 I346 | A245-L249 WeakPolarHBondContact O-CB 3.27Å; A245-L249 PolarHBondContact O-N 2.84Å; A245-L249 VanDerWaalsContact O-N 3.13Å; H247-L249 VanDerWaalsContact C-N 3.32Å; H247-L249 PolarHBondContact O-N 2.86Å; L249-L251 VanDerWaalsContact C-N 3.34Å; L249-L251 PolarHBondContact O-N 3.13Å; L249-V252 PolarHBondContact O-N 2.94Å; L249-N253 PolarHBondContact O-N 2.93Å; L249-A257 HydrophobicContact CD2-CB 3.84Å; L249-A257 WeakPolarHBondContact CD2-O 3.23Å; L249-L259 HydrophobicContact CD1-CD2 4.2Å; L249-L259 HydrophobicContact CD1-CG 4.35Å; L249-L259 HydrophobicContact CG-CD2 4.22Å; L249-V275 HydrophobicContact CD1-CB 3.8Å; L249-V275 HydrophobicContact CD1-CG1 3.35Å; L249-F277 HydrophobicContact CB-CB 4.22Å; L249-F277 HydrophobicContact CB-CD2 4.45Å; L249-F277 HydrophobicContact CD2-CB 3.82Å; L249-V282 HydrophobicContact CB-CG2 3.99Å; L249-V282 HydrophobicContact CD1-CG1 3.95Å; L249-I346 HydrophobicContact CD2-CD1 3.4Å; L249-I346 HydrophobicContact CD2-CG1 4.43Å; L249-I346 HydrophobicContact CG-CD1 3.91Å |
| 250 | H | 95.1 | Very high | 94.1 | Very high | 91 Ų | 91 | 51.4 Ų | 51.4 | 42% | 0.421 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.8 | -33.5 | 174.3 | -87.4 | -65.7 | 0 | 0 | 0 | 113.3 | E246 H247 F277 K280 | E246-H250 WeakPolarHBondContact O-CB 3.38Å; E246-H250 PolarHBondContact O-CD2 2.89Å; E246-H250 PolarHBondContact O-N 2.65Å; H247-H250 CarbonylContact O-C 3.58Å; H247-H250 WeakPolarHBondContact O-CA 3.45Å; H247-H250 WeakPolarHBondContact O-CB 3.48Å; H247-H250 PolarHBondContact O-N 3.01Å; H247-H250 VanDerWaalsContact O-N 3.08Å; H250-F277 AromaticContact ND1-CE2 3.64Å; H250-K280 PolarHBondContact CE1-O 2.81Å |
| 251 | L | 94.6 | Very high | 94.3 | Very high | 84 Ų | 84 | 50.9 Ų | 50.9 | 44% | 0.44 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72.2 | -38.2 | 175.5 | -69.4 | 170 | 0 | 0 | 0 | 112.2 | H247 A248 L249 L354 | H247-L251 WeakPolarHBondContact O-CG 3.45Å; H247-L251 PolarHBondContact O-N 2.61Å; A248-L251 PolarHBondContact O-N 2.96Å; L249-L251 VanDerWaalsContact C-N 3.34Å; L249-L251 PolarHBondContact O-N 3.13Å; L251-L354 HydrophobicContact CB-CD2 4.19Å; L251-L354 HydrophobicContact CD1-CB 4.13Å; L251-L354 WeakPolarHBondContact CD1-O 3.47Å |
| 252 | V | 93.7 | Very high | 94.3 | Very high | 36 Ų | 36 | 46.3 Ų | 46.3 | 22% | 0.218 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.5 | -39.6 | 173.5 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | A248 L249 K254 A257 I346 L354 | A248-V252 WeakPolarHBondContact O-CG2 3.4Å; A248-V252 PolarHBondContact O-N 2.8Å; L249-V252 PolarHBondContact O-N 2.94Å; V252-K254 HydrophobicContact CG1-CB 3.89Å; V252-K254 HydrophobicContact CG1-CD 3.72Å; V252-K254 HydrophobicContact CG1-CG 3.76Å; V252-K254 PolarHBondContact O-N 3.13Å; V252-K254 VanDerWaalsContact O-N 3.12Å; V252-A257 HydrophobicContact CG1-CB 4.26Å; V252-I346 HydrophobicContact CB-CD1 4.09Å; V252-I346 HydrophobicContact CG1-CD1 4.36Å; V252-I346 HydrophobicContact CG2-CD1 3.72Å; V252-I346 HydrophobicContact CG2-CG1 4.43Å; V252-L354 HydrophobicContact CG2-CD1 3.46Å; V252-L354 VanDerWaalsContact CG2-CD1 3.46Å; V252-L354 HydrophobicContact CG2-CD2 4.44Å |
| 253 | N | 93.3 | Very high | 94 | Very high | 103 Ų | 103 | 40.3 Ų | 40.3 | 55% | 0.551 | 21% | 0.205 | S | C | * | . | trans | 51.8 | 35.3 | 175 | -172.4 | 51.7 | 0 | 0 | 0 | 114.1 | L249 F277 | L249-N253 PolarHBondContact O-N 2.93Å; N253-F277 HydrophobicContact CB-CZ 4.4Å; N253-F277 WeakPolarHBondContact OD1-CZ 3.43Å | ||
| 254 | K | 94.3 | Very high | 93.2 | Very high | 122 Ų | 122 | 40.4 Ų | 40.4 | 53% | 0.53 | 21% | 0.21 | S | C | . | . | trans | -109 | 129.5 | 176.1 | -67.1 | 174.3 | -171.4 | 171 | 0 | 110.1 | V252 A257 F277 | V252-K254 HydrophobicContact CG1-CB 3.89Å; V252-K254 HydrophobicContact CG1-CD 3.72Å; V252-K254 HydrophobicContact CG1-CG 3.76Å; V252-K254 PolarHBondContact O-N 3.13Å; V252-K254 VanDerWaalsContact O-N 3.12Å; K254-A257 HydrophobicContact CB-CB 4.24Å; K254-A257 WeakPolarHBondContact O-CB 3.44Å; K254-A257 PolarHBondContact O-N 2.82Å; K254-A257 VanDerWaalsContact O-N 3.13Å; K254-F277 WeakPolarHBondContact O-CD1 3.34Å | ||
| 255 | D | 94.1 | Very high | 92.2 | Very high | 82 Ų | 82 | 43.5 Ų | 43.5 | 44% | 0.439 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 133.2 | 177.6 | -156.7 | 81.7 | 0 | 0 | 0 | 111.4 | A257 H278 E279 T343 | D255-A257 VanDerWaalsContact C-N 3.28Å; D255-H278 VanDerWaalsContact CG-ND1 3.27Å; D255-H278 VanDerWaalsContact OD1-CA 3.29Å; D255-H278 WeakPolarHBondContact OD1-CA 3.16Å; D255-H278 IonicContact OD1-CE1 2.83Å; D255-H278 IonicContact OD1-CG 2.81Å; D255-H278 IonicContact OD1-ND1 2.66Å; D255-H278 PolarHBondContact OD1-ND1 2.85Å; D255-H278 IonicContact OD2-CE1 2.73Å; D255-H278 PolarHBondContact OD2-CE1 3.01Å; D255-H278 IonicContact OD2-ND1 3.89Å; D255-H278 PolarHBondContact OD2-ND1 3.09Å; D255-E279 PolarHBondContact OD1-N 3.12Å; D255-T343 PolarHBondContact O-OG1 3.18Å; D255-T343 VanDerWaalsContact O-OG1 3.13Å |
| 256 | G | 93.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 11.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y258 F277 C340 V341 T343 C344 | G256-Y258 WeakPolarHBondContact O-CD1 3.49Å; G256-F277 PolarHBondContact N-O 2.79Å; G256-C340 VanDerWaalsContact CA-SG 3.58Å; G256-V341 WeakPolarHBondContact CA-O 3.17Å; G256-T343 WeakPolarHBondContact CA-OG1 3.27Å; G256-T343 PolarHBondContact O-N 3.5Å; G256-T343 PolarHBondContact O-OG1 3.47Å; G256-C344 PolarHBondContact O-N 3.48Å; G256-C344 VanDerWaalsContact O-N 3.09Å |
| 257 | A | 96 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 137.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L249 V252 K254 D255 V276 F277 C344 I346 | L249-A257 HydrophobicContact CD2-CB 3.84Å; L249-A257 WeakPolarHBondContact CD2-O 3.23Å; V252-A257 HydrophobicContact CG1-CB 4.26Å; K254-A257 HydrophobicContact CB-CB 4.24Å; K254-A257 WeakPolarHBondContact O-CB 3.44Å; K254-A257 PolarHBondContact O-N 2.82Å; K254-A257 VanDerWaalsContact O-N 3.13Å; D255-A257 VanDerWaalsContact C-N 3.28Å; A257-V276 CarbonylContact O-C 3.6Å; A257-V276 WeakPolarHBondContact O-CA 3.24Å; A257-F277 HydrophobicContact CB-CB 4.35Å; A257-F277 PolarHBondContact O-N 2.98Å; A257-C344 CarbonylContact C-O 3.59Å; A257-C344 VanDerWaalsContact CA-O 3.24Å; A257-C344 WeakPolarHBondContact CA-O 3.48Å; A257-C344 HydrophobicContact CB-CB 4.18Å; A257-I346 HydrophobicContact CB-CD1 4.19Å; A257-I346 HydrophobicContact CB-CG1 4.43Å |
| 258 | Y | 96.1 | Very high | 88.5 | Confident | 16 Ų | 16 | 51.7 Ų | 51.7 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 158.5 | -175 | 71.3 | -84.4 | 0 | 0 | 0 | 113.6 | W235 G256 L274 V275 I315 L342 C344 P345 I346 | W235-Y258 HydrophobicContact CB-CD2 4.34Å; W235-Y258 HydrophobicContact CB-CE2 3.72Å; W235-Y258 AromaticContact CG-CE2 3.95Å; W235-Y258 HydrophobicContact CG-CE2 3.95Å; G256-Y258 WeakPolarHBondContact O-CD1 3.49Å; Y258-L274 HydrophobicContact CD2-CD1 4.03Å; Y258-L274 HydrophobicContact CG-CD1 4.46Å; Y258-V275 CarbonylContact C-O 3.57Å; Y258-V275 WeakPolarHBondContact CA-O 3.19Å; Y258-V275 WeakPolarHBondContact CB-O 3.39Å; Y258-I315 HydrophobicContact CD2-CD1 4.18Å; Y258-I315 HydrophobicContact CE2-CD1 4.04Å; Y258-I315 HydrophobicContact CE2-CG1 4.47Å; Y258-I315 HydrophobicContact CE2-CG2 3.55Å; Y258-I315 VanDerWaalsContact OH-CG2 3.29Å; Y258-I315 WeakPolarHBondContact OH-CG2 3.29Å; Y258-L342 HydrophobicContact CD1-CB 3.71Å; Y258-L342 HydrophobicContact CD1-CD2 4.11Å; Y258-L342 HydrophobicContact CD1-CG 4.39Å; Y258-L342 HydrophobicContact CE1-CB 3.7Å; Y258-L342 HydrophobicContact CG-CB 4.28Å; Y258-L342 HydrophobicContact CG-CD2 3.98Å; Y258-C344 WeakPolarHBondContact CD1-O 3.2Å; Y258-C344 VanDerWaalsContact CE1-C 3.5Å; Y258-C344 PolarHBondContact N-O 3.44Å; Y258-P345 HydrophobicContact CE1-CB 4.2Å; Y258-P345 HydrophobicContact CE2-CB 4.26Å; Y258-I346 PolarHBondContact O-N 3.26Å |
| 259 | L | 95.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 159.7 | 169.2 | 64.1 | 87.4 | 0 | 0 | 0 | 110.2 | V237 A245 L249 R261 V275 I346 V351 | V237-L259 HydrophobicContact CG2-CB 3.97Å; V237-L259 HydrophobicContact CG2-CD1 4.12Å; V237-L259 HydrophobicContact CG2-CD2 4.37Å; V237-L259 HydrophobicContact CG2-CG 4.38Å; A245-L259 HydrophobicContact CB-CD1 4.02Å; A245-L259 HydrophobicContact CB-CD2 4.22Å; L249-L259 HydrophobicContact CD1-CD2 4.2Å; L249-L259 HydrophobicContact CD1-CG 4.35Å; L249-L259 HydrophobicContact CG-CD2 4.22Å; L259-R261 HydrophobicContact CD1-CB 4.13Å; L259-R261 HydrophobicContact CD1-CG 4.28Å; L259-V275 HydrophobicContact CD1-CB 4.13Å; L259-V275 HydrophobicContact CD1-CG2 3.94Å; L259-V275 HydrophobicContact CG-CB 4.27Å; L259-V275 PolarHBondContact N-O 3.33Å; L259-V275 PolarHBondContact O-N 3.41Å; L259-I346 HydrophobicContact CB-CB 4.42Å; L259-I346 HydrophobicContact CD2-CB 4.49Å; L259-V351 HydrophobicContact CD2-CG2 4.02Å |
| 260 | V | 95.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 136.6 | 169.2 | -178 | 0 | 0 | 0 | 0 | 109.8 | W235 Y236 V237 L272 V273 L274 I287 V311 I315 | W235-V260 HydrophobicContact CD2-CG2 4.47Å; W235-V260 HydrophobicContact CE3-CB 3.58Å; W235-V260 HydrophobicContact CE3-CG2 3.38Å; W235-V260 HydrophobicContact CZ3-CB 3.61Å; W235-V260 HydrophobicContact CZ3-CG1 4.16Å; W235-V260 HydrophobicContact CZ3-CG2 3.5Å; W235-V260 VanDerWaalsContact CZ3-CG2 3.5Å; W235-V260 PolarHBondContact O-N 3.31Å; Y236-V260 HydrophobicContact CD2-CB 4.39Å; Y236-V260 HydrophobicContact CD2-CG1 4.23Å; V237-V260 PolarHBondContact N-O 2.85Å; V260-L272 HydrophobicContact CG1-CB 4.11Å; V260-L272 HydrophobicContact CG1-CD1 4.43Å; V260-L272 HydrophobicContact CG1-CD2 4.26Å; V260-V273 WeakPolarHBondContact CA-O 3.46Å; V260-L274 HydrophobicContact CG2-CB 4.37Å; V260-L274 HydrophobicContact CG2-CD1 3.93Å; V260-I287 HydrophobicContact CG1-CD1 3.93Å; V260-I287 HydrophobicContact CG2-CD1 4.38Å; V260-V311 HydrophobicContact CG2-CG1 4.36Å; V260-I315 HydrophobicContact CG2-CD1 4.09Å |
| 261 | R | 94.3 | Very high | 85.7 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 162.4 | 178.5 | 63.6 | -179 | -174.6 | 78 | 5 | 111.2 | G238 C240 L259 L272 V273 V275 N284 | G238-R261 WeakPolarHBondContact O-CA 3.49Å; C240-R261 HydrophobicContact CB-CB 4.14Å; L259-R261 HydrophobicContact CD1-CB 4.13Å; L259-R261 HydrophobicContact CD1-CG 4.28Å; R261-L272 WeakPolarHBondContact O-CA 3.33Å; R261-V273 HydrophobicContact CG-CB 4.27Å; R261-V273 PolarHBondContact N-O 2.85Å; R261-V273 PolarHBondContact O-N 2.84Å; R261-V275 HydrophobicContact CG-CG2 4Å; R261-N284 PolarHBondContact NH2-OD1 3.27Å |
| 262 | D | 91.1 | Very high | 85.6 | Confident | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.053 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 145.4 | 169.2 | -82.9 | 7.2 | 0 | 0 | 0 | 111.1 | K225 Y236 G238 | K225-D262 IonicContact NZ-OD1 2.96Å; K225-D262 IonicContact NZ-OD2 2.61Å; K225-D262 PolarHBondContact NZ-OD2 3.15Å; Y236-D262 PolarHBondContact OH-OD1 2.7Å; Y236-D262 VanDerWaalsContact OH-OD1 3.06Å; G238-D262 PolarHBondContact O-N 2.82Å |
| 263 | C | 86.6 | Confident | 85.6 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 6% | 0.061 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 135.8 | 166.4 | -89.2 | 0 | 0 | 0 | 0 | 110.4 | N265 N266 E270 P271 V273 | C263-N265 PolarHBondContact O-N 3.07Å; C263-N266 VanDerWaalsContact O-CG 3.29Å; C263-N266 PolarHBondContact O-N 3.46Å; C263-N266 PolarHBondContact O-ND2 2.91Å; C263-N266 PolarHBondContact O-OD1 3.06Å; C263-E270 VanDerWaalsContact CB-O 3.29Å; C263-E270 WeakPolarHBondContact CB-O 3.38Å; C263-E270 PolarHBondContact SG-O 2.84Å; C263-P271 PolarHBondContact N-O 3.07Å; C263-V273 HydrophobicContact CB-CG2 4.43Å; C263-V273 WeakPolarHBondContact SG-CG2 3.46Å |
| 264 | S | 77.4 | Confident | 85.6 | Confident | 93 Ų | 93 | 43.8 Ų | 43.8 | 65% | 0.65 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -59.8 | -34.4 | 171 | 55 | 0 | 0 | 0 | 0 | 111.5 | ||
| 265 | N | 72.1 | Confident | 85.7 | Confident | 119 Ų | 119 | 38 Ų | 38 | 64% | 0.636 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 74.7 | 176.8 | -56.7 | 35.4 | 0 | 0 | 0 | 106.5 | C263 T267 | C263-N265 PolarHBondContact O-N 3.07Å; N265-T267 PolarHBondContact O-N 2.9Å |
| 266 | N | 65.5 | Low | 85.7 | Confident | 91 Ų | 91 | 34.1 Ų | 34.1 | 49% | 0.487 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 98.7 | -179.1 | -81.9 | -58.6 | 0 | 0 | 0 | 110.5 | C263 | C263-N266 VanDerWaalsContact O-CG 3.29Å; C263-N266 PolarHBondContact O-N 3.46Å; C263-N266 PolarHBondContact O-ND2 2.91Å; C263-N266 PolarHBondContact O-OD1 3.06Å |
| 267 | T | 71 | Confident | 85.8 | Confident | 59 Ų | 59 | 34.3 Ų | 34.3 | 36% | 0.362 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 145.2 | 174.9 | 59.4 | 0 | 0 | 0 | 0 | 109.2 | N265 S269 E270 | N265-T267 PolarHBondContact O-N 2.9Å; T267-S269 PolarHBondContact O-N 2.97Å; T267-S269 PolarHBondContact OG1-OG 3.44Å; T267-E270 CarbonylContact O-C 3.59Å; T267-E270 PolarHBondContact O-N 3.37Å; T267-E270 PolarHBondContact OG1-N 3.04Å |
| 268 | N | 68.8 | Low | 85.7 | Confident | 163 Ų | 163 | 35.1 Ų | 35.1 | 87% | 0.872 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -20 | -179.4 | -77.6 | -43.6 | 0 | 0 | 0 | 113.9 | ||
| 269 | S | 68.8 | Low | 85.4 | Confident | 65 Ų | 65 | 39.5 Ų | 39.5 | 46% | 0.455 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -25.7 | 176.8 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | T267 R288 F289 | T267-S269 PolarHBondContact O-N 2.97Å; T267-S269 PolarHBondContact OG1-OG 3.44Å; S269-R288 CarbonylContact O-C 3.53Å; S269-R288 WeakPolarHBondContact O-CA 3.37Å; S269-F289 PolarHBondContact O-N 3.03Å |
| 270 | E | 76.4 | Confident | 85.1 | Confident | 38 Ų | 38 | 47.4 Ų | 47.4 | 18% | 0.178 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 74.6 | -179.4 | -68 | 176.3 | 160.5 | 0 | 0 | 109.2 | C263 T267 K286 R288 | C263-E270 VanDerWaalsContact CB-O 3.29Å; C263-E270 WeakPolarHBondContact CB-O 3.38Å; C263-E270 PolarHBondContact SG-O 2.84Å; T267-E270 CarbonylContact O-C 3.59Å; T267-E270 PolarHBondContact O-N 3.37Å; T267-E270 PolarHBondContact OG1-N 3.04Å; E270-K286 HydrophobicContact CG-CD 4.24Å; E270-K286 WeakPolarHBondContact OE1-CD 3.29Å; E270-K286 IonicContact OE1-NZ 2.91Å; E270-K286 PolarHBondContact OE1-NZ 2.94Å; E270-K286 WeakPolarHBondContact OE2-CD 3.48Å; E270-K286 WeakPolarHBondContact OE2-CE 3.37Å; E270-K286 IonicContact OE2-NZ 3.28Å; E270-K286 PolarHBondContact OE2-NZ 2.82Å; E270-R288 HydrophobicContact CG-CG 3.73Å |
| 271 | P | 82.2 | Confident | 84.9 | Confident | 33 Ų | 33 | 51 Ų | 51 | 21% | 0.214 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -28.7 | -176.8 | 29.1 | -35.4 | 0 | 0 | 0 | 113.2 | C263 F289 | C263-P271 PolarHBondContact N-O 3.07Å; P271-F289 HydrophobicContact CG-CB 4.48Å |
| 272 | L | 91.4 | Very high | 84.9 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 155.2 | -164.6 | -64.6 | 170.8 | 0 | 0 | 0 | 112.8 | Y230 Y236 V260 R261 I287 V311 | Y230-L272 HydrophobicContact CD2-CD1 4.1Å; Y230-L272 HydrophobicContact CE2-CD1 3.71Å; Y236-L272 HydrophobicContact CD2-CD2 4.49Å; Y236-L272 HydrophobicContact CE2-CD2 3.68Å; V260-L272 HydrophobicContact CG1-CB 4.11Å; V260-L272 HydrophobicContact CG1-CD1 4.43Å; V260-L272 HydrophobicContact CG1-CD2 4.26Å; R261-L272 WeakPolarHBondContact O-CA 3.33Å; L272-I287 HydrophobicContact CB-CB 4.07Å; L272-I287 HydrophobicContact CB-CD1 3.93Å; L272-I287 PolarHBondContact O-N 3.01Å; L272-V311 HydrophobicContact CD1-CG2 3.85Å |
| 273 | V | 93.4 | Very high | 84.9 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 124.2 | 172.8 | -171.1 | 0 | 0 | 0 | 0 | 109.5 | V260 R261 C263 V275 N284 | V260-V273 WeakPolarHBondContact CA-O 3.46Å; R261-V273 HydrophobicContact CG-CB 4.27Å; R261-V273 PolarHBondContact N-O 2.85Å; R261-V273 PolarHBondContact O-N 2.84Å; C263-V273 HydrophobicContact CB-CG2 4.43Å; C263-V273 WeakPolarHBondContact SG-CG2 3.46Å; V273-V275 HydrophobicContact CG1-CG2 4.11Å; V273-N284 HydrophobicContact CG1-CB 4.01Å |
| 274 | L | 94.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 122.3 | 162.3 | 171.7 | 60.1 | 0 | 0 | 0 | 108.4 | Y258 V260 V276 V285 I287 L298 I315 I323 L342 | Y258-L274 HydrophobicContact CD2-CD1 4.03Å; Y258-L274 HydrophobicContact CG-CD1 4.46Å; V260-L274 HydrophobicContact CG2-CB 4.37Å; V260-L274 HydrophobicContact CG2-CD1 3.93Å; L274-V276 HydrophobicContact CD1-CG2 4.05Å; L274-V276 HydrophobicContact CD2-CG2 4.16Å; L274-V276 HydrophobicContact CG-CG2 3.76Å; L274-V285 HydrophobicContact CB-CB 4.45Å; L274-V285 PolarHBondContact N-O 2.79Å; L274-V285 PolarHBondContact O-N 2.9Å; L274-I287 HydrophobicContact CB-CD1 4.06Å; L274-I287 HydrophobicContact CB-CG1 4.26Å; L274-L298 HydrophobicContact CD2-CD2 4.32Å; L274-I315 HydrophobicContact CD1-CD1 3.8Å; L274-I315 HydrophobicContact CD2-CD1 4.26Å; L274-I323 HydrophobicContact CD2-CD1 3.82Å; L274-L342 HydrophobicContact CD2-CD1 4.12Å |
| 275 | V | 95.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126.2 | 177.7 | -161.8 | 0 | 0 | 0 | 0 | 108.1 | L249 Y258 L259 R261 V273 V282 Y283 | L249-V275 HydrophobicContact CD1-CB 3.8Å; L249-V275 HydrophobicContact CD1-CG1 3.35Å; Y258-V275 CarbonylContact C-O 3.57Å; Y258-V275 WeakPolarHBondContact CA-O 3.19Å; Y258-V275 WeakPolarHBondContact CB-O 3.39Å; L259-V275 HydrophobicContact CD1-CB 4.13Å; L259-V275 HydrophobicContact CD1-CG2 3.94Å; L259-V275 HydrophobicContact CG-CB 4.27Å; L259-V275 PolarHBondContact N-O 3.33Å; L259-V275 PolarHBondContact O-N 3.41Å; R261-V275 HydrophobicContact CG-CG2 4Å; V273-V275 HydrophobicContact CG1-CG2 4.11Å; V275-V282 HydrophobicContact CG1-CG1 3.29Å; V275-Y283 CarbonylContact C-O 3.59Å; V275-Y283 WeakPolarHBondContact CA-O 3.14Å |
| 276 | V | 95.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 133.3 | -174.3 | -170.5 | 0 | 0 | 0 | 0 | 110.4 | A257 L274 V282 Y283 L325 L342 | A257-V276 CarbonylContact O-C 3.6Å; A257-V276 WeakPolarHBondContact O-CA 3.24Å; L274-V276 HydrophobicContact CD1-CG2 4.05Å; L274-V276 HydrophobicContact CD2-CG2 4.16Å; L274-V276 HydrophobicContact CG-CG2 3.76Å; V276-V282 WeakPolarHBondContact O-CA 3.36Å; V276-Y283 PolarHBondContact N-O 3.39Å; V276-Y283 PolarHBondContact O-N 2.75Å; V276-L325 HydrophobicContact CG1-CD1 4.45Å; V276-L342 HydrophobicContact CG1-CD2 4.02Å; V276-L342 HydrophobicContact CG2-CD2 3.77Å |
| 277 | F | 94.9 | Very high | 88 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 123.2 | 170.1 | -176.4 | -84.7 | 0 | 0 | 0 | 110.5 | L249 H250 N253 K254 G256 A257 K280 K281 V282 | L249-F277 HydrophobicContact CB-CB 4.22Å; L249-F277 HydrophobicContact CB-CD2 4.45Å; L249-F277 HydrophobicContact CD2-CB 3.82Å; H250-F277 AromaticContact ND1-CE2 3.64Å; N253-F277 HydrophobicContact CB-CZ 4.4Å; N253-F277 WeakPolarHBondContact OD1-CZ 3.43Å; K254-F277 WeakPolarHBondContact O-CD1 3.34Å; G256-F277 PolarHBondContact N-O 2.79Å; A257-F277 HydrophobicContact CB-CB 4.35Å; A257-F277 PolarHBondContact O-N 2.98Å; F277-K280 HydrophobicContact CZ-CB 4.5Å; F277-K281 WeakPolarHBondContact CA-O 3.46Å; F277-V282 HydrophobicContact CD2-CG2 3.85Å |
| 278 | H | 94.3 | Very high | 88.9 | Confident | 18 Ų | 18 | 45.8 Ų | 45.8 | 8% | 0.083 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 140 | 177.5 | -175.4 | 56.8 | 0 | 0 | 0 | 110.6 | D255 K280 K281 Y283 L325 E338 C340 | D255-H278 VanDerWaalsContact CG-ND1 3.27Å; D255-H278 VanDerWaalsContact OD1-CA 3.29Å; D255-H278 WeakPolarHBondContact OD1-CA 3.16Å; D255-H278 IonicContact OD1-CE1 2.83Å; D255-H278 IonicContact OD1-CG 2.81Å; D255-H278 IonicContact OD1-ND1 2.66Å; D255-H278 PolarHBondContact OD1-ND1 2.85Å; D255-H278 IonicContact OD2-CE1 2.73Å; D255-H278 PolarHBondContact OD2-CE1 3.01Å; D255-H278 IonicContact OD2-ND1 3.89Å; D255-H278 PolarHBondContact OD2-ND1 3.09Å; H278-K280 PolarHBondContact O-N 3.2Å; H278-K280 VanDerWaalsContact O-N 3.14Å; H278-K281 PolarHBondContact N-O 3.34Å; H278-K281 WeakPolarHBondContact O-CB 3.29Å; H278-K281 PolarHBondContact O-N 2.89Å; H278-K281 VanDerWaalsContact O-O 3.05Å; H278-Y283 HydrophobicContact CB-CD2 4.28Å; H278-Y283 HydrophobicContact CB-CE2 4.23Å; H278-L325 HydrophobicContact CB-CD1 3.74Å; H278-E338 IonicContact CD2-OE2 2.7Å; H278-C340 HydrophobicContact CB-CB 4.07Å |
| 279 | E | 89.9 | Confident | 89.9 | Confident | 107 Ų | 107 | 41.1 Ų | 41.1 | 50% | 0.5 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 39.6 | -179.9 | -64.9 | -163.9 | 164.7 | 0 | 0 | 114.8 | D255 K281 | D255-E279 PolarHBondContact OD1-N 3.12Å; E279-K281 PolarHBondContact O-N 2.75Å; E279-K281 IonicContact OE2-NZ 3.9Å; E279-K281 PolarHBondContact OE2-NZ 3.12Å |
| 280 | K | 88.9 | Confident | 90.9 | Very high | 167 Ų | 167 | 40.3 Ų | 40.3 | 73% | 0.726 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 17.4 | -176.5 | -48.4 | 176 | -178.6 | 177.5 | 0 | 114.9 | H250 F277 H278 | H250-K280 PolarHBondContact CE1-O 2.81Å; F277-K280 HydrophobicContact CZ-CB 4.5Å; H278-K280 PolarHBondContact O-N 3.2Å; H278-K280 VanDerWaalsContact O-N 3.14Å |
| 281 | K | 91.7 | Very high | 91.3 | Very high | 74 Ų | 74 | 40.9 Ų | 40.9 | 32% | 0.322 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 153.1 | 176.5 | -54.4 | 158.8 | -153.2 | 143.6 | 0 | 109 | F277 H278 E279 Y283 E338 | F277-K281 WeakPolarHBondContact CA-O 3.46Å; H278-K281 PolarHBondContact N-O 3.34Å; H278-K281 WeakPolarHBondContact O-CB 3.29Å; H278-K281 PolarHBondContact O-N 2.89Å; H278-K281 VanDerWaalsContact O-O 3.05Å; E279-K281 PolarHBondContact O-N 2.75Å; E279-K281 IonicContact OE2-NZ 3.9Å; E279-K281 PolarHBondContact OE2-NZ 3.12Å; K281-Y283 HydrophobicContact CB-CD2 4.46Å; K281-Y283 HydrophobicContact CB-CE2 3.84Å; K281-Y283 HydrophobicContact CD-CE2 4.23Å; K281-Y283 VanDerWaalsContact CD-OH 3.27Å; K281-Y283 WeakPolarHBondContact CD-OH 3.15Å; K281-E338 IonicContact NZ-OE1 3.62Å; K281-E338 PolarHBondContact NZ-OE1 3.4Å; K281-E338 IonicContact NZ-OE2 3.73Å; K281-E338 PolarHBondContact NZ-OE2 2.88Å |
| 282 | V | 92.7 | Very high | 91.6 | Very high | 28 Ų | 28 | 44.5 Ų | 44.5 | 17% | 0.17 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.6 | 170.1 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | E246 L249 V275 V276 F277 | E246-V282 HydrophobicContact CB-CG1 4.45Å; E246-V282 HydrophobicContact CG-CB 4.19Å; E246-V282 HydrophobicContact CG-CG1 3.77Å; L249-V282 HydrophobicContact CB-CG2 3.99Å; L249-V282 HydrophobicContact CD1-CG1 3.95Å; V275-V282 HydrophobicContact CG1-CG1 3.29Å; V276-V282 WeakPolarHBondContact O-CA 3.36Å; F277-V282 HydrophobicContact CD2-CG2 3.85Å |
| 283 | Y | 92.1 | Very high | 91.5 | Very high | 13 Ų | 13 | 49 Ų | 49 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 127.5 | 179.7 | -71.1 | -82.1 | 0 | 0 | 0 | 110.3 | V275 V276 H278 K281 L325 E338 | V275-Y283 CarbonylContact C-O 3.59Å; V275-Y283 WeakPolarHBondContact CA-O 3.14Å; V276-Y283 PolarHBondContact N-O 3.39Å; V276-Y283 PolarHBondContact O-N 2.75Å; H278-Y283 HydrophobicContact CB-CD2 4.28Å; H278-Y283 HydrophobicContact CB-CE2 4.23Å; K281-Y283 HydrophobicContact CB-CD2 4.46Å; K281-Y283 HydrophobicContact CB-CE2 3.84Å; K281-Y283 HydrophobicContact CD-CE2 4.23Å; K281-Y283 VanDerWaalsContact CD-OH 3.27Å; K281-Y283 WeakPolarHBondContact CD-OH 3.15Å; Y283-L325 HydrophobicContact CD1-CB 3.95Å; Y283-L325 HydrophobicContact CD2-CB 4.24Å; Y283-L325 HydrophobicContact CD2-CD1 3.63Å; Y283-L325 HydrophobicContact CD2-CG 4.37Å; Y283-L325 HydrophobicContact CE1-CB 4.11Å; Y283-L325 HydrophobicContact CE2-CB 4.35Å; Y283-L325 HydrophobicContact CE2-CD1 4.03Å; Y283-L325 HydrophobicContact CG-CB 4.02Å; Y283-L325 HydrophobicContact CG-CD1 4.01Å; Y283-L325 HydrophobicContact CG-CD2 4.15Å; Y283-L325 HydrophobicContact CG-CG 4.28Å; Y283-E338 PolarHBondContact OH-OE1 3.5Å; Y283-E338 VanDerWaalsContact OH-OE1 3.1Å; Y283-E338 PolarHBondContact OH-OE2 3.31Å |
| 284 | N | 92.3 | Very high | 91.3 | Very high | 48 Ų | 48 | 58.3 Ų | 58.3 | 26% | 0.257 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 100.2 | 173.9 | -74.1 | -110.4 | 0 | 0 | 0 | 108.7 | E246 R261 V273 | E246-N284 PolarHBondContact OE1-ND2 2.82Å; R261-N284 PolarHBondContact NH2-OD1 3.27Å; V273-N284 HydrophobicContact CG1-CB 4.01Å |
| 285 | V | 91.6 | Very high | 91.2 | Very high | 21 Ų | 21 | 61.6 Ų | 61.6 | 13% | 0.127 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 111.9 | 177.3 | -169.7 | 0 | 0 | 0 | 0 | 108.8 | L274 L298 I323 L325 | L274-V285 HydrophobicContact CB-CB 4.45Å; L274-V285 PolarHBondContact N-O 2.79Å; L274-V285 PolarHBondContact O-N 2.9Å; V285-L298 HydrophobicContact CG1-CB 4.13Å; V285-L298 HydrophobicContact CG1-CD2 3.74Å; V285-L298 HydrophobicContact CG1-CG 4.45Å; V285-I323 HydrophobicContact CG1-CD1 4.32Å; V285-I323 HydrophobicContact CG2-CD1 4.26Å; V285-L325 HydrophobicContact CG2-CD2 3.87Å |
| 286 | K | 91.2 | Very high | 91 | Very high | 82 Ų | 82 | 62.1 Ų | 62.1 | 36% | 0.357 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 141.9 | 175.8 | -61.5 | -165.8 | -177.7 | -174.5 | 0 | 110.9 | E270 L298 G299 | E270-K286 HydrophobicContact CG-CD 4.24Å; E270-K286 WeakPolarHBondContact OE1-CD 3.29Å; E270-K286 IonicContact OE1-NZ 2.91Å; E270-K286 PolarHBondContact OE1-NZ 2.94Å; E270-K286 WeakPolarHBondContact OE2-CD 3.48Å; E270-K286 WeakPolarHBondContact OE2-CE 3.37Å; E270-K286 IonicContact OE2-NZ 3.28Å; E270-K286 PolarHBondContact OE2-NZ 2.82Å; K286-L298 CarbonylContact O-C 3.53Å; K286-G299 PolarHBondContact O-N 2.97Å |
| 287 | I | 91.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 122.2 | 168.5 | -59 | 163.3 | 0 | 0 | 0 | 107.1 | V260 L272 L274 Y296 L298 V311 I314 | V260-I287 HydrophobicContact CG1-CD1 3.93Å; V260-I287 HydrophobicContact CG2-CD1 4.38Å; L272-I287 HydrophobicContact CB-CB 4.07Å; L272-I287 HydrophobicContact CB-CD1 3.93Å; L272-I287 PolarHBondContact O-N 3.01Å; L274-I287 HydrophobicContact CB-CD1 4.06Å; L274-I287 HydrophobicContact CB-CG1 4.26Å; I287-Y296 HydrophobicContact CG2-CD1 3.98Å; I287-L298 HydrophobicContact CG1-CD2 3.9Å; I287-V311 HydrophobicContact CD1-CG1 3.8Å; I287-V311 HydrophobicContact CD1-CG2 4.42Å; I287-V311 HydrophobicContact CG2-CG2 4.06Å; I287-I314 HydrophobicContact CG2-CD1 4Å |
| 288 | R | 90.2 | Very high | 90.5 | Very high | 88 Ų | 88 | 62.7 Ų | 62.7 | 33% | 0.332 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 143 | 179.8 | -73.7 | 172.6 | 71.4 | -170.5 | 5.9 | 111 | S269 E270 Y296 A297 G299 T300 | S269-R288 CarbonylContact O-C 3.53Å; S269-R288 WeakPolarHBondContact O-CA 3.37Å; E270-R288 HydrophobicContact CG-CG 3.73Å; R288-Y296 CarbonylContact O-C 3.4Å; R288-Y296 VanDerWaalsContact O-CA 3.27Å; R288-Y296 WeakPolarHBondContact O-CA 3.48Å; R288-A297 PolarHBondContact N-O 2.96Å; R288-A297 PolarHBondContact O-N 2.79Å; R288-G299 WeakPolarHBondContact CD-O 3.37Å; R288-T300 PolarHBondContact NH1-O 3.4Å |
| 289 | F | 89.7 | Confident | 90.1 | Very high | 65 Ų | 65 | 62.7 Ų | 62.7 | 29% | 0.285 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122 | 169.3 | -175.4 | -117.1 | 0 | 0 | 0 | 110.4 | S269 P271 G291 R294 Y296 | S269-F289 PolarHBondContact O-N 3.03Å; P271-F289 HydrophobicContact CG-CB 4.48Å; F289-G291 PolarHBondContact O-N 2.81Å; F289-R294 HydrophobicContact CE2-CB 4.43Å; F289-R294 HydrophobicContact CZ-CB 4.19Å; F289-R294 HydrophobicContact CZ-CG 4.4Å; F289-Y296 HydrophobicContact CB-CD1 4.35Å; F289-Y296 HydrophobicContact CB-CE1 4.1Å; F289-Y296 AromaticContact CD2-CD1 3.97Å; F289-Y296 HydrophobicContact CD2-CD1 3.97Å; F289-Y296 HydrophobicContact CD2-CD2 4.49Å; F289-Y296 AromaticContact CD2-CE1 3.5Å; F289-Y296 HydrophobicContact CD2-CE1 3.5Å; F289-Y296 VanDerWaalsContact CD2-CE1 3.5Å; F289-Y296 HydrophobicContact CD2-CE2 4.07Å; F289-Y296 HydrophobicContact CD2-CG 4.43Å; F289-Y296 AromaticContact CD2-CZ 3.53Å; F289-Y296 HydrophobicContact CE2-CE1 4.31Å; F289-Y296 HydrophobicContact CE2-CE2 4.17Å; F289-Y296 AromaticContact CE2-CZ 3.87Å; F289-Y296 HydrophobicContact CG-CE1 4.16Å |
| 290 | I | 88.9 | Confident | 89.2 | Confident | 48 Ų | 48 | 62.5 Ų | 62.5 | 25% | 0.246 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 88.3 | 177.8 | -55 | 177.4 | 0 | 0 | 0 | 107.6 | S292 L293 R294 K295 A297 M307 | I290-S292 PolarHBondContact O-N 3Å; I290-S292 VanDerWaalsContact O-N 3.15Å; I290-L293 HydrophobicContact CG2-CB 4.22Å; I290-L293 HydrophobicContact CG2-CD1 4.35Å; I290-L293 HydrophobicContact CG2-CG 4.28Å; I290-L293 PolarHBondContact O-N 3.24Å; I290-R294 WeakPolarHBondContact O-CA 3.42Å; I290-R294 PolarHBondContact O-N 2.98Å; I290-K295 WeakPolarHBondContact CB-O 3.29Å; I290-K295 PolarHBondContact N-O 3.21Å; I290-K295 PolarHBondContact O-N 2.99Å; I290-A297 HydrophobicContact CD1-CB 3.9Å; I290-M307 HydrophobicContact CD1-CG 4.25Å; I290-M307 HydrophobicContact CD1-SD 4.2Å |
| 291 | G | 86.2 | Confident | 88 | Confident | 49 Ų | 49 | 56.6 Ų | 56.6 | 51% | 0.505 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -31.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115 | F289 L293 R294 | F289-G291 PolarHBondContact O-N 2.81Å; G291-L293 VanDerWaalsContact C-N 3.33Å; G291-L293 PolarHBondContact O-N 3.23Å; G291-R294 PolarHBondContact O-N 3.22Å |
| 292 | S | 88.4 | Confident | 86.5 | Confident | 109 Ų | 109 | 60.8 Ų | 60.8 | 76% | 0.762 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -29.3 | 177.9 | 52.4 | 0 | 0 | 0 | 0 | 114.1 | I290 | I290-S292 PolarHBondContact O-N 3Å; I290-S292 VanDerWaalsContact O-N 3.15Å |
| 293 | L | 88.6 | Confident | 84.9 | Confident | 100 Ų | 100 | 68.8 Ų | 68.8 | 52% | 0.524 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -6.6 | 179.1 | -62.5 | 178 | 0 | 0 | 0 | 112.7 | I290 G291 K295 M307 | I290-L293 HydrophobicContact CG2-CB 4.22Å; I290-L293 HydrophobicContact CG2-CD1 4.35Å; I290-L293 HydrophobicContact CG2-CG 4.28Å; I290-L293 PolarHBondContact O-N 3.24Å; G291-L293 VanDerWaalsContact C-N 3.33Å; G291-L293 PolarHBondContact O-N 3.23Å; L293-K295 HydrophobicContact CB-CB 4.37Å; L293-K295 HydrophobicContact CB-CG 4.34Å; L293-K295 PolarHBondContact O-N 3.45Å; L293-M307 HydrophobicContact CD1-CE 4.42Å; L293-M307 HydrophobicContact CD1-SD 3.63Å |
| 294 | R | 89.1 | Confident | 83.7 | Confident | 203 Ų | 203 | 69.7 Ų | 69.7 | 77% | 0.766 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 36.7 | -168.4 | -59.9 | -176.5 | 175.9 | -175.4 | -1.2 | 113.4 | F289 I290 G291 | F289-R294 HydrophobicContact CE2-CB 4.43Å; F289-R294 HydrophobicContact CZ-CB 4.19Å; F289-R294 HydrophobicContact CZ-CG 4.4Å; I290-R294 WeakPolarHBondContact O-CA 3.42Å; I290-R294 PolarHBondContact O-N 2.98Å; G291-R294 PolarHBondContact O-N 3.22Å |
| 295 | K | 91.6 | Very high | 82.7 | Confident | 69 Ų | 69 | 74.5 Ų | 74.5 | 30% | 0.3 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 156.9 | -179.8 | -70.1 | -167.5 | 179.5 | -164.4 | 0 | 112.4 | I290 L293 M307 F308 | I290-K295 WeakPolarHBondContact CB-O 3.29Å; I290-K295 PolarHBondContact N-O 3.21Å; I290-K295 PolarHBondContact O-N 2.99Å; L293-K295 HydrophobicContact CB-CB 4.37Å; L293-K295 HydrophobicContact CB-CG 4.34Å; L293-K295 PolarHBondContact O-N 3.45Å; K295-M307 HydrophobicContact CB-CB 4.21Å; K295-M307 HydrophobicContact CD-CB 3.84Å; K295-F308 CarbonylContact C-O 3.52Å; K295-F308 VanDerWaalsContact CA-O 3.31Å; K295-F308 WeakPolarHBondContact CA-O 3.16Å; K295-F308 WeakPolarHBondContact CB-O 3.5Å |
| 296 | Y | 91.3 | Very high | 82.5 | Confident | 11 Ų | 11 | 77.4 Ų | 77.4 | 4% | 0.043 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 144.8 | 173.9 | -61 | -86.8 | 0 | 0 | 0 | 110.9 | Q228 Y230 I287 R288 F289 M307 F308 E309 V311 | Q228-Y296 VanDerWaalsContact CD-OH 3.29Å; Q228-Y296 PolarHBondContact NE2-OH 2.56Å; Q228-Y296 PolarHBondContact OE1-OH 2.83Å; Y230-Y296 PolarHBondContact OH-OH 2.81Å; I287-Y296 HydrophobicContact CG2-CD1 3.98Å; R288-Y296 CarbonylContact O-C 3.4Å; R288-Y296 VanDerWaalsContact O-CA 3.27Å; R288-Y296 WeakPolarHBondContact O-CA 3.48Å; F289-Y296 HydrophobicContact CB-CD1 4.35Å; F289-Y296 HydrophobicContact CB-CE1 4.1Å; F289-Y296 AromaticContact CD2-CD1 3.97Å; F289-Y296 HydrophobicContact CD2-CD1 3.97Å; F289-Y296 HydrophobicContact CD2-CD2 4.49Å; F289-Y296 AromaticContact CD2-CE1 3.5Å; F289-Y296 HydrophobicContact CD2-CE1 3.5Å; F289-Y296 VanDerWaalsContact CD2-CE1 3.5Å; F289-Y296 HydrophobicContact CD2-CE2 4.07Å; F289-Y296 HydrophobicContact CD2-CG 4.43Å; F289-Y296 AromaticContact CD2-CZ 3.53Å; F289-Y296 HydrophobicContact CE2-CE1 4.31Å; F289-Y296 HydrophobicContact CE2-CE2 4.17Å; F289-Y296 AromaticContact CE2-CZ 3.87Å; F289-Y296 HydrophobicContact CG-CE1 4.16Å; Y296-M307 WeakPolarHBondContact O-CA 3.35Å; Y296-F308 PolarHBondContact N-O 2.81Å; Y296-F308 PolarHBondContact O-N 3.44Å; Y296-E309 WeakPolarHBondContact CE2-O 3.38Å; Y296-V311 HydrophobicContact CD1-CG2 4.02Å; Y296-V311 HydrophobicContact CE1-CG2 4.27Å; Y296-V311 HydrophobicContact CG-CG2 4.25Å |
| 297 | A | 90.9 | Very high | 82.5 | Confident | 9 Ų | 9 | 77.9 Ų | 77.9 | 7% | 0.074 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 151.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | R288 I290 | R288-A297 PolarHBondContact N-O 2.96Å; R288-A297 PolarHBondContact O-N 2.79Å; I290-A297 HydrophobicContact CD1-CB 3.9Å |
| 298 | L | 90.2 | Very high | 82.5 | Confident | 8 Ų | 8 | 79.1 Ų | 79.1 | 4% | 0.042 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 157.1 | 177.4 | -73 | 166.1 | 0 | 0 | 0 | 112.1 | L274 V285 K286 I287 S304 I314 H318 I323 | L274-L298 HydrophobicContact CD2-CD2 4.32Å; V285-L298 HydrophobicContact CG1-CB 4.13Å; V285-L298 HydrophobicContact CG1-CD2 3.74Å; V285-L298 HydrophobicContact CG1-CG 4.45Å; K286-L298 CarbonylContact O-C 3.53Å; I287-L298 HydrophobicContact CG1-CD2 3.9Å; L298-S304 PolarHBondContact O-OG 2.94Å; L298-I314 HydrophobicContact CD1-CG2 3.66Å; L298-I314 HydrophobicContact CD2-CD1 4.5Å; L298-I314 HydrophobicContact CD2-CG2 4.01Å; L298-I314 HydrophobicContact CG-CD1 4.4Å; L298-I314 HydrophobicContact CG-CG2 3.94Å; L298-H318 WeakPolarHBondContact CD1-NE2 3.37Å; L298-I323 HydrophobicContact CD1-CD1 3.66Å; L298-I323 HydrophobicContact CD1-CG1 4.24Å; L298-I323 HydrophobicContact CD2-CD1 4.49Å |
| 299 | G | 84.6 | Confident | 82.5 | Confident | 18 Ų | 18 | 82.4 Ų | 82.4 | 19% | 0.186 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | -161.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | K286 R288 G301 | K286-G299 PolarHBondContact O-N 2.97Å; R288-G299 WeakPolarHBondContact CD-O 3.37Å; G299-G301 VanDerWaalsContact C-N 3.26Å; G299-G301 PolarHBondContact O-N 3.48Å |
| 300 | T | 71.3 | Confident | 82.7 | Confident | 102 Ų | 102 | 81.3 Ų | 81.3 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 13.5 | -179 | 45.3 | 0 | 0 | 0 | 0 | 113.9 | R288 Q302 | R288-T300 PolarHBondContact NH1-O 3.4Å; T300-Q302 PolarHBondContact O-N 3.31Å |
| 301 | G | 63.8 | Low | 82.8 | Confident | 44 Ų | 44 | 79 Ų | 79 | 45% | 0.454 | 42% | 0.42 | S | S | . | . | S | Bend | trans | 71.7 | 4.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | G299 | G299-G301 VanDerWaalsContact C-N 3.26Å; G299-G301 PolarHBondContact O-N 3.48Å |
| 302 | Q | 59.3 | Low | 83.1 | Confident | 162 Ų | 162 | 78.1 Ų | 78.1 | 76% | 0.757 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -88.1 | -7.8 | 178.3 | -156.9 | -175.9 | 8.8 | 0 | 0 | 113.4 | T300 | T300-Q302 PolarHBondContact O-N 3.31Š|
| 303 | R | 59.8 | Low | 83.3 | Confident | 196 Ų | 196 | 74.2 Ų | 74.2 | 74% | 0.74 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -141.6 | -34.6 | -174.4 | -73 | -161 | 168.7 | 106.1 | 3.7 | 115.7 | ||
| 304 | S | 66.2 | Low | 83.6 | Confident | 32 Ų | 32 | 69.4 Ų | 69.4 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | trans | -92.8 | 109.2 | 174.9 | 25.8 | 0 | 0 | 0 | 0 | 109.1 | L298 D306 | L298-S304 PolarHBondContact O-OG 2.94Å; S304-D306 VanDerWaalsContact C-N 3.32Å | ||
| 305 | N | 72.2 | Confident | 83.8 | Confident | 149 Ų | 149 | 60 Ų | 60 | 80% | 0.797 | 33% | 0.325 | S | S | * | . | trans | -90.6 | -4.3 | 173.4 | -136.3 | 20.5 | 0 | 0 | 0 | 111.7 | ||||
| 306 | D | 86.9 | Confident | 83.9 | Confident | 82 Ų | 82 | 64.4 Ų | 64.4 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | trans | -75.1 | 127.7 | -175.9 | -50.2 | -51.4 | 0 | 0 | 0 | 110.6 | S304 F308 | S304-D306 VanDerWaalsContact C-N 3.32Å; D306-F308 HydrophobicContact CB-CE2 3.54Å; D306-F308 HydrophobicContact CB-CZ 3.7Å | ||
| 307 | M | 90.6 | Very high | 84.1 | Confident | 92 Ų | 92 | 67.3 Ų | 67.3 | 45% | 0.453 | 36% | 0.357 | S | S | . | . | trans | -122.7 | 126.5 | -177.2 | -67.5 | -178.8 | -73.3 | 0 | 0 | 110.4 | I290 L293 K295 Y296 | I290-M307 HydrophobicContact CD1-CG 4.25Å; I290-M307 HydrophobicContact CD1-SD 4.2Å; L293-M307 HydrophobicContact CD1-CE 4.42Å; L293-M307 HydrophobicContact CD1-SD 3.63Å; K295-M307 HydrophobicContact CB-CB 4.21Å; K295-M307 HydrophobicContact CD-CB 3.84Å; Y296-M307 WeakPolarHBondContact O-CA 3.35Å | ||
| 308 | F | 92.3 | Very high | 84.2 | Confident | 25 Ų | 25 | 67.4 Ų | 67.4 | 11% | 0.11 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -117.4 | 151.8 | -171.1 | -57 | -93.1 | 0 | 0 | 0 | 111 | K295 Y296 D306 I314 F317 | K295-F308 CarbonylContact C-O 3.52Å; K295-F308 VanDerWaalsContact CA-O 3.31Å; K295-F308 WeakPolarHBondContact CA-O 3.16Å; K295-F308 WeakPolarHBondContact CB-O 3.5Å; Y296-F308 PolarHBondContact N-O 2.81Å; Y296-F308 PolarHBondContact O-N 3.44Å; D306-F308 HydrophobicContact CB-CE2 3.54Å; D306-F308 HydrophobicContact CB-CZ 3.7Å; F308-I314 HydrophobicContact CB-CD1 4.48Å; F308-I314 HydrophobicContact CB-CG1 3.66Å; F308-I314 HydrophobicContact CD1-CG1 4.14Å; F308-I314 HydrophobicContact CD2-CD1 4.22Å; F308-I314 HydrophobicContact CD2-CG1 3.48Å; F308-I314 VanDerWaalsContact CD2-CG1 3.48Å; F308-I314 HydrophobicContact CE2-CG1 4.1Å; F308-I314 HydrophobicContact CG-CB 4.43Å; F308-I314 HydrophobicContact CG-CG1 3.48Å; F308-I314 VanDerWaalsContact CG-CG1 3.48Å; F308-F317 HydrophobicContact CD1-CB 4.44Å; F308-F317 HydrophobicContact CE1-CB 3.62Å; F308-F317 AromaticContact CE1-CD1 3.75Å; F308-F317 HydrophobicContact CE1-CD1 3.75Å; F308-F317 HydrophobicContact CE1-CD2 4.34Å; F308-F317 HydrophobicContact CE1-CE1 4.5Å; F308-F317 AromaticContact CE1-CG 3.66Å; F308-F317 HydrophobicContact CE1-CG 3.66Å; F308-F317 HydrophobicContact CZ-CB 4.38Å; F308-F317 AromaticContact CZ-CD1 3.73Å; F308-F317 HydrophobicContact CZ-CD1 3.73Å; F308-F317 HydrophobicContact CZ-CE1 4.23Å; F308-F317 HydrophobicContact CZ-CG 4.14Å |
| 309 | E | 91.8 | Very high | 84.4 | Confident | 157 Ų | 157 | 69.6 Ų | 69.6 | 73% | 0.734 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -79.9 | -25.5 | 179.6 | -65.3 | 174.3 | 176.7 | 0 | 0 | 112.3 | Y296 | Y296-E309 WeakPolarHBondContact CE2-O 3.38Š|
| 310 | S | 92.1 | Very high | 84.8 | Confident | 42 Ų | 42 | 74.4 Ų | 74.4 | 29% | 0.294 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -148.9 | 163.1 | 177.4 | 70.6 | 0 | 0 | 0 | 0 | 111.8 | G313 I314 | S310-G313 WeakPolarHBondContact O-CA 3.16Å; S310-G313 PolarHBondContact O-N 3.36Å; S310-G313 VanDerWaalsContact O-N 3.11Å; S310-G313 PolarHBondContact OG-N 3.01Å; S310-I314 PolarHBondContact O-N 2.92Å |
| 311 | V | 91.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.7 | -38 | 172.9 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | Y230 W235 V260 L272 I287 Y296 G313 I314 I315 | Y230-V311 HydrophobicContact CE1-CB 3.96Å; Y230-V311 HydrophobicContact CE1-CG2 4.27Å; Y230-V311 HydrophobicContact CE2-CG2 4.33Å; W235-V311 HydrophobicContact CH2-CB 4.09Å; W235-V311 HydrophobicContact CH2-CG1 3.6Å; W235-V311 HydrophobicContact CZ3-CG1 3.8Å; V260-V311 HydrophobicContact CG2-CG1 4.36Å; L272-V311 HydrophobicContact CD1-CG2 3.85Å; I287-V311 HydrophobicContact CD1-CG1 3.8Å; I287-V311 HydrophobicContact CD1-CG2 4.42Å; I287-V311 HydrophobicContact CG2-CG2 4.06Å; Y296-V311 HydrophobicContact CD1-CG2 4.02Å; Y296-V311 HydrophobicContact CE1-CG2 4.27Å; Y296-V311 HydrophobicContact CG-CG2 4.25Å; V311-G313 PolarHBondContact O-N 3.25Å; V311-I314 WeakPolarHBondContact O-CA 3.41Å; V311-I314 VanDerWaalsContact O-CB 3.28Å; V311-I314 WeakPolarHBondContact O-CB 3.31Å; V311-I314 PolarHBondContact O-N 3.08Å; V311-I315 WeakPolarHBondContact O-CG1 3.2Å; V311-I315 PolarHBondContact O-N 2.99Å |
| 312 | A | 93.3 | Very high | 87.1 | Confident | 31 Ų | 31 | 75.8 Ų | 75.8 | 26% | 0.256 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.3 | -35.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | W235 I315 K316 | W235-A312 HydrophobicContact CZ2-CB 4.09Å; A312-I315 PolarHBondContact O-N 3.25Å; A312-K316 VanDerWaalsContact O-CB 3.23Å; A312-K316 WeakPolarHBondContact O-CB 3.47Å; A312-K316 PolarHBondContact O-N 2.64Å |
| 313 | G | 93 | Very high | 88.6 | Confident | 26 Ų | 26 | 68.3 Ų | 68.3 | 27% | 0.268 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S310 V311 F317 | S310-G313 WeakPolarHBondContact O-CA 3.16Å; S310-G313 PolarHBondContact O-N 3.36Å; S310-G313 VanDerWaalsContact O-N 3.11Å; S310-G313 PolarHBondContact OG-N 3.01Å; V311-G313 PolarHBondContact O-N 3.25Å; G313-F317 WeakPolarHBondContact O-CB 3.07Å; G313-F317 PolarHBondContact O-N 3.36Å |
| 314 | I | 93.1 | Very high | 90 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.4 | -52.4 | 172.6 | -63 | 174.7 | 0 | 0 | 0 | 110.3 | I287 L298 F308 S310 V311 K316 F317 H318 | I287-I314 HydrophobicContact CG2-CD1 4Å; L298-I314 HydrophobicContact CD1-CG2 3.66Å; L298-I314 HydrophobicContact CD2-CD1 4.5Å; L298-I314 HydrophobicContact CD2-CG2 4.01Å; L298-I314 HydrophobicContact CG-CD1 4.4Å; L298-I314 HydrophobicContact CG-CG2 3.94Å; F308-I314 HydrophobicContact CB-CD1 4.48Å; F308-I314 HydrophobicContact CB-CG1 3.66Å; F308-I314 HydrophobicContact CD1-CG1 4.14Å; F308-I314 HydrophobicContact CD2-CD1 4.22Å; F308-I314 HydrophobicContact CD2-CG1 3.48Å; F308-I314 VanDerWaalsContact CD2-CG1 3.48Å; F308-I314 HydrophobicContact CE2-CG1 4.1Å; F308-I314 HydrophobicContact CG-CB 4.43Å; F308-I314 HydrophobicContact CG-CG1 3.48Å; F308-I314 VanDerWaalsContact CG-CG1 3.48Å; S310-I314 PolarHBondContact O-N 2.92Å; V311-I314 WeakPolarHBondContact O-CA 3.41Å; V311-I314 VanDerWaalsContact O-CB 3.28Å; V311-I314 WeakPolarHBondContact O-CB 3.31Å; V311-I314 PolarHBondContact O-N 3.08Å; I314-K316 PolarHBondContact O-N 3.39Å; I314-F317 PolarHBondContact O-N 3.17Å; I314-H318 PolarHBondContact O-CD2 2.7Å; I314-H318 PolarHBondContact O-N 3.4Å |
| 315 | I | 94.1 | Very high | 91.1 | Very high | 6 Ų | 6 | 61.3 Ų | 61.3 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.2 | -45.5 | -177.2 | -59 | -56.7 | 0 | 0 | 0 | 110.9 | W235 Y258 V260 L274 V311 A312 F317 H318 S319 L342 | W235-I315 HydrophobicContact CD2-CG1 4.13Å; W235-I315 HydrophobicContact CE3-CG1 4.37Å; W235-I315 HydrophobicContact CH2-CG1 4.33Å; W235-I315 HydrophobicContact CZ2-CG1 4.03Å; W235-I315 HydrophobicContact CZ3-CG1 4.47Å; Y258-I315 HydrophobicContact CD2-CD1 4.18Å; Y258-I315 HydrophobicContact CE2-CD1 4.04Å; Y258-I315 HydrophobicContact CE2-CG1 4.47Å; Y258-I315 HydrophobicContact CE2-CG2 3.55Å; Y258-I315 VanDerWaalsContact OH-CG2 3.29Å; Y258-I315 WeakPolarHBondContact OH-CG2 3.29Å; V260-I315 HydrophobicContact CG2-CD1 4.09Å; L274-I315 HydrophobicContact CD1-CD1 3.8Å; L274-I315 HydrophobicContact CD2-CD1 4.26Å; V311-I315 WeakPolarHBondContact O-CG1 3.2Å; V311-I315 PolarHBondContact O-N 2.99Å; A312-I315 PolarHBondContact O-N 3.25Å; I315-F317 VanDerWaalsContact C-N 3.34Å; I315-F317 PolarHBondContact O-N 2.61Å; I315-H318 CarbonylContact O-C 3.59Å; I315-H318 PolarHBondContact O-N 2.86Å; I315-S319 PolarHBondContact O-N 3.36Å; I315-L342 HydrophobicContact CD1-CD1 3.76Å; I315-L342 HydrophobicContact CG2-CD1 4.39Å |
| 316 | K | 94 | Very high | 91.6 | Very high | 160 Ų | 160 | 58.1 Ų | 58.1 | 70% | 0.696 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66 | -32.5 | 178.9 | -176.8 | 176.7 | 179.4 | 178.6 | 0 | 113.4 | A312 I314 S319 | A312-K316 VanDerWaalsContact O-CB 3.23Å; A312-K316 WeakPolarHBondContact O-CB 3.47Å; A312-K316 PolarHBondContact O-N 2.64Å; I314-K316 PolarHBondContact O-N 3.39Å; K316-S319 PolarHBondContact O-OG 3.43Å; K316-S319 VanDerWaalsContact O-OG 3.08Å |
| 317 | F | 94.3 | Very high | 91.1 | Very high | 73 Ų | 73 | 56.3 Ų | 56.3 | 32% | 0.32 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.4 | -46.2 | 172.5 | -180 | -100.3 | 0 | 0 | 0 | 110.5 | F308 G313 I314 I315 S319 I320 F321 | F308-F317 HydrophobicContact CD1-CB 4.44Å; F308-F317 HydrophobicContact CE1-CB 3.62Å; F308-F317 AromaticContact CE1-CD1 3.75Å; F308-F317 HydrophobicContact CE1-CD1 3.75Å; F308-F317 HydrophobicContact CE1-CD2 4.34Å; F308-F317 HydrophobicContact CE1-CE1 4.5Å; F308-F317 AromaticContact CE1-CG 3.66Å; F308-F317 HydrophobicContact CE1-CG 3.66Å; F308-F317 HydrophobicContact CZ-CB 4.38Å; F308-F317 AromaticContact CZ-CD1 3.73Å; F308-F317 HydrophobicContact CZ-CD1 3.73Å; F308-F317 HydrophobicContact CZ-CE1 4.23Å; F308-F317 HydrophobicContact CZ-CG 4.14Å; G313-F317 WeakPolarHBondContact O-CB 3.07Å; G313-F317 PolarHBondContact O-N 3.36Å; I314-F317 PolarHBondContact O-N 3.17Å; I315-F317 VanDerWaalsContact C-N 3.34Å; I315-F317 PolarHBondContact O-N 2.61Å; F317-S319 VanDerWaalsContact C-N 3.32Å; F317-S319 PolarHBondContact O-N 3.27Å; F317-I320 PolarHBondContact O-N 3.05Å; F317-F321 HydrophobicContact CD1-CB 4.29Å; F317-F321 HydrophobicContact CD1-CD2 4.4Å; F317-F321 AromaticContact CD2-CD2 3.56Å; F317-F321 HydrophobicContact CD2-CD2 3.56Å; F317-F321 HydrophobicContact CD2-CE2 4.01Å; F317-F321 HydrophobicContact CE1-CB 3.89Å; F317-F321 HydrophobicContact CE1-CD2 4.22Å; F317-F321 HydrophobicContact CE1-CG 4.3Å; F317-F321 HydrophobicContact CE2-CB 4.47Å; F317-F321 AromaticContact CE2-CD2 3.32Å; F317-F321 HydrophobicContact CE2-CD2 3.32Å; F317-F321 AromaticContact CE2-CE2 3.7Å; F317-F321 HydrophobicContact CE2-CE2 3.7Å; F317-F321 HydrophobicContact CE2-CG 4.02Å; F317-F321 HydrophobicContact CG-CD2 4.1Å; F317-F321 HydrophobicContact CZ-CB 3.99Å; F317-F321 AromaticContact CZ-CD2 3.69Å; F317-F321 HydrophobicContact CZ-CD2 3.69Å; F317-F321 HydrophobicContact CZ-CE2 4.39Å; F317-F321 AromaticContact CZ-CG 3.9Å; F317-F321 HydrophobicContact CZ-CG 3.9Å; F317-F321 WeakPolarHBondContact O-CD2 3.45Å; F317-F321 PolarHBondContact O-N 3.11Å |
| 318 | H | 93.8 | Very high | 89.8 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 5% | 0.046 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -81.4 | -2.4 | -175.9 | -72.4 | -60 | 0 | 0 | 0 | 116 | L298 I314 I315 I320 F321 I323 L342 | L298-H318 WeakPolarHBondContact CD1-NE2 3.37Å; I314-H318 PolarHBondContact O-CD2 2.7Å; I314-H318 PolarHBondContact O-N 3.4Å; I315-H318 CarbonylContact O-C 3.59Å; I315-H318 PolarHBondContact O-N 2.86Å; H318-I320 VanDerWaalsContact C-N 3.27Å; H318-F321 CarbonylContact C-O 3.59Å; H318-F321 WeakPolarHBondContact CA-O 3.47Å; H318-F321 PolarHBondContact ND1-O 3.45Å; H318-I323 HydrophobicContact CB-CB 4.39Å; H318-L342 HydrophobicContact CB-CD1 3.58Å; H318-L342 HydrophobicContact CB-CG 3.86Å; H318-L342 PolarHBondContact O-N 3.39Å |
| 319 | S | 93.7 | Very high | 88.4 | Confident | 54 Ų | 54 | 64.1 Ų | 64.1 | 38% | 0.378 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -9.7 | 164.1 | 66.3 | 0 | 0 | 0 | 0 | 113.4 | I315 K316 F317 V341 L342 | I315-S319 PolarHBondContact O-N 3.36Å; K316-S319 PolarHBondContact O-OG 3.43Å; K316-S319 VanDerWaalsContact O-OG 3.08Å; F317-S319 VanDerWaalsContact C-N 3.32Å; F317-S319 PolarHBondContact O-N 3.27Å; S319-V341 VanDerWaalsContact C-CG1 3.47Å; S319-V341 WeakPolarHBondContact O-CG1 3.27Å; S319-L342 WeakPolarHBondContact CA-O 3.42Å; S319-L342 WeakPolarHBondContact CB-O 3.21Å |
| 320 | I | 93.5 | Very high | 86.6 | Confident | 120 Ų | 120 | 63.5 Ų | 63.5 | 62% | 0.615 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | -45.6 | 174.8 | -55.8 | 175.5 | 0 | 0 | 0 | 110.4 | F317 H318 | F317-I320 PolarHBondContact O-N 3.05Å; H318-I320 VanDerWaalsContact C-N 3.27Å |
| 321 | F | 92.2 | Very high | 84.5 | Confident | 107 Ų | 107 | 65.7 Ų | 65.7 | 47% | 0.469 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -102.3 | 129.9 | -177.4 | -62.2 | -76 | 0 | 0 | 0 | 111.5 | F317 H318 I323 | F317-F321 HydrophobicContact CD1-CB 4.29Å; F317-F321 HydrophobicContact CD1-CD2 4.4Å; F317-F321 AromaticContact CD2-CD2 3.56Å; F317-F321 HydrophobicContact CD2-CD2 3.56Å; F317-F321 HydrophobicContact CD2-CE2 4.01Å; F317-F321 HydrophobicContact CE1-CB 3.89Å; F317-F321 HydrophobicContact CE1-CD2 4.22Å; F317-F321 HydrophobicContact CE1-CG 4.3Å; F317-F321 HydrophobicContact CE2-CB 4.47Å; F317-F321 AromaticContact CE2-CD2 3.32Å; F317-F321 HydrophobicContact CE2-CD2 3.32Å; F317-F321 AromaticContact CE2-CE2 3.7Å; F317-F321 HydrophobicContact CE2-CE2 3.7Å; F317-F321 HydrophobicContact CE2-CG 4.02Å; F317-F321 HydrophobicContact CG-CD2 4.1Å; F317-F321 HydrophobicContact CZ-CB 3.99Å; F317-F321 AromaticContact CZ-CD2 3.69Å; F317-F321 HydrophobicContact CZ-CD2 3.69Å; F317-F321 HydrophobicContact CZ-CE2 4.39Å; F317-F321 AromaticContact CZ-CG 3.9Å; F317-F321 HydrophobicContact CZ-CG 3.9Å; F317-F321 WeakPolarHBondContact O-CD2 3.45Å; F317-F321 PolarHBondContact O-N 3.11Å; H318-F321 CarbonylContact C-O 3.59Å; H318-F321 WeakPolarHBondContact CA-O 3.47Å; H318-F321 PolarHBondContact ND1-O 3.45Å; F321-I323 PolarHBondContact O-N 3.19Å |
| 322 | P | 91.4 | Very high | 82.6 | Confident | 67 Ų | 67 | 70.3 Ų | 70.3 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 134.6 | -176.2 | 24.2 | -33.2 | 0 | 0 | 0 | 112.3 | N339 C340 V341 | P322-N339 HydrophobicContact CB-CB 4.07Å; P322-C340 CarbonylContact C-O 3.2Å; P322-C340 WeakPolarHBondContact CA-O 2.98Å; P322-V341 HydrophobicContact CB-CG2 4.08Å |
| 323 | I | 91.1 | Very high | 80.6 | Confident | 5 Ų | 5 | 73.7 Ų | 73.7 | 3% | 0.026 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 132.5 | 168.4 | -170.3 | 173 | 0 | 0 | 0 | 109.9 | L274 V285 L298 H318 F321 L325 C340 L342 | L274-I323 HydrophobicContact CD2-CD1 3.82Å; V285-I323 HydrophobicContact CG1-CD1 4.32Å; V285-I323 HydrophobicContact CG2-CD1 4.26Å; L298-I323 HydrophobicContact CD1-CD1 3.66Å; L298-I323 HydrophobicContact CD1-CG1 4.24Å; L298-I323 HydrophobicContact CD2-CD1 4.49Å; H318-I323 HydrophobicContact CB-CB 4.39Å; F321-I323 PolarHBondContact O-N 3.19Å; I323-L325 HydrophobicContact CG1-CD2 4.45Å; I323-L325 HydrophobicContact CG2-CD2 3.87Å; I323-L325 HydrophobicContact CG2-CG 4.2Å; I323-L325 PolarHBondContact O-N 3.4Å; I323-C340 HydrophobicContact CG2-CB 4.39Å; I323-C340 WeakPolarHBondContact CG2-O 3.28Å; I323-C340 PolarHBondContact N-O 3.07Å; I323-C340 PolarHBondContact O-N 2.89Å; I323-C340 VanDerWaalsContact O-N 3.12Å; I323-L342 HydrophobicContact CG2-CD2 4.36Å |
| 324 | T | 89.3 | Confident | 78.8 | Confident | 78 Ų | 78 | 75 Ų | 75 | 48% | 0.479 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 106.9 | 177 | -47.6 | 0 | 0 | 0 | 0 | 110.4 | P337 | T324-P337 HydrophobicContact CG2-CB 3.57Å; T324-P337 HydrophobicContact CG2-CG 3.96Å |
| 325 | L | 88.4 | Confident | 77.1 | Confident | 3 Ų | 3 | 84.1 Ų | 84.1 | 2% | 0.016 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 127.8 | -179 | -59.7 | 178.5 | 0 | 0 | 0 | 110.8 | V276 H278 Y283 V285 I323 E338 C340 | V276-L325 HydrophobicContact CG1-CD1 4.45Å; H278-L325 HydrophobicContact CB-CD1 3.74Å; Y283-L325 HydrophobicContact CD1-CB 3.95Å; Y283-L325 HydrophobicContact CD2-CB 4.24Å; Y283-L325 HydrophobicContact CD2-CD1 3.63Å; Y283-L325 HydrophobicContact CD2-CG 4.37Å; Y283-L325 HydrophobicContact CE1-CB 4.11Å; Y283-L325 HydrophobicContact CE2-CB 4.35Å; Y283-L325 HydrophobicContact CE2-CD1 4.03Å; Y283-L325 HydrophobicContact CG-CB 4.02Å; Y283-L325 HydrophobicContact CG-CD1 4.01Å; Y283-L325 HydrophobicContact CG-CD2 4.15Å; Y283-L325 HydrophobicContact CG-CG 4.28Å; V285-L325 HydrophobicContact CG2-CD2 3.87Å; I323-L325 HydrophobicContact CG1-CD2 4.45Å; I323-L325 HydrophobicContact CG2-CD2 3.87Å; I323-L325 HydrophobicContact CG2-CG 4.2Å; I323-L325 PolarHBondContact O-N 3.4Å; L325-E338 HydrophobicContact CB-CB 4.3Å; L325-E338 PolarHBondContact N-O 3.3Å; L325-E338 PolarHBondContact O-N 3.28Å; L325-C340 HydrophobicContact CD1-CB 3.48Å; L325-C340 VanDerWaalsContact CD1-CB 3.48Å; L325-C340 HydrophobicContact CG-CB 4.29Å |
| 326 | V | 83 | Confident | 75.3 | Confident | 82 Ų | 82 | 88.5 Ų | 88.5 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | trans | -117.8 | 111.4 | -178.9 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 327 | S | 76.5 | Confident | 74.1 | Confident | 45 Ų | 45 | 84.4 Ų | 84.4 | 32% | 0.315 | 49% | 0.493 | S | S | . | . | trans | -73.2 | 127.4 | 172.5 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | R329 | S327-R329 PolarHBondContact O-N 2.84Å; S327-R329 PolarHBondContact OG-N 2.99Å; S327-R329 VanDerWaalsContact OG-N 3.15Å; S327-R329 PolarHBondContact OG-O 2.78Å | ||
| 328 | G | 64.3 | Low | 73.7 | Confident | 79 Ų | 79 | 82.1 Ų | 82.1 | 81% | 0.814 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -69.5 | -13.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N330 | G328-N330 PolarHBondContact O-N 2.78Š|
| 329 | R | 62.2 | Low | 73.5 | Confident | 202 Ų | 202 | 85.9 Ų | 85.9 | 76% | 0.762 | 50% | 0.504 | S | S | * | . | trans | -98.9 | 79 | 173.8 | -72 | 173.5 | 63.2 | 175.4 | -0.6 | 109.2 | S327 T331 | S327-R329 PolarHBondContact O-N 2.84Å; S327-R329 PolarHBondContact OG-N 2.99Å; S327-R329 VanDerWaalsContact OG-N 3.15Å; S327-R329 PolarHBondContact OG-O 2.78Å; R329-T331 PolarHBondContact O-N 2.92Å | ||
| 330 | N | 53.2 | Low | 73.3 | Confident | 143 Ų | 143 | 83.4 Ų | 83.4 | 77% | 0.765 | 49% | 0.486 | S | S | * | . | trans | -74.5 | 64.7 | 176.7 | 57.3 | -10.7 | 0 | 0 | 0 | 112.5 | G328 | G328-N330 PolarHBondContact O-N 2.78Š| ||
| 331 | T | 48.8 | Very low | 73.4 | Confident | 89 Ų | 89 | 80.1 Ų | 80.1 | 55% | 0.546 | 47% | 0.471 | S | S | . | . | trans | -63.9 | 133.4 | 161.8 | 52.1 | 0 | 0 | 0 | 0 | 108.9 | R329 S333 S334 | R329-T331 PolarHBondContact O-N 2.92Å; T331-S333 PolarHBondContact O-N 3.15Å; T331-S334 PolarHBondContact O-N 3.2Å | ||
| 332 | A | 51.4 | Low | 73.5 | Confident | 96 Ų | 96 | 75.2 Ų | 75.2 | 79% | 0.793 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 7.8 | -163.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 333 | S | 51.7 | Low | 73.6 | Confident | 102 Ų | 102 | 75.9 Ų | 75.9 | 71% | 0.713 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -34.1 | 177.5 | 49.5 | 0 | 0 | 0 | 0 | 114.3 | T331 K335 | T331-S333 PolarHBondContact O-N 3.15Å; S333-K335 PolarHBondContact O-N 3.43Å |
| 334 | S | 54.8 | Low | 73.8 | Confident | 55 Ų | 55 | 77.7 Ų | 77.7 | 39% | 0.385 | 47% | 0.466 | S | S | . | . | trans | -92.5 | 79.3 | 180 | 39.8 | 0 | 0 | 0 | 0 | 111.4 | T331 C336 | T331-S334 PolarHBondContact O-N 3.2Å; S334-C336 PolarHBondContact O-N 3.5Å | ||
| 335 | K | 56.9 | Low | 74 | Confident | 191 Ų | 191 | 76.9 Ų | 76.9 | 83% | 0.83 | 46% | 0.462 | S | S | * | . | trans | -75.6 | -9 | 178.8 | -66.9 | -173.8 | 178.7 | 180 | 0 | 114.4 | S333 | S333-K335 PolarHBondContact O-N 3.43Š| ||
| 336 | C | 58 | Low | 74.3 | Confident | 97 Ų | 97 | 77 Ų | 77 | 66% | 0.655 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -116.7 | 144.3 | 179.5 | -57.9 | 0 | 0 | 0 | 0 | 109.4 | S334 | S334-C336 PolarHBondContact O-N 3.5Š|
| 337 | P | 68.8 | Low | 74.9 | Confident | 75 Ų | 75 | 74.6 Ų | 74.6 | 49% | 0.487 | 45% | 0.448 | S | S | . | . | trans | -63 | 143.3 | 166.4 | 29.4 | -33.8 | 0 | 0 | 0 | 109.8 | T324 | T324-P337 HydrophobicContact CG2-CB 3.57Å; T324-P337 HydrophobicContact CG2-CG 3.96Å | ||
| 338 | E | 84.1 | Confident | 75.6 | Confident | 24 Ų | 24 | 78.6 Ų | 78.6 | 11% | 0.112 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 146.6 | 174.8 | -72.5 | 165.9 | -138.7 | 0 | 0 | 108.8 | H278 K281 Y283 L325 | H278-E338 IonicContact CD2-OE2 2.7Å; K281-E338 IonicContact NZ-OE1 3.62Å; K281-E338 PolarHBondContact NZ-OE1 3.4Å; K281-E338 IonicContact NZ-OE2 3.73Å; K281-E338 PolarHBondContact NZ-OE2 2.88Å; Y283-E338 PolarHBondContact OH-OE1 3.5Å; Y283-E338 VanDerWaalsContact OH-OE1 3.1Å; Y283-E338 PolarHBondContact OH-OE2 3.31Å; L325-E338 HydrophobicContact CB-CB 4.3Å; L325-E338 PolarHBondContact N-O 3.3Å; L325-E338 PolarHBondContact O-N 3.28Å |
| 339 | N | 89.4 | Confident | 76.9 | Confident | 90 Ų | 90 | 79 Ų | 79 | 48% | 0.481 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 115.4 | -172.1 | -76.1 | -31.8 | 0 | 0 | 0 | 109 | P322 | P322-N339 HydrophobicContact CB-CB 4.07Å |
| 340 | C | 91.1 | Very high | 78.3 | Confident | 2 Ų | 2 | 72.1 Ų | 72.1 | 1% | 0.014 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 148 | -173.1 | -173.5 | 0 | 0 | 0 | 0 | 110.9 | G256 H278 P322 I323 L325 | G256-C340 VanDerWaalsContact CA-SG 3.58Å; H278-C340 HydrophobicContact CB-CB 4.07Å; P322-C340 CarbonylContact C-O 3.2Å; P322-C340 WeakPolarHBondContact CA-O 2.98Å; I323-C340 HydrophobicContact CG2-CB 4.39Å; I323-C340 WeakPolarHBondContact CG2-O 3.28Å; I323-C340 PolarHBondContact N-O 3.07Å; I323-C340 PolarHBondContact O-N 2.89Å; I323-C340 VanDerWaalsContact O-N 3.12Å; L325-C340 HydrophobicContact CD1-CB 3.48Å; L325-C340 VanDerWaalsContact CD1-CB 3.48Å; L325-C340 HydrophobicContact CG-CB 4.29Å |
| 341 | V | 94.6 | Very high | 80.2 | Confident | 50 Ų | 50 | 65.6 Ų | 65.6 | 30% | 0.303 | 39% | 0.394 | S | S | . | . | trans | -104.4 | 140.2 | 171.8 | 179.1 | 0 | 0 | 0 | 0 | 108.6 | G256 S319 P322 T343 | G256-V341 WeakPolarHBondContact CA-O 3.17Å; S319-V341 VanDerWaalsContact C-CG1 3.47Å; S319-V341 WeakPolarHBondContact O-CG1 3.27Å; P322-V341 HydrophobicContact CB-CG2 4.08Å; V341-T343 HydrophobicContact CB-CG2 4.47Å; V341-T343 HydrophobicContact CG1-CG2 4.41Å; V341-T343 PolarHBondContact O-N 3.49Å; V341-T343 VanDerWaalsContact O-N 3.12Å | ||
| 342 | L | 95.1 | Very high | 82.2 | Confident | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.021 | 39% | 0.391 | C | S | . | . | trans | -76.9 | 96.5 | 179.2 | -58.7 | -176.8 | 0 | 0 | 0 | 110 | Y258 L274 V276 I315 H318 S319 I323 | Y258-L342 HydrophobicContact CD1-CB 3.71Å; Y258-L342 HydrophobicContact CD1-CD2 4.11Å; Y258-L342 HydrophobicContact CD1-CG 4.39Å; Y258-L342 HydrophobicContact CE1-CB 3.7Å; Y258-L342 HydrophobicContact CG-CB 4.28Å; Y258-L342 HydrophobicContact CG-CD2 3.98Å; L274-L342 HydrophobicContact CD2-CD1 4.12Å; V276-L342 HydrophobicContact CG1-CD2 4.02Å; V276-L342 HydrophobicContact CG2-CD2 3.77Å; I315-L342 HydrophobicContact CD1-CD1 3.76Å; I315-L342 HydrophobicContact CG2-CD1 4.39Å; H318-L342 HydrophobicContact CB-CD1 3.58Å; H318-L342 HydrophobicContact CB-CG 3.86Å; H318-L342 PolarHBondContact O-N 3.39Å; S319-L342 WeakPolarHBondContact CA-O 3.42Å; S319-L342 WeakPolarHBondContact CB-O 3.21Å; I323-L342 HydrophobicContact CG2-CD2 4.36Å | ||
| 343 | T | 94 | Very high | 84.2 | Confident | 81 Ų | 81 | 67.4 Ų | 67.4 | 50% | 0.497 | 39% | 0.385 | S | S | . | . | trans | -101.8 | -37.2 | -172.1 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | D255 G256 V341 | D255-T343 PolarHBondContact O-OG1 3.18Å; D255-T343 VanDerWaalsContact O-OG1 3.13Å; G256-T343 WeakPolarHBondContact CA-OG1 3.27Å; G256-T343 PolarHBondContact O-N 3.5Å; G256-T343 PolarHBondContact O-OG1 3.47Å; V341-T343 HydrophobicContact CB-CG2 4.47Å; V341-T343 HydrophobicContact CG1-CG2 4.41Å; V341-T343 PolarHBondContact O-N 3.49Å; V341-T343 VanDerWaalsContact O-N 3.12Å | ||
| 344 | C | 93.6 | Very high | 86.1 | Confident | 43 Ų | 43 | 65 Ų | 65 | 29% | 0.291 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 100 | -169.1 | -70.7 | 0 | 0 | 0 | 0 | 111.1 | G256 A257 Y258 | G256-C344 PolarHBondContact O-N 3.48Å; G256-C344 VanDerWaalsContact O-N 3.09Å; A257-C344 CarbonylContact C-O 3.59Å; A257-C344 VanDerWaalsContact CA-O 3.24Å; A257-C344 WeakPolarHBondContact CA-O 3.48Å; A257-C344 HydrophobicContact CB-CB 4.18Å; Y258-C344 WeakPolarHBondContact CD1-O 3.2Å; Y258-C344 VanDerWaalsContact CE1-C 3.5Å; Y258-C344 PolarHBondContact N-O 3.44Å |
| 345 | P | 94.9 | Very high | 87.8 | Confident | 61 Ų | 61 | 65.6 Ų | 65.6 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 139.4 | 169.2 | 28.8 | -33.5 | 0 | 0 | 0 | 110 | W235 Y258 | W235-P345 HydrophobicContact CB-CB 3.88Å; Y258-P345 HydrophobicContact CE1-CB 4.2Å; Y258-P345 HydrophobicContact CE2-CB 4.26Å |
| 346 | I | 94.8 | Very high | 88.9 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | trans | -105.4 | 126.8 | 167.5 | -60.3 | -176.7 | 0 | 0 | 0 | 107.7 | L249 V252 A257 Y258 L259 D350 V351 | L249-I346 HydrophobicContact CD2-CD1 3.4Å; L249-I346 HydrophobicContact CD2-CG1 4.43Å; L249-I346 HydrophobicContact CG-CD1 3.91Å; V252-I346 HydrophobicContact CB-CD1 4.09Å; V252-I346 HydrophobicContact CG1-CD1 4.36Å; V252-I346 HydrophobicContact CG2-CD1 3.72Å; V252-I346 HydrophobicContact CG2-CG1 4.43Å; A257-I346 HydrophobicContact CB-CD1 4.19Å; A257-I346 HydrophobicContact CB-CG1 4.43Å; Y258-I346 PolarHBondContact O-N 3.26Å; L259-I346 HydrophobicContact CB-CB 4.42Å; L259-I346 HydrophobicContact CD2-CB 4.49Å; I346-D350 HydrophobicContact CG2-CB 3.76Å; I346-V351 HydrophobicContact CG2-CG2 3.75Å | ||
| 347 | T | 94 | Very high | 90.5 | Very high | 32 Ų | 32 | 65.1 Ų | 65.1 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | trans | -85.4 | 162.4 | -178.5 | 74.8 | 0 | 0 | 0 | 0 | 113.2 | D234 S349 D350 V351 | D234-T347 HydrophobicContact CB-CG2 4.01Å; D234-T347 VanDerWaalsContact O-CA 3.23Å; D234-T347 WeakPolarHBondContact O-CA 3.36Å; T347-S349 PolarHBondContact O-N 2.81Å; T347-S349 PolarHBondContact OG1-N 2.87Å; T347-D350 WeakPolarHBondContact CA-OD2 3.49Å; T347-D350 VanDerWaalsContact CB-OD2 3.29Å; T347-D350 WeakPolarHBondContact CB-OD2 3.23Å; T347-D350 WeakPolarHBondContact CG2-OD2 3.45Å; T347-D350 PolarHBondContact N-OD2 3.15Å; T347-D350 PolarHBondContact O-N 2.75Å; T347-D350 VanDerWaalsContact O-N 3.12Å; T347-D350 PolarHBondContact OG1-N 2.82Å; T347-D350 VanDerWaalsContact OG1-N 3.17Å; T347-D350 PolarHBondContact OG1-OD2 2.81Å; T347-V351 WeakPolarHBondContact O-CG2 3.41Å; T347-V351 PolarHBondContact O-N 3.06Å | ||
| 348 | K | 92.2 | Very high | 91.6 | Very high | 128 Ų | 128 | 64.5 Ų | 64.5 | 56% | 0.557 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -54.6 | -38.7 | 171.8 | -174.2 | 177.5 | 179.5 | -178.8 | 0 | 112.3 | V237 V352 | V237-K348 HydrophobicContact CG1-CB 4.38Å; V237-K348 HydrophobicContact CG1-CG 4.19Å; K348-V352 WeakPolarHBondContact O-CG2 3.32Å; K348-V352 PolarHBondContact O-N 3.15Å |
| 349 | S | 91.9 | Very high | 92.1 | Very high | 88 Ų | 88 | 66.8 Ų | 66.8 | 62% | 0.615 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.7 | -43 | 176.8 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | T347 V352 Q353 | T347-S349 PolarHBondContact O-N 2.81Å; T347-S349 PolarHBondContact OG1-N 2.87Å; S349-V352 PolarHBondContact O-N 2.85Å; S349-Q353 WeakPolarHBondContact O-CB 3.49Å; S349-Q353 PolarHBondContact O-N 3.23Å |
| 350 | D | 92.2 | Very high | 92.2 | Very high | 58 Ų | 58 | 65.4 Ų | 65.4 | 31% | 0.31 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 177 | -57.3 | -49.9 | 0 | 0 | 0 | 111.2 | I346 T347 V352 Q353 L354 | I346-D350 HydrophobicContact CG2-CB 3.76Å; T347-D350 WeakPolarHBondContact CA-OD2 3.49Å; T347-D350 VanDerWaalsContact CB-OD2 3.29Å; T347-D350 WeakPolarHBondContact CB-OD2 3.23Å; T347-D350 WeakPolarHBondContact CG2-OD2 3.45Å; T347-D350 PolarHBondContact N-OD2 3.15Å; T347-D350 PolarHBondContact O-N 2.75Å; T347-D350 VanDerWaalsContact O-N 3.12Å; T347-D350 PolarHBondContact OG1-N 2.82Å; T347-D350 VanDerWaalsContact OG1-N 3.17Å; T347-D350 PolarHBondContact OG1-OD2 2.81Å; D350-V352 VanDerWaalsContact C-N 3.31Å; D350-V352 PolarHBondContact O-N 2.83Å; D350-Q353 PolarHBondContact O-N 2.73Å; D350-L354 HydrophobicContact CB-CD1 4.45Å; D350-L354 WeakPolarHBondContact O-CB 3.48Å; D350-L354 WeakPolarHBondContact O-CD1 3.43Å; D350-L354 WeakPolarHBondContact O-CG 3.35Å; D350-L354 PolarHBondContact O-N 3.07Å |
| 351 | V | 92.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 69.4 Ų | 69.4 | 4% | 0.036 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58 | -44 | 176.7 | 175 | 0 | 0 | 0 | 0 | 111 | V237 A248 L259 I346 T347 L355 | V237-V351 HydrophobicContact CG1-CB 4.41Å; V237-V351 HydrophobicContact CG1-CG1 4.46Å; V237-V351 HydrophobicContact CG1-CG2 4.28Å; V237-V351 HydrophobicContact CG2-CG2 4.05Å; A248-V351 HydrophobicContact CB-CB 4.5Å; A248-V351 HydrophobicContact CB-CG1 4.23Å; A248-V351 HydrophobicContact CB-CG2 4.22Å; L259-V351 HydrophobicContact CD2-CG2 4.02Å; I346-V351 HydrophobicContact CG2-CG2 3.75Å; T347-V351 WeakPolarHBondContact O-CG2 3.41Å; T347-V351 PolarHBondContact O-N 3.06Å; V351-L355 HydrophobicContact CG1-CD1 3.73Å; V351-L355 WeakPolarHBondContact O-CB 3.31Å; V351-L355 WeakPolarHBondContact O-CD1 3.38Å; V351-L355 WeakPolarHBondContact O-CG 3.35Å; V351-L355 PolarHBondContact O-N 2.99Å |
| 352 | V | 91.4 | Very high | 92.1 | Very high | 80 Ų | 80 | 70.7 Ų | 70.7 | 49% | 0.485 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 177.1 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | K348 S349 D350 L354 L355 Q356 | K348-V352 WeakPolarHBondContact O-CG2 3.32Å; K348-V352 PolarHBondContact O-N 3.15Å; S349-V352 PolarHBondContact O-N 2.85Å; D350-V352 VanDerWaalsContact C-N 3.31Å; D350-V352 PolarHBondContact O-N 2.83Å; V352-L354 PolarHBondContact O-N 2.88Å; V352-L355 PolarHBondContact O-N 3.11Å; V352-Q356 WeakPolarHBondContact O-CG 3.47Å |
| 353 | Q | 93 | Very high | 91.9 | Very high | 142 Ų | 142 | 75.4 Ų | 75.4 | 66% | 0.664 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -68.4 | -32.5 | -179.7 | -175 | 176.1 | 1.8 | 0 | 0 | 113.1 | S349 D350 | S349-Q353 WeakPolarHBondContact O-CB 3.49Å; S349-Q353 PolarHBondContact O-N 3.23Å; D350-Q353 PolarHBondContact O-N 2.73Å |
| 354 | L | 91.7 | Very high | 91.8 | Very high | 53 Ų | 53 | 75 Ų | 75 | 28% | 0.277 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -78.2 | -18.8 | 179.2 | -70 | 163.3 | 0 | 0 | 0 | 113.3 | A248 L251 V252 D350 V352 | A248-L354 HydrophobicContact CB-CB 4.49Å; A248-L354 HydrophobicContact CB-CD1 4.25Å; L251-L354 HydrophobicContact CB-CD2 4.19Å; L251-L354 HydrophobicContact CD1-CB 4.13Å; L251-L354 WeakPolarHBondContact CD1-O 3.47Å; V252-L354 HydrophobicContact CG2-CD1 3.46Å; V252-L354 VanDerWaalsContact CG2-CD1 3.46Å; V252-L354 HydrophobicContact CG2-CD2 4.44Å; D350-L354 HydrophobicContact CB-CD1 4.45Å; D350-L354 WeakPolarHBondContact O-CB 3.48Å; D350-L354 WeakPolarHBondContact O-CD1 3.43Å; D350-L354 WeakPolarHBondContact O-CG 3.35Å; D350-L354 PolarHBondContact O-N 3.07Å; V352-L354 PolarHBondContact O-N 2.88Å |
| 355 | L | 89.2 | Confident | 91.6 | Very high | 66 Ų | 66 | 77.7 Ų | 77.7 | 35% | 0.346 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 9.1 | -176.2 | -63.4 | 173.9 | 0 | 0 | 0 | 113.4 | D244 H247 V351 V352 | D244-L355 HydrophobicContact CB-CD1 3.77Å; H247-L355 HydrophobicContact CB-CD2 4.14Å; H247-L355 WeakPolarHBondContact ND1-CD2 3.4Å; V351-L355 HydrophobicContact CG1-CD1 3.73Å; V351-L355 WeakPolarHBondContact O-CB 3.31Å; V351-L355 WeakPolarHBondContact O-CD1 3.38Å; V351-L355 WeakPolarHBondContact O-CG 3.35Å; V351-L355 PolarHBondContact O-N 2.99Å; V352-L355 PolarHBondContact O-N 3.11Å |
| 356 | Q | 81.8 | Confident | 91.3 | Very high | 212 Ų | 212 | 79.2 Ų | 79.2 | 99% | 0.991 | 41% | 0.41 | S | S | * | . | trans | -92.2 | 0 | 168.9 | -74.1 | 177 | 9.4 | 0 | 0 | 111.2 | V352 | V352-Q356 WeakPolarHBondContact O-CG 3.47Š|
Retrieved 356 of 356 residues in 655.5 ms
(Link to these results)