| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.1 | Very low | 37.3 | Very low | 218 Ų | 218 | 149.4 Ų | 149.4 | 100% | 1.074 | 81% | 0.807 | S | S | * | * | 0 | 113.5 | 0 | -70.8 | 76 | 171.2 | 0 | 0 | 107.9 | |||||
| 2 | D | 36.4 | Very low | 37 | Very low | 128 Ų | 128 | 150.1 Ų | 150.1 | 68% | 0.684 | 81% | 0.81 | S | S | * | * | 87.9 | 132.2 | 94.8 | -72.2 | -99.9 | 0 | 0 | 0 | 110.7 | |||||
| 3 | H | 36.5 | Very low | 36.8 | Very low | 152 Ų | 152 | 147.2 Ų | 147.2 | 70% | 0.704 | 81% | 0.808 | S | S | * | * | cis | -163.3 | 150.1 | -1.9 | -131 | 68.4 | 0 | 0 | 0 | 109.4 | ||||
| 4 | T | 38.7 | Very low | 36.7 | Very low | 107 Ų | 107 | 146.1 Ų | 146.1 | 66% | 0.656 | 82% | 0.817 | S | S | * | * | trans | 56.3 | 132 | 134.4 | -63.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 5 | D | 38.8 | Very low | 36.4 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 78% | 0.775 | 82% | 0.817 | S | S | * | * | cis | -165.3 | -176 | -4.9 | -134 | -81.9 | 0 | 0 | 0 | 111.8 | ||||
| 6 | N | 37.9 | Very low | 36.2 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | trans | 78.6 | 74.6 | 162.2 | -163.7 | 62.6 | 0 | 0 | 0 | 117.6 | ||||
| 7 | E | 34.2 | Very low | 36.2 | Very low | 183 Ų | 183 | 141.5 Ų | 141.5 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | -121.5 | 147.6 | 148.9 | -95.2 | -147.3 | 95.5 | 0 | 0 | 113.2 | ||||
| 8 | L | 46.9 | Very low | 36 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -70.6 | 130.2 | 176.4 | -65.3 | 138.7 | 0 | 0 | 0 | 111.3 | ||||
| 9 | Q | 37.6 | Very low | 36.5 | Very low | 195 Ų | 195 | 134.3 Ų | 134.3 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | 168.6 | 157.8 | 135.8 | -94.7 | 154.6 | 88 | 0 | 0 | 111.3 | ||||
| 10 | G | 31 | Very low | 36.5 | Very low | 74 Ų | 74 | 135.6 Ų | 135.6 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | trans | 149.6 | 62.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 11 | T | 37.4 | Very low | 37.1 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -70.5 | 128.5 | 165.1 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 12 | N | 33.2 | Very low | 37.3 | Very low | 158 Ų | 158 | 132.1 Ų | 132.1 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | -131.2 | 141.1 | 154.3 | 63.1 | 3.7 | 0 | 0 | 0 | 111.1 | ||||
| 13 | S | 34.8 | Very low | 37.6 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -105.4 | 135.5 | -159 | -48.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 14 | S | 35.9 | Very low | 38.2 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | trans | -173.4 | 126.1 | 148.5 | -84.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 15 | G | 31.5 | Very low | 38.5 | Very low | 80 Ų | 80 | 147 Ų | 147 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | 135.2 | 93.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 16 | S | 34 | Very low | 39.1 | Very low | 110 Ų | 110 | 147.1 Ų | 147.1 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | trans | -71.2 | 135.1 | 177.8 | -91.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 17 | L | 35.2 | Very low | 39.2 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 89% | 0.885 | 83% | 0.825 | S | S | * | * | trans | 61.1 | 132.1 | 131.1 | -56.5 | 171.2 | 0 | 0 | 0 | 120.9 | ||||
| 18 | G | 32.5 | Very low | 39.8 | Very low | 65 Ų | 65 | 143.8 Ų | 143.8 | 67% | 0.67 | 82% | 0.819 | S | S | * | * | trans | 109 | 104.2 | 145.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 19 | G | 45.3 | Very low | 40 | Very low | 81 Ų | 81 | 145.2 Ų | 145.2 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | -66.5 | 134.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 20 | L | 37.6 | Very low | 40.3 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -109.2 | 122.7 | -176.2 | -71.6 | 173.9 | 0 | 0 | 0 | 112.6 | V22 | L20-V22 PolarHBondContact O-N 3.47Š| ||
| 21 | D | 48.1 | Very low | 40.8 | Very low | 154 Ų | 154 | 147.4 Ų | 147.4 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -50.4 | 123.9 | 166.4 | -78.3 | -95.2 | 0 | 0 | 0 | 113.2 | ||||
| 22 | V | 39.1 | Very low | 40.8 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | trans | -116.5 | 66.5 | 164.6 | -171.8 | 0 | 0 | 0 | 0 | 110.5 | L20 R24 | L20-V22 PolarHBondContact O-N 3.47Å; V22-R24 PolarHBondContact O-N 3.48Å | ||
| 23 | R | 43.9 | Very low | 41.4 | Very low | 224 Ų | 224 | 147.4 Ų | 147.4 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | trans | -65.9 | 97.4 | 165.3 | -168.1 | 172 | -179.5 | -179.3 | 0.1 | 108.5 | R25 | R23-R25 PolarHBondContact O-N 3.47Å; R23-R25 VanDerWaalsContact O-N 3.17Å | ||
| 24 | R | 48.6 | Very low | 41.5 | Very low | 232 Ų | 232 | 150.5 Ų | 150.5 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 121.2 | -177 | -74.2 | -168.8 | -174.2 | 91.7 | 2.4 | 110.9 | V22 | V22-R24 PolarHBondContact O-N 3.48Š|
| 25 | R | 44.7 | Very low | 41.7 | Very low | 243 Ų | 243 | 149.1 Ų | 149.1 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 118.3 | -177.5 | -56.6 | 179.6 | -170.4 | -141.5 | 1.4 | 109.5 | R23 | R23-R25 PolarHBondContact O-N 3.47Å; R23-R25 VanDerWaalsContact O-N 3.17Å |
| 26 | I | 51.3 | Low | 41.8 | Very low | 148 Ų | 148 | 152.4 Ų | 152.4 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 121.8 | 163.6 | -58.1 | 172.5 | 0 | 0 | 0 | 106.8 | I28 | I26-I28 PolarHBondContact O-N 3.12Š|
| 27 | P | 40.6 | Very low | 42.3 | Very low | 116 Ų | 116 | 157 Ų | 157 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | -74.2 | 96.3 | 176.8 | 29.1 | -32.9 | 0 | 0 | 0 | 110.5 | K29 | P27-K29 PolarHBondContact O-N 3.41Š| ||
| 28 | I | 47.3 | Very low | 42.3 | Very low | 144 Ų | 144 | 153.1 Ų | 153.1 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | trans | -73.3 | 104.5 | 168.4 | -58 | 175.5 | 0 | 0 | 0 | 107.8 | I26 L30 | I26-I28 PolarHBondContact O-N 3.12Å; I28-L30 PolarHBondContact O-N 3.49Å | ||
| 29 | K | 50.5 | Low | 42.8 | Very low | 182 Ų | 182 | 159.7 Ų | 159.7 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -73.9 | 117.1 | 165.8 | -72.4 | -162.8 | 174.9 | -172.6 | 0 | 109.1 | P27 I31 | P27-K29 PolarHBondContact O-N 3.41Å; K29-I31 HydrophobicContact CB-CD1 4.41Å; K29-I31 PolarHBondContact O-N 2.97Å | ||
| 30 | L | 43.8 | Very low | 42.3 | Very low | 163 Ų | 163 | 161.9 Ų | 161.9 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | trans | -64.2 | 117.6 | 163 | -85.8 | 79.6 | 0 | 0 | 0 | 108.6 | I28 | I28-L30 PolarHBondContact O-N 3.49Š| ||
| 31 | I | 41.7 | Very low | 42.3 | Very low | 151 Ų | 151 | 158.4 Ų | 158.4 | 77% | 0.774 | 81% | 0.81 | S | S | * | * | trans | -84.6 | 109.4 | 158 | -77.1 | 65 | 0 | 0 | 0 | 106.2 | K29 | K29-I31 HydrophobicContact CB-CD1 4.41Å; K29-I31 PolarHBondContact O-N 2.97Å | ||
| 32 | S | 36.8 | Very low | 41.7 | Very low | 96 Ų | 96 | 157.5 Ų | 157.5 | 67% | 0.671 | 81% | 0.812 | S | S | * | * | trans | -67 | 142.7 | 171.3 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | Q34 | S32-Q34 PolarHBondContact O-N 3.46Š| ||
| 33 | K | 46.3 | Very low | 41.4 | Very low | 206 Ų | 206 | 162.9 Ų | 162.9 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | trans | -71.6 | 105.8 | 173.5 | -69 | 176.6 | 179 | 176.5 | 0 | 109.6 | ||||
| 34 | Q | 37.4 | Very low | 41 | Very low | 176 Ų | 176 | 158.7 Ų | 158.7 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -96.9 | 122.8 | 159.5 | -69.3 | -170.5 | 7.3 | 0 | 0 | 109.7 | S32 N36 | S32-Q34 PolarHBondContact O-N 3.46Å; Q34-N36 PolarHBondContact O-N 3.34Å | ||
| 35 | A | 40 | Very low | 40.3 | Very low | 105 Ų | 105 | 156.5 Ų | 156.5 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | trans | -78.8 | 100.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | K37 | A35-K37 PolarHBondContact O-N 3.32Š| ||
| 36 | N | 33.2 | Very low | 39.6 | Very low | 149 Ų | 149 | 156.3 Ų | 156.3 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | -87.6 | 103.4 | -178.2 | -150.2 | -25.6 | 0 | 0 | 0 | 110.8 | Q34 A38 | Q34-N36 PolarHBondContact O-N 3.34Å; N36-A38 PolarHBondContact O-N 2.88Å; N36-A38 VanDerWaalsContact O-N 3.08Å | ||
| 37 | K | 45.3 | Very low | 38.8 | Very low | 206 Ų | 206 | 155.2 Ų | 155.2 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | trans | -76.3 | 85.5 | 174.7 | -82.5 | -175.7 | 171.4 | 179.7 | 0 | 110.5 | A35 | A35-K37 PolarHBondContact O-N 3.32Š| ||
| 38 | A | 34.8 | Very low | 38.5 | Very low | 88 Ų | 88 | 157.3 Ų | 157.3 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 117.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111 | N36 | N36-A38 PolarHBondContact O-N 2.88Å; N36-A38 VanDerWaalsContact O-N 3.08Å |
| 39 | K | 42.6 | Very low | 37.9 | Very low | 203 Ų | 203 | 157 Ų | 157 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 134 | 168.1 | -69.9 | 176.5 | 176.3 | 177.1 | 0 | 109.5 | ||
| 40 | P | 35.4 | Very low | 37 | Very low | 126 Ų | 126 | 159.7 Ų | 159.7 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -76 | 142.5 | 162.6 | 30.9 | -31.7 | 0 | 0 | 0 | 110.8 | ||
| 41 | A | 38 | Very low | 36.5 | Very low | 88 Ų | 88 | 159.8 Ų | 159.8 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 153.2 | 170 | 0 | 0 | 0 | 0 | 0 | 111 | R43 | A41-R43 PolarHBondContact O-N 3.07Š|
| 42 | P | 34.4 | Very low | 36.1 | Very low | 135 Ų | 135 | 158.4 Ų | 158.4 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 120.6 | -175.2 | 28.7 | -34 | 0 | 0 | 0 | 111.3 | ||
| 43 | R | 32.9 | Very low | 35.9 | Very low | 240 Ų | 240 | 159 Ų | 159 | 91% | 0.906 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 127.5 | 170.3 | -170.4 | 173.5 | -177.7 | 168.8 | 1 | 109.7 | A41 Q45 | A41-R43 PolarHBondContact O-N 3.07Å; R43-Q45 PolarHBondContact O-N 2.83Å |
| 44 | T | 36.2 | Very low | 35.1 | Very low | 135 Ų | 135 | 159.1 Ų | 159.1 | 83% | 0.828 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 128.5 | -175.7 | -25.8 | 0 | 0 | 0 | 0 | 112.4 | R46 | T44-R46 PolarHBondContact O-N 3.41Š|
| 45 | Q | 32.6 | Very low | 35 | Very low | 187 Ų | 187 | 154.8 Ų | 154.8 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -68 | 129.3 | 170.7 | -80.3 | 179.9 | -42.5 | 0 | 0 | 110.1 | R43 | R43-Q45 PolarHBondContact O-N 2.83Š|
| 46 | R | 31.3 | Very low | 35 | Very low | 238 Ų | 238 | 155.7 Ų | 155.7 | 90% | 0.898 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 119.5 | 163.8 | -102.7 | -179.1 | 168 | 175.9 | -4.9 | 108.5 | T44 I48 | T44-R46 PolarHBondContact O-N 3.41Å; R46-I48 PolarHBondContact O-N 3Å |
| 47 | T | 32.9 | Very low | 35.3 | Very low | 126 Ų | 126 | 155 Ų | 155 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 128.9 | 174.7 | -32 | 0 | 0 | 0 | 0 | 110.3 | N49 | T47-N49 WeakPolarHBondContact CG2-OD1 3.47Š|
| 48 | I | 36 | Very low | 34.6 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 82% | 0.815 | 82% | 0.819 | S | S | * | * | trans | -111.8 | 96.4 | 173.7 | -38.5 | 175.1 | 0 | 0 | 0 | 107.7 | R46 R50 | R46-I48 PolarHBondContact O-N 3Å; I48-R50 PolarHBondContact O-N 3.22Å | ||
| 49 | N | 33.9 | Very low | 34.5 | Very low | 139 Ų | 139 | 150.6 Ų | 150.6 | 74% | 0.743 | 82% | 0.82 | S | S | * | * | trans | -75 | 119.8 | 174.7 | -69.9 | 11.1 | 0 | 0 | 0 | 109.2 | T47 | T47-N49 WeakPolarHBondContact CG2-OD1 3.47Š| ||
| 50 | R | 31.3 | Very low | 34.3 | Very low | 238 Ų | 238 | 148.2 Ų | 148.2 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | trans | -130.1 | 116.5 | 162.2 | -178.6 | 172.4 | -86.4 | -131.8 | -1.3 | 108.9 | I48 | I48-R50 PolarHBondContact O-N 3.22Š| ||
| 51 | M | 33.2 | Very low | 34.4 | Very low | 165 Ų | 165 | 151.6 Ų | 151.6 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 150 | -178.8 | -62.6 | -64.3 | -163.5 | 0 | 0 | 111.7 | ||
| 52 | P | 34.2 | Very low | 34.3 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 142.8 | 171.8 | 33.4 | -33 | 0 | 0 | 0 | 111.7 | ||
| 53 | A | 32.1 | Very low | 34.1 | Very low | 109 Ų | 109 | 153.8 Ų | 153.8 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 139.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 54 | K | 30.3 | Very low | 34.3 | Very low | 207 Ų | 207 | 149.1 Ų | 149.1 | 90% | 0.9 | 81% | 0.808 | S | S | * | * | trans | -112.8 | 132.7 | -178.8 | -172.7 | -179 | -178 | -176.3 | 0 | 109.5 | ||||
| 55 | A | 34.4 | Very low | 34.1 | Very low | 86 Ų | 86 | 153 Ų | 153 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | -117.9 | 158.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 56 | P | 40.9 | Very low | 34.3 | Very low | 124 Ų | 124 | 150.6 Ų | 150.6 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | trans | -83.3 | 169.5 | -162.6 | 34 | -36.2 | 0 | 0 | 0 | 114.3 | ||||
| 57 | P | 38.4 | Very low | 34.3 | Very low | 135 Ų | 135 | 147.7 Ų | 147.7 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -95.8 | 158.9 | -168.2 | 38.5 | -35.6 | 0 | 0 | 0 | 114.2 | ||||
| 58 | G | 31.9 | Very low | 34.5 | Very low | 62 Ų | 62 | 150.4 Ų | 150.4 | 64% | 0.639 | 80% | 0.802 | S | S | * | * | trans | 159.8 | 146.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 59 | D | 32.4 | Very low | 34.3 | Very low | 138 Ų | 138 | 149.5 Ų | 149.5 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | cis | -176.6 | 163.5 | -15.7 | 41.3 | -65.8 | 0 | 0 | 0 | 104.4 | ||||
| 60 | E | 38.7 | Very low | 34.6 | Very low | 153 Ų | 153 | 151.6 Ų | 151.6 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | trans | 23.6 | 135.6 | 174.3 | 18.6 | -97.3 | 66 | 0 | 0 | 124.3 | ||||
| 61 | E | 35.9 | Very low | 34.6 | Very low | 197 Ų | 197 | 151.2 Ų | 151.2 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | 65.6 | 138.6 | 149.9 | -60.2 | 176 | 137.7 | 0 | 0 | 118.9 | ||||
| 62 | G | 36.3 | Very low | 34.5 | Very low | 63 Ų | 63 | 148.6 Ų | 148.6 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | cis | 141.3 | 36.1 | 7.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 63 | F | 30.1 | Very low | 34.8 | Very low | 207 Ų | 207 | 148.9 Ų | 148.9 | 91% | 0.908 | 79% | 0.785 | S | S | * | * | trans | -138 | 125.5 | 174.4 | -95 | -83.4 | 0 | 0 | 0 | 113.2 | ||||
| 64 | D | 37 | Very low | 35.3 | Very low | 142 Ų | 142 | 152.4 Ų | 152.4 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | -89.2 | 128.6 | 169 | 178.5 | 17.5 | 0 | 0 | 0 | 109 | ||||
| 65 | Y | 32.2 | Very low | 35.2 | Very low | 215 Ų | 215 | 146.4 Ų | 146.4 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -152.6 | 108.6 | 159.9 | -117.6 | -80 | 0 | 0 | 0 | 110.3 | ||||
| 66 | N | 38 | Very low | 35.1 | Very low | 138 Ų | 138 | 146 Ų | 146 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | -86.6 | 122.5 | 164.3 | 179.7 | -62 | 0 | 0 | 0 | 108.6 | ||||
| 67 | E | 29.9 | Very low | 35.3 | Very low | 176 Ų | 176 | 148.6 Ų | 148.6 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -155.6 | 141.2 | 144.4 | -161.1 | 155.2 | 89.1 | 0 | 0 | 111.9 | ||||
| 68 | E | 37.4 | Very low | 35.6 | Very low | 184 Ų | 184 | 150.4 Ų | 150.4 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -99.2 | 105.2 | 179 | 174.2 | -175 | 148.1 | 0 | 0 | 109.8 | ||||
| 69 | E | 32.2 | Very low | 36.1 | Very low | 140 Ų | 140 | 157.4 Ų | 157.4 | 65% | 0.654 | 80% | 0.797 | S | S | * | * | trans | -156.5 | 154.1 | 159.1 | -125.8 | -156.5 | 108.1 | 0 | 0 | 115.3 | ||||
| 70 | R | 39.3 | Very low | 36 | Very low | 183 Ų | 183 | 154.1 Ų | 154.1 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | 56.8 | 104.9 | 166.2 | -73.4 | -178.4 | 169 | 91.4 | 0.9 | 119.2 | ||||
| 71 | Y | 31.2 | Very low | 36.2 | Very low | 229 Ų | 229 | 155.2 Ų | 155.2 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | -127.2 | 103.9 | 119.9 | -124.4 | -90.5 | 0 | 0 | 0 | 110.4 | C73 | Y71-C73 PolarHBondContact O-N 2.91Š| |||
| 72 | D | 32.6 | Very low | 36.1 | Very low | 111 Ų | 111 | 153.6 Ų | 153.6 | 59% | 0.594 | 80% | 0.799 | S | S | * | * | trans | -83.2 | 108.5 | -177.7 | -165.1 | -38.9 | 0 | 0 | 0 | 110 | K74 | D72-K74 PolarHBondContact O-N 3.48Å; D72-K74 VanDerWaalsContact O-N 3.09Å; D72-K74 VanDerWaalsContact OD1-CB 3.32Å; D72-K74 WeakPolarHBondContact OD1-CB 3.25Å; D72-K74 WeakPolarHBondContact OD1-CG 3.37Å; D72-K74 PolarHBondContact OD1-N 2.86Å | ||
| 73 | C | 39.8 | Very low | 36.5 | Very low | 127 Ų | 127 | 160.5 Ų | 160.5 | 86% | 0.858 | 81% | 0.806 | S | S | * | * | trans | -84.3 | 63.4 | 174.1 | -77.6 | 0 | 0 | 0 | 0 | 111.6 | Y71 | Y71-C73 PolarHBondContact O-N 2.91Š| ||
| 74 | K | 41.7 | Very low | 37.3 | Very low | 184 Ų | 184 | 161.4 Ų | 161.4 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | trans | -119.8 | 95.1 | 166.9 | -77.8 | -176.9 | 173.8 | -178.1 | 0 | 112.1 | D72 | D72-K74 PolarHBondContact O-N 3.48Å; D72-K74 VanDerWaalsContact O-N 3.09Å; D72-K74 VanDerWaalsContact OD1-CB 3.32Å; D72-K74 WeakPolarHBondContact OD1-CB 3.25Å; D72-K74 WeakPolarHBondContact OD1-CG 3.37Å; D72-K74 PolarHBondContact OD1-N 2.86Å | ||
| 75 | G | 29.7 | Very low | 37.2 | Very low | 80 Ų | 80 | 162.5 Ų | 162.5 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -115.1 | 107.9 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 76 | G | 31.1 | Very low | 37.8 | Very low | 79 Ų | 79 | 157.8 Ų | 157.8 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | -75.8 | 167.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 77 | E | 44.8 | Very low | 37.7 | Very low | 177 Ų | 177 | 154.5 Ų | 154.5 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -60.1 | 129.7 | 173.5 | -67.2 | 166.2 | 95.3 | 0 | 0 | 112.5 | ||||
| 78 | L | 45.8 | Very low | 38.2 | Very low | 174 Ų | 174 | 153 Ų | 153 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | trans | -143.1 | 141.8 | 141.7 | -76.3 | -175.6 | 0 | 0 | 0 | 109.3 | ||||
| 79 | F | 41.8 | Very low | 38.6 | Very low | 209 Ų | 209 | 149.7 Ų | 149.7 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | trans | -70.5 | 141.6 | -171.6 | -79.5 | -113.8 | 0 | 0 | 0 | 113 | ||||
| 80 | G | 31.5 | Very low | 39 | Very low | 69 Ų | 69 | 149.7 Ų | 149.7 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | -176.8 | 114.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q82 | G80-Q82 PolarHBondContact O-N 3.45Š| ||
| 81 | N | 41.2 | Very low | 39.9 | Very low | 176 Ų | 176 | 148.9 Ų | 148.9 | 94% | 0.941 | 77% | 0.771 | S | S | * | * | trans | -71 | 83.9 | -178.2 | -77.5 | -69.4 | 0 | 0 | 0 | 112.9 | ||||
| 82 | Q | 34.9 | Very low | 40.7 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | -144.5 | 107.2 | 160.1 | -156.3 | 148.4 | 92.2 | 0 | 0 | 112.2 | G80 R84 | G80-Q82 PolarHBondContact O-N 3.45Å; Q82-R84 VanDerWaalsContact C-N 3.29Å; Q82-R84 PolarHBondContact O-N 3.09Å | ||
| 83 | R | 45.4 | Very low | 41.6 | Very low | 208 Ų | 208 | 142.2 Ų | 142.2 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | -65.6 | 89.1 | 168 | -65.4 | -174 | -169 | -93.2 | 2.9 | 108.8 | F85 | R83-F85 VanDerWaalsContact C-N 3.28Å; R83-F85 HydrophobicContact CB-CD2 4.39Å; R83-F85 HydrophobicContact CB-CE2 4.15Å; R83-F85 WeakPolarHBondContact O-CD2 3.47Å; R83-F85 PolarHBondContact O-N 2.76Å | ||
| 84 | R | 44.9 | Very low | 41.9 | Very low | 225 Ų | 225 | 144.2 Ų | 144.2 | 85% | 0.849 | 74% | 0.744 | S | S | * | * | trans | -68 | 95.2 | 158 | -75.1 | -161.5 | 178.6 | -170.4 | 2.8 | 107.3 | Q82 P86 | Q82-R84 VanDerWaalsContact C-N 3.29Å; Q82-R84 PolarHBondContact O-N 3.09Å; R84-P86 VanDerWaalsContact O-CD 3.24Å; R84-P86 WeakPolarHBondContact O-CD 3.49Å | ||
| 85 | F | 35 | Very low | 42.5 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 73% | 0.728 | 73% | 0.726 | S | S | * | * | trans | -56.3 | 118.1 | 171.2 | -71.5 | -91.9 | 0 | 0 | 0 | 108.8 | R83 G87 | R83-F85 VanDerWaalsContact C-N 3.28Å; R83-F85 HydrophobicContact CB-CD2 4.39Å; R83-F85 HydrophobicContact CB-CE2 4.15Å; R83-F85 WeakPolarHBondContact O-CD2 3.47Å; R83-F85 PolarHBondContact O-N 2.76Å; F85-G87 PolarHBondContact O-N 3.3Å | ||
| 86 | P | 45.8 | Very low | 43.7 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 75% | 0.747 | 70% | 0.701 | S | S | * | * | trans | -61.4 | 135.8 | 165.7 | -16.9 | 32.1 | 0 | 0 | 0 | 108 | R84 | R84-P86 VanDerWaalsContact O-CD 3.24Å; R84-P86 WeakPolarHBondContact O-CD 3.49Å | ||
| 87 | G | 35.8 | Very low | 45.2 | Very low | 69 Ų | 69 | 141.9 Ų | 141.9 | 71% | 0.711 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -40.2 | 133.5 | -158.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | F85 L89 | F85-G87 PolarHBondContact O-N 3.3Å; G87-L89 PolarHBondContact O-N 3.14Å |
| 88 | H | 41.5 | Very low | 45.5 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 68% | 0.676 | 70% | 0.701 | S | S | * | * | trans | 26 | 69.9 | 156.1 | -162.7 | -75.3 | 0 | 0 | 0 | 115.5 | F90 | H88-F90 VanDerWaalsContact C-N 3.33Å; H88-F90 AromaticContact CE1-CD2 3.25Å; H88-F90 WeakPolarHBondContact CE1-CD2 3.31Å; H88-F90 AromaticContact CE1-CE2 3.53Å; H88-F90 AromaticContact CE1-CG 3.84Å; H88-F90 AromaticContact ND1-CD2 3.37Å; H88-F90 WeakPolarHBondContact ND1-CD2 3.32Å; H88-F90 AromaticContact ND1-CE2 4Å; H88-F90 PolarHBondContact O-N 2.8Å | ||
| 89 | L | 45.5 | Very low | 45.5 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 59% | 0.592 | 70% | 0.698 | S | S | * | * | trans | -61.5 | 100 | 164 | -75.4 | 168.7 | 0 | 0 | 0 | 107.9 | G87 W91 L114 | G87-L89 PolarHBondContact O-N 3.14Å; L89-W91 PolarHBondContact O-N 2.81Å; L89-L114 HydrophobicContact CD1-CD1 3.83Å; L89-L114 HydrophobicContact CD1-CD2 4.15Å | ||
| 90 | F | 40.3 | Very low | 46.1 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 62% | 0.618 | 68% | 0.684 | S | S | * | * | trans | -57.7 | 128.2 | -177.6 | -136.5 | -82.4 | 0 | 0 | 0 | 109 | H88 D92 | H88-F90 VanDerWaalsContact C-N 3.33Å; H88-F90 AromaticContact CE1-CD2 3.25Å; H88-F90 WeakPolarHBondContact CE1-CD2 3.31Å; H88-F90 AromaticContact CE1-CE2 3.53Å; H88-F90 AromaticContact CE1-CG 3.84Å; H88-F90 AromaticContact ND1-CD2 3.37Å; H88-F90 WeakPolarHBondContact ND1-CD2 3.32Å; H88-F90 AromaticContact ND1-CE2 4Å; H88-F90 PolarHBondContact O-N 2.8Å; F90-D92 WeakPolarHBondContact CB-OD1 3.24Å; F90-D92 WeakPolarHBondContact CD1-OD1 3.5Å; F90-D92 PolarHBondContact O-N 2.76Å | ||
| 91 | W | 56.8 | Low | 47 | Very low | 165 Ų | 165 | 137.6 Ų | 137.6 | 63% | 0.625 | 68% | 0.683 | S | S | * | * | trans | -84 | 68.1 | -177.6 | -69.2 | 92.6 | 0 | 0 | 0 | 109.6 | L89 F93 I95 P115 | L89-W91 PolarHBondContact O-N 2.81Å; W91-F93 PolarHBondContact O-N 3.41Å; W91-I95 HydrophobicContact CE3-CD1 4.35Å; W91-I95 HydrophobicContact CZ3-CD1 4.41Å; W91-P115 HydrophobicContact CH2-CG 3.74Å; W91-P115 HydrophobicContact CZ3-CG 3.51Å | ||
| 92 | D | 48.9 | Very low | 47.8 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 60% | 0.599 | 65% | 0.654 | S | S | * | * | trans | -67.2 | 13.5 | 178.8 | -32.9 | -60.3 | 0 | 0 | 0 | 113.6 | F90 K117 | F90-D92 WeakPolarHBondContact CB-OD1 3.24Å; F90-D92 WeakPolarHBondContact CD1-OD1 3.5Å; F90-D92 PolarHBondContact O-N 2.76Å; D92-K117 IonicContact OD2-NZ 3.34Å; D92-K117 PolarHBondContact OD2-NZ 3.47Å | ||
| 93 | F | 52.1 | Low | 49 | Very low | 89 Ų | 89 | 130.5 Ų | 130.5 | 39% | 0.39 | 65% | 0.65 | S | S | . | * | S | Bend | trans | -112.9 | 111.4 | -175 | -81.9 | -109.5 | 0 | 0 | 0 | 106.8 | W91 I95 K117 | W91-F93 PolarHBondContact O-N 3.41Å; F93-I95 PolarHBondContact O-N 3.46Å; F93-K117 HydrophobicContact CD1-CG 4.31Å; F93-K117 HydrophobicContact CD2-CD 3.84Å; F93-K117 HydrophobicContact CD2-CG 4.04Å; F93-K117 HydrophobicContact CE1-CB 3.9Å; F93-K117 HydrophobicContact CE1-CD 4.44Å; F93-K117 HydrophobicContact CE1-CG 3.84Å; F93-K117 HydrophobicContact CE2-CB 4.2Å; F93-K117 HydrophobicContact CE2-CD 3.26Å; F93-K117 HydrophobicContact CE2-CG 3.59Å; F93-K117 HydrophobicContact CG-CG 4.42Å; F93-K117 HydrophobicContact CZ-CB 3.59Å; F93-K117 HydrophobicContact CZ-CD 3.61Å; F93-K117 HydrophobicContact CZ-CG 3.47Å; F93-K117 VanDerWaalsContact CZ-CG 3.47Å |
| 94 | Q | 45 | Very low | 50 | Low | 169 Ų | 169 | 122.6 Ų | 122.6 | 79% | 0.79 | 63% | 0.625 | S | S | * | * | trans | -68.6 | 78.1 | 171 | -170.9 | 163.7 | -5.5 | 0 | 0 | 109 | N96 | Q94-N96 PolarHBondContact O-N 3.25Š| ||
| 95 | I | 55.1 | Low | 51.4 | Low | 84 Ų | 84 | 115.7 Ų | 115.7 | 43% | 0.431 | 61% | 0.609 | S | S | . | * | trans | -64 | 121.8 | 158.2 | -55.3 | 170.9 | 0 | 0 | 0 | 104.5 | W91 F93 I97 | W91-I95 HydrophobicContact CE3-CD1 4.35Å; W91-I95 HydrophobicContact CZ3-CD1 4.41Å; F93-I95 PolarHBondContact O-N 3.46Å; I95-I97 HydrophobicContact CB-CG1 4.49Å; I95-I97 VanDerWaalsContact O-CG1 3.31Å; I95-I97 WeakPolarHBondContact O-CG1 3.33Å; I95-I97 PolarHBondContact O-N 3.17Å | ||
| 96 | N | 54.9 | Low | 53.7 | Low | 54 Ų | 54 | 110.7 Ų | 110.7 | 29% | 0.289 | 59% | 0.593 | S | S | . | * | trans | -71 | 85 | 173.2 | -86.9 | -5.6 | 0 | 0 | 0 | 109.4 | Q94 L98 E100 | Q94-N96 PolarHBondContact O-N 3.25Å; N96-L98 PolarHBondContact O-N 3.21Å; N96-E100 HydrophobicContact CB-CB 4.35Å; N96-E100 PolarHBondContact ND2-OE2 2.69Å | ||
| 97 | I | 61.8 | Low | 55.5 | Low | 156 Ų | 156 | 107.2 Ų | 107.2 | 80% | 0.8 | 57% | 0.566 | S | S | * | * | trans | -67.2 | -18.9 | 171.2 | -34.9 | -174.1 | 0 | 0 | 0 | 110.1 | I95 G99 | I95-I97 HydrophobicContact CB-CG1 4.49Å; I95-I97 VanDerWaalsContact O-CG1 3.31Å; I95-I97 WeakPolarHBondContact O-CG1 3.33Å; I95-I97 PolarHBondContact O-N 3.17Å; I97-G99 VanDerWaalsContact C-N 3.33Å; I97-G99 PolarHBondContact O-N 2.94Å; I97-G99 VanDerWaalsContact O-N 3.14Å | ||
| 98 | L | 51.3 | Low | 58 | Low | 163 Ų | 163 | 110.1 Ų | 110.1 | 85% | 0.853 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -85.7 | 54.4 | -177.9 | -60.5 | 176.7 | 0 | 0 | 0 | 113.4 | N96 E100 | N96-L98 PolarHBondContact O-N 3.21Å; L98-E100 PolarHBondContact O-N 2.83Å |
| 99 | G | 45.9 | Very low | 60.4 | Low | 81 Ų | 81 | 103.3 Ų | 103.3 | 84% | 0.835 | 53% | 0.528 | S | S | * | . | S | Bend | trans | 66.9 | -16.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | I97 K101 | I97-G99 VanDerWaalsContact C-N 3.33Å; I97-G99 PolarHBondContact O-N 2.94Å; I97-G99 VanDerWaalsContact O-N 3.14Å; G99-K101 PolarHBondContact O-N 2.98Å |
| 100 | E | 54.6 | Low | 62.4 | Low | 136 Ų | 136 | 102.4 Ų | 102.4 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | trans | -72.6 | 113 | 172 | -173.3 | 178.2 | -169.1 | 0 | 0 | 109.2 | N96 L98 D102 | N96-E100 HydrophobicContact CB-CB 4.35Å; N96-E100 PolarHBondContact ND2-OE2 2.69Å; L98-E100 PolarHBondContact O-N 2.83Å; E100-D102 PolarHBondContact O-N 3.31Å | ||
| 101 | K | 51 | Low | 64.7 | Low | 159 Ų | 159 | 101 Ų | 101 | 69% | 0.691 | 52% | 0.518 | S | S | * | . | trans | -65.3 | 98.9 | 179.7 | 174 | 172.4 | 161.4 | -77.7 | 0 | 109.8 | G99 D103 | G99-K101 PolarHBondContact O-N 2.98Å; K101-D103 IonicContact NZ-OD1 3.52Å; K101-D103 PolarHBondContact NZ-OD1 3.09Å; K101-D103 PolarHBondContact O-N 3.2Å | ||
| 102 | D | 56.8 | Low | 66.2 | Low | 63 Ų | 63 | 95.5 Ų | 95.5 | 34% | 0.337 | 50% | 0.504 | S | S | . | . | trans | -58.1 | 107.8 | 165.9 | -172.8 | -16.6 | 0 | 0 | 0 | 108 | E100 T104 R160 | E100-D102 PolarHBondContact O-N 3.31Å; D102-T104 PolarHBondContact O-N 2.85Å; D102-T104 VanDerWaalsContact O-N 3.12Å; D102-T104 PolarHBondContact OD1-N 2.89Å; D102-T104 VanDerWaalsContact OD1-N 3.09Å; D102-R160 IonicContact OD1-NH1 2.69Å; D102-R160 IonicContact OD2-CZ 3.41Å; D102-R160 VanDerWaalsContact OD2-CZ 3.23Å; D102-R160 IonicContact OD2-NH1 2.83Å; D102-R160 PolarHBondContact OD2-NH1 2.83Å; D102-R160 IonicContact OD2-NH2 3.23Å; D102-R160 PolarHBondContact OD2-NH2 3.19Å | ||
| 103 | D | 60.9 | Low | 68.1 | Low | 126 Ų | 126 | 92.5 Ų | 92.5 | 67% | 0.674 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -64.6 | -14.5 | -176.3 | -84.3 | -38.8 | 0 | 0 | 0 | 112.8 | K101 P105 | K101-D103 IonicContact NZ-OD1 3.52Å; K101-D103 PolarHBondContact NZ-OD1 3.09Å; K101-D103 PolarHBondContact O-N 3.2Å; D103-P105 WeakPolarHBondContact O-CD 3.32Å |
| 104 | T | 66.6 | Low | 69.8 | Low | 43 Ų | 43 | 91.9 Ų | 91.9 | 26% | 0.264 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -96.1 | 109 | 179.3 | -48.4 | 0 | 0 | 0 | 0 | 111.8 | D102 V106 R160 | D102-T104 PolarHBondContact O-N 2.85Å; D102-T104 VanDerWaalsContact O-N 3.12Å; D102-T104 PolarHBondContact OD1-N 2.89Å; D102-T104 VanDerWaalsContact OD1-N 3.09Å; T104-V106 PolarHBondContact O-N 3.47Å; T104-R160 HydrophobicContact CG2-CG 3.41Å; T104-R160 VanDerWaalsContact CG2-CG 3.41Å; T104-R160 PolarHBondContact O-NH1 3.33Å |
| 105 | P | 74.6 | Confident | 71.9 | Confident | 79 Ų | 79 | 85.3 Ų | 85.3 | 51% | 0.513 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 131.7 | -177.6 | 25.3 | -34.7 | 0 | 0 | 0 | 111.6 | D103 H107 | D103-P105 WeakPolarHBondContact O-CD 3.32Å; P105-H107 PolarHBondContact O-N 2.57Å |
| 106 | V | 82.2 | Confident | 73.5 | Confident | 62 Ų | 62 | 81.9 Ų | 81.9 | 38% | 0.376 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 122.4 | 172 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | T104 P115 | T104-V106 PolarHBondContact O-N 3.47Å; V106-P115 HydrophobicContact CG1-CB 3.61Å |
| 107 | H | 85.1 | Confident | 75 | Confident | 42 Ų | 42 | 83.9 Ų | 83.9 | 19% | 0.194 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -102.1 | 141 | 175.1 | -61.4 | -34.1 | 0 | 0 | 0 | 110.5 | P105 I116 Y119 M165 | P105-H107 PolarHBondContact O-N 2.57Å; H107-I116 HydrophobicContact CB-CD1 4.16Å; H107-I116 WeakPolarHBondContact O-CB 3.46Å; H107-I116 WeakPolarHBondContact O-CG1 3.13Å; H107-I116 PolarHBondContact O-N 3.01Å; H107-Y119 HydrophobicContact CB-CE1 3.93Å; H107-Y119 WeakPolarHBondContact CB-OH 3.28Å; H107-Y119 AromaticContact CD2-CE1 3.76Å; H107-Y119 AromaticContact CD2-CZ 3.82Å; H107-Y119 PolarHBondContact CD2-OH 3.33Å; H107-Y119 VanDerWaalsContact CD2-OH 3.23Å; H107-M165 VanDerWaalsContact CD2-CE 3.41Å; H107-M165 WeakPolarHBondContact CD2-CE 3.29Å |
| 108 | F | 88.2 | Confident | 76.3 | Confident | 129 Ų | 129 | 79.8 Ų | 79.8 | 57% | 0.566 | 44% | 0.439 | S | S | * | . | B | Isolated β-bridge | trans | -93.6 | 143.2 | 174.5 | -63.6 | -90.6 | 0 | 0 | 0 | 110.2 | P115 | F108-P115 HydrophobicContact CD1-CB 4.14Å; F108-P115 HydrophobicContact CE1-CB 4.01Å; F108-P115 HydrophobicContact CE1-CG 4.28Å |
| 109 | C | 90.4 | Very high | 78.3 | Confident | 3 Ų | 3 | 72.4 Ų | 72.4 | 2% | 0.02 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 122 | 177.9 | -179 | 0 | 0 | 0 | 0 | 110.9 | K111 C112 G113 L114 I116 C130 C133 | C109-K111 PolarHBondContact O-N 2.82Å; C109-K111 PolarHBondContact SG-N 2.87Å; C109-C112 WeakPolarHBondContact CB-SG 3.49Å; C109-G113 VanDerWaalsContact O-CA 3.28Å; C109-G113 WeakPolarHBondContact O-CA 3.39Å; C109-G113 PolarHBondContact O-N 3.29Å; C109-L114 WeakPolarHBondContact CB-O 3.48Å; C109-L114 PolarHBondContact N-O 3.39Å; C109-I116 HydrophobicContact CB-CD1 4.23Å; C109-I116 HydrophobicContact CB-CG1 3.82Å; C109-C130 HydrophobicContact CB-CB 3.94Å; C109-C130 PolarHBondContact SG-N 3.24Å; C109-C133 PolarHBondContact SG-SG 3.45Å |
| 110 | D | 87.6 | Confident | 80.6 | Confident | 94 Ų | 94 | 68.5 Ų | 68.5 | 50% | 0.503 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 1.6 | 176.6 | -68.1 | -15.8 | 0 | 0 | 0 | 114.5 | F129 K173 | D110-F129 HydrophobicContact CB-CE1 4.23Å; D110-K173 IonicContact OD1-NZ 2.7Å; D110-K173 PolarHBondContact OD1-NZ 3.17Å; D110-K173 IonicContact OD2-NZ 2.57Å; D110-K173 PolarHBondContact OD2-NZ 3.07Å |
| 111 | K | 88.3 | Confident | 82.5 | Confident | 111 Ų | 111 | 62.7 Ų | 62.7 | 48% | 0.483 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -47.8 | 177.4 | -75.6 | -69.8 | 174.8 | -66.1 | 0 | 114.9 | C109 F129 C133 P146 | C109-K111 PolarHBondContact O-N 2.82Å; C109-K111 PolarHBondContact SG-N 2.87Å; K111-F129 HydrophobicContact CG-CD1 4.18Å; K111-F129 HydrophobicContact CG-CE1 4.4Å; K111-C133 HydrophobicContact CB-CB 4.49Å; K111-P146 HydrophobicContact CD-CB 4.36Å; K111-P146 HydrophobicContact CG-CB 4.35Å; K111-P146 PolarHBondContact NZ-O 3.08Å |
| 112 | C | 90.1 | Very high | 84.5 | Confident | 51 Ų | 51 | 55.3 Ų | 55.3 | 35% | 0.345 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -10.9 | 177.3 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | C109 L114 C133 | C109-C112 WeakPolarHBondContact CB-SG 3.49Å; C112-L114 HydrophobicContact CB-CD1 4.32Å; C112-L114 HydrophobicContact CB-CG 4.18Å; C112-L114 PolarHBondContact O-N 3.44Å; C112-L114 VanDerWaalsContact O-N 3.17Å; C112-C133 PolarHBondContact SG-SG 2.05Å |
| 113 | G | 87.8 | Confident | 86.3 | Confident | 48 Ų | 48 | 53.1 Ų | 53.1 | 50% | 0.495 | 29% | 0.288 | S | S | . | . | trans | 70.7 | -3.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | C109 | C109-G113 VanDerWaalsContact O-CA 3.28Å; C109-G113 WeakPolarHBondContact O-CA 3.39Å; C109-G113 PolarHBondContact O-N 3.29Å | ||
| 114 | L | 88.3 | Confident | 87.9 | Confident | 76 Ų | 76 | 50.9 Ų | 50.9 | 40% | 0.398 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -82.2 | 150.3 | -179.3 | -56.4 | 176.2 | 0 | 0 | 0 | 111.2 | L89 C109 C112 | L89-L114 HydrophobicContact CD1-CD1 3.83Å; L89-L114 HydrophobicContact CD1-CD2 4.15Å; C109-L114 WeakPolarHBondContact CB-O 3.48Å; C109-L114 PolarHBondContact N-O 3.39Å; C112-L114 HydrophobicContact CB-CD1 4.32Å; C112-L114 HydrophobicContact CB-CG 4.18Å; C112-L114 PolarHBondContact O-N 3.44Å; C112-L114 VanDerWaalsContact O-N 3.17Å |
| 115 | P | 87.8 | Confident | 89.1 | Confident | 32 Ų | 32 | 49.4 Ų | 49.4 | 21% | 0.208 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -64 | 139.4 | 173.4 | 22.9 | -27.8 | 0 | 0 | 0 | 111.2 | W91 V106 F108 K117 | W91-P115 HydrophobicContact CH2-CG 3.74Å; W91-P115 HydrophobicContact CZ3-CG 3.51Å; V106-P115 HydrophobicContact CG1-CB 3.61Å; F108-P115 HydrophobicContact CD1-CB 4.14Å; F108-P115 HydrophobicContact CE1-CB 4.01Å; F108-P115 HydrophobicContact CE1-CG 4.28Å; P115-K117 PolarHBondContact O-N 3.12Å |
| 116 | I | 89.6 | Confident | 90 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 6% | 0.056 | 26% | 0.264 | C | S | . | . | trans | -81.1 | 104.6 | -171.7 | -60.7 | 168.4 | 0 | 0 | 0 | 109.9 | H107 C109 I118 Y119 C130 | H107-I116 HydrophobicContact CB-CD1 4.16Å; H107-I116 WeakPolarHBondContact O-CB 3.46Å; H107-I116 WeakPolarHBondContact O-CG1 3.13Å; H107-I116 PolarHBondContact O-N 3.01Å; C109-I116 HydrophobicContact CB-CD1 4.23Å; C109-I116 HydrophobicContact CB-CG1 3.82Å; I116-I118 VanDerWaalsContact CG2-C 3.45Å; I116-I118 WeakPolarHBondContact CG2-O 3.21Å; I116-Y119 HydrophobicContact CB-CD1 4.06Å; I116-Y119 HydrophobicContact CB-CE1 3.76Å; I116-Y119 HydrophobicContact CD1-CD1 3.95Å; I116-Y119 HydrophobicContact CD1-CE1 3.73Å; I116-Y119 HydrophobicContact CG1-CE1 4.35Å; I116-Y119 HydrophobicContact CG2-CD1 3.38Å; I116-Y119 HydrophobicContact CG2-CD2 4.21Å; I116-Y119 HydrophobicContact CG2-CE1 3.6Å; I116-Y119 HydrophobicContact CG2-CE2 4.35Å; I116-Y119 HydrophobicContact CG2-CG 3.74Å; I116-C130 HydrophobicContact CG1-CB 4.38Å | ||
| 117 | K | 86.1 | Confident | 90.4 | Very high | 97 Ų | 97 | 48 Ų | 48 | 42% | 0.422 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -66.6 | -47.5 | 171.2 | -65 | -177.3 | 169 | -164 | 0 | 111.4 | D92 F93 P115 | D92-K117 IonicContact OD2-NZ 3.34Å; D92-K117 PolarHBondContact OD2-NZ 3.47Å; F93-K117 HydrophobicContact CD1-CG 4.31Å; F93-K117 HydrophobicContact CD2-CD 3.84Å; F93-K117 HydrophobicContact CD2-CG 4.04Å; F93-K117 HydrophobicContact CE1-CB 3.9Å; F93-K117 HydrophobicContact CE1-CD 4.44Å; F93-K117 HydrophobicContact CE1-CG 3.84Å; F93-K117 HydrophobicContact CE2-CB 4.2Å; F93-K117 HydrophobicContact CE2-CD 3.26Å; F93-K117 HydrophobicContact CE2-CG 3.59Å; F93-K117 HydrophobicContact CG-CG 4.42Å; F93-K117 HydrophobicContact CZ-CB 3.59Å; F93-K117 HydrophobicContact CZ-CD 3.61Å; F93-K117 HydrophobicContact CZ-CG 3.47Å; F93-K117 VanDerWaalsContact CZ-CG 3.47Å; P115-K117 PolarHBondContact O-N 3.12Å |
| 118 | I | 90.3 | Very high | 90.8 | Very high | 70 Ų | 70 | 47 Ų | 47 | 36% | 0.359 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -133.4 | 131 | -180 | -57.3 | 178.4 | 0 | 0 | 0 | 108.3 | I116 Y131 Q157 | I116-I118 VanDerWaalsContact CG2-C 3.45Å; I116-I118 WeakPolarHBondContact CG2-O 3.21Å; I118-Y131 HydrophobicContact CG2-CG 4.15Å; I118-Y131 WeakPolarHBondContact O-CB 3.5Å; I118-Y131 PolarHBondContact O-N 2.74Å; I118-Q157 HydrophobicContact CG2-CG 3.48Å; I118-Q157 VanDerWaalsContact CG2-CG 3.48Å |
| 119 | Y | 92.4 | Very high | 91 | Very high | 7 Ų | 7 | 41 Ų | 41 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 123.7 | -176 | -69.7 | -79.4 | 0 | 0 | 0 | 111.2 | H107 I116 V128 C158 R160 L163 | H107-Y119 HydrophobicContact CB-CE1 3.93Å; H107-Y119 WeakPolarHBondContact CB-OH 3.28Å; H107-Y119 AromaticContact CD2-CE1 3.76Å; H107-Y119 AromaticContact CD2-CZ 3.82Å; H107-Y119 PolarHBondContact CD2-OH 3.33Å; H107-Y119 VanDerWaalsContact CD2-OH 3.23Å; I116-Y119 HydrophobicContact CB-CD1 4.06Å; I116-Y119 HydrophobicContact CB-CE1 3.76Å; I116-Y119 HydrophobicContact CD1-CD1 3.95Å; I116-Y119 HydrophobicContact CD1-CE1 3.73Å; I116-Y119 HydrophobicContact CG1-CE1 4.35Å; I116-Y119 HydrophobicContact CG2-CD1 3.38Å; I116-Y119 HydrophobicContact CG2-CD2 4.21Å; I116-Y119 HydrophobicContact CG2-CE1 3.6Å; I116-Y119 HydrophobicContact CG2-CE2 4.35Å; I116-Y119 HydrophobicContact CG2-CG 3.74Å; Y119-V128 HydrophobicContact CD1-CG1 3.48Å; Y119-V128 VanDerWaalsContact CD1-CG1 3.48Å; Y119-V128 HydrophobicContact CG-CG1 3.99Å; Y119-C158 WeakPolarHBondContact CB-O 3.24Å; Y119-C158 PolarHBondContact N-O 2.9Å; Y119-C158 PolarHBondContact O-N 2.84Å; Y119-R160 HydrophobicContact CE2-CB 4.13Å; Y119-R160 HydrophobicContact CE2-CG 4.31Å; Y119-L163 HydrophobicContact CD1-CD1 4.49Å; Y119-L163 HydrophobicContact CG-CD1 4.06Å |
| 120 | G | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 106.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110.3 | V128 F129 | G120-V128 WeakPolarHBondContact O-CA 3.32Å; G120-F129 PolarHBondContact N-O 3.46Å; G120-F129 PolarHBondContact O-N 3.14Å |
| 121 | R | 93.9 | Very high | 91.5 | Very high | 14 Ų | 14 | 40 Ų | 40 | 5% | 0.053 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 121.9 | -174.6 | -177.5 | 168.9 | -173.2 | -103.6 | 7.2 | 111.7 | I123 V128 I155 E156 T175 | R121-I123 HydrophobicContact CG-CD1 4.11Å; R121-I123 VanDerWaalsContact NH1-CD1 3.33Å; R121-V128 HydrophobicContact CB-CG2 4.14Å; R121-V128 HydrophobicContact CG-CG2 4.03Å; R121-I155 WeakPolarHBondContact O-CA 3.39Å; R121-E156 HydrophobicContact CB-CB 4.29Å; R121-E156 WeakPolarHBondContact CB-O 3.49Å; R121-E156 PolarHBondContact N-O 2.98Å; R121-E156 IonicContact NH1-OE2 3.2Å; R121-E156 PolarHBondContact NH1-OE2 2.91Å; R121-E156 PolarHBondContact O-N 2.88Å; R121-T175 PolarHBondContact NE-OG1 3.41Å; R121-T175 PolarHBondContact NH2-O 2.75Å |
| 122 | M | 94.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.02 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 120.3 | -178.9 | -53.1 | -86.6 | 78.6 | 0 | 0 | 110.6 | C125 K126 H127 F129 A134 V152 I155 | M122-C125 WeakPolarHBondContact CB-SG 3.47Å; M122-C125 PolarHBondContact O-N 3.32Å; M122-K126 WeakPolarHBondContact O-CA 3.17Å; M122-K126 PolarHBondContact O-N 3.37Å; M122-H127 WeakPolarHBondContact CB-O 3.47Å; M122-H127 HydrophobicContact CG-CB 4.42Å; M122-H127 WeakPolarHBondContact CG-O 3.37Å; M122-H127 PolarHBondContact N-O 2.95Å; M122-F129 HydrophobicContact CG-CD2 3.95Å; M122-F129 HydrophobicContact CG-CE2 3.84Å; M122-F129 HydrophobicContact SD-CD2 4.18Å; M122-F129 HydrophobicContact SD-CE2 4.21Å; M122-A134 HydrophobicContact CE-CB 3.89Å; M122-V152 HydrophobicContact CB-CG2 4.28Å; M122-V152 HydrophobicContact CE-CG1 3.95Å; M122-V152 HydrophobicContact SD-CG1 4.19Å; M122-V152 HydrophobicContact SD-CG2 3.71Å; M122-I155 HydrophobicContact CE-CB 4.2Å; M122-I155 HydrophobicContact CE-CD1 3.65Å; M122-I155 HydrophobicContact CE-CG1 3.54Å; M122-I155 HydrophobicContact CE-CG2 3.94Å |
| 123 | I | 93.9 | Very high | 91.9 | Very high | 16 Ų | 16 | 38.4 Ų | 38.4 | 8% | 0.082 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 131 | 175.3 | -50.9 | -56.3 | 0 | 0 | 0 | 109.1 | R121 V152 Q153 R154 E156 | R121-I123 HydrophobicContact CG-CD1 4.11Å; R121-I123 VanDerWaalsContact NH1-CD1 3.33Å; I123-V152 CarbonylContact O-C 3.59Å; I123-V152 WeakPolarHBondContact O-CA 3.48Å; I123-Q153 PolarHBondContact O-N 3.28Å; I123-R154 HydrophobicContact CB-CG 3.81Å; I123-R154 HydrophobicContact CG1-CG 3.89Å; I123-R154 HydrophobicContact CG2-CG 4.36Å; I123-R154 PolarHBondContact N-O 3.08Å; I123-E156 HydrophobicContact CD1-CG 4.19Å; I123-E156 WeakPolarHBondContact CD1-OE2 3.49Å; I123-E156 HydrophobicContact CG1-CB 4.42Å; I123-E156 HydrophobicContact CG1-CG 3.82Å |
| 124 | P | 93.4 | Very high | 92.2 | Very high | 79 Ų | 79 | 36.1 Ų | 36.1 | 51% | 0.513 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -96.4 | -3.7 | 10.2 | 37.3 | -34.9 | 0 | 0 | 0 | 115.7 | K126 P151 | P124-K126 VanDerWaalsContact C-N 3.3Å; P124-K126 WeakPolarHBondContact O-CG 3.27Å; P124-K126 PolarHBondContact O-N 3.44Å; P124-P151 WeakPolarHBondContact CD-O 3.21Å |
| 125 | C | 92.3 | Very high | 92.4 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 8% | 0.081 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -12.6 | -167.9 | 67.9 | 0 | 0 | 0 | 0 | 115.6 | M122 H127 C145 D150 | M122-C125 WeakPolarHBondContact CB-SG 3.47Å; M122-C125 PolarHBondContact O-N 3.32Å; C125-H127 PolarHBondContact O-N 2.86Å; C125-C145 PolarHBondContact SG-SG 3.46Å; C125-D150 HydrophobicContact CB-CB 3.79Å; C125-D150 VanDerWaalsContact CB-OD2 3.25Å; C125-D150 WeakPolarHBondContact CB-OD2 3.15Å |
| 126 | K | 93.1 | Very high | 92.6 | Very high | 79 Ų | 79 | 39.3 Ų | 39.3 | 34% | 0.343 | 20% | 0.201 | S | C | . | . | trans | 66.7 | 15.2 | 174.5 | -44.9 | -175.2 | -180 | -177.6 | 0 | 115.7 | M122 P124 T175 Y176 | M122-K126 WeakPolarHBondContact O-CA 3.17Å; M122-K126 PolarHBondContact O-N 3.37Å; P124-K126 VanDerWaalsContact C-N 3.3Å; P124-K126 WeakPolarHBondContact O-CG 3.27Å; P124-K126 PolarHBondContact O-N 3.44Å; K126-T175 WeakPolarHBondContact CB-O 3.03Å; K126-T175 PolarHBondContact O-N 3.43Å; K126-T175 PolarHBondContact O-OG1 2.86Å; K126-Y176 HydrophobicContact CD-CD1 4.3Å; K126-Y176 HydrophobicContact CD-CE1 3.86Å | ||
| 127 | H | 91.9 | Very high | 92.6 | Very high | 33 Ų | 33 | 41 Ų | 41 | 15% | 0.153 | 21% | 0.208 | C | C | . | . | trans | -75.3 | 156.8 | 166.7 | -66.8 | 104.6 | 0 | 0 | 0 | 110.9 | M122 C125 F129 C148 | M122-H127 WeakPolarHBondContact CB-O 3.47Å; M122-H127 HydrophobicContact CG-CB 4.42Å; M122-H127 WeakPolarHBondContact CG-O 3.37Å; M122-H127 PolarHBondContact N-O 2.95Å; C125-H127 PolarHBondContact O-N 2.86Å; H127-F129 HydrophobicContact CB-CE2 4.12Å; H127-F129 HydrophobicContact CB-CZ 4.41Å; H127-C148 VanDerWaalsContact CE1-CB 3.49Å; H127-C148 WeakPolarHBondContact CE1-CB 3.47Å; H127-C148 PolarHBondContact CE1-SG 2.9Å; H127-C148 PolarHBondContact ND1-SG 3.4Å | ||
| 128 | V | 92.2 | Very high | 92.7 | Very high | 20 Ų | 20 | 40.3 Ų | 40.3 | 12% | 0.121 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 137 | -172.1 | -168.7 | 0 | 0 | 0 | 0 | 110.4 | Y119 G120 R121 L163 T175 | Y119-V128 HydrophobicContact CD1-CG1 3.48Å; Y119-V128 VanDerWaalsContact CD1-CG1 3.48Å; Y119-V128 HydrophobicContact CG-CG1 3.99Å; G120-V128 WeakPolarHBondContact O-CA 3.32Å; R121-V128 HydrophobicContact CB-CG2 4.14Å; R121-V128 HydrophobicContact CG-CG2 4.03Å; V128-L163 HydrophobicContact CG1-CD1 4.25Å; V128-L163 HydrophobicContact CG2-CD1 4.22Å; V128-T175 HydrophobicContact CB-CG2 4.23Å; V128-T175 HydrophobicContact CG2-CG2 3.4Å; V128-T175 VanDerWaalsContact CG2-CG2 3.4Å; V128-T175 WeakPolarHBondContact CG2-OG1 3.36Å |
| 129 | F | 93.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | -178.9 | 178.3 | -58.6 | -78.3 | 0 | 0 | 0 | 109.6 | D110 K111 G120 M122 H127 C133 P146 | D110-F129 HydrophobicContact CB-CE1 4.23Å; K111-F129 HydrophobicContact CG-CD1 4.18Å; K111-F129 HydrophobicContact CG-CE1 4.4Å; G120-F129 PolarHBondContact N-O 3.46Å; G120-F129 PolarHBondContact O-N 3.14Å; M122-F129 HydrophobicContact CG-CD2 3.95Å; M122-F129 HydrophobicContact CG-CE2 3.84Å; M122-F129 HydrophobicContact SD-CD2 4.18Å; M122-F129 HydrophobicContact SD-CE2 4.21Å; H127-F129 HydrophobicContact CB-CE2 4.12Å; H127-F129 HydrophobicContact CB-CZ 4.41Å; F129-C133 HydrophobicContact CB-CB 4.37Å; F129-P146 HydrophobicContact CD2-CG 4.09Å; F129-P146 HydrophobicContact CE1-CB 4.41Å; F129-P146 HydrophobicContact CE2-CB 4.3Å; F129-P146 HydrophobicContact CE2-CG 3.76Å; F129-P146 HydrophobicContact CZ-CB 4.04Å; F129-P146 HydrophobicContact CZ-CG 4.01Å |
| 130 | C | 93.7 | Very high | 92.6 | Very high | 13 Ų | 13 | 52.8 Ų | 52.8 | 9% | 0.088 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 138.8 | 163.3 | 99.6 | 0 | 0 | 0 | 0 | 109.3 | C109 I116 D132 C133 A134 | C109-C130 HydrophobicContact CB-CB 3.94Å; C109-C130 PolarHBondContact SG-N 3.24Å; I116-C130 HydrophobicContact CG1-CB 4.38Å; C130-D132 VanDerWaalsContact C-N 3.28Å; C130-D132 PolarHBondContact O-N 3.33Å; C130-C133 HydrophobicContact CB-CB 4.12Å; C130-C133 WeakPolarHBondContact CB-SG 3.44Å; C130-C133 VanDerWaalsContact O-CB 3.24Å; C130-C133 WeakPolarHBondContact O-CB 3.45Å; C130-C133 PolarHBondContact O-N 2.9Å; C130-C133 VanDerWaalsContact O-N 3.08Å; C130-C133 WeakPolarHBondContact SG-CB 3.48Å; C130-C133 PolarHBondContact SG-N 2.72Å; C130-C133 CovalentContact SG-SG 2.05Å; C130-C133 PolarHBondContact SG-SG 2.74Å; C130-A134 PolarHBondContact O-N 2.7Å |
| 131 | Y | 94.1 | Very high | 92.1 | Very high | 62 Ų | 62 | 55.2 Ų | 55.2 | 24% | 0.243 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.9 | -43.1 | -176.3 | -178.1 | -109 | 0 | 0 | 0 | 111.8 | I118 C133 A134 I135 I155 Q157 | I118-Y131 HydrophobicContact CG2-CG 4.15Å; I118-Y131 WeakPolarHBondContact O-CB 3.5Å; I118-Y131 PolarHBondContact O-N 2.74Å; Y131-C133 VanDerWaalsContact C-N 3.32Å; Y131-C133 PolarHBondContact O-N 3.08Å; Y131-A134 WeakPolarHBondContact O-CB 3.41Å; Y131-A134 PolarHBondContact O-N 3.23Å; Y131-A134 VanDerWaalsContact O-N 3.14Å; Y131-I135 HydrophobicContact CD1-CG1 4.26Å; Y131-I135 HydrophobicContact CD2-CG1 4.27Å; Y131-I135 HydrophobicContact CE1-CD1 4.44Å; Y131-I135 HydrophobicContact CE1-CG1 3.88Å; Y131-I135 HydrophobicContact CE2-CD1 3.97Å; Y131-I135 HydrophobicContact CE2-CG1 3.88Å; Y131-I135 HydrophobicContact CG-CG1 4.44Å; Y131-I135 WeakPolarHBondContact O-CG1 3.43Å; Y131-I135 PolarHBondContact O-N 3.04Å; Y131-I155 HydrophobicContact CE2-CG2 4.4Å; Y131-Q157 HydrophobicContact CD2-CB 4.01Å; Y131-Q157 HydrophobicContact CD2-CG 3.89Å; Y131-Q157 HydrophobicContact CE2-CB 3.7Å; Y131-Q157 HydrophobicContact CE2-CG 3.91Å; Y131-Q157 HydrophobicContact CG-CG 4.28Å |
| 132 | D | 93.7 | Very high | 91.6 | Very high | 107 Ų | 107 | 57.3 Ų | 57.3 | 57% | 0.572 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -59.7 | -42.9 | 176.5 | -43.4 | -61.4 | 0 | 0 | 0 | 111.5 | C130 A134 I135 L136 | C130-D132 VanDerWaalsContact C-N 3.28Å; C130-D132 PolarHBondContact O-N 3.33Å; D132-A134 VanDerWaalsContact C-N 3.31Å; D132-A134 PolarHBondContact O-N 3.18Å; D132-I135 PolarHBondContact O-N 2.88Å; D132-L136 VanDerWaalsContact O-CB 3.27Å; D132-L136 WeakPolarHBondContact O-CB 3.34Å; D132-L136 WeakPolarHBondContact O-CD1 3.41Å; D132-L136 WeakPolarHBondContact O-CG 3.49Å; D132-L136 PolarHBondContact O-N 2.8Å |
| 133 | C | 93.7 | Very high | 91.4 | Very high | 22 Ų | 22 | 63.8 Ų | 63.8 | 15% | 0.149 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 177.3 | -52.6 | 0 | 0 | 0 | 0 | 111.6 | C109 K111 C112 F129 C130 Y131 H137 | C109-C133 PolarHBondContact SG-SG 3.45Å; K111-C133 HydrophobicContact CB-CB 4.49Å; C112-C133 PolarHBondContact SG-SG 2.05Å; F129-C133 HydrophobicContact CB-CB 4.37Å; C130-C133 HydrophobicContact CB-CB 4.12Å; C130-C133 WeakPolarHBondContact CB-SG 3.44Å; C130-C133 VanDerWaalsContact O-CB 3.24Å; C130-C133 WeakPolarHBondContact O-CB 3.45Å; C130-C133 PolarHBondContact O-N 2.9Å; C130-C133 VanDerWaalsContact O-N 3.08Å; C130-C133 WeakPolarHBondContact SG-CB 3.48Å; C130-C133 PolarHBondContact SG-N 2.72Å; C130-C133 CovalentContact SG-SG 2.05Å; C130-C133 PolarHBondContact SG-SG 2.74Å; Y131-C133 VanDerWaalsContact C-N 3.32Å; Y131-C133 PolarHBondContact O-N 3.08Å; C133-H137 PolarHBondContact O-N 3.24Å |
| 134 | A | 93.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.4 | -46.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | M122 C130 Y131 D132 H137 E138 I155 | M122-A134 HydrophobicContact CE-CB 3.89Å; C130-A134 PolarHBondContact O-N 2.7Å; Y131-A134 WeakPolarHBondContact O-CB 3.41Å; Y131-A134 PolarHBondContact O-N 3.23Å; Y131-A134 VanDerWaalsContact O-N 3.14Å; D132-A134 VanDerWaalsContact C-N 3.31Å; D132-A134 PolarHBondContact O-N 3.18Å; A134-H137 WeakPolarHBondContact O-CB 3.18Å; A134-H137 PolarHBondContact O-N 2.87Å; A134-E138 PolarHBondContact O-N 3.36Å; A134-E138 VanDerWaalsContact O-N 3.08Å; A134-I155 VanDerWaalsContact C-CD1 3.41Å; A134-I155 HydrophobicContact CB-CD1 3.92Å; A134-I155 HydrophobicContact CB-CG2 3.91Å; A134-I155 WeakPolarHBondContact O-CD1 3.38Å |
| 135 | I | 92.8 | Very high | 91.3 | Very high | 59 Ų | 59 | 64 Ų | 64 | 30% | 0.303 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 177.7 | -64.6 | -71.4 | 0 | 0 | 0 | 111.7 | Y131 D132 H137 E138 K139 I155 | Y131-I135 HydrophobicContact CD1-CG1 4.26Å; Y131-I135 HydrophobicContact CD2-CG1 4.27Å; Y131-I135 HydrophobicContact CE1-CD1 4.44Å; Y131-I135 HydrophobicContact CE1-CG1 3.88Å; Y131-I135 HydrophobicContact CE2-CD1 3.97Å; Y131-I135 HydrophobicContact CE2-CG1 3.88Å; Y131-I135 HydrophobicContact CG-CG1 4.44Å; Y131-I135 WeakPolarHBondContact O-CG1 3.43Å; Y131-I135 PolarHBondContact O-N 3.04Å; D132-I135 PolarHBondContact O-N 2.88Å; I135-H137 VanDerWaalsContact C-N 3.29Å; I135-H137 PolarHBondContact O-N 3.41Å; I135-E138 PolarHBondContact O-N 3.23Å; I135-K139 VanDerWaalsContact O-CB 3.32Å; I135-K139 WeakPolarHBondContact O-CB 3.49Å; I135-K139 PolarHBondContact O-N 3.06Å; I135-I155 HydrophobicContact CD1-CD1 4.2Å |
| 136 | L | 92.1 | Very high | 91.1 | Very high | 117 Ų | 117 | 64.5 Ų | 64.5 | 61% | 0.613 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61 | -38.1 | 173.8 | -76.2 | 168.9 | 0 | 0 | 0 | 112 | D132 K140 | D132-L136 VanDerWaalsContact O-CB 3.27Å; D132-L136 WeakPolarHBondContact O-CB 3.34Å; D132-L136 WeakPolarHBondContact O-CD1 3.41Å; D132-L136 WeakPolarHBondContact O-CG 3.49Å; D132-L136 PolarHBondContact O-N 2.8Å; L136-K140 WeakPolarHBondContact O-CB 3.33Å; L136-K140 PolarHBondContact O-N 3.28Å |
| 137 | H | 89.1 | Confident | 90.9 | Very high | 46 Ų | 46 | 63.3 Ų | 63.3 | 21% | 0.213 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.3 | -45.1 | 176.8 | -153.5 | -90.6 | 0 | 0 | 0 | 111.9 | C133 A134 I135 K140 D142 M144 | C133-H137 PolarHBondContact O-N 3.24Å; A134-H137 WeakPolarHBondContact O-CB 3.18Å; A134-H137 PolarHBondContact O-N 2.87Å; I135-H137 VanDerWaalsContact C-N 3.29Å; I135-H137 PolarHBondContact O-N 3.41Å; H137-K140 WeakPolarHBondContact O-CB 3.38Å; H137-K140 PolarHBondContact O-N 3.06Å; H137-D142 WeakPolarHBondContact CE1-CB 3.37Å; H137-D142 WeakPolarHBondContact ND1-CB 3.35Å; H137-D142 PolarHBondContact ND1-O 3.01Å; H137-D142 PolarHBondContact O-N 2.85Å; H137-M144 PolarHBondContact CE1-O 3.45Å; H137-M144 PolarHBondContact ND1-O 3.41Å |
| 138 | E | 89.7 | Confident | 90.7 | Very high | 83 Ų | 83 | 63.8 Ų | 63.8 | 39% | 0.388 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 175.2 | 178.8 | 173.3 | -109.2 | 0 | 0 | 112 | A134 I135 K140 G141 I155 | A134-E138 PolarHBondContact O-N 3.36Å; A134-E138 VanDerWaalsContact O-N 3.08Å; I135-E138 PolarHBondContact O-N 3.23Å; E138-K140 VanDerWaalsContact C-N 3.27Å; E138-K140 PolarHBondContact O-N 3.36Å; E138-G141 PolarHBondContact O-N 3.37Å; E138-I155 HydrophobicContact CB-CD1 3.75Å; E138-I155 HydrophobicContact CG-CD1 4.46Å |
| 139 | K | 90.2 | Very high | 90.7 | Very high | 180 Ų | 180 | 66.9 Ų | 66.9 | 78% | 0.783 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.4 | -31.1 | 176.4 | -175.5 | 178.3 | 177.7 | -175.8 | 0 | 112.8 | I135 G141 | I135-K139 VanDerWaalsContact O-CB 3.32Å; I135-K139 WeakPolarHBondContact O-CB 3.49Å; I135-K139 PolarHBondContact O-N 3.06Å; K139-G141 PolarHBondContact O-N 3.22Å |
| 140 | K | 90.6 | Very high | 90.6 | Very high | 158 Ų | 158 | 70.1 Ų | 70.1 | 69% | 0.687 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -9.6 | 175.5 | -168 | 169.8 | 164.3 | -112 | 0 | 113.1 | L136 H137 E138 D142 | L136-K140 WeakPolarHBondContact O-CB 3.33Å; L136-K140 PolarHBondContact O-N 3.28Å; H137-K140 WeakPolarHBondContact O-CB 3.38Å; H137-K140 PolarHBondContact O-N 3.06Å; E138-K140 VanDerWaalsContact C-N 3.27Å; E138-K140 PolarHBondContact O-N 3.36Å; K140-D142 VanDerWaalsContact C-N 3.32Å; K140-D142 WeakPolarHBondContact CD-OD2 3.4Å; K140-D142 WeakPolarHBondContact CE-OD2 3.41Å; K140-D142 IonicContact NZ-OD2 2.72Å; K140-D142 PolarHBondContact NZ-OD2 2.66Å |
| 141 | G | 83.2 | Confident | 90.6 | Very high | 51 Ų | 51 | 73.6 Ų | 73.6 | 53% | 0.526 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -6.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E138 K139 K143 | E138-G141 PolarHBondContact O-N 3.37Å; K139-G141 PolarHBondContact O-N 3.22Å; G141-K143 PolarHBondContact O-N 3.47Å |
| 142 | D | 83.7 | Confident | 90.7 | Very high | 58 Ų | 58 | 71.6 Ų | 71.6 | 31% | 0.31 | 40% | 0.395 | S | S | . | . | trans | -77.7 | 81.3 | -177.1 | -67 | -37.7 | 0 | 0 | 0 | 110.5 | H137 K140 M144 | H137-D142 WeakPolarHBondContact CE1-CB 3.37Å; H137-D142 WeakPolarHBondContact ND1-CB 3.35Å; H137-D142 PolarHBondContact ND1-O 3.01Å; H137-D142 PolarHBondContact O-N 2.85Å; K140-D142 VanDerWaalsContact C-N 3.32Å; K140-D142 WeakPolarHBondContact CD-OD2 3.4Å; K140-D142 WeakPolarHBondContact CE-OD2 3.41Å; K140-D142 IonicContact NZ-OD2 2.72Å; K140-D142 PolarHBondContact NZ-OD2 2.66Å; D142-M144 PolarHBondContact O-N 2.99Å | ||
| 143 | K | 89.9 | Confident | 90.7 | Very high | 141 Ų | 141 | 73.4 Ų | 73.4 | 61% | 0.613 | 40% | 0.4 | S | S | * | . | trans | -69.1 | 24.5 | 175.5 | -60.5 | -173.6 | -177.4 | -61 | 0 | 114.1 | G141 P151 V152 | G141-K143 PolarHBondContact O-N 3.47Å; K143-P151 CarbonylContact O-C 3.57Å; K143-P151 WeakPolarHBondContact O-CA 3.46Å; K143-V152 PolarHBondContact O-N 3.03Å | ||
| 144 | M | 92.9 | Very high | 90.7 | Very high | 96 Ų | 96 | 77.7 Ų | 77.7 | 47% | 0.473 | 41% | 0.413 | S | S | . | . | B | Isolated β-bridge | trans | -121.4 | 139.7 | -174.5 | -57.5 | -60.2 | -92.4 | 0 | 0 | 109.4 | H137 D142 P146 S149 D150 P151 | H137-M144 PolarHBondContact CE1-O 3.45Å; H137-M144 PolarHBondContact ND1-O 3.41Å; D142-M144 PolarHBondContact O-N 2.99Å; M144-P146 WeakPolarHBondContact O-CD 3.03Å; M144-S149 WeakPolarHBondContact CE-O 3.47Å; M144-D150 CarbonylContact C-O 3.59Å; M144-P151 HydrophobicContact SD-CB 4.09Å |
| 145 | C | 92.1 | Very high | 90.7 | Very high | 3 Ų | 3 | 78.9 Ų | 78.9 | 2% | 0.02 | 42% | 0.419 | C | S | . | . | trans | -68.9 | 124.4 | -174.3 | 174.4 | 0 | 0 | 0 | 0 | 110 | C125 G147 C148 S149 D150 V152 | C125-C145 PolarHBondContact SG-SG 3.46Å; C145-G147 PolarHBondContact O-N 2.9Å; C145-C148 VanDerWaalsContact CB-SG 3.55Å; C145-C148 PolarHBondContact O-N 3.3Å; C145-C148 PolarHBondContact SG-SG 3.21Å; C145-S149 WeakPolarHBondContact O-CA 3.48Å; C145-S149 PolarHBondContact O-N 3.36Å; C145-D150 HydrophobicContact CB-CB 4.45Å; C145-D150 VanDerWaalsContact CB-O 3.29Å; C145-D150 WeakPolarHBondContact CB-O 3.49Å; C145-D150 PolarHBondContact N-O 3.47Å; C145-V152 HydrophobicContact CB-CG2 3.88Å | ||
| 146 | P | 88.9 | Confident | 90.8 | Very high | 23 Ų | 23 | 78.4 Ų | 78.4 | 15% | 0.149 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -0.7 | -175.5 | -1.4 | 3.6 | 0 | 0 | 0 | 116.1 | K111 F129 M144 | K111-P146 HydrophobicContact CD-CB 4.36Å; K111-P146 HydrophobicContact CG-CB 4.35Å; K111-P146 PolarHBondContact NZ-O 3.08Å; F129-P146 HydrophobicContact CD2-CG 4.09Å; F129-P146 HydrophobicContact CE1-CB 4.41Å; F129-P146 HydrophobicContact CE2-CB 4.3Å; F129-P146 HydrophobicContact CE2-CG 3.76Å; F129-P146 HydrophobicContact CZ-CB 4.04Å; F129-P146 HydrophobicContact CZ-CG 4.01Å; M144-P146 WeakPolarHBondContact O-CD 3.03Å |
| 147 | G | 87.1 | Confident | 90.9 | Very high | 53 Ų | 53 | 78.2 Ų | 78.2 | 55% | 0.546 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -28.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | C145 | C145-G147 PolarHBondContact O-N 2.9Š|
| 148 | C | 89 | Confident | 90.9 | Very high | 43 Ų | 43 | 76.5 Ų | 76.5 | 29% | 0.291 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | -1.2 | -178.2 | 61.8 | 0 | 0 | 0 | 0 | 114.2 | H127 C145 D150 | H127-C148 VanDerWaalsContact CE1-CB 3.49Å; H127-C148 WeakPolarHBondContact CE1-CB 3.47Å; H127-C148 PolarHBondContact CE1-SG 2.9Å; H127-C148 PolarHBondContact ND1-SG 3.4Å; C145-C148 VanDerWaalsContact CB-SG 3.55Å; C145-C148 PolarHBondContact O-N 3.3Å; C145-C148 PolarHBondContact SG-SG 3.21Å; C148-D150 PolarHBondContact O-N 2.85Å; C148-D150 VanDerWaalsContact O-N 3.1Å; C148-D150 PolarHBondContact SG-OD2 3.46Å |
| 149 | S | 90.8 | Very high | 90.7 | Very high | 86 Ų | 86 | 77.4 Ų | 77.4 | 60% | 0.601 | 42% | 0.416 | S | S | * | . | trans | 62.1 | 9.9 | -176.4 | -43.8 | 0 | 0 | 0 | 0 | 115.2 | M144 C145 | M144-S149 WeakPolarHBondContact CE-O 3.47Å; C145-S149 WeakPolarHBondContact O-CA 3.48Å; C145-S149 PolarHBondContact O-N 3.36Å | ||
| 150 | D | 92.4 | Very high | 90.1 | Very high | 71 Ų | 71 | 73 Ų | 73 | 38% | 0.38 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 144.7 | 174.3 | -70.1 | -35.9 | 0 | 0 | 0 | 111.5 | C125 M144 C145 C148 V152 | C125-D150 HydrophobicContact CB-CB 3.79Å; C125-D150 VanDerWaalsContact CB-OD2 3.25Å; C125-D150 WeakPolarHBondContact CB-OD2 3.15Å; M144-D150 CarbonylContact C-O 3.59Å; C145-D150 HydrophobicContact CB-CB 4.45Å; C145-D150 VanDerWaalsContact CB-O 3.29Å; C145-D150 WeakPolarHBondContact CB-O 3.49Å; C145-D150 PolarHBondContact N-O 3.47Å; C148-D150 PolarHBondContact O-N 2.85Å; C148-D150 VanDerWaalsContact O-N 3.1Å; C148-D150 PolarHBondContact SG-OD2 3.46Å; D150-V152 PolarHBondContact O-N 3.3Å |
| 151 | P | 94.1 | Very high | 89.6 | Confident | 86 Ų | 86 | 67.5 Ų | 67.5 | 56% | 0.558 | 38% | 0.383 | S | S | * | . | B | Isolated β-bridge | trans | -61.6 | 132.3 | 175.6 | 25.6 | -34.3 | 0 | 0 | 0 | 112.2 | P124 K143 M144 | P124-P151 WeakPolarHBondContact CD-O 3.21Å; K143-P151 CarbonylContact O-C 3.57Å; K143-P151 WeakPolarHBondContact O-CA 3.46Å; M144-P151 HydrophobicContact SD-CB 4.09Å |
| 152 | V | 94.9 | Very high | 89.6 | Confident | 20 Ų | 20 | 67 Ų | 67 | 12% | 0.121 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -97.4 | 118.5 | 179.4 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | M122 I123 K143 C145 D150 R154 I155 | M122-V152 HydrophobicContact CB-CG2 4.28Å; M122-V152 HydrophobicContact CE-CG1 3.95Å; M122-V152 HydrophobicContact SD-CG1 4.19Å; M122-V152 HydrophobicContact SD-CG2 3.71Å; I123-V152 CarbonylContact O-C 3.59Å; I123-V152 WeakPolarHBondContact O-CA 3.48Å; K143-V152 PolarHBondContact O-N 3.03Å; C145-V152 HydrophobicContact CB-CG2 3.88Å; D150-V152 PolarHBondContact O-N 3.3Å; V152-R154 WeakPolarHBondContact CG1-O 3.28Å; V152-I155 HydrophobicContact CG1-CG1 4.42Å |
| 153 | Q | 94.3 | Very high | 89.8 | Confident | 145 Ų | 145 | 65.4 Ų | 65.4 | 68% | 0.678 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -82.8 | -37.1 | 177.2 | -170.6 | -175.8 | 27 | 0 | 0 | 112.2 | I123 | I123-Q153 PolarHBondContact O-N 3.28Š|
| 154 | R | 93.4 | Very high | 89.8 | Confident | 112 Ų | 112 | 62.2 Ų | 62.2 | 42% | 0.423 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 164.2 | 177.1 | 64.4 | 174.4 | -177.6 | -83.4 | 1.5 | 110.9 | I123 V152 E156 | I123-R154 HydrophobicContact CB-CG 3.81Å; I123-R154 HydrophobicContact CG1-CG 3.89Å; I123-R154 HydrophobicContact CG2-CG 4.36Å; I123-R154 PolarHBondContact N-O 3.08Å; V152-R154 WeakPolarHBondContact CG1-O 3.28Å; R154-E156 IonicContact CZ-OE1 2.7Å; R154-E156 IonicContact NE-OE1 3.61Å; R154-E156 PolarHBondContact NE-OE1 2.97Å; R154-E156 IonicContact NH2-OE1 2.86Å; R154-E156 PolarHBondContact NH2-OE1 3.29Å |
| 155 | I | 94.5 | Very high | 89.6 | Confident | 26 Ų | 26 | 60.1 Ų | 60.1 | 13% | 0.133 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 121.2 | 172 | -45.5 | -170.1 | 0 | 0 | 0 | 108.7 | R121 M122 Y131 A134 I135 E138 V152 | R121-I155 WeakPolarHBondContact O-CA 3.39Å; M122-I155 HydrophobicContact CE-CB 4.2Å; M122-I155 HydrophobicContact CE-CD1 3.65Å; M122-I155 HydrophobicContact CE-CG1 3.54Å; M122-I155 HydrophobicContact CE-CG2 3.94Å; Y131-I155 HydrophobicContact CE2-CG2 4.4Å; A134-I155 VanDerWaalsContact C-CD1 3.41Å; A134-I155 HydrophobicContact CB-CD1 3.92Å; A134-I155 HydrophobicContact CB-CG2 3.91Å; A134-I155 WeakPolarHBondContact O-CD1 3.38Å; I135-I155 HydrophobicContact CD1-CD1 4.2Å; E138-I155 HydrophobicContact CB-CD1 3.75Å; E138-I155 HydrophobicContact CG-CD1 4.46Å; V152-I155 HydrophobicContact CG1-CG1 4.42Å |
| 156 | E | 94.3 | Very high | 89.6 | Confident | 49 Ų | 49 | 60.1 Ų | 60.1 | 23% | 0.229 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 128.2 | 171.5 | -75 | 172.8 | -177.8 | 0 | 0 | 109.5 | R121 I123 R154 | R121-E156 HydrophobicContact CB-CB 4.29Å; R121-E156 WeakPolarHBondContact CB-O 3.49Å; R121-E156 PolarHBondContact N-O 2.98Å; R121-E156 IonicContact NH1-OE2 3.2Å; R121-E156 PolarHBondContact NH1-OE2 2.91Å; R121-E156 PolarHBondContact O-N 2.88Å; I123-E156 HydrophobicContact CD1-CG 4.19Å; I123-E156 WeakPolarHBondContact CD1-OE2 3.49Å; I123-E156 HydrophobicContact CG1-CB 4.42Å; I123-E156 HydrophobicContact CG1-CG 3.82Å; R154-E156 IonicContact CZ-OE1 2.7Å; R154-E156 IonicContact NE-OE1 3.61Å; R154-E156 PolarHBondContact NE-OE1 2.97Å; R154-E156 IonicContact NH2-OE1 2.86Å; R154-E156 PolarHBondContact NH2-OE1 3.29Å |
| 157 | Q | 93.8 | Very high | 89.5 | Confident | 112 Ų | 112 | 63.9 Ų | 63.9 | 52% | 0.523 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 126.5 | 171.9 | -169.3 | 179.6 | -11.4 | 0 | 0 | 109.2 | I118 Y131 | I118-Q157 HydrophobicContact CG2-CG 3.48Å; I118-Q157 VanDerWaalsContact CG2-CG 3.48Å; Y131-Q157 HydrophobicContact CD2-CB 4.01Å; Y131-Q157 HydrophobicContact CD2-CG 3.89Å; Y131-Q157 HydrophobicContact CE2-CB 3.7Å; Y131-Q157 HydrophobicContact CE2-CG 3.91Å; Y131-Q157 HydrophobicContact CG-CG 4.28Å |
| 158 | C | 89.9 | Confident | 89.6 | Confident | 11 Ų | 11 | 65.6 Ų | 65.6 | 7% | 0.074 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 140.6 | 179.4 | -57 | 0 | 0 | 0 | 0 | 110.8 | Y119 L163 | Y119-C158 WeakPolarHBondContact CB-O 3.24Å; Y119-C158 PolarHBondContact N-O 2.9Å; Y119-C158 PolarHBondContact O-N 2.84Å; C158-L163 HydrophobicContact CB-CD1 3.64Å; C158-L163 HydrophobicContact CB-CD2 4.39Å; C158-L163 HydrophobicContact CB-CG 3.93Å |
| 159 | T | 85.3 | Confident | 89.4 | Confident | 101 Ų | 101 | 67 Ų | 67 | 62% | 0.62 | 37% | 0.369 | S | S | * | . | trans | -83 | 157.2 | 176.2 | 50 | 0 | 0 | 0 | 0 | 111.4 | G161 S162 | T159-G161 PolarHBondContact O-N 2.85Å; T159-S162 PolarHBondContact N-OG 3.47Å; T159-S162 WeakPolarHBondContact O-CB 3.34Å; T159-S162 PolarHBondContact O-N 2.92Å; T159-S162 PolarHBondContact O-OG 3.34Å | ||
| 160 | R | 77.5 | Confident | 88.9 | Confident | 87 Ų | 87 | 71.9 Ų | 71.9 | 33% | 0.328 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 135.5 | 171.6 | -170.7 | 159.2 | 83.5 | 109.9 | -1.7 | 109.8 | D102 T104 Y119 | D102-R160 IonicContact OD1-NH1 2.69Å; D102-R160 IonicContact OD2-CZ 3.41Å; D102-R160 VanDerWaalsContact OD2-CZ 3.23Å; D102-R160 IonicContact OD2-NH1 2.83Å; D102-R160 PolarHBondContact OD2-NH1 2.83Å; D102-R160 IonicContact OD2-NH2 3.23Å; D102-R160 PolarHBondContact OD2-NH2 3.19Å; T104-R160 HydrophobicContact CG2-CG 3.41Å; T104-R160 VanDerWaalsContact CG2-CG 3.41Å; T104-R160 PolarHBondContact O-NH1 3.33Å; Y119-R160 HydrophobicContact CE2-CB 4.13Å; Y119-R160 HydrophobicContact CE2-CG 4.31Å |
| 161 | G | 79.3 | Confident | 88.3 | Confident | 44 Ų | 44 | 71.8 Ų | 71.8 | 45% | 0.454 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | -14.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | T159 | T159-G161 PolarHBondContact O-N 2.85Š|
| 162 | S | 82.6 | Confident | 88 | Confident | 39 Ų | 39 | 68.6 Ų | 68.6 | 27% | 0.273 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -86.9 | -3.9 | 178.7 | 69.4 | 0 | 0 | 0 | 0 | 115.1 | T159 | T159-S162 PolarHBondContact N-OG 3.47Å; T159-S162 WeakPolarHBondContact O-CB 3.34Å; T159-S162 PolarHBondContact O-N 2.92Å; T159-S162 PolarHBondContact O-OG 3.34Å |
| 163 | L | 89.3 | Confident | 87.7 | Confident | 25 Ų | 25 | 71.8 Ų | 71.8 | 13% | 0.131 | 39% | 0.389 | C | S | . | . | trans | -126.1 | 129.7 | -174.4 | -69.3 | 175.9 | 0 | 0 | 0 | 111.9 | Y119 V128 C158 Y176 L177 | Y119-L163 HydrophobicContact CD1-CD1 4.49Å; Y119-L163 HydrophobicContact CG-CD1 4.06Å; V128-L163 HydrophobicContact CG1-CD1 4.25Å; V128-L163 HydrophobicContact CG2-CD1 4.22Å; C158-L163 HydrophobicContact CB-CD1 3.64Å; C158-L163 HydrophobicContact CB-CD2 4.39Å; C158-L163 HydrophobicContact CB-CG 3.93Å; L163-Y176 WeakPolarHBondContact CA-O 3.39Å; L163-L177 HydrophobicContact CD2-CD2 3.87Å | ||
| 164 | F | 89.8 | Confident | 87.4 | Confident | 75 Ų | 75 | 69.3 Ų | 69.3 | 33% | 0.329 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 115.5 | 174.2 | -62.1 | -90.7 | 0 | 0 | 0 | 109 | T175 Y176 Q179 L182 | F164-T175 WeakPolarHBondContact O-CA 3.29Å; F164-Y176 PolarHBondContact N-O 2.89Å; F164-Y176 PolarHBondContact O-N 3.32Å; F164-Q179 HydrophobicContact CD1-CB 4.06Å; F164-Q179 HydrophobicContact CE1-CB 3.94Å; F164-Q179 HydrophobicContact CG-CB 4.49Å; F164-Q179 HydrophobicContact CZ-CB 4.28Å; F164-L182 HydrophobicContact CB-CB 3.99Å; F164-L182 HydrophobicContact CB-CD2 3.77Å; F164-L182 HydrophobicContact CB-CG 4.48Å |
| 165 | M | 89.2 | Confident | 87.4 | Confident | 51 Ų | 51 | 64 Ų | 64 | 25% | 0.251 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 136.4 | -176.9 | -174.3 | -179.4 | -68.5 | 0 | 0 | 112 | H107 S167 K173 T175 | H107-M165 VanDerWaalsContact CD2-CE 3.41Å; H107-M165 WeakPolarHBondContact CD2-CE 3.29Å; M165-S167 PolarHBondContact O-N 2.99Å; M165-K173 HydrophobicContact SD-CB 4.39Å; M165-T175 HydrophobicContact CB-CG2 4.24Å; M165-T175 HydrophobicContact CE-CG2 4Å; M165-T175 HydrophobicContact CG-CG2 4.22Å |
| 166 | C | 90.9 | Very high | 87.3 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.02 | 35% | 0.352 | C | S | . | . | trans | -77.9 | 119.5 | 174 | -167.3 | 0 | 0 | 0 | 0 | 112.9 | K173 R174 L182 H185 H190 | C166-K173 PolarHBondContact O-N 3.41Å; C166-R174 PolarHBondContact N-O 3.08Å; C166-L182 HydrophobicContact CB-CD1 3.55Å; C166-H185 WeakPolarHBondContact CB-NE2 3.41Å; C166-H185 PolarHBondContact SG-NE2 3.12Å; C166-H185 VanDerWaalsContact SG-NE2 3.38Å; C166-H190 VanDerWaalsContact SG-CD2 3.5Å; C166-H190 PolarHBondContact SG-NE2 3.07Å | ||
| 167 | S | 88.1 | Confident | 87.1 | Confident | 103 Ų | 103 | 66.3 Ų | 66.3 | 72% | 0.72 | 37% | 0.366 | S | S | * | . | trans | -111.3 | -2.6 | 177.3 | 54.6 | 0 | 0 | 0 | 0 | 114.4 | M165 V169 | M165-S167 PolarHBondContact O-N 2.99Å; S167-V169 PolarHBondContact O-N 3.37Å | ||
| 168 | I | 87.5 | Confident | 87 | Confident | 89 Ų | 89 | 62.7 Ų | 62.7 | 46% | 0.456 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -62 | -39.3 | -170.9 | -58.9 | -58.7 | 0 | 0 | 0 | 113.2 | I186 H190 M191 | I168-I186 HydrophobicContact CD1-CD1 4.21Å; I168-I186 HydrophobicContact CG1-CB 4.49Å; I168-I186 HydrophobicContact CG1-CD1 3.68Å; I168-I186 HydrophobicContact CG1-CG1 3.72Å; I168-I186 HydrophobicContact CG1-CG2 3.97Å; I168-H190 HydrophobicContact CB-CB 4.49Å; I168-H190 HydrophobicContact CG2-CB 3.85Å; I168-M191 HydrophobicContact CG2-CE 4.29Å |
| 169 | V | 85.6 | Confident | 87.1 | Confident | 72 Ų | 72 | 66.6 Ų | 66.6 | 44% | 0.436 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -117.7 | 132.6 | 174.2 | 175.9 | 0 | 0 | 0 | 0 | 108.4 | S167 G171 C172 H190 | S167-V169 PolarHBondContact O-N 3.37Å; V169-G171 PolarHBondContact O-N 3.3Å; V169-C172 HydrophobicContact CB-CB 4.49Å; V169-C172 WeakPolarHBondContact O-CB 3.25Å; V169-C172 PolarHBondContact O-N 3Å; V169-H190 HydrophobicContact CG2-CB 4.4Å; V169-H190 VanDerWaalsContact CG2-ND1 3.28Å; V169-H190 WeakPolarHBondContact CG2-ND1 3.49Å |
| 170 | Q | 79.6 | Confident | 87.5 | Confident | 189 Ų | 189 | 71.8 Ų | 71.8 | 88% | 0.883 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 130.3 | 176.8 | -66.6 | -156.2 | -1.2 | 0 | 0 | 110.3 | ||
| 171 | G | 81.1 | Confident | 88.3 | Confident | 68 Ų | 68 | 71.3 Ų | 71.3 | 70% | 0.701 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | -2.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | V169 | V169-G171 PolarHBondContact O-N 3.3Š|
| 172 | C | 87.4 | Confident | 89 | Confident | 20 Ų | 20 | 69.8 Ų | 69.8 | 14% | 0.135 | 36% | 0.364 | C | S | . | . | trans | -67.9 | -51 | 179.2 | -167.6 | 0 | 0 | 0 | 0 | 113.1 | V169 R174 H185 H190 | V169-C172 HydrophobicContact CB-CB 4.49Å; V169-C172 WeakPolarHBondContact O-CB 3.25Å; V169-C172 PolarHBondContact O-N 3Å; C172-R174 PolarHBondContact O-N 2.74Å; C172-H185 VanDerWaalsContact SG-CE1 3.57Å; C172-H185 PolarHBondContact SG-NE2 3.1Å; C172-H190 VanDerWaalsContact SG-CE1 3.58Å; C172-H190 PolarHBondContact SG-NE2 3.38Å; C172-H190 VanDerWaalsContact SG-NE2 3.37Å | ||
| 173 | K | 87.4 | Confident | 89.5 | Confident | 87 Ų | 87 | 71.7 Ų | 71.7 | 38% | 0.378 | 37% | 0.368 | S | S | . | . | trans | 47.6 | 9.4 | 172.2 | -63 | -168.8 | -177.8 | -177.3 | 0 | 117.7 | D110 M165 C166 | D110-K173 IonicContact OD1-NZ 2.7Å; D110-K173 PolarHBondContact OD1-NZ 3.17Å; D110-K173 IonicContact OD2-NZ 2.57Å; D110-K173 PolarHBondContact OD2-NZ 3.07Å; M165-K173 HydrophobicContact SD-CB 4.39Å; C166-K173 PolarHBondContact O-N 3.41Å | ||
| 174 | R | 89.9 | Confident | 89.8 | Confident | 92 Ų | 92 | 72.4 Ų | 72.4 | 35% | 0.347 | 38% | 0.378 | S | S | . | . | trans | -68.1 | 138.7 | -177.8 | -78.3 | -176.6 | 169.7 | 146.3 | 0.5 | 111.2 | C166 C172 Y176 | C166-R174 PolarHBondContact N-O 3.08Å; C172-R174 PolarHBondContact O-N 2.74Å; R174-Y176 HydrophobicContact CB-CE2 3.62Å | ||
| 175 | T | 92.1 | Very high | 90 | Very high | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.012 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 143.2 | -175.8 | 69 | 0 | 0 | 0 | 0 | 114.3 | R121 K126 V128 F164 M165 | R121-T175 PolarHBondContact NE-OG1 3.41Å; R121-T175 PolarHBondContact NH2-O 2.75Å; K126-T175 WeakPolarHBondContact CB-O 3.03Å; K126-T175 PolarHBondContact O-N 3.43Å; K126-T175 PolarHBondContact O-OG1 2.86Å; V128-T175 HydrophobicContact CB-CG2 4.23Å; V128-T175 HydrophobicContact CG2-CG2 3.4Å; V128-T175 VanDerWaalsContact CG2-CG2 3.4Å; V128-T175 WeakPolarHBondContact CG2-OG1 3.36Å; F164-T175 WeakPolarHBondContact O-CA 3.29Å; M165-T175 HydrophobicContact CB-CG2 4.24Å; M165-T175 HydrophobicContact CE-CG2 4Å; M165-T175 HydrophobicContact CG-CG2 4.22Å |
| 176 | Y | 92.8 | Very high | 90.2 | Very high | 22 Ų | 22 | 67.6 Ų | 67.6 | 9% | 0.086 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 149.8 | -173.2 | -63.3 | -85.9 | 0 | 0 | 0 | 110.7 | K126 L163 F164 R174 S178 D181 L182 H185 | K126-Y176 HydrophobicContact CD-CD1 4.3Å; K126-Y176 HydrophobicContact CD-CE1 3.86Å; L163-Y176 WeakPolarHBondContact CA-O 3.39Å; F164-Y176 PolarHBondContact N-O 2.89Å; F164-Y176 PolarHBondContact O-N 3.32Å; R174-Y176 HydrophobicContact CB-CE2 3.62Å; Y176-S178 VanDerWaalsContact C-N 3.26Å; Y176-S178 PolarHBondContact O-N 3.15Å; Y176-D181 HydrophobicContact CD1-CB 3.73Å; Y176-D181 HydrophobicContact CG-CB 4.05Å; Y176-L182 HydrophobicContact CD2-CB 4.18Å; Y176-L182 HydrophobicContact CD2-CD1 4.07Å; Y176-L182 HydrophobicContact CE2-CD1 4.46Å; Y176-L182 HydrophobicContact CG-CB 4.42Å; Y176-H185 HydrophobicContact CD2-CB 4.47Å; Y176-H185 HydrophobicContact CE1-CB 4Å; Y176-H185 HydrophobicContact CE2-CB 3.7Å; Y176-H185 AromaticContact CE2-CD2 3.29Å; Y176-H185 WeakPolarHBondContact CE2-CD2 3.47Å; Y176-H185 AromaticContact CE2-CG 3.58Å; Y176-H185 VanDerWaalsContact CZ-CB 3.42Å; Y176-H185 AromaticContact CZ-CD2 3.72Å; Y176-H185 AromaticContact CZ-CG 3.5Å; Y176-H185 WeakPolarHBondContact OH-CB 3.49Å; Y176-H185 PolarHBondContact OH-ND1 3.38Å |
| 177 | L | 91 | Very high | 90.3 | Very high | 101 Ų | 101 | 71.2 Ų | 71.2 | 53% | 0.529 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -81.3 | -8 | -176.9 | -63 | 170 | 0 | 0 | 0 | 112.6 | L163 | L163-L177 HydrophobicContact CD2-CD2 3.87Š|
| 178 | S | 91 | Very high | 90.4 | Very high | 35 Ų | 35 | 72.9 Ų | 72.9 | 25% | 0.245 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -145.3 | 151.8 | 178.2 | 76.3 | 0 | 0 | 0 | 0 | 111.5 | Y176 R180 D181 L182 | Y176-S178 VanDerWaalsContact C-N 3.26Å; Y176-S178 PolarHBondContact O-N 3.15Å; S178-R180 PolarHBondContact O-N 3.46Å; S178-D181 PolarHBondContact O-N 3.1Å; S178-D181 WeakPolarHBondContact OG-CB 3.5Å; S178-D181 PolarHBondContact OG-N 2.99Å; S178-D181 PolarHBondContact OG-OD2 3.45Å; S178-L182 PolarHBondContact O-N 3.27Å; S178-L182 VanDerWaalsContact O-N 3.1Å |
| 179 | Q | 91.1 | Very high | 90.5 | Very high | 93 Ų | 93 | 76.5 Ų | 76.5 | 44% | 0.435 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.8 | -31.4 | 171.4 | -176.1 | 60.9 | 15.1 | 0 | 0 | 111.8 | F164 L182 Q183 | F164-Q179 HydrophobicContact CD1-CB 4.06Å; F164-Q179 HydrophobicContact CE1-CB 3.94Å; F164-Q179 HydrophobicContact CG-CB 4.49Å; F164-Q179 HydrophobicContact CZ-CB 4.28Å; Q179-L182 PolarHBondContact O-N 2.85Å; Q179-Q183 WeakPolarHBondContact O-CB 3.35Å; Q179-Q183 PolarHBondContact O-N 2.78Å |
| 180 | R | 94.7 | Very high | 90.7 | Very high | 211 Ų | 211 | 74.2 Ų | 74.2 | 80% | 0.796 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.8 | -47.9 | 174.8 | 179.2 | -174.3 | -67.8 | -148 | -0.2 | 111.4 | S178 Q183 A184 | S178-R180 PolarHBondContact O-N 3.46Å; R180-Q183 PolarHBondContact O-N 2.79Å; R180-A184 WeakPolarHBondContact O-CB 3.43Å; R180-A184 PolarHBondContact O-N 3.05Å |
| 181 | D | 93.7 | Very high | 90.9 | Very high | 77 Ų | 77 | 70.7 Ų | 70.7 | 41% | 0.412 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.2 | -37.8 | -179.6 | -67.4 | -46.6 | 0 | 0 | 0 | 111.9 | Y176 S178 H185 | Y176-D181 HydrophobicContact CD1-CB 3.73Å; Y176-D181 HydrophobicContact CG-CB 4.05Å; S178-D181 PolarHBondContact O-N 3.1Å; S178-D181 WeakPolarHBondContact OG-CB 3.5Å; S178-D181 PolarHBondContact OG-N 2.99Å; S178-D181 PolarHBondContact OG-OD2 3.45Å; D181-H185 WeakPolarHBondContact O-CB 3.34Å; D181-H185 PolarHBondContact O-N 3.31Å |
| 182 | L | 93.1 | Very high | 90.2 | Very high | 12 Ų | 12 | 78.5 Ų | 78.5 | 6% | 0.063 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.4 | -48.1 | 171.2 | 172.4 | 58.6 | 0 | 0 | 0 | 110.6 | F164 C166 Y176 S178 Q179 A184 H185 I186 | F164-L182 HydrophobicContact CB-CB 3.99Å; F164-L182 HydrophobicContact CB-CD2 3.77Å; F164-L182 HydrophobicContact CB-CG 4.48Å; C166-L182 HydrophobicContact CB-CD1 3.55Å; Y176-L182 HydrophobicContact CD2-CB 4.18Å; Y176-L182 HydrophobicContact CD2-CD1 4.07Å; Y176-L182 HydrophobicContact CE2-CD1 4.46Å; Y176-L182 HydrophobicContact CG-CB 4.42Å; S178-L182 PolarHBondContact O-N 3.27Å; S178-L182 VanDerWaalsContact O-N 3.1Å; Q179-L182 PolarHBondContact O-N 2.85Å; L182-A184 PolarHBondContact O-N 3.46Å; L182-H185 WeakPolarHBondContact O-CB 3.4Å; L182-H185 PolarHBondContact O-N 3.05Å; L182-H185 VanDerWaalsContact O-N 3.15Å; L182-I186 HydrophobicContact CD1-CD1 3.89Å; L182-I186 HydrophobicContact CD1-CG1 4.07Å; L182-I186 HydrophobicContact CG-CD1 3.86Å; L182-I186 HydrophobicContact CG-CG1 4.47Å; L182-I186 WeakPolarHBondContact O-CG1 3.4Å; L182-I186 PolarHBondContact O-N 3.24Å |
| 183 | Q | 94.1 | Very high | 88.7 | Confident | 79 Ų | 79 | 80.9 Ų | 80.9 | 37% | 0.369 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 179.2 | -167.5 | 62.6 | 49.8 | 0 | 0 | 112.1 | Q179 R180 H185 I186 N187 | Q179-Q183 WeakPolarHBondContact O-CB 3.35Å; Q179-Q183 PolarHBondContact O-N 2.78Å; R180-Q183 PolarHBondContact O-N 2.79Å; Q183-H185 VanDerWaalsContact C-N 3.31Å; Q183-H185 PolarHBondContact O-N 2.68Å; Q183-I186 PolarHBondContact O-N 3.21Å; Q183-N187 PolarHBondContact NE2-OD1 3.34Å; Q183-N187 WeakPolarHBondContact O-CB 3.36Å; Q183-N187 PolarHBondContact O-N 3.07Å; Q183-N187 PolarHBondContact O-OD1 3.47Å |
| 184 | A | 94.9 | Very high | 87 | Confident | 40 Ų | 40 | 79.6 Ų | 79.6 | 33% | 0.331 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R180 L182 N187 H188 | R180-A184 WeakPolarHBondContact O-CB 3.43Å; R180-A184 PolarHBondContact O-N 3.05Å; L182-A184 PolarHBondContact O-N 3.46Å; A184-N187 PolarHBondContact O-N 3.21Å; A184-H188 VanDerWaalsContact O-CB 3.28Å; A184-H188 WeakPolarHBondContact O-CB 3.37Å; A184-H188 PolarHBondContact O-CD2 3.21Å; A184-H188 VanDerWaalsContact O-CG 3.25Å; A184-H188 PolarHBondContact O-N 3.42Å |
| 185 | H | 93.8 | Very high | 84.8 | Confident | 11 Ų | 11 | 84 Ų | 84 | 5% | 0.051 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 173.4 | 161.4 | 46.3 | 0 | 0 | 0 | 112.9 | C166 C172 Y176 D181 L182 Q183 H188 R189 H190 | C166-H185 WeakPolarHBondContact CB-NE2 3.41Å; C166-H185 PolarHBondContact SG-NE2 3.12Å; C166-H185 VanDerWaalsContact SG-NE2 3.38Å; C172-H185 VanDerWaalsContact SG-CE1 3.57Å; C172-H185 PolarHBondContact SG-NE2 3.1Å; Y176-H185 HydrophobicContact CD2-CB 4.47Å; Y176-H185 HydrophobicContact CE1-CB 4Å; Y176-H185 HydrophobicContact CE2-CB 3.7Å; Y176-H185 AromaticContact CE2-CD2 3.29Å; Y176-H185 WeakPolarHBondContact CE2-CD2 3.47Å; Y176-H185 AromaticContact CE2-CG 3.58Å; Y176-H185 VanDerWaalsContact CZ-CB 3.42Å; Y176-H185 AromaticContact CZ-CD2 3.72Å; Y176-H185 AromaticContact CZ-CG 3.5Å; Y176-H185 WeakPolarHBondContact OH-CB 3.49Å; Y176-H185 PolarHBondContact OH-ND1 3.38Å; D181-H185 WeakPolarHBondContact O-CB 3.34Å; D181-H185 PolarHBondContact O-N 3.31Å; L182-H185 WeakPolarHBondContact O-CB 3.4Å; L182-H185 PolarHBondContact O-N 3.05Å; L182-H185 VanDerWaalsContact O-N 3.15Å; Q183-H185 VanDerWaalsContact C-N 3.31Å; Q183-H185 PolarHBondContact O-N 2.68Å; H185-H188 PolarHBondContact O-N 2.7Å; H185-R189 WeakPolarHBondContact O-CB 3.44Å; H185-R189 PolarHBondContact O-N 2.86Å; H185-H190 AromaticContact CE1-NE2 3.51Å; H185-H190 AromaticContact NE2-NE2 3.45Å; H185-H190 PolarHBondContact NE2-NE2 2.96Å |
| 186 | I | 93.8 | Very high | 82.5 | Confident | 14 Ų | 14 | 89.6 Ų | 89.6 | 7% | 0.072 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -58.2 | -49.5 | 177.3 | -68.2 | 167.3 | 0 | 0 | 0 | 110.2 | I168 L182 Q183 H188 H190 M191 | I168-I186 HydrophobicContact CD1-CD1 4.21Å; I168-I186 HydrophobicContact CG1-CB 4.49Å; I168-I186 HydrophobicContact CG1-CD1 3.68Å; I168-I186 HydrophobicContact CG1-CG1 3.72Å; I168-I186 HydrophobicContact CG1-CG2 3.97Å; L182-I186 HydrophobicContact CD1-CD1 3.89Å; L182-I186 HydrophobicContact CD1-CG1 4.07Å; L182-I186 HydrophobicContact CG-CD1 3.86Å; L182-I186 HydrophobicContact CG-CG1 4.47Å; L182-I186 WeakPolarHBondContact O-CG1 3.4Å; L182-I186 PolarHBondContact O-N 3.24Å; Q183-I186 PolarHBondContact O-N 3.21Å; I186-H188 PolarHBondContact O-N 3.08Å; I186-H190 HydrophobicContact CG2-CB 4.48Å; I186-H190 WeakPolarHBondContact O-CA 3.38Å; I186-H190 WeakPolarHBondContact O-CB 3.42Å; I186-H190 PolarHBondContact O-N 3.18Å; I186-M191 HydrophobicContact CG2-CE 4.31Å; I186-M191 HydrophobicContact CG2-CG 4.12Å; I186-M191 PolarHBondContact O-N 3.25Å |
| 187 | N | 93.4 | Very high | 80.3 | Confident | 79 Ų | 79 | 95.1 Ų | 95.1 | 42% | 0.422 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 179.5 | -66.5 | -0.9 | 0 | 0 | 0 | 111.4 | Q183 A184 R192 | Q183-N187 PolarHBondContact NE2-OD1 3.34Å; Q183-N187 WeakPolarHBondContact O-CB 3.36Å; Q183-N187 PolarHBondContact O-N 3.07Å; Q183-N187 PolarHBondContact O-OD1 3.47Å; A184-N187 PolarHBondContact O-N 3.21Å; N187-R192 PolarHBondContact O-N 3.45Å |
| 188 | H | 90.8 | Very high | 77.7 | Confident | 138 Ų | 138 | 96.2 Ų | 96.2 | 64% | 0.639 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -78.7 | -25.7 | -174.5 | -72.4 | -139.6 | 0 | 0 | 0 | 114 | A184 H185 I186 | A184-H188 VanDerWaalsContact O-CB 3.28Å; A184-H188 WeakPolarHBondContact O-CB 3.37Å; A184-H188 PolarHBondContact O-CD2 3.21Å; A184-H188 VanDerWaalsContact O-CG 3.25Å; A184-H188 PolarHBondContact O-N 3.42Å; H185-H188 PolarHBondContact O-N 2.7Å; I186-H188 PolarHBondContact O-N 3.08Å |
| 189 | R | 90.1 | Very high | 75.2 | Confident | 165 Ų | 165 | 105.1 Ų | 105.1 | 62% | 0.623 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -120.7 | -22.2 | -171.3 | -59.7 | -60.2 | -175.6 | 165.2 | -1.5 | 115.2 | H185 | H185-R189 WeakPolarHBondContact O-CB 3.44Å; H185-R189 PolarHBondContact O-N 2.86Å |
| 190 | H | 88.9 | Confident | 72.6 | Confident | 24 Ų | 24 | 105.3 Ų | 105.3 | 11% | 0.111 | 54% | 0.54 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -47.1 | -179.6 | -57.7 | -44.2 | 0 | 0 | 0 | 111.6 | C166 I168 V169 C172 H185 I186 A193 G194 | C166-H190 VanDerWaalsContact SG-CD2 3.5Å; C166-H190 PolarHBondContact SG-NE2 3.07Å; I168-H190 HydrophobicContact CB-CB 4.49Å; I168-H190 HydrophobicContact CG2-CB 3.85Å; V169-H190 HydrophobicContact CG2-CB 4.4Å; V169-H190 VanDerWaalsContact CG2-ND1 3.28Å; V169-H190 WeakPolarHBondContact CG2-ND1 3.49Å; C172-H190 VanDerWaalsContact SG-CE1 3.58Å; C172-H190 PolarHBondContact SG-NE2 3.38Å; C172-H190 VanDerWaalsContact SG-NE2 3.37Å; H185-H190 AromaticContact CE1-NE2 3.51Å; H185-H190 AromaticContact NE2-NE2 3.45Å; H185-H190 PolarHBondContact NE2-NE2 2.96Å; I186-H190 HydrophobicContact CG2-CB 4.48Å; I186-H190 WeakPolarHBondContact O-CA 3.38Å; I186-H190 WeakPolarHBondContact O-CB 3.42Å; I186-H190 PolarHBondContact O-N 3.18Å; H190-A193 PolarHBondContact O-N 2.91Å; H190-G194 PolarHBondContact O-N 3.26Å |
| 191 | M | 82.9 | Confident | 69.7 | Low | 115 Ų | 115 | 100.5 Ų | 100.5 | 57% | 0.567 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -69.3 | -38 | 179.2 | -56.4 | -64 | 90.9 | 0 | 0 | 112.1 | I168 I186 A193 G194 | I168-M191 HydrophobicContact CG2-CE 4.29Å; I186-M191 HydrophobicContact CG2-CE 4.31Å; I186-M191 HydrophobicContact CG2-CG 4.12Å; I186-M191 PolarHBondContact O-N 3.25Å; M191-A193 PolarHBondContact O-N 2.85Å; M191-G194 PolarHBondContact O-N 2.91Å |
| 192 | R | 66.4 | Low | 67.2 | Low | 231 Ų | 231 | 104.9 Ų | 104.9 | 87% | 0.872 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -76.6 | -2.7 | 175.8 | -137.4 | 173.1 | -167.5 | -168.5 | 2.4 | 115 | N187 | N187-R192 PolarHBondContact O-N 3.45Š|
| 193 | A | 57.7 | Low | 64.3 | Low | 71 Ų | 71 | 112.4 Ų | 112.4 | 59% | 0.587 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -108.1 | 6.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H190 M191 K195 | H190-A193 PolarHBondContact O-N 2.91Å; M191-A193 PolarHBondContact O-N 2.85Å; A193-K195 VanDerWaalsContact C-N 3.29Å; A193-K195 PolarHBondContact O-N 3.25Å |
| 194 | G | 50.6 | Low | 61.5 | Low | 60 Ų | 60 | 115.6 Ų | 115.6 | 62% | 0.619 | 62% | 0.616 | S | S | * | * | trans | -72.7 | 67.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | H190 M191 | H190-G194 PolarHBondContact O-N 3.26Å; M191-G194 PolarHBondContact O-N 2.91Å | ||
| 195 | K | 43.1 | Very low | 58.5 | Low | 185 Ų | 185 | 120 Ų | 120 | 80% | 0.804 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -91.2 | 121.2 | 137 | -71.4 | 178.8 | 178.8 | -178.8 | 0 | 105.5 | A193 V197 | A193-K195 VanDerWaalsContact C-N 3.29Å; A193-K195 PolarHBondContact O-N 3.25Å; K195-V197 PolarHBondContact O-N 3.43Å |
| 196 | P | 44 | Very low | 55.8 | Low | 118 Ų | 118 | 126.7 Ų | 126.7 | 77% | 0.766 | 67% | 0.67 | S | S | * | * | trans | -61.5 | 118.6 | 176.2 | 25.6 | -32.2 | 0 | 0 | 0 | 108 | T198 | P196-T198 PolarHBondContact O-N 2.87Š| ||
| 197 | V | 46.2 | Very low | 53.5 | Low | 138 Ų | 138 | 130.4 Ų | 130.4 | 84% | 0.836 | 69% | 0.694 | S | S | * | * | trans | -69.7 | 92.7 | 162.9 | 176.2 | 0 | 0 | 0 | 0 | 105.5 | K195 R199 | K195-V197 PolarHBondContact O-N 3.43Å; V197-R199 PolarHBondContact O-N 3.42Å | ||
| 198 | T | 36.4 | Very low | 50.8 | Low | 125 Ų | 125 | 132.8 Ų | 132.8 | 77% | 0.767 | 71% | 0.714 | S | S | * | * | trans | -50.6 | 123.4 | 167 | -50.4 | 0 | 0 | 0 | 0 | 106.8 | P196 A200 | P196-T198 PolarHBondContact O-N 2.87Å; T198-A200 PolarHBondContact O-N 3.24Å | ||
| 199 | R | 39 | Very low | 48.2 | Very low | 221 Ų | 221 | 133.9 Ų | 133.9 | 83% | 0.834 | 72% | 0.723 | S | S | * | * | trans | -59.4 | 113.4 | -176.4 | -58.1 | 174.2 | 95.1 | 113.2 | -2.5 | 107.9 | V197 S201 | V197-R199 PolarHBondContact O-N 3.42Å; R199-S201 PolarHBondContact O-N 2.89Å; R199-S201 VanDerWaalsContact O-N 3.12Å | ||
| 200 | A | 35.9 | Very low | 45.6 | Very low | 98 Ų | 98 | 130 Ų | 130 | 81% | 0.81 | 73% | 0.726 | S | S | * | * | trans | -59.3 | 114.8 | 150.1 | 0 | 0 | 0 | 0 | 0 | 105.3 | T198 L202 | T198-A200 PolarHBondContact O-N 3.24Å; A200-L202 PolarHBondContact O-N 2.91Å | ||
| 201 | S | 35.6 | Very low | 43.3 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -58.9 | 135.7 | 176.5 | -167.3 | 0 | 0 | 0 | 0 | 108.2 | R199 E203 | R199-S201 PolarHBondContact O-N 2.89Å; R199-S201 VanDerWaalsContact O-N 3.12Å; S201-E203 PolarHBondContact O-N 3.33Å | ||
| 202 | L | 40.2 | Very low | 41.3 | Very low | 169 Ų | 169 | 134.3 Ų | 134.3 | 89% | 0.885 | 77% | 0.765 | S | S | * | * | trans | -65.6 | 103.5 | 166.1 | -98.7 | 157.1 | 0 | 0 | 0 | 106.9 | A200 N204 | A200-L202 PolarHBondContact O-N 2.91Å; L202-N204 PolarHBondContact O-N 3.48Å | ||
| 203 | E | 31.9 | Very low | 40.1 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | -66 | 131.2 | 169.2 | -168.7 | 137.8 | 114 | 0 | 0 | 108.8 | S201 V205 | S201-E203 PolarHBondContact O-N 3.33Å; E203-V205 PolarHBondContact O-N 3.44Å | ||
| 204 | N | 34.9 | Very low | 39.3 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | trans | -75.3 | 92.1 | -174.4 | -175.6 | 49.3 | 0 | 0 | 0 | 109.7 | L202 H206 | L202-N204 PolarHBondContact O-N 3.48Å; N204-H206 PolarHBondContact O-N 2.97Å | ||
| 205 | V | 32.7 | Very low | 38.5 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | -70.4 | 92.3 | 179.8 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | E203 | E203-V205 PolarHBondContact O-N 3.44Š| ||
| 206 | H | 37.8 | Very low | 38.4 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | trans | -81.9 | 130.6 | 165.1 | -159.8 | -99 | 0 | 0 | 0 | 108.9 | N204 P208 | N204-H206 PolarHBondContact O-N 2.97Å; H206-P208 WeakPolarHBondContact O-CD 3.4Å | ||
| 207 | P | 44.3 | Very low | 38.7 | Very low | 91 Ų | 91 | 135.5 Ų | 135.5 | 59% | 0.591 | 78% | 0.778 | S | S | * | * | trans | -77.1 | 128.5 | 179.4 | 29.7 | -32.6 | 0 | 0 | 0 | 111.1 | I209 | P207-I209 PolarHBondContact O-N 2.95Š| ||
| 208 | P | 37.1 | Very low | 38.1 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 84% | 0.844 | 77% | 0.772 | S | S | * | * | trans | -78.6 | 109.1 | 169.2 | -11 | 28.5 | 0 | 0 | 0 | 110 | H206 | H206-P208 WeakPolarHBondContact O-CD 3.4Š| ||
| 209 | I | 35.6 | Very low | 38 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 134.4 | 164 | -68.1 | 169.8 | 0 | 0 | 0 | 107.8 | P207 | P207-I209 PolarHBondContact O-N 2.95Š|
| 210 | A | 36.1 | Very low | 37.6 | Very low | 83 Ų | 83 | 138.3 Ų | 138.3 | 69% | 0.686 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 148.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 211 | P | 39.8 | Very low | 37.6 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 150.5 | 166.7 | 32.9 | -33.3 | 0 | 0 | 0 | 111.1 | ||
| 212 | P | 42.1 | Very low | 37.4 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -79 | 160.5 | -179.3 | 33.8 | -36 | 0 | 0 | 0 | 112.5 | ||
| 213 | P | 41.8 | Very low | 38.2 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 152.3 | 173.2 | 33.3 | -34.4 | 0 | 0 | 0 | 111.3 | ||
| 214 | T | 39 | Very low | 39.3 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | trans | -138.5 | 138.2 | 161.8 | -43.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 215 | E | 34.2 | Very low | 39.1 | Very low | 166 Ų | 166 | 135.8 Ų | 135.8 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | -94.1 | 174.7 | -158.6 | -55.2 | -170.5 | 129 | 0 | 0 | 115 | ||||
| 216 | I | 42 | Very low | 39.2 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | trans | 78.6 | 145.3 | 150.8 | 53.9 | 174.2 | 0 | 0 | 0 | 121.7 | ||||
| 217 | P | 50.4 | Low | 39.1 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | trans | -140.3 | 160.4 | -141.4 | 40.4 | -20.5 | 0 | 0 | 0 | 117.2 | ||||
| 218 | E | 33.1 | Very low | 39 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | -145.3 | 100.7 | 168.8 | -133.5 | 88.1 | -124.3 | 0 | 0 | 115.2 | ||||
| 219 | R | 35.1 | Very low | 38.8 | Very low | 201 Ų | 201 | 142.1 Ų | 142.1 | 76% | 0.758 | 75% | 0.748 | S | S | * | * | trans | 32.7 | 130 | 133.5 | -62.1 | 177.8 | -113.8 | -168.1 | -3.8 | 122.1 | ||||
| 220 | F | 29.5 | Very low | 38.7 | Very low | 191 Ų | 191 | 140 Ų | 140 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | trans | 70.5 | 112.3 | 136.3 | -95.2 | -101.1 | 0 | 0 | 0 | 120.8 | ||||
| 221 | I | 35.2 | Very low | 38.9 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 82% | 0.821 | 76% | 0.757 | S | S | * | * | 166 | 139.6 | 114.5 | -84.6 | 152.6 | 0 | 0 | 0 | 111.7 | |||||
| 222 | M | 33.2 | Very low | 38.8 | Very low | 170 Ų | 170 | 147.4 Ų | 147.4 | 84% | 0.837 | 76% | 0.761 | S | S | * | * | trans | -141.7 | 169.8 | 163.2 | -114.8 | -140.1 | 142.5 | 0 | 0 | 106.7 | ||||
| 223 | P | 55.7 | Low | 39 | Very low | 97 Ų | 97 | 147.1 Ų | 147.1 | 63% | 0.63 | 76% | 0.759 | S | S | * | * | cis | -123.3 | -137.3 | -40.4 | 38.5 | -18.8 | 0 | 0 | 0 | 107.1 | ||||
| 224 | P | 55 | Low | 39.2 | Very low | 95 Ų | 95 | 147.5 Ų | 147.5 | 62% | 0.617 | 76% | 0.762 | S | S | * | * | cis | -129.7 | -154.5 | -24.3 | 31 | -7.4 | 0 | 0 | 0 | 112.4 | ||||
| 225 | D | 31.4 | Very low | 39 | Very low | 117 Ų | 117 | 150.4 Ų | 150.4 | 63% | 0.626 | 76% | 0.762 | S | S | * | * | trans | 79.1 | 137.8 | 140 | -90.2 | -10.4 | 0 | 0 | 0 | 118.9 | ||||
| 226 | K | 34.6 | Very low | 39.2 | Very low | 161 Ų | 161 | 150.6 Ų | 150.6 | 70% | 0.7 | 76% | 0.763 | S | S | * | * | cis | -150.2 | 142.1 | 5.9 | -58.5 | -167.4 | 171.7 | 174.4 | 0 | 113.1 | ||||
| 227 | H | 36.1 | Very low | 39 | Very low | 142 Ų | 142 | 151.3 Ų | 151.3 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | trans | 53.6 | 125.3 | 138.3 | -65.9 | -137.2 | 0 | 0 | 0 | 120.8 | ||||
| 228 | H | 41.2 | Very low | 38.3 | Very low | 192 Ų | 192 | 154.1 Ų | 154.1 | 89% | 0.889 | 77% | 0.77 | S | S | * | * | -152.4 | 159.3 | 106.2 | -99.9 | 82.4 | 0 | 0 | 0 | 110 | |||||
| 229 | M | 34.4 | Very low | 38.4 | Very low | 143 Ų | 143 | 154.6 Ų | 154.6 | 70% | 0.704 | 78% | 0.775 | S | S | * | * | trans | -106.6 | 165.2 | -161.2 | -62.5 | -78.9 | 98.3 | 0 | 0 | 114.3 | ||||
| 230 | S | 32.9 | Very low | 38.4 | Very low | 118 Ų | 118 | 153 Ų | 153 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | 110.1 | 128.2 | 144.9 | -57 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 231 | H | 39.4 | Very low | 39.2 | Very low | 189 Ų | 189 | 148.7 Ų | 148.7 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | trans | -89.9 | 149.3 | -170.8 | -65.5 | -109.4 | 0 | 0 | 0 | 114.1 | ||||
| 232 | I | 37.6 | Very low | 39.7 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | trans | -140.7 | 134.2 | 150.7 | -56 | -178.2 | 0 | 0 | 0 | 108.2 | ||||
| 233 | P | 47.8 | Very low | 40.2 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -98 | 159.9 | -173.2 | 37.8 | -35.7 | 0 | 0 | 0 | 114.3 | ||
| 234 | P | 45 | Very low | 39.7 | Very low | 130 Ų | 130 | 145.7 Ų | 145.7 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 131.8 | 167.1 | 30.8 | -30.6 | 0 | 0 | 0 | 111.4 | ||
| 235 | K | 34.7 | Very low | 39 | Very low | 202 Ų | 202 | 149.6 Ų | 149.6 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 166.7 | -179.2 | -116.9 | 174.5 | -179.3 | 175.6 | 0 | 112.9 | ||
| 236 | Q | 39 | Very low | 39.1 | Very low | 169 Ų | 169 | 152.7 Ų | 152.7 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 152.7 | -164.1 | -64.5 | 153.8 | -65.4 | 0 | 0 | 114.7 | ||
| 237 | H | 37.5 | Very low | 39.1 | Very low | 171 Ų | 171 | 154.5 Ų | 154.5 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | 46.2 | 133.2 | 144.1 | -75.7 | -115.4 | 0 | 0 | 0 | 121.8 | ||||
| 238 | I | 35.9 | Very low | 39 | Very low | 164 Ų | 164 | 154.5 Ų | 154.5 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | -163.3 | 140.2 | 122.6 | -93.1 | 143.2 | 0 | 0 | 0 | 108.9 | |||||
| 239 | M | 35.1 | Very low | 39 | Very low | 162 Ų | 162 | 150.5 Ų | 150.5 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | trans | -134.7 | 132 | 174.9 | -73.7 | -106.1 | 73.1 | 0 | 0 | 109.1 | ||||
| 240 | M | 35.3 | Very low | 38.9 | Very low | 167 Ų | 167 | 152.4 Ų | 152.4 | 82% | 0.823 | 82% | 0.816 | S | S | * | * | trans | -159.9 | 166 | 168.6 | -98 | -60.7 | 80.8 | 0 | 0 | 110.3 | ||||
| 241 | P | 45.8 | Very low | 38.9 | Very low | 100 Ų | 100 | 155 Ų | 155 | 65% | 0.649 | 82% | 0.815 | S | S | * | * | trans | -128.8 | 179.6 | -130.8 | 41.7 | -24.6 | 0 | 0 | 0 | 115.5 | ||||
| 242 | P | 46.9 | Very low | 39 | Very low | 120 Ų | 120 | 154.5 Ų | 154.5 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 164.1 | 174.3 | 34.8 | -34.9 | 0 | 0 | 0 | 114.6 | ||
| 243 | P | 42 | Very low | 38.6 | Very low | 123 Ų | 123 | 157.1 Ų | 157.1 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 167 | -167.3 | 35.7 | -37.6 | 0 | 0 | 0 | 115.9 | ||
| 244 | P | 45.5 | Very low | 37.7 | Very low | 122 Ų | 122 | 157.7 Ų | 157.7 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 160.8 | -165 | 38.1 | -36 | 0 | 0 | 0 | 116.1 | ||
| 245 | L | 40.4 | Very low | 37.3 | Very low | 176 Ų | 176 | 158.6 Ų | 158.6 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -104.1 | 149.9 | 161.8 | -73 | 174.3 | 0 | 0 | 0 | 110.7 | ||||
| 246 | Q | 34.2 | Very low | 37.7 | Very low | 183 Ų | 183 | 155 Ų | 155 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -86.9 | 132.8 | -167.8 | -61.7 | 171.9 | -8.8 | 0 | 0 | 113.2 | ||||
| 247 | H | 34.2 | Very low | 37.9 | Very low | 199 Ų | 199 | 152.9 Ų | 152.9 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -142 | 147.3 | 152.7 | -82.6 | 141 | 0 | 0 | 0 | 109.8 | ||||
| 248 | V | 33.4 | Very low | 37.6 | Very low | 141 Ų | 141 | 153 Ų | 153 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -106.9 | 151 | -169.6 | 166 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 249 | P | 41.9 | Very low | 37.6 | Very low | 109 Ų | 109 | 150.9 Ų | 150.9 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | trans | -101.3 | 175.7 | -133.2 | 38.7 | -38.9 | 0 | 0 | 0 | 116.8 | ||||
| 250 | H | 33.4 | Very low | 37.7 | Very low | 183 Ų | 183 | 149.8 Ų | 149.8 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | trans | -129.7 | 142.9 | 163.9 | -156.2 | 54.3 | 0 | 0 | 0 | 109.9 | ||||
| 251 | E | 32.3 | Very low | 37.4 | Very low | 173 Ų | 173 | 153.7 Ų | 153.7 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | trans | -79.2 | 161.9 | -161.6 | -70 | -74.4 | 99.7 | 0 | 0 | 115.1 | ||||
| 252 | H | 40.5 | Very low | 36.9 | Very low | 178 Ų | 178 | 153 Ų | 153 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -109.3 | 144.3 | -176.1 | -85.8 | 47.3 | 0 | 0 | 0 | 114 | ||||
| 253 | Y | 29.3 | Very low | 37.3 | Very low | 221 Ų | 221 | 153 Ų | 153 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -175.5 | 140.5 | 145.8 | -125.6 | -120.6 | 0 | 0 | 0 | 108.8 | ||||
| 254 | N | 30.2 | Very low | 37.3 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 63% | 0.631 | 79% | 0.788 | S | S | * | * | cis | -160.1 | -165.1 | -21 | -146.6 | -35.5 | 0 | 0 | 0 | 110.2 | ||||
| 255 | Q | 36.5 | Very low | 36.9 | Very low | 150 Ų | 150 | 151.4 Ų | 151.4 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -128.6 | 168.1 | 176.1 | -90.3 | -72 | -30.9 | 0 | 0 | 108.6 | ||||
| 256 | P | 43.5 | Very low | 36.6 | Very low | 125 Ų | 125 | 150.8 Ų | 150.8 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | cis | -144.9 | -177.6 | 48.8 | 39.7 | -16.6 | 0 | 0 | 0 | 118.9 | ||||
| 257 | H | 42.3 | Very low | 36.5 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 58% | 0.583 | 77% | 0.77 | S | S | * | * | trans | -84 | 159.5 | -176.1 | -176.1 | -98.2 | 0 | 0 | 0 | 113.3 | D259 | H257-D259 IonicContact CE1-OD2 2.74Š| ||
| 258 | E | 32 | Very low | 36.4 | Very low | 174 Ų | 174 | 143.9 Ų | 143.9 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | -168.5 | 147.2 | 130.3 | -88.4 | -44.5 | 66.7 | 0 | 0 | 114.3 | ||||
| 259 | D | 35.1 | Very low | 36.4 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 63% | 0.631 | 76% | 0.761 | S | S | * | * | trans | -65.6 | 177.2 | -168.9 | -123.7 | -62.8 | 0 | 0 | 0 | 121.3 | H257 | H257-D259 IonicContact CE1-OD2 2.74Š| ||
| 260 | I | 36.8 | Very low | 36.1 | Very low | 140 Ų | 140 | 145.5 Ų | 145.5 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | trans | 85.4 | 110.9 | 148 | -68.7 | 154.5 | 0 | 0 | 0 | 123.1 | ||||
| 261 | R | 30.3 | Very low | 36.6 | Very low | 248 Ų | 248 | 142.9 Ų | 142.9 | 94% | 0.936 | 76% | 0.764 | S | S | * | * | trans | 80.4 | 165.3 | 137.3 | -145.6 | 166 | -161.1 | 158.9 | 5.3 | 121.7 | ||||
| 262 | A | 35.1 | Very low | 37.4 | Very low | 86 Ų | 86 | 140.2 Ų | 140.2 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | -103 | -178.7 | -154.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 263 | P | 55.3 | Low | 37.6 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | -92.6 | 174.9 | -143 | 39.8 | -42 | 0 | 0 | 0 | 116.3 | ||||
| 264 | P | 42.3 | Very low | 38.2 | Very low | 129 Ų | 129 | 133 Ų | 133 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | -133.4 | 167.8 | 129.9 | 37.5 | -26.5 | 0 | 0 | 0 | 114.1 | |||||
| 265 | A | 35.1 | Very low | 38.7 | Very low | 83 Ų | 83 | 139.4 Ų | 139.4 | 69% | 0.686 | 77% | 0.774 | S | S | * | * | trans | -90.8 | 162 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 266 | E | 35 | Very low | 38.5 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | 162.7 | 145.6 | 122.9 | -91.5 | -63.7 | 92.3 | 0 | 0 | 115.3 | |||||
| 267 | L | 33 | Very low | 38.1 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | 81.7 | 117.9 | 149.9 | -65 | 156.5 | 0 | 0 | 0 | 124.4 | ||||
| 268 | S | 31.6 | Very low | 37.7 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | 102.3 | 97.2 | 128.8 | -69.5 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 269 | M | 34 | Very low | 37.8 | Very low | 187 Ų | 187 | 138 Ų | 138 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | 64.2 | 118.2 | 126.4 | -56 | -156 | -152.6 | 0 | 0 | 124 | |||||
| 270 | A | 34.3 | Very low | 37.9 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -160.4 | 160.5 | 144.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 271 | P | 43.2 | Very low | 37.8 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -93.4 | 176.1 | -155 | -7.5 | 28.4 | 0 | 0 | 0 | 117.9 | ||||
| 272 | P | 50.8 | Low | 38.2 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 163.1 | -163.7 | 39.9 | -36.4 | 0 | 0 | 0 | 116.5 | ||
| 273 | P | 43.8 | Very low | 38.4 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -86 | 161.2 | 160.2 | 35.4 | -32.5 | 0 | 0 | 0 | 112.5 | ||
| 274 | P | 42.2 | Very low | 37.7 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 155.8 | -166.9 | 31.2 | -36.5 | 0 | 0 | 0 | 114.8 | ||
| 275 | R | 40.6 | Very low | 37.5 | Very low | 252 Ų | 252 | 144.5 Ų | 144.5 | 95% | 0.951 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 143.1 | 174.4 | -69 | 177 | 163.3 | -163.3 | -5.3 | 111.8 | ||
| 276 | S | 32.6 | Very low | 37.7 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -133 | 108.1 | 150.1 | 47.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 277 | V | 35.8 | Very low | 37.9 | Very low | 136 Ų | 136 | 150.1 Ų | 150.1 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | 32.4 | 124.7 | 147.3 | -165 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 278 | S | 32.8 | Very low | 38.5 | Very low | 96 Ų | 96 | 151.5 Ų | 151.5 | 67% | 0.671 | 81% | 0.807 | S | S | * | * | trans | -47.4 | 146.9 | 169.3 | 51.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 279 | Q | 35 | Very low | 39.3 | Very low | 202 Ų | 202 | 155.7 Ų | 155.7 | 94% | 0.944 | 82% | 0.816 | S | S | * | * | -137 | 149.2 | 121.7 | -109.3 | 175.8 | 41.3 | 0 | 0 | 110.5 | |||||
| 280 | E | 35.6 | Very low | 39.7 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -109.5 | 161 | -161.4 | -168.7 | 166.5 | 123.1 | 0 | 0 | 111.7 | ||||
| 281 | T | 36.5 | Very low | 40.3 | Very low | 98 Ų | 98 | 154.6 Ų | 154.6 | 60% | 0.601 | 81% | 0.807 | S | S | * | * | trans | 68.9 | 142.6 | 164.3 | 24.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 282 | F | 37.3 | Very low | 40.9 | Very low | 189 Ų | 189 | 155 Ų | 155 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | cis | -130.4 | 155.7 | 3.9 | -83.6 | -86.4 | 0 | 0 | 0 | 111.9 | ||||
| 283 | R | 39.4 | Very low | 40.6 | Very low | 247 Ų | 247 | 157.1 Ų | 157.1 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | trans | -89.1 | 134.8 | 168.8 | -65.6 | -175.5 | 178.7 | -169.9 | 1 | 110.9 | ||||
| 284 | I | 40.5 | Very low | 40.7 | Very low | 160 Ų | 160 | 157.4 Ų | 157.4 | 82% | 0.821 | 81% | 0.805 | S | S | * | * | trans | -126.5 | 128.4 | 157 | -60.1 | -178.5 | 0 | 0 | 0 | 108.6 | ||||
| 285 | S | 38 | Very low | 40.9 | Very low | 115 Ų | 115 | 156.3 Ų | 156.3 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -104.1 | 118.8 | -178.5 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 286 | T | 39.3 | Very low | 41.1 | Very low | 128 Ų | 128 | 149.8 Ų | 149.8 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -137.4 | 87.2 | 164.9 | 45.3 | 0 | 0 | 0 | 0 | 112.5 | K288 | T286-K288 PolarHBondContact O-N 2.87Š| ||
| 287 | R | 39.9 | Very low | 41.5 | Very low | 237 Ų | 237 | 151.9 Ų | 151.9 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | trans | 21.9 | 85.1 | 135 | -161.3 | 173.1 | -170.3 | -101.6 | 7.3 | 118.1 | ||||
| 288 | K | 45.3 | Very low | 41.3 | Very low | 172 Ų | 172 | 153.9 Ų | 153.9 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 43.2 | 130 | 136.7 | -56.6 | -173.4 | 174.5 | -177.4 | 0 | 120.4 | T286 | T286-K288 PolarHBondContact O-N 2.87Š|
| 289 | H | 49.5 | Very low | 41.3 | Very low | 183 Ų | 183 | 155.5 Ų | 155.5 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | trans | 85.2 | 68.2 | 160.6 | -39 | -63.7 | 0 | 0 | 0 | 117.6 | ||||
| 290 | S | 41.8 | Very low | 41.4 | Very low | 91 Ų | 91 | 153.6 Ų | 153.6 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | -143.3 | 115.3 | 162 | 174.4 | 0 | 0 | 0 | 0 | 109.7 | L292 | S290-L292 VanDerWaalsContact C-N 3.29Å; S290-L292 PolarHBondContact O-N 3.24Å | ||
| 291 | N | 47.1 | Very low | 41.5 | Very low | 169 Ų | 169 | 150.3 Ų | 150.3 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | trans | -89.7 | 61.7 | 176.5 | -71 | -17.7 | 0 | 0 | 0 | 110.6 | ||||
| 292 | L | 54.7 | Low | 41.3 | Very low | 137 Ų | 137 | 153.2 Ų | 153.2 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | trans | -90.6 | 118.8 | 165.6 | -99.4 | 73.8 | 0 | 0 | 0 | 109.5 | S290 T294 | S290-L292 VanDerWaalsContact C-N 3.29Å; S290-L292 PolarHBondContact O-N 3.24Å; L292-T294 PolarHBondContact O-N 3.18Å | ||
| 293 | I | 44.8 | Very low | 41.2 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -80.5 | 97.4 | 168.2 | -64.5 | 169.2 | 0 | 0 | 0 | 107.1 | V295 | I293-V295 HydrophobicContact CG2-CG2 4.26Š| ||
| 294 | T | 45.8 | Very low | 40.9 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -92.1 | 111.7 | 169.5 | -50.8 | 0 | 0 | 0 | 0 | 108.4 | L292 | L292-T294 PolarHBondContact O-N 3.18Š| ||
| 295 | V | 46.2 | Very low | 40.7 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 67% | 0.667 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 124.8 | 173.5 | -173.8 | 0 | 0 | 0 | 0 | 108.2 | I293 I297 | I293-V295 HydrophobicContact CG2-CG2 4.26Å; V295-I297 PolarHBondContact O-N 2.84Å |
| 296 | P | 44.3 | Very low | 40.5 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 124 | 171.5 | -17.8 | 31.6 | 0 | 0 | 0 | 110 | ||
| 297 | I | 41.1 | Very low | 40.1 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 117.6 | 163.8 | -59.6 | 174.5 | 0 | 0 | 0 | 105.7 | V295 D299 | V295-I297 PolarHBondContact O-N 2.84Å; I297-D299 PolarHBondContact O-N 3.41Å |
| 298 | Q | 33 | Very low | 40.1 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 123.6 | 168.2 | -72.5 | 176 | -71 | 0 | 0 | 108.2 | ||
| 299 | D | 33.1 | Very low | 40.6 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | trans | -101.6 | 106 | 173.6 | -168.3 | -91.1 | 0 | 0 | 0 | 108.3 | I297 S301 | I297-D299 PolarHBondContact O-N 3.41Å; D299-S301 VanDerWaalsContact C-N 3.3Å; D299-S301 PolarHBondContact O-N 3.29Å; D299-S301 VanDerWaalsContact O-N 3.09Å; D299-S301 VanDerWaalsContact OD1-CB 3.23Å; D299-S301 WeakPolarHBondContact OD1-CB 3.28Å; D299-S301 PolarHBondContact OD1-OG 3.29Å | ||
| 300 | D | 35.5 | Very low | 40.4 | Very low | 162 Ų | 162 | 133.5 Ų | 133.5 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | trans | -81.9 | 74.5 | 175.9 | -92.7 | -70.9 | 0 | 0 | 0 | 110.3 | ||||
| 301 | S | 38.4 | Very low | 40.6 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | trans | -107.9 | 88.2 | 173 | -72.1 | 0 | 0 | 0 | 0 | 111.3 | D299 | D299-S301 VanDerWaalsContact C-N 3.3Å; D299-S301 PolarHBondContact O-N 3.29Å; D299-S301 VanDerWaalsContact O-N 3.09Å; D299-S301 VanDerWaalsContact OD1-CB 3.23Å; D299-S301 WeakPolarHBondContact OD1-CB 3.28Å; D299-S301 PolarHBondContact OD1-OG 3.29Å | ||
| 302 | N | 31.9 | Very low | 40.1 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | -75.7 | 137 | 170.9 | -172.3 | 23.3 | 0 | 0 | 0 | 111.3 | ||||
| 303 | S | 36.5 | Very low | 39.5 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -87.8 | 143.3 | -169.6 | 55.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 304 | G | 32.6 | Very low | 39.1 | Very low | 84 Ų | 84 | 127.9 Ų | 127.9 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | trans | -157.3 | 138.4 | 165 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 305 | A | 34.9 | Very low | 39.1 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | trans | -127.5 | 166.6 | -162.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 306 | R | 33.9 | Very low | 38.5 | Very low | 223 Ų | 223 | 126.3 Ų | 126.3 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | trans | 69.8 | 154.8 | 172.5 | -56.9 | 171.6 | 97.5 | 149.3 | 5.1 | 114.6 | ||||
| 307 | E | 31.9 | Very low | 38 | Very low | 145 Ų | 145 | 128.1 Ų | 128.1 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | cis | -156.7 | 167.7 | -9.3 | -121.2 | 170 | 61.2 | 0 | 0 | 107.3 | ||||
| 308 | P | 40.4 | Very low | 37.6 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | -103.6 | -178.4 | -175 | 44.4 | -37.4 | 0 | 0 | 0 | 114.1 | ||||
| 309 | P | 55.3 | Low | 37.7 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | -94.5 | 178.4 | -118.2 | 42.8 | -27.8 | 0 | 0 | 0 | 116.3 | |||||
| 310 | P | 45.3 | Very low | 38.8 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | -150.1 | -147.4 | 105.6 | 38.5 | -15.8 | 0 | 0 | 0 | 114.9 | |||||
| 311 | P | 46.8 | Very low | 38.5 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | -112.5 | 179.9 | -110.4 | 37 | -17.8 | 0 | 0 | 0 | 117.1 | |||||
| 312 | A | 36.6 | Very low | 38.3 | Very low | 91 Ų | 91 | 130.3 Ų | 130.3 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | -76.2 | 170.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 313 | P | 41.7 | Very low | 38.4 | Very low | 130 Ų | 130 | 131 Ų | 131 | 84% | 0.844 | 76% | 0.764 | S | S | * | * | -142.9 | 171.3 | 99.1 | 36.9 | -21.1 | 0 | 0 | 0 | 116.9 | |||||
| 314 | A | 35.5 | Very low | 38.3 | Very low | 92 Ų | 92 | 128.9 Ų | 128.9 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | trans | -88.9 | -163.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 315 | P | 46.8 | Very low | 38.4 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | cis | -125.1 | -169 | 11.9 | 38 | -15 | 0 | 0 | 0 | 112.8 | ||||
| 316 | A | 32.7 | Very low | 39.1 | Very low | 80 Ų | 80 | 134.7 Ų | 134.7 | 66% | 0.661 | 76% | 0.758 | S | S | * | * | cis | -167.7 | 137 | 38.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 317 | H | 35 | Very low | 39.3 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 70% | 0.704 | 76% | 0.757 | S | S | * | * | trans | 46.1 | 122.7 | 132.7 | -51.5 | -70 | 0 | 0 | 0 | 123.4 | ||||
| 318 | H | 32.8 | Very low | 39.9 | Very low | 185 Ų | 185 | 129.6 Ų | 129.6 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | 176.4 | 174.7 | 91 | -87.7 | -63.8 | 0 | 0 | 0 | 112.5 | |||||
| 319 | H | 34.2 | Very low | 39.4 | Very low | 165 Ų | 165 | 128.9 Ų | 128.9 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | -117.2 | 158.4 | -146.5 | -170.9 | -89.7 | 0 | 0 | 0 | 114.9 | ||||
| 320 | P | 56.1 | Low | 38.6 | Very low | 99 Ų | 99 | 131 Ų | 131 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | trans | -98.2 | 169.4 | -178.9 | 38.9 | -39 | 0 | 0 | 0 | 116 | ||||
| 321 | E | 30.3 | Very low | 38.3 | Very low | 153 Ų | 153 | 131 Ų | 131 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | trans | -176.6 | 170.7 | 157.6 | -106.9 | 170 | 2.7 | 0 | 0 | 108.1 | ||||
| 322 | Y | 33.3 | Very low | 38 | Very low | 169 Ų | 169 | 133.6 Ų | 133.6 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | cis | -153.2 | 159.5 | 0.6 | -133.3 | -59.4 | 0 | 0 | 0 | 110.2 | ||||
| 323 | Q | 33.2 | Very low | 38.3 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | 50.4 | 122.6 | 147.9 | -98.3 | 162.1 | 8.7 | 0 | 0 | 123.5 | ||||
| 324 | G | 34.3 | Very low | 38.4 | Very low | 68 Ų | 68 | 138.7 Ų | 138.7 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | 106.8 | 120.7 | 109 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 325 | Q | 36.1 | Very low | 39.1 | Very low | 187 Ų | 187 | 141.6 Ų | 141.6 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | 81.1 | 147.8 | 154.2 | -60.2 | -61 | -29.5 | 0 | 0 | 120.7 | ||||
| 326 | P | 48.4 | Very low | 38.9 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -98.9 | 146.1 | -174.6 | 38.2 | -32.4 | 0 | 0 | 0 | 113.3 | ||||
| 327 | V | 38.8 | Very low | 39.6 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -117.5 | 122.2 | 170.6 | 167.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 328 | V | 44.5 | Very low | 40.2 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | -77.6 | 127.6 | 166.5 | 171.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 329 | S | 30.7 | Very low | 40.5 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | trans | -124.9 | 133.2 | 166.5 | 49.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 330 | H | 36.8 | Very low | 40.9 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 142.8 | -173.3 | -74.1 | 56.6 | 0 | 0 | 0 | 111.3 | H332 | H330-H332 PolarHBondContact O-N 3.34Š|
| 331 | P | 40 | Very low | 40.2 | Very low | 123 Ų | 123 | 147.4 Ų | 147.4 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 126.8 | 169.2 | -18.9 | 32.5 | 0 | 0 | 0 | 111.4 | ||
| 332 | H | 39.6 | Very low | 41.3 | Very low | 180 Ų | 180 | 144.2 Ų | 144.2 | 83% | 0.833 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 138.6 | 170.5 | -79.9 | -105.3 | 0 | 0 | 0 | 111.2 | H330 I334 | H330-H332 PolarHBondContact O-N 3.34Å; H332-I334 PolarHBondContact O-N 2.92Å |
| 333 | H | 43.8 | Very low | 42.7 | Very low | 177 Ų | 177 | 141.7 Ų | 141.7 | 82% | 0.819 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 121.2 | 171.8 | -65.8 | -83.4 | 0 | 0 | 0 | 111 | ||
| 334 | I | 42.7 | Very low | 43.8 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 127 | 157.1 | -106.7 | 64.5 | 0 | 0 | 0 | 107.7 | H332 | H332-I334 PolarHBondContact O-N 2.92Š|
| 335 | M | 51.6 | Low | 45.1 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 139.3 | 172.4 | -70.6 | -85.2 | 89.9 | 0 | 0 | 110.2 | ||
| 336 | P | 42.8 | Very low | 46.6 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 138 | 169.7 | 31.3 | -32.5 | 0 | 0 | 0 | 110.5 | Q338 | P336-Q338 PolarHBondContact O-N 3.23Š|
| 337 | P | 47.3 | Very low | 47.3 | Very low | 109 Ų | 109 | 138 Ų | 138 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 128 | 176.8 | 28 | -33.1 | 0 | 0 | 0 | 111.6 | Q339 | P337-Q339 PolarHBondContact O-N 3.16Š|
| 338 | Q | 46.1 | Very low | 48.4 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -58 | 104.8 | 174.4 | -83.7 | -77.7 | 13.9 | 0 | 0 | 112 | P336 H340 | P336-Q338 PolarHBondContact O-N 3.23Å; Q338-H340 PolarHBondContact O-N 3.27Å; Q338-H340 VanDerWaalsContact O-N 3.08Å; Q338-H340 PolarHBondContact O-ND1 3.27Å | ||
| 339 | Q | 41 | Very low | 49.2 | Very low | 152 Ų | 152 | 136.3 Ų | 136.3 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | trans | -75.5 | 91.8 | 171.1 | -67.5 | -65.5 | -62.3 | 0 | 0 | 109.6 | P337 Y341 | P337-Q339 PolarHBondContact O-N 3.16Å; Q339-Y341 PolarHBondContact O-N 2.87Å | ||
| 340 | H | 42.4 | Very low | 50.1 | Low | 169 Ų | 169 | 137.5 Ų | 137.5 | 78% | 0.782 | 76% | 0.763 | S | S | * | * | trans | -68.6 | 111.7 | 171.3 | -71.4 | 71.6 | 0 | 0 | 0 | 109.2 | Q338 A342 | Q338-H340 PolarHBondContact O-N 3.27Å; Q338-H340 VanDerWaalsContact O-N 3.08Å; Q338-H340 PolarHBondContact O-ND1 3.27Å; H340-A342 PolarHBondContact O-N 3.19Å | ||
| 341 | Y | 40.4 | Very low | 50.5 | Low | 224 Ų | 224 | 136.1 Ų | 136.1 | 88% | 0.878 | 76% | 0.76 | S | S | * | * | trans | -68.4 | 113.6 | 170.8 | -85.7 | -96 | 0 | 0 | 0 | 109.7 | Q339 | Q339-Y341 PolarHBondContact O-N 2.87Š| ||
| 342 | A | 52.9 | Low | 50.6 | Low | 86 Ų | 86 | 135.7 Ų | 135.7 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 139.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | H340 | H340-A342 PolarHBondContact O-N 3.19Š|
| 343 | P | 63.3 | Low | 50.7 | Low | 115 Ų | 115 | 134.8 Ų | 134.8 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 153.5 | 174.4 | 28.6 | -34.2 | 0 | 0 | 0 | 111.2 | ||
| 344 | P | 56.2 | Low | 50.7 | Low | 116 Ų | 116 | 132 Ų | 132 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 148.4 | -179.4 | 28.1 | -35.1 | 0 | 0 | 0 | 111.9 | ||
| 345 | P | 61.9 | Low | 50.3 | Low | 117 Ų | 117 | 132 Ų | 132 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 148.2 | 178.1 | 28.6 | -34.9 | 0 | 0 | 0 | 111.8 | ||
| 346 | P | 67.5 | Low | 49.9 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 156 | 177.4 | 29 | -35.2 | 0 | 0 | 0 | 112.2 | ||
| 347 | P | 64.1 | Low | 49.9 | Very low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 150.5 | 178.1 | 28.8 | -35.3 | 0 | 0 | 0 | 112 | ||
| 348 | P | 61.1 | Low | 49.6 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 149.4 | 177.7 | 29.2 | -35 | 0 | 0 | 0 | 111.8 | ||
| 349 | P | 62 | Low | 49.4 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 155.4 | 177.4 | 29.1 | -35.4 | 0 | 0 | 0 | 112 | I351 | P349-I351 PolarHBondContact O-N 3.39Š|
| 350 | P | 48.4 | Very low | 49.4 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 123.6 | 178.3 | 27.1 | -34 | 0 | 0 | 0 | 110.8 | S352 | P350-S352 PolarHBondContact O-N 2.74Å; P350-S352 VanDerWaalsContact O-N 3.16Å |
| 351 | I | 45.3 | Very low | 48.9 | Very low | 134 Ų | 134 | 130.8 Ų | 130.8 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | trans | -74.2 | 104.8 | 176.7 | -70 | 174.1 | 0 | 0 | 0 | 109.2 | P349 H353 | P349-I351 PolarHBondContact O-N 3.39Å; I351-H353 VanDerWaalsContact CG2-CD2 3.42Å; I351-H353 WeakPolarHBondContact CG2-CD2 3.4Å; I351-H353 VanDerWaalsContact CG2-CE1 3.41Å; I351-H353 WeakPolarHBondContact CG2-CE1 3.29Å; I351-H353 VanDerWaalsContact CG2-NE2 3.29Å; I351-H353 WeakPolarHBondContact CG2-NE2 3.41Å; I351-H353 PolarHBondContact O-N 3.35Å | ||
| 352 | S | 42.7 | Very low | 48.8 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -82.5 | 84.8 | 169.3 | 57.5 | 0 | 0 | 0 | 0 | 110.2 | P350 P354 | P350-S352 PolarHBondContact O-N 2.74Å; P350-S352 VanDerWaalsContact O-N 3.16Å; S352-P354 WeakPolarHBondContact O-CD 3.42Å | ||
| 353 | H | 42.3 | Very low | 47.9 | Very low | 162 Ų | 162 | 124.3 Ų | 124.3 | 75% | 0.75 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 119.8 | 167.1 | -72.7 | -42.5 | 0 | 0 | 0 | 110.2 | I351 | I351-H353 VanDerWaalsContact CG2-CD2 3.42Å; I351-H353 WeakPolarHBondContact CG2-CD2 3.4Å; I351-H353 VanDerWaalsContact CG2-CE1 3.41Å; I351-H353 WeakPolarHBondContact CG2-CE1 3.29Å; I351-H353 VanDerWaalsContact CG2-NE2 3.29Å; I351-H353 WeakPolarHBondContact CG2-NE2 3.41Å; I351-H353 PolarHBondContact O-N 3.35Å |
| 354 | P | 41.9 | Very low | 46.6 | Very low | 118 Ų | 118 | 125.9 Ų | 125.9 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 127.8 | 164.2 | 29.8 | -31.5 | 0 | 0 | 0 | 109.2 | S352 P356 | S352-P354 WeakPolarHBondContact O-CD 3.42Å; P354-P356 WeakPolarHBondContact O-CD 3.41Å |
| 355 | M | 35.1 | Very low | 46 | Very low | 153 Ų | 153 | 125.9 Ų | 125.9 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 120.3 | 175.5 | -167.3 | 80.3 | 76.4 | 0 | 0 | 109.6 | H357 | M355-H357 PolarHBondContact O-N 3.26Å; M355-H357 PolarHBondContact O-ND1 3.02Å |
| 356 | P | 44.2 | Very low | 44.8 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 117.9 | 173.2 | 28.4 | -31.9 | 0 | 0 | 0 | 109.5 | P354 | P354-P356 WeakPolarHBondContact O-CD 3.41Š|
| 357 | H | 41.3 | Very low | 43.6 | Very low | 161 Ų | 161 | 130.6 Ų | 130.6 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 144.6 | 175.4 | -65.7 | 57.1 | 0 | 0 | 0 | 109.6 | M355 | M355-H357 PolarHBondContact O-N 3.26Å; M355-H357 PolarHBondContact O-ND1 3.02Å |
| 358 | P | 41.3 | Very low | 42.4 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -72 | 151.1 | 173.8 | 30.7 | -33.9 | 0 | 0 | 0 | 111 | ||
| 359 | P | 43.1 | Very low | 41.2 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74 | 132.4 | -173 | 29.7 | -34.6 | 0 | 0 | 0 | 112 | ||
| 360 | Q | 39.8 | Very low | 39.9 | Very low | 194 Ų | 194 | 135.6 Ų | 135.6 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | trans | -107.6 | 150.9 | 163.3 | -71.6 | -158.4 | -9.3 | 0 | 0 | 111 | ||||
| 361 | A | 33.3 | Very low | 39.4 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -71.8 | 156.5 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 362 | A | 37.4 | Very low | 39.1 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | -71.1 | 145.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 363 | G | 34 | Very low | 39.7 | Very low | 63 Ų | 63 | 137.2 Ų | 137.2 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | trans | -180 | 93.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 364 | T | 35 | Very low | 40 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | 72.5 | 143.8 | 159.7 | 71.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 365 | P | 44.6 | Very low | 40.6 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -108.8 | 153.4 | -174.7 | 39.9 | -31.8 | 0 | 0 | 0 | 113.8 | ||||
| 366 | H | 37.4 | Very low | 41.1 | Very low | 178 Ų | 178 | 133.6 Ų | 133.6 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -146.2 | 111.3 | 159.3 | -126.8 | -100.2 | 0 | 0 | 0 | 113.7 | ||||
| 367 | L | 40.5 | Very low | 41.1 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | trans | 37.9 | 119.8 | 150.7 | -74.1 | 159.3 | 0 | 0 | 0 | 121.6 | ||||
| 368 | V | 40.6 | Very low | 41 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -62.5 | 137.2 | 161.9 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 369 | Y | 34.5 | Very low | 41.2 | Very low | 228 Ų | 228 | 135.7 Ų | 135.7 | 89% | 0.894 | 82% | 0.816 | S | S | * | * | trans | -140.9 | 157.3 | 147.3 | -151.5 | -98 | 0 | 0 | 0 | 111.7 | ||||
| 370 | S | 34.7 | Very low | 41.3 | Very low | 88 Ų | 88 | 133.8 Ų | 133.8 | 62% | 0.615 | 81% | 0.811 | S | S | * | * | trans | -95.3 | 162.3 | -150.3 | -61.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 371 | Q | 38.1 | Very low | 41.9 | Very low | 196 Ų | 196 | 130.3 Ų | 130.3 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -44.1 | 144.6 | 175.5 | -59.1 | 160.7 | 62.5 | 0 | 0 | 116 | ||||
| 372 | A | 38.8 | Very low | 42.8 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | -147 | 146.2 | 154 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 373 | P | 54.9 | Low | 43.2 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 159.4 | -172.8 | 33.5 | -36.2 | 0 | 0 | 0 | 114 | ||
| 374 | P | 48.8 | Very low | 43.9 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 143.9 | -176.5 | 33.3 | -35.1 | 0 | 0 | 0 | 113.9 | ||
| 375 | P | 54.3 | Low | 44.5 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 162.4 | 166.7 | 33.8 | -33.9 | 0 | 0 | 0 | 112.2 | ||
| 376 | P | 47.3 | Very low | 44.9 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 147.2 | -166.1 | 32.7 | -36.2 | 0 | 0 | 0 | 115.2 | ||
| 377 | M | 44.1 | Very low | 45.4 | Very low | 178 Ų | 178 | 132.5 Ų | 132.5 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | 17.4 | 113.4 | 150.3 | -53.3 | -70.2 | 86.3 | 0 | 0 | 118.9 | ||||
| 378 | T | 37.5 | Very low | 45.8 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -143.5 | 148.4 | 142.1 | -166.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 379 | S | 46.8 | Very low | 45.5 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -102.6 | 105.5 | -166.5 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 380 | A | 44.8 | Very low | 45.6 | Very low | 90 Ų | 90 | 125.6 Ų | 125.6 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | trans | -161.4 | 138.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 381 | P | 51.8 | Low | 45.8 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 147.5 | 168.2 | 33.3 | -32.9 | 0 | 0 | 0 | 111.6 | ||
| 382 | P | 52.9 | Low | 45.8 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 153.1 | -179.8 | 32.4 | -35.4 | 0 | 0 | 0 | 112.9 | ||
| 383 | P | 46.4 | Very low | 45.7 | Very low | 125 Ų | 125 | 127 Ų | 127 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 141.7 | 176.7 | 31.4 | -34.3 | 0 | 0 | 0 | 112.2 | ||
| 384 | I | 48.2 | Very low | 44.9 | Very low | 164 Ų | 164 | 129.4 Ų | 129.4 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 120.9 | 178.7 | -57.6 | 172.4 | 0 | 0 | 0 | 109.6 | ||
| 385 | T | 46.6 | Very low | 44.2 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 132.4 | 169.7 | 39.5 | 0 | 0 | 0 | 0 | 111.3 | ||
| 386 | P | 53.3 | Low | 43.7 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 144 | 173.1 | 33.1 | -33.1 | 0 | 0 | 0 | 111.9 | ||
| 387 | P | 49.3 | Very low | 43.8 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 154.7 | 174.1 | 31.9 | -34.1 | 0 | 0 | 0 | 112.8 | ||
| 388 | P | 47.5 | Very low | 43.4 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 145 | -174.8 | -12.3 | 29.9 | 0 | 0 | 0 | 113.7 | H390 | P388-H390 PolarHBondContact O-CE1 3.25Š|
| 389 | G | 35.8 | Very low | 43.4 | Very low | 74 Ų | 74 | 134.9 Ų | 134.9 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | -84.2 | -179.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 390 | H | 35 | Very low | 42.8 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -136.1 | 111.7 | 179.3 | -33.2 | -42.5 | 0 | 0 | 0 | 111.1 | P388 | P388-H390 PolarHBondContact O-CE1 3.25Š| ||
| 391 | I | 39.1 | Very low | 42.9 | Very low | 156 Ų | 156 | 140 Ų | 140 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | 28.8 | 96.3 | 143.6 | 47 | 169.4 | 0 | 0 | 0 | 121.2 | ||||
| 392 | I | 39.4 | Very low | 42.8 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | 38.5 | 122.2 | 118.1 | -55.2 | 164.5 | 0 | 0 | 0 | 119.3 | |||||
| 393 | A | 35 | Very low | 42.8 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -135.2 | 143.6 | 141.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 394 | Q | 39.4 | Very low | 43.1 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -78.7 | 159.6 | -173.7 | -59.9 | 162.4 | 9.3 | 0 | 0 | 110.2 | ||||
| 395 | M | 33.7 | Very low | 43.2 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | -157 | -162.3 | 67.2 | -50.4 | 115.5 | 141.1 | 0 | 0 | 112 | |||||
| 396 | P | 43.5 | Very low | 43.9 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | -107.9 | 165.5 | -112.4 | 26.3 | -4.2 | 0 | 0 | 0 | 115.7 | |||||
| 397 | P | 49.8 | Very low | 43.9 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -82.7 | 146.9 | 178 | 34.4 | -34.1 | 0 | 0 | 0 | 112.1 | ||||
| 398 | Y | 36.3 | Very low | 44.1 | Very low | 220 Ų | 220 | 135.3 Ų | 135.3 | 86% | 0.863 | 79% | 0.786 | S | S | * | * | trans | -119.2 | 124.9 | 161.4 | -148.4 | -93.6 | 0 | 0 | 0 | 110.2 | ||||
| 399 | M | 37.2 | Very low | 44 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | -68.2 | 146.2 | -179.9 | -63.8 | 99.6 | 77 | 0 | 0 | 111.7 | ||||
| 400 | N | 34.4 | Very low | 44.6 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | -171.1 | 87.1 | 130.4 | -103.7 | -68.7 | 0 | 0 | 0 | 109.8 | ||||
| 401 | H | 45.7 | Very low | 44.8 | Very low | 172 Ų | 172 | 140.5 Ų | 140.5 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | trans | -131.5 | 130 | 165.9 | -47.9 | -40 | 0 | 0 | 0 | 107.3 | ||||
| 402 | P | 49.7 | Very low | 44.7 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 146.7 | 170.4 | 29.5 | -33.2 | 0 | 0 | 0 | 109.9 | ||
| 403 | P | 53.4 | Low | 44.3 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 148.9 | -176.4 | 28.4 | -34.8 | 0 | 0 | 0 | 112 | ||
| 404 | P | 53 | Low | 44.7 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64 | 137.5 | 170.3 | -17.1 | 30.7 | 0 | 0 | 0 | 111.2 | ||
| 405 | G | 50.9 | Low | 45.1 | Very low | 62 Ų | 62 | 132.4 Ų | 132.4 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 160.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 406 | P | 60.7 | Low | 45.4 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 154.3 | 179.9 | 29.4 | -35.3 | 0 | 0 | 0 | 112.6 | ||
| 407 | P | 53.2 | Low | 45.4 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 150.4 | -179.8 | 30 | -35.6 | 0 | 0 | 0 | 112.4 | ||
| 408 | P | 52.5 | Low | 44.8 | Very low | 118 Ų | 118 | 130 Ų | 130 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 146 | -179.1 | 29.2 | -34.6 | 0 | 0 | 0 | 112.5 | ||
| 409 | P | 46.9 | Very low | 45.2 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 139.9 | 177.1 | -15.7 | 30.2 | 0 | 0 | 0 | 112.5 | H411 | P409-H411 PolarHBondContact O-N 3.22Š|
| 410 | Q | 46.9 | Very low | 45.6 | Very low | 196 Ų | 196 | 123.3 Ų | 123.3 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 116.5 | 170.4 | -65 | -162.1 | 55.3 | 0 | 0 | 110.7 | ||
| 411 | H | 40.6 | Very low | 46 | Very low | 176 Ų | 176 | 122.1 Ų | 122.1 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | trans | -127 | 126.6 | 166 | -73.3 | -71.6 | 0 | 0 | 0 | 109.7 | P409 | P409-H411 PolarHBondContact O-N 3.22Š| ||
| 412 | G | 36.1 | Very low | 45.8 | Very low | 89 Ų | 89 | 123 Ų | 123 | 92% | 0.918 | 79% | 0.791 | S | S | * | * | trans | -85.4 | 152.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 413 | G | 32.2 | Very low | 45.2 | Very low | 69 Ų | 69 | 126.6 Ų | 126.6 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -161.5 | 152.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 414 | P | 43.3 | Very low | 44.2 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -82.6 | 168 | -159.3 | 33.3 | -36.9 | 0 | 0 | 0 | 115 | ||||
| 415 | P | 46.8 | Very low | 43.5 | Very low | 126 Ų | 126 | 131 Ų | 131 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -85 | 147.7 | -160.5 | 33.7 | -36.3 | 0 | 0 | 0 | 114.3 | ||||
| 416 | V | 40.8 | Very low | 42.8 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -113.7 | 119.8 | 163.4 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 417 | T | 42.6 | Very low | 41.8 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -70.9 | 127.1 | 178.2 | 44.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 418 | A | 37.6 | Very low | 41 | Very low | 90 Ų | 90 | 134.2 Ų | 134.2 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | -134.9 | 142.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 419 | P | 44.1 | Very low | 40.7 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 159.6 | -171.9 | 32.7 | -35.8 | 0 | 0 | 0 | 113.4 | ||
| 420 | P | 45.4 | Very low | 40.7 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 152.3 | -174.4 | 31.5 | -35.9 | 0 | 0 | 0 | 113.4 | ||
| 421 | P | 44 | Very low | 40.3 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 140.5 | 179.2 | 31.4 | -34.5 | 0 | 0 | 0 | 112.3 | H423 | P421-H423 PolarHBondContact O-N 3.17Š|
| 422 | H | 40.4 | Very low | 39.8 | Very low | 190 Ų | 190 | 137.3 Ų | 137.3 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70 | 127.5 | 177.5 | -72.5 | -95.1 | 0 | 0 | 0 | 112.1 | Y424 | H422-Y424 PolarHBondContact O-N 3.25Š|
| 423 | H | 37.4 | Very low | 39.6 | Very low | 194 Ų | 194 | 139.3 Ų | 139.3 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 122.4 | 167.5 | -66.6 | -89.6 | 0 | 0 | 0 | 110.1 | P421 | P421-H423 PolarHBondContact O-N 3.17Š|
| 424 | Y | 32.5 | Very low | 39.6 | Very low | 214 Ų | 214 | 144.7 Ų | 144.7 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -102 | 120.3 | 175.3 | -159.3 | -93.3 | 0 | 0 | 0 | 110.8 | H422 | H422-Y424 PolarHBondContact O-N 3.25Š|
| 425 | N | 38.1 | Very low | 39.3 | Very low | 128 Ų | 128 | 145 Ų | 145 | 68% | 0.684 | 80% | 0.801 | S | S | * | * | trans | -105.2 | 116.1 | 179.5 | 178 | 11.3 | 0 | 0 | 0 | 109.9 | N427 | N425-N427 PolarHBondContact O-N 3.06Å; N425-N427 VanDerWaalsContact O-N 3.12Å | ||
| 426 | P | 37.4 | Very low | 38.6 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | trans | -90 | 59.3 | -172.4 | 37.5 | -36.5 | 0 | 0 | 0 | 112.7 | ||||
| 427 | N | 39.2 | Very low | 38.2 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -160.3 | 80.7 | 167.2 | -128.1 | -6.6 | 0 | 0 | 0 | 115.2 | N425 | N425-N427 PolarHBondContact O-N 3.06Å; N425-N427 VanDerWaalsContact O-N 3.12Å | ||
| 428 | S | 36.3 | Very low | 37.9 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -166.4 | 100.2 | 158.8 | 55.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 429 | L | 46.8 | Very low | 37.7 | Very low | 169 Ų | 169 | 146.7 Ų | 146.7 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | trans | -76.2 | 143.6 | 152.4 | -89.6 | 156 | 0 | 0 | 0 | 108.2 | ||||
| 430 | P | 46.6 | Very low | 37.4 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | -140 | 177.5 | 109 | 36.3 | -22.1 | 0 | 0 | 0 | 114.6 | |||||
| 431 | Q | 38.7 | Very low | 37.7 | Very low | 183 Ų | 183 | 146.8 Ų | 146.8 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -107.1 | 137.3 | -158 | 174.7 | 179.8 | -4.8 | 0 | 0 | 112 | ||||
| 432 | F | 28.8 | Very low | 38.2 | Very low | 190 Ų | 190 | 146.5 Ų | 146.5 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | trans | -146.5 | 123 | 159.7 | 60.4 | -87.9 | 0 | 0 | 0 | 107 | ||||
| 433 | T | 32 | Very low | 37.8 | Very low | 130 Ų | 130 | 145.6 Ų | 145.6 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | 90.5 | 129.2 | 56.4 | -52.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 434 | E | 33.5 | Very low | 37.6 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | -70.5 | 155.3 | -162.6 | -159.6 | 147.9 | 80.1 | 0 | 0 | 116.5 | ||||
| 435 | D | 35.7 | Very low | 37.9 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 68% | 0.684 | 78% | 0.778 | S | S | * | * | trans | 129.1 | 144.3 | 137.9 | -159.9 | -144.6 | 0 | 0 | 0 | 117.7 | ||||
| 436 | Q | 33.3 | Very low | 38 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | 68.7 | 137.9 | 169.5 | -39.1 | -165.4 | 7.7 | 0 | 0 | 118.9 | ||||
| 437 | G | 31.7 | Very low | 37.6 | Very low | 62 Ų | 62 | 137.2 Ų | 137.2 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | cis | 165.8 | 156.2 | -9.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 438 | T | 36.4 | Very low | 37.5 | Very low | 135 Ų | 135 | 134 Ų | 134 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | trans | 83.8 | 147.2 | 155.7 | 74.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 439 | L | 33.8 | Very low | 37.4 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | 89.8 | 84 | 158.7 | -48.7 | -172.8 | 0 | 0 | 0 | 121.1 | ||||
| 440 | S | 38.1 | Very low | 36.8 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -90.8 | 158.7 | 141.8 | -46.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 441 | P | 50.3 | Low | 36.8 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | -158.4 | -158.2 | 80.9 | 43.7 | -22.3 | 0 | 0 | 0 | 113.4 | |||||
| 442 | P | 54.7 | Low | 36.5 | Very low | 113 Ų | 113 | 130.2 Ų | 130.2 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | cis | -127 | 147.1 | -25.1 | 19.7 | 3.3 | 0 | 0 | 0 | 116.1 | ||||
| 443 | F | 33.2 | Very low | 37 | Very low | 171 Ų | 171 | 128.9 Ų | 128.9 | 75% | 0.75 | 78% | 0.783 | S | S | * | * | 34.2 | 123.4 | 124.4 | -149.1 | -97.7 | 0 | 0 | 0 | 123.1 | Q445 | F443-Q445 HydrophobicContact CE1-CB 4.45Å; F443-Q445 HydrophobicContact CZ-CB 4.32Å; F443-Q445 HydrophobicContact CZ-CG 4.38Å | |||
| 444 | T | 33.8 | Very low | 37.3 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | trans | -151.3 | 136.6 | 131.2 | -26.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 445 | Q | 37.9 | Very low | 37.7 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | -123.1 | 144.1 | 169 | -85.3 | -82.6 | -55.1 | 0 | 0 | 108.2 | F443 | F443-Q445 HydrophobicContact CE1-CB 4.45Å; F443-Q445 HydrophobicContact CZ-CB 4.32Å; F443-Q445 HydrophobicContact CZ-CG 4.38Å | ||
| 446 | P | 39.3 | Very low | 38.1 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | -130.9 | 158.9 | 113.3 | 36.5 | -28.4 | 0 | 0 | 0 | 109.8 | |||||
| 447 | G | 29.7 | Very low | 38.6 | Very low | 66 Ų | 66 | 127.2 Ų | 127.2 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | cis | 149.6 | 117.9 | 20 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 448 | G | 37.9 | Very low | 39.4 | Very low | 79 Ų | 79 | 135.9 Ų | 135.9 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | -83.6 | 154 | -157.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 449 | M | 34 | Very low | 40.1 | Very low | 189 Ų | 189 | 132.3 Ų | 132.3 | 93% | 0.931 | 79% | 0.791 | S | S | * | * | trans | -157.1 | 133.3 | 150.4 | 45.2 | -179.5 | 64.8 | 0 | 0 | 111.3 | ||||
| 450 | S | 33.3 | Very low | 41.2 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -101.8 | -179.5 | 169.3 | -60.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 451 | P | 47.3 | Very low | 42 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | -123.5 | 141.2 | -51.7 | 32.7 | -19.2 | 0 | 0 | 0 | 110.7 | |||||
| 452 | G | 31.4 | Very low | 42.4 | Very low | 65 Ų | 65 | 130.5 Ų | 130.5 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | -147.6 | 104.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 453 | I | 40.9 | Very low | 42.6 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | 54.4 | 94.1 | 144.9 | -47.8 | 148.2 | 0 | 0 | 0 | 116.1 | P455 | I453-P455 WeakPolarHBondContact O-CD 3.23Š| ||
| 454 | W | 36.2 | Very low | 43.3 | Very low | 251 Ų | 251 | 128.5 Ų | 128.5 | 95% | 0.951 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 121.2 | 159.9 | -67.6 | 94.4 | 0 | 0 | 0 | 110.2 | ||
| 455 | P | 42.4 | Very low | 43.8 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 133.7 | 163 | -14.2 | 30.2 | 0 | 0 | 0 | 109.7 | I453 | I453-P455 WeakPolarHBondContact O-CD 3.23Š|
| 456 | A | 45.2 | Very low | 44.1 | Very low | 86 Ų | 86 | 135.2 Ų | 135.2 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 144.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R458 | A456-R458 PolarHBondContact O-N 3.34Š|
| 457 | P | 42.2 | Very low | 44.2 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -60 | 123.2 | 171.2 | -20 | 32 | 0 | 0 | 0 | 110 | G459 | P457-G459 PolarHBondContact O-N 3.48Š|
| 458 | R | 48.6 | Very low | 44.8 | Very low | 245 Ų | 245 | 138.5 Ų | 138.5 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 135.1 | 174.6 | -66.2 | -178.6 | -176.2 | 172.6 | 2.1 | 109.1 | A456 | A456-R458 PolarHBondContact O-N 3.34Š|
| 459 | G | 52.8 | Low | 45.4 | Very low | 60 Ų | 60 | 140.5 Ų | 140.5 | 62% | 0.619 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 169 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P457 | P457-G459 PolarHBondContact O-N 3.48Š|
| 460 | P | 56.9 | Low | 45.9 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 152.1 | -179.3 | 27.3 | -35 | 0 | 0 | 0 | 112.1 | ||
| 461 | P | 53.1 | Low | 46.2 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 151.4 | -177.8 | 28.6 | -35.3 | 0 | 0 | 0 | 112.4 | ||
| 462 | P | 60.6 | Low | 45.8 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 153.3 | 177.3 | 31.1 | -35.4 | 0 | 0 | 0 | 112 | ||
| 463 | P | 57.3 | Low | 46.1 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 155.4 | 179.9 | 29.9 | -35.6 | 0 | 0 | 0 | 112.6 | ||
| 464 | P | 48 | Very low | 46.4 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 142.7 | -179.7 | -21.1 | 33.3 | 0 | 0 | 0 | 113.3 | L466 | P464-L466 PolarHBondContact O-N 2.59Š|
| 465 | R | 44.5 | Very low | 46.4 | Very low | 246 Ų | 246 | 136.1 Ų | 136.1 | 93% | 0.928 | 80% | 0.799 | S | S | * | * | trans | -67.8 | 112.4 | 170.3 | -86.9 | -179.7 | 146.6 | 179.3 | -6.8 | 110.6 | ||||
| 466 | L | 44.5 | Very low | 46.4 | Very low | 172 Ų | 172 | 136.9 Ų | 136.9 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 127.4 | 160.2 | -79.8 | 160.8 | 0 | 0 | 0 | 109.6 | P464 | P464-L466 PolarHBondContact O-N 2.59Š|
| 467 | Q | 42.1 | Very low | 45.9 | Very low | 190 Ų | 190 | 136 Ų | 136 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71 | 131.7 | 167.8 | -69.2 | 175.8 | -2.1 | 0 | 0 | 109 | ||
| 468 | G | 41.7 | Very low | 46.6 | Very low | 70 Ų | 70 | 135.4 Ų | 135.4 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 145.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 469 | P | 50.1 | Low | 46 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 157.7 | 167.4 | 32.6 | -33.7 | 0 | 0 | 0 | 111.3 | ||
| 470 | P | 44 | Very low | 45.5 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 154.1 | -172.6 | 32.2 | -36.3 | 0 | 0 | 0 | 113.6 | ||
| 471 | S | 39.6 | Very low | 44.9 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 129.2 | -177.4 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 472 | Q | 40.7 | Very low | 44.1 | Very low | 186 Ų | 186 | 137.2 Ų | 137.2 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -146.7 | 107 | 153.6 | -70.5 | -157 | 73.7 | 0 | 0 | 112 | ||||
| 473 | T | 36.7 | Very low | 43 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | trans | 19.4 | 162.2 | 130.6 | 1.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 474 | P | 47.2 | Very low | 41.9 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | -130.4 | -172.1 | -79.7 | 41.6 | -24.5 | 0 | 0 | 0 | 115.5 | |||||
| 475 | L | 37.2 | Very low | 41.7 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | 84 | 159.4 | 166.1 | -58.2 | 162.6 | 0 | 0 | 0 | 118.2 | ||||
| 476 | P | 41.3 | Very low | 41.1 | Very low | 125 Ų | 125 | 144.7 Ų | 144.7 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | cis | -126.2 | -168 | -32.2 | 34.9 | -16.4 | 0 | 0 | 0 | 112.9 | ||||
| 477 | G | 35.7 | Very low | 41 | Very low | 67 Ų | 67 | 146.7 Ų | 146.7 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | trans | -78.1 | -167.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 478 | P | 55.4 | Low | 41.6 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -110.2 | 140.2 | -134.6 | 37.9 | -33.2 | 0 | 0 | 0 | 116 | ||||
| 479 | H | 36.1 | Very low | 41.3 | Very low | 196 Ų | 196 | 149.2 Ų | 149.2 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | trans | -144.7 | 147.5 | 166.1 | -85.8 | -78.6 | 0 | 0 | 0 | 114 | ||||
| 480 | H | 42.1 | Very low | 40.9 | Very low | 170 Ų | 170 | 153.7 Ų | 153.7 | 79% | 0.787 | 79% | 0.788 | S | S | * | * | trans | -100.3 | 134.3 | -175.7 | 176.5 | -63.6 | 0 | 0 | 0 | 111.2 | ||||
| 481 | P | 45.3 | Very low | 40.8 | Very low | 109 Ų | 109 | 159.7 Ų | 159.7 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | trans | -128.6 | 149.2 | 150.4 | 37.3 | -25 | 0 | 0 | 0 | 110.4 | ||||
| 482 | D | 36.6 | Very low | 40.8 | Very low | 111 Ų | 111 | 162.2 Ų | 162.2 | 59% | 0.594 | 81% | 0.806 | S | S | * | * | cis | -161.4 | 149.8 | 35.5 | -170.7 | -101.5 | 0 | 0 | 0 | 110.5 | T484 | D482-T484 PolarHBondContact OD1-N 3.4Å; D482-T484 PolarHBondContact OD1-OG1 3.09Å | ||
| 483 | Q | 37.3 | Very low | 40.9 | Very low | 191 Ų | 191 | 160.9 Ų | 160.9 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -106.3 | 108.6 | 163.9 | -90.8 | -163 | 77.1 | 0 | 0 | 109.4 | ||||
| 484 | T | 34.5 | Very low | 41.1 | Very low | 114 Ų | 114 | 162.6 Ų | 162.6 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | trans | -149.7 | 107.8 | 159.9 | 39.2 | 0 | 0 | 0 | 0 | 113.6 | D482 | D482-T484 PolarHBondContact OD1-N 3.4Å; D482-T484 PolarHBondContact OD1-OG1 3.09Å | ||
| 485 | R | 42.5 | Very low | 40.7 | Very low | 243 Ų | 243 | 166.1 Ų | 166.1 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | 158.2 | 135.4 | 107.2 | -166.2 | 168.2 | -74 | 164.3 | -2.4 | 113.1 | |||||
| 486 | Y | 32.9 | Very low | 40.9 | Very low | 213 Ų | 213 | 166.4 Ų | 166.4 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -57 | 141.9 | -175.7 | -120.2 | -125.1 | 0 | 0 | 0 | 117 | ||||
| 487 | R | 42.9 | Very low | 40.9 | Very low | 214 Ų | 214 | 169.2 Ų | 169.2 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | 22.1 | 168.4 | 126.9 | -93.6 | -160.4 | 170.4 | -141.8 | 1.4 | 121.6 | |||||
| 488 | P | 53.6 | Low | 41.3 | Very low | 87 Ų | 87 | 176.5 Ų | 176.5 | 57% | 0.565 | 82% | 0.817 | S | S | * | * | cis | -135.2 | -173.9 | -36.3 | 39.5 | -22.8 | 0 | 0 | 0 | 112 | ||||
| 489 | Y | 35.1 | Very low | 40.2 | Very low | 226 Ų | 226 | 180.8 Ų | 180.8 | 89% | 0.886 | 82% | 0.82 | S | S | * | * | -172.8 | 156 | 124.9 | -115.4 | -81.4 | 0 | 0 | 0 | 113 | |||||
| 490 | Y | 43 | Very low | 40.6 | Very low | 217 Ų | 217 | 179.6 Ų | 179.6 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | trans | -72.6 | 146.3 | 167.8 | -95.6 | -107 | 0 | 0 | 0 | 111.7 | ||||
| 491 | Q | 41 | Very low | 40.4 | Very low | 260 Ų | 260 | 180.5 Ų | 180.5 | 100% | 1.215 | 82% | 0.815 | S | S | * | * | -155 | 0 | 129.4 | -164.4 | 101.5 | 85.4 | 0 | 0 | 108.9 |
Retrieved 491 of 491 residues in 129.8 ms
(Link to these results)