| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.8 | Very low | 48.6 | Very low | 242 Ų | 242 | 188 Ų | 188 | 100% | 1.192 | 89% | 0.89 | S | S | * | * | 0 | 131.1 | 0 | -69.2 | 133.7 | 64.1 | 0 | 0 | 109.2 | |||||
| 2 | R | 40.6 | Very low | 48.5 | Very low | 255 Ų | 255 | 188.8 Ų | 188.8 | 96% | 0.962 | 89% | 0.887 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 128.3 | 167.4 | -68.9 | -173.9 | 176.5 | -160.4 | -1.4 | 108.7 | ||
| 3 | R | 49.8 | Very low | 48.3 | Very low | 251 Ų | 251 | 193.5 Ų | 193.5 | 95% | 0.947 | 89% | 0.891 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 141.1 | 173.9 | -77 | -177.6 | 172.3 | 174.5 | -1.5 | 109.8 | ||
| 4 | S | 44.2 | Very low | 47.8 | Very low | 107 Ų | 107 | 196.2 Ų | 196.2 | 75% | 0.748 | 89% | 0.89 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 144.9 | 174.4 | 46.3 | 0 | 0 | 0 | 0 | 111.7 | ||
| 5 | P | 59.2 | Low | 47.7 | Very low | 126 Ų | 126 | 197.1 Ų | 197.1 | 82% | 0.818 | 89% | 0.892 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 137 | 170.5 | 29.5 | -32.8 | 0 | 0 | 0 | 110.4 | ||
| 6 | R | 55.2 | Low | 47 | Very low | 244 Ų | 244 | 194.4 Ų | 194.4 | 92% | 0.921 | 89% | 0.887 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 142.8 | 175.8 | -69 | -179.4 | 172.7 | -177.8 | -3.4 | 110.2 | ||
| 7 | R | 52.5 | Low | 46.6 | Very low | 235 Ų | 235 | 190.1 Ų | 190.1 | 89% | 0.887 | 88% | 0.881 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 146.3 | 170.2 | -71.8 | -179.4 | 174.6 | 174.2 | -2.5 | 110.6 | ||
| 8 | P | 50.8 | Low | 45.8 | Very low | 117 Ų | 117 | 189.8 Ų | 189.8 | 76% | 0.76 | 88% | 0.877 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 149 | 170 | 30.3 | -34.6 | 0 | 0 | 0 | 111.4 | ||
| 9 | L | 48.4 | Very low | 45.1 | Very low | 168 Ų | 168 | 188.6 Ų | 188.6 | 88% | 0.88 | 88% | 0.876 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 118.1 | 176.1 | -74.9 | 166 | 0 | 0 | 0 | 110.3 | L11 | L9-L11 PolarHBondContact O-N 2.8Š|
| 10 | I | 50.8 | Low | 44.6 | Very low | 159 Ų | 159 | 187.4 Ų | 187.4 | 82% | 0.815 | 87% | 0.871 | S | S | * | * | trans | -87 | 102.8 | 174.3 | -60.5 | 172 | 0 | 0 | 0 | 108.8 | K12 | I10-K12 PolarHBondContact O-N 2.8Š| ||
| 11 | L | 44.3 | Very low | 43.9 | Very low | 164 Ų | 164 | 185.6 Ų | 185.6 | 86% | 0.859 | 87% | 0.868 | S | S | * | * | trans | -75.4 | 108.7 | 173.1 | -74.8 | 169.3 | 0 | 0 | 0 | 110.4 | L9 R13 | L9-L11 PolarHBondContact O-N 2.8Å; L11-R13 PolarHBondContact O-N 3.28Å; L11-R13 VanDerWaalsContact O-N 3.1Å | ||
| 12 | K | 47.9 | Very low | 43.5 | Very low | 197 Ų | 197 | 181 Ų | 181 | 86% | 0.857 | 84% | 0.843 | S | S | * | * | trans | -64.5 | 107.1 | 169.4 | -82 | -171.4 | 172.1 | -175.5 | 0 | 110.2 | I10 R14 | I10-K12 PolarHBondContact O-N 2.8Å; K12-R14 PolarHBondContact O-N 3.42Å | ||
| 13 | R | 45.4 | Very low | 43.3 | Very low | 250 Ų | 250 | 174.5 Ų | 174.5 | 94% | 0.943 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 123 | 160.4 | -87.5 | -176.9 | 164.4 | 177.7 | -5.4 | 109 | L11 | L11-R13 PolarHBondContact O-N 3.28Å; L11-R13 VanDerWaalsContact O-N 3.1Å |
| 14 | R | 41.9 | Very low | 42.2 | Very low | 232 Ų | 232 | 168 Ų | 168 | 88% | 0.875 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 139.8 | 167.4 | -69.3 | 176.1 | 171.7 | 164.5 | -4.4 | 108.5 | K12 | K12-R14 PolarHBondContact O-N 3.42Š|
| 15 | K | 46.3 | Very low | 41.7 | Very low | 209 Ų | 209 | 171.9 Ų | 171.9 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 140.9 | 161.8 | -72.4 | -172.3 | 174.9 | -173.7 | 0 | 108.6 | ||
| 16 | L | 35.5 | Very low | 40.2 | Very low | 155 Ų | 155 | 170.5 Ų | 170.5 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | trans | -109.1 | 158.9 | 156.8 | -100.7 | 82.3 | 0 | 0 | 0 | 108.9 | ||||
| 17 | P | 40 | Very low | 39 | Very low | 121 Ų | 121 | 165.6 Ų | 165.6 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | trans | -83.9 | 170 | -173.9 | 34.7 | -36.4 | 0 | 0 | 0 | 114.2 | ||||
| 18 | F | 32.8 | Very low | 37.9 | Very low | 185 Ų | 185 | 164.6 Ų | 164.6 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | trans | -31.3 | 147.8 | 171.1 | -98.7 | -116 | 0 | 0 | 0 | 117.7 | ||||
| 19 | L | 32.7 | Very low | 37 | Very low | 166 Ų | 166 | 167 Ų | 167 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | trans | -131.9 | 146.8 | 138.4 | -108.5 | 169.7 | 0 | 0 | 0 | 108.6 | ||||
| 20 | Q | 34.7 | Very low | 36 | Very low | 164 Ų | 164 | 165.1 Ų | 165.1 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | trans | -127.2 | 120.6 | -169.3 | 172.6 | -175.8 | 0.1 | 0 | 0 | 108.4 | ||||
| 21 | N | 29.4 | Very low | 35.2 | Very low | 150 Ų | 150 | 164.8 Ų | 164.8 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | -124.7 | 112.4 | -179.3 | -72.3 | -9.9 | 0 | 0 | 0 | 111.1 | ||||
| 22 | E | 32.1 | Very low | 34.4 | Very low | 146 Ų | 146 | 165.4 Ų | 165.4 | 68% | 0.682 | 81% | 0.812 | S | S | * | * | trans | -70.6 | 152.3 | 158 | -112.4 | -78 | 133.3 | 0 | 0 | 110.3 | T24 | E22-T24 PolarHBondContact OE2-OG1 3.49Š| ||
| 23 | P | 34.8 | Very low | 33.4 | Very low | 119 Ų | 119 | 159.8 Ų | 159.8 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -131.9 | 117.9 | 153.2 | 34.4 | -19.6 | 0 | 0 | 0 | 112.5 | ||||
| 24 | T | 28.4 | Very low | 32.5 | Very low | 115 Ų | 115 | 152.8 Ų | 152.8 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -109.3 | 147.9 | -178.7 | -23.6 | 0 | 0 | 0 | 0 | 112.4 | E22 | E22-T24 PolarHBondContact OE2-OG1 3.49Š| ||
| 25 | Q | 31.9 | Very low | 31.8 | Very low | 187 Ų | 187 | 147 Ų | 147 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | 68.8 | 122.7 | 166 | -59.3 | -158.7 | -45.7 | 0 | 0 | 121.9 | ||||
| 26 | A | 28.5 | Very low | 30.9 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | -178.7 | 97.1 | 121.5 | 0 | 0 | 0 | 0 | 0 | 108 | |||||
| 27 | D | 30.5 | Very low | 30.6 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | 81.1 | 110.2 | 67.4 | -165.6 | 21.6 | 0 | 0 | 0 | 114.8 | |||||
| 28 | K | 30 | Very low | 30.2 | Very low | 213 Ų | 213 | 137.2 Ų | 137.2 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | trans | -155.6 | 144.8 | 160.3 | -79 | -154.4 | 176 | -175.8 | 0 | 109.7 | ||||
| 29 | Q | 30.6 | Very low | 30 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -142.9 | 138.3 | -159.8 | -177.9 | -172.7 | 49.4 | 0 | 0 | 112.1 | ||||
| 30 | T | 28.1 | Very low | 30.1 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | 177.2 | 106.9 | 163 | -73.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 31 | Q | 33.7 | Very low | 29.8 | Very low | 152 Ų | 152 | 135 Ų | 135 | 71% | 0.71 | 81% | 0.807 | S | S | * | * | 54.3 | 140.6 | 86.3 | -68.4 | -170.6 | 4 | 0 | 0 | 114.5 | |||||
| 32 | H | 27.8 | Very low | 29.8 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 82% | 0.819 | 81% | 0.808 | S | S | * | * | cis | -160.2 | 159.4 | -3.3 | -114.8 | -61.5 | 0 | 0 | 0 | 107.3 | ||||
| 33 | G | 25.9 | Very low | 29.9 | Very low | 79 Ų | 79 | 135.4 Ų | 135.4 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | 150.3 | 120.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 34 | A | 27.5 | Very low | 29.5 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | -85.3 | 166 | -165.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 35 | A | 27.8 | Very low | 29.7 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | 76.2 | 127.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 36 | G | 25.9 | Very low | 30.1 | Very low | 75 Ų | 75 | 129.3 Ų | 129.3 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | 173.9 | 132.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 37 | S | 29.4 | Very low | 30.8 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -40.4 | 144.8 | 176.5 | 47.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 38 | G | 31.4 | Very low | 31.4 | Very low | 81 Ų | 81 | 130.7 Ų | 130.7 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -88.3 | 148.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 39 | E | 29.6 | Very low | 32.5 | Very low | 183 Ų | 183 | 121.6 Ų | 121.6 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -134.1 | 152.9 | 155.5 | -95.3 | -159.6 | 125.4 | 0 | 0 | 108.5 | ||||
| 40 | P | 33.5 | Very low | 33.4 | Very low | 118 Ų | 118 | 119.5 Ų | 119.5 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | trans | -71.5 | 129.3 | 173.9 | 29.9 | -33.1 | 0 | 0 | 0 | 110.7 | K42 | P40-K42 PolarHBondContact O-N 3.24Å; P40-K42 VanDerWaalsContact O-N 3.1Å | ||
| 41 | I | 29.9 | Very low | 34.8 | Very low | 168 Ų | 168 | 116.8 Ų | 116.8 | 86% | 0.862 | 77% | 0.765 | S | S | * | * | trans | -61.2 | 115.7 | 175.6 | -62.4 | 174.8 | 0 | 0 | 0 | 108.9 | ||||
| 42 | K | 29.9 | Very low | 36.2 | Very low | 188 Ų | 188 | 110.4 Ų | 110.4 | 82% | 0.817 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -54 | 128.5 | 171 | -80 | 175.7 | 175 | 168.4 | 0 | 109.6 | P40 | P40-K42 PolarHBondContact O-N 3.24Å; P40-K42 VanDerWaalsContact O-N 3.1Å |
| 43 | P | 32.2 | Very low | 38.1 | Very low | 117 Ų | 117 | 105.2 Ų | 105.2 | 76% | 0.76 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -59 | 143.2 | 160.5 | 27.6 | -32.9 | 0 | 0 | 0 | 108.6 | A45 | P43-A45 PolarHBondContact O-N 3.28Š|
| 44 | A | 28.2 | Very low | 40.4 | Very low | 98 Ų | 98 | 104.4 Ų | 104.4 | 81% | 0.81 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 141 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | S46 | A44-S46 PolarHBondContact O-N 3.03Š|
| 45 | A | 31.4 | Very low | 42.7 | Very low | 97 Ų | 97 | 105.4 Ų | 105.4 | 80% | 0.802 | 68% | 0.683 | S | S | * | * | trans | -62.3 | 103.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P43 Q47 | P43-A45 PolarHBondContact O-N 3.28Å; A45-Q47 PolarHBondContact O-N 2.84Å | ||
| 46 | S | 40.6 | Very low | 44.9 | Very low | 98 Ų | 98 | 105.5 Ų | 105.5 | 69% | 0.685 | 67% | 0.668 | S | S | * | * | trans | -58.4 | 118.4 | 165.7 | 52.1 | 0 | 0 | 0 | 0 | 108.5 | A44 C48 | A44-S46 PolarHBondContact O-N 3.03Å; S46-C48 PolarHBondContact O-N 3.1Å | ||
| 47 | Q | 42.1 | Very low | 47.1 | Very low | 157 Ų | 157 | 104.5 Ų | 104.5 | 73% | 0.734 | 64% | 0.643 | S | S | * | * | trans | -73.1 | 77.6 | 177.9 | -68.4 | -175.8 | -3 | 0 | 0 | 109.9 | A45 L49 V80 | A45-Q47 PolarHBondContact O-N 2.84Å; Q47-L49 PolarHBondContact O-N 3.06Å; Q47-V80 WeakPolarHBondContact O-CG1 3.23Å | ||
| 48 | C | 44.6 | Very low | 48.7 | Very low | 110 Ų | 110 | 104.9 Ų | 104.9 | 74% | 0.743 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 123.3 | 171.9 | -167.3 | 0 | 0 | 0 | 0 | 108.9 | S46 | S46-C48 PolarHBondContact O-N 3.1Š|
| 49 | L | 53.6 | Low | 50.2 | Low | 22 Ų | 22 | 105.6 Ų | 105.6 | 12% | 0.115 | 64% | 0.635 | C | S | . | * | P | Polyproline II helix | trans | -67.1 | 121.4 | 175.5 | -73.2 | 158.7 | 0 | 0 | 0 | 109.2 | Q47 G51 I52 I77 V80 | Q47-L49 PolarHBondContact O-N 3.06Å; L49-G51 PolarHBondContact O-N 2.97Å; L49-I52 HydrophobicContact CB-CB 3.85Å; L49-I52 HydrophobicContact CB-CD1 4.07Å; L49-I52 HydrophobicContact CB-CG1 4.14Å; L49-I52 HydrophobicContact CD1-CD1 4.17Å; L49-I52 HydrophobicContact CD1-CG2 4.35Å; L49-I52 HydrophobicContact CD2-CD1 4.43Å; L49-I52 HydrophobicContact CG-CD1 4.45Å; L49-I52 PolarHBondContact O-N 2.89Å; L49-I77 HydrophobicContact CD1-CG1 4.21Å; L49-I77 HydrophobicContact CD1-CG2 4.32Å; L49-I77 HydrophobicContact CD2-CG1 4.28Å; L49-V80 HydrophobicContact CD1-CB 4.13Å; L49-V80 HydrophobicContact CD1-CG1 4Å; L49-V80 HydrophobicContact CD2-CB 4.44Å; L49-V80 HydrophobicContact CD2-CG2 4.04Å; L49-V80 HydrophobicContact CG-CB 4.26Å; L49-V80 HydrophobicContact CG-CG1 4.07Å; L49-V80 HydrophobicContact CG-CG2 4.24Å |
| 50 | P | 47.7 | Very low | 51.9 | Low | 125 Ų | 125 | 101.1 Ų | 101.1 | 81% | 0.812 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 120.8 | -179.5 | 26.6 | -33.3 | 0 | 0 | 0 | 110.3 | ||
| 51 | G | 57.7 | Low | 53.3 | Low | 71 Ų | 71 | 101.5 Ų | 101.5 | 73% | 0.732 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.5 | 5.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | L49 P53 | L49-G51 PolarHBondContact O-N 2.97Å; G51-P53 WeakPolarHBondContact O-CD 3.26Å |
| 52 | I | 64.4 | Low | 55.3 | Low | 19 Ų | 19 | 96.5 Ų | 96.5 | 10% | 0.097 | 60% | 0.595 | C | S | . | * | trans | -103 | 107.5 | -179 | -64 | -170.3 | 0 | 0 | 0 | 110.3 | L49 V66 P69 A72 I77 | L49-I52 HydrophobicContact CB-CB 3.85Å; L49-I52 HydrophobicContact CB-CD1 4.07Å; L49-I52 HydrophobicContact CB-CG1 4.14Å; L49-I52 HydrophobicContact CD1-CD1 4.17Å; L49-I52 HydrophobicContact CD1-CG2 4.35Å; L49-I52 HydrophobicContact CD2-CD1 4.43Å; L49-I52 HydrophobicContact CG-CD1 4.45Å; L49-I52 PolarHBondContact O-N 2.89Å; I52-V66 HydrophobicContact CG2-CG1 3.58Å; I52-P69 HydrophobicContact CG1-CG 4.2Å; I52-A72 HydrophobicContact CD1-CB 4.2Å; I52-I77 HydrophobicContact CD1-CD1 3.58Å; I52-I77 HydrophobicContact CD1-CG1 3.76Å | ||
| 53 | P | 67.9 | Low | 57.5 | Low | 67 Ų | 67 | 87.7 Ų | 87.7 | 44% | 0.435 | 56% | 0.558 | S | S | . | * | trans | -74.8 | 133.2 | 179.3 | 30.7 | -33.6 | 0 | 0 | 0 | 111.1 | G51 V67 | G51-P53 WeakPolarHBondContact O-CD 3.26Å; P53-V67 HydrophobicContact CG-CB 4.05Å; P53-V67 HydrophobicContact CG-CG2 4.39Å; P53-V67 PolarHBondContact O-N 2.8Å | ||
| 54 | I | 73 | Confident | 59.8 | Low | 62 Ų | 62 | 83.3 Ų | 83.3 | 32% | 0.318 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 122.4 | 173.9 | -54.1 | -179.8 | 0 | 0 | 0 | 108.4 | Q64 V65 V66 L81 | I54-Q64 HydrophobicContact CG2-CB 4Å; I54-Q64 HydrophobicContact CG2-CG 4.38Å; I54-V65 WeakPolarHBondContact CA-O 3.42Å; I54-V66 HydrophobicContact CG1-CG1 4.31Å; I54-V66 HydrophobicContact CG1-CG2 4.19Å; I54-V66 HydrophobicContact CG2-CG2 4.19Å; I54-L81 HydrophobicContact CD1-CD2 4.36Å |
| 55 | M | 75.1 | Confident | 62.1 | Low | 123 Ų | 123 | 79.8 Ų | 79.8 | 61% | 0.606 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 146 | -176.1 | -62.7 | 172.6 | 69.4 | 0 | 0 | 110.4 | Q64 V65 | M55-Q64 CarbonylContact O-C 3.53Å; M55-Q64 VanDerWaalsContact O-CA 3.28Å; M55-Q64 WeakPolarHBondContact O-CA 3.45Å; M55-V65 PolarHBondContact N-O 2.94Å; M55-V65 PolarHBondContact O-N 2.77Å |
| 56 | N | 75.1 | Confident | 64.5 | Low | 113 Ų | 113 | 75.1 Ų | 75.1 | 60% | 0.604 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 142.3 | 171.8 | -62.7 | -51.1 | 0 | 0 | 0 | 110 | Q64 | N56-Q64 WeakPolarHBondContact OD1-CG 3.45Å; N56-Q64 PolarHBondContact OD1-NE2 3.34Å |
| 57 | H | 71.4 | Confident | 66.3 | Low | 54 Ų | 54 | 73.1 Ų | 73.1 | 25% | 0.25 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 126.4 | 178.7 | -167.2 | -97 | 0 | 0 | 0 | 111 | S59 M60 T63 | H57-S59 PolarHBondContact CE1-OG 2.91Å; H57-S59 PolarHBondContact ND1-OG 2.93Å; H57-S59 PolarHBondContact O-N 2.86Å; H57-M60 HydrophobicContact CB-CB 4.27Å; H57-M60 PolarHBondContact ND1-N 3.16Å; H57-M60 PolarHBondContact O-N 3.4Å; H57-M60 VanDerWaalsContact O-N 3.14Å; H57-T63 HydrophobicContact CB-CG2 4.27Å; H57-T63 WeakPolarHBondContact CB-O 3.39Å; H57-T63 PolarHBondContact N-O 3.4Å |
| 58 | P | 63.3 | Low | 68.1 | Low | 131 Ų | 131 | 66.1 Ų | 66.1 | 85% | 0.851 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20.3 | -167.7 | 24.6 | -34.8 | 0 | 0 | 0 | 114.6 | ||
| 59 | S | 62.4 | Low | 69.4 | Low | 96 Ų | 96 | 63.1 Ų | 63.1 | 67% | 0.671 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | 0.6 | 176.9 | 62.2 | 0 | 0 | 0 | 0 | 114.8 | H57 | H57-S59 PolarHBondContact CE1-OG 2.91Å; H57-S59 PolarHBondContact ND1-OG 2.93Å; H57-S59 PolarHBondContact O-N 2.86Å |
| 60 | M | 65.7 | Low | 70.1 | Confident | 89 Ų | 89 | 67.5 Ų | 67.5 | 44% | 0.438 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 101.8 | -179.9 | -67.2 | -160.9 | -61 | 0 | 0 | 111.5 | H57 D62 T63 | H57-M60 HydrophobicContact CB-CB 4.27Å; H57-M60 PolarHBondContact ND1-N 3.16Å; H57-M60 PolarHBondContact O-N 3.4Å; H57-M60 VanDerWaalsContact O-N 3.14Å; M60-D62 PolarHBondContact O-N 2.79Å; M60-T63 HydrophobicContact CE-CG2 4.19Å; M60-T63 PolarHBondContact O-N 2.94Å |
| 61 | S | 62.5 | Low | 71.1 | Confident | 127 Ų | 127 | 69.4 Ų | 69.4 | 89% | 0.888 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | -19.1 | -176.8 | 47.6 | 0 | 0 | 0 | 0 | 115.3 | ||
| 62 | D | 72.8 | Confident | 71.9 | Confident | 62 Ų | 62 | 67.5 Ų | 67.5 | 33% | 0.332 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 20.4 | 176.3 | -176.5 | 45.5 | 0 | 0 | 0 | 112.3 | M60 P93 N94 K95 | M60-D62 PolarHBondContact O-N 2.79Å; D62-P93 WeakPolarHBondContact OD1-CA 3.16Å; D62-N94 PolarHBondContact OD1-N 2.99Å; D62-K95 WeakPolarHBondContact O-CB 3.43Å |
| 63 | T | 76.3 | Confident | 72.5 | Confident | 4 Ų | 4 | 71 Ų | 71 | 3% | 0.025 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 130.5 | -175.1 | -56 | 0 | 0 | 0 | 0 | 112.7 | H57 M60 K95 I97 | H57-T63 HydrophobicContact CB-CG2 4.27Å; H57-T63 WeakPolarHBondContact CB-O 3.39Å; H57-T63 PolarHBondContact N-O 3.4Å; M60-T63 HydrophobicContact CE-CG2 4.19Å; M60-T63 PolarHBondContact O-N 2.94Å; T63-K95 WeakPolarHBondContact CA-O 3.48Å; T63-K95 HydrophobicContact CG2-CB 4.05Å; T63-K95 WeakPolarHBondContact OG1-CD 3.22Å; T63-I97 HydrophobicContact CG2-CD1 3.72Å; T63-I97 HydrophobicContact CG2-CG1 3.92Å |
| 64 | Q | 79.3 | Confident | 72.9 | Confident | 24 Ų | 24 | 72.4 Ų | 72.4 | 11% | 0.112 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 140 | 175.6 | -73.2 | -175.9 | -12.3 | 0 | 0 | 111.4 | I54 M55 N56 P93 K95 F96 I97 | I54-Q64 HydrophobicContact CG2-CB 4Å; I54-Q64 HydrophobicContact CG2-CG 4.38Å; M55-Q64 CarbonylContact O-C 3.53Å; M55-Q64 VanDerWaalsContact O-CA 3.28Å; M55-Q64 WeakPolarHBondContact O-CA 3.45Å; N56-Q64 WeakPolarHBondContact OD1-CG 3.45Å; N56-Q64 PolarHBondContact OD1-NE2 3.34Å; Q64-P93 HydrophobicContact CG-CB 4.13Å; Q64-P93 HydrophobicContact CG-CG 4.24Å; Q64-K95 PolarHBondContact N-O 3.38Å; Q64-F96 HydrophobicContact CB-CD1 3.93Å; Q64-F96 HydrophobicContact CB-CE1 4.08Å; Q64-F96 CarbonylContact O-C 3.58Å; Q64-F96 VanDerWaalsContact O-CA 3.29Å; Q64-F96 WeakPolarHBondContact O-CA 3.4Å; Q64-I97 PolarHBondContact O-N 2.7Å |
| 65 | V | 77.8 | Confident | 73.2 | Confident | 24 Ų | 24 | 76.1 Ų | 76.1 | 15% | 0.145 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 134.8 | 174.3 | -173.1 | 0 | 0 | 0 | 0 | 108.3 | I54 M55 I97 L99 | I54-V65 WeakPolarHBondContact CA-O 3.42Å; M55-V65 PolarHBondContact N-O 2.94Å; M55-V65 PolarHBondContact O-N 2.77Å; V65-I97 CarbonylContact C-O 3.59Å; V65-I97 WeakPolarHBondContact CA-O 3.35Å; V65-I97 HydrophobicContact CG2-CB 4.36Å; V65-I97 HydrophobicContact CG2-CD1 4.49Å; V65-L99 HydrophobicContact CG1-CD1 3.62Å; V65-L99 HydrophobicContact CG1-CG 3.98Å |
| 66 | V | 81.1 | Confident | 73.4 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 119.7 | -179.1 | -173.9 | 0 | 0 | 0 | 0 | 107.9 | I52 I54 I68 L81 F96 I97 L98 L99 | I52-V66 HydrophobicContact CG2-CG1 3.58Å; I54-V66 HydrophobicContact CG1-CG1 4.31Å; I54-V66 HydrophobicContact CG1-CG2 4.19Å; I54-V66 HydrophobicContact CG2-CG2 4.19Å; V66-I68 HydrophobicContact CG1-CG1 4.47Å; V66-L81 HydrophobicContact CG2-CD1 4.1Å; V66-L81 HydrophobicContact CG2-CD2 4.03Å; V66-F96 HydrophobicContact CG2-CD1 4.33Å; V66-I97 PolarHBondContact N-O 2.8Å; V66-L98 HydrophobicContact CB-CD2 3.89Å; V66-L98 HydrophobicContact CG1-CD2 4.49Å; V66-L98 HydrophobicContact CG2-CD2 4.28Å; V66-L98 WeakPolarHBondContact O-CA 3.4Å; V66-L99 PolarHBondContact O-N 2.69Å |
| 67 | V | 78.5 | Confident | 73.7 | Confident | 56 Ų | 56 | 67.8 Ų | 67.8 | 34% | 0.339 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 122 | 177.9 | -171.7 | 0 | 0 | 0 | 0 | 108.8 | P53 | P53-V67 HydrophobicContact CG-CB 4.05Å; P53-V67 HydrophobicContact CG-CG2 4.39Å; P53-V67 PolarHBondContact O-N 2.8Å |
| 68 | I | 79.8 | Confident | 74 | Confident | 10 Ų | 10 | 68.9 Ų | 68.9 | 5% | 0.051 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 118.6 | -173 | -61.9 | -175.7 | 0 | 0 | 0 | 110.2 | V66 A72 L74 I77 L98 L99 | V66-I68 HydrophobicContact CG1-CG1 4.47Å; I68-A72 HydrophobicContact CG2-CB 4.45Å; I68-L74 HydrophobicContact CD1-CD2 3.99Å; I68-L74 HydrophobicContact CG2-CD2 3.94Å; I68-I77 HydrophobicContact CB-CD1 4.43Å; I68-I77 HydrophobicContact CD1-CD1 4.07Å; I68-I77 HydrophobicContact CD1-CG2 4.14Å; I68-I77 HydrophobicContact CG1-CD1 4.08Å; I68-I77 HydrophobicContact CG2-CD1 3.66Å; I68-L98 HydrophobicContact CD1-CB 4.09Å; I68-L98 HydrophobicContact CD1-CD1 4.09Å; I68-L98 HydrophobicContact CD1-CD2 4.26Å; I68-L98 HydrophobicContact CD1-CG 4.37Å; I68-L99 PolarHBondContact N-O 3.36Å |
| 69 | P | 72.5 | Confident | 74.7 | Confident | 47 Ų | 47 | 64.6 Ų | 64.6 | 31% | 0.305 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 150.3 | 169.6 | -20.9 | 33.6 | 0 | 0 | 0 | 112.1 | I52 E71 A72 | I52-P69 HydrophobicContact CG1-CG 4.2Å; P69-E71 PolarHBondContact O-N 2.74Å; P69-A72 HydrophobicContact CB-CB 4.45Å; P69-A72 PolarHBondContact O-N 2.62Å |
| 70 | K | 66.9 | Low | 75.5 | Confident | 114 Ų | 114 | 61.1 Ų | 61.1 | 50% | 0.496 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -25.5 | -173.1 | -58.6 | 175.6 | -175.8 | 97.1 | 0 | 113.3 | E101 | K70-E101 WeakPolarHBondContact CE-O 3.21Å; K70-E101 IonicContact NZ-OE1 2.59Å; K70-E101 PolarHBondContact NZ-OE1 3.15Å; K70-E101 IonicContact NZ-OE2 2.7Å; K70-E101 PolarHBondContact NZ-OE2 2.94Å |
| 71 | E | 68.6 | Low | 76.1 | Confident | 165 Ų | 165 | 57.4 Ų | 57.4 | 77% | 0.771 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -2.2 | -175.8 | -58.6 | 69.8 | -153.8 | 0 | 0 | 113.3 | P69 | P69-E71 PolarHBondContact O-N 2.74Š|
| 72 | A | 74.8 | Confident | 76.8 | Confident | 31 Ų | 31 | 53.4 Ų | 53.4 | 26% | 0.256 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -91.7 | 134.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I52 I68 P69 L74 I77 | I52-A72 HydrophobicContact CD1-CB 4.2Å; I68-A72 HydrophobicContact CG2-CB 4.45Å; P69-A72 HydrophobicContact CB-CB 4.45Å; P69-A72 PolarHBondContact O-N 2.62Å; A72-L74 PolarHBondContact O-N 3.44Å; A72-I77 HydrophobicContact CB-CD1 3.83Å |
| 73 | D | 77.1 | Confident | 76.9 | Confident | 92 Ų | 92 | 52.9 Ų | 52.9 | 49% | 0.492 | 30% | 0.299 | S | S | . | . | trans | -66.8 | 117.2 | 177.2 | 169.8 | 37.8 | 0 | 0 | 0 | 112.1 | Q75 S76 I77 | D73-Q75 VanDerWaalsContact C-N 3.28Å; D73-Q75 PolarHBondContact O-N 3.31Å; D73-Q75 PolarHBondContact OD1-N 3.49Å; D73-S76 PolarHBondContact O-N 3.43Å; D73-S76 VanDerWaalsContact OD2-CB 3.23Å; D73-S76 WeakPolarHBondContact OD2-CB 3.44Å; D73-S76 PolarHBondContact OD2-N 3.32Å; D73-I77 WeakPolarHBondContact O-CG1 3.31Å; D73-I77 PolarHBondContact O-N 3.08Å; D73-I77 VanDerWaalsContact O-N 3.11Å | ||
| 74 | L | 77.9 | Confident | 76.8 | Confident | 97 Ų | 97 | 55 Ų | 55 | 51% | 0.508 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.7 | -32.4 | 177.4 | -61.1 | 177.9 | 0 | 0 | 0 | 112.7 | I68 A72 I77 I78 | I68-L74 HydrophobicContact CD1-CD2 3.99Å; I68-L74 HydrophobicContact CG2-CD2 3.94Å; A72-L74 PolarHBondContact O-N 3.44Å; L74-I77 PolarHBondContact O-N 3.05Å; L74-I78 WeakPolarHBondContact O-CB 3.37Å; L74-I78 WeakPolarHBondContact O-CD1 3.49Å; L74-I78 WeakPolarHBondContact O-CG1 3.25Å; L74-I78 PolarHBondContact O-N 3.07Å |
| 75 | Q | 77.3 | Confident | 76.4 | Confident | 139 Ų | 139 | 55.1 Ų | 55.1 | 65% | 0.65 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -70 | -43.7 | 179.9 | -63.2 | -62 | -26.9 | 0 | 0 | 111.3 | D73 I78 G79 | D73-Q75 VanDerWaalsContact C-N 3.28Å; D73-Q75 PolarHBondContact O-N 3.31Å; D73-Q75 PolarHBondContact OD1-N 3.49Å; Q75-I78 PolarHBondContact O-N 3.13Å; Q75-G79 PolarHBondContact O-N 3.25Å |
| 76 | S | 80 | Confident | 75.9 | Confident | 60 Ų | 60 | 61.9 Ų | 61.9 | 42% | 0.42 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56.6 | -47.9 | 170.5 | -176.4 | 0 | 0 | 0 | 0 | 112 | D73 G79 V80 | D73-S76 PolarHBondContact O-N 3.43Å; D73-S76 VanDerWaalsContact OD2-CB 3.23Å; D73-S76 WeakPolarHBondContact OD2-CB 3.44Å; D73-S76 PolarHBondContact OD2-N 3.32Å; S76-G79 PolarHBondContact O-N 3.33Å; S76-V80 WeakPolarHBondContact O-CG2 3.41Å; S76-V80 PolarHBondContact O-N 2.92Å |
| 77 | I | 80.8 | Confident | 75.1 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 178.8 | -63.9 | 165.6 | 0 | 0 | 0 | 111.4 | L49 I52 I68 A72 D73 L74 G79 V80 L81 | L49-I77 HydrophobicContact CD1-CG1 4.21Å; L49-I77 HydrophobicContact CD1-CG2 4.32Å; L49-I77 HydrophobicContact CD2-CG1 4.28Å; I52-I77 HydrophobicContact CD1-CD1 3.58Å; I52-I77 HydrophobicContact CD1-CG1 3.76Å; I68-I77 HydrophobicContact CB-CD1 4.43Å; I68-I77 HydrophobicContact CD1-CD1 4.07Å; I68-I77 HydrophobicContact CD1-CG2 4.14Å; I68-I77 HydrophobicContact CG1-CD1 4.08Å; I68-I77 HydrophobicContact CG2-CD1 3.66Å; A72-I77 HydrophobicContact CB-CD1 3.83Å; D73-I77 WeakPolarHBondContact O-CG1 3.31Å; D73-I77 PolarHBondContact O-N 3.08Å; D73-I77 VanDerWaalsContact O-N 3.11Å; L74-I77 PolarHBondContact O-N 3.05Å; I77-G79 VanDerWaalsContact C-N 3.27Å; I77-G79 PolarHBondContact O-N 3.14Å; I77-V80 PolarHBondContact O-N 3.5Å; I77-L81 HydrophobicContact CG2-CD1 3.86Å; I77-L81 HydrophobicContact CG2-CG 4.28Å; I77-L81 WeakPolarHBondContact O-CG 3.11Å; I77-L81 PolarHBondContact O-N 3.04Å |
| 78 | I | 78.6 | Confident | 74.3 | Confident | 76 Ų | 76 | 67.6 Ų | 67.6 | 39% | 0.39 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 177.2 | -69.6 | 164.6 | 0 | 0 | 0 | 110.4 | L74 Q75 T82 | L74-I78 WeakPolarHBondContact O-CB 3.37Å; L74-I78 WeakPolarHBondContact O-CD1 3.49Å; L74-I78 WeakPolarHBondContact O-CG1 3.25Å; L74-I78 PolarHBondContact O-N 3.07Å; Q75-I78 PolarHBondContact O-N 3.13Å; I78-T82 WeakPolarHBondContact O-CB 3.15Å; I78-T82 PolarHBondContact O-N 3.21Å; I78-T82 PolarHBondContact O-OG1 2.97Å |
| 79 | G | 78.1 | Confident | 73.6 | Confident | 41 Ų | 41 | 69.2 Ų | 69.2 | 42% | 0.423 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.2 | -51.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q75 S76 I77 T82 A83 | Q75-G79 PolarHBondContact O-N 3.25Å; S76-G79 PolarHBondContact O-N 3.33Å; I77-G79 VanDerWaalsContact C-N 3.27Å; I77-G79 PolarHBondContact O-N 3.14Å; G79-T82 PolarHBondContact O-N 3.26Å; G79-A83 PolarHBondContact O-N 3.18Å |
| 80 | V | 79.5 | Confident | 72.9 | Confident | 24 Ų | 24 | 74.4 Ų | 74.4 | 15% | 0.145 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 178.8 | 173 | 0 | 0 | 0 | 0 | 111.7 | Q47 L49 S76 I77 T82 A83 K84 | Q47-V80 WeakPolarHBondContact O-CG1 3.23Å; L49-V80 HydrophobicContact CD1-CB 4.13Å; L49-V80 HydrophobicContact CD1-CG1 4Å; L49-V80 HydrophobicContact CD2-CB 4.44Å; L49-V80 HydrophobicContact CD2-CG2 4.04Å; L49-V80 HydrophobicContact CG-CB 4.26Å; L49-V80 HydrophobicContact CG-CG1 4.07Å; L49-V80 HydrophobicContact CG-CG2 4.24Å; S76-V80 WeakPolarHBondContact O-CG2 3.41Å; S76-V80 PolarHBondContact O-N 2.92Å; I77-V80 PolarHBondContact O-N 3.5Å; V80-T82 VanDerWaalsContact C-N 3.31Å; V80-T82 PolarHBondContact O-N 3.02Å; V80-A83 WeakPolarHBondContact O-CB 3.33Å; V80-A83 PolarHBondContact O-N 2.81Å; V80-K84 WeakPolarHBondContact O-CB 3.42Å; V80-K84 PolarHBondContact O-N 3.12Å |
| 81 | L | 78.6 | Confident | 72.3 | Confident | 10 Ų | 10 | 78.3 Ų | 78.3 | 5% | 0.052 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.5 | -33.4 | 177 | -65 | 177.7 | 0 | 0 | 0 | 112.3 | I54 V66 I77 K84 G85 F96 L98 | I54-L81 HydrophobicContact CD1-CD2 4.36Å; V66-L81 HydrophobicContact CG2-CD1 4.1Å; V66-L81 HydrophobicContact CG2-CD2 4.03Å; I77-L81 HydrophobicContact CG2-CD1 3.86Å; I77-L81 HydrophobicContact CG2-CG 4.28Å; I77-L81 WeakPolarHBondContact O-CG 3.11Å; I77-L81 PolarHBondContact O-N 3.04Å; L81-K84 PolarHBondContact O-N 3.09Å; L81-G85 PolarHBondContact O-N 2.94Å; L81-F96 HydrophobicContact CB-CD2 4.39Å; L81-F96 HydrophobicContact CB-CE2 4.48Å; L81-F96 HydrophobicContact CD1-CB 4.44Å; L81-F96 HydrophobicContact CD1-CG 4.43Å; L81-F96 HydrophobicContact CD2-CD1 4.01Å; L81-F96 HydrophobicContact CD2-CE1 4.08Å; L81-F96 HydrophobicContact CD2-CG 4.43Å; L81-L98 HydrophobicContact CD1-CD2 3.7Å |
| 82 | T | 77.1 | Confident | 71.8 | Confident | 44 Ų | 44 | 71.1 Ų | 71.1 | 27% | 0.27 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.8 | -32.7 | 173.4 | -60.1 | 0 | 0 | 0 | 0 | 112.2 | I78 G79 V80 K86 | I78-T82 WeakPolarHBondContact O-CB 3.15Å; I78-T82 PolarHBondContact O-N 3.21Å; I78-T82 PolarHBondContact O-OG1 2.97Å; G79-T82 PolarHBondContact O-N 3.26Å; V80-T82 VanDerWaalsContact C-N 3.31Å; V80-T82 PolarHBondContact O-N 3.02Å; T82-K86 WeakPolarHBondContact O-CD 3.35Å; T82-K86 WeakPolarHBondContact O-CG 3.05Å; T82-K86 PolarHBondContact O-N 3.36Å |
| 83 | A | 75.3 | Confident | 71 | Confident | 51 Ų | 51 | 70.6 Ų | 70.6 | 42% | 0.421 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.3 | -47 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111 | G79 V80 G85 K86 E87 | G79-A83 PolarHBondContact O-N 3.18Å; V80-A83 WeakPolarHBondContact O-CB 3.33Å; V80-A83 PolarHBondContact O-N 2.81Å; A83-G85 VanDerWaalsContact C-N 3.31Å; A83-G85 PolarHBondContact O-N 2.89Å; A83-K86 WeakPolarHBondContact O-CA 3.2Å; A83-K86 WeakPolarHBondContact O-CB 3.38Å; A83-K86 PolarHBondContact O-N 2.91Å; A83-E87 PolarHBondContact O-N 2.89Å; A83-E87 VanDerWaalsContact O-N 3.07Å |
| 84 | K | 72.9 | Confident | 70.3 | Confident | 48 Ų | 48 | 71 Ų | 71 | 21% | 0.209 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -57.8 | -39.3 | 177.8 | -161.9 | -176.8 | -171.4 | -173.5 | 0 | 113 | V80 L81 K86 E87 S88 F96 | V80-K84 WeakPolarHBondContact O-CB 3.42Å; V80-K84 PolarHBondContact O-N 3.12Å; L81-K84 PolarHBondContact O-N 3.09Å; K84-K86 VanDerWaalsContact C-N 3.3Å; K84-K86 PolarHBondContact O-N 2.93Å; K84-E87 VanDerWaalsContact O-CG 3.24Å; K84-E87 WeakPolarHBondContact O-CG 3.19Å; K84-S88 VanDerWaalsContact O-CB 3.29Å; K84-S88 WeakPolarHBondContact O-CB 3.36Å; K84-S88 PolarHBondContact O-N 2.9Å; K84-S88 PolarHBondContact O-OG 3.03Å; K84-F96 HydrophobicContact CD-CE1 4.31Å; K84-F96 HydrophobicContact CD-CZ 4.39Å |
| 85 | G | 70.5 | Confident | 70.1 | Confident | 27 Ų | 27 | 71.9 Ų | 71.9 | 28% | 0.278 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.4 | -27.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L81 A83 | L81-G85 PolarHBondContact O-N 2.94Å; A83-G85 VanDerWaalsContact C-N 3.31Å; A83-G85 PolarHBondContact O-N 2.89Å |
| 86 | K | 68.4 | Low | 70.1 | Confident | 165 Ų | 165 | 67.8 Ų | 67.8 | 72% | 0.717 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -83 | -38.4 | 179.6 | -72.1 | 170.3 | -176.6 | 174.5 | 0 | 113.1 | T82 A83 K84 S88 | T82-K86 WeakPolarHBondContact O-CD 3.35Å; T82-K86 WeakPolarHBondContact O-CG 3.05Å; T82-K86 PolarHBondContact O-N 3.36Å; A83-K86 WeakPolarHBondContact O-CA 3.2Å; A83-K86 WeakPolarHBondContact O-CB 3.38Å; A83-K86 PolarHBondContact O-N 2.91Å; K84-K86 VanDerWaalsContact C-N 3.3Å; K84-K86 PolarHBondContact O-N 2.93Å; K86-S88 VanDerWaalsContact C-N 3.28Å; K86-S88 PolarHBondContact O-N 3.26Å |
| 87 | E | 63.8 | Low | 70 | Confident | 145 Ų | 145 | 68.1 Ų | 68.1 | 68% | 0.678 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -68.8 | -27 | 173.4 | 63.3 | -176.1 | -167.7 | 0 | 0 | 112.6 | A83 K84 G89 | A83-E87 PolarHBondContact O-N 2.89Å; A83-E87 VanDerWaalsContact O-N 3.07Å; K84-E87 VanDerWaalsContact O-CG 3.24Å; K84-E87 WeakPolarHBondContact O-CG 3.19Å; E87-G89 VanDerWaalsContact C-N 3.28Å; E87-G89 PolarHBondContact O-N 3.01Å |
| 88 | S | 62.5 | Low | 70 | Confident | 32 Ų | 32 | 71.1 Ų | 71.1 | 22% | 0.224 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -13.6 | -177.9 | -71.2 | 0 | 0 | 0 | 0 | 115.5 | K84 K86 G92 | K84-S88 VanDerWaalsContact O-CB 3.29Å; K84-S88 WeakPolarHBondContact O-CB 3.36Å; K84-S88 PolarHBondContact O-N 2.9Å; K84-S88 PolarHBondContact O-OG 3.03Å; K86-S88 VanDerWaalsContact C-N 3.28Å; K86-S88 PolarHBondContact O-N 3.26Å; S88-G92 PolarHBondContact O-N 2.87Å; S88-G92 VanDerWaalsContact O-N 3.08Å |
| 89 | G | 64.5 | Low | 69.8 | Low | 43 Ų | 43 | 71.9 Ų | 71.9 | 44% | 0.443 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | 58.5 | -152.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | E87 Q91 | E87-G89 VanDerWaalsContact C-N 3.28Å; E87-G89 PolarHBondContact O-N 3.01Å; G89-Q91 PolarHBondContact O-N 3.13Å |
| 90 | V | 57.1 | Low | 69.3 | Low | 156 Ų | 156 | 74.5 Ų | 74.5 | 95% | 0.945 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -81.1 | 3.8 | -176.5 | -158.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 91 | Q | 54.3 | Low | 68.1 | Low | 196 Ų | 196 | 78.9 Ų | 78.9 | 92% | 0.916 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -133.5 | -0.9 | -167.3 | -154 | 174 | 11.1 | 0 | 0 | 114.6 | G89 | G89-Q91 PolarHBondContact O-N 3.13Š|
| 92 | G | 59.3 | Low | 66.3 | Low | 15 Ų | 15 | 84.1 Ų | 84.1 | 16% | 0.155 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -113.9 | 176.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S88 N94 | S88-G92 PolarHBondContact O-N 2.87Å; S88-G92 VanDerWaalsContact O-N 3.08Å; G92-N94 PolarHBondContact O-N 3.27Å; G92-N94 PolarHBondContact O-ND2 2.8Å |
| 93 | P | 58.2 | Low | 64.5 | Low | 19 Ų | 19 | 84.9 Ų | 84.9 | 12% | 0.123 | 49% | 0.486 | C | S | . | . | trans | -62.7 | 107.2 | -160.7 | 24.6 | -35.4 | 0 | 0 | 0 | 113 | D62 Q64 K95 | D62-P93 WeakPolarHBondContact OD1-CA 3.16Å; Q64-P93 HydrophobicContact CG-CB 4.13Å; Q64-P93 HydrophobicContact CG-CG 4.24Å; P93-K95 PolarHBondContact O-N 2.95Å | ||
| 94 | N | 62.4 | Low | 62.4 | Low | 102 Ų | 102 | 88.1 Ų | 88.1 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | trans | -85.8 | 9.8 | 177.3 | -87.8 | -105.8 | 0 | 0 | 0 | 113 | D62 G92 | D62-N94 PolarHBondContact OD1-N 2.99Å; G92-N94 PolarHBondContact O-N 3.27Å; G92-N94 PolarHBondContact O-ND2 2.8Å | ||
| 95 | K | 72 | Confident | 60.8 | Low | 114 Ų | 114 | 96.8 Ų | 96.8 | 50% | 0.496 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 129.3 | -175.6 | -56.8 | 176.3 | -178.3 | -62.5 | 0 | 111.5 | D62 T63 Q64 P93 | D62-K95 WeakPolarHBondContact O-CB 3.43Å; T63-K95 WeakPolarHBondContact CA-O 3.48Å; T63-K95 HydrophobicContact CG2-CB 4.05Å; T63-K95 WeakPolarHBondContact OG1-CD 3.22Å; Q64-K95 PolarHBondContact N-O 3.38Å; P93-K95 PolarHBondContact O-N 2.95Å |
| 96 | F | 79.1 | Confident | 58.8 | Low | 54 Ų | 54 | 98.8 Ų | 98.8 | 24% | 0.237 | 56% | 0.558 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.3 | 131 | 174 | -60 | -75.4 | 0 | 0 | 0 | 109.9 | Q64 V66 L81 K84 L98 | Q64-F96 HydrophobicContact CB-CD1 3.93Å; Q64-F96 HydrophobicContact CB-CE1 4.08Å; Q64-F96 CarbonylContact O-C 3.58Å; Q64-F96 VanDerWaalsContact O-CA 3.29Å; Q64-F96 WeakPolarHBondContact O-CA 3.4Å; V66-F96 HydrophobicContact CG2-CD1 4.33Å; L81-F96 HydrophobicContact CB-CD2 4.39Å; L81-F96 HydrophobicContact CB-CE2 4.48Å; L81-F96 HydrophobicContact CD1-CB 4.44Å; L81-F96 HydrophobicContact CD1-CG 4.43Å; L81-F96 HydrophobicContact CD2-CD1 4.01Å; L81-F96 HydrophobicContact CD2-CE1 4.08Å; L81-F96 HydrophobicContact CD2-CG 4.43Å; K84-F96 HydrophobicContact CD-CE1 4.31Å; K84-F96 HydrophobicContact CD-CZ 4.39Å; F96-L98 HydrophobicContact CB-CD2 4.5Å |
| 97 | I | 76.8 | Confident | 57.3 | Low | 67 Ų | 67 | 98.4 Ų | 98.4 | 34% | 0.344 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.9 | 122.2 | 172.7 | -61.2 | 174.3 | 0 | 0 | 0 | 107 | T63 Q64 V65 V66 L99 | T63-I97 HydrophobicContact CG2-CD1 3.72Å; T63-I97 HydrophobicContact CG2-CG1 3.92Å; Q64-I97 PolarHBondContact O-N 2.7Å; V65-I97 CarbonylContact C-O 3.59Å; V65-I97 WeakPolarHBondContact CA-O 3.35Å; V65-I97 HydrophobicContact CG2-CB 4.36Å; V65-I97 HydrophobicContact CG2-CD1 4.49Å; V66-I97 PolarHBondContact N-O 2.8Å; I97-L99 HydrophobicContact CG2-CD2 4.26Å |
| 98 | L | 81.2 | Confident | 55.6 | Low | 65 Ų | 65 | 95.1 Ų | 95.1 | 34% | 0.34 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.2 | 123.3 | -179.3 | -51.9 | -175.6 | 0 | 0 | 0 | 109.4 | V66 I68 L81 F96 | V66-L98 HydrophobicContact CB-CD2 3.89Å; V66-L98 HydrophobicContact CG1-CD2 4.49Å; V66-L98 HydrophobicContact CG2-CD2 4.28Å; V66-L98 WeakPolarHBondContact O-CA 3.4Å; I68-L98 HydrophobicContact CD1-CB 4.09Å; I68-L98 HydrophobicContact CD1-CD1 4.09Å; I68-L98 HydrophobicContact CD1-CD2 4.26Å; I68-L98 HydrophobicContact CD1-CG 4.37Å; L81-L98 HydrophobicContact CD1-CD2 3.7Å; F96-L98 HydrophobicContact CB-CD2 4.5Å |
| 99 | L | 73.5 | Confident | 53.9 | Low | 91 Ų | 91 | 99.3 Ų | 99.3 | 48% | 0.476 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.8 | 125.1 | 175.3 | -61.6 | 180 | 0 | 0 | 0 | 109.4 | V65 V66 I68 I97 | V65-L99 HydrophobicContact CG1-CD1 3.62Å; V65-L99 HydrophobicContact CG1-CG 3.98Å; V66-L99 PolarHBondContact O-N 2.69Å; I68-L99 PolarHBondContact N-O 3.36Å; I97-L99 HydrophobicContact CG2-CD2 4.26Å |
| 100 | S | 67.8 | Low | 51.9 | Low | 97 Ų | 97 | 106.7 Ų | 106.7 | 68% | 0.678 | 62% | 0.618 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114.1 | 134.8 | 177.7 | -175.6 | 0 | 0 | 0 | 0 | 110 | S102 | S100-S102 PolarHBondContact O-N 2.82Å |
| 101 | E | 54.4 | Low | 50.5 | Low | 116 Ų | 116 | 104.2 Ų | 104.2 | 54% | 0.542 | 61% | 0.607 | S | S | . | * | trans | -84.8 | 90.7 | -169.8 | -164 | -143.7 | 130.5 | 0 | 0 | 111.9 | K70 G103 | K70-E101 WeakPolarHBondContact CE-O 3.21Å; K70-E101 IonicContact NZ-OE1 2.59Å; K70-E101 PolarHBondContact NZ-OE1 3.15Å; K70-E101 IonicContact NZ-OE2 2.7Å; K70-E101 PolarHBondContact NZ-OE2 2.94Å; E101-G103 PolarHBondContact O-N 3.23Å | ||
| 102 | S | 40.9 | Very low | 49.1 | Very low | 120 Ų | 120 | 104.5 Ų | 104.5 | 84% | 0.839 | 61% | 0.608 | S | S | * | * | trans | -81.1 | 101.9 | 176.4 | -167.8 | 0 | 0 | 0 | 0 | 111.9 | S100 S104 | S100-S102 PolarHBondContact O-N 2.82Å; S102-S104 PolarHBondContact O-N 3.17Å | ||
| 103 | G | 38.6 | Very low | 47.4 | Very low | 59 Ų | 59 | 108 Ų | 108 | 61% | 0.608 | 64% | 0.635 | S | S | * | * | trans | -81.4 | 89.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E101 R105 | E101-G103 PolarHBondContact O-N 3.23Å; G103-R105 PolarHBondContact O-N 3.17Å | ||
| 104 | S | 32.1 | Very low | 45.8 | Very low | 119 Ų | 119 | 111.7 Ų | 111.7 | 83% | 0.832 | 67% | 0.668 | S | S | * | * | trans | -74.5 | 110.7 | 168.6 | -172 | 0 | 0 | 0 | 0 | 111 | S102 G106 | S102-S104 PolarHBondContact O-N 3.17Å; S104-G106 PolarHBondContact O-N 3.06Å; S104-G106 VanDerWaalsContact O-N 3.12Å | ||
| 105 | R | 38.7 | Very low | 44 | Very low | 231 Ų | 231 | 113 Ų | 113 | 87% | 0.872 | 68% | 0.679 | S | S | * | * | trans | -89.3 | 71 | -172.7 | -157.6 | 178.8 | -162.8 | -136 | 4.8 | 112.4 | G103 N107 | G103-R105 PolarHBondContact O-N 3.17Å; R105-N107 PolarHBondContact O-N 3.08Å | ||
| 106 | G | 29.8 | Very low | 41.9 | Very low | 68 Ų | 68 | 117.3 Ų | 117.3 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | trans | -68.3 | 104.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S104 G108 | S104-G106 PolarHBondContact O-N 3.06Å; S104-G106 VanDerWaalsContact O-N 3.12Å; G106-G108 PolarHBondContact O-N 3.33Å | ||
| 107 | N | 36.3 | Very low | 39.3 | Very low | 158 Ų | 158 | 123 Ų | 123 | 85% | 0.845 | 73% | 0.725 | S | S | * | * | trans | -74.7 | 86.9 | 169.3 | -88 | 2.1 | 0 | 0 | 0 | 110.4 | R105 | R105-N107 PolarHBondContact O-N 3.08Š| ||
| 108 | G | 27.9 | Very low | 36.8 | Very low | 76 Ų | 76 | 128.1 Ų | 128.1 | 78% | 0.784 | 75% | 0.748 | S | S | * | * | trans | -122.2 | 69 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G106 | G106-G108 PolarHBondContact O-N 3.33Š| ||
| 109 | S | 27.9 | Very low | 34.3 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -89.9 | 112.5 | 176.1 | -171.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 110 | F | 22.4 | Very low | 32.1 | Very low | 198 Ų | 198 | 131.5 Ų | 131.5 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | -127.9 | 143.6 | 156.2 | -161.6 | -92.8 | 0 | 0 | 0 | 109.4 | ||||
| 111 | C | 26.8 | Very low | 30.7 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 71% | 0.709 | 79% | 0.791 | S | S | * | * | trans | -83.7 | 145.3 | -165.1 | -53.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 112 | Q | 25.5 | Very low | 29.4 | Very low | 201 Ų | 201 | 131.7 Ų | 131.7 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | trans | -138.6 | 158.7 | 142.2 | -154.8 | 153.6 | 17.3 | 0 | 0 | 110.1 | ||||
| 113 | A | 23.1 | Very low | 28.7 | Very low | 88 Ų | 88 | 129.7 Ų | 129.7 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -130.4 | 166.4 | -154.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 114 | A | 23.8 | Very low | 28.2 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | 68.1 | 157.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 115 | V | 25.6 | Very low | 28 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | cis | -121.4 | 157.8 | 7.1 | 176.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 116 | K | 27.6 | Very low | 27.4 | Very low | 203 Ų | 203 | 125.5 Ų | 125.5 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -141.2 | 117.2 | 170.4 | -163.3 | -178.1 | -174.7 | -173.4 | 0 | 111.8 | ||||
| 117 | E | 25.3 | Very low | 27.2 | Very low | 174 Ų | 174 | 126.8 Ų | 126.8 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -124.7 | 150.8 | 163.4 | -73.5 | -176.7 | 160.7 | 0 | 0 | 106.6 | ||||
| 118 | E | 24.4 | Very low | 26.9 | Very low | 175 Ų | 175 | 127.4 Ų | 127.4 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | cis | -148.1 | -165 | -5 | -145.9 | -147 | 134.2 | 0 | 0 | 109.7 | ||||
| 119 | S | 27.8 | Very low | 27.5 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 77.6 | 119.5 | 170.8 | 73.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 120 | S | 26.9 | Very low | 27.5 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -104.3 | -162.3 | 172.1 | -44.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 121 | P | 39.5 | Very low | 27.8 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | cis | -123.9 | -169.4 | 1.3 | 44.7 | -28 | 0 | 0 | 0 | 112.5 | ||||
| 122 | A | 27.6 | Very low | 28 | Very low | 92 Ų | 92 | 127.1 Ų | 127.1 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | cis | -136 | 163.3 | -0.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 123 | G | 25.5 | Very low | 28.1 | Very low | 77 Ų | 77 | 124.1 Ų | 124.1 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | 74.8 | 129.7 | 77.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 124 | S | 28.2 | Very low | 28.5 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | cis | -170.4 | 155.1 | 2.1 | -175.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 125 | T | 28 | Very low | 28.9 | Very low | 135 Ų | 135 | 127.2 Ų | 127.2 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | trans | 58.5 | 169.7 | 157.8 | 42.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 126 | A | 25.2 | Very low | 29.2 | Very low | 86 Ų | 86 | 129.6 Ų | 129.6 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | cis | -170.5 | 156.7 | -42.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 127 | A | 26.1 | Very low | 29.4 | Very low | 95 Ų | 95 | 126.3 Ų | 126.3 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | 56.2 | 129.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 128 | Q | 29.1 | Very low | 29.6 | Very low | 172 Ų | 172 | 125.7 Ų | 125.7 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | 53.2 | 147.7 | 67.4 | -66.6 | -70.3 | -6.2 | 0 | 0 | 114.5 | |||||
| 129 | P | 41.8 | Very low | 30.7 | Very low | 96 Ų | 96 | 123.2 Ų | 123.2 | 62% | 0.623 | 76% | 0.755 | S | S | * | * | cis | -147.4 | -174.6 | -7.5 | 28.6 | -1.5 | 0 | 0 | 0 | 117.8 | ||||
| 130 | V | 27.3 | Very low | 30.7 | Very low | 115 Ų | 115 | 125.2 Ų | 125.2 | 70% | 0.697 | 76% | 0.757 | S | S | * | * | trans | 67.2 | 141.3 | 145.3 | -76.8 | 0 | 0 | 0 | 0 | 128 | ||||
| 131 | K | 28.7 | Very low | 30.9 | Very low | 190 Ų | 190 | 124.5 Ų | 124.5 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | trans | 81.8 | 149.7 | 140.3 | -79.4 | 163.8 | -174.7 | -178.7 | 0 | 120.5 | ||||
| 132 | S | 31.7 | Very low | 30.5 | Very low | 90 Ų | 90 | 128.1 Ų | 128.1 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | cis | -160.4 | -178 | -10.6 | 58.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 133 | D | 28.2 | Very low | 31 | Very low | 138 Ų | 138 | 128.6 Ų | 128.6 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | trans | 84.9 | 151.2 | 152.1 | -88 | -83.3 | 0 | 0 | 0 | 120.4 | ||||
| 134 | T | 30.4 | Very low | 31.1 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | cis | -147 | -163.3 | -0.1 | -153 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 135 | I | 33.2 | Very low | 30.9 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | trans | -106.3 | 151.5 | -168 | -69.1 | 163.3 | 0 | 0 | 0 | 114.6 | ||||
| 136 | H | 31.4 | Very low | 31 | Very low | 181 Ų | 181 | 131 Ų | 131 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | trans | -164.1 | 172.9 | 133.7 | -119.1 | -96.6 | 0 | 0 | 0 | 114.5 | ||||
| 137 | N | 31.8 | Very low | 31.2 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | -112.4 | 165.8 | -145.4 | -67.2 | -46 | 0 | 0 | 0 | 119.5 | ||||
| 138 | M | 30.1 | Very low | 31.4 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | trans | -52.2 | 165.7 | 162.2 | -106.3 | 161.1 | 65.7 | 0 | 0 | 115 | ||||
| 139 | P | 45.8 | Very low | 31.4 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | -146.7 | -175.7 | 54.9 | 41.4 | -20.4 | 0 | 0 | 0 | 118.5 | |||||
| 140 | D | 28.9 | Very low | 30.6 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | -72.5 | 142.1 | -176.3 | -77.6 | -80.3 | 0 | 0 | 0 | 117.2 | ||||
| 141 | A | 29.7 | Very low | 31 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -169.4 | 144.9 | 135.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 142 | K | 31.8 | Very low | 31 | Very low | 203 Ų | 203 | 133.3 Ų | 133.3 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -93.8 | 170.8 | 160.7 | -102.5 | -179.8 | 178.7 | 174.1 | 0 | 109.1 | ||||
| 143 | P | 38.2 | Very low | 30.9 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 66% | 0.662 | 80% | 0.8 | S | S | * | * | cis | -142.1 | -174.5 | 20.8 | 44.8 | -26.8 | 0 | 0 | 0 | 116.8 | ||||
| 144 | L | 26.6 | Very low | 31.1 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | 67 | 142.6 | 165.2 | -55.9 | 167.5 | 0 | 0 | 0 | 115.7 | ||||
| 145 | T | 25.1 | Very low | 31.6 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | cis | -154 | 155.1 | -3.4 | -7.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 146 | G | 29.5 | Very low | 31.8 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | 127.8 | 119.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 147 | N | 29.3 | Very low | 32.1 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -84.3 | 126.8 | -173.1 | -61.7 | -7.9 | 0 | 0 | 0 | 111.6 | ||||
| 148 | Q | 30.4 | Very low | 32.9 | Very low | 199 Ų | 199 | 134.6 Ų | 134.6 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | trans | -137.1 | 111.3 | 158.9 | -76.9 | -153.8 | 45.5 | 0 | 0 | 111.8 | ||||
| 149 | S | 29.8 | Very low | 33.5 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -169 | 137.4 | 169.7 | 54.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 150 | S | 24.9 | Very low | 33.5 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | cis | -165.8 | 140.8 | -6.8 | 46.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 151 | A | 35.3 | Very low | 34.6 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | 38 | 91.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 152 | S | 28.8 | Very low | 35.3 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -172.4 | 121.8 | 133.1 | 33.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 153 | C | 29.5 | Very low | 36.7 | Very low | 139 Ų | 139 | 127.6 Ų | 127.6 | 94% | 0.939 | 78% | 0.776 | S | S | * | * | trans | -87.7 | 116.6 | 169.4 | -78.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 154 | S | 33.7 | Very low | 37.5 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -69 | -169.1 | 160.5 | 53.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 155 | P | 40 | Very low | 38.7 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | -126.5 | 159.7 | -67.7 | 36.3 | -22.7 | 0 | 0 | 0 | 111.3 | |||||
| 156 | L | 37.8 | Very low | 40 | Very low | 181 Ų | 181 | 129.9 Ų | 129.9 | 95% | 0.948 | 76% | 0.759 | S | S | * | * | trans | -111.1 | 137.7 | 164.2 | -72.7 | 177.8 | 0 | 0 | 0 | 110.2 | ||||
| 157 | D | 36.9 | Very low | 40.8 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | -93.1 | 163 | -160.7 | -168.2 | 21.6 | 0 | 0 | 0 | 113.4 | S159 | D157-S159 PolarHBondContact O-N 2.93Š| ||
| 158 | D | 48.5 | Very low | 41.3 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 68% | 0.679 | 75% | 0.752 | S | S | * | * | trans | -67.5 | 122.1 | -174.3 | -97.5 | -52.3 | 0 | 0 | 0 | 112.8 | ||||
| 159 | S | 42.2 | Very low | 41.6 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -137.5 | 14.5 | 175 | -75.8 | 0 | 0 | 0 | 0 | 114.5 | D157 | D157-S159 PolarHBondContact O-N 2.93Š| ||
| 160 | L | 45.7 | Very low | 42 | Very low | 169 Ų | 169 | 131.3 Ų | 131.3 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -112.5 | 11.4 | 178.1 | -68.5 | 180 | 0 | 0 | 0 | 114.9 | ||
| 161 | T | 53.6 | Low | 42.1 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 68% | 0.681 | 75% | 0.753 | S | S | * | * | trans | -107.4 | 2.2 | 174.8 | 46.6 | 0 | 0 | 0 | 0 | 114.2 | I163 | T161-I163 VanDerWaalsContact C-N 3.29Å; T161-I163 PolarHBondContact O-N 3.5Å | ||
| 162 | N | 44.7 | Very low | 42.2 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 59% | 0.594 | 75% | 0.753 | S | S | * | * | trans | -78.2 | 73.2 | 178.2 | -167 | -6.9 | 0 | 0 | 0 | 113.1 | Q164 | N162-Q164 VanDerWaalsContact C-N 3.31Å; N162-Q164 WeakPolarHBondContact OD1-CB 3.35Å; N162-Q164 VanDerWaalsContact OD1-CG 3.26Å; N162-Q164 WeakPolarHBondContact OD1-CG 3.2Å; N162-Q164 PolarHBondContact OD1-N 2.93Å | ||
| 163 | I | 61.2 | Low | 42.2 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 50% | 0.503 | 75% | 0.747 | S | S | . | * | trans | -99.1 | 31.1 | 170.4 | -36.6 | -175.6 | 0 | 0 | 0 | 110.3 | T161 W165 L166 | T161-I163 VanDerWaalsContact C-N 3.29Å; T161-I163 PolarHBondContact O-N 3.5Å; I163-W165 HydrophobicContact CG2-CZ2 4.33Å; I163-W165 PolarHBondContact O-N 3.41Å; I163-W165 VanDerWaalsContact O-N 3.08Å; I163-L166 HydrophobicContact CG2-CB 4.45Å; I163-L166 HydrophobicContact CG2-CD1 3.78Å; I163-L166 PolarHBondContact O-N 2.9Å | ||
| 164 | Q | 54.1 | Low | 42.1 | Very low | 148 Ų | 148 | 133.2 Ų | 133.2 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -65.1 | -13.8 | -176.3 | -66.8 | -178.6 | 2.7 | 0 | 0 | 113.8 | N162 L166 G167 | N162-Q164 VanDerWaalsContact C-N 3.31Å; N162-Q164 WeakPolarHBondContact OD1-CB 3.35Å; N162-Q164 VanDerWaalsContact OD1-CG 3.26Å; N162-Q164 WeakPolarHBondContact OD1-CG 3.2Å; N162-Q164 PolarHBondContact OD1-N 2.93Å; Q164-L166 VanDerWaalsContact C-N 3.26Å; Q164-L166 PolarHBondContact O-N 3.4Å; Q164-G167 PolarHBondContact O-N 3.12Å |
| 165 | W | 52.4 | Low | 42.2 | Very low | 189 Ų | 189 | 134.9 Ų | 134.9 | 72% | 0.716 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -64.1 | -29.3 | 175.2 | 64.1 | -94.3 | 0 | 0 | 0 | 113.1 | I163 G167 | I163-W165 HydrophobicContact CG2-CZ2 4.33Å; I163-W165 PolarHBondContact O-N 3.41Å; I163-W165 VanDerWaalsContact O-N 3.08Å; W165-G167 VanDerWaalsContact C-N 3.3Å; W165-G167 PolarHBondContact O-N 3.38Å |
| 166 | L | 52 | Low | 41.9 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 56% | 0.555 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -74.8 | -15.4 | 175.7 | -102.2 | 151 | 0 | 0 | 0 | 113.6 | I163 Q164 K168 | I163-L166 HydrophobicContact CG2-CB 4.45Å; I163-L166 HydrophobicContact CG2-CD1 3.78Å; I163-L166 PolarHBondContact O-N 2.9Å; Q164-L166 VanDerWaalsContact C-N 3.26Å; Q164-L166 PolarHBondContact O-N 3.4Å; L166-K168 VanDerWaalsContact C-N 3.31Å; L166-K168 PolarHBondContact O-N 3Å |
| 167 | G | 45.3 | Very low | 41.4 | Very low | 59 Ų | 59 | 133 Ų | 133 | 61% | 0.608 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -78.2 | -8.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q164 W165 M169 | Q164-G167 PolarHBondContact O-N 3.12Å; W165-G167 VanDerWaalsContact C-N 3.3Å; W165-G167 PolarHBondContact O-N 3.38Å; G167-M169 PolarHBondContact O-N 2.89Å |
| 168 | K | 41.2 | Very low | 41 | Very low | 190 Ų | 190 | 133.3 Ų | 133.3 | 83% | 0.826 | 73% | 0.727 | S | S | * | * | trans | -92.5 | 50.8 | -171.2 | -68.4 | -171.8 | 176.5 | -179.5 | 0 | 114.3 | L166 | L166-K168 VanDerWaalsContact C-N 3.31Å; L166-K168 PolarHBondContact O-N 3Å | ||
| 169 | M | 35.5 | Very low | 40 | Very low | 167 Ų | 167 | 130.5 Ų | 130.5 | 82% | 0.823 | 72% | 0.721 | S | S | * | * | trans | -141.1 | 48.6 | 163.9 | 64.2 | 175.3 | -177.9 | 0 | 0 | 113.9 | G167 | G167-M169 PolarHBondContact O-N 2.89Š| ||
| 170 | N | 39.2 | Very low | 39.5 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 83% | 0.834 | 72% | 0.72 | S | S | * | * | trans | -103.5 | 103.7 | 166.1 | -112.9 | 4.6 | 0 | 0 | 0 | 110.4 | ||||
| 171 | T | 27.3 | Very low | 38.7 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 83% | 0.828 | 72% | 0.715 | S | S | * | * | trans | -142.1 | 85.9 | 156 | 51.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 172 | S | 37.6 | Very low | 37.4 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 85% | 0.846 | 71% | 0.714 | S | S | * | * | trans | -66.2 | 134.5 | 154 | 40.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 173 | A | 28.5 | Very low | 36.7 | Very low | 85 Ų | 85 | 131.7 Ų | 131.7 | 70% | 0.702 | 72% | 0.719 | S | S | * | * | trans | -142.6 | 100.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 174 | L | 27.4 | Very low | 35.1 | Very low | 169 Ų | 169 | 133.1 Ų | 133.1 | 89% | 0.885 | 73% | 0.728 | S | S | * | * | trans | 63.2 | 101.3 | 150.5 | -50.3 | -178.2 | 0 | 0 | 0 | 119.1 | ||||
| 175 | E | 35.6 | Very low | 34.3 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 66% | 0.659 | 73% | 0.732 | S | S | * | * | trans | -87.9 | 143.4 | 149.8 | -155.9 | -76.7 | 140.5 | 0 | 0 | 108.6 | Q177 | E175-Q177 VanDerWaalsContact CD-N 3.28Å; E175-Q177 PolarHBondContact OE1-N 3.35Å; E175-Q177 VanDerWaalsContact OE1-N 3.07Å; E175-Q177 PolarHBondContact OE2-N 3.46Å; E175-Q177 PolarHBondContact OE2-NE2 2.69Å | ||
| 176 | P | 33.9 | Very low | 33.2 | Very low | 110 Ų | 110 | 134 Ų | 134 | 71% | 0.714 | 74% | 0.737 | S | S | * | * | trans | -141.9 | 100.5 | 152 | 33.7 | -15.7 | 0 | 0 | 0 | 114.9 | ||||
| 177 | Q | 26.4 | Very low | 32.3 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | 35.5 | 132 | 125.4 | -58.1 | -64.3 | -68.7 | 0 | 0 | 119.6 | E175 | E175-Q177 VanDerWaalsContact CD-N 3.28Å; E175-Q177 PolarHBondContact OE1-N 3.35Å; E175-Q177 VanDerWaalsContact OE1-N 3.07Å; E175-Q177 PolarHBondContact OE2-N 3.46Å; E175-Q177 PolarHBondContact OE2-NE2 2.69Å | |||
| 178 | L | 29.5 | Very low | 31.6 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | 172 | 133.8 | 92.8 | -174.3 | 57.6 | 0 | 0 | 0 | 115.7 | |||||
| 179 | A | 27.8 | Very low | 31.1 | Very low | 68 Ų | 68 | 142.9 Ų | 142.9 | 56% | 0.562 | 76% | 0.762 | S | S | * | * | trans | 52.4 | 122.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 180 | N | 30.1 | Very low | 30.9 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | -177.9 | 128.1 | 94.2 | -89.4 | -60.4 | 0 | 0 | 0 | 109.6 | |||||
| 181 | Q | 29.4 | Very low | 30.3 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | 61.3 | 126.3 | 83.8 | -72.7 | -162.8 | 105.9 | 0 | 0 | 114.2 | |||||
| 182 | T | 26.6 | Very low | 30.7 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | cis | -151.7 | 165.7 | 8.6 | 57 | 0 | 0 | 0 | 0 | 115 | ||||
| 183 | T | 29.3 | Very low | 30.4 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 61.8 | 123 | 142.9 | 49 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 184 | D | 29.2 | Very low | 30.6 | Very low | 127 Ų | 127 | 146 Ų | 146 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | trans | 91.2 | 131.1 | 130.1 | -91.4 | -65.1 | 0 | 0 | 0 | 125.8 | ||||
| 185 | K | 36 | Very low | 30.9 | Very low | 180 Ų | 180 | 144.8 Ų | 144.8 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | trans | 67.6 | 90 | 146.7 | -75.6 | 157.7 | -169.8 | 163.1 | 0 | 123.3 | ||||
| 186 | E | 29 | Very low | 30.8 | Very low | 175 Ų | 175 | 145.6 Ų | 145.6 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | 24.2 | 116.1 | 124.7 | -162.7 | -155.7 | 131.4 | 0 | 0 | 120.3 | |||||
| 187 | K | 32.9 | Very low | 30.4 | Very low | 199 Ų | 199 | 146.9 Ų | 146.9 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | -158.5 | 116 | 125.9 | -120.6 | 168.4 | -173.6 | 169.6 | 0 | 115.7 | |||||
| 188 | K | 30.7 | Very low | 30.7 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -1.6 | 124.1 | 153.4 | 179.5 | -179.7 | -179.2 | 176.5 | 0 | 118.6 | ||||
| 189 | L | 31.6 | Very low | 30.8 | Very low | 172 Ų | 172 | 144.9 Ų | 144.9 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | -156.6 | 153.3 | 124.6 | -107 | 170.7 | 0 | 0 | 0 | 110.5 | |||||
| 190 | Q | 30.3 | Very low | 30.8 | Very low | 172 Ų | 172 | 147.6 Ų | 147.6 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -114.9 | 150.4 | -171.1 | -70.3 | 168.8 | -36.5 | 0 | 0 | 111.7 | ||||
| 191 | A | 27.9 | Very low | 31.3 | Very low | 88 Ų | 88 | 149.5 Ų | 149.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -109.3 | 141.8 | 162 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 192 | P | 35.6 | Very low | 31.5 | Very low | 128 Ų | 128 | 146 Ų | 146 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 142.2 | -172.1 | 30.5 | -35 | 0 | 0 | 0 | 112.9 | ||
| 193 | Q | 31.3 | Very low | 31.6 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 148.4 | 168.5 | -62.4 | 177.4 | -2.3 | 0 | 0 | 110.3 | ||
| 194 | I | 31.6 | Very low | 32.5 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 120.7 | 162.4 | -62.5 | 177.8 | 0 | 0 | 0 | 106.7 | ||
| 195 | L | 34.3 | Very low | 32.6 | Very low | 143 Ų | 143 | 150 Ų | 150 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 145.8 | -177.5 | -74 | 88.8 | 0 | 0 | 0 | 111.8 | ||
| 196 | Q | 33.3 | Very low | 32.8 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 147 | 149.4 | -66.8 | 178 | -7.4 | 0 | 0 | 108.9 | H198 | Q196-H198 PolarHBondContact OE1-CE1 3.16Š|
| 197 | T | 26.7 | Very low | 33.3 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | -119.5 | 143.9 | 157.9 | 45.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 198 | H | 31.5 | Very low | 34 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | trans | -111.8 | 170.4 | -170.4 | -43.4 | -78.8 | 0 | 0 | 0 | 111.1 | Q196 | Q196-H198 PolarHBondContact OE1-CE1 3.16Š| ||
| 199 | S | 32.5 | Very low | 34.6 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | 72.9 | 155.6 | 170.4 | -46.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 200 | T | 27.6 | Very low | 35.7 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | cis | -124.7 | 164 | 4.3 | 44.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 201 | N | 40.5 | Very low | 37.1 | Very low | 171 Ų | 171 | 133 Ų | 133 | 91% | 0.914 | 77% | 0.766 | S | S | * | * | trans | -88.4 | 123 | 172.7 | -149.8 | 13 | 0 | 0 | 0 | 109.9 | ||||
| 202 | S | 32.9 | Very low | 39.4 | Very low | 96 Ų | 96 | 133 Ų | 133 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | trans | -160 | 115 | 174.6 | 57.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 203 | N | 30 | Very low | 41.8 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | trans | 64.1 | 132.9 | 164.1 | -142.2 | 41.5 | 0 | 0 | 0 | 118.6 | E205 | N203-E205 PolarHBondContact O-N 3.28Š| ||
| 204 | P | 46.4 | Very low | 44.7 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | trans | -88.3 | 81.8 | 175.3 | 35.2 | -32.4 | 0 | 0 | 0 | 111.4 | ||||
| 205 | E | 31.5 | Very low | 47.6 | Very low | 164 Ų | 164 | 126.2 Ų | 126.2 | 77% | 0.766 | 70% | 0.701 | S | S | * | * | trans | -98.2 | 121 | 171.8 | -163.5 | 164.1 | -173.8 | 0 | 0 | 110.6 | N203 S207 | N203-E205 PolarHBondContact O-N 3.28Å; E205-S207 VanDerWaalsContact C-N 3.25Å; E205-S207 PolarHBondContact O-N 2.86Å | ||
| 206 | G | 41.8 | Very low | 50.4 | Low | 77 Ų | 77 | 125.2 Ų | 125.2 | 79% | 0.794 | 70% | 0.703 | S | S | * | * | trans | -72.9 | 59.2 | -163 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 207 | S | 38.3 | Very low | 53.3 | Low | 106 Ų | 106 | 120 Ų | 120 | 74% | 0.741 | 68% | 0.677 | S | S | * | * | trans | -76 | 122.7 | 171.5 | 53.9 | 0 | 0 | 0 | 0 | 110.9 | E205 Q209 | E205-S207 VanDerWaalsContact C-N 3.25Å; E205-S207 PolarHBondContact O-N 2.86Å; S207-Q209 PolarHBondContact O-N 3.23Å; S207-Q209 VanDerWaalsContact O-N 3.08Å | ||
| 208 | H | 47.2 | Very low | 56.6 | Low | 152 Ų | 152 | 116.7 Ų | 116.7 | 70% | 0.704 | 66% | 0.659 | S | S | * | * | trans | -60.4 | 112.3 | -177.7 | -59.5 | -85.1 | 0 | 0 | 0 | 111.2 | ||||
| 209 | Q | 44.1 | Very low | 59.8 | Low | 175 Ų | 175 | 112.2 Ų | 112.2 | 82% | 0.818 | 64% | 0.637 | S | S | * | * | trans | -59.5 | 130.7 | 163.2 | -86.9 | -152.3 | -9.6 | 0 | 0 | 108.9 | S207 T211 | S207-Q209 PolarHBondContact O-N 3.23Å; S207-Q209 VanDerWaalsContact O-N 3.08Å; Q209-T211 PolarHBondContact O-N 2.7Å; Q209-T211 VanDerWaalsContact O-N 3.12Å | ||
| 210 | P | 54.5 | Low | 62.8 | Low | 96 Ų | 96 | 107.5 Ų | 107.5 | 62% | 0.623 | 60% | 0.603 | S | S | * | * | trans | -57.9 | 120.7 | 174.6 | -22.8 | 33.3 | 0 | 0 | 0 | 109.3 | L212 | P210-L212 PolarHBondContact O-N 3.28Š| ||
| 211 | T | 60.3 | Low | 66.1 | Low | 107 Ų | 107 | 102.4 Ų | 102.4 | 66% | 0.656 | 57% | 0.574 | S | S | * | * | trans | -67.3 | 97.8 | -175.3 | 50.4 | 0 | 0 | 0 | 0 | 110.2 | Q209 Q213 | Q209-T211 PolarHBondContact O-N 2.7Å; Q209-T211 VanDerWaalsContact O-N 3.12Å; T211-Q213 PolarHBondContact O-N 3.08Å | ||
| 212 | L | 76.1 | Confident | 68.8 | Low | 87 Ų | 87 | 94.2 Ų | 94.2 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | trans | -66.9 | 5.7 | 168.4 | -70.5 | 173 | 0 | 0 | 0 | 112.9 | P210 P249 Y250 V254 | P210-L212 PolarHBondContact O-N 3.28Å; L212-P249 HydrophobicContact CD2-CB 4.12Å; L212-Y250 WeakPolarHBondContact O-CD2 3.43Å; L212-V254 HydrophobicContact CB-CG2 4.45Å; L212-V254 HydrophobicContact CD2-CG2 4.4Å | ||
| 213 | Q | 86.4 | Confident | 71.8 | Confident | 154 Ų | 154 | 89.7 Ų | 89.7 | 72% | 0.72 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -74.8 | 159 | 166.7 | -60.1 | -173.8 | 9.4 | 0 | 0 | 110.8 | T211 Y250 | T211-Q213 PolarHBondContact O-N 3.08Å; Q213-Y250 WeakPolarHBondContact O-CB 3.32Å |
| 214 | R | 90.4 | Very high | 75 | Confident | 159 Ų | 159 | 84 Ų | 84 | 60% | 0.6 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 127.8 | 177 | -179.9 | 175.7 | 167.6 | -163.9 | -7.6 | 110.2 | Y250 | R214-Y250 HydrophobicContact CB-CD1 4.19Å; R214-Y250 HydrophobicContact CB-CD2 4.31Å; R214-Y250 HydrophobicContact CB-CE1 3.85Å; R214-Y250 HydrophobicContact CB-CE2 3.99Å; R214-Y250 HydrophobicContact CB-CG 4.41Å; R214-Y250 HydrophobicContact CG-CD1 4.24Å; R214-Y250 HydrophobicContact CG-CE1 3.77Å |
| 215 | P | 92.4 | Very high | 77.4 | Confident | 16 Ų | 16 | 78.1 Ų | 78.1 | 10% | 0.104 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 146.8 | 178.2 | -22.6 | 31.1 | 0 | 0 | 0 | 112.6 | Y217 F248 Y251 | P215-Y217 HydrophobicContact CB-CD2 3.87Å; P215-Y217 PolarHBondContact O-N 3.31Å; P215-F248 HydrophobicContact CB-CD1 3.77Å; P215-F248 HydrophobicContact CB-CE1 3.95Å; P215-F248 HydrophobicContact CB-CG 4.34Å; P215-F248 HydrophobicContact CG-CB 3.73Å; P215-F248 HydrophobicContact CG-CD1 3.36Å; P215-F248 HydrophobicContact CG-CE1 4.08Å; P215-F248 HydrophobicContact CG-CG 3.63Å; P215-Y251 HydrophobicContact CG-CE2 4.06Å |
| 216 | P | 93.8 | Very high | 80.5 | Confident | 121 Ų | 121 | 70.3 Ų | 70.3 | 79% | 0.786 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -76.5 | 38.3 | 179.3 | 34.6 | -37.9 | 0 | 0 | 0 | 112.8 | ||
| 217 | Y | 94.6 | Very high | 83.1 | Confident | 49 Ų | 49 | 66.7 Ų | 66.7 | 19% | 0.192 | 35% | 0.354 | C | S | . | . | trans | -126 | 142.2 | -174.2 | -56.8 | -50.3 | 0 | 0 | 0 | 111.5 | P215 F225 F248 L298 V301 | P215-Y217 HydrophobicContact CB-CD2 3.87Å; P215-Y217 PolarHBondContact O-N 3.31Å; Y217-F225 HydrophobicContact CD1-CE2 4.21Å; Y217-F225 HydrophobicContact CD1-CZ 4.39Å; Y217-F225 HydrophobicContact CD2-CE2 4.15Å; Y217-F225 HydrophobicContact CE2-CE2 4.46Å; Y217-F225 HydrophobicContact CG-CE2 4.02Å; Y217-F248 AromaticContact CD2-CE1 3.69Å; Y217-F248 HydrophobicContact CD2-CE1 3.69Å; Y217-F248 AromaticContact CD2-CZ 3.56Å; Y217-F248 HydrophobicContact CD2-CZ 3.56Å; Y217-F248 AromaticContact CE2-CE1 3.78Å; Y217-F248 HydrophobicContact CE2-CE1 3.78Å; Y217-F248 AromaticContact CE2-CZ 3.91Å; Y217-F248 HydrophobicContact CE2-CZ 3.91Å; Y217-L298 HydrophobicContact CE2-CD1 4.27Å; Y217-V301 HydrophobicContact CE1-CG1 3.56Å | ||
| 218 | S | 96.4 | Very high | 85.8 | Confident | 68 Ų | 68 | 61.9 Ų | 61.9 | 48% | 0.476 | 32% | 0.321 | S | S | . | . | trans | -72.5 | 157.9 | 172.1 | 69.3 | 0 | 0 | 0 | 0 | 111 | T220 A221 M222 | S218-T220 PolarHBondContact O-N 3.24Å; S218-A221 PolarHBondContact O-N 3.14Å; S218-A221 VanDerWaalsContact O-N 3.17Å; S218-A221 WeakPolarHBondContact OG-CB 3.21Å; S218-A221 PolarHBondContact OG-N 2.83Å; S218-A221 VanDerWaalsContact OG-N 3.08Å; S218-M222 PolarHBondContact O-N 2.82Å | ||
| 219 | Y | 97.3 | Very high | 88 | Confident | 47 Ų | 47 | 57.5 Ų | 57.5 | 18% | 0.184 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.9 | -40 | 172.7 | -70.4 | -59.7 | 0 | 0 | 0 | 111.6 | M222 I223 Y251 W259 S262 I263 | Y219-M222 HydrophobicContact CD1-CE 3.72Å; Y219-M222 HydrophobicContact CE1-CE 4.13Å; Y219-M222 HydrophobicContact CG-CE 4.46Å; Y219-M222 PolarHBondContact O-N 2.95Å; Y219-I223 WeakPolarHBondContact O-CB 3.42Å; Y219-I223 VanDerWaalsContact O-CD1 3.3Å; Y219-I223 WeakPolarHBondContact O-CD1 3.5Å; Y219-I223 WeakPolarHBondContact O-CG1 3.39Å; Y219-I223 PolarHBondContact O-N 3.39Å; Y219-Y251 AromaticContact CE1-CE1 3.81Å; Y219-Y251 HydrophobicContact CE1-CE1 3.81Å; Y219-Y251 AromaticContact CE1-CZ 4Å; Y219-W259 HydrophobicContact CE1-CB 4.46Å; Y219-S262 VanDerWaalsContact CE2-CB 3.43Å; Y219-I263 HydrophobicContact CD1-CD1 3.58Å; Y219-I263 HydrophobicContact CD1-CG1 4.32Å; Y219-I263 HydrophobicContact CE1-CD1 4.35Å; Y219-I263 HydrophobicContact CG-CD1 4.24Å |
| 220 | T | 97.1 | Very high | 90.3 | Very high | 20 Ų | 20 | 53 Ų | 53 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.1 | -49.1 | 173.4 | -53 | 0 | 0 | 0 | 0 | 112.2 | S218 I223 Q224 N266 H270 M272 F273 | S218-T220 PolarHBondContact O-N 3.24Å; T220-I223 PolarHBondContact O-N 2.98Å; T220-Q224 WeakPolarHBondContact O-CG 3.34Å; T220-Q224 PolarHBondContact O-N 2.79Å; T220-N266 PolarHBondContact OG1-OD1 2.62Å; T220-H270 PolarHBondContact OG1-CD2 3.01Å; T220-H270 PolarHBondContact OG1-NE2 2.97Å; T220-M272 HydrophobicContact CG2-CE 4.46Å; T220-M272 HydrophobicContact CG2-SD 3.68Å; T220-F273 HydrophobicContact CG2-CE2 3.92Å; T220-F273 HydrophobicContact CG2-CZ 3.84Å |
| 221 | A | 96.1 | Very high | 91.9 | Very high | 17 Ų | 17 | 58.8 Ų | 58.8 | 14% | 0.14 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S218 I223 Q224 F225 | S218-A221 PolarHBondContact O-N 3.14Å; S218-A221 VanDerWaalsContact O-N 3.17Å; S218-A221 WeakPolarHBondContact OG-CB 3.21Å; S218-A221 PolarHBondContact OG-N 2.83Å; S218-A221 VanDerWaalsContact OG-N 3.08Å; A221-I223 VanDerWaalsContact C-N 3.34Å; A221-I223 PolarHBondContact O-N 2.81Å; A221-Q224 WeakPolarHBondContact O-CB 3.36Å; A221-Q224 PolarHBondContact O-N 3.1Å; A221-Q224 VanDerWaalsContact O-N 3.12Å; A221-F225 HydrophobicContact CB-CE2 4.3Å; A221-F225 HydrophobicContact CB-CZ 4.16Å; A221-F225 WeakPolarHBondContact O-CD2 3.28Å; A221-F225 WeakPolarHBondContact O-CG 3.28Å; A221-F225 PolarHBondContact O-N 3.14Å |
| 222 | M | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 177.4 | -67.7 | -172.2 | -83.7 | 0 | 0 | 112.9 | S218 Y219 F225 A226 I244 F248 Y251 | S218-M222 PolarHBondContact O-N 2.82Å; Y219-M222 HydrophobicContact CD1-CE 3.72Å; Y219-M222 HydrophobicContact CE1-CE 4.13Å; Y219-M222 HydrophobicContact CG-CE 4.46Å; Y219-M222 PolarHBondContact O-N 2.95Å; M222-F225 PolarHBondContact O-N 3.29Å; M222-A226 WeakPolarHBondContact O-CB 3.48Å; M222-A226 PolarHBondContact O-N 3.11Å; M222-I244 HydrophobicContact CB-CD1 4.08Å; M222-I244 HydrophobicContact CB-CG1 4.31Å; M222-I244 HydrophobicContact SD-CG2 4.41Å; M222-F248 HydrophobicContact CB-CE2 4.28Å; M222-F248 HydrophobicContact CG-CD2 4.16Å; M222-F248 HydrophobicContact CG-CE2 3.58Å; M222-F248 HydrophobicContact CG-CZ 4.22Å; M222-F248 HydrophobicContact SD-CD2 3.61Å; M222-F248 HydrophobicContact SD-CE2 3.66Å; M222-F248 HydrophobicContact SD-CG 4.37Å; M222-F248 HydrophobicContact SD-CZ 4.45Å; M222-Y251 HydrophobicContact CE-CE2 3.71Å; M222-Y251 WeakPolarHBondContact CE-OH 3.33Å; M222-Y251 HydrophobicContact SD-CD2 4.31Å; M222-Y251 HydrophobicContact SD-CE2 3.6Å |
| 223 | I | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 173.3 | -67.2 | 159.4 | 0 | 0 | 0 | 110.6 | Y219 T220 A221 A226 I227 I240 I263 N266 L267 F273 | Y219-I223 WeakPolarHBondContact O-CB 3.42Å; Y219-I223 VanDerWaalsContact O-CD1 3.3Å; Y219-I223 WeakPolarHBondContact O-CD1 3.5Å; Y219-I223 WeakPolarHBondContact O-CG1 3.39Å; Y219-I223 PolarHBondContact O-N 3.39Å; T220-I223 PolarHBondContact O-N 2.98Å; A221-I223 VanDerWaalsContact C-N 3.34Å; A221-I223 PolarHBondContact O-N 2.81Å; I223-A226 PolarHBondContact O-N 2.82Å; I223-I227 HydrophobicContact CG2-CD1 3.73Å; I223-I227 HydrophobicContact CG2-CG1 4.4Å; I223-I227 WeakPolarHBondContact O-CG1 3.47Å; I223-I227 PolarHBondContact O-N 3.31Å; I223-I240 HydrophobicContact CG1-CG2 4.19Å; I223-I263 HydrophobicContact CD1-CD1 4.03Å; I223-I263 HydrophobicContact CD1-CG2 4.3Å; I223-I263 HydrophobicContact CG1-CD1 3.96Å; I223-I263 HydrophobicContact CG1-CG2 4.43Å; I223-N266 HydrophobicContact CD1-CB 3.86Å; I223-L267 HydrophobicContact CD1-CD2 4.27Å; I223-L267 HydrophobicContact CD1-CG 4.04Å; I223-L267 HydrophobicContact CG2-CD2 3.63Å; I223-F273 HydrophobicContact CB-CE1 4.14Å; I223-F273 HydrophobicContact CB-CE2 4.43Å; I223-F273 HydrophobicContact CB-CZ 3.81Å; I223-F273 HydrophobicContact CD1-CE2 4.35Å; I223-F273 HydrophobicContact CG2-CD1 3.89Å; I223-F273 HydrophobicContact CG2-CE1 3.39Å; I223-F273 HydrophobicContact CG2-CE2 4.1Å; I223-F273 HydrophobicContact CG2-CG 4.45Å; I223-F273 HydrophobicContact CG2-CZ 3.51Å |
| 224 | Q | 96.6 | Very high | 94.2 | Very high | 21 Ų | 21 | 51.5 Ų | 51.5 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.6 | -49.1 | 175.7 | -72 | 175 | -83 | 0 | 0 | 111.4 | T220 A221 A226 I227 N228 M272 F273 I288 | T220-Q224 WeakPolarHBondContact O-CG 3.34Å; T220-Q224 PolarHBondContact O-N 2.79Å; A221-Q224 WeakPolarHBondContact O-CB 3.36Å; A221-Q224 PolarHBondContact O-N 3.1Å; A221-Q224 VanDerWaalsContact O-N 3.12Å; Q224-A226 VanDerWaalsContact C-N 3.32Å; Q224-A226 PolarHBondContact O-N 3.31Å; Q224-I227 PolarHBondContact O-N 3.4Å; Q224-N228 WeakPolarHBondContact O-CB 3.23Å; Q224-N228 PolarHBondContact O-N 2.94Å; Q224-N228 PolarHBondContact O-ND2 2.88Å; Q224-M272 HydrophobicContact CG-CE 4.04Å; Q224-M272 VanDerWaalsContact NE2-CE 3.35Å; Q224-F273 HydrophobicContact CG-CE1 4.01Å; Q224-F273 HydrophobicContact CG-CZ 4.11Å; Q224-I288 HydrophobicContact CB-CD1 4.18Å; Q224-I288 HydrophobicContact CG-CD1 4.08Å |
| 225 | F | 96.1 | Very high | 94.5 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 2% | 0.022 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.2 | -45.4 | 176 | -53.3 | -33.3 | 0 | 0 | 0 | 111.4 | Y217 A221 M222 N228 S229 W243 F248 L296 L298 V301 | Y217-F225 HydrophobicContact CD1-CE2 4.21Å; Y217-F225 HydrophobicContact CD1-CZ 4.39Å; Y217-F225 HydrophobicContact CD2-CE2 4.15Å; Y217-F225 HydrophobicContact CE2-CE2 4.46Å; Y217-F225 HydrophobicContact CG-CE2 4.02Å; A221-F225 HydrophobicContact CB-CE2 4.3Å; A221-F225 HydrophobicContact CB-CZ 4.16Å; A221-F225 WeakPolarHBondContact O-CD2 3.28Å; A221-F225 WeakPolarHBondContact O-CG 3.28Å; A221-F225 PolarHBondContact O-N 3.14Å; M222-F225 PolarHBondContact O-N 3.29Å; F225-N228 PolarHBondContact O-N 2.79Å; F225-S229 WeakPolarHBondContact O-CB 3.5Å; F225-S229 PolarHBondContact O-N 3.08Å; F225-W243 HydrophobicContact CB-CH2 3.35Å; F225-W243 HydrophobicContact CB-CZ2 4Å; F225-W243 HydrophobicContact CB-CZ3 3.89Å; F225-W243 HydrophobicContact CD2-CH2 4.39Å; F225-W243 HydrophobicContact CG-CH2 4.35Å; F225-F248 HydrophobicContact CD2-CZ 4.46Å; F225-L296 HydrophobicContact CD1-CB 4.13Å; F225-L296 HydrophobicContact CE1-CB 4.07Å; F225-L298 HydrophobicContact CD2-CD1 3.9Å; F225-L298 HydrophobicContact CE2-CD1 4.03Å; F225-V301 HydrophobicContact CE1-CG2 3.78Å; F225-V301 HydrophobicContact CZ-CB 4.35Å; F225-V301 HydrophobicContact CZ-CG2 3.85Å |
| 226 | A | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -50.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M222 I223 Q224 S229 M235 W243 | M222-A226 WeakPolarHBondContact O-CB 3.48Å; M222-A226 PolarHBondContact O-N 3.11Å; I223-A226 PolarHBondContact O-N 2.82Å; Q224-A226 VanDerWaalsContact C-N 3.32Å; Q224-A226 PolarHBondContact O-N 3.31Å; A226-S229 PolarHBondContact O-OG 3.39Å; A226-M235 HydrophobicContact CB-SD 3.74Å; A226-W243 HydrophobicContact CB-CB 4.18Å; A226-W243 HydrophobicContact CB-CD2 3.61Å; A226-W243 HydrophobicContact CB-CE3 3.48Å; A226-W243 VanDerWaalsContact CB-CE3 3.48Å; A226-W243 HydrophobicContact CB-CG 3.9Å; A226-W243 HydrophobicContact CB-CZ3 4.17Å |
| 227 | I | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.8 | -38.3 | 179.4 | -64.4 | 170 | 0 | 0 | 0 | 111.1 | I223 Q224 R230 R233 M235 I240 F273 W286 I288 | I223-I227 HydrophobicContact CG2-CD1 3.73Å; I223-I227 HydrophobicContact CG2-CG1 4.4Å; I223-I227 WeakPolarHBondContact O-CG1 3.47Å; I223-I227 PolarHBondContact O-N 3.31Å; Q224-I227 PolarHBondContact O-N 3.4Å; I227-R230 PolarHBondContact O-N 2.83Å; I227-R233 WeakPolarHBondContact CG2-O 3.29Å; I227-M235 HydrophobicContact CG1-CB 4.14Å; I227-I240 HydrophobicContact CD1-CD1 4.46Å; I227-I240 HydrophobicContact CG1-CD1 4.36Å; I227-F273 HydrophobicContact CD1-CD1 4.07Å; I227-F273 HydrophobicContact CD1-CE1 4.3Å; I227-W286 HydrophobicContact CD1-CB 4.1Å; I227-I288 HydrophobicContact CB-CD1 4.17Å; I227-I288 HydrophobicContact CB-CG1 4.27Å; I227-I288 HydrophobicContact CD1-CG1 4.13Å; I227-I288 HydrophobicContact CG2-CD1 4.17Å; I227-I288 HydrophobicContact CG2-CG1 4.01Å |
| 228 | N | 95.1 | Very high | 95 | Very high | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.032 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -75.8 | -21.1 | -179.1 | -77.5 | -30 | 0 | 0 | 0 | 114.5 | Q224 F225 R230 R233 N293 L296 T297 | Q224-N228 WeakPolarHBondContact O-CB 3.23Å; Q224-N228 PolarHBondContact O-N 2.94Å; Q224-N228 PolarHBondContact O-ND2 2.88Å; F225-N228 PolarHBondContact O-N 2.79Å; N228-R230 PolarHBondContact O-N 3.33Å; N228-R230 VanDerWaalsContact O-N 3.16Å; N228-R233 PolarHBondContact OD1-NH1 3.41Å; N228-N293 PolarHBondContact ND2-OD1 3.35Å; N228-N293 PolarHBondContact OD1-ND2 3.38Å; N228-N293 PolarHBondContact OD1-OD1 3.11Å; N228-L296 WeakPolarHBondContact CB-O 3.18Å; N228-L296 PolarHBondContact ND2-N 2.85Å; N228-L296 PolarHBondContact ND2-O 3.02Å; N228-T297 HydrophobicContact CB-CG2 4.26Å |
| 229 | S | 93.6 | Very high | 95 | Very high | 59 Ų | 59 | 46.4 Ų | 46.4 | 41% | 0.413 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -22.3 | 172.4 | 74.4 | 0 | 0 | 0 | 0 | 113.3 | F225 A226 W243 | F225-S229 WeakPolarHBondContact O-CB 3.5Å; F225-S229 PolarHBondContact O-N 3.08Å; A226-S229 PolarHBondContact O-OG 3.39Å; S229-W243 PolarHBondContact OG-NE1 3.17Å |
| 230 | R | 92.6 | Very high | 95 | Very high | 80 Ų | 80 | 44.1 Ų | 44.1 | 30% | 0.302 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -99.2 | 135.8 | -176.7 | -63.9 | -171.3 | 157.4 | -167.5 | -4 | 112.8 | I227 N228 N232 R233 M235 E239 | I227-R230 PolarHBondContact O-N 2.83Å; N228-R230 PolarHBondContact O-N 3.33Å; N228-R230 VanDerWaalsContact O-N 3.16Å; R230-N232 WeakPolarHBondContact CB-OD1 3.42Å; R230-N232 PolarHBondContact O-N 3.37Å; R230-N232 VanDerWaalsContact O-N 3.12Å; R230-R233 PolarHBondContact O-N 2.99Å; R230-M235 HydrophobicContact CG-CE 4.31Å; R230-E239 IonicContact CZ-OE1 2.62Å; R230-E239 IonicContact CZ-OE2 2.69Å; R230-E239 IonicContact NH1-OE1 3.93Å; R230-E239 PolarHBondContact NH1-OE1 3.3Å; R230-E239 IonicContact NH1-OE2 2.81Å; R230-E239 PolarHBondContact NH1-OE2 2.89Å; R230-E239 VanDerWaalsContact NH1-OE2 3.11Å; R230-E239 IonicContact NH2-OE1 3.19Å; R230-E239 PolarHBondContact NH2-OE1 2.9Å; R230-E239 IonicContact NH2-OE2 3.86Å |
| 231 | K | 88.5 | Confident | 95 | Very high | 219 Ų | 219 | 44.8 Ų | 44.8 | 95% | 0.952 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27.9 | 175.8 | -62 | -175.7 | 179.7 | -177.5 | 0 | 113.9 | ||
| 232 | N | 87.5 | Confident | 95 | Very high | 99 Ų | 99 | 46.4 Ų | 46.4 | 53% | 0.529 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -0.8 | 176.5 | 75.9 | -33.4 | 0 | 0 | 0 | 114.2 | R230 G234 | R230-N232 WeakPolarHBondContact CB-OD1 3.42Å; R230-N232 PolarHBondContact O-N 3.37Å; R230-N232 VanDerWaalsContact O-N 3.12Å; N232-G234 PolarHBondContact ND2-O 3.09Å; N232-G234 PolarHBondContact O-N 3Å; N232-G234 PolarHBondContact OD1-N 3.48Å; N232-G234 PolarHBondContact OD1-O 2.7Å; N232-G234 VanDerWaalsContact OD1-O 3.13Å |
| 233 | R | 90.1 | Very high | 95 | Very high | 94 Ų | 94 | 47.3 Ų | 47.3 | 36% | 0.355 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 48.4 | 30.9 | -175.5 | -56 | -67.4 | -178.4 | 161.3 | -5.2 | 114 | I227 N228 R230 | I227-R233 WeakPolarHBondContact CG2-O 3.29Å; N228-R233 PolarHBondContact OD1-NH1 3.41Å; R230-R233 PolarHBondContact O-N 2.99Å |
| 234 | G | 93.6 | Very high | 95 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 119.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N232 W286 | N232-G234 PolarHBondContact ND2-O 3.09Å; N232-G234 PolarHBondContact O-N 3Å; N232-G234 PolarHBondContact OD1-N 3.48Å; N232-G234 PolarHBondContact OD1-O 2.7Å; N232-G234 VanDerWaalsContact OD1-O 3.13Å; G234-W286 WeakPolarHBondContact CA-O 3.46Å |
| 235 | M | 95.9 | Very high | 94.9 | Very high | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 135.8 | -171.7 | -164.1 | 178.5 | -125.3 | 0 | 0 | 111.6 | A226 I227 R230 E239 I240 W243 W286 | A226-M235 HydrophobicContact CB-SD 3.74Å; I227-M235 HydrophobicContact CG1-CB 4.14Å; R230-M235 HydrophobicContact CG-CE 4.31Å; M235-E239 HydrophobicContact CE-CB 4.18Å; M235-E239 HydrophobicContact CG-CB 3.52Å; M235-E239 HydrophobicContact SD-CB 4.26Å; M235-I240 HydrophobicContact CB-CG1 4.01Å; M235-I240 HydrophobicContact CG-CG1 3.78Å; M235-I240 HydrophobicContact SD-CB 4.29Å; M235-I240 HydrophobicContact SD-CG1 3.59Å; M235-I240 VanDerWaalsContact SD-CG1 3.59Å; M235-W243 HydrophobicContact CE-CB 3.74Å; M235-W243 HydrophobicContact CE-CG 3.95Å; M235-W243 HydrophobicContact SD-CB 4.35Å; M235-W286 PolarHBondContact N-O 3.48Å; M235-W286 PolarHBondContact O-N 3.3Å |
| 236 | T | 96.9 | Very high | 94.9 | Very high | 37 Ų | 37 | 52.1 Ų | 52.1 | 23% | 0.227 | 25% | 0.249 | C | C | . | . | trans | -75.8 | 157.6 | 175.6 | 70.5 | 0 | 0 | 0 | 0 | 111.1 | K238 E239 I240 | T236-K238 PolarHBondContact O-N 3.07Å; T236-K238 VanDerWaalsContact O-N 3.14Å; T236-E239 WeakPolarHBondContact CA-OE2 3.46Å; T236-E239 VanDerWaalsContact CB-OE2 3.23Å; T236-E239 WeakPolarHBondContact CB-OE2 3.37Å; T236-E239 VanDerWaalsContact CG2-OE2 3.28Å; T236-E239 WeakPolarHBondContact CG2-OE2 3.15Å; T236-E239 PolarHBondContact N-OE2 3.41Å; T236-E239 PolarHBondContact O-N 2.83Å; T236-E239 WeakPolarHBondContact OG1-CG 3.22Å; T236-E239 PolarHBondContact OG1-OE2 3.17Å; T236-I240 PolarHBondContact O-N 2.8Å | ||
| 237 | L | 96.9 | Very high | 94.7 | Very high | 52 Ų | 52 | 56 Ų | 56 | 27% | 0.272 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -55.4 | -33.3 | -180 | 179.7 | 62.4 | 0 | 0 | 0 | 113.6 | Y241 I263 R264 L267 | L237-Y241 HydrophobicContact CD1-CE1 3.82Å; L237-Y241 HydrophobicContact CD1-CE2 4.35Å; L237-Y241 HydrophobicContact CG-CE1 4.31Å; L237-Y241 HydrophobicContact CG-CE2 3.94Å; L237-Y241 WeakPolarHBondContact O-CD2 3.45Å; L237-Y241 PolarHBondContact O-N 3.3Å; L237-I263 HydrophobicContact CD1-CG2 4.16Å; L237-R264 HydrophobicContact CD1-CG 4.05Å; L237-R264 HydrophobicContact CD2-CG 3.93Å; L237-L267 HydrophobicContact CD1-CD1 3.6Å |
| 238 | K | 97 | Very high | 94.6 | Very high | 159 Ų | 159 | 56.9 Ų | 56.9 | 69% | 0.691 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -66.2 | -43.8 | 175.6 | -175.1 | -171.1 | 174 | -168.9 | 0 | 111.1 | T236 I240 Y241 T242 | T236-K238 PolarHBondContact O-N 3.07Å; T236-K238 VanDerWaalsContact O-N 3.14Å; K238-I240 VanDerWaalsContact C-N 3.34Å; K238-Y241 WeakPolarHBondContact O-CB 3.45Å; K238-Y241 PolarHBondContact O-N 2.92Å; K238-T242 PolarHBondContact O-N 2.91Å; K238-T242 VanDerWaalsContact O-N 3.11Å |
| 239 | E | 96.9 | Very high | 94.5 | Very high | 53 Ų | 53 | 58.6 Ų | 58.6 | 25% | 0.248 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -72.7 | -29 | -176.4 | -63.5 | 162.9 | 126.2 | 0 | 0 | 111.9 | R230 M235 T236 T242 W243 | R230-E239 IonicContact CZ-OE1 2.62Å; R230-E239 IonicContact CZ-OE2 2.69Å; R230-E239 IonicContact NH1-OE1 3.93Å; R230-E239 PolarHBondContact NH1-OE1 3.3Å; R230-E239 IonicContact NH1-OE2 2.81Å; R230-E239 PolarHBondContact NH1-OE2 2.89Å; R230-E239 VanDerWaalsContact NH1-OE2 3.11Å; R230-E239 IonicContact NH2-OE1 3.19Å; R230-E239 PolarHBondContact NH2-OE1 2.9Å; R230-E239 IonicContact NH2-OE2 3.86Å; M235-E239 HydrophobicContact CE-CB 4.18Å; M235-E239 HydrophobicContact CG-CB 3.52Å; M235-E239 HydrophobicContact SD-CB 4.26Å; T236-E239 WeakPolarHBondContact CA-OE2 3.46Å; T236-E239 VanDerWaalsContact CB-OE2 3.23Å; T236-E239 WeakPolarHBondContact CB-OE2 3.37Å; T236-E239 VanDerWaalsContact CG2-OE2 3.28Å; T236-E239 WeakPolarHBondContact CG2-OE2 3.15Å; T236-E239 PolarHBondContact N-OE2 3.41Å; T236-E239 PolarHBondContact O-N 2.83Å; T236-E239 WeakPolarHBondContact OG1-CG 3.22Å; T236-E239 PolarHBondContact OG1-OE2 3.17Å; E239-T242 WeakPolarHBondContact CA-OG1 3.3Å; E239-T242 PolarHBondContact O-OG1 3.16Å; E239-W243 VanDerWaalsContact O-CB 3.24Å; E239-W243 WeakPolarHBondContact O-CB 3.5Å; E239-W243 PolarHBondContact O-N 3.3Å |
| 240 | I | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 169.2 | -64.2 | 170.2 | 0 | 0 | 0 | 110.4 | I223 I227 M235 T236 K238 I244 I263 L267 W286 | I223-I240 HydrophobicContact CG1-CG2 4.19Å; I227-I240 HydrophobicContact CD1-CD1 4.46Å; I227-I240 HydrophobicContact CG1-CD1 4.36Å; M235-I240 HydrophobicContact CB-CG1 4.01Å; M235-I240 HydrophobicContact CG-CG1 3.78Å; M235-I240 HydrophobicContact SD-CB 4.29Å; M235-I240 HydrophobicContact SD-CG1 3.59Å; M235-I240 VanDerWaalsContact SD-CG1 3.59Å; T236-I240 PolarHBondContact O-N 2.8Å; K238-I240 VanDerWaalsContact C-N 3.34Å; I240-I244 HydrophobicContact CG2-CD1 4.02Å; I240-I244 WeakPolarHBondContact O-CG1 3.44Å; I240-I244 PolarHBondContact O-N 3.37Å; I240-I244 VanDerWaalsContact O-N 3.17Å; I240-I263 HydrophobicContact CG2-CG2 4.03Å; I240-L267 HydrophobicContact CD1-CD1 4.16Å; I240-L267 HydrophobicContact CD1-CD2 4.25Å; I240-W286 HydrophobicContact CD1-CB 4.13Å; I240-W286 HydrophobicContact CD1-CG 4.34Å |
| 241 | Y | 97.2 | Very high | 94.6 | Very high | 33 Ų | 33 | 54.6 Ų | 54.6 | 13% | 0.129 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.9 | -50.2 | 175.4 | -57.8 | -40 | 0 | 0 | 0 | 111.4 | L237 K238 W243 I244 E245 W259 K260 I263 R264 | L237-Y241 HydrophobicContact CD1-CE1 3.82Å; L237-Y241 HydrophobicContact CD1-CE2 4.35Å; L237-Y241 HydrophobicContact CG-CE1 4.31Å; L237-Y241 HydrophobicContact CG-CE2 3.94Å; L237-Y241 WeakPolarHBondContact O-CD2 3.45Å; L237-Y241 PolarHBondContact O-N 3.3Å; K238-Y241 WeakPolarHBondContact O-CB 3.45Å; K238-Y241 PolarHBondContact O-N 2.92Å; Y241-W243 PolarHBondContact O-N 3.5Å; Y241-I244 PolarHBondContact O-N 3.23Å; Y241-E245 VanDerWaalsContact O-CG 3.29Å; Y241-E245 WeakPolarHBondContact O-CG 3.37Å; Y241-E245 PolarHBondContact O-N 3.11Å; Y241-W259 HydrophobicContact CD1-CH2 4.36Å; Y241-W259 HydrophobicContact CD1-CZ3 4.12Å; Y241-K260 HydrophobicContact CD1-CB 4.2Å; Y241-K260 HydrophobicContact CD1-CD 4.29Å; Y241-K260 HydrophobicContact CD1-CG 3.9Å; Y241-K260 HydrophobicContact CD2-CD 4.37Å; Y241-K260 HydrophobicContact CE1-CB 3.71Å; Y241-K260 HydrophobicContact CE1-CD 4.48Å; Y241-K260 HydrophobicContact CE1-CG 3.96Å; Y241-K260 HydrophobicContact CG-CD 4.24Å; Y241-K260 HydrophobicContact CG-CG 4.35Å; Y241-K260 PolarHBondContact OH-O 3.49Å; Y241-I263 HydrophobicContact CD1-CG2 4.26Å; Y241-I263 HydrophobicContact CE1-CB 4.1Å; Y241-I263 HydrophobicContact CE1-CG2 3.94Å; Y241-R264 WeakPolarHBondContact OH-CG 3.29Å; Y241-R264 PolarHBondContact OH-NH1 3.16Å |
| 242 | T | 97.1 | Very high | 94.8 | Very high | 52 Ų | 52 | 51 Ų | 51 | 32% | 0.319 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.4 | -43.1 | -178.2 | 57 | 0 | 0 | 0 | 0 | 111.3 | K238 E239 I244 E245 D246 | K238-T242 PolarHBondContact O-N 2.91Å; K238-T242 VanDerWaalsContact O-N 3.11Å; E239-T242 WeakPolarHBondContact CA-OG1 3.3Å; E239-T242 PolarHBondContact O-OG1 3.16Å; T242-I244 VanDerWaalsContact C-N 3.27Å; T242-I244 PolarHBondContact O-N 3.31Å; T242-E245 CarbonylContact O-C 3.6Å; T242-E245 WeakPolarHBondContact O-CA 3.29Å; T242-E245 WeakPolarHBondContact O-CB 3.24Å; T242-E245 PolarHBondContact O-N 2.77Å; T242-D246 WeakPolarHBondContact O-CB 3.33Å; T242-D246 PolarHBondContact O-N 2.97Å; T242-D246 VanDerWaalsContact O-OD2 3.04Å |
| 243 | W | 96.7 | Very high | 94.7 | Very high | 19 Ų | 19 | 52.5 Ų | 52.5 | 7% | 0.072 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.3 | -41.6 | 177.4 | -170.9 | 97.3 | 0 | 0 | 0 | 111.9 | F225 A226 S229 M235 E239 Y241 D246 H247 F248 L298 | F225-W243 HydrophobicContact CB-CH2 3.35Å; F225-W243 HydrophobicContact CB-CZ2 4Å; F225-W243 HydrophobicContact CB-CZ3 3.89Å; F225-W243 HydrophobicContact CD2-CH2 4.39Å; F225-W243 HydrophobicContact CG-CH2 4.35Å; A226-W243 HydrophobicContact CB-CB 4.18Å; A226-W243 HydrophobicContact CB-CD2 3.61Å; A226-W243 HydrophobicContact CB-CE3 3.48Å; A226-W243 VanDerWaalsContact CB-CE3 3.48Å; A226-W243 HydrophobicContact CB-CG 3.9Å; A226-W243 HydrophobicContact CB-CZ3 4.17Å; S229-W243 PolarHBondContact OG-NE1 3.17Å; M235-W243 HydrophobicContact CE-CB 3.74Å; M235-W243 HydrophobicContact CE-CG 3.95Å; M235-W243 HydrophobicContact SD-CB 4.35Å; E239-W243 VanDerWaalsContact O-CB 3.24Å; E239-W243 WeakPolarHBondContact O-CB 3.5Å; E239-W243 PolarHBondContact O-N 3.3Å; Y241-W243 PolarHBondContact O-N 3.5Å; W243-D246 PolarHBondContact O-N 3.35Å; W243-H247 AromaticContact CD1-CE1 3.39Å; W243-H247 AromaticContact CD1-ND1 3.76Å; W243-H247 AromaticContact CD2-CE1 3.84Å; W243-H247 AromaticContact CD2-ND1 3.5Å; W243-H247 AromaticContact CE2-CD2 3.89Å; W243-H247 AromaticContact CE2-CE1 3.38Å; W243-H247 AromaticContact CE2-CG 3.76Å; W243-H247 AromaticContact CE2-ND1 3.41Å; W243-H247 AromaticContact CE2-NE2 3.65Å; W243-H247 HydrophobicContact CE3-CB 4.47Å; W243-H247 AromaticContact CG-CE1 3.84Å; W243-H247 AromaticContact CG-ND1 3.73Å; W243-H247 HydrophobicContact CH2-CB 4.14Å; W243-H247 AromaticContact CH2-CG 3.96Å; W243-H247 HydrophobicContact CZ2-CB 4.39Å; W243-H247 AromaticContact CZ2-CD2 3.64Å; W243-H247 AromaticContact CZ2-CE1 3.94Å; W243-H247 AromaticContact CZ2-CG 3.71Å; W243-H247 AromaticContact CZ2-ND1 3.88Å; W243-H247 AromaticContact CZ2-NE2 3.78Å; W243-H247 HydrophobicContact CZ3-CB 4.22Å; W243-H247 AromaticContact NE1-CE1 3.09Å; W243-H247 PolarHBondContact NE1-CE1 3.37Å; W243-H247 AromaticContact NE1-ND1 3.59Å; W243-H247 AromaticContact NE1-NE2 3.48Å; W243-H247 PolarHBondContact NE1-NE2 3.04Å; W243-H247 PolarHBondContact O-N 2.85Å; W243-H247 PolarHBondContact O-ND1 3.02Å; W243-F248 HydrophobicContact CH2-CE2 4.41Å; W243-F248 AromaticContact CZ3-CE2 3.92Å; W243-F248 HydrophobicContact CZ3-CE2 3.92Å; W243-L298 HydrophobicContact CH2-CB 4.2Å; W243-L298 HydrophobicContact CH2-CD2 4.16Å; W243-L298 HydrophobicContact CZ2-CB 4.35Å; W243-L298 HydrophobicContact CZ2-CD2 4.47Å |
| 244 | I | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.5 | -39.7 | 175.7 | -67.2 | 174.5 | 0 | 0 | 0 | 111.4 | M222 I240 Y241 T242 D246 F248 Y251 W259 I263 | M222-I244 HydrophobicContact CB-CD1 4.08Å; M222-I244 HydrophobicContact CB-CG1 4.31Å; M222-I244 HydrophobicContact SD-CG2 4.41Å; I240-I244 HydrophobicContact CG2-CD1 4.02Å; I240-I244 WeakPolarHBondContact O-CG1 3.44Å; I240-I244 PolarHBondContact O-N 3.37Å; I240-I244 VanDerWaalsContact O-N 3.17Å; Y241-I244 PolarHBondContact O-N 3.23Å; T242-I244 VanDerWaalsContact C-N 3.27Å; T242-I244 PolarHBondContact O-N 3.31Å; I244-D246 VanDerWaalsContact C-N 3.25Å; I244-D246 PolarHBondContact O-N 2.93Å; I244-F248 HydrophobicContact CG2-CD2 4.39Å; I244-F248 WeakPolarHBondContact O-CA 3.48Å; I244-F248 WeakPolarHBondContact O-CB 3.47Å; I244-F248 PolarHBondContact O-N 2.79Å; I244-Y251 HydrophobicContact CG2-CD2 3.62Å; I244-Y251 HydrophobicContact CG2-CE2 4.36Å; I244-Y251 HydrophobicContact CG2-CG 3.82Å; I244-W259 HydrophobicContact CB-CH2 4.33Å; I244-W259 HydrophobicContact CB-CZ3 4.31Å; I244-W259 HydrophobicContact CG2-CH2 4.12Å; I244-W259 HydrophobicContact CG2-CZ3 3.96Å; I244-I263 HydrophobicContact CD1-CD1 3.49Å; I244-I263 VanDerWaalsContact CD1-CD1 3.49Å; I244-I263 HydrophobicContact CD1-CG1 4.34Å |
| 245 | E | 95.3 | Very high | 94.6 | Very high | 36 Ų | 36 | 52.5 Ų | 52.5 | 17% | 0.168 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.4 | -23.9 | 174.8 | -70.4 | 165.3 | 161.9 | 0 | 0 | 113.9 | Y241 T242 R252 W259 K260 | Y241-E245 VanDerWaalsContact O-CG 3.29Å; Y241-E245 WeakPolarHBondContact O-CG 3.37Å; Y241-E245 PolarHBondContact O-N 3.11Å; T242-E245 CarbonylContact O-C 3.6Å; T242-E245 WeakPolarHBondContact O-CA 3.29Å; T242-E245 WeakPolarHBondContact O-CB 3.24Å; T242-E245 PolarHBondContact O-N 2.77Å; E245-R252 HydrophobicContact CB-CB 4.3Å; E245-R252 PolarHBondContact O-NE 3Å; E245-R252 VanDerWaalsContact O-NE 3.13Å; E245-W259 HydrophobicContact CG-CH2 3.89Å; E245-W259 HydrophobicContact CG-CZ2 3.65Å; E245-W259 WeakPolarHBondContact OE1-CZ2 3.41Å; E245-K260 WeakPolarHBondContact OE1-CE 3.47Å; E245-K260 IonicContact OE1-NZ 3.95Å; E245-K260 PolarHBondContact OE1-NZ 3.5Å |
| 246 | D | 94.8 | Very high | 94.3 | Very high | 90 Ų | 90 | 61 Ų | 61 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -91.7 | -36.1 | -177.4 | -63.6 | -26.2 | 0 | 0 | 0 | 112.2 | T242 W243 I244 R252 | T242-D246 WeakPolarHBondContact O-CB 3.33Å; T242-D246 PolarHBondContact O-N 2.97Å; T242-D246 VanDerWaalsContact O-OD2 3.04Å; W243-D246 PolarHBondContact O-N 3.35Å; I244-D246 VanDerWaalsContact C-N 3.25Å; I244-D246 PolarHBondContact O-N 2.93Å; D246-R252 IonicContact OD1-CZ 2.71Å; D246-R252 IonicContact OD1-NH2 2.7Å; D246-R252 PolarHBondContact OD1-NH2 2.83Å |
| 247 | H | 93.5 | Very high | 94 | Very high | 83 Ų | 83 | 64.9 Ų | 64.9 | 38% | 0.384 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -93.3 | -18.2 | -179.7 | -62.3 | 70.7 | 0 | 0 | 0 | 113.2 | W243 L298 | W243-H247 AromaticContact CD1-CE1 3.39Å; W243-H247 AromaticContact CD1-ND1 3.76Å; W243-H247 AromaticContact CD2-CE1 3.84Å; W243-H247 AromaticContact CD2-ND1 3.5Å; W243-H247 AromaticContact CE2-CD2 3.89Å; W243-H247 AromaticContact CE2-CE1 3.38Å; W243-H247 AromaticContact CE2-CG 3.76Å; W243-H247 AromaticContact CE2-ND1 3.41Å; W243-H247 AromaticContact CE2-NE2 3.65Å; W243-H247 HydrophobicContact CE3-CB 4.47Å; W243-H247 AromaticContact CG-CE1 3.84Å; W243-H247 AromaticContact CG-ND1 3.73Å; W243-H247 HydrophobicContact CH2-CB 4.14Å; W243-H247 AromaticContact CH2-CG 3.96Å; W243-H247 HydrophobicContact CZ2-CB 4.39Å; W243-H247 AromaticContact CZ2-CD2 3.64Å; W243-H247 AromaticContact CZ2-CE1 3.94Å; W243-H247 AromaticContact CZ2-CG 3.71Å; W243-H247 AromaticContact CZ2-ND1 3.88Å; W243-H247 AromaticContact CZ2-NE2 3.78Å; W243-H247 HydrophobicContact CZ3-CB 4.22Å; W243-H247 AromaticContact NE1-CE1 3.09Å; W243-H247 PolarHBondContact NE1-CE1 3.37Å; W243-H247 AromaticContact NE1-ND1 3.59Å; W243-H247 AromaticContact NE1-NE2 3.48Å; W243-H247 PolarHBondContact NE1-NE2 3.04Å; W243-H247 PolarHBondContact O-N 2.85Å; W243-H247 PolarHBondContact O-ND1 3.02Å; H247-L298 HydrophobicContact CB-CD2 3.99Å |
| 248 | F | 93.9 | Very high | 93.8 | Very high | 17 Ų | 17 | 64.7 Ų | 64.7 | 8% | 0.075 | 33% | 0.328 | C | S | . | . | trans | -135.3 | 84.3 | -178.5 | -58.9 | -61 | 0 | 0 | 0 | 111.1 | P215 Y217 M222 F225 W243 I244 Y250 Y251 L298 | P215-F248 HydrophobicContact CB-CD1 3.77Å; P215-F248 HydrophobicContact CB-CE1 3.95Å; P215-F248 HydrophobicContact CB-CG 4.34Å; P215-F248 HydrophobicContact CG-CB 3.73Å; P215-F248 HydrophobicContact CG-CD1 3.36Å; P215-F248 HydrophobicContact CG-CE1 4.08Å; P215-F248 HydrophobicContact CG-CG 3.63Å; Y217-F248 AromaticContact CD2-CE1 3.69Å; Y217-F248 HydrophobicContact CD2-CE1 3.69Å; Y217-F248 AromaticContact CD2-CZ 3.56Å; Y217-F248 HydrophobicContact CD2-CZ 3.56Å; Y217-F248 AromaticContact CE2-CE1 3.78Å; Y217-F248 HydrophobicContact CE2-CE1 3.78Å; Y217-F248 AromaticContact CE2-CZ 3.91Å; Y217-F248 HydrophobicContact CE2-CZ 3.91Å; M222-F248 HydrophobicContact CB-CE2 4.28Å; M222-F248 HydrophobicContact CG-CD2 4.16Å; M222-F248 HydrophobicContact CG-CE2 3.58Å; M222-F248 HydrophobicContact CG-CZ 4.22Å; M222-F248 HydrophobicContact SD-CD2 3.61Å; M222-F248 HydrophobicContact SD-CE2 3.66Å; M222-F248 HydrophobicContact SD-CG 4.37Å; M222-F248 HydrophobicContact SD-CZ 4.45Å; F225-F248 HydrophobicContact CD2-CZ 4.46Å; W243-F248 HydrophobicContact CH2-CE2 4.41Å; W243-F248 AromaticContact CZ3-CE2 3.92Å; W243-F248 HydrophobicContact CZ3-CE2 3.92Å; I244-F248 HydrophobicContact CG2-CD2 4.39Å; I244-F248 WeakPolarHBondContact O-CA 3.48Å; I244-F248 WeakPolarHBondContact O-CB 3.47Å; I244-F248 PolarHBondContact O-N 2.79Å; F248-Y250 PolarHBondContact O-N 3.1Å; F248-Y251 HydrophobicContact CB-CD2 3.82Å; F248-Y251 HydrophobicContact CB-CE2 4.41Å; F248-Y251 PolarHBondContact O-N 3.33Å; F248-L298 HydrophobicContact CE1-CD1 4.16Å; F248-L298 HydrophobicContact CZ-CD1 3.66Å; F248-L298 HydrophobicContact CZ-CD2 4.46Å | ||
| 249 | P | 92.4 | Very high | 93.8 | Very high | 43 Ų | 43 | 57.7 Ų | 57.7 | 28% | 0.279 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -29.7 | -173.9 | -30.8 | 37.1 | 0 | 0 | 0 | 115.4 | L212 Y251 R252 E253 | L212-P249 HydrophobicContact CD2-CB 4.12Å; P249-Y251 PolarHBondContact O-N 2.91Å; P249-Y251 VanDerWaalsContact O-N 3.12Å; P249-R252 WeakPolarHBondContact O-CB 3.43Å; P249-R252 PolarHBondContact O-N 3.25Å; P249-E253 PolarHBondContact O-N 3.07Å |
| 250 | Y | 94 | Very high | 93.8 | Very high | 51 Ų | 51 | 58.2 Ų | 58.2 | 20% | 0.2 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -44.2 | -42.3 | 169 | 172.9 | -100.8 | 0 | 0 | 0 | 113.6 | L212 Q213 R214 F248 R252 V254 A255 | L212-Y250 WeakPolarHBondContact O-CD2 3.43Å; Q213-Y250 WeakPolarHBondContact O-CB 3.32Å; R214-Y250 HydrophobicContact CB-CD1 4.19Å; R214-Y250 HydrophobicContact CB-CD2 4.31Å; R214-Y250 HydrophobicContact CB-CE1 3.85Å; R214-Y250 HydrophobicContact CB-CE2 3.99Å; R214-Y250 HydrophobicContact CB-CG 4.41Å; R214-Y250 HydrophobicContact CG-CD1 4.24Å; R214-Y250 HydrophobicContact CG-CE1 3.77Å; F248-Y250 PolarHBondContact O-N 3.1Å; Y250-R252 VanDerWaalsContact C-N 3.33Å; Y250-R252 PolarHBondContact O-N 3.44Å; Y250-V254 HydrophobicContact CD2-CB 3.68Å; Y250-V254 HydrophobicContact CD2-CG1 3.88Å; Y250-V254 HydrophobicContact CD2-CG2 4.39Å; Y250-V254 HydrophobicContact CE2-CB 3.93Å; Y250-V254 HydrophobicContact CE2-CG1 3.69Å; Y250-V254 PolarHBondContact O-N 3.41Å; Y250-A255 HydrophobicContact CD1-CB 4.11Å; Y250-A255 HydrophobicContact CE1-CB 3.75Å; Y250-A255 WeakPolarHBondContact O-CB 3.43Å; Y250-A255 PolarHBondContact O-N 3.36Å |
| 251 | Y | 94.2 | Very high | 93.8 | Very high | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -78 | -15.1 | -178.2 | -71.2 | -70.2 | 0 | 0 | 0 | 114.5 | P215 Y219 M222 I244 F248 P249 A255 W259 | P215-Y251 HydrophobicContact CG-CE2 4.06Å; Y219-Y251 AromaticContact CE1-CE1 3.81Å; Y219-Y251 HydrophobicContact CE1-CE1 3.81Å; Y219-Y251 AromaticContact CE1-CZ 4Å; M222-Y251 HydrophobicContact CE-CE2 3.71Å; M222-Y251 WeakPolarHBondContact CE-OH 3.33Å; M222-Y251 HydrophobicContact SD-CD2 4.31Å; M222-Y251 HydrophobicContact SD-CE2 3.6Å; I244-Y251 HydrophobicContact CG2-CD2 3.62Å; I244-Y251 HydrophobicContact CG2-CE2 4.36Å; I244-Y251 HydrophobicContact CG2-CG 3.82Å; F248-Y251 HydrophobicContact CB-CD2 3.82Å; F248-Y251 HydrophobicContact CB-CE2 4.41Å; F248-Y251 PolarHBondContact O-N 3.33Å; P249-Y251 PolarHBondContact O-N 2.91Å; P249-Y251 VanDerWaalsContact O-N 3.12Å; Y251-A255 HydrophobicContact CD1-CB 3.63Å; Y251-A255 HydrophobicContact CE1-CB 4.2Å; Y251-A255 HydrophobicContact CG-CB 4.4Å; Y251-W259 HydrophobicContact CD1-CB 4.03Å; Y251-W259 AromaticContact CD1-CD2 3.76Å; Y251-W259 HydrophobicContact CD1-CD2 3.76Å; Y251-W259 HydrophobicContact CD1-CE3 4.15Å; Y251-W259 AromaticContact CD1-CG 3.73Å; Y251-W259 HydrophobicContact CD1-CG 3.73Å; Y251-W259 HydrophobicContact CE1-CB 4.15Å; Y251-W259 HydrophobicContact CE1-CG 4.34Å; Y251-W259 HydrophobicContact CG-CD2 4.41Å; Y251-W259 WeakPolarHBondContact O-CZ2 3.24Å; Y251-W259 PolarHBondContact O-NE1 3.26Å |
| 252 | R | 92.3 | Very high | 93.8 | Very high | 143 Ų | 143 | 62.9 Ų | 62.9 | 54% | 0.54 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -83.8 | -42.4 | 174.5 | -173.5 | -174.1 | -73.6 | -168.2 | -7.2 | 111.8 | E245 D246 P249 Y250 | E245-R252 HydrophobicContact CB-CB 4.3Å; E245-R252 PolarHBondContact O-NE 3Å; E245-R252 VanDerWaalsContact O-NE 3.13Å; D246-R252 IonicContact OD1-CZ 2.71Å; D246-R252 IonicContact OD1-NH2 2.7Å; D246-R252 PolarHBondContact OD1-NH2 2.83Å; P249-R252 WeakPolarHBondContact O-CB 3.43Å; P249-R252 PolarHBondContact O-N 3.25Å; Y250-R252 VanDerWaalsContact C-N 3.33Å; Y250-R252 PolarHBondContact O-N 3.44Å |
| 253 | E | 87.1 | Confident | 93.8 | Very high | 130 Ų | 130 | 60.4 Ų | 60.4 | 61% | 0.607 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -115.1 | -38.6 | -165.1 | -71.4 | 163.4 | -148.4 | 0 | 0 | 114.4 | P249 | P249-E253 PolarHBondContact O-N 3.07Å |
| 254 | V | 90.6 | Very high | 93.9 | Very high | 81 Ų | 81 | 64.3 Ų | 64.3 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -32.9 | -169.4 | -174.2 | 0 | 0 | 0 | 0 | 112.5 | L212 Y250 K256 | L212-V254 HydrophobicContact CB-CG2 4.45Å; L212-V254 HydrophobicContact CD2-CG2 4.4Å; Y250-V254 HydrophobicContact CD2-CB 3.68Å; Y250-V254 HydrophobicContact CD2-CG1 3.88Å; Y250-V254 HydrophobicContact CD2-CG2 4.39Å; Y250-V254 HydrophobicContact CE2-CB 3.93Å; Y250-V254 HydrophobicContact CE2-CG1 3.69Å; Y250-V254 PolarHBondContact O-N 3.41Å; V254-K256 PolarHBondContact O-N 3.39Å |
| 255 | A | 90.2 | Very high | 93.9 | Very high | 15 Ų | 15 | 69.4 Ų | 69.4 | 12% | 0.124 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -74.1 | 127.3 | -173 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y250 Y251 W259 | Y250-A255 HydrophobicContact CD1-CB 4.11Å; Y250-A255 HydrophobicContact CE1-CB 3.75Å; Y250-A255 WeakPolarHBondContact O-CB 3.43Å; Y250-A255 PolarHBondContact O-N 3.36Å; Y251-A255 HydrophobicContact CD1-CB 3.63Å; Y251-A255 HydrophobicContact CE1-CB 4.2Å; Y251-A255 HydrophobicContact CG-CB 4.4Å; A255-W259 HydrophobicContact CB-CG 4.25Å |
| 256 | K | 89.3 | Confident | 94.1 | Very high | 184 Ų | 184 | 68.8 Ų | 68.8 | 80% | 0.8 | 35% | 0.349 | S | S | * | . | trans | -50.6 | 135.8 | 173.4 | -62.8 | 179.5 | -178.4 | 177.6 | 0 | 110.6 | V254 G258 W259 | V254-K256 PolarHBondContact O-N 3.39Å; K256-G258 PolarHBondContact O-N 2.84Å; K256-W259 PolarHBondContact O-N 3.05Å; K256-W259 VanDerWaalsContact O-N 3.07Å | ||
| 257 | P | 90.5 | Very high | 94.2 | Very high | 117 Ų | 117 | 64.6 Ų | 64.6 | 76% | 0.76 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -15.7 | -173.9 | -30.9 | 35.9 | 0 | 0 | 0 | 117 | W259 | P257-W259 PolarHBondContact O-N 2.95Š|
| 258 | G | 93.9 | Very high | 94.4 | Very high | 48 Ų | 48 | 65.2 Ų | 65.2 | 50% | 0.495 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K256 K260 N261 S262 | K256-G258 PolarHBondContact O-N 2.84Å; G258-K260 PolarHBondContact O-N 3.27Å; G258-N261 WeakPolarHBondContact O-CA 3.47Å; G258-N261 WeakPolarHBondContact O-CB 3.39Å; G258-N261 PolarHBondContact O-N 2.77Å; G258-S262 PolarHBondContact O-N 3.25Å |
| 259 | W | 95.9 | Very high | 94.5 | Very high | 12 Ų | 12 | 69 Ų | 69 | 5% | 0.045 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.9 | -33.9 | 179.6 | 75.8 | -105.1 | 0 | 0 | 0 | 112.9 | Y219 Y241 I244 E245 Y251 A255 K256 P257 N261 S262 I263 | Y219-W259 HydrophobicContact CE1-CB 4.46Å; Y241-W259 HydrophobicContact CD1-CH2 4.36Å; Y241-W259 HydrophobicContact CD1-CZ3 4.12Å; I244-W259 HydrophobicContact CB-CH2 4.33Å; I244-W259 HydrophobicContact CB-CZ3 4.31Å; I244-W259 HydrophobicContact CG2-CH2 4.12Å; I244-W259 HydrophobicContact CG2-CZ3 3.96Å; E245-W259 HydrophobicContact CG-CH2 3.89Å; E245-W259 HydrophobicContact CG-CZ2 3.65Å; E245-W259 WeakPolarHBondContact OE1-CZ2 3.41Å; Y251-W259 HydrophobicContact CD1-CB 4.03Å; Y251-W259 AromaticContact CD1-CD2 3.76Å; Y251-W259 HydrophobicContact CD1-CD2 3.76Å; Y251-W259 HydrophobicContact CD1-CE3 4.15Å; Y251-W259 AromaticContact CD1-CG 3.73Å; Y251-W259 HydrophobicContact CD1-CG 3.73Å; Y251-W259 HydrophobicContact CE1-CB 4.15Å; Y251-W259 HydrophobicContact CE1-CG 4.34Å; Y251-W259 HydrophobicContact CG-CD2 4.41Å; Y251-W259 WeakPolarHBondContact O-CZ2 3.24Å; Y251-W259 PolarHBondContact O-NE1 3.26Å; A255-W259 HydrophobicContact CB-CG 4.25Å; K256-W259 PolarHBondContact O-N 3.05Å; K256-W259 VanDerWaalsContact O-N 3.07Å; P257-W259 PolarHBondContact O-N 2.95Å; W259-N261 PolarHBondContact O-N 3.05Å; W259-S262 WeakPolarHBondContact O-CA 3.49Å; W259-S262 VanDerWaalsContact O-CB 3.31Å; W259-S262 WeakPolarHBondContact O-CB 3.34Å; W259-S262 PolarHBondContact O-N 2.83Å; W259-I263 HydrophobicContact CE3-CG1 3.78Å; W259-I263 HydrophobicContact CZ3-CG1 3.86Å; W259-I263 PolarHBondContact O-N 2.99Å |
| 260 | K | 96.9 | Very high | 94.7 | Very high | 65 Ų | 65 | 70.1 Ų | 70.1 | 28% | 0.283 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.2 | -21.8 | 174.9 | -64.2 | -176.4 | -178.1 | 176 | 0 | 112.6 | Y241 E245 G258 R264 | Y241-K260 HydrophobicContact CD1-CB 4.2Å; Y241-K260 HydrophobicContact CD1-CD 4.29Å; Y241-K260 HydrophobicContact CD1-CG 3.9Å; Y241-K260 HydrophobicContact CD2-CD 4.37Å; Y241-K260 HydrophobicContact CE1-CB 3.71Å; Y241-K260 HydrophobicContact CE1-CD 4.48Å; Y241-K260 HydrophobicContact CE1-CG 3.96Å; Y241-K260 HydrophobicContact CG-CD 4.24Å; Y241-K260 HydrophobicContact CG-CG 4.35Å; Y241-K260 PolarHBondContact OH-O 3.49Å; E245-K260 WeakPolarHBondContact OE1-CE 3.47Å; E245-K260 IonicContact OE1-NZ 3.95Å; E245-K260 PolarHBondContact OE1-NZ 3.5Å; G258-K260 PolarHBondContact O-N 3.27Å; K260-R264 WeakPolarHBondContact O-CG 3.42Å; K260-R264 PolarHBondContact O-N 3.19Å; K260-R264 PolarHBondContact O-NH1 2.71Å |
| 261 | N | 97.1 | Very high | 94.8 | Very high | 93 Ų | 93 | 73.2 Ų | 73.2 | 50% | 0.497 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -75.9 | -41.9 | 169.3 | -160 | 47.7 | 0 | 0 | 0 | 111.5 | G258 W259 I263 R264 H265 | G258-N261 WeakPolarHBondContact O-CA 3.47Å; G258-N261 WeakPolarHBondContact O-CB 3.39Å; G258-N261 PolarHBondContact O-N 2.77Å; W259-N261 PolarHBondContact O-N 3.05Å; N261-I263 VanDerWaalsContact C-N 3.29Å; N261-I263 PolarHBondContact O-N 3.47Å; N261-R264 PolarHBondContact O-N 3.03Å; N261-R264 VanDerWaalsContact O-N 3.16Å; N261-R264 PolarHBondContact OD1-NH2 3.27Å; N261-H265 WeakPolarHBondContact O-CB 3.31Å; N261-H265 PolarHBondContact O-N 2.73Å |
| 262 | S | 97.4 | Very high | 94.8 | Very high | 38 Ų | 38 | 74.4 Ų | 74.4 | 27% | 0.266 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -56.6 | -42 | 174.1 | -49.9 | 0 | 0 | 0 | 0 | 111.8 | Y219 G258 W259 H265 N266 | Y219-S262 VanDerWaalsContact CE2-CB 3.43Å; G258-S262 PolarHBondContact O-N 3.25Å; W259-S262 WeakPolarHBondContact O-CA 3.49Å; W259-S262 VanDerWaalsContact O-CB 3.31Å; W259-S262 WeakPolarHBondContact O-CB 3.34Å; W259-S262 PolarHBondContact O-N 2.83Å; S262-H265 PolarHBondContact O-N 2.7Å; S262-N266 PolarHBondContact O-N 3.11Å; S262-N266 PolarHBondContact O-ND2 2.85Å |
| 263 | I | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.5 | -49.9 | 173.6 | -65 | -65.1 | 0 | 0 | 0 | 112.1 | Y219 I223 L237 I240 Y241 I244 W259 N261 H265 N266 L267 | Y219-I263 HydrophobicContact CD1-CD1 3.58Å; Y219-I263 HydrophobicContact CD1-CG1 4.32Å; Y219-I263 HydrophobicContact CE1-CD1 4.35Å; Y219-I263 HydrophobicContact CG-CD1 4.24Å; I223-I263 HydrophobicContact CD1-CD1 4.03Å; I223-I263 HydrophobicContact CD1-CG2 4.3Å; I223-I263 HydrophobicContact CG1-CD1 3.96Å; I223-I263 HydrophobicContact CG1-CG2 4.43Å; L237-I263 HydrophobicContact CD1-CG2 4.16Å; I240-I263 HydrophobicContact CG2-CG2 4.03Å; Y241-I263 HydrophobicContact CD1-CG2 4.26Å; Y241-I263 HydrophobicContact CE1-CB 4.1Å; Y241-I263 HydrophobicContact CE1-CG2 3.94Å; I244-I263 HydrophobicContact CD1-CD1 3.49Å; I244-I263 VanDerWaalsContact CD1-CD1 3.49Å; I244-I263 HydrophobicContact CD1-CG1 4.34Å; W259-I263 HydrophobicContact CE3-CG1 3.78Å; W259-I263 HydrophobicContact CZ3-CG1 3.86Å; W259-I263 PolarHBondContact O-N 2.99Å; N261-I263 VanDerWaalsContact C-N 3.29Å; N261-I263 PolarHBondContact O-N 3.47Å; I263-H265 VanDerWaalsContact C-N 3.28Å; I263-H265 PolarHBondContact O-N 2.7Å; I263-N266 PolarHBondContact O-N 3.18Å; I263-L267 HydrophobicContact CG2-CD1 3.86Å; I263-L267 HydrophobicContact CG2-CG 4.49Å; I263-L267 WeakPolarHBondContact O-CB 3.49Å; I263-L267 WeakPolarHBondContact O-CG 3.5Å; I263-L267 PolarHBondContact O-N 3.36Å |
| 264 | R | 97.9 | Very high | 95.5 | Very high | 101 Ų | 101 | 65.5 Ų | 65.5 | 38% | 0.381 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 178 | -68.7 | -175 | -58.7 | -95.4 | 11.3 | 112.5 | L237 Y241 K260 N261 S268 | L237-R264 HydrophobicContact CD1-CG 4.05Å; L237-R264 HydrophobicContact CD2-CG 3.93Å; Y241-R264 WeakPolarHBondContact OH-CG 3.29Å; Y241-R264 PolarHBondContact OH-NH1 3.16Å; K260-R264 WeakPolarHBondContact O-CG 3.42Å; K260-R264 PolarHBondContact O-N 3.19Å; K260-R264 PolarHBondContact O-NH1 2.71Å; N261-R264 PolarHBondContact O-N 3.03Å; N261-R264 VanDerWaalsContact O-N 3.16Å; N261-R264 PolarHBondContact OD1-NH2 3.27Å; R264-S268 PolarHBondContact O-N 3.42Å; R264-S268 PolarHBondContact O-OG 3.12Å |
| 265 | H | 97.7 | Very high | 95.8 | Very high | 107 Ų | 107 | 69.5 Ų | 69.5 | 50% | 0.495 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.5 | -50.4 | 175.6 | 172.6 | 53.5 | 0 | 0 | 0 | 111.1 | N261 S262 I263 L267 S268 L269 | N261-H265 WeakPolarHBondContact O-CB 3.31Å; N261-H265 PolarHBondContact O-N 2.73Å; S262-H265 PolarHBondContact O-N 2.7Å; I263-H265 VanDerWaalsContact C-N 3.28Å; I263-H265 PolarHBondContact O-N 2.7Å; H265-L267 PolarHBondContact O-N 3.19Å; H265-S268 CarbonylContact O-C 3.53Å; H265-S268 WeakPolarHBondContact O-CA 3.18Å; H265-S268 PolarHBondContact O-N 2.86Å; H265-L269 WeakPolarHBondContact O-CB 3.38Å; H265-L269 PolarHBondContact O-N 3.21Å |
| 266 | N | 98 | Very high | 95.9 | Very high | 22 Ų | 22 | 73.2 Ų | 73.2 | 12% | 0.118 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 178.8 | -80.3 | -108.6 | 0 | 0 | 0 | 112 | T220 I223 S262 I263 S268 L269 H270 | T220-N266 PolarHBondContact OG1-OD1 2.62Å; I223-N266 HydrophobicContact CD1-CB 3.86Å; S262-N266 PolarHBondContact O-N 3.11Å; S262-N266 PolarHBondContact O-ND2 2.85Å; I263-N266 PolarHBondContact O-N 3.18Å; N266-S268 PolarHBondContact O-N 3.48Å; N266-L269 PolarHBondContact O-N 3.21Å; N266-H270 PolarHBondContact O-N 2.81Å; N266-H270 VanDerWaalsContact O-N 3.09Å |
| 267 | L | 97.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 70.3 Ų | 70.3 | 2% | 0.016 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.8 | -23 | 173.1 | -73.3 | 168.8 | 0 | 0 | 0 | 114 | I223 L237 I240 I263 H265 F273 W286 | I223-L267 HydrophobicContact CD1-CD2 4.27Å; I223-L267 HydrophobicContact CD1-CG 4.04Å; I223-L267 HydrophobicContact CG2-CD2 3.63Å; L237-L267 HydrophobicContact CD1-CD1 3.6Å; I240-L267 HydrophobicContact CD1-CD1 4.16Å; I240-L267 HydrophobicContact CD1-CD2 4.25Å; I263-L267 HydrophobicContact CG2-CD1 3.86Å; I263-L267 HydrophobicContact CG2-CG 4.49Å; I263-L267 WeakPolarHBondContact O-CB 3.49Å; I263-L267 WeakPolarHBondContact O-CG 3.5Å; I263-L267 PolarHBondContact O-N 3.36Å; H265-L267 PolarHBondContact O-N 3.19Å; L267-F273 HydrophobicContact CD2-CB 4.05Å; L267-F273 HydrophobicContact CD2-CD1 4.39Å; L267-F273 HydrophobicContact CD2-CD2 4.18Å; L267-F273 HydrophobicContact CD2-CG 3.96Å; L267-W286 HydrophobicContact CB-CD2 4.32Å; L267-W286 HydrophobicContact CB-CE3 4.26Å; L267-W286 HydrophobicContact CB-CH2 3.9Å; L267-W286 HydrophobicContact CB-CZ2 3.98Å; L267-W286 HydrophobicContact CB-CZ3 4.04Å; L267-W286 HydrophobicContact CD1-CD2 4.29Å; L267-W286 HydrophobicContact CD1-CG 4.37Å; L267-W286 HydrophobicContact CD1-CZ2 4.42Å; L267-W286 HydrophobicContact CD2-CB 4.2Å; L267-W286 HydrophobicContact CD2-CD2 3.83Å; L267-W286 HydrophobicContact CD2-CE3 3.99Å; L267-W286 HydrophobicContact CD2-CG 3.93Å; L267-W286 HydrophobicContact CG-CD2 4.39Å; L267-W286 WeakPolarHBondContact O-CH2 3.38Å; L267-W286 WeakPolarHBondContact O-CZ3 3.09Å |
| 268 | S | 97.1 | Very high | 96 | Very high | 96 Ų | 96 | 65.9 Ų | 65.9 | 67% | 0.671 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -104.9 | -12.4 | 179.7 | -47.2 | 0 | 0 | 0 | 0 | 113.4 | R264 H265 N266 | R264-S268 PolarHBondContact O-N 3.42Å; R264-S268 PolarHBondContact O-OG 3.12Å; H265-S268 CarbonylContact O-C 3.53Å; H265-S268 WeakPolarHBondContact O-CA 3.18Å; H265-S268 PolarHBondContact O-N 2.86Å; N266-S268 PolarHBondContact O-N 3.48Å |
| 269 | L | 97 | Very high | 95.6 | Very high | 97 Ų | 97 | 70.2 Ų | 70.2 | 51% | 0.508 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -93.3 | -38.5 | -178.3 | 178.2 | 69.7 | 0 | 0 | 0 | 111.6 | H265 N266 | H265-L269 WeakPolarHBondContact O-CB 3.38Å; H265-L269 PolarHBondContact O-N 3.21Å; N266-L269 PolarHBondContact O-N 3.21Å |
| 270 | H | 96.6 | Very high | 95 | Very high | 65 Ų | 65 | 74.1 Ų | 74.1 | 30% | 0.301 | 37% | 0.373 | S | S | . | . | trans | -99.5 | 109.3 | -176.1 | -63.4 | -58.2 | 0 | 0 | 0 | 111.3 | T220 N266 M272 F273 | T220-H270 PolarHBondContact OG1-CD2 3.01Å; T220-H270 PolarHBondContact OG1-NE2 2.97Å; N266-H270 PolarHBondContact O-N 2.81Å; N266-H270 VanDerWaalsContact O-N 3.09Å; H270-M272 HydrophobicContact CB-CG 3.96Å; H270-M272 HydrophobicContact CB-SD 4.14Å; H270-M272 PolarHBondContact O-N 3.39Å; H270-F273 HydrophobicContact CB-CD2 3.93Å; H270-F273 HydrophobicContact CB-CE2 4.1Å; H270-F273 PolarHBondContact O-N 3.28Å | ||
| 271 | D | 95.5 | Very high | 94.5 | Very high | 117 Ų | 117 | 73 Ų | 73 | 63% | 0.626 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | -23.3 | 176.7 | -109.9 | 37.5 | 0 | 0 | 0 | 115.1 | F273 R289 | D271-F273 PolarHBondContact O-N 2.9Å; D271-R289 VanDerWaalsContact O-CZ 3.25Å; D271-R289 PolarHBondContact O-NE 3.07Å; D271-R289 PolarHBondContact O-NH2 3.25Å; D271-R289 IonicContact OD2-CZ 3.11Å; D271-R289 IonicContact OD2-NH2 4Å; D271-R289 PolarHBondContact OD2-NH2 2.8Å |
| 272 | M | 95.5 | Very high | 94.1 | Very high | 28 Ų | 28 | 75.5 Ų | 75.5 | 14% | 0.138 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -24.8 | 174.8 | 74.1 | -164.3 | -63.3 | 0 | 0 | 113.8 | T220 Q224 H270 I288 R289 I292 | T220-M272 HydrophobicContact CG2-CE 4.46Å; T220-M272 HydrophobicContact CG2-SD 3.68Å; Q224-M272 HydrophobicContact CG-CE 4.04Å; Q224-M272 VanDerWaalsContact NE2-CE 3.35Å; H270-M272 HydrophobicContact CB-CG 3.96Å; H270-M272 HydrophobicContact CB-SD 4.14Å; H270-M272 PolarHBondContact O-N 3.39Å; M272-I288 HydrophobicContact CE-CG2 4.48Å; M272-I288 CarbonylContact O-C 3.47Å; M272-I288 VanDerWaalsContact O-CA 3.31Å; M272-I288 WeakPolarHBondContact O-CA 3.47Å; M272-R289 PolarHBondContact O-N 3.41Å; M272-I292 HydrophobicContact CB-CB 4.5Å; M272-I292 HydrophobicContact CB-CD1 4.08Å; M272-I292 HydrophobicContact CB-CG2 4.13Å; M272-I292 HydrophobicContact CE-CG2 4.12Å |
| 273 | F | 96.8 | Very high | 93.8 | Very high | 10 Ų | 10 | 77.4 Ų | 77.4 | 4% | 0.044 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 107.1 | 178.9 | -59.3 | -55 | 0 | 0 | 0 | 110.5 | T220 I223 Q224 I227 L267 H270 D271 W286 T287 I288 | T220-F273 HydrophobicContact CG2-CE2 3.92Å; T220-F273 HydrophobicContact CG2-CZ 3.84Å; I223-F273 HydrophobicContact CB-CE1 4.14Å; I223-F273 HydrophobicContact CB-CE2 4.43Å; I223-F273 HydrophobicContact CB-CZ 3.81Å; I223-F273 HydrophobicContact CD1-CE2 4.35Å; I223-F273 HydrophobicContact CG2-CD1 3.89Å; I223-F273 HydrophobicContact CG2-CE1 3.39Å; I223-F273 HydrophobicContact CG2-CE2 4.1Å; I223-F273 HydrophobicContact CG2-CG 4.45Å; I223-F273 HydrophobicContact CG2-CZ 3.51Å; Q224-F273 HydrophobicContact CG-CE1 4.01Å; Q224-F273 HydrophobicContact CG-CZ 4.11Å; I227-F273 HydrophobicContact CD1-CD1 4.07Å; I227-F273 HydrophobicContact CD1-CE1 4.3Å; L267-F273 HydrophobicContact CD2-CB 4.05Å; L267-F273 HydrophobicContact CD2-CD1 4.39Å; L267-F273 HydrophobicContact CD2-CD2 4.18Å; L267-F273 HydrophobicContact CD2-CG 3.96Å; H270-F273 HydrophobicContact CB-CD2 3.93Å; H270-F273 HydrophobicContact CB-CE2 4.1Å; H270-F273 PolarHBondContact O-N 3.28Å; D271-F273 PolarHBondContact O-N 2.9Å; F273-W286 HydrophobicContact CB-CE3 4.14Å; F273-W286 HydrophobicContact CB-CZ3 4.43Å; F273-T287 CarbonylContact C-O 3.54Å; F273-T287 WeakPolarHBondContact CA-O 2.99Å; F273-I288 HydrophobicContact CD1-CG1 4.22Å; F273-I288 HydrophobicContact CE1-CG1 4.17Å |
| 274 | I | 96.3 | Very high | 93.6 | Very high | 76 Ų | 76 | 78.7 Ų | 78.7 | 39% | 0.39 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 134.7 | 177.3 | -68.3 | -173.6 | 0 | 0 | 0 | 109.7 | W286 T287 R289 | I274-W286 CarbonylContact O-C 3.58Å; I274-W286 WeakPolarHBondContact O-CA 3.18Å; I274-T287 PolarHBondContact N-O 3.12Å; I274-T287 PolarHBondContact O-N 2.93Å; I274-T287 PolarHBondContact O-OG1 3.13Å; I274-R289 HydrophobicContact CD1-CG 3.63Å; I274-R289 HydrophobicContact CG1-CG 3.91Å |
| 275 | R | 96.1 | Very high | 93.5 | Very high | 165 Ų | 165 | 75.6 Ų | 75.6 | 62% | 0.623 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 97.1 | 171.8 | -170.5 | -164.4 | 64.1 | 136 | 0.7 | 110.6 | F285 W286 | R275-F285 CarbonylContact C-O 3.5Å; R275-W286 HydrophobicContact CB-CD2 4.1Å; R275-W286 HydrophobicContact CB-CE3 3.76Å; R275-W286 HydrophobicContact CB-CH2 3.85Å; R275-W286 HydrophobicContact CB-CZ2 4.15Å; R275-W286 HydrophobicContact CB-CZ3 3.64Å; R275-W286 HydrophobicContact CG-CD2 4.29Å; R275-W286 HydrophobicContact CG-CE3 4.44Å; R275-W286 HydrophobicContact CG-CH2 4.35Å; R275-W286 HydrophobicContact CG-CZ2 4.15Å; R275-W286 HydrophobicContact CG-CZ3 4.48Å |
| 276 | E | 94.1 | Very high | 93.5 | Very high | 93 Ų | 93 | 72.3 Ų | 72.3 | 44% | 0.435 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 168.7 | 179.8 | -152.8 | 174.6 | 143.1 | 0 | 0 | 112.2 | S284 F285 T287 | E276-S284 WeakPolarHBondContact O-CA 3.41Å; E276-S284 WeakPolarHBondContact O-CB 3.48Å; E276-S284 PolarHBondContact O-OG 2.99Å; E276-F285 HydrophobicContact CB-CD1 4.4Å; E276-F285 HydrophobicContact CB-CD2 4.1Å; E276-F285 HydrophobicContact CB-CE1 4Å; E276-F285 HydrophobicContact CB-CE2 3.7Å; E276-F285 HydrophobicContact CB-CG 4.45Å; E276-F285 HydrophobicContact CB-CZ 3.64Å; E276-F285 HydrophobicContact CG-CE1 4.21Å; E276-F285 HydrophobicContact CG-CE2 4.09Å; E276-F285 HydrophobicContact CG-CZ 3.68Å; E276-F285 PolarHBondContact N-O 3.38Å; E276-F285 PolarHBondContact O-N 2.89Å; E276-F285 WeakPolarHBondContact OE1-CZ 3.34Å; E276-F285 WeakPolarHBondContact OE2-CE2 3.49Å; E276-T287 WeakPolarHBondContact OE2-CG2 3.38Å |
| 277 | R | 92.5 | Very high | 93.4 | Very high | 124 Ų | 124 | 72.1 Ų | 72.1 | 47% | 0.468 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132.6 | 174.6 | -163 | 69.6 | -177.7 | 158.3 | 1.4 | 109.2 | G281 K282 T283 S284 | R277-G281 PolarHBondContact NE-O 2.9Å; R277-G281 PolarHBondContact NH2-O 2.93Å; R277-K282 PolarHBondContact NH2-O 3Å; R277-T283 WeakPolarHBondContact CD-O 3.48Å; R277-T283 PolarHBondContact NH1-O 3.43Å; R277-S284 WeakPolarHBondContact CD-OG 3.48Å; R277-S284 PolarHBondContact NH1-OG 2.69Å |
| 278 | S | 88.3 | Confident | 93.4 | Very high | 24 Ų | 24 | 72.3 Ų | 72.3 | 17% | 0.168 | 38% | 0.378 | C | S | . | . | trans | -55.2 | 142.6 | 170.6 | 174.4 | 0 | 0 | 0 | 0 | 110.1 | D280 G281 T283 | S278-D280 PolarHBondContact O-N 3.38Å; S278-D280 VanDerWaalsContact O-N 3.16Å; S278-D280 PolarHBondContact OG-N 3.07Å; S278-G281 WeakPolarHBondContact O-CA 3.39Å; S278-G281 PolarHBondContact O-N 2.9Å; S278-T283 WeakPolarHBondContact CB-O 3.44Å; S278-T283 WeakPolarHBondContact CB-OG1 3.36Å; S278-T283 PolarHBondContact N-O 3.48Å | ||
| 279 | P | 85 | Confident | 93.2 | Very high | 139 Ų | 139 | 71.5 Ų | 71.5 | 90% | 0.903 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -25 | 175.4 | 24.2 | -34.8 | 0 | 0 | 0 | 112.6 | G281 | P279-G281 PolarHBondContact O-N 2.85Š|
| 280 | D | 84.8 | Confident | 92.9 | Very high | 94 Ų | 94 | 72.1 Ų | 72.1 | 50% | 0.503 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -6.6 | 171.4 | -176.6 | 43.6 | 0 | 0 | 0 | 113.4 | S278 K282 | S278-D280 PolarHBondContact O-N 3.38Å; S278-D280 VanDerWaalsContact O-N 3.16Å; S278-D280 PolarHBondContact OG-N 3.07Å; D280-K282 PolarHBondContact O-N 3.2Å; D280-K282 IonicContact OD1-NZ 3.8Å; D280-K282 PolarHBondContact OD1-NZ 2.92Å; D280-K282 WeakPolarHBondContact OD2-CD 3.45Å; D280-K282 VanDerWaalsContact OD2-CG 3.25Å; D280-K282 WeakPolarHBondContact OD2-CG 3.5Å; D280-K282 IonicContact OD2-NZ 2.8Å; D280-K282 PolarHBondContact OD2-NZ 3.47Å |
| 281 | G | 86.1 | Confident | 92.5 | Very high | 40 Ų | 40 | 76 Ų | 76 | 41% | 0.412 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 68.4 | -4.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | R277 S278 P279 | R277-G281 PolarHBondContact NE-O 2.9Å; R277-G281 PolarHBondContact NH2-O 2.93Å; S278-G281 WeakPolarHBondContact O-CA 3.39Å; S278-G281 PolarHBondContact O-N 2.9Å; P279-G281 PolarHBondContact O-N 2.85Å |
| 282 | K | 88.7 | Confident | 92.1 | Very high | 147 Ų | 147 | 74 Ų | 74 | 64% | 0.639 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -84.6 | -44.2 | -175.8 | -62.1 | -168.9 | -167.9 | 76.8 | 0 | 114.3 | R277 D280 | R277-K282 PolarHBondContact NH2-O 3Å; D280-K282 PolarHBondContact O-N 3.2Å; D280-K282 IonicContact OD1-NZ 3.8Å; D280-K282 PolarHBondContact OD1-NZ 2.92Å; D280-K282 WeakPolarHBondContact OD2-CD 3.45Å; D280-K282 VanDerWaalsContact OD2-CG 3.25Å; D280-K282 WeakPolarHBondContact OD2-CG 3.5Å; D280-K282 IonicContact OD2-NZ 2.8Å; D280-K282 PolarHBondContact OD2-NZ 3.47Å |
| 283 | T | 90.8 | Very high | 91.7 | Very high | 78 Ų | 78 | 73.9 Ų | 73.9 | 48% | 0.479 | 38% | 0.382 | S | S | . | . | trans | -112.1 | 158.8 | -176.5 | 51.2 | 0 | 0 | 0 | 0 | 112.6 | R277 S278 | R277-T283 WeakPolarHBondContact CD-O 3.48Å; R277-T283 PolarHBondContact NH1-O 3.43Å; S278-T283 WeakPolarHBondContact CB-O 3.44Å; S278-T283 WeakPolarHBondContact CB-OG1 3.36Å; S278-T283 PolarHBondContact N-O 3.48Å | ||
| 284 | S | 94.4 | Very high | 91.2 | Very high | 26 Ų | 26 | 83.5 Ų | 83.5 | 18% | 0.182 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 140.9 | 168.5 | -86.4 | 0 | 0 | 0 | 0 | 109.2 | E276 R277 | E276-S284 WeakPolarHBondContact O-CA 3.41Å; E276-S284 WeakPolarHBondContact O-CB 3.48Å; E276-S284 PolarHBondContact O-OG 2.99Å; R277-S284 WeakPolarHBondContact CD-OG 3.48Å; R277-S284 PolarHBondContact NH1-OG 2.69Å |
| 285 | F | 95.9 | Very high | 90.5 | Very high | 37 Ų | 37 | 82.2 Ų | 82.2 | 16% | 0.162 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 156.9 | 179.5 | 55.9 | -80.3 | 0 | 0 | 0 | 109.3 | R275 E276 T287 | R275-F285 CarbonylContact C-O 3.5Å; E276-F285 HydrophobicContact CB-CD1 4.4Å; E276-F285 HydrophobicContact CB-CD2 4.1Å; E276-F285 HydrophobicContact CB-CE1 4Å; E276-F285 HydrophobicContact CB-CE2 3.7Å; E276-F285 HydrophobicContact CB-CG 4.45Å; E276-F285 HydrophobicContact CB-CZ 3.64Å; E276-F285 HydrophobicContact CG-CE1 4.21Å; E276-F285 HydrophobicContact CG-CE2 4.09Å; E276-F285 HydrophobicContact CG-CZ 3.68Å; E276-F285 PolarHBondContact N-O 3.38Å; E276-F285 PolarHBondContact O-N 2.89Å; E276-F285 WeakPolarHBondContact OE1-CZ 3.34Å; E276-F285 WeakPolarHBondContact OE2-CE2 3.49Å; F285-T287 HydrophobicContact CD2-CG2 3.49Å; F285-T287 VanDerWaalsContact CD2-CG2 3.49Å; F285-T287 HydrophobicContact CE2-CG2 3.41Å; F285-T287 VanDerWaalsContact CE2-CG2 3.41Å |
| 286 | W | 96.9 | Very high | 90 | Very high | 37 Ų | 37 | 76.9 Ų | 76.9 | 14% | 0.14 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 130.1 | 173.7 | -65.7 | 97.5 | 0 | 0 | 0 | 108.9 | I227 G234 M235 I240 L267 F273 I274 R275 | I227-W286 HydrophobicContact CD1-CB 4.1Å; G234-W286 WeakPolarHBondContact CA-O 3.46Å; M235-W286 PolarHBondContact N-O 3.48Å; M235-W286 PolarHBondContact O-N 3.3Å; I240-W286 HydrophobicContact CD1-CB 4.13Å; I240-W286 HydrophobicContact CD1-CG 4.34Å; L267-W286 HydrophobicContact CB-CD2 4.32Å; L267-W286 HydrophobicContact CB-CE3 4.26Å; L267-W286 HydrophobicContact CB-CH2 3.9Å; L267-W286 HydrophobicContact CB-CZ2 3.98Å; L267-W286 HydrophobicContact CB-CZ3 4.04Å; L267-W286 HydrophobicContact CD1-CD2 4.29Å; L267-W286 HydrophobicContact CD1-CG 4.37Å; L267-W286 HydrophobicContact CD1-CZ2 4.42Å; L267-W286 HydrophobicContact CD2-CB 4.2Å; L267-W286 HydrophobicContact CD2-CD2 3.83Å; L267-W286 HydrophobicContact CD2-CE3 3.99Å; L267-W286 HydrophobicContact CD2-CG 3.93Å; L267-W286 HydrophobicContact CG-CD2 4.39Å; L267-W286 WeakPolarHBondContact O-CH2 3.38Å; L267-W286 WeakPolarHBondContact O-CZ3 3.09Å; F273-W286 HydrophobicContact CB-CE3 4.14Å; F273-W286 HydrophobicContact CB-CZ3 4.43Å; I274-W286 CarbonylContact O-C 3.58Å; I274-W286 WeakPolarHBondContact O-CA 3.18Å; R275-W286 HydrophobicContact CB-CD2 4.1Å; R275-W286 HydrophobicContact CB-CE3 3.76Å; R275-W286 HydrophobicContact CB-CH2 3.85Å; R275-W286 HydrophobicContact CB-CZ2 4.15Å; R275-W286 HydrophobicContact CB-CZ3 3.64Å; R275-W286 HydrophobicContact CG-CD2 4.29Å; R275-W286 HydrophobicContact CG-CE3 4.44Å; R275-W286 HydrophobicContact CG-CH2 4.35Å; R275-W286 HydrophobicContact CG-CZ2 4.15Å; R275-W286 HydrophobicContact CG-CZ3 4.48Å |
| 287 | T | 96.3 | Very high | 89.7 | Confident | 18 Ų | 18 | 73.6 Ų | 73.6 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 164 | 174.4 | 55.3 | 0 | 0 | 0 | 0 | 109.6 | F273 I274 E276 F285 | F273-T287 CarbonylContact C-O 3.54Å; F273-T287 WeakPolarHBondContact CA-O 2.99Å; I274-T287 PolarHBondContact N-O 3.12Å; I274-T287 PolarHBondContact O-N 2.93Å; I274-T287 PolarHBondContact O-OG1 3.13Å; E276-T287 WeakPolarHBondContact OE2-CG2 3.38Å; F285-T287 HydrophobicContact CD2-CG2 3.49Å; F285-T287 VanDerWaalsContact CD2-CG2 3.49Å; F285-T287 HydrophobicContact CE2-CG2 3.41Å; F285-T287 VanDerWaalsContact CE2-CG2 3.41Å |
| 288 | I | 96 | Very high | 89.5 | Confident | 8 Ų | 8 | 68.9 Ų | 68.9 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 136.8 | 168.2 | -52.9 | 163.1 | 0 | 0 | 0 | 107.3 | Q224 I227 M272 F273 N293 | Q224-I288 HydrophobicContact CB-CD1 4.18Å; Q224-I288 HydrophobicContact CG-CD1 4.08Å; I227-I288 HydrophobicContact CB-CD1 4.17Å; I227-I288 HydrophobicContact CB-CG1 4.27Å; I227-I288 HydrophobicContact CD1-CG1 4.13Å; I227-I288 HydrophobicContact CG2-CD1 4.17Å; I227-I288 HydrophobicContact CG2-CG1 4.01Å; M272-I288 HydrophobicContact CE-CG2 4.48Å; M272-I288 CarbonylContact O-C 3.47Å; M272-I288 VanDerWaalsContact O-CA 3.31Å; M272-I288 WeakPolarHBondContact O-CA 3.47Å; F273-I288 HydrophobicContact CD1-CG1 4.22Å; F273-I288 HydrophobicContact CE1-CG1 4.17Å; I288-N293 HydrophobicContact CB-CB 4.05Å; I288-N293 HydrophobicContact CG2-CB 3.71Å |
| 289 | R | 93.7 | Very high | 89.3 | Confident | 78 Ų | 78 | 73.8 Ų | 73.8 | 29% | 0.294 | 39% | 0.393 | S | S | . | . | trans | -51.2 | 127.7 | 172.9 | -68.5 | -163.6 | -164.3 | -170.4 | 9.7 | 110.3 | D271 M272 I274 D291 I292 N293 | D271-R289 VanDerWaalsContact O-CZ 3.25Å; D271-R289 PolarHBondContact O-NE 3.07Å; D271-R289 PolarHBondContact O-NH2 3.25Å; D271-R289 IonicContact OD2-CZ 3.11Å; D271-R289 IonicContact OD2-NH2 4Å; D271-R289 PolarHBondContact OD2-NH2 2.8Å; M272-R289 PolarHBondContact O-N 3.41Å; I274-R289 HydrophobicContact CD1-CG 3.63Å; I274-R289 HydrophobicContact CG1-CG 3.91Å; R289-D291 VanDerWaalsContact C-N 3.26Å; R289-D291 PolarHBondContact O-N 2.87Å; R289-I292 HydrophobicContact CB-CB 4.34Å; R289-I292 HydrophobicContact CB-CD1 4.18Å; R289-I292 HydrophobicContact CB-CG1 4.1Å; R289-I292 HydrophobicContact CG-CD1 4.48Å; R289-I292 PolarHBondContact O-N 2.59Å; R289-N293 WeakPolarHBondContact O-CB 3.35Å; R289-N293 PolarHBondContact O-N 3.33Å | ||
| 290 | P | 90.4 | Very high | 89.1 | Confident | 111 Ų | 111 | 72.7 Ų | 72.7 | 72% | 0.721 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -51 | -46.3 | -180 | -29 | 36.1 | 0 | 0 | 0 | 112.6 | I292 N293 | P290-I292 PolarHBondContact O-N 2.79Å; P290-I292 VanDerWaalsContact O-N 3.1Å; P290-N293 PolarHBondContact O-N 3.28Å |
| 291 | D | 88.6 | Confident | 88.7 | Confident | 145 Ų | 145 | 71.1 Ų | 71.1 | 78% | 0.775 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -58.1 | -24.9 | -179 | -21.8 | -50.8 | 0 | 0 | 0 | 114 | R289 | R289-D291 VanDerWaalsContact C-N 3.26Å; R289-D291 PolarHBondContact O-N 2.87Å |
| 292 | I | 87.1 | Confident | 88.1 | Confident | 75 Ų | 75 | 76.1 Ų | 76.1 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -108.5 | -12.7 | -177.5 | -48 | 179.6 | 0 | 0 | 0 | 110.7 | M272 R289 P290 R294 | M272-I292 HydrophobicContact CB-CB 4.5Å; M272-I292 HydrophobicContact CB-CD1 4.08Å; M272-I292 HydrophobicContact CB-CG2 4.13Å; M272-I292 HydrophobicContact CE-CG2 4.12Å; R289-I292 HydrophobicContact CB-CB 4.34Å; R289-I292 HydrophobicContact CB-CD1 4.18Å; R289-I292 HydrophobicContact CB-CG1 4.1Å; R289-I292 HydrophobicContact CG-CD1 4.48Å; R289-I292 PolarHBondContact O-N 2.59Å; P290-I292 PolarHBondContact O-N 2.79Å; P290-I292 VanDerWaalsContact O-N 3.1Å; I292-R294 PolarHBondContact O-N 3.19Å |
| 293 | N | 86.9 | Confident | 86.6 | Confident | 26 Ų | 26 | 79.6 Ų | 79.6 | 14% | 0.139 | 39% | 0.386 | C | S | . | . | trans | -79.8 | 86.4 | -172.5 | -164.9 | 3.8 | 0 | 0 | 0 | 112.4 | N228 I288 R289 P290 C295 | N228-N293 PolarHBondContact ND2-OD1 3.35Å; N228-N293 PolarHBondContact OD1-ND2 3.38Å; N228-N293 PolarHBondContact OD1-OD1 3.11Å; I288-N293 HydrophobicContact CB-CB 4.05Å; I288-N293 HydrophobicContact CG2-CB 3.71Å; R289-N293 WeakPolarHBondContact O-CB 3.35Å; R289-N293 PolarHBondContact O-N 3.33Å; P290-N293 PolarHBondContact O-N 3.28Å; N293-C295 PolarHBondContact O-N 3.2Å; N293-C295 WeakPolarHBondContact OD1-CA 3.4Å; N293-C295 PolarHBondContact OD1-N 3.12Å | ||
| 294 | R | 86.1 | Confident | 84.4 | Confident | 212 Ų | 212 | 80.4 Ų | 80.4 | 80% | 0.8 | 39% | 0.393 | S | S | * | . | trans | -60.6 | 9.4 | 168 | -61 | -178.8 | -177.2 | 167.9 | -0.1 | 114.5 | I292 L296 | I292-R294 PolarHBondContact O-N 3.19Å; R294-L296 HydrophobicContact CB-CD2 4.2Å; R294-L296 HydrophobicContact CB-CG 4.17Å; R294-L296 PolarHBondContact O-N 3.05Å | ||
| 295 | C | 82.9 | Confident | 81.6 | Confident | 50 Ų | 50 | 84 Ų | 84 | 34% | 0.338 | 42% | 0.417 | S | S | . | . | trans | 55.4 | 23.1 | 176.5 | -74.4 | 0 | 0 | 0 | 0 | 115.8 | N293 T297 | N293-C295 PolarHBondContact O-N 3.2Å; N293-C295 WeakPolarHBondContact OD1-CA 3.4Å; N293-C295 PolarHBondContact OD1-N 3.12Å; C295-T297 PolarHBondContact O-N 2.84Å | ||
| 296 | L | 84.1 | Confident | 78.9 | Confident | 52 Ų | 52 | 87.4 Ų | 87.4 | 27% | 0.272 | 44% | 0.444 | S | S | . | . | trans | -50.7 | 117.1 | 179.7 | -56.3 | -179.6 | 0 | 0 | 0 | 111.5 | F225 N228 R294 | F225-L296 HydrophobicContact CD1-CB 4.13Å; F225-L296 HydrophobicContact CE1-CB 4.07Å; N228-L296 WeakPolarHBondContact CB-O 3.18Å; N228-L296 PolarHBondContact ND2-N 2.85Å; N228-L296 PolarHBondContact ND2-O 3.02Å; R294-L296 HydrophobicContact CB-CD2 4.2Å; R294-L296 HydrophobicContact CB-CG 4.17Å; R294-L296 PolarHBondContact O-N 3.05Å | ||
| 297 | T | 89.3 | Confident | 75.9 | Confident | 25 Ų | 25 | 92 Ų | 92 | 15% | 0.153 | 47% | 0.471 | C | S | . | . | trans | -111.5 | 160.6 | 168.6 | 65.9 | 0 | 0 | 0 | 0 | 110.4 | N228 C295 D299 Q300 | N228-T297 HydrophobicContact CB-CG2 4.26Å; C295-T297 PolarHBondContact O-N 2.84Å; T297-D299 VanDerWaalsContact C-N 3.28Å; T297-D299 PolarHBondContact O-N 2.86Å; T297-D299 PolarHBondContact OG1-OD2 2.93Å; T297-Q300 VanDerWaalsContact N-OE1 3.15Å; T297-Q300 PolarHBondContact O-N 3.45Å | ||
| 298 | L | 88 | Confident | 73.4 | Confident | 24 Ų | 24 | 98 Ų | 98 | 13% | 0.126 | 51% | 0.51 | C | S | . | . | G | 310 helix | trans | -61.6 | -39.5 | -179.3 | -172.7 | 62.5 | 0 | 0 | 0 | 111.6 | Y217 F225 W243 H247 F248 Q300 V301 Y302 | Y217-L298 HydrophobicContact CE2-CD1 4.27Å; F225-L298 HydrophobicContact CD2-CD1 3.9Å; F225-L298 HydrophobicContact CE2-CD1 4.03Å; W243-L298 HydrophobicContact CH2-CB 4.2Å; W243-L298 HydrophobicContact CH2-CD2 4.16Å; W243-L298 HydrophobicContact CZ2-CB 4.35Å; W243-L298 HydrophobicContact CZ2-CD2 4.47Å; H247-L298 HydrophobicContact CB-CD2 3.99Å; F248-L298 HydrophobicContact CE1-CD1 4.16Å; F248-L298 HydrophobicContact CZ-CD1 3.66Å; F248-L298 HydrophobicContact CZ-CD2 4.46Å; L298-Q300 PolarHBondContact O-N 2.9Å; L298-Q300 VanDerWaalsContact O-N 3.14Å; L298-V301 PolarHBondContact O-N 3.45Å; L298-Y302 PolarHBondContact O-N 3.24Å |
| 299 | D | 83.8 | Confident | 71.1 | Confident | 128 Ų | 128 | 100.6 Ų | 100.6 | 68% | 0.684 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -61.3 | -20.4 | -179.1 | -18.3 | -59.4 | 0 | 0 | 0 | 113.8 | T297 | T297-D299 VanDerWaalsContact C-N 3.28Å; T297-D299 PolarHBondContact O-N 2.86Å; T297-D299 PolarHBondContact OG1-OD2 2.93Å |
| 300 | Q | 80.8 | Confident | 68.3 | Low | 115 Ų | 115 | 103.1 Ų | 103.1 | 54% | 0.537 | 56% | 0.564 | S | S | . | * | G | 310 helix | trans | -80.9 | -20.7 | 174.9 | -67.2 | 165.5 | -1.6 | 0 | 0 | 112.7 | T297 L298 | T297-Q300 VanDerWaalsContact N-OE1 3.15Å; T297-Q300 PolarHBondContact O-N 3.45Å; L298-Q300 PolarHBondContact O-N 2.9Å; L298-Q300 VanDerWaalsContact O-N 3.14Å |
| 301 | V | 75.8 | Confident | 66.1 | Low | 61 Ų | 61 | 105 Ų | 105 | 37% | 0.37 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.6 | -36 | -172 | -164.4 | 0 | 0 | 0 | 0 | 111 | Y217 F225 L298 R303 | Y217-V301 HydrophobicContact CE1-CG1 3.56Å; F225-V301 HydrophobicContact CE1-CG2 3.78Å; F225-V301 HydrophobicContact CZ-CB 4.35Å; F225-V301 HydrophobicContact CZ-CG2 3.85Å; L298-V301 PolarHBondContact O-N 3.45Å; V301-R303 PolarHBondContact O-N 3.47Å |
| 302 | Y | 73.7 | Confident | 63.6 | Low | 145 Ų | 145 | 103.4 Ų | 103.4 | 57% | 0.569 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -73.8 | 81.5 | 162.4 | -162.8 | -86.5 | 0 | 0 | 0 | 108.9 | L298 P304 | L298-Y302 PolarHBondContact O-N 3.24Å; Y302-P304 WeakPolarHBondContact O-CD 3.37Å |
| 303 | R | 57.4 | Low | 60.9 | Low | 220 Ų | 220 | 104.2 Ų | 104.2 | 83% | 0.83 | 59% | 0.586 | S | S | * | * | trans | -53.1 | 128 | 166.4 | -68.2 | -173.5 | -175.5 | 177.3 | 3.1 | 107.9 | V301 | V301-R303 PolarHBondContact O-N 3.47Š| ||
| 304 | P | 44 | Very low | 58.8 | Low | 95 Ų | 95 | 108.6 Ų | 108.6 | 62% | 0.617 | 62% | 0.615 | S | S | * | * | trans | -51.7 | 144 | 157.2 | -21.4 | 33.2 | 0 | 0 | 0 | 108.4 | Y302 C306 | Y302-P304 WeakPolarHBondContact O-CD 3.37Å; P304-C306 VanDerWaalsContact C-N 3.3Å; P304-C306 PolarHBondContact O-N 2.86Å | ||
| 305 | C | 35.9 | Very low | 56.3 | Low | 102 Ų | 102 | 105.2 Ų | 105.2 | 69% | 0.689 | 62% | 0.618 | S | S | * | * | trans | -65.7 | 98.4 | 168 | -168.4 | 0 | 0 | 0 | 0 | 107 | D307 | C305-D307 PolarHBondContact O-N 3Å; C305-D307 VanDerWaalsContact O-N 3.11Å | ||
| 306 | C | 38.8 | Very low | 53.8 | Low | 109 Ų | 109 | 108 Ų | 108 | 74% | 0.736 | 64% | 0.638 | S | S | * | * | trans | -70.1 | 106.5 | 173 | -65.3 | 0 | 0 | 0 | 0 | 107.4 | P304 | P304-C306 VanDerWaalsContact C-N 3.3Å; P304-C306 PolarHBondContact O-N 2.86Å | ||
| 307 | D | 35.4 | Very low | 51.9 | Low | 132 Ų | 132 | 113.7 Ų | 113.7 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | trans | -50.5 | 136.8 | 168.2 | -62.5 | -58 | 0 | 0 | 0 | 109.2 | C305 G309 | C305-D307 PolarHBondContact O-N 3Å; C305-D307 VanDerWaalsContact O-N 3.11Å; D307-G309 PolarHBondContact O-N 3.18Å | ||
| 308 | P | 42.8 | Very low | 49.3 | Very low | 144 Ų | 144 | 120.2 Ų | 120.2 | 94% | 0.935 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 63.7 | -177 | 31.6 | -36.2 | 0 | 0 | 0 | 111 | ||
| 309 | G | 47.7 | Very low | 46.7 | Very low | 63 Ų | 63 | 124.5 Ų | 124.5 | 65% | 0.649 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.1 | 1.6 | -163.5 | 0 | 0 | 0 | 0 | 0 | 117 | D307 | D307-G309 PolarHBondContact O-N 3.18Š|
| 310 | T | 35.5 | Very low | 44.2 | Very low | 132 Ų | 132 | 124.5 Ų | 124.5 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | trans | -151.8 | 125.3 | 166.1 | -69.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 311 | V | 44.2 | Very low | 42.1 | Very low | 150 Ų | 150 | 124.2 Ų | 124.2 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | trans | -78.1 | 122.3 | 171.9 | 179.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 312 | S | 35.2 | Very low | 40.1 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -140.3 | 142.1 | 166.3 | -165.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 313 | S | 30.5 | Very low | 38.2 | Very low | 93 Ų | 93 | 131.9 Ų | 131.9 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 145.6 | -168.6 | -175.3 | 0 | 0 | 0 | 0 | 112.7 | V315 | S313-V315 PolarHBondContact O-N 3.18Š|
| 314 | P | 42 | Very low | 36.9 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 132.1 | 161.2 | 27.4 | -34.6 | 0 | 0 | 0 | 109.4 | ||
| 315 | V | 33.6 | Very low | 36.2 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 125.8 | 170.3 | 175.6 | 0 | 0 | 0 | 0 | 108 | S313 | S313-V315 PolarHBondContact O-N 3.18Š|
| 316 | S | 32 | Very low | 36 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 158.6 | -175.1 | -54.1 | 0 | 0 | 0 | 0 | 113.6 | L318 | S316-L318 PolarHBondContact O-N 2.78Š|
| 317 | L | 43.9 | Very low | 35.7 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 124.2 | 174.1 | -61.3 | 166.7 | 0 | 0 | 0 | 112 | ||
| 318 | L | 33.3 | Very low | 35.2 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -120.7 | 113 | 168 | -156.1 | 82.8 | 0 | 0 | 0 | 110.1 | S316 | S316-L318 PolarHBondContact O-N 2.78Š| ||
| 319 | P | 34.5 | Very low | 34.7 | Very low | 114 Ų | 114 | 141 Ų | 141 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 135.9 | 173.7 | -22.5 | 34.2 | 0 | 0 | 0 | 111.5 | P321 | P319-P321 WeakPolarHBondContact O-CD 3.49Š|
| 320 | C | 30.2 | Very low | 33.8 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -79 | 120.1 | 178.8 | -171.9 | 0 | 0 | 0 | 0 | 110.8 | ||
| 321 | P | 38.2 | Very low | 33.4 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 148.5 | -179 | 31.2 | -34.7 | 0 | 0 | 0 | 112.7 | P319 | P319-P321 WeakPolarHBondContact O-CD 3.49Š|
| 322 | H | 33 | Very low | 32.9 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 82% | 0.819 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 138.5 | 173.5 | -125.9 | 35.6 | 0 | 0 | 0 | 111.3 | ||
| 323 | Q | 33.1 | Very low | 32.8 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -107.9 | 115.7 | 166.9 | -74.1 | -164.4 | 1.9 | 0 | 0 | 111.1 | ||||
| 324 | H | 31.8 | Very low | 33 | Very low | 173 Ų | 173 | 150.1 Ų | 150.1 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | trans | -85.5 | 170.6 | 158.6 | -91.9 | -108.1 | 0 | 0 | 0 | 110.6 | ||||
| 325 | E | 29.3 | Very low | 32.5 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 69% | 0.687 | 80% | 0.8 | S | S | * | * | trans | -77.2 | 166.4 | -169.6 | -57.6 | 177.5 | 82.6 | 0 | 0 | 116.5 | ||||
| 326 | K | 31.8 | Very low | 32.9 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | trans | 91.6 | 110 | 143 | -78.6 | 145.2 | -174.6 | 157.2 | 0 | 121.1 | ||||
| 327 | K | 32 | Very low | 33 | Very low | 195 Ų | 195 | 148 Ų | 148 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | 81.4 | 112.2 | 130.4 | -67.5 | -177.3 | 175 | -174.1 | 0 | 121.2 | ||||
| 328 | N | 24.7 | Very low | 32.5 | Very low | 156 Ų | 156 | 145.8 Ų | 145.8 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | -12.1 | 136 | 143.9 | -84.4 | -17.9 | 0 | 0 | 0 | 118.1 | ||||
| 329 | I | 32.5 | Very low | 32.9 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | -162.4 | 159.9 | 99.7 | -96.5 | 160.5 | 0 | 0 | 0 | 109.2 | |||||
| 330 | S | 28.5 | Very low | 33.2 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -95.2 | 158.3 | -176.3 | 53.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 331 | A | 28 | Very low | 34 | Very low | 103 Ų | 103 | 152.1 Ų | 152.1 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -143.6 | 142.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 332 | V | 32.1 | Very low | 34.2 | Very low | 120 Ų | 120 | 158.7 Ų | 158.7 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -142.7 | 115.5 | -168.2 | 163.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 333 | R | 33 | Very low | 34.8 | Very low | 220 Ų | 220 | 159.1 Ų | 159.1 | 83% | 0.83 | 82% | 0.821 | S | S | * | * | trans | 172.5 | 142.1 | 133.2 | -98.5 | 151.5 | -178.9 | -164.8 | -1.6 | 116.3 | ||||
| 334 | K | 36.3 | Very low | 36.3 | Very low | 190 Ų | 190 | 158.8 Ų | 158.8 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | 60.9 | 118.2 | 143.3 | -69.1 | 180 | 175.4 | -170.3 | 0 | 120.5 | ||||
| 335 | A | 31.3 | Very low | 37.3 | Very low | 90 Ų | 90 | 156.9 Ų | 156.9 | 74% | 0.744 | 82% | 0.819 | S | S | * | * | trans | -79.2 | 172.3 | 146.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 336 | P | 41.4 | Very low | 38.4 | Very low | 129 Ų | 129 | 157.1 Ų | 157.1 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | -119.2 | 165.3 | 121.4 | 36 | -33.6 | 0 | 0 | 0 | 111.7 | |||||
| 337 | A | 34 | Very low | 39.7 | Very low | 104 Ų | 104 | 157.2 Ų | 157.2 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | trans | -95.4 | 147.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 338 | S | 33.4 | Very low | 40.8 | Very low | 124 Ų | 124 | 153.9 Ų | 153.9 | 87% | 0.867 | 83% | 0.83 | S | S | * | * | trans | -141.3 | 151.2 | 154.5 | 60.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 339 | T | 42.3 | Very low | 41.7 | Very low | 131 Ų | 131 | 157 Ų | 157 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -103.3 | 134.5 | -175.8 | 50.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 340 | E | 39.9 | Very low | 42.4 | Very low | 186 Ų | 186 | 154.5 Ų | 154.5 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | trans | -161.5 | -176.9 | 141.8 | -120.3 | 166.8 | -161.5 | 0 | 0 | 115.2 | ||||
| 341 | R | 46.6 | Very low | 43 | Very low | 222 Ų | 222 | 156.1 Ų | 156.1 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | trans | -103 | 137.3 | -151.2 | -65.4 | 178.4 | 171.7 | 101.7 | -6.7 | 114.8 | ||||
| 342 | R | 42.7 | Very low | 43.6 | Very low | 245 Ų | 245 | 156.5 Ų | 156.5 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | trans | 14.3 | 110.9 | 142.5 | -69.5 | -87.9 | -170.7 | 109.4 | -1.2 | 117.2 | ||||
| 343 | M | 46.5 | Very low | 44.4 | Very low | 186 Ų | 186 | 161 Ų | 161 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | trans | -134.8 | 158.1 | 142.1 | -71.7 | -152.6 | 81.2 | 0 | 0 | 110.8 | ||||
| 344 | K | 63.8 | Low | 44.9 | Very low | 184 Ų | 184 | 158.6 Ų | 158.6 | 80% | 0.8 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 149 | 179 | -60.1 | 177.6 | -177.4 | 178.4 | 0 | 110 | L346 | K344-L346 PolarHBondContact O-N 3.22Š|
| 345 | P | 53.9 | Low | 45.1 | Very low | 133 Ų | 133 | 155.1 Ų | 155.1 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 133 | 166.5 | 28.2 | -33.8 | 0 | 0 | 0 | 109.6 | ||
| 346 | L | 50.8 | Low | 45.8 | Very low | 153 Ų | 153 | 156.7 Ų | 156.7 | 80% | 0.801 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 141.1 | 175.5 | -66.4 | 173.2 | 0 | 0 | 0 | 109.8 | K344 | K344-L346 PolarHBondContact O-N 3.22Š|
| 347 | L | 60.6 | Low | 45.8 | Very low | 153 Ų | 153 | 157.5 Ų | 157.5 | 80% | 0.801 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 143.2 | 168.9 | -68.4 | 166.3 | 0 | 0 | 0 | 109.8 | R349 | L347-R349 PolarHBondContact O-N 3.08Š|
| 348 | P | 54 | Low | 45.9 | Very low | 124 Ų | 124 | 160.8 Ų | 160.8 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 125.1 | 166.2 | 28.2 | -32.7 | 0 | 0 | 0 | 108.6 | ||
| 349 | R | 43.3 | Very low | 46.6 | Very low | 223 Ų | 223 | 162.3 Ų | 162.3 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 151.2 | 168.9 | -77 | -172.6 | 170 | 88.6 | -2.8 | 109.8 | L347 | L347-R349 PolarHBondContact O-N 3.08Š|
| 350 | T | 48.3 | Very low | 46.8 | Very low | 117 Ų | 117 | 162.1 Ų | 162.1 | 72% | 0.718 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -63 | 159.6 | 162.6 | 50.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 351 | D | 40.5 | Very low | 46.7 | Very low | 141 Ų | 141 | 161 Ų | 161 | 75% | 0.754 | 82% | 0.815 | S | S | * | * | 162.1 | 116.9 | 120.2 | -78.1 | -7.6 | 0 | 0 | 0 | 111.2 | |||||
| 352 | S | 41.8 | Very low | 46.6 | Very low | 111 Ų | 111 | 154.9 Ų | 154.9 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -160.9 | 81.5 | 162.7 | 43.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 353 | Y | 47.4 | Very low | 46.3 | Very low | 214 Ų | 214 | 148.7 Ų | 148.7 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | 51.7 | 112.8 | 145.4 | -55.1 | -75.8 | 0 | 0 | 0 | 121.1 | ||||
| 354 | L | 43.3 | Very low | 45.8 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | -71.8 | 138 | 151.9 | -74.3 | 166.7 | 0 | 0 | 0 | 110.9 | ||||
| 355 | V | 40.8 | Very low | 44.5 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 71% | 0.709 | 79% | 0.793 | S | S | * | * | trans | -140.6 | 115.4 | 161.4 | -179 | 0 | 0 | 0 | 0 | 109.1 | I357 | V355-I357 HydrophobicContact CG1-CD1 4.32Å; V355-I357 HydrophobicContact CG1-CG1 4.35Å | ||
| 356 | P | 47.4 | Very low | 43.6 | Very low | 123 Ų | 123 | 145 Ų | 145 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -107.7 | 98.9 | -177.3 | 35.8 | -28.1 | 0 | 0 | 0 | 113.2 | ||||
| 357 | I | 41.1 | Very low | 43 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | trans | -149.1 | 141 | 175.5 | -52.7 | 178.2 | 0 | 0 | 0 | 109 | V355 | V355-I357 HydrophobicContact CG1-CD1 4.32Å; V355-I357 HydrophobicContact CG1-CG1 4.35Å | ||
| 358 | Q | 35.5 | Very low | 42.3 | Very low | 174 Ų | 174 | 143.5 Ų | 143.5 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | cis | -164 | 141 | -33.4 | -166.9 | 160.3 | 10.2 | 0 | 0 | 106.8 | ||||
| 359 | L | 47.4 | Very low | 41.2 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | trans | -84 | 136.1 | -176.4 | -69.5 | 172 | 0 | 0 | 0 | 112.6 | ||||
| 360 | P | 47.3 | Very low | 40.8 | Very low | 127 Ų | 127 | 139 Ų | 139 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -70.1 | 146.3 | 166.1 | -16 | 30.9 | 0 | 0 | 0 | 112 | ||||
| 361 | I | 38.7 | Very low | 40.1 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | trans | -112.6 | 125.2 | -170.2 | -71.7 | 174.2 | 0 | 0 | 0 | 112.9 | ||||
| 362 | A | 42.4 | Very low | 39.6 | Very low | 94 Ų | 94 | 136 Ų | 136 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | 41.1 | 129.8 | 147.2 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 363 | S | 38.4 | Very low | 39.4 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -147.1 | 127.6 | 132.4 | 48.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 364 | S | 35.8 | Very low | 38.5 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | cis | 72.4 | 119.8 | 49 | -153.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 365 | A | 36.1 | Very low | 38.1 | Very low | 75 Ų | 75 | 133 Ų | 133 | 62% | 0.62 | 79% | 0.785 | S | S | * | * | cis | -162 | -170.3 | 4.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 366 | Y | 34.9 | Very low | 38.2 | Very low | 233 Ų | 233 | 133.3 Ų | 133.3 | 91% | 0.914 | 79% | 0.79 | S | S | * | * | trans | 87.1 | 137.5 | 162.8 | -73.1 | -79.5 | 0 | 0 | 0 | 122.4 | ||||
| 367 | L | 38.9 | Very low | 37.5 | Very low | 159 Ų | 159 | 133.1 Ų | 133.1 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -87.7 | 176.1 | 166.1 | -66.5 | 173.7 | 0 | 0 | 0 | 109.2 | ||||
| 368 | P | 45.3 | Very low | 36.9 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | cis | -153.9 | 177.1 | 27.5 | 46.3 | -24.8 | 0 | 0 | 0 | 120.4 | ||||
| 369 | S | 29.8 | Very low | 36.8 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | 43.9 | 128.5 | 138.5 | -149.6 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 370 | L | 34.7 | Very low | 36.1 | Very low | 150 Ų | 150 | 129.4 Ų | 129.4 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | 63.3 | 124.7 | 143.6 | -109 | 73.8 | 0 | 0 | 0 | 123.7 | ||||
| 371 | S | 34.5 | Very low | 35.6 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | 71.3 | 142.3 | 138.4 | 74.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 372 | G | 30 | Very low | 35.3 | Very low | 76 Ų | 76 | 132.4 Ų | 132.4 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | 155.4 | 109.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 373 | S | 36.6 | Very low | 35.1 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | trans | -70.4 | 145 | 161.4 | 175.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 374 | Y | 28.4 | Very low | 34.7 | Very low | 221 Ų | 221 | 137 Ų | 137 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | 174.3 | 146.3 | 113.9 | -87.9 | -61.3 | 0 | 0 | 0 | 111.6 | |||||
| 375 | C | 35.2 | Very low | 34.8 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | -118.3 | 149.2 | 168.8 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 376 | P | 44.2 | Very low | 34.8 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | trans | -136.9 | 142.1 | 139.6 | 35.3 | -22.9 | 0 | 0 | 0 | 114.2 | ||||
| 377 | S | 31.2 | Very low | 35 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -79.1 | 147.2 | 162.2 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 378 | G | 28.8 | Very low | 34.7 | Very low | 76 Ų | 76 | 133.8 Ų | 133.8 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | -102.2 | 118.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 379 | S | 34.9 | Very low | 34.4 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -151.4 | 147.1 | 152.9 | 71 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 380 | K | 31.9 | Very low | 34.8 | Very low | 202 Ų | 202 | 139.9 Ų | 139.9 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | trans | -154.8 | 148.4 | 173.6 | -83.6 | -170.8 | 179.8 | 177.6 | 0 | 108 | ||||
| 381 | H | 36.3 | Very low | 34.9 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 66% | 0.662 | 81% | 0.809 | S | S | * | * | cis | -171.2 | 129.6 | -20.3 | -167.7 | -89.6 | 0 | 0 | 0 | 108.1 | ||||
| 382 | K | 32.6 | Very low | 34.7 | Very low | 209 Ų | 209 | 144.9 Ų | 144.9 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -160.9 | 156.5 | 151 | -127.2 | 170.6 | -177.4 | 175.9 | 0 | 112.8 | ||||
| 383 | Q | 38.4 | Very low | 35.5 | Very low | 140 Ų | 140 | 152.7 Ų | 152.7 | 65% | 0.654 | 81% | 0.814 | S | S | * | * | trans | -114.6 | 153.4 | -166.4 | -57.5 | 150.9 | -55.6 | 0 | 0 | 110.7 | ||||
| 384 | N | 30.5 | Very low | 35.4 | Very low | 164 Ų | 164 | 155.6 Ų | 155.6 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | -177.4 | 170.9 | 105.6 | -90.1 | -25.5 | 0 | 0 | 0 | 111.2 | |||||
| 385 | A | 37.2 | Very low | 35.7 | Very low | 90 Ų | 90 | 148.8 Ų | 148.8 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | trans | -129.9 | 151.8 | -157.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 386 | S | 37.2 | Very low | 35.9 | Very low | 109 Ų | 109 | 149.8 Ų | 149.8 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | 147.2 | 139.3 | 118.7 | 65.7 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 387 | R | 37.5 | Very low | 35.5 | Very low | 251 Ų | 251 | 151.3 Ų | 151.3 | 95% | 0.947 | 81% | 0.809 | S | S | * | * | trans | 39.6 | 130.5 | 147.7 | -61.9 | 178.7 | 174.9 | -159.2 | -2 | 121.2 | ||||
| 388 | G | 33.7 | Very low | 35.7 | Very low | 66 Ų | 66 | 151.9 Ų | 151.9 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | trans | 159 | 85 | 139.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 389 | T | 38.2 | Very low | 36.1 | Very low | 154 Ų | 154 | 154.4 Ų | 154.4 | 95% | 0.945 | 81% | 0.808 | S | S | * | * | trans | 58.6 | -165.1 | 150.7 | 71.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 390 | K | 39.9 | Very low | 35.9 | Very low | 193 Ų | 193 | 156 Ų | 156 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -122.2 | 137.9 | -146 | -70.6 | 175.8 | 179 | 172.1 | 0 | 114.6 | ||||
| 391 | R | 35.9 | Very low | 35.7 | Very low | 241 Ų | 241 | 150.3 Ų | 150.3 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | 54.1 | 122 | 150.6 | -62.3 | 171 | 73.4 | -158.2 | 6.9 | 118.8 | ||||
| 392 | V | 29.3 | Very low | 35.5 | Very low | 134 Ų | 134 | 150.9 Ų | 150.9 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | -161.3 | 158.4 | 120 | 131.4 | 0 | 0 | 0 | 0 | 110 | I394 | V392-I394 HydrophobicContact CG1-CG1 4.07Š| |||
| 393 | R | 46.8 | Very low | 35.7 | Very low | 240 Ų | 240 | 145.8 Ų | 145.8 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -103.6 | 134 | 172.2 | -65.1 | 174.4 | 176.7 | 140.1 | -6.8 | 109.8 | ||||
| 394 | I | 35.1 | Very low | 36.5 | Very low | 156 Ų | 156 | 144.8 Ų | 144.8 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -139.4 | 100.9 | 159.6 | -55.4 | -179.4 | 0 | 0 | 0 | 104.2 | V392 | V392-I394 HydrophobicContact CG1-CG1 4.07Š| ||
| 395 | A | 35.8 | Very low | 36.5 | Very low | 78 Ų | 78 | 141 Ų | 141 | 65% | 0.645 | 80% | 0.797 | S | S | * | * | 75.1 | 120.5 | 62.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 396 | P | 37.9 | Very low | 36.2 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -77 | 129.5 | 167 | 31.9 | -31.4 | 0 | 0 | 0 | 109.9 | ||||
| 397 | K | 37.6 | Very low | 35.9 | Very low | 155 Ų | 155 | 142.1 Ų | 142.1 | 67% | 0.674 | 80% | 0.797 | S | S | * | * | trans | -132.5 | 135.7 | 158.7 | -132.4 | 177.2 | -176.1 | -179 | 0 | 106.2 | E400 | K397-E400 VanDerWaalsContact CE-OE2 3.26Å; K397-E400 WeakPolarHBondContact CE-OE2 3.23Å; K397-E400 IonicContact NZ-OE2 2.8Å; K397-E400 PolarHBondContact NZ-OE2 2.92Å | ||
| 398 | V | 34.8 | Very low | 35.6 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | -172.5 | 148.1 | 90.1 | 158.1 | 0 | 0 | 0 | 0 | 105.3 | |||||
| 399 | T | 35.7 | Very low | 35.3 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | cis | -121.6 | 153.9 | 9.9 | 12.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 400 | E | 30.8 | Very low | 35.8 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | trans | -119 | 161.9 | 153 | -80 | 176.8 | 133 | 0 | 0 | 108.3 | K397 | K397-E400 VanDerWaalsContact CE-OE2 3.26Å; K397-E400 WeakPolarHBondContact CE-OE2 3.23Å; K397-E400 IonicContact NZ-OE2 2.8Å; K397-E400 PolarHBondContact NZ-OE2 2.92Å | ||
| 401 | G | 28.8 | Very low | 35.3 | Very low | 83 Ų | 83 | 135.9 Ų | 135.9 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | 178.8 | 91.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 402 | D | 32.9 | Very low | 35 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | trans | -150.8 | 157.8 | 175.1 | -162.6 | -8.5 | 0 | 0 | 0 | 109.6 | ||||
| 403 | S | 35.4 | Very low | 34.8 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | trans | 69 | 163 | 175.6 | -68.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 404 | P | 54.5 | Low | 34.2 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | cis | -142.1 | 166.6 | 16.9 | 46 | -28.9 | 0 | 0 | 0 | 119.2 | ||||
| 405 | A | 30.6 | Very low | 33.8 | Very low | 86 Ų | 86 | 125.8 Ų | 125.8 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | 109.7 | 143.1 | 125.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 406 | V | 31.5 | Very low | 33.5 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | trans | 89.5 | 131.3 | 150.1 | -178.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 407 | A | 31.1 | Very low | 33.3 | Very low | 79 Ų | 79 | 129.4 Ų | 129.4 | 65% | 0.653 | 76% | 0.755 | S | S | * | * | trans | 91.1 | 115.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 408 | L | 30.8 | Very low | 34.2 | Very low | 171 Ų | 171 | 127 Ų | 127 | 90% | 0.895 | 76% | 0.755 | S | S | * | * | trans | 56.7 | 121.2 | 135.6 | -82.1 | 79.2 | 0 | 0 | 0 | 122 | ||||
| 409 | A | 27.9 | Very low | 34 | Very low | 84 Ų | 84 | 127 Ų | 127 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | trans | -79.4 | 175.7 | 138.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 410 | P | 49.4 | Very low | 33.6 | Very low | 111 Ų | 111 | 126.9 Ų | 126.9 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | cis | -144.3 | -162.9 | 17.1 | 31.1 | -4.1 | 0 | 0 | 0 | 115.6 | ||||
| 411 | Q | 28.6 | Very low | 33.6 | Very low | 167 Ų | 167 | 125.4 Ų | 125.4 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | trans | 102.5 | 147.3 | 152.2 | -64.5 | -68.2 | 24.4 | 0 | 0 | 122.1 | ||||
| 412 | V | 29.1 | Very low | 34.3 | Very low | 108 Ų | 108 | 126.5 Ų | 126.5 | 66% | 0.655 | 74% | 0.743 | S | S | * | * | trans | -47.4 | 154.2 | -170.9 | -74.6 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 413 | D | 25.7 | Very low | 34.1 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | 82.3 | 139 | 129.5 | -86.8 | -37.7 | 0 | 0 | 0 | 126.8 | |||||
| 414 | L | 33.5 | Very low | 33.9 | Very low | 140 Ų | 140 | 128.5 Ų | 128.5 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | trans | 66.9 | 144.8 | 139.1 | -70.2 | 166.6 | 0 | 0 | 0 | 123.6 | ||||
| 415 | K | 28.2 | Very low | 32.8 | Very low | 180 Ų | 180 | 133.8 Ų | 133.8 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | 68.7 | 147.9 | 150.3 | -102.2 | 35.5 | -173.7 | 179.1 | 0 | 117.7 | ||||
| 416 | V | 29.5 | Very low | 32.8 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | cis | -174.9 | 173.2 | -28.3 | 107.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 417 | E | 32.5 | Very low | 32.8 | Very low | 177 Ų | 177 | 135.4 Ų | 135.4 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | trans | 77.1 | 151.9 | 164.8 | -78.1 | -119.5 | 82.4 | 0 | 0 | 121.2 | ||||
| 418 | P | 57.3 | Low | 32.7 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 69% | 0.688 | 74% | 0.741 | S | S | * | * | trans | -118 | -168.4 | -179.3 | 44.4 | -30.6 | 0 | 0 | 0 | 112.9 | ||||
| 419 | V | 30.8 | Very low | 33 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 79% | 0.788 | 74% | 0.739 | S | S | * | * | trans | -149 | 131.7 | 150.2 | 121.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 420 | N | 26.5 | Very low | 33.9 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | trans | -9.1 | 139.6 | 155.4 | -62.9 | -58.4 | 0 | 0 | 0 | 120.1 | ||||
| 421 | V | 31.9 | Very low | 34.2 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 74% | 0.739 | 74% | 0.742 | S | S | * | * | cis | 70.1 | 122.4 | 48 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 422 | P | 43.6 | Very low | 35.3 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 69% | 0.688 | 73% | 0.733 | S | S | * | * | -160.3 | 150.2 | 80.8 | 42 | -19.7 | 0 | 0 | 0 | 122.6 | |||||
| 423 | T | 28.9 | Very low | 35.5 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | trans | 81.4 | 138.3 | 134.3 | 50.9 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 424 | K | 29.6 | Very low | 35.9 | Very low | 190 Ų | 190 | 147.4 Ų | 147.4 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | trans | 75.3 | 137.1 | 143.5 | -75.8 | 160.7 | -172.2 | 171.1 | 0 | 118.1 | ||||
| 425 | R | 32.3 | Very low | 35.9 | Very low | 229 Ų | 229 | 148.9 Ų | 148.9 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | cis | -137.6 | 139.3 | -0.9 | -87.2 | 161.5 | 171.5 | 160.1 | -5.3 | 108.6 | ||||
| 426 | E | 29.8 | Very low | 36.1 | Very low | 141 Ų | 141 | 146.1 Ų | 146.1 | 66% | 0.659 | 75% | 0.751 | S | S | * | * | 39.3 | 122.8 | 98.7 | -161.7 | 163.9 | -172.5 | 0 | 0 | 115.3 | R428 | E426-R428 IonicContact OE1-CZ 2.7Å; E426-R428 IonicContact OE1-NE 3.49Å; E426-R428 PolarHBondContact OE1-NE 2.82Å; E426-R428 IonicContact OE1-NH2 3.59Å | |||
| 427 | T | 31.4 | Very low | 36.2 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | -164.1 | 131.6 | 78.6 | -40.5 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 428 | R | 29.2 | Very low | 36.6 | Very low | 194 Ų | 194 | 144.1 Ų | 144.1 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | trans | 16.6 | 127.1 | 148.7 | -49.3 | 168.6 | -171.7 | -166.8 | -2.1 | 124.2 | E426 | E426-R428 IonicContact OE1-CZ 2.7Å; E426-R428 IonicContact OE1-NE 3.49Å; E426-R428 PolarHBondContact OE1-NE 2.82Å; E426-R428 IonicContact OE1-NH2 3.59Å | ||
| 429 | K | 36.5 | Very low | 35.6 | Very low | 198 Ų | 198 | 143.8 Ų | 143.8 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | 63.4 | 160.3 | 127.5 | -72.8 | -172.3 | 177 | -177.8 | 0 | 121.7 | |||||
| 430 | P | 48.2 | Very low | 36 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | cis | -132.8 | -127.3 | -40.4 | 41.9 | -20.8 | 0 | 0 | 0 | 112.9 | ||||
| 431 | P | 54.6 | Low | 36.6 | Very low | 112 Ų | 112 | 153.7 Ų | 153.7 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -125.8 | -143.4 | -145.4 | 43.6 | -19 | 0 | 0 | 0 | 112.4 | ||||
| 432 | P | 51.4 | Low | 37.3 | Very low | 91 Ų | 91 | 157.4 Ų | 157.4 | 59% | 0.591 | 78% | 0.781 | S | S | * | * | cis | -138 | -168.7 | -17.4 | 40.5 | -21.2 | 0 | 0 | 0 | 115.5 | ||||
| 433 | K | 34.8 | Very low | 37.5 | Very low | 175 Ų | 175 | 161.1 Ų | 161.1 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | trans | 73.3 | 155.3 | 160 | -63 | 163.4 | -171.1 | 168.2 | 0 | 115.8 | ||||
| 434 | R | 33.8 | Very low | 37.7 | Very low | 216 Ų | 216 | 161.2 Ų | 161.2 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | cis | -148.8 | 171.8 | -8.8 | -128.6 | 171.6 | -177.1 | 173 | -1 | 111.7 | ||||
| 435 | Q | 33 | Very low | 38.2 | Very low | 172 Ų | 172 | 160.3 Ų | 160.3 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -62.4 | 138.9 | -177.2 | -56.9 | 137.4 | -67.3 | 0 | 0 | 113.9 | ||||
| 436 | S | 31.8 | Very low | 38.4 | Very low | 122 Ų | 122 | 155 Ų | 155 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | -176.4 | 149.7 | 110.8 | 51.4 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 437 | S | 32.2 | Very low | 38.6 | Very low | 128 Ų | 128 | 155.6 Ų | 155.6 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | -154.6 | 129.3 | 166.2 | -167.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 438 | S | 40.4 | Very low | 38.7 | Very low | 120 Ų | 120 | 154.2 Ų | 154.2 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -109.5 | 172 | -170 | -165.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 439 | S | 38.1 | Very low | 39.1 | Very low | 100 Ų | 100 | 152.4 Ų | 152.4 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | -61 | 127.9 | -163.9 | -166.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 440 | R | 38.7 | Very low | 39 | Very low | 233 Ų | 233 | 150.9 Ų | 150.9 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | 31.8 | 99.8 | 139.5 | -59 | -176.2 | -179.6 | -164.4 | -1.3 | 118.3 | ||||
| 441 | R | 39.1 | Very low | 38.2 | Very low | 233 Ų | 233 | 152.3 Ų | 152.3 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 128.6 | 155.9 | 179.9 | 177.9 | -172.3 | -177.2 | 5 | 111.6 | ||
| 442 | K | 45.5 | Very low | 37.4 | Very low | 200 Ų | 200 | 153.9 Ų | 153.9 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 148.7 | 155.1 | -77.9 | -171.1 | 176.4 | -176.2 | 0 | 109.1 | ||
| 443 | Q | 47.8 | Very low | 37.3 | Very low | 184 Ų | 184 | 155 Ų | 155 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 141.3 | 167.7 | -72.9 | 175.6 | -59.7 | 0 | 0 | 110.1 | ||
| 444 | S | 33 | Very low | 37.4 | Very low | 111 Ų | 111 | 152.5 Ų | 152.5 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -129.4 | 143.9 | 163.7 | -169 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 445 | L | 40.4 | Very low | 37.6 | Very low | 171 Ų | 171 | 149.4 Ų | 149.4 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | trans | -100.8 | 163.9 | 170.1 | -84.9 | 158.1 | 0 | 0 | 0 | 109.8 | ||||
| 446 | V | 36.3 | Very low | 37.6 | Very low | 118 Ų | 118 | 149.2 Ų | 149.2 | 72% | 0.715 | 80% | 0.796 | S | S | * | * | trans | -141.4 | 151 | -167.9 | 178.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 447 | N | 33.9 | Very low | 38 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | 150 | 150.7 | 150.2 | -77.9 | -6.2 | 0 | 0 | 0 | 110.8 | ||||
| 448 | S | 34.9 | Very low | 38.9 | Very low | 90 Ų | 90 | 148.2 Ų | 148.2 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | cis | -170.7 | 134.1 | -23.2 | -171.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 449 | L | 36.7 | Very low | 38.5 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | 54.6 | 146.9 | 147.6 | -78.7 | 167.2 | 0 | 0 | 0 | 125 | ||||
| 450 | Q | 35.2 | Very low | 38.2 | Very low | 165 Ų | 165 | 152.6 Ų | 152.6 | 77% | 0.771 | 79% | 0.791 | S | S | * | * | trans | 74 | 145.4 | 163.2 | -50.2 | -144.3 | -114.9 | 0 | 0 | 117.3 | ||||
| 451 | D | 31.7 | Very low | 38.2 | Very low | 147 Ų | 147 | 145.7 Ų | 145.7 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | cis | -137.2 | 177.5 | 10 | -101.8 | -37.3 | 0 | 0 | 0 | 114 | ||||
| 452 | E | 36.6 | Very low | 37.9 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | -106.9 | 163.5 | 176.7 | -148.1 | -156.1 | 129.9 | 0 | 0 | 112.2 | I454 | E452-I454 VanDerWaalsContact OE1-CG1 3.23Å; E452-I454 WeakPolarHBondContact OE1-CG1 3.26Å; E452-I454 PolarHBondContact OE1-N 3.23Å | ||
| 453 | P | 50.4 | Low | 37.4 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | -156.7 | 135.5 | 95.1 | 37.8 | -17.3 | 0 | 0 | 0 | 119.1 | |||||
| 454 | I | 35.5 | Very low | 36.5 | Very low | 122 Ų | 122 | 139 Ų | 139 | 63% | 0.626 | 76% | 0.759 | S | S | * | * | 48.7 | 114.2 | 120.8 | -57.1 | -175.2 | 0 | 0 | 0 | 121.3 | E452 | E452-I454 VanDerWaalsContact OE1-CG1 3.23Å; E452-I454 WeakPolarHBondContact OE1-CG1 3.26Å; E452-I454 PolarHBondContact OE1-N 3.23Å | |||
| 455 | L | 38.8 | Very low | 36.6 | Very low | 150 Ų | 150 | 139 Ų | 139 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | 48.6 | 130.2 | 143.9 | -64 | 172.6 | 0 | 0 | 0 | 123.1 | ||||
| 456 | L | 31.8 | Very low | 36.3 | Very low | 168 Ų | 168 | 134 Ų | 134 | 88% | 0.88 | 75% | 0.75 | S | S | * | * | -163.1 | 139.8 | 106.2 | -106.9 | 170.6 | 0 | 0 | 0 | 112 | |||||
| 457 | C | 40.5 | Very low | 36.5 | Very low | 105 Ų | 105 | 135 Ų | 135 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | trans | -121.3 | 152.9 | 170.5 | -62.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 458 | P | 51.2 | Low | 36.5 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | trans | -113.3 | 136.1 | 154.2 | 34.8 | -25.5 | 0 | 0 | 0 | 111.4 | ||||
| 459 | D | 33.4 | Very low | 36.6 | Very low | 148 Ų | 148 | 132.3 Ų | 132.3 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | -69.9 | 160.8 | 172.8 | -59.5 | -83.9 | 0 | 0 | 0 | 112.8 | ||||
| 460 | N | 31.4 | Very low | 36.3 | Very low | 165 Ų | 165 | 131.2 Ų | 131.2 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | -156 | 133.7 | 122.6 | -102.5 | -42.7 | 0 | 0 | 0 | 111.2 | |||||
| 461 | S | 38.2 | Very low | 36.2 | Very low | 88 Ų | 88 | 129.5 Ų | 129.5 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | trans | -87.2 | 164.6 | 175.2 | 46.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 462 | F | 31.9 | Very low | 36.4 | Very low | 170 Ų | 170 | 126.7 Ų | 126.7 | 75% | 0.746 | 74% | 0.741 | S | S | * | * | 169.9 | 121.9 | 115.4 | -106.3 | -106.5 | 0 | 0 | 0 | 111.2 | |||||
| 463 | F | 34.8 | Very low | 36.2 | Very low | 175 Ų | 175 | 126 Ų | 126 | 77% | 0.768 | 75% | 0.747 | S | S | * | * | trans | 50.9 | 155.3 | 140.5 | -71.5 | -109.3 | 0 | 0 | 0 | 121.1 | ||||
| 464 | D | 28.9 | Very low | 35.3 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | cis | -174.5 | 161.3 | -18.8 | 175.1 | 34 | 0 | 0 | 0 | 109 | ||||
| 465 | S | 37 | Very low | 35.2 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | 61.3 | 145.1 | 173.1 | 72.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 466 | G | 32.6 | Very low | 34.8 | Very low | 67 Ų | 67 | 126.3 Ų | 126.3 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | cis | 124 | 150.1 | 38.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 467 | V | 40.3 | Very low | 35 | Very low | 139 Ų | 139 | 124.1 Ų | 124.1 | 84% | 0.842 | 74% | 0.741 | S | S | * | * | cis | -155.6 | 165 | 2.7 | -72.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 468 | A | 34 | Very low | 34.8 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 69% | 0.686 | 74% | 0.741 | S | S | * | * | trans | 44.9 | 130.3 | 145.6 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 469 | S | 36.7 | Very low | 33.9 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | 61.8 | 151.4 | 119.3 | -68.9 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 470 | D | 30.9 | Very low | 34 | Very low | 135 Ų | 135 | 126.1 Ų | 126.1 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | cis | -159.7 | 179.4 | -5.1 | -121.4 | -51.7 | 0 | 0 | 0 | 113.5 | ||||
| 471 | V | 34 | Very low | 33.8 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 78% | 0.782 | 72% | 0.724 | S | S | * | * | trans | -7.8 | 156.7 | 143.5 | 139.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 472 | S | 36.1 | Very low | 33.5 | Very low | 88 Ų | 88 | 125.9 Ų | 125.9 | 62% | 0.615 | 73% | 0.728 | S | S | * | * | cis | 173.8 | 157.9 | -22.5 | 175.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 473 | T | 32.4 | Very low | 33.7 | Very low | 131 Ų | 131 | 123.3 Ų | 123.3 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | trans | 66 | 164.7 | 168 | 4.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 474 | S | 30.4 | Very low | 33.5 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | cis | -161.6 | 137.3 | 6.9 | 39.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 475 | Q | 33.5 | Very low | 33.6 | Very low | 172 Ų | 172 | 123 Ų | 123 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | 78.4 | 123.3 | 78.6 | 178.1 | 158.1 | 4.3 | 0 | 0 | 118.5 | |||||
| 476 | D | 30.6 | Very low | 33.5 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 63% | 0.631 | 72% | 0.719 | S | S | * | * | trans | 92.2 | 161.4 | 149.5 | -112.6 | -55.7 | 0 | 0 | 0 | 124.8 | ||||
| 477 | V | 36.6 | Very low | 33.6 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 75% | 0.745 | 72% | 0.718 | S | S | * | * | trans | 71.7 | 113 | 171.8 | -163 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 478 | R | 36.3 | Very low | 33.1 | Very low | 193 Ų | 193 | 127.9 Ų | 127.9 | 73% | 0.728 | 71% | 0.706 | S | S | * | * | 71.2 | 155.5 | 58.7 | -61.7 | -145.7 | -136 | 169.9 | 6.2 | 113.9 | |||||
| 479 | E | 31.7 | Very low | 32.8 | Very low | 151 Ų | 151 | 131.3 Ų | 131.3 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | cis | -162.1 | 170.2 | -3.4 | -119 | 160.6 | -176.6 | 0 | 0 | 106.3 | ||||
| 480 | A | 34.8 | Very low | 32.8 | Very low | 75 Ų | 75 | 134.5 Ų | 134.5 | 62% | 0.62 | 71% | 0.709 | S | S | * | * | cis | -161.2 | -156.9 | 0.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 481 | N | 27.3 | Very low | 32.4 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | trans | 76.1 | 124.6 | 165.6 | -51.9 | -15.4 | 0 | 0 | 0 | 117.7 | ||||
| 482 | S | 33 | Very low | 32.6 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | cis | 86.7 | 151.2 | 30.9 | 90.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 483 | T | 34.8 | Very low | 33.4 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | cis | -148.9 | 163.5 | 21.7 | -47.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 484 | E | 30.7 | Very low | 33.3 | Very low | 143 Ų | 143 | 134 Ų | 134 | 67% | 0.668 | 72% | 0.718 | S | S | * | * | trans | 143.9 | 150.7 | 140.1 | -78 | -72.4 | 74.6 | 0 | 0 | 112.7 | ||||
| 485 | Q | 32.1 | Very low | 33.5 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 73% | 0.729 | 73% | 0.725 | S | S | * | * | cis | -132.1 | -112 | -0.5 | -165 | 162.2 | 81.8 | 0 | 0 | 112.3 | ||||
| 486 | Q | 33.7 | Very low | 33.3 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | trans | -131.7 | -170.6 | -174.1 | -53.9 | 173.4 | 26.6 | 0 | 0 | 109.2 | ||||
| 487 | Q | 35.4 | Very low | 33.4 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | cis | -163.2 | 159.9 | 5.3 | -142.8 | -172.2 | 76.8 | 0 | 0 | 105.6 | ||||
| 488 | H | 31.1 | Very low | 33.3 | Very low | 128 Ų | 128 | 143 Ų | 143 | 59% | 0.593 | 72% | 0.724 | S | S | * | * | cis | -144.4 | -146.3 | -6.3 | -134.3 | -13.4 | 0 | 0 | 0 | 104.4 | ||||
| 489 | F | 27.5 | Very low | 33 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 68% | 0.68 | 72% | 0.718 | S | S | * | * | cis | -168 | 166.7 | -20.6 | -114.7 | -24.7 | 0 | 0 | 0 | 104.4 | ||||
| 490 | Q | 34.9 | Very low | 33.1 | Very low | 169 Ų | 169 | 141.8 Ų | 141.8 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | cis | -165.4 | 149.1 | -17.6 | -170.3 | 177.5 | 10.5 | 0 | 0 | 107.2 | ||||
| 491 | G | 24.4 | Very low | 33.2 | Very low | 73 Ų | 73 | 144.3 Ų | 144.3 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | trans | 132.4 | 129.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 492 | S | 37 | Very low | 34.2 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | trans | -125.5 | -171.9 | -175.3 | -46.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 493 | P | 52.6 | Low | 34.2 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | cis | -141.9 | 167.8 | 1.2 | 41.2 | -21.1 | 0 | 0 | 0 | 119 | ||||
| 494 | E | 31.5 | Very low | 34.7 | Very low | 171 Ų | 171 | 148.9 Ų | 148.9 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | trans | 47 | 116.8 | 138.7 | -65.6 | 172.9 | 177 | 0 | 0 | 124.5 | ||||
| 495 | R | 33.2 | Very low | 34.8 | Very low | 231 Ų | 231 | 147.8 Ų | 147.8 | 87% | 0.872 | 75% | 0.745 | S | S | * | * | 178.2 | 131.6 | 101.8 | -95.1 | 178.5 | 172.6 | 164.1 | -0.7 | 109 | |||||
| 496 | E | 31.1 | Very low | 34.8 | Very low | 160 Ų | 160 | 148.9 Ų | 148.9 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | 64.4 | 119.2 | 52.4 | -71.7 | -149 | 153.9 | 0 | 0 | 114.8 | |||||
| 497 | L | 32.2 | Very low | 35 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 73% | 0.728 | 74% | 0.742 | S | S | * | * | cis | -128.9 | -129.6 | -11.2 | -54.9 | 95.2 | 0 | 0 | 0 | 109.5 | ||||
| 498 | Y | 33.9 | Very low | 34.9 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 69% | 0.69 | 75% | 0.749 | S | S | * | * | cis | -157.4 | 142 | -0.7 | -161.2 | -124.9 | 0 | 0 | 0 | 112.7 | ||||
| 499 | F | 29.6 | Very low | 35.2 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 59% | 0.592 | 77% | 0.765 | S | S | * | * | trans | 37 | 120.3 | 154.5 | -86.5 | -130.8 | 0 | 0 | 0 | 125 | ||||
| 500 | K | 34 | Very low | 35.3 | Very low | 182 Ų | 182 | 147.2 Ų | 147.2 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | 56.5 | 141.3 | 122.3 | -67.4 | -176.2 | 179 | 173.2 | 0 | 123.7 | |||||
| 501 | T | 37.1 | Very low | 35.3 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -75.6 | -174.8 | 168.4 | 56.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 502 | P | 47.4 | Very low | 35.7 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | cis | -152.4 | -166 | 18.2 | 38.5 | -11.5 | 0 | 0 | 0 | 118.9 | ||||
| 503 | I | 34.8 | Very low | 35.7 | Very low | 149 Ų | 149 | 145 Ų | 145 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | 59 | 103.7 | 159.4 | -34.7 | -174 | 0 | 0 | 0 | 122.7 | ||||
| 504 | K | 45.4 | Very low | 35.8 | Very low | 202 Ų | 202 | 144.7 Ų | 144.7 | 88% | 0.878 | 75% | 0.754 | S | S | * | * | trans | 2.1 | 119.3 | 133.3 | -175.8 | -175.8 | -176 | -178.6 | 0 | 120.1 | ||||
| 505 | S | 32.9 | Very low | 35.9 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | trans | -153 | 167.3 | 158.2 | 69.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 506 | H | 31.6 | Very low | 35.9 | Very low | 179 Ų | 179 | 139.4 Ų | 139.4 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | trans | -72.5 | 127.1 | -161.2 | -91.6 | -103.4 | 0 | 0 | 0 | 118.7 | ||||
| 507 | S | 36.6 | Very low | 37 | Very low | 74 Ų | 74 | 137.1 Ų | 137.1 | 52% | 0.517 | 75% | 0.746 | S | S | . | * | 43.4 | 140.1 | 127.3 | 60.7 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 508 | H | 34.3 | Very low | 37.9 | Very low | 182 Ų | 182 | 136 Ų | 136 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | trans | 97.6 | 118.7 | 155.9 | -53.7 | -68.5 | 0 | 0 | 0 | 119.4 | ||||
| 509 | L | 36.9 | Very low | 38.9 | Very low | 177 Ų | 177 | 132.7 Ų | 132.7 | 93% | 0.927 | 75% | 0.747 | S | S | * | * | trans | -149.1 | 146.6 | 142.5 | -106.6 | 174.5 | 0 | 0 | 0 | 110 | ||||
| 510 | S | 30.3 | Very low | 39 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | -72.1 | 147.2 | -179.9 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 511 | S | 34.5 | Very low | 38.9 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | cis | 69.6 | 101 | 48.5 | -177.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 512 | S | 31.8 | Very low | 38.6 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | trans | -162 | 134.7 | 133.4 | -77.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 513 | T | 38.1 | Very low | 37.9 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | cis | 78.3 | 153.5 | 18.8 | 81.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 514 | P | 55.2 | Low | 37.8 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 66% | 0.662 | 75% | 0.747 | S | S | * | * | cis | -149.3 | 168 | -33.5 | 36.8 | -17.4 | 0 | 0 | 0 | 117.3 | ||||
| 515 | S | 33.3 | Very low | 38.1 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | trans | 52.9 | 155.8 | 133.3 | 77.6 | 0 | 0 | 0 | 0 | 126 | ||||
| 516 | K | 32.9 | Very low | 38.1 | Very low | 196 Ų | 196 | 129.7 Ų | 129.7 | 85% | 0.852 | 73% | 0.729 | S | S | * | * | trans | 114.9 | 152.1 | 135.5 | -87.3 | 173.8 | 177.6 | 176.2 | 0 | 120.2 | ||||
| 517 | P | 54.3 | Low | 38.4 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 72% | 0.721 | 72% | 0.724 | S | S | * | * | trans | -108.7 | -155.1 | -179.3 | 47.8 | -36.5 | 0 | 0 | 0 | 110.1 | ||||
| 518 | P | 51.6 | Low | 38.5 | Very low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | cis | -127.4 | -120.4 | -2.8 | 27 | 1.1 | 0 | 0 | 0 | 115.4 | ||||
| 519 | P | 53.4 | Low | 38.5 | Very low | 105 Ų | 105 | 128 Ų | 128 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | -124.4 | 150.7 | -105.8 | 38.2 | -22.3 | 0 | 0 | 0 | 116.7 | |||||
| 520 | N | 31.7 | Very low | 39.3 | Very low | 150 Ų | 150 | 124.5 Ų | 124.5 | 80% | 0.802 | 72% | 0.715 | S | S | * | * | trans | -174 | 139.3 | 153.5 | -104.7 | -25.8 | 0 | 0 | 0 | 109.7 | ||||
| 521 | V | 33.1 | Very low | 39.4 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 74% | 0.739 | 72% | 0.723 | S | S | * | * | 62.4 | 128.7 | 94.1 | 166.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 522 | T | 29.6 | Very low | 39.3 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 63% | 0.626 | 73% | 0.725 | S | S | * | * | cis | -172.1 | 144.1 | -4.4 | -97.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 523 | L | 33.6 | Very low | 39.6 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 80% | 0.801 | 72% | 0.724 | S | S | * | * | trans | 61.8 | 138.1 | 169.3 | -64.8 | 162.3 | 0 | 0 | 0 | 117.8 | ||||
| 524 | E | 33 | Very low | 39.3 | Very low | 147 Ų | 147 | 129.4 Ų | 129.4 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | 70.3 | 144.9 | 55.6 | -90.7 | -73.6 | 130.9 | 0 | 0 | 112.8 | W526 | E524-W526 PolarHBondContact OE2-N 2.85Š| |||
| 525 | P | 52.1 | Low | 38.4 | Very low | 89 Ų | 89 | 128 Ų | 128 | 58% | 0.578 | 73% | 0.73 | S | S | * | * | -156.2 | 146.3 | 81.4 | 43.3 | -23.2 | 0 | 0 | 0 | 121 | |||||
| 526 | W | 32.5 | Very low | 38.6 | Very low | 198 Ų | 198 | 132.7 Ų | 132.7 | 75% | 0.75 | 74% | 0.741 | S | S | * | * | trans | 83.9 | 135.2 | 152.4 | -44.9 | 124.3 | 0 | 0 | 0 | 116.1 | E524 | E524-W526 PolarHBondContact OE2-N 2.85Š| ||
| 527 | K | 37.5 | Very low | 38.5 | Very low | 168 Ų | 168 | 129.1 Ų | 129.1 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | cis | -165.9 | 168.5 | 0 | -100.1 | 161.3 | -169.6 | 164.9 | 0 | 105.8 | ||||
| 528 | V | 38 | Very low | 37.6 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | cis | -158.3 | 132.3 | 7.7 | 104.6 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 529 | T | 35.3 | Very low | 36.8 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | 74.7 | 131.4 | 80.2 | -53 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 530 | P | 52.6 | Low | 36 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | cis | -147.8 | -177.4 | -19.2 | 42.6 | -23.9 | 0 | 0 | 0 | 118 | ||||
| 531 | V | 33.3 | Very low | 36.2 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 92% | 0.915 | 75% | 0.745 | S | S | * | * | trans | 69.3 | 144.9 | 143.5 | 154.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 532 | G | 33.2 | Very low | 36.4 | Very low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | cis | -178.7 | -168.5 | -2.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 533 | K | 37.7 | Very low | 37.4 | Very low | 178 Ų | 178 | 134 Ų | 134 | 77% | 0.774 | 75% | 0.75 | S | S | * | * | trans | -137.6 | 157.7 | -162.4 | -125 | 176.1 | 162.4 | -84.6 | 0 | 113.2 | ||||
| 534 | D | 31.7 | Very low | 37.6 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 68% | 0.684 | 75% | 0.746 | S | S | * | * | trans | 36.5 | 114.4 | 151.5 | -46.9 | -25.3 | 0 | 0 | 0 | 121.7 | ||||
| 535 | G | 35.9 | Very low | 37.9 | Very low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | 88.1 | 100.3 | 124.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 536 | Q | 37.7 | Very low | 37.6 | Very low | 194 Ų | 194 | 138.3 Ų | 138.3 | 91% | 0.907 | 76% | 0.76 | S | S | * | * | trans | 76.1 | 143.1 | 145.8 | -72.7 | 175.7 | -48.9 | 0 | 0 | 122.3 | ||||
| 537 | S | 31.5 | Very low | 38 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | 70.7 | 150.6 | 176 | 81.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 538 | V | 34.3 | Very low | 37.6 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 76% | 0.758 | 76% | 0.763 | S | S | * | * | cis | -165.8 | 146.2 | -33.5 | 123.7 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 539 | L | 35.1 | Very low | 37.2 | Very low | 154 Ų | 154 | 128.5 Ų | 128.5 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | 67 | 150.5 | -173.2 | -63.1 | 172.1 | 0 | 0 | 0 | 114.9 | ||||
| 540 | D | 36.3 | Very low | 38.2 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | cis | -163.9 | -166.3 | -30.2 | -151 | -23.8 | 0 | 0 | 0 | 109.4 | ||||
| 541 | F | 36.5 | Very low | 37.3 | Very low | 181 Ų | 181 | 130 Ų | 130 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | 85.3 | 109.5 | 166.1 | -77.5 | -76.2 | 0 | 0 | 0 | 120.3 | ||||
| 542 | S | 36.8 | Very low | 37.3 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | 95.5 | 147.9 | 138.2 | -62.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 543 | P | 50.9 | Low | 37.8 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -128.8 | -168.5 | -154.3 | 33.2 | -10.2 | 0 | 0 | 0 | 114.5 | ||||
| 544 | I | 38.5 | Very low | 37.9 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | trans | 121.5 | 110.8 | 151.9 | -64.1 | 165.7 | 0 | 0 | 0 | 115.3 | ||||
| 545 | R | 38.4 | Very low | 37.8 | Very low | 223 Ų | 223 | 132.9 Ų | 132.9 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | trans | 59.7 | 136.2 | 154.4 | -65.6 | 172 | 178.9 | 177.7 | -1.6 | 117.6 | ||||
| 546 | T | 44.8 | Very low | 37.5 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | cis | 66.3 | 155.5 | 34.4 | 84.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 547 | P | 41.4 | Very low | 37.4 | Very low | 132 Ų | 132 | 135.3 Ų | 135.3 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | cis | -75.8 | 158.8 | 24.6 | 31.9 | -37.7 | 0 | 0 | 0 | 114.3 | ||||
| 548 | G | 29.1 | Very low | 37.4 | Very low | 66 Ų | 66 | 138.7 Ų | 138.7 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | cis | 130.5 | 106.6 | 4.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 549 | G | 30.3 | Very low | 37.4 | Very low | 76 Ų | 76 | 138.3 Ų | 138.3 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | trans | -99.1 | -107.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 550 | P | 55.8 | Low | 37.8 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | -140.4 | -177 | -112.3 | 43.3 | -27.7 | 0 | 0 | 0 | 116 | |||||
| 551 | V | 34.6 | Very low | 37.7 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | 77 | 162.7 | 155.7 | 163.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 552 | V | 33.4 | Very low | 37.7 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | 86.8 | 114 | -179.4 | -165.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 553 | T | 43.1 | Very low | 37.5 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | trans | -82.7 | 160.5 | 167.9 | 45.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 554 | P | 39.8 | Very low | 36.4 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | -141 | 132 | 115.1 | 35.2 | -22.4 | 0 | 0 | 0 | 115.6 | |||||
| 555 | R | 29.6 | Very low | 36.2 | Very low | 213 Ų | 213 | 138.9 Ų | 138.9 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | 20.7 | 113.1 | 128 | -176.1 | -161.4 | -172.7 | -169.2 | 4 | 117.9 | |||||
| 556 | Q | 30.5 | Very low | 36.4 | Very low | 177 Ų | 177 | 134.7 Ų | 134.7 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | -160.9 | 164 | 119.7 | -111.7 | 161.1 | -14.7 | 0 | 0 | 112.4 | |||||
| 557 | E | 34.8 | Very low | 36.7 | Very low | 141 Ų | 141 | 134 Ų | 134 | 66% | 0.659 | 76% | 0.764 | S | S | * | * | trans | -108.8 | -165.6 | -170.4 | -62 | 156.8 | 127.6 | 0 | 0 | 110.8 | ||||
| 558 | Y | 32.1 | Very low | 36.3 | Very low | 191 Ų | 191 | 136 Ų | 136 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | 93.1 | 129.9 | 162.3 | -54.9 | -77.2 | 0 | 0 | 0 | 120.4 | ||||
| 559 | T | 34.1 | Very low | 36.7 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | trans | 66 | 131.9 | 171.6 | 76.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 560 | T | 42.6 | Very low | 36.9 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | cis | 70.4 | 86.6 | 22.4 | -41.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 561 | F | 35.6 | Very low | 36 | Very low | 193 Ų | 193 | 146.2 Ų | 146.2 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | -143.4 | 152.2 | 141.7 | -94.2 | -68.3 | 0 | 0 | 0 | 111.8 | ||||
| 562 | S | 35.8 | Very low | 36.7 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | -112 | -161.3 | 174 | -170.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 563 | F | 32.3 | Very low | 36.7 | Very low | 174 Ų | 174 | 145.2 Ų | 145.2 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | trans | 72.8 | 161.9 | 178.6 | -55 | -75.9 | 0 | 0 | 0 | 115.2 | ||||
| 564 | N | 28.7 | Very low | 36.2 | Very low | 135 Ų | 135 | 147.6 Ų | 147.6 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | cis | -172.5 | 157.2 | -45 | -145.1 | 11.5 | 0 | 0 | 0 | 106.4 | ||||
| 565 | S | 34.1 | Very low | 35.8 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | 66.5 | 154.5 | 156.1 | -53.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 566 | T | 41.8 | Very low | 36.1 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | trans | -94.2 | 150.1 | 177.9 | 48.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 567 | P | 50.6 | Low | 36.8 | Very low | 100 Ų | 100 | 139 Ų | 139 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | trans | -119.6 | 164.1 | 150.5 | 42.3 | -32.7 | 0 | 0 | 0 | 110.3 | ||||
| 568 | F | 33.1 | Very low | 36.9 | Very low | 176 Ų | 176 | 142 Ų | 142 | 77% | 0.772 | 75% | 0.748 | S | S | * | * | cis | -128.3 | 151.4 | 7.1 | -81.3 | -86.9 | 0 | 0 | 0 | 108.5 | ||||
| 569 | K | 38.3 | Very low | 37 | Very low | 163 Ų | 163 | 139.7 Ų | 139.7 | 71% | 0.709 | 74% | 0.744 | S | S | * | * | 49.2 | 136 | 80.6 | -75.9 | 166.2 | 158.9 | -100.6 | 0 | 113.2 | |||||
| 570 | E | 33.4 | Very low | 37 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | cis | -149.4 | -169.1 | 17.7 | -144.4 | 130.2 | -122.8 | 0 | 0 | 114.3 | ||||
| 571 | L | 37.7 | Very low | 36.4 | Very low | 159 Ų | 159 | 143 Ų | 143 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | trans | -112.4 | -179.7 | -162.8 | -89.7 | 170.5 | 0 | 0 | 0 | 112.2 | ||||
| 572 | P | 48.3 | Very low | 36.1 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | cis | -142.4 | -167 | -16.3 | 30.6 | -6 | 0 | 0 | 0 | 115.9 | ||||
| 573 | L | 34.8 | Very low | 36.4 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | trans | 104.1 | 138.4 | 139.7 | -80.4 | 175.3 | 0 | 0 | 0 | 123 | ||||
| 574 | F | 33 | Very low | 36.1 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 77% | 0.772 | 76% | 0.755 | S | S | * | * | trans | 67.7 | 95.1 | 160.8 | -79.4 | -67.6 | 0 | 0 | 0 | 123.7 | ||||
| 575 | S | 31.2 | Very low | 37.1 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | 65.3 | 123.3 | 124 | 60.3 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 576 | S | 34.4 | Very low | 36.7 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | -64.6 | 159.5 | 150.7 | 175.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 577 | P | 46.4 | Very low | 36.1 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | -137.9 | -177.7 | 112.4 | 39.2 | -28.3 | 0 | 0 | 0 | 115.1 | |||||
| 578 | R | 36.7 | Very low | 35 | Very low | 205 Ų | 205 | 141.5 Ų | 141.5 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | trans | -92.5 | 164.6 | -178.6 | -73.6 | 164.2 | 101.3 | 129.2 | -1.6 | 113 | ||||
| 579 | E | 34.6 | Very low | 35.8 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 66% | 0.659 | 76% | 0.763 | S | S | * | * | trans | 54.3 | 132.4 | 141.5 | -69.2 | 154.6 | -144.9 | 0 | 0 | 120.2 | ||||
| 580 | L | 32.8 | Very low | 36.1 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | 167.5 | 164.6 | 111.7 | -85.5 | 172.7 | 0 | 0 | 0 | 112.9 | |||||
| 581 | L | 30.9 | Very low | 35.8 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | 75 | 105.7 | 162.3 | -48.3 | -169.4 | 0 | 0 | 0 | 121.2 | ||||
| 582 | T | 29.8 | Very low | 35.3 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | trans | -85.3 | 164.3 | 131.7 | 3.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 583 | P | 41.1 | Very low | 34.3 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | cis | -140.1 | -169.4 | 47.3 | 38.5 | -16.4 | 0 | 0 | 0 | 116.3 | ||||
| 584 | A | 27.5 | Very low | 34.8 | Very low | 91 Ų | 91 | 133.2 Ų | 133.2 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | -93.3 | -158.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 585 | P | 48.7 | Very low | 34.6 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | cis | -134.3 | -179.6 | -13.8 | 42 | -26.1 | 0 | 0 | 0 | 114.5 | ||||
| 586 | C | 26.2 | Very low | 34.5 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 177.9 | 133.2 | 136.8 | -100 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 587 | R | 28.7 | Very low | 34.2 | Very low | 240 Ų | 240 | 132.5 Ų | 132.5 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | 60.4 | 124.1 | 126.1 | -155.9 | 172 | -167.8 | 154.4 | 2.4 | 122.8 | |||||
| 588 | A | 26.8 | Very low | 33.5 | Very low | 86 Ų | 86 | 134.6 Ų | 134.6 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | -121.1 | -167.3 | 156.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 589 | P | 50.2 | Low | 33.2 | Very low | 109 Ų | 109 | 132 Ų | 132 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | cis | -110.5 | -159.8 | -28.1 | 39.8 | -23.2 | 0 | 0 | 0 | 110.4 | ||||
| 590 | P | 44.5 | Very low | 33 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | -125.9 | 157.7 | 68.9 | 6.5 | 18.8 | 0 | 0 | 0 | 113.3 | |||||
| 591 | T | 28 | Very low | 32.9 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | 81 | 110.8 | 58.7 | -44.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 592 | D | 27.4 | Very low | 32.9 | Very low | 164 Ų | 164 | 126.2 Ų | 126.2 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | -173.2 | 160.3 | 126.4 | -96 | -16.8 | 0 | 0 | 0 | 113 | |||||
| 593 | S | 27.3 | Very low | 33.2 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | -142.4 | -178.8 | -179.4 | 73.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 594 | P | 44.9 | Very low | 32.6 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | cis | -131.8 | -150 | 30.4 | 28.5 | 0.3 | 0 | 0 | 0 | 111.7 | ||||
| 595 | T | 28.7 | Very low | 32.8 | Very low | 104 Ų | 104 | 125.5 Ų | 125.5 | 64% | 0.638 | 77% | 0.765 | S | S | * | * | cis | -162.9 | 143.6 | 17.9 | -27.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 596 | E | 28.5 | Very low | 32.1 | Very low | 167 Ų | 167 | 125.4 Ų | 125.4 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | 56.5 | 158.5 | 148.6 | -85.3 | 177 | 130 | 0 | 0 | 121.8 | ||||
| 597 | T | 29 | Very low | 32.5 | Very low | 94 Ų | 94 | 125.7 Ų | 125.7 | 58% | 0.577 | 77% | 0.767 | S | S | * | * | cis | -154.5 | 148 | 5.6 | -2.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 598 | Q | 30.9 | Very low | 32.8 | Very low | 168 Ų | 168 | 119.9 Ų | 119.9 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | 60.8 | 161.2 | 150.3 | -66.6 | 175.6 | 29.3 | 0 | 0 | 117.9 | ||||
| 599 | L | 30.7 | Very low | 33.2 | Very low | 151 Ų | 151 | 123.4 Ų | 123.4 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | cis | -165.6 | 157.7 | -15.5 | -101.4 | 166.9 | 0 | 0 | 0 | 105.1 | ||||
| 600 | A | 30.3 | Very low | 32.6 | Very low | 76 Ų | 76 | 129.9 Ų | 129.9 | 63% | 0.628 | 78% | 0.781 | S | S | * | * | cis | -160.4 | 178 | -2.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 601 | D | 30 | Very low | 32 | Very low | 170 Ų | 170 | 129.3 Ų | 129.3 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | 64.4 | 155.1 | 158.9 | -84.3 | -36.5 | 0 | 0 | 0 | 122.9 | ||||
| 602 | A | 31.1 | Very low | 32.6 | Very low | 90 Ų | 90 | 131.2 Ų | 131.2 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | -123.4 | -166 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 603 | P | 37.2 | Very low | 33 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | cis | -128.2 | -177.7 | 24.6 | 41.6 | -23.8 | 0 | 0 | 0 | 115.4 | ||||
| 604 | A | 28.6 | Very low | 33.9 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -92.5 | 156.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 605 | A | 31 | Very low | 33.4 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -155 | 145.8 | 144.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 606 | S | 33.4 | Very low | 33.8 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -99.7 | 152.3 | -177.4 | 52.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 607 | P | 35.9 | Very low | 34.6 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -107.1 | 136.4 | 153.3 | 34.5 | -27.4 | 0 | 0 | 0 | 111.3 | ||||
| 608 | S | 33.7 | Very low | 35 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -75.1 | 146.1 | -179.9 | -59.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 609 | N | 35.3 | Very low | 35.4 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | -58.8 | 137.7 | 179.6 | -60.1 | -75.2 | 0 | 0 | 0 | 114.5 | ||||
| 610 | R | 37.7 | Very low | 36.4 | Very low | 245 Ų | 245 | 134.9 Ų | 134.9 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -146 | 118.3 | 136.6 | -74.2 | -158.1 | 172.8 | -180 | -2.1 | 111.2 | ||||
| 611 | S | 32.9 | Very low | 36.8 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -70.6 | 145.9 | 165.4 | 47.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 612 | I | 39.2 | Very low | 37.6 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | 61.2 | 105.2 | 58.8 | -53.7 | 168.5 | 0 | 0 | 0 | 112.4 | |||||
| 613 | T | 37.1 | Very low | 38.3 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | -169.3 | 100.4 | 124.4 | 23.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 614 | E | 44.8 | Very low | 38.6 | Very low | 191 Ų | 191 | 136.4 Ų | 136.4 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -70.5 | 154 | 130.9 | -64.5 | -174.3 | 158.8 | 0 | 0 | 106.2 | ||||
| 615 | G | 35.4 | Very low | 39.3 | Very low | 68 Ų | 68 | 135.3 Ų | 135.3 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | cis | 130.7 | 51.9 | 25 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 616 | L | 37.5 | Very low | 39.7 | Very low | 177 Ų | 177 | 135.2 Ų | 135.2 | 93% | 0.927 | 77% | 0.767 | S | S | * | * | trans | -76.8 | 148.6 | -174 | -76.4 | 177.2 | 0 | 0 | 0 | 112.5 | ||||
| 617 | I | 44.6 | Very low | 40.3 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | -90.7 | 127.7 | -167.4 | -63.7 | 165.7 | 0 | 0 | 0 | 110.5 | D619 | I617-D619 HydrophobicContact CG2-CB 3.62Š| ||
| 618 | L | 37.2 | Very low | 40.5 | Very low | 147 Ų | 147 | 137.8 Ų | 137.8 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | -101.7 | 90.2 | 164.6 | -72.5 | 173.3 | 0 | 0 | 0 | 109.4 | ||||
| 619 | D | 39.9 | Very low | 41 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | -123.5 | 44.6 | 179.6 | -164.7 | 22.3 | 0 | 0 | 0 | 111.6 | I617 | I617-D619 HydrophobicContact CG2-CB 3.62Š| ||
| 620 | T | 50.7 | Low | 41.1 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 83% | 0.828 | 74% | 0.743 | S | S | * | * | trans | -146.3 | 39.2 | 176.4 | 47.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 621 | M | 39.8 | Very low | 40.9 | Very low | 120 Ų | 120 | 132 Ų | 132 | 59% | 0.591 | 74% | 0.735 | S | S | * | * | trans | -118.6 | 140.5 | 178.1 | -70.9 | -179 | 65.5 | 0 | 0 | 112.6 | L625 | M621-L625 HydrophobicContact CE-CD1 3.42Å; M621-L625 VanDerWaalsContact CE-CD1 3.42Å | ||
| 622 | N | 46.7 | Very low | 40.9 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 67% | 0.674 | 73% | 0.73 | S | S | * | * | trans | -73 | 149.5 | -171.8 | -163.5 | -1.7 | 0 | 0 | 0 | 112.1 | S624 L625 | N622-S624 PolarHBondContact O-N 3.41Å; N622-L625 PolarHBondContact O-N 3.39Å | ||
| 623 | D | 45.4 | Very low | 40.7 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -6.2 | -168.4 | -87.2 | -49.1 | 0 | 0 | 0 | 116.4 | ||
| 624 | S | 43.8 | Very low | 40.3 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -5.6 | -177.7 | -56.7 | 0 | 0 | 0 | 0 | 115.3 | N622 | N622-S624 PolarHBondContact O-N 3.41Š|
| 625 | L | 42.8 | Very low | 39.9 | Very low | 79 Ų | 79 | 129.4 Ų | 129.4 | 41% | 0.414 | 72% | 0.723 | S | S | . | * | trans | -110.5 | 0.3 | -172 | -69.3 | 172.5 | 0 | 0 | 0 | 115.3 | M621 N622 K627 I628 | M621-L625 HydrophobicContact CE-CD1 3.42Å; M621-L625 VanDerWaalsContact CE-CD1 3.42Å; N622-L625 PolarHBondContact O-N 3.39Å; L625-K627 PolarHBondContact O-N 3.37Å; L625-I628 HydrophobicContact CD2-CD1 4.01Å; L625-I628 PolarHBondContact O-N 2.87Å | ||
| 626 | S | 40.2 | Very low | 39.7 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 27.4 | -176.5 | -43.2 | 0 | 0 | 0 | 0 | 115.8 | ||
| 627 | K | 46.1 | Very low | 39.9 | Very low | 187 Ų | 187 | 129.7 Ų | 129.7 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.5 | -6.3 | -177.5 | -82.1 | -169.7 | 174.6 | -177.9 | 0 | 115.4 | L625 L629 | L625-K627 PolarHBondContact O-N 3.37Å; K627-L629 PolarHBondContact O-N 3.18Å; K627-L629 VanDerWaalsContact O-N 3.07Å |
| 628 | I | 39.4 | Very low | 39.4 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 53% | 0.533 | 73% | 0.729 | S | S | . | * | trans | -81.5 | 89 | 174.9 | -52.1 | -179.3 | 0 | 0 | 0 | 108.5 | L625 V630 | L625-I628 HydrophobicContact CD2-CD1 4.01Å; L625-I628 PolarHBondContact O-N 2.87Å; I628-V630 HydrophobicContact CG2-CG2 3.85Å; I628-V630 PolarHBondContact O-N 3.46Å | ||
| 629 | L | 44.3 | Very low | 39.8 | Very low | 168 Ų | 168 | 131 Ų | 131 | 88% | 0.88 | 73% | 0.731 | S | S | * | * | trans | -80 | 103.3 | 165.9 | -76.6 | 168.4 | 0 | 0 | 0 | 108.5 | K627 | K627-L629 PolarHBondContact O-N 3.18Å; K627-L629 VanDerWaalsContact O-N 3.07Å | ||
| 630 | V | 37.3 | Very low | 39.9 | Very low | 92 Ų | 92 | 133 Ų | 133 | 56% | 0.558 | 74% | 0.735 | S | S | * | * | trans | -89.3 | 110.5 | 166.5 | -171.4 | 0 | 0 | 0 | 0 | 107.2 | I628 I632 | I628-V630 HydrophobicContact CG2-CG2 3.85Å; I628-V630 PolarHBondContact O-N 3.46Å; V630-I632 HydrophobicContact CG1-CD1 4.19Å; V630-I632 HydrophobicContact CG1-CG1 3.88Å | ||
| 631 | D | 33 | Very low | 39.3 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | trans | -94.2 | 125 | 173.2 | -155.1 | -22.7 | 0 | 0 | 0 | 108.7 | ||||
| 632 | I | 34.3 | Very low | 39.3 | Very low | 121 Ų | 121 | 135 Ų | 135 | 62% | 0.621 | 74% | 0.743 | S | S | * | * | trans | -121.5 | 86.7 | -177.3 | -53.7 | -178.9 | 0 | 0 | 0 | 107.6 | V630 F634 | V630-I632 HydrophobicContact CG1-CD1 4.19Å; V630-I632 HydrophobicContact CG1-CG1 3.88Å; I632-F634 HydrophobicContact CG2-CD2 4.2Å; I632-F634 HydrophobicContact CG2-CE2 3.78Å; I632-F634 PolarHBondContact O-N 3.38Å | ||
| 633 | S | 33.6 | Very low | 38.9 | Very low | 99 Ų | 99 | 132.5 Ų | 132.5 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | trans | -75.9 | 114.6 | -179.4 | -47.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 634 | F | 30.7 | Very low | 38.5 | Very low | 189 Ų | 189 | 133.4 Ų | 133.4 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | trans | -94.9 | 114 | 164.3 | -78.5 | -90.6 | 0 | 0 | 0 | 109.3 | I632 | I632-F634 HydrophobicContact CG2-CD2 4.2Å; I632-F634 HydrophobicContact CG2-CE2 3.78Å; I632-F634 PolarHBondContact O-N 3.38Å | ||
| 635 | S | 35.5 | Very low | 38.1 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | trans | -101.1 | 105.8 | 173.5 | -62.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 636 | A | 32.1 | Very low | 37.7 | Very low | 90 Ų | 90 | 136.7 Ų | 136.7 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | trans | -153.6 | 134.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 637 | L | 40 | Very low | 37.7 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | 64.7 | 87.8 | 176.9 | -55.4 | 175.5 | 0 | 0 | 0 | 116 | ||||
| 638 | D | 34.3 | Very low | 37 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | -157.5 | 99.3 | 122.2 | -98.7 | -24.5 | 0 | 0 | 0 | 107.7 | |||||
| 639 | D | 45.3 | Very low | 37.1 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -106 | 120.8 | 164.2 | -82.4 | -59.3 | 0 | 0 | 0 | 107.1 | ||||
| 640 | E | 42.3 | Very low | 36.8 | Very low | 184 Ų | 184 | 133.1 Ų | 133.1 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | -172.4 | 95 | 149.9 | -90.9 | -50.8 | 79.2 | 0 | 0 | 108.4 | ||||
| 641 | D | 39.6 | Very low | 37 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | 32 | 106.8 | 146.6 | -107.8 | 2.2 | 0 | 0 | 0 | 121 | ||||
| 642 | L | 38.2 | Very low | 37.5 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | 166.4 | 113.4 | 95.4 | -93.3 | 153.9 | 0 | 0 | 0 | 115.7 | |||||
| 643 | G | 39.5 | Very low | 37.8 | Very low | 73 Ų | 73 | 140.8 Ų | 140.8 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | 83.3 | 74.8 | 122.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 644 | I | 35.8 | Very low | 38.2 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -132 | 125.4 | 146.2 | -64.3 | 89.7 | 0 | 0 | 0 | 110.1 | ||||
| 645 | A | 35.2 | Very low | 38.6 | Very low | 84 Ų | 84 | 138.8 Ų | 138.8 | 69% | 0.694 | 79% | 0.792 | S | S | * | * | trans | 29.3 | 115.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | I647 | A645-I647 PolarHBondContact O-N 3.22Š| ||
| 646 | N | 35.5 | Very low | 38.6 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 91% | 0.914 | 80% | 0.797 | S | S | * | * | trans | -57.5 | 123.8 | 156.7 | -81.2 | -24.6 | 0 | 0 | 0 | 111 | ||||
| 647 | I | 39.7 | Very low | 38.7 | Very low | 165 Ų | 165 | 151.9 Ų | 151.9 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -111.5 | 120.3 | 151.8 | 50 | 171.5 | 0 | 0 | 0 | 107.6 | A645 L649 | A645-I647 PolarHBondContact O-N 3.22Å; I647-L649 PolarHBondContact O-N 3.08Å | ||
| 648 | S | 32.5 | Very low | 38.7 | Very low | 82 Ų | 82 | 151.4 Ų | 151.4 | 57% | 0.573 | 82% | 0.823 | S | S | * | * | trans | -79.9 | 124.5 | -171.4 | -170.9 | 0 | 0 | 0 | 0 | 111.3 | S650 E651 | S648-S650 WeakPolarHBondContact CB-OG 3.35Å; S648-S650 PolarHBondContact O-N 3.21Å; S648-S650 VanDerWaalsContact O-N 3.08Å; S648-S650 PolarHBondContact OG-OG 3.45Å; S648-E651 PolarHBondContact O-N 2.87Å | ||
| 649 | L | 40.3 | Very low | 38.9 | Very low | 143 Ų | 143 | 150.4 Ų | 150.4 | 75% | 0.749 | 82% | 0.819 | S | S | * | * | G | 310 helix | trans | -67.7 | -8.7 | 178.4 | -148 | 136.3 | 0 | 0 | 0 | 112.8 | I647 E651 F652 | I647-L649 PolarHBondContact O-N 3.08Å; L649-E651 PolarHBondContact O-N 2.9Å; L649-F652 PolarHBondContact O-N 3.07Å |
| 650 | S | 38.8 | Very low | 38.6 | Very low | 96 Ų | 96 | 150.3 Ų | 150.3 | 67% | 0.671 | 82% | 0.819 | S | S | * | * | G | 310 helix | trans | -65.1 | -19.1 | 176.2 | 61.1 | 0 | 0 | 0 | 0 | 115 | S648 | S648-S650 WeakPolarHBondContact CB-OG 3.35Å; S648-S650 PolarHBondContact O-N 3.21Å; S648-S650 VanDerWaalsContact O-N 3.08Å; S648-S650 PolarHBondContact OG-OG 3.45Å |
| 651 | E | 41.3 | Very low | 38.3 | Very low | 178 Ų | 178 | 148.3 Ų | 148.3 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | G | 310 helix | trans | -83.8 | -12.8 | -177.8 | -160.4 | 164.4 | -154.8 | 0 | 0 | 112.9 | S648 L649 | S648-E651 PolarHBondContact O-N 2.87Å; L649-E651 PolarHBondContact O-N 2.9Å |
| 652 | F | 42.2 | Very low | 38.3 | Very low | 185 Ų | 185 | 148.7 Ų | 148.7 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -5.2 | -172.9 | -156.4 | -100.9 | 0 | 0 | 0 | 115.1 | L649 | L649-F652 PolarHBondContact O-N 3.07Š|
| 653 | L | 40.9 | Very low | 38.3 | Very low | 153 Ų | 153 | 148.3 Ų | 148.3 | 80% | 0.801 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | 18.7 | -176.3 | -67.9 | 175 | 0 | 0 | 0 | 113.7 | ||
| 654 | G | 42 | Very low | 38.2 | Very low | 72 Ų | 72 | 153.6 Ų | 153.6 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -90.8 | 6.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 655 | Q | 39.6 | Very low | 38.4 | Very low | 174 Ų | 174 | 152.8 Ų | 152.8 | 81% | 0.813 | 82% | 0.824 | S | S | * | * | trans | -150.7 | 61.9 | -166.5 | -158.3 | 159.8 | 39.7 | 0 | 0 | 116.8 | ||||
| 656 | F | 36.5 | Very low | 38.6 | Very low | 217 Ų | 217 | 158.6 Ų | 158.6 | 95% | 0.952 | 84% | 0.835 | S | S | * | * | trans | -145.3 | 99.7 | 153 | -82.3 | -68 | 0 | 0 | 0 | 111.7 | ||||
| 657 | M | 34.3 | Very low | 38.9 | Very low | 267 Ų | 267 | 157.5 Ų | 157.5 | 100% | 1.315 | 83% | 0.828 | S | S | * | * | trans | -104.9 | 0 | 140.9 | -96.6 | -164.9 | -178.4 | 0 | 0 | 107.3 |
Retrieved 657 of 657 residues in 626.1 ms
(Link to these results)