| 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 | 60.6 | Low | 53.3 | Low | 240 Ų | 240 | 158.5 Ų | 158.5 | 100% | 1.182 | 84% | 0.842 | S | S | * | * | 0 | 150.1 | 0 | -82.3 | 47.8 | -179.6 | 0 | 0 | 108.8 | |||||
| 2 | R | 46 | Very low | 53.1 | Low | 237 Ų | 237 | 162.1 Ų | 162.1 | 89% | 0.894 | 85% | 0.851 | S | S | * | * | trans | -97.5 | 148.9 | 176.2 | -67 | 176.3 | 171.7 | 110.5 | -3.7 | 109.5 | ||||
| 3 | N | 60.7 | Low | 52.3 | Low | 161 Ų | 161 | 157.8 Ų | 157.8 | 86% | 0.861 | 84% | 0.843 | S | S | * | * | trans | -152 | 120.6 | 143.8 | -107 | -26.5 | 0 | 0 | 0 | 109.7 | ||||
| 4 | I | 51.9 | Low | 52.2 | Low | 134 Ų | 134 | 154.9 Ų | 154.9 | 69% | 0.687 | 84% | 0.836 | S | S | * | * | trans | -130.8 | 126.3 | 177.4 | -84.6 | 171 | 0 | 0 | 0 | 105 | Y6 | I4-Y6 HydrophobicContact CG2-CD2 3.7Å; I4-Y6 HydrophobicContact CG2-CE2 4.12Å | ||
| 5 | M | 68 | Low | 52 | Low | 166 Ų | 166 | 150.8 Ų | 150.8 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -107.9 | 100.9 | 175.9 | -68.7 | -68.3 | -87.3 | 0 | 0 | 108.8 | ||||
| 6 | Y | 48.5 | Very low | 51.8 | Low | 208 Ų | 208 | 151.8 Ų | 151.8 | 82% | 0.816 | 84% | 0.835 | S | S | * | * | trans | -82.7 | 147.1 | 163.8 | -99.4 | -99.8 | 0 | 0 | 0 | 109.4 | I4 | I4-Y6 HydrophobicContact CG2-CD2 3.7Å; I4-Y6 HydrophobicContact CG2-CE2 4.12Å | ||
| 7 | F | 66.7 | Low | 51.6 | Low | 191 Ų | 191 | 150.2 Ų | 150.2 | 84% | 0.838 | 83% | 0.834 | S | S | * | * | trans | -128.5 | 117.3 | 157.7 | -105.2 | -88 | 0 | 0 | 0 | 109.2 | ||||
| 8 | G | 45 | Very low | 51.1 | Low | 69 Ų | 69 | 146.4 Ų | 146.4 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | trans | -81.5 | 174 | 153 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 9 | G | 43.2 | Very low | 50.8 | Low | 76 Ų | 76 | 147.5 Ų | 147.5 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | cis | 117.9 | 96.4 | 3.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 10 | T | 54.4 | Low | 50.9 | Low | 144 Ų | 144 | 147.2 Ų | 147.2 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | trans | -138.8 | 149.6 | 169.5 | 48.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 11 | C | 40.9 | Very low | 50.7 | Low | 117 Ų | 117 | 149.4 Ų | 149.4 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | trans | -119.3 | 154.3 | -177.6 | -58 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 12 | Q | 51.5 | Low | 50.3 | Low | 202 Ų | 202 | 142.4 Ų | 142.4 | 94% | 0.944 | 80% | 0.797 | S | S | * | * | trans | -165.2 | 151.4 | 143.6 | -109.9 | 147 | 104 | 0 | 0 | 112.6 | ||||
| 13 | S | 42.5 | Very low | 50.4 | Low | 107 Ų | 107 | 136.5 Ų | 136.5 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -149.7 | 150.8 | 171.5 | 175 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 14 | P | 51.2 | Low | 49.6 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | -150.4 | 162.9 | 123 | 37.5 | -21.7 | 0 | 0 | 0 | 116.7 | |||||
| 15 | A | 48.3 | Very low | 49.8 | Very low | 94 Ų | 94 | 132.4 Ų | 132.4 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | 67.3 | 144.1 | 143.2 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 16 | L | 49.7 | Very low | 49 | Very low | 167 Ų | 167 | 130.6 Ų | 130.6 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -102.4 | 172.7 | 161.4 | -56.9 | 172.9 | 0 | 0 | 0 | 108.8 | ||||
| 17 | P | 47.9 | Very low | 48.9 | Very low | 125 Ų | 125 | 128 Ų | 128 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | -155 | 162.1 | 96.1 | 40.1 | -21.9 | 0 | 0 | 0 | 118.5 | |||||
| 18 | A | 42.2 | Very low | 47.7 | Very low | 81 Ų | 81 | 126.8 Ų | 126.8 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | trans | 57.1 | 125.6 | 136.6 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 19 | L | 46.6 | Very low | 47.6 | Very low | 168 Ų | 168 | 128.6 Ų | 128.6 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | trans | 65.1 | 155.1 | 140.6 | -54.2 | 168.7 | 0 | 0 | 0 | 117.8 | ||||
| 20 | V | 52.1 | Low | 47.5 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | cis | -147.7 | 172.5 | 33.7 | 169.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 21 | R | 47.1 | Very low | 47.3 | Very low | 195 Ų | 195 | 130.5 Ų | 130.5 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | -150.6 | 160.4 | -176.6 | -173.7 | 63.4 | -165.9 | 128.8 | 0.8 | 109.1 | ||||
| 22 | P | 52.4 | Low | 47.4 | Very low | 93 Ų | 93 | 131.1 Ų | 131.1 | 60% | 0.604 | 77% | 0.773 | S | S | * | * | cis | -104 | -106 | 12.9 | 36.8 | -18.1 | 0 | 0 | 0 | 114.5 | ||||
| 23 | P | 48 | Very low | 47.6 | Very low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | cis | -119.4 | -171.4 | -15.8 | 42.6 | -27.5 | 0 | 0 | 0 | 115 | ||||
| 24 | A | 44 | Very low | 48.2 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -174.1 | 177.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 25 | P | 55.5 | Low | 48.1 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | cis | -114.9 | -151.9 | -17 | 34.6 | -12.8 | 0 | 0 | 0 | 111.4 | ||||
| 26 | P | 52.2 | Low | 48.1 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | -147.3 | -147.1 | 88 | 40.4 | -19.7 | 0 | 0 | 0 | 115.3 | |||||
| 27 | L | 46.1 | Very low | 48.5 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | trans | -132.5 | 147.7 | -153.1 | -67.9 | 166.5 | 0 | 0 | 0 | 116.6 | ||||
| 28 | Q | 40.7 | Very low | 48.9 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 77% | 0.771 | 76% | 0.757 | S | S | * | * | trans | 63.8 | 173 | 145.9 | -71.3 | -70.2 | -37.1 | 0 | 0 | 118.8 | ||||
| 29 | P | 43.6 | Very low | 48.9 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | cis | -132.1 | 160.6 | -13.4 | 31.1 | -11 | 0 | 0 | 0 | 117.9 | ||||
| 30 | S | 40.5 | Very low | 49.2 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | 60.3 | 163.6 | 143.9 | -147.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 31 | L | 50.7 | Low | 49.1 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | 67.9 | 144.6 | 174.2 | -49.8 | -177.1 | 0 | 0 | 0 | 117.7 | ||||
| 32 | D | 42.8 | Very low | 48.9 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | cis | -156.9 | 162.1 | -34 | -165.1 | 13.5 | 0 | 0 | 0 | 109.1 | ||||
| 33 | I | 56.3 | Low | 49 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | trans | 37.5 | 110.3 | 167.7 | -60.5 | 149.6 | 0 | 0 | 0 | 117.7 | ||||
| 34 | K | 53.7 | Low | 49.1 | Very low | 163 Ų | 163 | 132 Ų | 132 | 71% | 0.709 | 74% | 0.738 | S | S | * | * | 166.6 | 122.1 | 108.7 | -156.2 | 158.4 | -167.9 | 165.7 | 0 | 111.5 | F36 | K34-F36 PolarHBondContact O-N 3.46Š| |||
| 35 | P | 49.4 | Very low | 49.4 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 81% | 0.805 | 73% | 0.729 | S | S | * | * | trans | -77.6 | 96.3 | 179.8 | 30.8 | -33.9 | 0 | 0 | 0 | 111.6 | L37 | P35-L37 PolarHBondContact O-N 3.38Š| ||
| 36 | F | 49.4 | Very low | 49.4 | Very low | 184 Ų | 184 | 128.5 Ų | 128.5 | 81% | 0.807 | 72% | 0.719 | S | S | * | * | trans | -71.6 | 124.1 | 167.5 | -87.1 | -89.2 | 0 | 0 | 0 | 110.4 | K34 | K34-F36 PolarHBondContact O-N 3.46Š| ||
| 37 | L | 57.5 | Low | 49.5 | Very low | 149 Ų | 149 | 126.3 Ų | 126.3 | 78% | 0.78 | 70% | 0.703 | S | S | * | * | trans | -65.9 | 132.9 | -173.6 | -62.5 | 170.2 | 0 | 0 | 0 | 111.6 | P35 F39 | P35-L37 PolarHBondContact O-N 3.38Å; L37-F39 PolarHBondContact O-N 3.14Å | ||
| 38 | P | 55.5 | Low | 49.9 | Very low | 116 Ų | 116 | 124.2 Ų | 124.2 | 75% | 0.753 | 69% | 0.693 | S | S | * | * | trans | -70.3 | 115.6 | 167.2 | 29 | -31.7 | 0 | 0 | 0 | 108.9 | P40 | P38-P40 WeakPolarHBondContact O-CD 3.42Å; P38-P40 VanDerWaalsContact O-N 3.12Å | ||
| 39 | F | 42.4 | Very low | 50.9 | Low | 201 Ų | 201 | 122.3 Ų | 122.3 | 88% | 0.882 | 69% | 0.687 | S | S | * | * | trans | -51.1 | 113.2 | -178 | -73.4 | -94.1 | 0 | 0 | 0 | 112.5 | L37 L41 | L37-F39 PolarHBondContact O-N 3.14Å; F39-L41 PolarHBondContact O-N 3.2Å; F39-L41 VanDerWaalsContact O-N 3.13Å | ||
| 40 | P | 54.4 | Low | 51.7 | Low | 114 Ų | 114 | 120.8 Ų | 120.8 | 74% | 0.74 | 67% | 0.67 | S | S | * | * | trans | -77.2 | 99.3 | 165 | 0.2 | 18.8 | 0 | 0 | 0 | 106.8 | P38 D42 | P38-P40 WeakPolarHBondContact O-CD 3.42Å; P38-P40 VanDerWaalsContact O-N 3.12Å; P40-D42 HydrophobicContact CB-CB 4.45Å; P40-D42 PolarHBondContact O-N 3.44Å | ||
| 41 | L | 48.7 | Very low | 53 | Low | 173 Ų | 173 | 122.4 Ų | 122.4 | 91% | 0.906 | 68% | 0.678 | S | S | * | * | trans | -75 | 57.5 | 169.6 | -171.1 | 62.9 | 0 | 0 | 0 | 109.7 | F39 | F39-L41 PolarHBondContact O-N 3.2Å; F39-L41 VanDerWaalsContact O-N 3.13Å | ||
| 42 | D | 44.2 | Very low | 53.8 | Low | 105 Ų | 105 | 119.7 Ų | 119.7 | 56% | 0.561 | 66% | 0.664 | S | S | * | * | trans | -86.7 | 119.6 | -171.7 | -163.1 | -17.7 | 0 | 0 | 0 | 110.8 | P40 A44 | P40-D42 HydrophobicContact CB-CB 4.45Å; P40-D42 PolarHBondContact O-N 3.44Å; D42-A44 PolarHBondContact O-N 3.15Å; D42-A44 WeakPolarHBondContact OD1-CB 3.23Å; D42-A44 PolarHBondContact OD1-N 3.41Å | ||
| 43 | T | 52.9 | Low | 55 | Low | 126 Ų | 126 | 116 Ų | 116 | 77% | 0.773 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -73.2 | -5.9 | 178 | -42.6 | 0 | 0 | 0 | 0 | 111.9 | A45 | T43-A45 VanDerWaalsContact C-N 3.27Å; T43-A45 PolarHBondContact O-N 3.14Å |
| 44 | A | 49.9 | Very low | 55.7 | Low | 26 Ų | 26 | 116.3 Ų | 116.3 | 22% | 0.215 | 65% | 0.645 | C | S | . | * | G | 310 helix | trans | -68.7 | -16.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D42 A46 V47 N48 | D42-A44 PolarHBondContact O-N 3.15Å; D42-A44 WeakPolarHBondContact OD1-CB 3.23Å; D42-A44 PolarHBondContact OD1-N 3.41Å; A44-A46 VanDerWaalsContact C-N 3.28Å; A44-A46 PolarHBondContact O-N 3.48Å; A44-A46 VanDerWaalsContact O-N 3.12Å; A44-V47 WeakPolarHBondContact O-CA 3.34Å; A44-V47 PolarHBondContact O-N 3.38Å; A44-N48 PolarHBondContact O-N 3.07Å; A44-N48 PolarHBondContact O-ND2 3.15Å |
| 45 | A | 52 | Low | 56.8 | Low | 72 Ų | 72 | 112 Ų | 112 | 60% | 0.595 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -53.7 | -37.9 | -173 | 0 | 0 | 0 | 0 | 0 | 114.5 | T43 | T43-A45 VanDerWaalsContact C-N 3.27Å; T43-A45 PolarHBondContact O-N 3.14Å |
| 46 | A | 54.4 | Low | 58.1 | Low | 64 Ų | 64 | 108.6 Ų | 108.6 | 53% | 0.529 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -78 | -19.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A44 | A44-A46 VanDerWaalsContact C-N 3.28Å; A44-A46 PolarHBondContact O-N 3.48Å; A44-A46 VanDerWaalsContact O-N 3.12Å |
| 47 | V | 55.6 | Low | 59.6 | Low | 82 Ų | 82 | 103.6 Ų | 103.6 | 50% | 0.497 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.8 | -28.6 | -179.2 | -156.2 | 0 | 0 | 0 | 0 | 111.1 | A44 L49 F50 | A44-V47 WeakPolarHBondContact O-CA 3.34Å; A44-V47 PolarHBondContact O-N 3.38Å; V47-L49 PolarHBondContact O-N 3.28Å; V47-F50 PolarHBondContact O-N 3.02Å |
| 48 | N | 54.5 | Low | 60.9 | Low | 111 Ų | 111 | 101.3 Ų | 101.3 | 59% | 0.594 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -8.5 | 175.9 | -69.1 | -21.8 | 0 | 0 | 0 | 113.9 | A44 F50 | A44-N48 PolarHBondContact O-N 3.07Å; A44-N48 PolarHBondContact O-ND2 3.15Å; N48-F50 PolarHBondContact O-N 3.26Å |
| 49 | L | 61.7 | Low | 62.1 | Low | 125 Ų | 125 | 101.7 Ų | 101.7 | 65% | 0.654 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -18.5 | 172.6 | -82.5 | 163.5 | 0 | 0 | 0 | 113.6 | V47 | V47-L49 PolarHBondContact O-N 3.28Š|
| 50 | F | 58.6 | Low | 63.9 | Low | 74 Ų | 74 | 96.8 Ų | 96.8 | 33% | 0.325 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -126.5 | 93.5 | 174.5 | -64.6 | -76 | 0 | 0 | 0 | 110.1 | V47 N48 N52 F53 I64 F68 | V47-F50 PolarHBondContact O-N 3.02Å; N48-F50 PolarHBondContact O-N 3.26Å; F50-N52 PolarHBondContact O-N 3.36Å; F50-F53 HydrophobicContact CB-CB 4.21Å; F50-F53 PolarHBondContact O-N 2.9Å; F50-F53 VanDerWaalsContact O-N 3.08Å; F50-I64 HydrophobicContact CD2-CG2 4.41Å; F50-I64 HydrophobicContact CE2-CG2 4.15Å; F50-I64 HydrophobicContact CZ-CD1 4.48Å; F50-F68 HydrophobicContact CE2-CD2 4.39Å; F50-F68 HydrophobicContact CE2-CE2 4.13Å; F50-F68 HydrophobicContact CE2-CZ 4.42Å; F50-F68 AromaticContact CZ-CE2 3.92Å; F50-F68 HydrophobicContact CZ-CE2 3.92Å; F50-F68 HydrophobicContact CZ-CZ 4.07Å |
| 51 | P | 68 | Low | 65.2 | Low | 134 Ų | 134 | 93.6 Ų | 93.6 | 87% | 0.87 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -15.1 | -176.4 | -29.3 | 36.1 | 0 | 0 | 0 | 115.8 | ||
| 52 | N | 68.9 | Low | 66.6 | Low | 102 Ų | 102 | 88.1 Ų | 88.1 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | 34.1 | 178.6 | -157.1 | 0.3 | 0 | 0 | 0 | 114.2 | F50 N54 A55 M56 | F50-N52 PolarHBondContact O-N 3.36Å; N52-N54 PolarHBondContact O-N 2.86Å; N52-A55 PolarHBondContact O-N 3.25Å; N52-A55 VanDerWaalsContact O-N 3.08Å; N52-A55 WeakPolarHBondContact OD1-CB 3.41Å; N52-A55 PolarHBondContact OD1-N 3.43Å; N52-M56 WeakPolarHBondContact O-CG 3.36Å; N52-M56 PolarHBondContact O-N 2.86Å |
| 53 | F | 68.3 | Low | 68.6 | Low | 52 Ų | 52 | 87.1 Ų | 87.1 | 23% | 0.228 | 52% | 0.516 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -20 | 175.7 | -172.5 | -102.6 | 0 | 0 | 0 | 113.8 | F50 K61 I64 | F50-F53 HydrophobicContact CB-CB 4.21Å; F50-F53 PolarHBondContact O-N 2.9Å; F50-F53 VanDerWaalsContact O-N 3.08Å; F53-K61 HydrophobicContact CE1-CD 4.46Å; F53-K61 HydrophobicContact CE2-CB 4.25Å; F53-K61 HydrophobicContact CE2-CG 4.1Å; F53-K61 HydrophobicContact CZ-CB 4.16Å; F53-K61 HydrophobicContact CZ-CD 4.35Å; F53-K61 HydrophobicContact CZ-CG 4.16Å; F53-K61 VanDerWaalsContact O-CE 3.24Å; F53-K61 WeakPolarHBondContact O-CE 3.32Å; F53-K61 PolarHBondContact O-NZ 3.27Å; F53-I64 HydrophobicContact CD2-CG2 4.42Å; F53-I64 HydrophobicContact CE2-CB 4.38Å; F53-I64 HydrophobicContact CE2-CG2 3.88Å |
| 54 | N | 69.9 | Low | 69.7 | Low | 146 Ų | 146 | 82.2 Ų | 82.2 | 78% | 0.781 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -36.5 | 175.3 | -81.9 | -51.2 | 0 | 0 | 0 | 114.1 | N52 K61 | N52-N54 PolarHBondContact O-N 2.86Å; N54-K61 VanDerWaalsContact C-NZ 3.34Å; N54-K61 PolarHBondContact O-NZ 3.31Å |
| 55 | A | 77.8 | Confident | 70.9 | Confident | 73 Ų | 73 | 85 Ų | 85 | 60% | 0.603 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -5.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | N52 | N52-A55 PolarHBondContact O-N 3.25Å; N52-A55 VanDerWaalsContact O-N 3.08Å; N52-A55 WeakPolarHBondContact OD1-CB 3.41Å; N52-A55 PolarHBondContact OD1-N 3.43Å |
| 56 | M | 76.8 | Confident | 72 | Confident | 51 Ų | 51 | 89.3 Ų | 89.3 | 25% | 0.251 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -62.7 | 155.4 | 177.6 | -61.4 | -167.8 | 82.4 | 0 | 0 | 113 | N52 Q60 K61 I64 | N52-M56 WeakPolarHBondContact O-CG 3.36Å; N52-M56 PolarHBondContact O-N 2.86Å; M56-Q60 HydrophobicContact CB-CB 4.41Å; M56-Q60 HydrophobicContact CE-CB 3.96Å; M56-Q60 HydrophobicContact CE-CG 4.47Å; M56-K61 HydrophobicContact CB-CG 4.09Å; M56-K61 WeakPolarHBondContact O-CE 3.43Å; M56-I64 HydrophobicContact CE-CD1 3.74Å; M56-I64 HydrophobicContact SD-CD1 3.59Å; M56-I64 VanDerWaalsContact SD-CD1 3.59Å |
| 57 | D | 81 | Confident | 73.2 | Confident | 80 Ų | 80 | 90.9 Ų | 90.9 | 43% | 0.428 | 51% | 0.506 | S | S | . | . | trans | -63.2 | 141.8 | 176 | -174.2 | -73.4 | 0 | 0 | 0 | 111.6 | I59 Q60 K61 | D57-I59 PolarHBondContact O-N 2.8Å; D57-I59 VanDerWaalsContact O-N 3.13Å; D57-I59 VanDerWaalsContact OD1-CB 3.24Å; D57-I59 WeakPolarHBondContact OD1-CB 3.32Å; D57-I59 WeakPolarHBondContact OD1-CG1 3.24Å; D57-I59 PolarHBondContact OD1-N 2.65Å; D57-Q60 HydrophobicContact CB-CB 4.35Å; D57-Q60 HydrophobicContact CB-CG 4.12Å; D57-Q60 WeakPolarHBondContact O-CA 3.42Å; D57-Q60 WeakPolarHBondContact O-CB 3.4Å; D57-Q60 PolarHBondContact O-N 3.04Å; D57-K61 WeakPolarHBondContact O-CG 3.49Å; D57-K61 PolarHBondContact O-N 3.47Å | ||
| 58 | P | 82.8 | Confident | 73.9 | Confident | 101 Ų | 101 | 92.7 Ų | 92.7 | 66% | 0.656 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -48.7 | -35.6 | 174.5 | -29.7 | 36.6 | 0 | 0 | 0 | 115.3 | K61 A62 | P58-K61 PolarHBondContact O-N 2.85Å; P58-A62 WeakPolarHBondContact O-CB 3.34Å; P58-A62 PolarHBondContact O-N 3.06Å |
| 59 | I | 82.2 | Confident | 74.1 | Confident | 123 Ų | 123 | 89.8 Ų | 89.8 | 63% | 0.631 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.1 | -46.8 | 175.4 | -58.7 | 173.6 | 0 | 0 | 0 | 110.1 | D57 K61 A62 V63 | D57-I59 PolarHBondContact O-N 2.8Å; D57-I59 VanDerWaalsContact O-N 3.13Å; D57-I59 VanDerWaalsContact OD1-CB 3.24Å; D57-I59 WeakPolarHBondContact OD1-CB 3.32Å; D57-I59 WeakPolarHBondContact OD1-CG1 3.24Å; D57-I59 PolarHBondContact OD1-N 2.65Å; I59-K61 VanDerWaalsContact C-N 3.32Å; I59-K61 PolarHBondContact O-N 3.05Å; I59-A62 WeakPolarHBondContact O-CB 3.42Å; I59-A62 PolarHBondContact O-N 3.05Å; I59-A62 VanDerWaalsContact O-N 3.13Å; I59-V63 WeakPolarHBondContact O-CG2 3.46Å; I59-V63 PolarHBondContact O-N 3.07Å |
| 60 | Q | 79.3 | Confident | 74.1 | Confident | 99 Ų | 99 | 87 Ų | 87 | 46% | 0.463 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 176 | -67.9 | 177.9 | -34.2 | 0 | 0 | 111.5 | M56 D57 A62 V63 I64 | M56-Q60 HydrophobicContact CB-CB 4.41Å; M56-Q60 HydrophobicContact CE-CB 3.96Å; M56-Q60 HydrophobicContact CE-CG 4.47Å; D57-Q60 HydrophobicContact CB-CB 4.35Å; D57-Q60 HydrophobicContact CB-CG 4.12Å; D57-Q60 WeakPolarHBondContact O-CA 3.42Å; D57-Q60 WeakPolarHBondContact O-CB 3.4Å; D57-Q60 PolarHBondContact O-N 3.04Å; Q60-A62 VanDerWaalsContact C-N 3.33Å; Q60-A62 PolarHBondContact O-N 3.2Å; Q60-V63 PolarHBondContact O-N 3.41Å; Q60-I64 WeakPolarHBondContact O-CB 3.39Å; Q60-I64 WeakPolarHBondContact O-CG1 3.46Å; Q60-I64 PolarHBondContact O-N 2.67Å |
| 61 | K | 81.7 | Confident | 74 | Confident | 46 Ų | 46 | 89 Ų | 89 | 20% | 0.2 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 173.4 | -61.5 | -172.6 | -157.5 | -144.5 | 0 | 111.9 | F53 N54 M56 D57 P58 I59 N65 | F53-K61 HydrophobicContact CE1-CD 4.46Å; F53-K61 HydrophobicContact CE2-CB 4.25Å; F53-K61 HydrophobicContact CE2-CG 4.1Å; F53-K61 HydrophobicContact CZ-CB 4.16Å; F53-K61 HydrophobicContact CZ-CD 4.35Å; F53-K61 HydrophobicContact CZ-CG 4.16Å; F53-K61 VanDerWaalsContact O-CE 3.24Å; F53-K61 WeakPolarHBondContact O-CE 3.32Å; F53-K61 PolarHBondContact O-NZ 3.27Å; N54-K61 VanDerWaalsContact C-NZ 3.34Å; N54-K61 PolarHBondContact O-NZ 3.31Å; M56-K61 HydrophobicContact CB-CG 4.09Å; M56-K61 WeakPolarHBondContact O-CE 3.43Å; D57-K61 WeakPolarHBondContact O-CG 3.49Å; D57-K61 PolarHBondContact O-N 3.47Å; P58-K61 PolarHBondContact O-N 2.85Å; I59-K61 VanDerWaalsContact C-N 3.32Å; I59-K61 PolarHBondContact O-N 3.05Å; K61-N65 VanDerWaalsContact O-CB 3.29Å; K61-N65 WeakPolarHBondContact O-CB 3.3Å; K61-N65 PolarHBondContact O-N 2.91Å; K61-N65 PolarHBondContact O-ND2 2.9Å; K61-N65 VanDerWaalsContact O-ND2 3.08Å |
| 62 | A | 78.9 | Confident | 73.6 | Confident | 58 Ų | 58 | 88.6 Ų | 88.6 | 48% | 0.479 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | P58 I59 Q60 N65 H66 | P58-A62 WeakPolarHBondContact O-CB 3.34Å; P58-A62 PolarHBondContact O-N 3.06Å; I59-A62 WeakPolarHBondContact O-CB 3.42Å; I59-A62 PolarHBondContact O-N 3.05Å; I59-A62 VanDerWaalsContact O-N 3.13Å; Q60-A62 VanDerWaalsContact C-N 3.33Å; Q60-A62 PolarHBondContact O-N 3.2Å; A62-N65 PolarHBondContact O-N 2.69Å; A62-H66 WeakPolarHBondContact O-CB 3.29Å; A62-H66 PolarHBondContact O-N 2.91Å |
| 63 | V | 85 | Confident | 73 | Confident | 85 Ų | 85 | 88.8 Ų | 88.8 | 52% | 0.515 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 174.9 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | I59 Q60 H66 T67 | I59-V63 WeakPolarHBondContact O-CG2 3.46Å; I59-V63 PolarHBondContact O-N 3.07Å; Q60-V63 PolarHBondContact O-N 3.41Å; V63-H66 PolarHBondContact O-N 3.22Å; V63-T67 WeakPolarHBondContact O-CB 3.47Å; V63-T67 PolarHBondContact O-N 3.4Å; V63-T67 PolarHBondContact O-OG1 2.85Å; V63-T67 VanDerWaalsContact O-OG1 3.14Å |
| 64 | I | 77.2 | Confident | 72.3 | Confident | 22 Ų | 22 | 95.1 Ų | 95.1 | 11% | 0.113 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 177.7 | -72.7 | 168.9 | 0 | 0 | 0 | 111.1 | F50 F53 M56 Q60 H66 T67 F68 | F50-I64 HydrophobicContact CD2-CG2 4.41Å; F50-I64 HydrophobicContact CE2-CG2 4.15Å; F50-I64 HydrophobicContact CZ-CD1 4.48Å; F53-I64 HydrophobicContact CD2-CG2 4.42Å; F53-I64 HydrophobicContact CE2-CB 4.38Å; F53-I64 HydrophobicContact CE2-CG2 3.88Å; M56-I64 HydrophobicContact CE-CD1 3.74Å; M56-I64 HydrophobicContact SD-CD1 3.59Å; M56-I64 VanDerWaalsContact SD-CD1 3.59Å; Q60-I64 WeakPolarHBondContact O-CB 3.39Å; Q60-I64 WeakPolarHBondContact O-CG1 3.46Å; Q60-I64 PolarHBondContact O-N 2.67Å; I64-H66 VanDerWaalsContact C-N 3.29Å; I64-H66 PolarHBondContact O-N 3.42Å; I64-T67 PolarHBondContact O-N 3.01Å; I64-F68 HydrophobicContact CB-CD2 4.36Å; I64-F68 HydrophobicContact CG1-CE2 4.49Å; I64-F68 HydrophobicContact CG2-CD2 3.89Å; I64-F68 WeakPolarHBondContact O-CB 3.45Å; I64-F68 WeakPolarHBondContact O-CD2 3.33Å; I64-F68 PolarHBondContact O-N 3.44Å |
| 65 | N | 74.9 | Confident | 71.4 | Confident | 86 Ų | 86 | 98.1 Ų | 98.1 | 46% | 0.46 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.9 | -35.3 | 176.5 | -74.5 | -30.2 | 0 | 0 | 0 | 112.7 | K61 A62 G69 | K61-N65 VanDerWaalsContact O-CB 3.29Å; K61-N65 WeakPolarHBondContact O-CB 3.3Å; K61-N65 PolarHBondContact O-N 2.91Å; K61-N65 PolarHBondContact O-ND2 2.9Å; K61-N65 VanDerWaalsContact O-ND2 3.08Å; A62-N65 PolarHBondContact O-N 2.69Å; N65-G69 PolarHBondContact O-N 3.33Å |
| 66 | H | 74.7 | Confident | 70.3 | Confident | 162 Ų | 162 | 106 Ų | 106 | 75% | 0.75 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -74.3 | -46.2 | 177.9 | -174.1 | -85.7 | 0 | 0 | 0 | 112.2 | A62 V63 I64 | A62-H66 WeakPolarHBondContact O-CB 3.29Å; A62-H66 PolarHBondContact O-N 2.91Å; V63-H66 PolarHBondContact O-N 3.22Å; I64-H66 VanDerWaalsContact C-N 3.29Å; I64-H66 PolarHBondContact O-N 3.42Å |
| 67 | T | 79.3 | Confident | 69.7 | Low | 96 Ų | 96 | 110.1 Ų | 110.1 | 59% | 0.589 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -75.6 | -42.9 | -175.3 | -63 | 0 | 0 | 0 | 0 | 113 | V63 I64 G69 | V63-T67 WeakPolarHBondContact O-CB 3.47Å; V63-T67 PolarHBondContact O-N 3.4Å; V63-T67 PolarHBondContact O-OG1 2.85Å; V63-T67 VanDerWaalsContact O-OG1 3.14Å; I64-T67 PolarHBondContact O-N 3.01Å; T67-G69 VanDerWaalsContact C-N 3.31Å |
| 68 | F | 69.7 | Low | 69 | Low | 121 Ų | 121 | 114.3 Ų | 114.3 | 53% | 0.531 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -88.1 | 0.3 | -179.4 | -65.8 | -82 | 0 | 0 | 0 | 113.4 | F50 I64 V70 | F50-F68 HydrophobicContact CE2-CD2 4.39Å; F50-F68 HydrophobicContact CE2-CE2 4.13Å; F50-F68 HydrophobicContact CE2-CZ 4.42Å; F50-F68 AromaticContact CZ-CE2 3.92Å; F50-F68 HydrophobicContact CZ-CE2 3.92Å; F50-F68 HydrophobicContact CZ-CZ 4.07Å; I64-F68 HydrophobicContact CB-CD2 4.36Å; I64-F68 HydrophobicContact CG1-CE2 4.49Å; I64-F68 HydrophobicContact CG2-CD2 3.89Å; I64-F68 WeakPolarHBondContact O-CB 3.45Å; I64-F68 WeakPolarHBondContact O-CD2 3.33Å; I64-F68 PolarHBondContact O-N 3.44Å; F68-V70 HydrophobicContact CB-CG2 4.5Å; F68-V70 PolarHBondContact O-N 2.89Å |
| 69 | G | 59.3 | Low | 68.7 | Low | 49 Ų | 49 | 114.4 Ų | 114.4 | 51% | 0.505 | 58% | 0.581 | S | S | . | * | trans | 56.8 | 25.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | N65 T67 P71 | N65-G69 PolarHBondContact O-N 3.33Å; T67-G69 VanDerWaalsContact C-N 3.31Å; G69-P71 WeakPolarHBondContact O-CD 3.4Å | ||
| 70 | V | 61.1 | Low | 68.9 | Low | 67 Ų | 67 | 110.6 Ų | 110.6 | 41% | 0.406 | 56% | 0.561 | S | S | . | * | trans | -54.3 | 113.4 | -170 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | F68 L72 | F68-V70 HydrophobicContact CB-CG2 4.5Å; F68-V70 PolarHBondContact O-N 2.89Å; V70-L72 PolarHBondContact O-N 3.26Å | ||
| 71 | P | 57.7 | Low | 69.5 | Low | 117 Ų | 117 | 107.6 Ų | 107.6 | 76% | 0.76 | 55% | 0.551 | S | S | * | * | trans | -65.4 | 107.2 | -179.1 | -21.1 | 33.5 | 0 | 0 | 0 | 109 | G69 P73 | G69-P71 WeakPolarHBondContact O-CD 3.4Å; P71-P73 VanDerWaalsContact O-CD 3.24Å; P71-P73 WeakPolarHBondContact O-CD 3.49Å | ||
| 72 | L | 58.2 | Low | 70.1 | Confident | 124 Ų | 124 | 105.4 Ų | 105.4 | 65% | 0.649 | 54% | 0.542 | S | S | * | . | trans | -53.1 | 114.2 | 177 | -98.7 | 71.7 | 0 | 0 | 0 | 108.3 | V70 H74 | V70-L72 PolarHBondContact O-N 3.26Å; L72-H74 PolarHBondContact O-N 3.41Å | ||
| 73 | P | 56.7 | Low | 70.8 | Confident | 107 Ų | 107 | 109.3 Ų | 109.3 | 70% | 0.695 | 56% | 0.555 | S | S | * | * | trans | -61.9 | 115.2 | -177.2 | 23.4 | -32.5 | 0 | 0 | 0 | 107.8 | P71 R75 | P71-P73 VanDerWaalsContact O-CD 3.24Å; P71-P73 WeakPolarHBondContact O-CD 3.49Å; P73-R75 WeakPolarHBondContact O-CA 3.48Å; P73-R75 PolarHBondContact O-N 3.17Å | ||
| 74 | H | 54.3 | Low | 71.2 | Confident | 185 Ų | 185 | 107.4 Ų | 107.4 | 86% | 0.856 | 54% | 0.541 | S | S | * | . | trans | -40.9 | 107.4 | -168.9 | -77.9 | -88 | 0 | 0 | 0 | 110.6 | L72 R76 | L72-H74 PolarHBondContact O-N 3.41Å; H74-R76 PolarHBondContact O-N 2.95Å | ||
| 75 | R | 51.4 | Low | 71.9 | Confident | 208 Ų | 208 | 107.6 Ų | 107.6 | 79% | 0.785 | 54% | 0.544 | S | S | * | . | trans | -44.7 | 97.1 | -161 | -72.1 | -80.1 | -169.2 | 165.6 | 1.1 | 111.1 | P73 K77 | P73-R75 WeakPolarHBondContact O-CA 3.48Å; P73-R75 PolarHBondContact O-N 3.17Å; R75-K77 VanDerWaalsContact C-N 3.28Å; R75-K77 PolarHBondContact O-N 2.91Å | ||
| 76 | R | 54.5 | Low | 72.7 | Confident | 240 Ų | 240 | 111.8 Ų | 111.8 | 91% | 0.906 | 56% | 0.561 | S | S | * | * | trans | -63.6 | 95.2 | 169.4 | -82.1 | -174.6 | 172.4 | 134 | -2.6 | 106.3 | H74 Q78 | H74-R76 PolarHBondContact O-N 2.95Å; R76-Q78 PolarHBondContact O-N 3.4Å | ||
| 77 | K | 62.8 | Low | 73.5 | Confident | 136 Ų | 136 | 108 Ų | 108 | 59% | 0.591 | 55% | 0.546 | S | S | * | . | trans | -55.2 | 114.9 | -177 | -63.4 | -179.7 | -178.9 | -179.3 | 0 | 107.7 | R75 I79 N90 | R75-K77 VanDerWaalsContact C-N 3.28Å; R75-K77 PolarHBondContact O-N 2.91Å; K77-I79 WeakPolarHBondContact O-CG1 3.47Å; K77-I79 PolarHBondContact O-N 3.05Å; K77-N90 WeakPolarHBondContact CD-OD1 3.16Å | ||
| 78 | Q | 67.5 | Low | 74.2 | Confident | 168 Ų | 168 | 112.2 Ų | 112.2 | 79% | 0.785 | 55% | 0.551 | S | S | * | * | trans | -63.1 | 110 | 177 | -71.4 | 174.1 | -20.4 | 0 | 0 | 107.2 | R76 I80 | R76-Q78 PolarHBondContact O-N 3.4Å; Q78-I80 PolarHBondContact O-N 3.06Å | ||
| 79 | I | 75.8 | Confident | 75.3 | Confident | 103 Ų | 103 | 107.4 Ų | 107.4 | 53% | 0.528 | 53% | 0.53 | S | S | . | . | trans | -78 | 81.2 | -176.9 | -55.3 | -178.4 | 0 | 0 | 0 | 107.8 | K77 S81 R88 | K77-I79 WeakPolarHBondContact O-CG1 3.47Å; K77-I79 PolarHBondContact O-N 3.05Å; I79-S81 PolarHBondContact O-N 3.33Å; I79-R88 HydrophobicContact CG2-CB 3.84Å; I79-R88 HydrophobicContact CG2-CG 4.43Å | ||
| 80 | I | 86.6 | Confident | 76.8 | Confident | 43 Ų | 43 | 109.7 Ų | 109.7 | 22% | 0.221 | 53% | 0.531 | C | S | . | . | trans | -63.3 | 128.5 | 178 | -63.2 | 154.7 | 0 | 0 | 0 | 108 | Q78 F89 D92 A95 Y99 | Q78-I80 PolarHBondContact O-N 3.06Å; I80-F89 WeakPolarHBondContact O-CD2 3.49Å; I80-F89 PolarHBondContact O-N 2.97Å; I80-D92 HydrophobicContact CD1-CB 3.85Å; I80-D92 VanDerWaalsContact CD1-OD2 3.24Å; I80-D92 WeakPolarHBondContact CD1-OD2 3.44Å; I80-A95 HydrophobicContact CB-CB 3.97Å; I80-A95 HydrophobicContact CD1-CB 4.49Å; I80-A95 HydrophobicContact CG2-CB 3.48Å; I80-A95 VanDerWaalsContact CG2-CB 3.48Å; I80-Y99 HydrophobicContact CG2-CE2 4.2Å | ||
| 81 | S | 92.9 | Very high | 78.2 | Confident | 36 Ų | 36 | 108.8 Ų | 108.8 | 25% | 0.252 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 132.1 | -176 | 64.3 | 0 | 0 | 0 | 0 | 112.7 | I79 N83 L87 Y99 | I79-S81 PolarHBondContact O-N 3.33Å; S81-N83 PolarHBondContact O-N 3.1Å; S81-L87 CarbonylContact C-O 3.56Å; S81-L87 VanDerWaalsContact CA-O 3.28Å; S81-L87 WeakPolarHBondContact CA-O 3.5Å; S81-Y99 PolarHBondContact O-OH 2.86Å |
| 82 | C | 94.6 | Very high | 79.9 | Confident | 1 Ų | 1 | 108.2 Ų | 108.2 | 1% | 0.007 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 110.6 | -179 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | I84 C85 Q86 L87 F89 H98 Y99 H104 | C82-I84 VanDerWaalsContact C-N 3.31Å; C82-I84 PolarHBondContact O-N 3.39Å; C82-C85 HydrophobicContact CB-CB 4.48Å; C82-C85 PolarHBondContact O-N 3.38Å; C82-C85 PolarHBondContact SG-N 2.85Å; C82-Q86 VanDerWaalsContact O-CA 3.25Å; C82-Q86 WeakPolarHBondContact O-CA 3.38Å; C82-Q86 PolarHBondContact O-N 2.87Å; C82-L87 PolarHBondContact N-O 3.24Å; C82-F89 HydrophobicContact CB-CE2 4.05Å; C82-H98 PolarHBondContact SG-NE2 3.05Å; C82-Y99 WeakPolarHBondContact CA-OH 3.48Å; C82-Y99 HydrophobicContact CB-CE1 3.59Å; C82-H104 PolarHBondContact SG-CE1 3.35Å; C82-H104 PolarHBondContact SG-ND1 3.4Å; C82-H104 VanDerWaalsContact SG-ND1 3.39Å |
| 83 | N | 92.9 | Very high | 81.5 | Confident | 139 Ų | 139 | 106 Ų | 106 | 74% | 0.743 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -35.5 | -178.2 | -67.5 | -25.1 | 0 | 0 | 0 | 113.3 | S81 | S81-N83 PolarHBondContact O-N 3.1Š|
| 84 | I | 92.8 | Very high | 83.3 | Confident | 46 Ų | 46 | 105.6 Ų | 105.6 | 24% | 0.236 | 50% | 0.501 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -42.7 | 180 | -69.6 | 133.1 | 0 | 0 | 0 | 111.8 | C82 K107 L108 L111 | C82-I84 VanDerWaalsContact C-N 3.31Å; C82-I84 PolarHBondContact O-N 3.39Å; I84-K107 HydrophobicContact CG2-CB 3.94Å; I84-K107 HydrophobicContact CG2-CD 3.96Å; I84-K107 HydrophobicContact CG2-CG 3.87Å; I84-K107 WeakPolarHBondContact O-CD 3.49Å; I84-K107 VanDerWaalsContact O-CE 3.23Å; I84-K107 WeakPolarHBondContact O-CE 3.45Å; I84-K107 PolarHBondContact O-NZ 2.86Å; I84-L108 HydrophobicContact CD1-CD2 3.46Å; I84-L108 VanDerWaalsContact CD1-CD2 3.46Å; I84-L108 HydrophobicContact CD1-CG 4.1Å; I84-L108 HydrophobicContact CG1-CD2 4.21Å; I84-L111 HydrophobicContact CB-CD1 4.31Å; I84-L111 HydrophobicContact CG1-CD1 4.07Å; I84-L111 HydrophobicContact CG2-CD1 3.82Å |
| 85 | C | 91.7 | Very high | 85.2 | Confident | 26 Ų | 26 | 96.9 Ų | 96.9 | 18% | 0.176 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -13.4 | -177.1 | -65.2 | 0 | 0 | 0 | 0 | 113.9 | C82 L87 H98 | C82-C85 HydrophobicContact CB-CB 4.48Å; C82-C85 PolarHBondContact O-N 3.38Å; C82-C85 PolarHBondContact SG-N 2.85Å; C85-L87 HydrophobicContact CB-CD1 4.17Å; C85-L87 VanDerWaalsContact O-CD1 3.3Å; C85-L87 WeakPolarHBondContact O-CD1 3.02Å; C85-L87 PolarHBondContact O-N 3.07Å; C85-H98 WeakPolarHBondContact CB-NE2 3.11Å; C85-H98 VanDerWaalsContact SG-CE1 3.51Å; C85-H98 PolarHBondContact SG-NE2 3.38Å; C85-H98 VanDerWaalsContact SG-NE2 3.43Å |
| 86 | Q | 92 | Very high | 87.2 | Confident | 174 Ų | 174 | 89.3 Ų | 89.3 | 81% | 0.813 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 27.8 | -173.7 | -59.5 | -176.7 | 1 | 0 | 0 | 114.2 | C82 | C82-Q86 VanDerWaalsContact O-CA 3.25Å; C82-Q86 WeakPolarHBondContact O-CA 3.38Å; C82-Q86 PolarHBondContact O-N 2.87Å |
| 87 | L | 92.4 | Very high | 89.1 | Confident | 82 Ų | 82 | 81.1 Ų | 81.1 | 43% | 0.429 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 143.5 | 172.2 | -90 | 61.8 | 0 | 0 | 0 | 110.5 | S81 C82 C85 F89 | S81-L87 CarbonylContact C-O 3.56Å; S81-L87 VanDerWaalsContact CA-O 3.28Å; S81-L87 WeakPolarHBondContact CA-O 3.5Å; C82-L87 PolarHBondContact N-O 3.24Å; C85-L87 HydrophobicContact CB-CD1 4.17Å; C85-L87 VanDerWaalsContact O-CD1 3.3Å; C85-L87 WeakPolarHBondContact O-CD1 3.02Å; C85-L87 PolarHBondContact O-N 3.07Å; L87-F89 HydrophobicContact CB-CE1 4.15Å; L87-F89 HydrophobicContact CB-CE2 3.93Å; L87-F89 HydrophobicContact CB-CZ 3.49Å; L87-F89 VanDerWaalsContact CB-CZ 3.49Å; L87-F89 HydrophobicContact CD2-CE1 4.1Å; L87-F89 HydrophobicContact CD2-CZ 3.87Å; L87-F89 HydrophobicContact CG-CZ 4.32Å |
| 88 | R | 93.8 | Very high | 90.7 | Very high | 184 Ų | 184 | 76 Ų | 76 | 69% | 0.694 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 135.3 | 171.4 | -62.4 | -154 | 138 | -177.5 | -5.7 | 110 | I79 | I79-R88 HydrophobicContact CG2-CB 3.84Å; I79-R88 HydrophobicContact CG2-CG 4.43Å |
| 89 | F | 93.2 | Very high | 92.1 | Very high | 21 Ų | 21 | 72.4 Ų | 72.4 | 9% | 0.092 | 39% | 0.385 | C | S | . | . | trans | -113.8 | 144.8 | -175 | -57.8 | -72.9 | 0 | 0 | 0 | 111.4 | I80 C82 L87 Q94 A95 H98 | I80-F89 WeakPolarHBondContact O-CD2 3.49Å; I80-F89 PolarHBondContact O-N 2.97Å; C82-F89 HydrophobicContact CB-CE2 4.05Å; L87-F89 HydrophobicContact CB-CE1 4.15Å; L87-F89 HydrophobicContact CB-CE2 3.93Å; L87-F89 HydrophobicContact CB-CZ 3.49Å; L87-F89 VanDerWaalsContact CB-CZ 3.49Å; L87-F89 HydrophobicContact CD2-CE1 4.1Å; L87-F89 HydrophobicContact CD2-CZ 3.87Å; L87-F89 HydrophobicContact CG-CZ 4.32Å; F89-Q94 HydrophobicContact CB-CB 4.21Å; F89-Q94 HydrophobicContact CD1-CB 3.87Å; F89-Q94 HydrophobicContact CG-CB 4.33Å; F89-A95 HydrophobicContact CB-CB 4.08Å; F89-A95 HydrophobicContact CD2-CB 3.66Å; F89-A95 HydrophobicContact CE2-CB 4.42Å; F89-A95 HydrophobicContact CG-CB 3.99Å; F89-H98 HydrophobicContact CE1-CB 3.91Å; F89-H98 HydrophobicContact CE2-CB 3.95Å; F89-H98 AromaticContact CE2-CD2 3.82Å; F89-H98 AromaticContact CE2-CG 3.85Å; F89-H98 HydrophobicContact CZ-CB 3.41Å; F89-H98 VanDerWaalsContact CZ-CB 3.41Å; F89-H98 AromaticContact CZ-CD2 3.69Å; F89-H98 AromaticContact CZ-CG 3.29Å; F89-H98 AromaticContact CZ-ND1 3.69Å | ||
| 90 | N | 89.8 | Confident | 93 | Very high | 97 Ų | 97 | 76.9 Ų | 76.9 | 52% | 0.519 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -96.9 | 4.4 | -178.7 | -163.6 | 6.1 | 0 | 0 | 0 | 112.3 | K77 | K77-N90 WeakPolarHBondContact CD-OD1 3.16Š|
| 91 | S | 90.3 | Very high | 93.4 | Very high | 48 Ų | 48 | 75.9 Ų | 75.9 | 34% | 0.336 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -158.7 | 142.9 | 179.8 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | S93 Q94 A95 | S91-S93 VanDerWaalsContact C-N 3.32Å; S91-S93 PolarHBondContact O-N 3.34Å; S91-S93 PolarHBondContact OG-OG 2.89Å; S91-Q94 PolarHBondContact O-N 3.11Å; S91-A95 PolarHBondContact O-N 3.14Å |
| 92 | D | 93 | Very high | 93.5 | Very high | 104 Ų | 104 | 79.5 Ų | 79.5 | 56% | 0.556 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -56.9 | -43.9 | 177.2 | -176.7 | -87.9 | 0 | 0 | 0 | 112.2 | I80 Q94 A95 A96 | I80-D92 HydrophobicContact CD1-CB 3.85Å; I80-D92 VanDerWaalsContact CD1-OD2 3.24Å; I80-D92 WeakPolarHBondContact CD1-OD2 3.44Å; D92-Q94 PolarHBondContact O-N 2.9Å; D92-Q94 VanDerWaalsContact O-N 3.11Å; D92-A95 CarbonylContact O-C 3.6Å; D92-A95 WeakPolarHBondContact O-CA 3.35Å; D92-A95 WeakPolarHBondContact O-CB 3.26Å; D92-A95 PolarHBondContact O-N 2.87Å; D92-A96 PolarHBondContact O-N 3.24Å |
| 93 | S | 93.5 | Very high | 93.5 | Very high | 77 Ų | 77 | 88 Ų | 88 | 54% | 0.538 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -56.9 | -32.1 | 178.5 | 60.4 | 0 | 0 | 0 | 0 | 113.7 | S91 A97 | S91-S93 VanDerWaalsContact C-N 3.32Å; S91-S93 PolarHBondContact O-N 3.34Å; S91-S93 PolarHBondContact OG-OG 2.89Å; S93-A97 VanDerWaalsContact O-CB 3.24Å; S93-A97 WeakPolarHBondContact O-CB 3.23Å; S93-A97 PolarHBondContact O-N 3.03Å |
| 94 | Q | 92.8 | Very high | 93.6 | Very high | 100 Ų | 100 | 81.8 Ų | 81.8 | 47% | 0.467 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -74.8 | -35.6 | 175.3 | -62.6 | 174 | 24 | 0 | 0 | 111.8 | F89 S91 D92 H98 | F89-Q94 HydrophobicContact CB-CB 4.21Å; F89-Q94 HydrophobicContact CD1-CB 3.87Å; F89-Q94 HydrophobicContact CG-CB 4.33Å; S91-Q94 PolarHBondContact O-N 3.11Å; D92-Q94 PolarHBondContact O-N 2.9Å; D92-Q94 VanDerWaalsContact O-N 3.11Å; Q94-H98 VanDerWaalsContact O-CB 3.32Å; Q94-H98 WeakPolarHBondContact O-CB 3.38Å; Q94-H98 PolarHBondContact O-N 3.47Å |
| 95 | A | 94.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 81.6 Ų | 81.6 | 1% | 0.008 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -69.4 | -46.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I80 F89 S91 D92 A97 H98 Y99 | I80-A95 HydrophobicContact CB-CB 3.97Å; I80-A95 HydrophobicContact CD1-CB 4.49Å; I80-A95 HydrophobicContact CG2-CB 3.48Å; I80-A95 VanDerWaalsContact CG2-CB 3.48Å; F89-A95 HydrophobicContact CB-CB 4.08Å; F89-A95 HydrophobicContact CD2-CB 3.66Å; F89-A95 HydrophobicContact CE2-CB 4.42Å; F89-A95 HydrophobicContact CG-CB 3.99Å; S91-A95 PolarHBondContact O-N 3.14Å; D92-A95 CarbonylContact O-C 3.6Å; D92-A95 WeakPolarHBondContact O-CA 3.35Å; D92-A95 WeakPolarHBondContact O-CB 3.26Å; D92-A95 PolarHBondContact O-N 2.87Å; A95-A97 PolarHBondContact O-N 3.46Å; A95-H98 WeakPolarHBondContact O-CA 3.2Å; A95-H98 WeakPolarHBondContact O-CB 3.44Å; A95-H98 PolarHBondContact O-N 3.31Å; A95-H98 VanDerWaalsContact O-N 3.09Å; A95-Y99 HydrophobicContact CB-CD2 4.37Å; A95-Y99 HydrophobicContact CB-CE2 3.96Å; A95-Y99 WeakPolarHBondContact O-CD2 2.81Å; A95-Y99 PolarHBondContact O-N 3.01Å |
| 96 | A | 93.7 | Very high | 93.9 | Very high | 50 Ų | 50 | 88.3 Ų | 88.3 | 41% | 0.413 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.1 | -47.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | D92 H98 Y99 K100 | D92-A96 PolarHBondContact O-N 3.24Å; A96-H98 VanDerWaalsContact C-N 3.28Å; A96-H98 PolarHBondContact O-N 3.37Å; A96-Y99 PolarHBondContact O-N 3.08Å; A96-K100 PolarHBondContact O-N 3.2Å |
| 97 | A | 95.1 | Very high | 94 | Very high | 68 Ų | 68 | 84.6 Ų | 84.6 | 56% | 0.562 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.2 | -32.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S93 A95 G101 | S93-A97 VanDerWaalsContact O-CB 3.24Å; S93-A97 WeakPolarHBondContact O-CB 3.23Å; S93-A97 PolarHBondContact O-N 3.03Å; A95-A97 PolarHBondContact O-N 3.46Å; A97-G101 PolarHBondContact O-N 3.43Å |
| 98 | H | 96.3 | Very high | 94.1 | Very high | 28 Ų | 28 | 83.3 Ų | 83.3 | 13% | 0.13 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -69 | -49.2 | 173 | 174.2 | 80.2 | 0 | 0 | 0 | 112.4 | C82 C85 F89 Q94 A95 A96 K100 G101 H104 | C82-H98 PolarHBondContact SG-NE2 3.05Å; C85-H98 WeakPolarHBondContact CB-NE2 3.11Å; C85-H98 VanDerWaalsContact SG-CE1 3.51Å; C85-H98 PolarHBondContact SG-NE2 3.38Å; C85-H98 VanDerWaalsContact SG-NE2 3.43Å; F89-H98 HydrophobicContact CE1-CB 3.91Å; F89-H98 HydrophobicContact CE2-CB 3.95Å; F89-H98 AromaticContact CE2-CD2 3.82Å; F89-H98 AromaticContact CE2-CG 3.85Å; F89-H98 HydrophobicContact CZ-CB 3.41Å; F89-H98 VanDerWaalsContact CZ-CB 3.41Å; F89-H98 AromaticContact CZ-CD2 3.69Å; F89-H98 AromaticContact CZ-CG 3.29Å; F89-H98 AromaticContact CZ-ND1 3.69Å; Q94-H98 VanDerWaalsContact O-CB 3.32Å; Q94-H98 WeakPolarHBondContact O-CB 3.38Å; Q94-H98 PolarHBondContact O-N 3.47Å; A95-H98 WeakPolarHBondContact O-CA 3.2Å; A95-H98 WeakPolarHBondContact O-CB 3.44Å; A95-H98 PolarHBondContact O-N 3.31Å; A95-H98 VanDerWaalsContact O-N 3.09Å; A96-H98 VanDerWaalsContact C-N 3.28Å; A96-H98 PolarHBondContact O-N 3.37Å; H98-K100 PolarHBondContact O-N 3.31Å; H98-G101 WeakPolarHBondContact O-CA 3.43Å; H98-G101 PolarHBondContact O-N 3.29Å; H98-H104 AromaticContact CD2-ND1 3.83Å; H98-H104 AromaticContact NE2-CG 3.96Å; H98-H104 AromaticContact NE2-ND1 3.31Å; H98-H104 PolarHBondContact NE2-ND1 3.33Å; H98-H104 WeakPolarHBondContact O-CB 3.05Å |
| 99 | Y | 96.1 | Very high | 94.1 | Very high | 93 Ų | 93 | 81.9 Ų | 81.9 | 37% | 0.365 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | -178.4 | -66.9 | -54.3 | 0 | 0 | 0 | 112.1 | I80 S81 C82 A95 A96 G101 H104 | I80-Y99 HydrophobicContact CG2-CE2 4.2Å; S81-Y99 PolarHBondContact O-OH 2.86Å; C82-Y99 WeakPolarHBondContact CA-OH 3.48Å; C82-Y99 HydrophobicContact CB-CE1 3.59Å; A95-Y99 HydrophobicContact CB-CD2 4.37Å; A95-Y99 HydrophobicContact CB-CE2 3.96Å; A95-Y99 WeakPolarHBondContact O-CD2 2.81Å; A95-Y99 PolarHBondContact O-N 3.01Å; A96-Y99 PolarHBondContact O-N 3.08Å; Y99-G101 PolarHBondContact O-N 3.39Å; Y99-H104 AromaticContact CD1-CE1 3.72Å; Y99-H104 AromaticContact CD1-NE2 3.69Å; Y99-H104 PolarHBondContact O-CD2 3.09Å |
| 100 | K | 95 | Very high | 94.1 | Very high | 197 Ų | 197 | 83.9 Ų | 83.9 | 86% | 0.857 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -5.2 | 173.1 | -158.7 | 169.3 | -176.2 | 175.7 | 0 | 113.4 | A96 H98 | A96-K100 PolarHBondContact O-N 3.2Å; H98-K100 PolarHBondContact O-N 3.31Å |
| 101 | G | 95.1 | Very high | 94.2 | Very high | 22 Ų | 22 | 82.6 Ų | 82.6 | 23% | 0.227 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -78.4 | 139.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A97 H98 Y99 K103 H104 A105 | A97-G101 PolarHBondContact O-N 3.43Å; H98-G101 WeakPolarHBondContact O-CA 3.43Å; H98-G101 PolarHBondContact O-N 3.29Å; Y99-G101 PolarHBondContact O-N 3.39Å; G101-K103 PolarHBondContact O-N 3.34Å; G101-K103 VanDerWaalsContact O-N 3.11Å; G101-H104 WeakPolarHBondContact O-CA 3.44Å; G101-H104 WeakPolarHBondContact O-CB 3.3Å; G101-H104 PolarHBondContact O-N 2.74Å; G101-A105 PolarHBondContact O-N 3.49Å; G101-A105 VanDerWaalsContact O-N 3.07Å |
| 102 | T | 95.5 | Very high | 94.3 | Very high | 111 Ų | 111 | 85.4 Ų | 85.4 | 68% | 0.681 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -56.3 | -31.3 | -179.7 | 58.4 | 0 | 0 | 0 | 0 | 114 | H104 K106 | T102-H104 VanDerWaalsContact C-N 3.34Å; T102-K106 WeakPolarHBondContact O-CG 3.44Å; T102-K106 PolarHBondContact O-N 3.38Å |
| 103 | K | 93.5 | Very high | 94.2 | Very high | 181 Ų | 181 | 83.5 Ų | 83.5 | 79% | 0.787 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64 | -36.6 | 173.9 | -66.9 | 178.9 | -175.2 | -75.8 | 0 | 112.5 | G101 | G101-K103 PolarHBondContact O-N 3.34Å; G101-K103 VanDerWaalsContact O-N 3.11Å |
| 104 | H | 96.4 | Very high | 93.7 | Very high | 7 Ų | 7 | 85.7 Ų | 85.7 | 3% | 0.032 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -75.3 | -48.7 | 176.7 | -177 | 79.1 | 0 | 0 | 0 | 110.6 | C82 H98 Y99 G101 T102 K106 K107 L108 | C82-H104 PolarHBondContact SG-CE1 3.35Å; C82-H104 PolarHBondContact SG-ND1 3.4Å; C82-H104 VanDerWaalsContact SG-ND1 3.39Å; H98-H104 AromaticContact CD2-ND1 3.83Å; H98-H104 AromaticContact NE2-CG 3.96Å; H98-H104 AromaticContact NE2-ND1 3.31Å; H98-H104 PolarHBondContact NE2-ND1 3.33Å; H98-H104 WeakPolarHBondContact O-CB 3.05Å; Y99-H104 AromaticContact CD1-CE1 3.72Å; Y99-H104 AromaticContact CD1-NE2 3.69Å; Y99-H104 PolarHBondContact O-CD2 3.09Å; G101-H104 WeakPolarHBondContact O-CA 3.44Å; G101-H104 WeakPolarHBondContact O-CB 3.3Å; G101-H104 PolarHBondContact O-N 2.74Å; T102-H104 VanDerWaalsContact C-N 3.34Å; H104-K106 VanDerWaalsContact C-N 3.31Å; H104-K106 PolarHBondContact O-N 3.08Å; H104-K107 WeakPolarHBondContact O-CA 3.42Å; H104-K107 PolarHBondContact O-N 3.29Å; H104-L108 WeakPolarHBondContact NE2-CD1 3.5Å; H104-L108 PolarHBondContact O-N 2.85Å |
| 105 | A | 95 | Very high | 93.3 | Very high | 43 Ų | 43 | 88.4 Ų | 88.4 | 36% | 0.355 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -56 | -40 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | G101 K107 K109 | G101-A105 PolarHBondContact O-N 3.49Å; G101-A105 VanDerWaalsContact O-N 3.07Å; A105-K107 VanDerWaalsContact C-N 3.33Å; A105-K107 PolarHBondContact O-N 2.74Å; A105-K109 PolarHBondContact O-N 3.48Å |
| 106 | K | 95.2 | Very high | 92.2 | Very high | 167 Ų | 167 | 94.2 Ų | 94.2 | 73% | 0.726 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.6 | -34.3 | 173.5 | -75.3 | -173.8 | 177.6 | -169.2 | 0 | 113 | T102 H104 A110 | T102-K106 WeakPolarHBondContact O-CG 3.44Å; T102-K106 PolarHBondContact O-N 3.38Å; H104-K106 VanDerWaalsContact C-N 3.31Å; H104-K106 PolarHBondContact O-N 3.08Å; K106-A110 PolarHBondContact O-N 3.44Å |
| 107 | K | 94.4 | Very high | 90.9 | Very high | 96 Ų | 96 | 100.2 Ų | 100.2 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -79.5 | -31.8 | 179.2 | -158.4 | 177.5 | -175.9 | -166.5 | 0 | 112.6 | I84 H104 A105 L111 | I84-K107 HydrophobicContact CG2-CB 3.94Å; I84-K107 HydrophobicContact CG2-CD 3.96Å; I84-K107 HydrophobicContact CG2-CG 3.87Å; I84-K107 WeakPolarHBondContact O-CD 3.49Å; I84-K107 VanDerWaalsContact O-CE 3.23Å; I84-K107 WeakPolarHBondContact O-CE 3.45Å; I84-K107 PolarHBondContact O-NZ 2.86Å; H104-K107 WeakPolarHBondContact O-CA 3.42Å; H104-K107 PolarHBondContact O-N 3.29Å; A105-K107 VanDerWaalsContact C-N 3.33Å; A105-K107 PolarHBondContact O-N 2.74Å; K107-L111 WeakPolarHBondContact O-CG 3.32Å; K107-L111 PolarHBondContact O-N 3.03Å |
| 108 | L | 94.2 | Very high | 89.3 | Confident | 54 Ų | 54 | 104.2 Ų | 104.2 | 28% | 0.283 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57 | -60.1 | 168.2 | -89.4 | 171 | 0 | 0 | 0 | 111.1 | I84 H104 A110 L111 E112 | I84-L108 HydrophobicContact CD1-CD2 3.46Å; I84-L108 VanDerWaalsContact CD1-CD2 3.46Å; I84-L108 HydrophobicContact CD1-CG 4.1Å; I84-L108 HydrophobicContact CG1-CD2 4.21Å; H104-L108 WeakPolarHBondContact NE2-CD1 3.5Å; H104-L108 PolarHBondContact O-N 2.85Å; L108-A110 PolarHBondContact O-N 2.94Å; L108-A110 VanDerWaalsContact O-N 3.14Å; L108-L111 WeakPolarHBondContact O-CA 3.22Å; L108-L111 PolarHBondContact O-N 2.97Å; L108-E112 WeakPolarHBondContact O-CG 3.3Å; L108-E112 PolarHBondContact O-N 3.07Å |
| 109 | K | 94.2 | Very high | 87.5 | Confident | 155 Ų | 155 | 109.7 Ų | 109.7 | 67% | 0.674 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -55.4 | -36.7 | -177.7 | -68.4 | -172 | 176.2 | -164.7 | 0 | 113.5 | A105 E112 A113 | A105-K109 PolarHBondContact O-N 3.48Å; K109-E112 WeakPolarHBondContact CA-OE2 3.38Å; K109-A113 WeakPolarHBondContact O-CB 3.4Å; K109-A113 PolarHBondContact O-N 2.72Å; K109-A113 VanDerWaalsContact O-N 3.07Å |
| 110 | A | 93.6 | Very high | 85.4 | Confident | 63 Ų | 63 | 109.7 Ų | 109.7 | 52% | 0.521 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.7 | -37.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K106 L108 M114 | K106-A110 PolarHBondContact O-N 3.44Å; L108-A110 PolarHBondContact O-N 2.94Å; L108-A110 VanDerWaalsContact O-N 3.14Å; A110-M114 PolarHBondContact O-N 3.2Å |
| 111 | L | 91.3 | Very high | 83.4 | Confident | 70 Ų | 70 | 106.2 Ų | 106.2 | 37% | 0.366 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -75 | -35.6 | 176.2 | -70.7 | 174.4 | 0 | 0 | 0 | 112.2 | I84 K107 L108 M114 K115 | I84-L111 HydrophobicContact CB-CD1 4.31Å; I84-L111 HydrophobicContact CG1-CD1 4.07Å; I84-L111 HydrophobicContact CG2-CD1 3.82Å; K107-L111 WeakPolarHBondContact O-CG 3.32Å; K107-L111 PolarHBondContact O-N 3.03Å; L108-L111 WeakPolarHBondContact O-CA 3.22Å; L108-L111 PolarHBondContact O-N 2.97Å; L111-M114 HydrophobicContact CD2-CE 4.15Å; L111-M114 PolarHBondContact O-N 3.34Å; L111-K115 WeakPolarHBondContact O-CB 3.24Å; L111-K115 PolarHBondContact O-N 3.44Å |
| 112 | E | 92.1 | Very high | 81.2 | Confident | 107 Ų | 107 | 110.1 Ų | 110.1 | 50% | 0.5 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.4 | -47.4 | 174.9 | -70.9 | 159.8 | 172.6 | 0 | 0 | 110.9 | L108 K109 M114 K115 N116 | L108-E112 WeakPolarHBondContact O-CG 3.3Å; L108-E112 PolarHBondContact O-N 3.07Å; K109-E112 WeakPolarHBondContact CA-OE2 3.38Å; E112-M114 VanDerWaalsContact C-N 3.3Å; E112-M114 PolarHBondContact O-N 2.9Å; E112-K115 PolarHBondContact O-N 3.14Å; E112-N116 PolarHBondContact O-N 3.23Å |
| 113 | A | 90 | Very high | 78.8 | Confident | 64 Ų | 64 | 109 Ų | 109 | 53% | 0.529 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.8 | -37.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | K109 | K109-A113 WeakPolarHBondContact O-CB 3.4Å; K109-A113 PolarHBondContact O-N 2.72Å; K109-A113 VanDerWaalsContact O-N 3.07Å |
| 114 | M | 83.6 | Confident | 76.5 | Confident | 122 Ų | 122 | 110 Ų | 110 | 60% | 0.601 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -71.9 | -41.5 | 176.4 | -167 | 174.9 | 76.2 | 0 | 0 | 112.2 | A110 L111 E112 N116 K117 | A110-M114 PolarHBondContact O-N 3.2Å; L111-M114 HydrophobicContact CD2-CE 4.15Å; L111-M114 PolarHBondContact O-N 3.34Å; E112-M114 VanDerWaalsContact C-N 3.3Å; E112-M114 PolarHBondContact O-N 2.9Å; M114-N116 VanDerWaalsContact C-N 3.31Å; M114-N116 PolarHBondContact O-N 3.41Å; M114-K117 PolarHBondContact O-N 3.3Å |
| 115 | K | 83.7 | Confident | 74.2 | Confident | 158 Ų | 158 | 117 Ų | 117 | 69% | 0.687 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.8 | -36 | 178.5 | -172.8 | -179.5 | 178.6 | -173.4 | 0 | 111.9 | L111 E112 K117 Q118 K119 | L111-K115 WeakPolarHBondContact O-CB 3.24Å; L111-K115 PolarHBondContact O-N 3.44Å; E112-K115 PolarHBondContact O-N 3.14Å; K115-K117 VanDerWaalsContact C-N 3.33Å; K115-K117 PolarHBondContact O-N 3.31Å; K115-Q118 PolarHBondContact O-N 2.82Å; K115-Q118 VanDerWaalsContact O-N 3.15Å; K115-K119 PolarHBondContact O-N 3.4Å |
| 116 | N | 71.5 | Confident | 71.8 | Confident | 123 Ų | 123 | 120 Ų | 120 | 66% | 0.658 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -59.1 | -42.8 | -178.9 | -161.3 | 23.6 | 0 | 0 | 0 | 112.1 | E112 M114 Q118 K119 | E112-N116 PolarHBondContact O-N 3.23Å; M114-N116 VanDerWaalsContact C-N 3.31Å; M114-N116 PolarHBondContact O-N 3.41Å; N116-Q118 PolarHBondContact O-N 3.46Å; N116-K119 PolarHBondContact O-N 2.99Å; N116-K119 VanDerWaalsContact O-N 3.14Å |
| 117 | K | 67.5 | Low | 69.4 | Low | 175 Ų | 175 | 116.7 Ų | 116.7 | 76% | 0.761 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.5 | -18.9 | 178.6 | -71.3 | -163 | 173.7 | -167.5 | 0 | 114.9 | M114 K115 S120 | M114-K117 PolarHBondContact O-N 3.3Å; K115-K117 VanDerWaalsContact C-N 3.33Å; K115-K117 PolarHBondContact O-N 3.31Å; K117-S120 PolarHBondContact O-OG 2.87Å |
| 118 | Q | 60.8 | Low | 67.3 | Low | 152 Ų | 152 | 121.5 Ų | 121.5 | 71% | 0.71 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -93.5 | -11.4 | 176.4 | -69.8 | -173.9 | -45.8 | 0 | 0 | 113.3 | K115 N116 | K115-Q118 PolarHBondContact O-N 2.82Å; K115-Q118 VanDerWaalsContact O-N 3.15Å; N116-Q118 PolarHBondContact O-N 3.46Å |
| 119 | K | 58.1 | Low | 65.1 | Low | 143 Ų | 143 | 125.9 Ų | 125.9 | 62% | 0.622 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -85.6 | -16.5 | 179.4 | -171.2 | 52.4 | 179.3 | 160.3 | 0 | 113.3 | K115 N116 V121 | K115-K119 PolarHBondContact O-N 3.4Å; N116-K119 PolarHBondContact O-N 2.99Å; N116-K119 VanDerWaalsContact O-N 3.14Å; K119-V121 PolarHBondContact O-N 3.39Å |
| 120 | S | 52.2 | Low | 62.6 | Low | 93 Ų | 93 | 124.1 Ų | 124.1 | 65% | 0.65 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -1 | -176.7 | 60.2 | 0 | 0 | 0 | 0 | 115.8 | K117 | K117-S120 PolarHBondContact O-OG 2.87Š|
| 121 | V | 53.9 | Low | 60.4 | Low | 125 Ų | 125 | 130.7 Ų | 130.7 | 76% | 0.758 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | -4.1 | -177.7 | -175.9 | 0 | 0 | 0 | 0 | 112.4 | K119 | K119-V121 PolarHBondContact O-N 3.39Š|
| 122 | T | 48.5 | Very low | 58.2 | Low | 103 Ų | 103 | 132.9 Ų | 132.9 | 63% | 0.632 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -125.5 | 65.6 | 179.5 | 41.8 | 0 | 0 | 0 | 0 | 111.1 | ||
| 123 | A | 45.9 | Very low | 55.8 | Low | 89 Ų | 89 | 132.6 Ų | 132.6 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | trans | -146.6 | 34.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 124 | K | 43.9 | Very low | 53.9 | Low | 202 Ų | 202 | 136.9 Ų | 136.9 | 88% | 0.878 | 74% | 0.744 | S | S | * | * | trans | -154.7 | 70.7 | 171.8 | -165.8 | -174.7 | 178.3 | -178.8 | 0 | 112.6 | ||||
| 125 | D | 47.9 | Very low | 52.2 | Low | 152 Ų | 152 | 136.3 Ų | 136.3 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -159.1 | 158.5 | 149.9 | -140.6 | -63 | 0 | 0 | 0 | 112 | ||
| 126 | S | 45.3 | Very low | 50.2 | Low | 106 Ų | 106 | 134.1 Ų | 134.1 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | trans | 52.5 | 88.5 | 162.3 | -64.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 127 | A | 45.9 | Very low | 49.1 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -70.4 | 171.8 | 150.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 128 | K | 49.6 | Very low | 47.7 | Very low | 196 Ų | 196 | 132.4 Ų | 132.4 | 85% | 0.852 | 75% | 0.75 | S | S | * | * | trans | 73.7 | 87.5 | 171.9 | -164.9 | -177.9 | -178.3 | 179.3 | 0 | 116.5 | ||||
| 129 | T | 47.7 | Very low | 47.4 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 90% | 0.896 | 76% | 0.756 | S | S | * | * | trans | -155.8 | 121.5 | 137.2 | -0.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 130 | T | 41.4 | Very low | 46.6 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | trans | -111.2 | 120.4 | -176.8 | -61 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 131 | F | 48.2 | Very low | 46.2 | Very low | 202 Ų | 202 | 134.4 Ų | 134.4 | 89% | 0.886 | 77% | 0.769 | S | S | * | * | trans | -152.5 | 82.8 | 161.2 | -96.2 | -67.4 | 0 | 0 | 0 | 112.9 | ||||
| 132 | T | 45.5 | Very low | 45.7 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | 46.7 | 114 | 123.9 | -46.8 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 133 | S | 41.1 | Very low | 45.5 | Very low | 101 Ų | 101 | 133 Ų | 133 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | 71 | 153.7 | 154 | -129.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 134 | I | 50.5 | Low | 45.4 | Very low | 155 Ų | 155 | 134 Ų | 134 | 80% | 0.795 | 76% | 0.762 | S | S | * | * | cis | -137.6 | 124.1 | 30.2 | -69.9 | 175.7 | 0 | 0 | 0 | 113.6 | ||||
| 135 | T | 48 | Very low | 45.6 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | trans | 46.8 | 107 | 134.2 | -46.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 136 | T | 41.4 | Very low | 45.5 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 69% | 0.693 | 76% | 0.755 | S | S | * | * | trans | 60.6 | 116.2 | 130.2 | -51.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 137 | N | 47.5 | Very low | 45.1 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | -154.6 | 137.7 | 110.2 | -127.5 | -18 | 0 | 0 | 0 | 112.7 | |||||
| 138 | T | 39.6 | Very low | 45.2 | Very low | 101 Ų | 101 | 133 Ų | 133 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | trans | -122.2 | 136.2 | -172.3 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | N140 | T138-N140 WeakPolarHBondContact CG2-OD1 3.42Š| ||
| 139 | I | 53.7 | Low | 44.7 | Very low | 163 Ų | 163 | 130.1 Ų | 130.1 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | trans | -135.1 | 110.4 | 163.1 | -55.4 | 180 | 0 | 0 | 0 | 107.9 | ||||
| 140 | N | 41.5 | Very low | 44.3 | Very low | 142 Ų | 142 | 127.9 Ų | 127.9 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | -104.6 | 139.5 | 174.1 | -75.1 | 10.3 | 0 | 0 | 0 | 110.1 | T138 | T138-N140 WeakPolarHBondContact CG2-OD1 3.42Š| ||
| 141 | T | 43.1 | Very low | 44.3 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | -146.9 | 120.5 | 160.5 | 42.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 142 | S | 44.5 | Very low | 43.9 | Very low | 98 Ų | 98 | 122.6 Ų | 122.6 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | trans | 34.4 | 112.2 | 143.5 | 54.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 143 | S | 43.7 | Very low | 43.6 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | 72 | 148.7 | 78.8 | 82.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 144 | D | 43.3 | Very low | 43.1 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 59% | 0.588 | 76% | 0.758 | S | S | * | * | cis | -150.7 | 165.4 | 25.6 | -100.3 | -83 | 0 | 0 | 0 | 112.2 | ||||
| 145 | K | 47.8 | Very low | 42.7 | Very low | 170 Ų | 170 | 122.5 Ų | 122.5 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | trans | 39.6 | 149.7 | 140.7 | -61.4 | -176.9 | -175 | 78.6 | 0 | 121.7 | ||||
| 146 | T | 46.6 | Very low | 42.2 | Very low | 132 Ų | 132 | 123 Ų | 123 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | cis | -164.2 | 175.2 | -4 | 16.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 147 | D | 36.8 | Very low | 42.4 | Very low | 159 Ų | 159 | 123.5 Ų | 123.5 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | -54.2 | 161.2 | 175.1 | -87.7 | -78.3 | 0 | 0 | 0 | 117.9 | ||||
| 148 | G | 47.9 | Very low | 42 | Very low | 77 Ų | 77 | 122.3 Ų | 122.3 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -166.7 | 94 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 149 | T | 38.1 | Very low | 42.4 | Very low | 135 Ų | 135 | 123.9 Ų | 123.9 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | trans | -106.2 | 132.4 | 178.4 | -73.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 150 | A | 40.8 | Very low | 41.6 | Very low | 98 Ų | 98 | 122.8 Ų | 122.8 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | 173.8 | 132.4 | 141.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 151 | G | 39.8 | Very low | 42 | Very low | 74 Ų | 74 | 122.5 Ų | 122.5 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | 71.4 | 160.1 | 149.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 152 | T | 41 | Very low | 41.6 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | cis | -157.1 | 144.1 | -19.3 | -54 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 153 | P | 38.1 | Very low | 41.5 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -99.5 | 167.3 | -167.9 | 38.1 | -37.1 | 0 | 0 | 0 | 116.6 | ||||
| 154 | A | 32.3 | Very low | 41.5 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | 65.4 | 119 | 152.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 155 | I | 41.4 | Very low | 41.1 | Very low | 161 Ų | 161 | 138.7 Ų | 138.7 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -133.6 | 133.7 | 147.2 | -61.6 | -179.6 | 0 | 0 | 0 | 107.6 | ||||
| 156 | S | 37.4 | Very low | 40.8 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -114.6 | 133.7 | 171.6 | -66.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 157 | T | 45.3 | Very low | 40.2 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 76% | 0.761 | 82% | 0.818 | S | S | * | * | trans | -134.6 | 115.7 | 174.2 | -42.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 158 | T | 39.4 | Very low | 40.5 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | -97.5 | 132.1 | 173.9 | 46.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 159 | T | 47.2 | Very low | 40.3 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -134.9 | 116.5 | 164 | 42.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 160 | T | 38.4 | Very low | 40.5 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | trans | -96.9 | 136.1 | 174.6 | 40.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 161 | V | 48.7 | Very low | 40.6 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -141 | 108.5 | 164.3 | -175.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 162 | E | 35.7 | Very low | 40.6 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -88.5 | 154.4 | 152.8 | -70.1 | -157.3 | 129.2 | 0 | 0 | 109.2 | ||||
| 163 | I | 42.8 | Very low | 41 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -162.3 | 111.2 | 143.4 | -103.3 | 147.2 | 0 | 0 | 0 | 111.6 | ||||
| 164 | R | 42.9 | Very low | 41 | Very low | 241 Ų | 241 | 142.4 Ų | 142.4 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | 54.1 | 153.4 | 141.5 | -59.1 | -176.3 | 173.2 | 173.3 | -2.2 | 122.7 | ||||
| 165 | K | 33.7 | Very low | 41.8 | Very low | 205 Ų | 205 | 142.2 Ų | 142.2 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | -107 | 154.3 | 179.4 | -52.7 | 168.9 | -179.1 | 173 | 0 | 111.5 | ||||
| 166 | S | 43.1 | Very low | 41.8 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -150.7 | 133.3 | 146 | -68.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 167 | S | 34.5 | Very low | 42.1 | Very low | 113 Ų | 113 | 144 Ų | 144 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | cis | 88 | 97.5 | 20.6 | -162.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 168 | V | 41 | Very low | 41.9 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -145.2 | 152.3 | 158.1 | -174.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 169 | M | 45.6 | Very low | 41.9 | Very low | 164 Ų | 164 | 145.6 Ų | 145.6 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | trans | -94.1 | -162.2 | -176.7 | -63.5 | 172 | 60.6 | 0 | 0 | 110.9 | ||||
| 170 | T | 42.3 | Very low | 41.5 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 64% | 0.644 | 77% | 0.766 | S | S | * | * | cis | -169.1 | 146.8 | 31.7 | -27.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 171 | T | 41.8 | Very low | 41.8 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | 44.3 | 139 | 149.8 | 45.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 172 | E | 41.2 | Very low | 41.2 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | cis | -147.3 | -117.8 | -16.3 | -164.3 | -159.8 | -67.6 | 0 | 0 | 110.5 | T174 | E172-T174 WeakPolarHBondContact OE2-CB 3.28Å; E172-T174 PolarHBondContact OE2-N 3.14Å; E172-T174 PolarHBondContact OE2-OG1 3.35Å | ||
| 173 | I | 48.3 | Very low | 41.2 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | cis | -139.2 | 141.5 | 2.4 | -53.9 | 174.4 | 0 | 0 | 0 | 110.8 | ||||
| 174 | T | 39.2 | Very low | 41.1 | Very low | 101 Ų | 101 | 135.9 Ų | 135.9 | 62% | 0.62 | 75% | 0.751 | S | S | * | * | trans | -67.3 | 141.9 | -178.3 | -67.1 | 0 | 0 | 0 | 0 | 117.4 | E172 | E172-T174 WeakPolarHBondContact OE2-CB 3.28Å; E172-T174 PolarHBondContact OE2-N 3.14Å; E172-T174 PolarHBondContact OE2-OG1 3.35Å | ||
| 175 | S | 47.1 | Very low | 40.8 | Very low | 88 Ų | 88 | 131.2 Ų | 131.2 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | 174 | 122.4 | 121.8 | -80.4 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 176 | K | 43.2 | Very low | 41.1 | Very low | 183 Ų | 183 | 124.6 Ų | 124.6 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | trans | 67.1 | 116.3 | 133.3 | -61.9 | 166 | -168.9 | 176.9 | 0 | 119.3 | ||||
| 177 | V | 42.7 | Very low | 40.8 | Very low | 135 Ų | 135 | 126.7 Ų | 126.7 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | 75.9 | 125.8 | 76.9 | 166.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 178 | E | 41.8 | Very low | 41.2 | Very low | 136 Ų | 136 | 127.3 Ų | 127.3 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | cis | -142.1 | -149.2 | 3.6 | -136.2 | -171.7 | 137.9 | 0 | 0 | 109.6 | ||||
| 179 | K | 39.7 | Very low | 40.8 | Very low | 157 Ų | 157 | 125.8 Ų | 125.8 | 68% | 0.683 | 74% | 0.741 | S | S | * | * | cis | -158.5 | 125.3 | 2.3 | -145.2 | 150.1 | -178.4 | 69.1 | 0 | 107.8 | ||||
| 180 | S | 37.3 | Very low | 40.3 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | 75.1 | 152.3 | 96.2 | -38.4 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 181 | P | 45.2 | Very low | 40.1 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | -140.1 | -142.1 | -117 | 42.9 | -20.2 | 0 | 0 | 0 | 115.7 | |||||
| 182 | T | 35.8 | Very low | 40.1 | Very low | 121 Ų | 121 | 123 Ų | 123 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | 80.9 | 146.5 | 174.3 | -1.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 183 | T | 36.4 | Very low | 40.3 | Very low | 119 Ų | 119 | 123 Ų | 123 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | cis | -156.4 | 157.6 | 16.9 | -40.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 184 | A | 40.9 | Very low | 40.4 | Very low | 87 Ų | 87 | 118.9 Ų | 118.9 | 72% | 0.719 | 73% | 0.73 | S | S | * | * | trans | 65.2 | 158.2 | 153 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 185 | T | 36.7 | Very low | 41.4 | Very low | 142 Ų | 142 | 118.4 Ų | 118.4 | 87% | 0.871 | 73% | 0.727 | S | S | * | * | cis | -167.1 | 152 | -22 | -91.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 186 | G | 40.1 | Very low | 42.3 | Very low | 67 Ų | 67 | 121.1 Ų | 121.1 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | trans | 130.6 | 100.1 | 150.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 187 | N | 36.8 | Very low | 43.5 | Very low | 165 Ų | 165 | 118.7 Ų | 118.7 | 88% | 0.882 | 72% | 0.721 | S | S | * | * | trans | -75.4 | 142.2 | 158.6 | -66.5 | -16.7 | 0 | 0 | 0 | 109.5 | ||||
| 188 | S | 41.7 | Very low | 44.5 | Very low | 126 Ų | 126 | 116.3 Ų | 116.3 | 88% | 0.881 | 70% | 0.701 | S | S | * | * | trans | -158.7 | 122.5 | 147.8 | -86.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 189 | S | 32.6 | Very low | 45.4 | Very low | 111 Ų | 111 | 113.2 Ų | 113.2 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | trans | -74 | 146.2 | 162.8 | 51 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 190 | C | 36.6 | Very low | 46.5 | Very low | 111 Ų | 111 | 108.9 Ų | 108.9 | 75% | 0.75 | 68% | 0.679 | S | S | * | * | trans | -167.5 | 146.6 | 130.9 | -111.3 | 0 | 0 | 0 | 0 | 112.3 | S192 | C190-S192 PolarHBondContact O-N 3.31Š| ||
| 191 | P | 37.6 | Very low | 47.7 | Very low | 128 Ų | 128 | 112.1 Ų | 112.1 | 83% | 0.831 | 68% | 0.682 | S | S | * | * | trans | -87.2 | 87.5 | 178 | 34.3 | -32.5 | 0 | 0 | 0 | 111.2 | ||||
| 192 | S | 41.7 | Very low | 48.7 | Very low | 98 Ų | 98 | 112.1 Ų | 112.1 | 69% | 0.685 | 67% | 0.667 | S | S | * | * | trans | -81.8 | 139.6 | 179.9 | -61 | 0 | 0 | 0 | 0 | 112.7 | C190 E194 | C190-S192 PolarHBondContact O-N 3.31Å; S192-E194 VanDerWaalsContact C-N 3.28Å; S192-E194 PolarHBondContact O-N 3.42Å | ||
| 193 | T | 46.2 | Very low | 50.6 | Low | 140 Ų | 140 | 109.6 Ų | 109.6 | 86% | 0.859 | 65% | 0.648 | S | S | * | * | trans | -74.2 | 72.7 | -178.6 | 52.3 | 0 | 0 | 0 | 0 | 112.3 | T195 | T193-T195 PolarHBondContact O-N 3.4Š| ||
| 194 | E | 49.8 | Very low | 52.9 | Low | 73 Ų | 73 | 106.9 Ų | 106.9 | 34% | 0.341 | 63% | 0.629 | S | S | . | * | trans | -66.9 | 103.8 | 176.1 | -67.4 | -168.1 | 154.9 | 0 | 0 | 111.3 | S192 K199 R202 | S192-E194 VanDerWaalsContact C-N 3.28Å; S192-E194 PolarHBondContact O-N 3.42Å; E194-K199 HydrophobicContact CB-CD 4.43Å; E194-K199 HydrophobicContact CB-CG 4.41Å; E194-K199 PolarHBondContact O-NZ 3.49Å; E194-K199 VanDerWaalsContact OE2-CE 3.23Å; E194-K199 WeakPolarHBondContact OE2-CE 3.5Å; E194-R202 IonicContact OE1-CZ 3.39Å; E194-R202 IonicContact OE1-NH1 2.69Å; E194-R202 PolarHBondContact OE1-NH1 2.75Å; E194-R202 IonicContact OE1-NH2 3.59Å; E194-R202 PolarHBondContact OE1-NH2 3.24Å; E194-R202 IonicContact OE2-NH1 3.99Å | ||
| 195 | T | 60 | Low | 55.3 | Low | 92 Ų | 92 | 109 Ų | 109 | 56% | 0.564 | 62% | 0.619 | S | S | * | * | trans | -52.3 | 137.6 | 173.6 | -40.9 | 0 | 0 | 0 | 0 | 110.9 | T193 E197 E198 K199 | T193-T195 PolarHBondContact O-N 3.4Å; T195-E197 PolarHBondContact O-N 3.44Å; T195-E198 PolarHBondContact O-N 3.33Å; T195-K199 PolarHBondContact O-N 3.35Å | ||
| 196 | E | 66.2 | Low | 57.9 | Low | 145 Ų | 145 | 102.4 Ų | 102.4 | 68% | 0.678 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -50.1 | -33.7 | -179.9 | -77.5 | -70.3 | 100.7 | 0 | 0 | 113.1 | E198 K199 A200 | E196-E198 PolarHBondContact O-N 3.07Å; E196-K199 PolarHBondContact O-N 3.44Å; E196-A200 VanDerWaalsContact O-CB 3.32Å; E196-A200 WeakPolarHBondContact O-CB 3.25Å; E196-A200 PolarHBondContact O-N 2.86Å |
| 197 | E | 66.9 | Low | 60.1 | Low | 132 Ų | 132 | 103.3 Ų | 103.3 | 62% | 0.617 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.9 | -28.5 | 177.9 | -58.2 | -166.6 | 134.5 | 0 | 0 | 114.5 | T195 K201 | T195-E197 PolarHBondContact O-N 3.44Å; E197-K201 VanDerWaalsContact O-CD 3.26Å; E197-K201 WeakPolarHBondContact O-CD 3.37Å; E197-K201 WeakPolarHBondContact O-CE 3.24Å; E197-K201 WeakPolarHBondContact O-CG 3.24Å; E197-K201 PolarHBondContact O-N 3.02Å |
| 198 | E | 65.1 | Low | 62.6 | Low | 85 Ų | 85 | 97.2 Ų | 97.2 | 40% | 0.397 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -80.1 | -40.1 | 174.8 | -160.5 | -173 | 145.6 | 0 | 0 | 111 | T195 E196 A200 K201 R202 | T195-E198 PolarHBondContact O-N 3.33Å; E196-E198 PolarHBondContact O-N 3.07Å; E198-A200 VanDerWaalsContact C-N 3.27Å; E198-A200 PolarHBondContact O-N 2.87Å; E198-K201 CarbonylContact O-C 3.54Å; E198-K201 WeakPolarHBondContact O-CA 3.46Å; E198-K201 WeakPolarHBondContact O-CB 3.43Å; E198-K201 PolarHBondContact O-N 3.36Å; E198-R202 WeakPolarHBondContact O-CG 3.46Å; E198-R202 PolarHBondContact O-N 3.2Å; E198-R202 IonicContact OE1-CZ 3.24Å; E198-R202 VanDerWaalsContact OE1-CZ 3.24Å; E198-R202 IonicContact OE1-NE 2.67Å; E198-R202 PolarHBondContact OE1-NE 3.37Å; E198-R202 VanDerWaalsContact OE1-NE 3.08Å; E198-R202 IonicContact OE1-NH2 3.41Å; E198-R202 PolarHBondContact OE1-NH2 3.42Å |
| 199 | K | 60.8 | Low | 64.9 | Low | 70 Ų | 70 | 93 Ų | 93 | 30% | 0.304 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.4 | -44.2 | 169.3 | -73.4 | 169.5 | 179.3 | 139.2 | 0 | 110.9 | E194 T195 E196 K201 R202 L203 | E194-K199 HydrophobicContact CB-CD 4.43Å; E194-K199 HydrophobicContact CB-CG 4.41Å; E194-K199 PolarHBondContact O-NZ 3.49Å; E194-K199 VanDerWaalsContact OE2-CE 3.23Å; E194-K199 WeakPolarHBondContact OE2-CE 3.5Å; T195-K199 PolarHBondContact O-N 3.35Å; E196-K199 PolarHBondContact O-N 3.44Å; K199-K201 VanDerWaalsContact C-N 3.26Å; K199-K201 PolarHBondContact O-N 2.89Å; K199-R202 CarbonylContact O-C 3.56Å; K199-R202 PolarHBondContact O-N 3.11Å; K199-R202 VanDerWaalsContact O-N 3.14Å; K199-L203 VanDerWaalsContact O-CD1 3.24Å; K199-L203 WeakPolarHBondContact O-CD1 3.24Å; K199-L203 PolarHBondContact O-N 2.83Å |
| 200 | A | 61.3 | Low | 67.6 | Low | 66 Ų | 66 | 95.4 Ų | 95.4 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -29.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E196 E198 | E196-A200 VanDerWaalsContact O-CB 3.32Å; E196-A200 WeakPolarHBondContact O-CB 3.25Å; E196-A200 PolarHBondContact O-N 2.86Å; E198-A200 VanDerWaalsContact C-N 3.27Å; E198-A200 PolarHBondContact O-N 2.87Å |
| 201 | K | 63.6 | Low | 70.1 | Confident | 158 Ų | 158 | 93.3 Ų | 93.3 | 69% | 0.687 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -79.1 | -32.9 | 173.2 | -69 | 159.2 | -163.8 | 163.9 | 0 | 112.6 | E197 E198 K199 L203 | E197-K201 VanDerWaalsContact O-CD 3.26Å; E197-K201 WeakPolarHBondContact O-CD 3.37Å; E197-K201 WeakPolarHBondContact O-CE 3.24Å; E197-K201 WeakPolarHBondContact O-CG 3.24Å; E197-K201 PolarHBondContact O-N 3.02Å; E198-K201 CarbonylContact O-C 3.54Å; E198-K201 WeakPolarHBondContact O-CA 3.46Å; E198-K201 WeakPolarHBondContact O-CB 3.43Å; E198-K201 PolarHBondContact O-N 3.36Å; K199-K201 VanDerWaalsContact C-N 3.26Å; K199-K201 PolarHBondContact O-N 2.89Å; K201-L203 VanDerWaalsContact C-N 3.33Å |
| 202 | R | 66.4 | Low | 72.7 | Confident | 119 Ų | 119 | 89.7 Ų | 89.7 | 45% | 0.449 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -76.7 | -17.1 | 173.5 | -64.9 | -174.2 | -168.9 | 171.4 | 5.9 | 113.1 | E194 E198 K199 L204 | E194-R202 IonicContact OE1-CZ 3.39Å; E194-R202 IonicContact OE1-NH1 2.69Å; E194-R202 PolarHBondContact OE1-NH1 2.75Å; E194-R202 IonicContact OE1-NH2 3.59Å; E194-R202 PolarHBondContact OE1-NH2 3.24Å; E194-R202 IonicContact OE2-NH1 3.99Å; E198-R202 WeakPolarHBondContact O-CG 3.46Å; E198-R202 PolarHBondContact O-N 3.2Å; E198-R202 IonicContact OE1-CZ 3.24Å; E198-R202 VanDerWaalsContact OE1-CZ 3.24Å; E198-R202 IonicContact OE1-NE 2.67Å; E198-R202 PolarHBondContact OE1-NE 3.37Å; E198-R202 VanDerWaalsContact OE1-NE 3.08Å; E198-R202 IonicContact OE1-NH2 3.41Å; E198-R202 PolarHBondContact OE1-NH2 3.42Å; K199-R202 CarbonylContact O-C 3.56Å; K199-R202 PolarHBondContact O-N 3.11Å; K199-R202 VanDerWaalsContact O-N 3.14Å; R202-L204 VanDerWaalsContact O-CD1 3.29Å; R202-L204 WeakPolarHBondContact O-CD1 3.46Å; R202-L204 PolarHBondContact O-N 3.37Å |
| 203 | L | 76.1 | Confident | 75 | Confident | 68 Ų | 68 | 85.9 Ų | 85.9 | 36% | 0.356 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -70.7 | 94.7 | 174.2 | -106.8 | 67.9 | 0 | 0 | 0 | 111.3 | K199 K201 Y205 A212 V213 N214 | K199-L203 VanDerWaalsContact O-CD1 3.24Å; K199-L203 WeakPolarHBondContact O-CD1 3.24Å; K199-L203 PolarHBondContact O-N 2.83Å; K201-L203 VanDerWaalsContact C-N 3.33Å; L203-Y205 PolarHBondContact O-N 2.89Å; L203-A212 HydrophobicContact CB-CB 4.39Å; L203-A212 HydrophobicContact CD2-CB 3.94Å; L203-A212 HydrophobicContact CG-CB 4.34Å; L203-V213 CarbonylContact C-O 3.42Å; L203-V213 VanDerWaalsContact CA-O 3.3Å; L203-V213 WeakPolarHBondContact CA-O 3.29Å; L203-N214 HydrophobicContact CD1-CB 4.45Å |
| 204 | L | 83 | Confident | 77.1 | Confident | 62 Ų | 62 | 84 Ų | 84 | 33% | 0.325 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 132 | 177.3 | -48.1 | 92.8 | 0 | 0 | 0 | 110.3 | R202 V213 S215 A216 L219 | R202-L204 VanDerWaalsContact O-CD1 3.29Å; R202-L204 WeakPolarHBondContact O-CD1 3.46Å; R202-L204 PolarHBondContact O-N 3.37Å; L204-V213 PolarHBondContact N-O 3.08Å; L204-V213 PolarHBondContact O-N 2.98Å; L204-S215 VanDerWaalsContact CD1-C 3.4Å; L204-A216 HydrophobicContact CD1-CB 4.33Å; L204-A216 HydrophobicContact CD2-CB 4.11Å; L204-L219 HydrophobicContact CB-CB 4.2Å; L204-L219 HydrophobicContact CB-CD2 3.48Å; L204-L219 VanDerWaalsContact CB-CD2 3.48Å; L204-L219 HydrophobicContact CB-CG 4.37Å; L204-L219 HydrophobicContact CD2-CD2 4.14Å; L204-L219 HydrophobicContact CG-CD2 4.44Å |
| 205 | Y | 91.2 | Very high | 78.9 | Confident | 130 Ų | 130 | 82.4 Ų | 82.4 | 51% | 0.51 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.2 | -168.4 | 172 | -102.6 | 0 | 0 | 0 | 113.3 | L203 S207 K210 A212 | L203-Y205 PolarHBondContact O-N 2.89Å; Y205-S207 PolarHBondContact O-N 2.74Å; Y205-K210 HydrophobicContact CE2-CB 4.31Å; Y205-K210 WeakPolarHBondContact OH-CG 2.88Å; Y205-A212 HydrophobicContact CD2-CB 4.28Å |
| 206 | C | 91.3 | Very high | 80.3 | Confident | 5 Ų | 5 | 81 Ų | 81 | 3% | 0.034 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 111.7 | 171.2 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | L208 C209 K210 V211 L219 H222 H228 | C206-L208 VanDerWaalsContact C-N 3.3Å; C206-L208 PolarHBondContact O-N 3.13Å; C206-C209 HydrophobicContact CB-CB 4.42Å; C206-C209 PolarHBondContact SG-N 3.49Å; C206-C209 VanDerWaalsContact SG-N 3.39Å; C206-K210 WeakPolarHBondContact O-CA 3.44Å; C206-K210 PolarHBondContact O-N 2.9Å; C206-V211 PolarHBondContact N-O 2.79Å; C206-L219 HydrophobicContact CB-CD1 4.07Å; C206-H222 WeakPolarHBondContact CB-NE2 3.42Å; C206-H222 PolarHBondContact SG-NE2 2.88Å; C206-H228 PolarHBondContact SG-CE1 2.93Å; C206-H228 PolarHBondContact SG-ND1 2.87Å |
| 207 | S | 88 | Confident | 81.5 | Confident | 86 Ų | 86 | 78.5 Ų | 78.5 | 60% | 0.601 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -26.2 | 178.3 | 62.3 | 0 | 0 | 0 | 0 | 114.6 | Y205 | Y205-S207 PolarHBondContact O-N 2.74Š|
| 208 | L | 88.9 | Confident | 82.7 | Confident | 36 Ų | 36 | 76.8 Ų | 76.8 | 19% | 0.188 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -48.3 | -179.1 | -57.7 | -170.5 | 0 | 0 | 0 | 112.3 | C206 L232 R235 | C206-L208 VanDerWaalsContact C-N 3.3Å; C206-L208 PolarHBondContact O-N 3.13Å; L208-L232 HydrophobicContact CD1-CB 3.76Å; L208-L232 HydrophobicContact CD1-CD1 3.93Å; L208-L232 HydrophobicContact CD1-CG 3.79Å; L208-R235 VanDerWaalsContact CD2-CD 3.44Å |
| 209 | C | 89.1 | Confident | 83.9 | Confident | 39 Ų | 39 | 73.9 Ų | 73.9 | 26% | 0.264 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -13.9 | -177.9 | -62.2 | 0 | 0 | 0 | 0 | 113.4 | C206 V211 H222 | C206-C209 HydrophobicContact CB-CB 4.42Å; C206-C209 PolarHBondContact SG-N 3.49Å; C206-C209 VanDerWaalsContact SG-N 3.39Å; C209-V211 VanDerWaalsContact C-N 3.28Å; C209-V211 HydrophobicContact CB-CG2 4.05Å; C209-V211 PolarHBondContact O-N 2.98Å; C209-H222 WeakPolarHBondContact CB-NE2 3.45Å; C209-H222 VanDerWaalsContact SG-CE1 3.59Å; C209-H222 PolarHBondContact SG-NE2 3.03Å; C209-H222 VanDerWaalsContact SG-NE2 3.42Å |
| 210 | K | 90.1 | Very high | 85.4 | Confident | 160 Ų | 160 | 76.9 Ų | 76.9 | 70% | 0.696 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 35.8 | -173.8 | -51.1 | -166 | 178.3 | -172.6 | 0 | 114.1 | Y205 C206 | Y205-K210 HydrophobicContact CE2-CB 4.31Å; Y205-K210 WeakPolarHBondContact OH-CG 2.88Å; C206-K210 WeakPolarHBondContact O-CA 3.44Å; C206-K210 PolarHBondContact O-N 2.9Å |
| 211 | V | 89 | Confident | 86.9 | Confident | 68 Ų | 68 | 76.8 Ų | 76.8 | 41% | 0.412 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 130.5 | 176.3 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | C206 C209 V213 | C206-V211 PolarHBondContact N-O 2.79Å; C209-V211 VanDerWaalsContact C-N 3.28Å; C209-V211 HydrophobicContact CB-CG2 4.05Å; C209-V211 PolarHBondContact O-N 2.98Å; V211-V213 HydrophobicContact CG1-CG2 3.94Å |
| 212 | A | 91.7 | Very high | 88.4 | Confident | 52 Ų | 52 | 71.3 Ų | 71.3 | 43% | 0.43 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 142.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | L203 Y205 | L203-A212 HydrophobicContact CB-CB 4.39Å; L203-A212 HydrophobicContact CD2-CB 3.94Å; L203-A212 HydrophobicContact CG-CB 4.34Å; Y205-A212 HydrophobicContact CD2-CB 4.28Å |
| 213 | V | 90.5 | Very high | 89.6 | Confident | 17 Ų | 17 | 68.5 Ų | 68.5 | 10% | 0.103 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 136.8 | -163.2 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | L203 L204 V211 Q218 L219 | L203-V213 CarbonylContact C-O 3.42Å; L203-V213 VanDerWaalsContact CA-O 3.3Å; L203-V213 WeakPolarHBondContact CA-O 3.29Å; L204-V213 PolarHBondContact N-O 3.08Å; L204-V213 PolarHBondContact O-N 2.98Å; V211-V213 HydrophobicContact CG1-CG2 3.94Å; V213-Q218 HydrophobicContact CG1-CB 3.21Å; V213-Q218 HydrophobicContact CG1-CG 4.39Å; V213-L219 HydrophobicContact CB-CB 4.43Å; V213-L219 HydrophobicContact CG1-CB 4.42Å; V213-L219 HydrophobicContact CG2-CD1 4.27Å |
| 214 | N | 89.1 | Confident | 90.3 | Very high | 100 Ų | 100 | 69.5 Ų | 69.5 | 54% | 0.535 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -77.8 | -29.3 | -163.8 | 178.7 | -97.7 | 0 | 0 | 0 | 114.6 | L203 | L203-N214 HydrophobicContact CD1-CB 4.45Š|
| 215 | S | 88.9 | Confident | 90.8 | Very high | 40 Ų | 40 | 67.8 Ų | 67.8 | 28% | 0.28 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -130.2 | 155.2 | 178.7 | 82.3 | 0 | 0 | 0 | 0 | 113.2 | L204 S217 Q218 L219 | L204-S215 VanDerWaalsContact CD1-C 3.4Å; S215-S217 VanDerWaalsContact C-N 3.32Å; S215-S217 PolarHBondContact O-N 2.86Å; S215-Q218 WeakPolarHBondContact O-CB 3.43Å; S215-Q218 PolarHBondContact O-N 3.12Å; S215-Q218 VanDerWaalsContact O-N 3.1Å; S215-Q218 WeakPolarHBondContact OG-CG 3.47Å; S215-Q218 PolarHBondContact OG-N 2.86Å; S215-L219 PolarHBondContact O-N 3.39Å |
| 216 | A | 89.1 | Confident | 90.8 | Very high | 62 Ų | 62 | 66.8 Ų | 66.8 | 51% | 0.512 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.1 | -43 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | L204 Q218 L219 E220 | L204-A216 HydrophobicContact CD1-CB 4.33Å; L204-A216 HydrophobicContact CD2-CB 4.11Å; A216-Q218 VanDerWaalsContact C-N 3.32Å; A216-Q218 PolarHBondContact O-N 3.24Å; A216-L219 PolarHBondContact O-N 3.08Å; A216-E220 PolarHBondContact O-N 2.87Å |
| 217 | S | 91.5 | Very high | 90.8 | Very high | 93 Ų | 93 | 75.5 Ų | 75.5 | 65% | 0.65 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59.9 | -38.1 | 174.7 | 172.9 | 0 | 0 | 0 | 0 | 112.8 | S215 E220 A221 | S215-S217 VanDerWaalsContact C-N 3.32Å; S215-S217 PolarHBondContact O-N 2.86Å; S217-E220 WeakPolarHBondContact O-CB 3.47Å; S217-E220 PolarHBondContact O-N 3Å; S217-A221 WeakPolarHBondContact O-CB 3.45Å; S217-A221 PolarHBondContact O-N 3.37Å |
| 218 | Q | 90.9 | Very high | 91 | Very high | 97 Ų | 97 | 72.1 Ų | 72.1 | 45% | 0.453 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.7 | -32.9 | 174 | -69.7 | 168.4 | 6.7 | 0 | 0 | 112.1 | V213 S215 A216 H222 | V213-Q218 HydrophobicContact CG1-CB 3.21Å; V213-Q218 HydrophobicContact CG1-CG 4.39Å; S215-Q218 WeakPolarHBondContact O-CB 3.43Å; S215-Q218 PolarHBondContact O-N 3.12Å; S215-Q218 VanDerWaalsContact O-N 3.1Å; S215-Q218 WeakPolarHBondContact OG-CG 3.47Å; S215-Q218 PolarHBondContact OG-N 2.86Å; A216-Q218 VanDerWaalsContact C-N 3.32Å; A216-Q218 PolarHBondContact O-N 3.24Å; Q218-H222 WeakPolarHBondContact O-CB 3.33Å; Q218-H222 PolarHBondContact O-N 3.3Å |
| 219 | L | 92 | Very high | 91.1 | Very high | 24 Ų | 24 | 76 Ų | 76 | 13% | 0.126 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -72.4 | -37.4 | 173.7 | -176.1 | 65.1 | 0 | 0 | 0 | 111.6 | L204 C206 V213 S215 A216 H222 N223 | L204-L219 HydrophobicContact CB-CB 4.2Å; L204-L219 HydrophobicContact CB-CD2 3.48Å; L204-L219 VanDerWaalsContact CB-CD2 3.48Å; L204-L219 HydrophobicContact CB-CG 4.37Å; L204-L219 HydrophobicContact CD2-CD2 4.14Å; L204-L219 HydrophobicContact CG-CD2 4.44Å; C206-L219 HydrophobicContact CB-CD1 4.07Å; V213-L219 HydrophobicContact CB-CB 4.43Å; V213-L219 HydrophobicContact CG1-CB 4.42Å; V213-L219 HydrophobicContact CG2-CD1 4.27Å; S215-L219 PolarHBondContact O-N 3.39Å; A216-L219 PolarHBondContact O-N 3.08Å; L219-H222 HydrophobicContact CD1-CB 4.38Å; L219-H222 WeakPolarHBondContact O-CB 3.44Å; L219-H222 PolarHBondContact O-N 3.15Å; L219-H222 VanDerWaalsContact O-N 3.17Å; L219-N223 WeakPolarHBondContact O-CB 3.2Å; L219-N223 PolarHBondContact O-N 3Å; L219-N223 PolarHBondContact O-ND2 3.02Å |
| 220 | E | 90.9 | Very high | 91.2 | Very high | 133 Ų | 133 | 77.9 Ų | 77.9 | 62% | 0.621 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -58 | -49 | 172.2 | -158.4 | 73.5 | -99.4 | 0 | 0 | 110.8 | A216 S217 H222 N223 S224 | A216-E220 PolarHBondContact O-N 2.87Å; S217-E220 WeakPolarHBondContact O-CB 3.47Å; S217-E220 PolarHBondContact O-N 3Å; E220-H222 VanDerWaalsContact C-N 3.3Å; E220-H222 PolarHBondContact O-N 2.87Å; E220-N223 PolarHBondContact O-N 2.92Å; E220-S224 WeakPolarHBondContact O-CB 3.34Å; E220-S224 PolarHBondContact O-N 3.46Å; E220-S224 PolarHBondContact O-OG 3.08Å |
| 221 | A | 93.4 | Very high | 91.1 | Very high | 64 Ų | 64 | 75 Ų | 75 | 53% | 0.529 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.4 | -31.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S217 S224 G225 | S217-A221 WeakPolarHBondContact O-CB 3.45Å; S217-A221 PolarHBondContact O-N 3.37Å; A221-S224 WeakPolarHBondContact CA-OG 3.28Å; A221-S224 PolarHBondContact O-OG 3.35Å; A221-G225 PolarHBondContact O-N 2.88Å; A221-G225 VanDerWaalsContact O-N 3.14Å |
| 222 | H | 94.6 | Very high | 91 | Very high | 43 Ų | 43 | 74.8 Ų | 74.8 | 20% | 0.199 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -68.6 | -48.1 | 172.8 | 173.3 | 80.7 | 0 | 0 | 0 | 111.7 | C206 C209 Q218 L219 E220 G225 H228 | C206-H222 WeakPolarHBondContact CB-NE2 3.42Å; C206-H222 PolarHBondContact SG-NE2 2.88Å; C209-H222 WeakPolarHBondContact CB-NE2 3.45Å; C209-H222 VanDerWaalsContact SG-CE1 3.59Å; C209-H222 PolarHBondContact SG-NE2 3.03Å; C209-H222 VanDerWaalsContact SG-NE2 3.42Å; Q218-H222 WeakPolarHBondContact O-CB 3.33Å; Q218-H222 PolarHBondContact O-N 3.3Å; L219-H222 HydrophobicContact CD1-CB 4.38Å; L219-H222 WeakPolarHBondContact O-CB 3.44Å; L219-H222 PolarHBondContact O-N 3.15Å; L219-H222 VanDerWaalsContact O-N 3.17Å; E220-H222 VanDerWaalsContact C-N 3.3Å; E220-H222 PolarHBondContact O-N 2.87Å; H222-G225 PolarHBondContact O-N 2.91Å; H222-H228 AromaticContact CD2-ND1 3.35Å; H222-H228 PolarHBondContact CD2-ND1 3.09Å; H222-H228 AromaticContact NE2-CG 3.98Å; H222-H228 AromaticContact NE2-ND1 3.14Å; H222-H228 PolarHBondContact NE2-ND1 2.8Å; H222-H228 VanDerWaalsContact NE2-ND1 3.14Å; H222-H228 WeakPolarHBondContact O-CB 3.29Å |
| 223 | N | 91.7 | Very high | 90.8 | Very high | 59 Ų | 59 | 76.9 Ų | 76.9 | 32% | 0.316 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | -176.6 | -68.9 | -19.7 | 0 | 0 | 0 | 112.2 | L219 E220 G225 H228 | L219-N223 WeakPolarHBondContact O-CB 3.2Å; L219-N223 PolarHBondContact O-N 3Å; L219-N223 PolarHBondContact O-ND2 3.02Å; E220-N223 PolarHBondContact O-N 2.92Å; N223-G225 VanDerWaalsContact C-N 3.33Å; N223-H228 PolarHBondContact O-CD2 3.43Å; N223-H228 VanDerWaalsContact O-CD2 3.3Å; N223-H228 PolarHBondContact OD1-CE1 3.13Å; N223-H228 PolarHBondContact OD1-ND1 2.87Å |
| 224 | S | 91.6 | Very high | 90.5 | Very high | 90 Ų | 90 | 79.4 Ų | 79.4 | 63% | 0.629 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -74.3 | -20.7 | 174.3 | 54.2 | 0 | 0 | 0 | 0 | 113.6 | E220 A221 | E220-S224 WeakPolarHBondContact O-CB 3.34Å; E220-S224 PolarHBondContact O-N 3.46Å; E220-S224 PolarHBondContact O-OG 3.08Å; A221-S224 WeakPolarHBondContact CA-OG 3.28Å; A221-S224 PolarHBondContact O-OG 3.35Å |
| 225 | G | 92.8 | Very high | 90.2 | Very high | 26 Ų | 26 | 83.1 Ų | 83.1 | 27% | 0.268 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -66.1 | 141.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A221 H222 N223 K227 H228 K229 | A221-G225 PolarHBondContact O-N 2.88Å; A221-G225 VanDerWaalsContact O-N 3.14Å; H222-G225 PolarHBondContact O-N 2.91Å; N223-G225 VanDerWaalsContact C-N 3.33Å; G225-K227 PolarHBondContact O-N 3.45Å; G225-H228 WeakPolarHBondContact O-CB 3.41Å; G225-H228 PolarHBondContact O-N 3.23Å; G225-K229 PolarHBondContact O-N 3.45Å |
| 226 | T | 92.2 | Very high | 89.7 | Confident | 109 Ų | 109 | 85.5 Ų | 85.5 | 67% | 0.669 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -49.5 | -39 | -175.1 | -37.2 | 0 | 0 | 0 | 0 | 113.9 | H228 K229 T230 | T226-H228 VanDerWaalsContact C-N 3.34Å; T226-H228 PolarHBondContact O-N 2.91Å; T226-K229 PolarHBondContact O-N 3.25Å; T226-T230 PolarHBondContact O-N 2.84Å; T226-T230 PolarHBondContact O-OG1 2.84Å |
| 227 | K | 90.3 | Very high | 88.6 | Confident | 187 Ų | 187 | 85.5 Ų | 85.5 | 81% | 0.813 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63 | -37.7 | 179 | -66.5 | -178.9 | -179.8 | 175.9 | 0 | 112.7 | G225 M231 | G225-K227 PolarHBondContact O-N 3.45Å; K227-M231 VanDerWaalsContact O-CG 3.3Å; K227-M231 WeakPolarHBondContact O-CG 3.44Å; K227-M231 PolarHBondContact O-N 3.12Å |
| 228 | H | 93.1 | Very high | 87.1 | Confident | 15 Ų | 15 | 86.8 Ų | 86.8 | 7% | 0.069 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -74.1 | -47.2 | 174.3 | -177.2 | 116.3 | 0 | 0 | 0 | 110.5 | C206 H222 N223 G225 T226 T230 M231 L232 | C206-H228 PolarHBondContact SG-CE1 2.93Å; C206-H228 PolarHBondContact SG-ND1 2.87Å; H222-H228 AromaticContact CD2-ND1 3.35Å; H222-H228 PolarHBondContact CD2-ND1 3.09Å; H222-H228 AromaticContact NE2-CG 3.98Å; H222-H228 AromaticContact NE2-ND1 3.14Å; H222-H228 PolarHBondContact NE2-ND1 2.8Å; H222-H228 VanDerWaalsContact NE2-ND1 3.14Å; H222-H228 WeakPolarHBondContact O-CB 3.29Å; N223-H228 PolarHBondContact O-CD2 3.43Å; N223-H228 VanDerWaalsContact O-CD2 3.3Å; N223-H228 PolarHBondContact OD1-CE1 3.13Å; N223-H228 PolarHBondContact OD1-ND1 2.87Å; G225-H228 WeakPolarHBondContact O-CB 3.41Å; G225-H228 PolarHBondContact O-N 3.23Å; T226-H228 VanDerWaalsContact C-N 3.34Å; T226-H228 PolarHBondContact O-N 2.91Å; H228-T230 PolarHBondContact O-N 3.32Å; H228-M231 CarbonylContact O-C 3.48Å; H228-M231 WeakPolarHBondContact O-CB 3.44Å; H228-M231 PolarHBondContact O-N 3.37Å; H228-M231 VanDerWaalsContact O-N 3.08Å; H228-L232 WeakPolarHBondContact O-CB 3.36Å; H228-L232 PolarHBondContact O-N 3.15Å |
| 229 | K | 91.6 | Very high | 85.1 | Confident | 118 Ų | 118 | 84.7 Ų | 84.7 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -53.2 | -50.7 | 179.6 | -178.9 | 173.5 | 170.2 | 174.9 | 0 | 112.2 | G225 T226 M231 L232 E233 | G225-K229 PolarHBondContact O-N 3.45Å; T226-K229 PolarHBondContact O-N 3.25Å; K229-M231 VanDerWaalsContact C-N 3.34Å; K229-M231 PolarHBondContact O-N 3.05Å; K229-L232 WeakPolarHBondContact O-CB 3.18Å; K229-L232 PolarHBondContact O-N 2.79Å; K229-L232 VanDerWaalsContact O-N 3.12Å; K229-E233 WeakPolarHBondContact CE-OE1 3.24Å; K229-E233 HydrophobicContact CG-CG 4.44Å; K229-E233 IonicContact NZ-OE1 3.08Å; K229-E233 WeakPolarHBondContact O-CG 3.29Å; K229-E233 PolarHBondContact O-N 3.18Å |
| 230 | T | 90 | Very high | 83.5 | Confident | 79 Ų | 79 | 91 Ų | 91 | 49% | 0.485 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -34 | 178.3 | -56.9 | 0 | 0 | 0 | 0 | 113.1 | T226 H228 E233 A234 | T226-T230 PolarHBondContact O-N 2.84Å; T226-T230 PolarHBondContact O-OG1 2.84Å; H228-T230 PolarHBondContact O-N 3.32Å; T230-E233 WeakPolarHBondContact CA-OE2 3.36Å; T230-A234 VanDerWaalsContact O-CB 3.29Å; T230-A234 WeakPolarHBondContact O-CB 3.46Å; T230-A234 PolarHBondContact O-N 3.42Å |
| 231 | M | 87.4 | Confident | 81.9 | Confident | 100 Ų | 100 | 91.7 Ų | 91.7 | 49% | 0.493 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.7 | -33 | 173.3 | -78.3 | -64.2 | -57 | 0 | 0 | 112.7 | K227 H228 K229 R235 | K227-M231 VanDerWaalsContact O-CG 3.3Å; K227-M231 WeakPolarHBondContact O-CG 3.44Å; K227-M231 PolarHBondContact O-N 3.12Å; H228-M231 CarbonylContact O-C 3.48Å; H228-M231 WeakPolarHBondContact O-CB 3.44Å; H228-M231 PolarHBondContact O-N 3.37Å; H228-M231 VanDerWaalsContact O-N 3.08Å; K229-M231 VanDerWaalsContact C-N 3.34Å; K229-M231 PolarHBondContact O-N 3.05Å; M231-R235 PolarHBondContact O-N 3.38Å |
| 232 | L | 88.4 | Confident | 79.9 | Confident | 63 Ų | 63 | 97.7 Ų | 97.7 | 33% | 0.33 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71.7 | -48.2 | 175.1 | -169 | 159.8 | 0 | 0 | 0 | 110.6 | L208 H228 K229 A234 R235 N236 | L208-L232 HydrophobicContact CD1-CB 3.76Å; L208-L232 HydrophobicContact CD1-CD1 3.93Å; L208-L232 HydrophobicContact CD1-CG 3.79Å; H228-L232 WeakPolarHBondContact O-CB 3.36Å; H228-L232 PolarHBondContact O-N 3.15Å; K229-L232 WeakPolarHBondContact O-CB 3.18Å; K229-L232 PolarHBondContact O-N 2.79Å; K229-L232 VanDerWaalsContact O-N 3.12Å; L232-A234 VanDerWaalsContact C-N 3.32Å; L232-A234 PolarHBondContact O-N 2.94Å; L232-R235 PolarHBondContact O-N 2.82Å; L232-N236 HydrophobicContact CD2-CB 4.46Å; L232-N236 WeakPolarHBondContact O-CB 3.44Å; L232-N236 PolarHBondContact O-N 2.76Å; L232-N236 PolarHBondContact O-OD1 3.36Å |
| 233 | E | 86.2 | Confident | 77.8 | Confident | 95 Ų | 95 | 99.3 Ų | 99.3 | 44% | 0.444 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -56.1 | -44.8 | 175.2 | -71.2 | 164.8 | 159.3 | 0 | 0 | 111.7 | K229 T230 R235 N236 | K229-E233 WeakPolarHBondContact CE-OE1 3.24Å; K229-E233 HydrophobicContact CG-CG 4.44Å; K229-E233 IonicContact NZ-OE1 3.08Å; K229-E233 WeakPolarHBondContact O-CG 3.29Å; K229-E233 PolarHBondContact O-N 3.18Å; T230-E233 WeakPolarHBondContact CA-OE2 3.36Å; E233-R235 VanDerWaalsContact C-N 3.29Å; E233-R235 PolarHBondContact O-N 2.89Å; E233-N236 PolarHBondContact O-N 2.96Å |
| 234 | A | 85 | Confident | 75.9 | Confident | 70 Ų | 70 | 104.8 Ų | 104.8 | 58% | 0.579 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.5 | -25.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | T230 L232 | T230-A234 VanDerWaalsContact O-CB 3.29Å; T230-A234 WeakPolarHBondContact O-CB 3.46Å; T230-A234 PolarHBondContact O-N 3.42Å; L232-A234 VanDerWaalsContact C-N 3.32Å; L232-A234 PolarHBondContact O-N 2.94Å |
| 235 | R | 82.8 | Confident | 74.5 | Confident | 178 Ų | 178 | 104.6 Ų | 104.6 | 67% | 0.672 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -85.1 | -37.3 | 175.1 | 178.6 | 179.2 | 172.8 | -94 | 2.4 | 112.5 | L208 M231 L232 E233 G237 | L208-R235 VanDerWaalsContact CD2-CD 3.44Å; M231-R235 PolarHBondContact O-N 3.38Å; L232-R235 PolarHBondContact O-N 2.82Å; E233-R235 VanDerWaalsContact C-N 3.29Å; E233-R235 PolarHBondContact O-N 2.89Å; R235-G237 PolarHBondContact O-N 3.25Å |
| 236 | N | 78.9 | Confident | 72.6 | Confident | 91 Ų | 91 | 115.4 Ų | 115.4 | 49% | 0.487 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -77 | -4.4 | -173.6 | -77.6 | 29.9 | 0 | 0 | 0 | 113.4 | L232 E233 S238 | L232-N236 HydrophobicContact CD2-CB 4.46Å; L232-N236 WeakPolarHBondContact O-CB 3.44Å; L232-N236 PolarHBondContact O-N 2.76Å; L232-N236 PolarHBondContact O-OD1 3.36Å; E233-N236 PolarHBondContact O-N 2.96Å; N236-S238 VanDerWaalsContact C-N 3.26Å; N236-S238 PolarHBondContact O-N 3.42Å; N236-S238 PolarHBondContact O-OG 3.42Å |
| 237 | G | 65.4 | Low | 70.7 | Confident | 62 Ų | 62 | 113.8 Ų | 113.8 | 64% | 0.639 | 62% | 0.618 | S | S | * | * | trans | 76.4 | 2.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | R235 G239 | R235-G237 PolarHBondContact O-N 3.25Å; G237-G239 VanDerWaalsContact C-N 3.27Å; G237-G239 PolarHBondContact O-N 2.93Å | ||
| 238 | S | 59.8 | Low | 68.5 | Low | 120 Ų | 120 | 108.3 Ų | 108.3 | 84% | 0.839 | 62% | 0.615 | S | S | * | * | trans | -83.9 | 9.4 | -177.8 | -46.9 | 0 | 0 | 0 | 0 | 114.6 | N236 | N236-S238 VanDerWaalsContact C-N 3.26Å; N236-S238 PolarHBondContact O-N 3.42Å; N236-S238 PolarHBondContact O-OG 3.42Å | ||
| 239 | G | 50.2 | Low | 66.9 | Low | 52 Ų | 52 | 114.8 Ų | 114.8 | 54% | 0.536 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -99.9 | 133.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G237 I241 | G237-G239 VanDerWaalsContact C-N 3.27Å; G237-G239 PolarHBondContact O-N 2.93Å; G239-I241 PolarHBondContact O-N 3.14Å |
| 240 | T | 57.5 | Low | 64.8 | Low | 157 Ų | 157 | 119 Ų | 119 | 96% | 0.963 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -69.2 | 18.5 | -179.6 | 27 | 0 | 0 | 0 | 0 | 115.2 | ||
| 241 | I | 56.2 | Low | 63.1 | Low | 148 Ų | 148 | 119 Ų | 119 | 76% | 0.759 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -106.5 | 131.7 | -175.8 | -57.2 | 177.7 | 0 | 0 | 0 | 109.5 | G239 A243 | G239-I241 PolarHBondContact O-N 3.14Å; I241-A243 VanDerWaalsContact C-N 3.31Å; I241-A243 PolarHBondContact O-N 2.92Å |
| 242 | K | 53.1 | Low | 60.9 | Low | 189 Ų | 189 | 124.8 Ų | 124.8 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | trans | -68 | 79.9 | -177.7 | -70 | 173 | 177.5 | 167.3 | 0 | 112.2 | F244 | K242-F244 VanDerWaalsContact O-CD2 3.28Å; K242-F244 WeakPolarHBondContact O-CD2 3.17Å; K242-F244 PolarHBondContact O-N 3.44Å | ||
| 243 | A | 50.4 | Low | 59.3 | Low | 78 Ų | 78 | 125.1 Ų | 125.1 | 65% | 0.645 | 73% | 0.729 | S | S | * | * | trans | -69.9 | 105.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | I241 P245 | I241-A243 VanDerWaalsContact C-N 3.31Å; I241-A243 PolarHBondContact O-N 2.92Å; A243-P245 VanDerWaalsContact O-CD 3.29Å; A243-P245 WeakPolarHBondContact O-CD 3.28Å | ||
| 244 | F | 51.7 | Low | 57.3 | Low | 174 Ų | 174 | 127 Ų | 127 | 76% | 0.763 | 75% | 0.75 | S | S | * | * | trans | -68.2 | 118.7 | 177.3 | -71.4 | -98.5 | 0 | 0 | 0 | 110.9 | K242 R246 | K242-F244 VanDerWaalsContact O-CD2 3.28Å; K242-F244 WeakPolarHBondContact O-CD2 3.17Å; K242-F244 PolarHBondContact O-N 3.44Å; F244-R246 PolarHBondContact O-N 2.86Å; F244-R246 VanDerWaalsContact O-N 3.15Å | ||
| 245 | P | 62 | Low | 55.3 | Low | 86 Ų | 86 | 130.8 Ų | 130.8 | 56% | 0.558 | 77% | 0.766 | S | S | * | * | trans | -65.3 | 116.7 | -179.6 | -20.7 | 32.1 | 0 | 0 | 0 | 111.6 | A243 A247 Q263 | A243-P245 VanDerWaalsContact O-CD 3.29Å; A243-P245 WeakPolarHBondContact O-CD 3.28Å; P245-A247 VanDerWaalsContact C-N 3.26Å; P245-A247 PolarHBondContact O-N 3.24Å; P245-Q263 PolarHBondContact O-NE2 3.06Å | ||
| 246 | R | 51.5 | Low | 53.5 | Low | 252 Ų | 252 | 129 Ų | 129 | 95% | 0.951 | 77% | 0.769 | S | S | * | * | trans | -83.2 | 67.6 | -177.1 | -151.9 | 179.2 | -154.3 | -136.4 | 8.9 | 111.3 | F244 G248 | F244-R246 PolarHBondContact O-N 2.86Å; F244-R246 VanDerWaalsContact O-N 3.15Å; R246-G248 PolarHBondContact O-N 3.38Å | ||
| 247 | A | 52.4 | Low | 52.1 | Low | 76 Ų | 76 | 133.9 Ų | 133.9 | 63% | 0.628 | 79% | 0.786 | S | S | * | * | trans | -63.4 | 119.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P245 L262 | P245-A247 VanDerWaalsContact C-N 3.26Å; P245-A247 PolarHBondContact O-N 3.24Å; A247-L262 HydrophobicContact CB-CD1 3.88Å | ||
| 248 | G | 45.8 | Very low | 50.9 | Low | 71 Ų | 71 | 135 Ų | 135 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | -179.7 | 86.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R246 | R246-G248 PolarHBondContact O-N 3.38Š| ||
| 249 | V | 58.6 | Low | 50.1 | Low | 152 Ų | 152 | 135.9 Ų | 135.9 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -163.5 | 156.5 | 145.3 | 134.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 250 | K | 46.8 | Very low | 50.2 | Low | 206 Ų | 206 | 138.3 Ų | 138.3 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | trans | -83.4 | 139.4 | -165.2 | -59.5 | 170.4 | -178 | 171.8 | 0 | 113.3 | ||||
| 251 | G | 54.2 | Low | 49.6 | Very low | 78 Ų | 78 | 134 Ų | 134 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -119.5 | 147.3 | 152.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 252 | K | 41.6 | Very low | 49.6 | Very low | 223 Ų | 223 | 132 Ų | 132 | 97% | 0.97 | 78% | 0.775 | S | S | * | * | trans | -101.4 | 132.6 | 173.8 | -69.5 | -179.3 | 178.2 | 178.6 | 0 | 109.4 | ||||
| 253 | G | 54.9 | Low | 49.6 | Very low | 69 Ų | 69 | 127.9 Ų | 127.9 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | -160.4 | 150.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 254 | P | 45.3 | Very low | 49.6 | Very low | 136 Ų | 136 | 127 Ų | 127 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | trans | -80.2 | 170 | -171.7 | 32.4 | -35.9 | 0 | 0 | 0 | 114.2 | ||||
| 255 | V | 43.1 | Very low | 50 | Low | 148 Ų | 148 | 125.6 Ų | 125.6 | 90% | 0.897 | 74% | 0.737 | S | S | * | * | trans | -61.4 | 127.1 | -172.6 | 177.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 256 | N | 45.1 | Very low | 50.5 | Low | 140 Ų | 140 | 124.6 Ų | 124.6 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | trans | -144.3 | 170.7 | 149.6 | -150.7 | -15.3 | 0 | 0 | 0 | 110.7 | ||||
| 257 | K | 48.5 | Very low | 51.9 | Low | 194 Ų | 194 | 114.5 Ų | 114.5 | 84% | 0.843 | 69% | 0.692 | S | S | * | * | trans | -62.3 | 145.7 | -163.8 | -69.3 | 158.2 | -177.8 | 169.7 | 0 | 113.3 | ||||
| 258 | G | 39.4 | Very low | 53.8 | Low | 85 Ų | 85 | 114.7 Ų | 114.7 | 88% | 0.876 | 68% | 0.68 | S | S | * | * | trans | -68.1 | 132.6 | -158.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 259 | N | 42.9 | Very low | 56.1 | Low | 140 Ų | 140 | 111.6 Ų | 111.6 | 75% | 0.749 | 65% | 0.647 | S | S | * | * | trans | -123.9 | 145.9 | 145.6 | 80.3 | 70.7 | 0 | 0 | 0 | 108.8 | G261 | N259-G261 VanDerWaalsContact C-N 3.35Å; N259-G261 PolarHBondContact O-N 3.13Å; N259-G261 WeakPolarHBondContact OD1-CA 3.39Å; N259-G261 PolarHBondContact OD1-N 3.24Å | ||
| 260 | T | 53.9 | Low | 57.6 | Low | 102 Ų | 102 | 112 Ų | 112 | 63% | 0.626 | 64% | 0.639 | S | S | * | * | trans | -93.2 | 67.8 | -178.4 | -50.6 | 0 | 0 | 0 | 0 | 109.9 | L262 N264 | T260-L262 PolarHBondContact O-N 2.82Å; T260-N264 HydrophobicContact CG2-CB 4.41Å | ||
| 261 | G | 43.6 | Very low | 59.6 | Low | 68 Ų | 68 | 105.8 Ų | 105.8 | 70% | 0.701 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 51.5 | -172 | 0 | 0 | 0 | 0 | 0 | 116.3 | N259 | N259-G261 VanDerWaalsContact C-N 3.35Å; N259-G261 PolarHBondContact O-N 3.13Å; N259-G261 WeakPolarHBondContact OD1-CA 3.39Å; N259-G261 PolarHBondContact OD1-N 3.24Å |
| 262 | L | 56.5 | Low | 61.3 | Low | 106 Ų | 106 | 103.1 Ų | 103.1 | 56% | 0.555 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135 | 57.5 | -179.8 | -166.5 | 61.7 | 0 | 0 | 0 | 113.1 | A247 T260 N264 | A247-L262 HydrophobicContact CB-CD1 3.88Å; T260-L262 PolarHBondContact O-N 2.82Å; L262-N264 PolarHBondContact O-N 3.49Å; L262-N264 PolarHBondContact O-OD1 3.35Å |
| 263 | Q | 52.5 | Low | 63.7 | Low | 102 Ų | 102 | 97.9 Ų | 97.9 | 48% | 0.477 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 63.2 | 4.8 | 175.8 | -50.1 | 163.3 | 34.4 | 0 | 0 | 114.8 | P245 K265 | P245-Q263 PolarHBondContact O-NE2 3.06Å; Q263-K265 VanDerWaalsContact C-N 3.31Å; Q263-K265 PolarHBondContact O-N 3.46Å |
| 264 | N | 51.1 | Low | 65.2 | Low | 59 Ų | 59 | 97.5 Ų | 97.5 | 32% | 0.316 | 55% | 0.549 | S | S | . | . | trans | -66.4 | 88.6 | 172 | -60.4 | 90.8 | 0 | 0 | 0 | 109.6 | T260 L262 T266 | T260-N264 HydrophobicContact CG2-CB 4.41Å; L262-N264 PolarHBondContact O-N 3.49Å; L262-N264 PolarHBondContact O-OD1 3.35Å; N264-T266 PolarHBondContact O-N 3.18Å; N264-T266 PolarHBondContact O-OG1 2.89Å | ||
| 265 | K | 60.7 | Low | 67.5 | Low | 145 Ų | 145 | 97.2 Ų | 97.2 | 63% | 0.63 | 54% | 0.536 | S | S | * | . | trans | -54.5 | 91.4 | 146.2 | 45.7 | 176.5 | -177.8 | -67.8 | 0 | 106.6 | Q263 F267 | Q263-K265 VanDerWaalsContact C-N 3.31Å; Q263-K265 PolarHBondContact O-N 3.46Å; K265-F267 HydrophobicContact CB-CE2 4.47Å; K265-F267 HydrophobicContact CB-CZ 4.44Å; K265-F267 HydrophobicContact CD-CE1 4.36Å; K265-F267 HydrophobicContact CD-CE2 3.98Å; K265-F267 HydrophobicContact CD-CZ 3.51Å; K265-F267 HydrophobicContact CG-CE2 3.75Å; K265-F267 HydrophobicContact CG-CZ 3.79Å; K265-F267 WeakPolarHBondContact O-CD2 3.16Å; K265-F267 VanDerWaalsContact O-CE2 3.26Å; K265-F267 WeakPolarHBondContact O-CE2 3.38Å; K265-F267 PolarHBondContact O-N 3.5Å | ||
| 266 | T | 72.4 | Confident | 69.7 | Low | 65 Ų | 65 | 91.1 Ų | 91.1 | 40% | 0.399 | 50% | 0.499 | S | S | . | . | trans | -76.8 | 115.8 | -173.7 | -64.5 | 0 | 0 | 0 | 0 | 106.1 | N264 H268 H275 | N264-T266 PolarHBondContact O-N 3.18Å; N264-T266 PolarHBondContact O-OG1 2.89Å; T266-H268 VanDerWaalsContact C-N 3.32Å; T266-H268 PolarHBondContact O-N 3.29Å; T266-H275 HydrophobicContact CG2-CB 4.08Å | ||
| 267 | F | 80.6 | Confident | 71.6 | Confident | 40 Ų | 40 | 90.4 Ų | 90.4 | 18% | 0.175 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 88.1 | -169.6 | -75.3 | -77 | 0 | 0 | 0 | 108.7 | K265 V276 E279 L282 | K265-F267 HydrophobicContact CB-CE2 4.47Å; K265-F267 HydrophobicContact CB-CZ 4.44Å; K265-F267 HydrophobicContact CD-CE1 4.36Å; K265-F267 HydrophobicContact CD-CE2 3.98Å; K265-F267 HydrophobicContact CD-CZ 3.51Å; K265-F267 HydrophobicContact CG-CE2 3.75Å; K265-F267 HydrophobicContact CG-CZ 3.79Å; K265-F267 WeakPolarHBondContact O-CD2 3.16Å; K265-F267 VanDerWaalsContact O-CE2 3.26Å; K265-F267 WeakPolarHBondContact O-CE2 3.38Å; K265-F267 PolarHBondContact O-N 3.5Å; F267-V276 HydrophobicContact CB-CB 4.36Å; F267-V276 PolarHBondContact N-O 3.22Å; F267-V276 WeakPolarHBondContact O-CA 3.38Å; F267-V276 WeakPolarHBondContact O-CB 3.41Å; F267-V276 WeakPolarHBondContact O-CG2 3.36Å; F267-V276 PolarHBondContact O-N 3.21Å; F267-E279 HydrophobicContact CD1-CB 4.23Å; F267-E279 HydrophobicContact CD1-CG 4.14Å; F267-E279 HydrophobicContact CD2-CB 4.17Å; F267-E279 HydrophobicContact CE1-CB 3.73Å; F267-E279 HydrophobicContact CE1-CG 3.53Å; F267-E279 HydrophobicContact CE2-CB 3.65Å; F267-E279 HydrophobicContact CE2-CG 4.38Å; F267-E279 VanDerWaalsContact CE2-N 3.31Å; F267-E279 HydrophobicContact CG-CB 4.41Å; F267-E279 HydrophobicContact CZ-CB 3.39Å; F267-E279 HydrophobicContact CZ-CG 3.65Å; F267-L282 HydrophobicContact CB-CB 3.64Å; F267-L282 HydrophobicContact CB-CD2 3.67Å; F267-L282 HydrophobicContact CB-CG 4.18Å; F267-L282 HydrophobicContact CD1-CD2 3.98Å; F267-L282 HydrophobicContact CG-CB 4.42Å; F267-L282 HydrophobicContact CG-CD2 4.31Å |
| 268 | H | 92.6 | Very high | 73.5 | Confident | 80 Ų | 80 | 82.9 Ų | 82.9 | 37% | 0.37 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 139.4 | -179.4 | 173.6 | -122.6 | 0 | 0 | 0 | 111.5 | T266 E270 H275 | T266-H268 VanDerWaalsContact C-N 3.32Å; T266-H268 PolarHBondContact O-N 3.29Å; H268-E270 WeakPolarHBondContact CE1-CA 3.19Å; H268-H275 AromaticContact CD2-CE1 3.42Å; H268-H275 PolarHBondContact CD2-CE1 3.42Å; H268-H275 VanDerWaalsContact CD2-CE1 3.42Å; H268-H275 AromaticContact CD2-ND1 3.74Å; H268-H275 AromaticContact CD2-NE2 3.86Å; H268-H275 AromaticContact NE2-CE1 3.95Å |
| 269 | C | 93 | Very high | 76 | Confident | 5 Ų | 5 | 82.9 Ų | 82.9 | 3% | 0.034 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 100.1 | 166.9 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | I271 C272 D273 V274 L282 H285 H291 | C269-I271 VanDerWaalsContact C-N 3.33Å; C269-I271 PolarHBondContact O-N 3.27Å; C269-C272 HydrophobicContact CB-CB 4.38Å; C269-C272 CarbonylContact O-C 3.58Å; C269-C272 PolarHBondContact O-N 3.48Å; C269-D273 WeakPolarHBondContact O-CA 3.47Å; C269-D273 PolarHBondContact O-N 3.4Å; C269-V274 PolarHBondContact N-O 2.95Å; C269-V274 PolarHBondContact O-N 2.8Å; C269-L282 HydrophobicContact CB-CD1 3.65Å; C269-H285 PolarHBondContact SG-CD2 2.83Å; C269-H285 PolarHBondContact SG-NE2 3.41Å; C269-H291 PolarHBondContact SG-CE1 3.47Å; C269-H291 PolarHBondContact SG-ND1 3.26Å |
| 270 | E | 90.3 | Very high | 78.3 | Confident | 161 Ų | 161 | 80.7 Ų | 80.7 | 75% | 0.752 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -37 | -179.3 | -170.9 | 170.9 | -166.8 | 0 | 0 | 114.2 | H268 C272 | H268-E270 WeakPolarHBondContact CE1-CA 3.19Å; E270-C272 PolarHBondContact O-N 3.45Å |
| 271 | I | 90.2 | Very high | 80.1 | Confident | 76 Ų | 76 | 80.4 Ų | 80.4 | 39% | 0.39 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22.7 | 176.3 | -66.4 | 161.6 | 0 | 0 | 0 | 111.9 | C269 R294 A295 | C269-I271 VanDerWaalsContact C-N 3.33Å; C269-I271 PolarHBondContact O-N 3.27Å; I271-R294 HydrophobicContact CG2-CB 4.22Å; I271-R294 HydrophobicContact CG2-CG 4.14Å; I271-R294 WeakPolarHBondContact O-CD 2.89Å; I271-R294 PolarHBondContact O-NH1 3.01Å; I271-A295 HydrophobicContact CD1-CB 3.93Å; I271-A295 HydrophobicContact CG2-CB 4.23Å |
| 272 | C | 89.5 | Confident | 82.4 | Confident | 21 Ų | 21 | 78.1 Ų | 78.1 | 14% | 0.142 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | -4.8 | -172 | -68.1 | 0 | 0 | 0 | 0 | 115 | C269 E270 V274 H285 | C269-C272 HydrophobicContact CB-CB 4.38Å; C269-C272 CarbonylContact O-C 3.58Å; C269-C272 PolarHBondContact O-N 3.48Å; E270-C272 PolarHBondContact O-N 3.45Å; C272-V274 HydrophobicContact CB-CB 4.4Å; C272-V274 HydrophobicContact CB-CG2 3.84Å; C272-V274 WeakPolarHBondContact O-CG2 3.41Å; C272-V274 PolarHBondContact O-N 3.03Å; C272-V274 VanDerWaalsContact O-N 3.09Å; C272-H285 WeakPolarHBondContact CB-NE2 3.32Å; C272-H285 PolarHBondContact SG-NE2 2.85Å |
| 273 | D | 90.7 | Very high | 84.2 | Confident | 114 Ų | 114 | 78.9 Ų | 78.9 | 61% | 0.61 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 13.2 | -168.7 | -49.6 | -66.8 | 0 | 0 | 0 | 114.7 | C269 H275 | C269-D273 WeakPolarHBondContact O-CA 3.47Å; C269-D273 PolarHBondContact O-N 3.4Å; D273-H275 PolarHBondContact O-N 2.85Å; D273-H275 PolarHBondContact O-ND1 2.83Å; D273-H275 VanDerWaalsContact O-ND1 3.09Å |
| 274 | V | 88.1 | Confident | 86.2 | Confident | 60 Ų | 60 | 80.2 Ų | 80.2 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 120.8 | -174.8 | -178.9 | 0 | 0 | 0 | 0 | 110 | C269 C272 V276 | C269-V274 PolarHBondContact N-O 2.95Å; C269-V274 PolarHBondContact O-N 2.8Å; C272-V274 HydrophobicContact CB-CB 4.4Å; C272-V274 HydrophobicContact CB-CG2 3.84Å; C272-V274 WeakPolarHBondContact O-CG2 3.41Å; C272-V274 PolarHBondContact O-N 3.03Å; C272-V274 VanDerWaalsContact O-N 3.09Å; V274-V276 HydrophobicContact CG1-CG2 3.81Å |
| 275 | H | 93 | Very high | 88.3 | Confident | 131 Ų | 131 | 79.2 Ų | 79.2 | 61% | 0.606 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 122.2 | 174.2 | -70.9 | 61.8 | 0 | 0 | 0 | 110.1 | T266 H268 D273 | T266-H275 HydrophobicContact CG2-CB 4.08Å; H268-H275 AromaticContact CD2-CE1 3.42Å; H268-H275 PolarHBondContact CD2-CE1 3.42Å; H268-H275 VanDerWaalsContact CD2-CE1 3.42Å; H268-H275 AromaticContact CD2-ND1 3.74Å; H268-H275 AromaticContact CD2-NE2 3.86Å; H268-H275 AromaticContact NE2-CE1 3.95Å; D273-H275 PolarHBondContact O-N 2.85Å; D273-H275 PolarHBondContact O-ND1 2.83Å; D273-H275 VanDerWaalsContact O-ND1 3.09Å |
| 276 | V | 89.5 | Confident | 89.9 | Confident | 20 Ų | 20 | 76.1 Ų | 76.1 | 12% | 0.121 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 141.9 | -171.3 | -167.8 | 0 | 0 | 0 | 0 | 111.5 | F267 V274 S278 Q281 L282 | F267-V276 HydrophobicContact CB-CB 4.36Å; F267-V276 PolarHBondContact N-O 3.22Å; F267-V276 WeakPolarHBondContact O-CA 3.38Å; F267-V276 WeakPolarHBondContact O-CB 3.41Å; F267-V276 WeakPolarHBondContact O-CG2 3.36Å; F267-V276 PolarHBondContact O-N 3.21Å; V274-V276 HydrophobicContact CG1-CG2 3.81Å; V276-S278 VanDerWaalsContact C-N 3.35Å; V276-S278 PolarHBondContact O-N 2.96Å; V276-Q281 HydrophobicContact CG1-CB 3.25Å; V276-Q281 HydrophobicContact CG1-CG 4.4Å; V276-L282 HydrophobicContact CB-CB 4.33Å; V276-L282 HydrophobicContact CG2-CD1 4.28Å |
| 277 | N | 84.6 | Confident | 90.9 | Very high | 125 Ų | 125 | 77.5 Ų | 77.5 | 67% | 0.668 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -80.4 | -10.8 | -171.3 | -161.3 | 12 | 0 | 0 | 0 | 114 | ||
| 278 | S | 89 | Confident | 91.5 | Very high | 36 Ų | 36 | 77.4 Ų | 77.4 | 25% | 0.252 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -151.9 | 153.3 | -179.7 | 62.6 | 0 | 0 | 0 | 0 | 113.2 | V276 T280 Q281 L282 | V276-S278 VanDerWaalsContact C-N 3.35Å; V276-S278 PolarHBondContact O-N 2.96Å; S278-T280 VanDerWaalsContact C-N 3.3Å; S278-T280 PolarHBondContact O-N 3.29Å; S278-T280 PolarHBondContact OG-OG1 3.39Å; S278-Q281 PolarHBondContact O-N 3.45Å; S278-Q281 WeakPolarHBondContact OG-CB 3.44Å; S278-Q281 WeakPolarHBondContact OG-CG 3.18Å; S278-Q281 PolarHBondContact OG-OE1 2.76Å; S278-L282 PolarHBondContact O-N 2.97Å |
| 279 | E | 90.7 | Very high | 91.5 | Very high | 85 Ų | 85 | 82.8 Ų | 82.8 | 40% | 0.397 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | -177.7 | -162.3 | 178.4 | 128.3 | 0 | 0 | 112.2 | F267 L282 K283 | F267-E279 HydrophobicContact CD1-CB 4.23Å; F267-E279 HydrophobicContact CD1-CG 4.14Å; F267-E279 HydrophobicContact CD2-CB 4.17Å; F267-E279 HydrophobicContact CE1-CB 3.73Å; F267-E279 HydrophobicContact CE1-CG 3.53Å; F267-E279 HydrophobicContact CE2-CB 3.65Å; F267-E279 HydrophobicContact CE2-CG 4.38Å; F267-E279 VanDerWaalsContact CE2-N 3.31Å; F267-E279 HydrophobicContact CG-CB 4.41Å; F267-E279 HydrophobicContact CZ-CB 3.39Å; F267-E279 HydrophobicContact CZ-CG 3.65Å; E279-L282 PolarHBondContact O-N 2.64Å; E279-K283 HydrophobicContact CG-CD 4.31Å; E279-K283 WeakPolarHBondContact O-CB 3.35Å; E279-K283 WeakPolarHBondContact O-CG 3.5Å; E279-K283 PolarHBondContact O-N 3.24Å; E279-K283 WeakPolarHBondContact OE1-CE 3.35Å; E279-K283 IonicContact OE1-NZ 3.95Å; E279-K283 PolarHBondContact OE1-NZ 3.09Å |
| 280 | T | 91.8 | Very high | 91.3 | Very high | 94 Ų | 94 | 93 Ų | 93 | 58% | 0.577 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66 | -42.2 | 178.3 | 46.6 | 0 | 0 | 0 | 0 | 111.5 | S278 K283 Q284 | S278-T280 VanDerWaalsContact C-N 3.3Å; S278-T280 PolarHBondContact O-N 3.29Å; S278-T280 PolarHBondContact OG-OG1 3.39Å; T280-K283 PolarHBondContact O-N 2.92Å; T280-Q284 WeakPolarHBondContact O-CB 3.26Å; T280-Q284 VanDerWaalsContact O-CG 3.28Å; T280-Q284 WeakPolarHBondContact O-CG 3.04Å; T280-Q284 PolarHBondContact O-N 3.47Å |
| 281 | Q | 90.8 | Very high | 91.5 | Very high | 95 Ų | 95 | 86 Ų | 86 | 44% | 0.444 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.2 | -35 | 173.9 | -71.3 | 169.6 | -30.6 | 0 | 0 | 112.2 | V276 S278 H285 | V276-Q281 HydrophobicContact CG1-CB 3.25Å; V276-Q281 HydrophobicContact CG1-CG 4.4Å; S278-Q281 PolarHBondContact O-N 3.45Å; S278-Q281 WeakPolarHBondContact OG-CB 3.44Å; S278-Q281 WeakPolarHBondContact OG-CG 3.18Å; S278-Q281 PolarHBondContact OG-OE1 2.76Å; Q281-H285 WeakPolarHBondContact O-CB 3.2Å; Q281-H285 PolarHBondContact O-N 2.82Å |
| 282 | L | 93.7 | Very high | 91.6 | Very high | 20 Ų | 20 | 89 Ų | 89 | 11% | 0.105 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -69 | -43.6 | 173.3 | 177.7 | 67.5 | 0 | 0 | 0 | 111.4 | F267 C269 V276 S278 E279 Q284 H285 I286 | F267-L282 HydrophobicContact CB-CB 3.64Å; F267-L282 HydrophobicContact CB-CD2 3.67Å; F267-L282 HydrophobicContact CB-CG 4.18Å; F267-L282 HydrophobicContact CD1-CD2 3.98Å; F267-L282 HydrophobicContact CG-CB 4.42Å; F267-L282 HydrophobicContact CG-CD2 4.31Å; C269-L282 HydrophobicContact CB-CD1 3.65Å; V276-L282 HydrophobicContact CB-CB 4.33Å; V276-L282 HydrophobicContact CG2-CD1 4.28Å; S278-L282 PolarHBondContact O-N 2.97Å; E279-L282 PolarHBondContact O-N 2.64Å; L282-Q284 VanDerWaalsContact C-N 3.3Å; L282-Q284 PolarHBondContact O-N 3.02Å; L282-H285 WeakPolarHBondContact O-CA 3.48Å; L282-H285 WeakPolarHBondContact O-CB 3.46Å; L282-H285 PolarHBondContact O-N 3.1Å; L282-H285 VanDerWaalsContact O-N 3.1Å; L282-I286 HydrophobicContact CD1-CD1 3.96Å; L282-I286 HydrophobicContact CD1-CG1 4.09Å; L282-I286 HydrophobicContact CD2-CD1 4.18Å; L282-I286 HydrophobicContact CG-CD1 3.76Å; L282-I286 HydrophobicContact CG-CG1 4.28Å; L282-I286 WeakPolarHBondContact O-CG1 3.4Å; L282-I286 PolarHBondContact O-N 3.32Å |
| 283 | K | 93.7 | Very high | 91.7 | Very high | 123 Ų | 123 | 91.9 Ų | 91.9 | 54% | 0.535 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 174.1 | -76 | 171 | 173.3 | 172.6 | 0 | 111.2 | E279 T280 I286 S287 | E279-K283 HydrophobicContact CG-CD 4.31Å; E279-K283 WeakPolarHBondContact O-CB 3.35Å; E279-K283 WeakPolarHBondContact O-CG 3.5Å; E279-K283 PolarHBondContact O-N 3.24Å; E279-K283 WeakPolarHBondContact OE1-CE 3.35Å; E279-K283 IonicContact OE1-NZ 3.95Å; E279-K283 PolarHBondContact OE1-NZ 3.09Å; T280-K283 PolarHBondContact O-N 2.92Å; K283-I286 PolarHBondContact O-N 2.67Å; K283-S287 WeakPolarHBondContact O-CB 3.32Å; K283-S287 PolarHBondContact O-N 2.92Å; K283-S287 PolarHBondContact O-OG 2.77Å |
| 284 | Q | 94.5 | Very high | 91.6 | Very high | 129 Ų | 129 | 92.6 Ų | 92.6 | 60% | 0.603 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.1 | -44.5 | 171.6 | -75.3 | 173.5 | -16.9 | 0 | 0 | 112.1 | T280 L282 S287 S288 | T280-Q284 WeakPolarHBondContact O-CB 3.26Å; T280-Q284 VanDerWaalsContact O-CG 3.28Å; T280-Q284 WeakPolarHBondContact O-CG 3.04Å; T280-Q284 PolarHBondContact O-N 3.47Å; L282-Q284 VanDerWaalsContact C-N 3.3Å; L282-Q284 PolarHBondContact O-N 3.02Å; Q284-S287 WeakPolarHBondContact CA-OG 3.08Å; Q284-S287 PolarHBondContact O-N 3.17Å; Q284-S287 PolarHBondContact O-OG 3.23Å; Q284-S288 PolarHBondContact O-N 3.14Å; Q284-S288 VanDerWaalsContact O-N 3.09Å |
| 285 | H | 95.7 | Very high | 91.6 | Very high | 38 Ų | 38 | 92 Ų | 92 | 18% | 0.176 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -57.9 | -50.4 | 175 | 173.3 | 89.8 | 0 | 0 | 0 | 111.7 | C269 C272 Q281 L282 S287 S288 H291 | C269-H285 PolarHBondContact SG-CD2 2.83Å; C269-H285 PolarHBondContact SG-NE2 3.41Å; C272-H285 WeakPolarHBondContact CB-NE2 3.32Å; C272-H285 PolarHBondContact SG-NE2 2.85Å; Q281-H285 WeakPolarHBondContact O-CB 3.2Å; Q281-H285 PolarHBondContact O-N 2.82Å; L282-H285 WeakPolarHBondContact O-CA 3.48Å; L282-H285 WeakPolarHBondContact O-CB 3.46Å; L282-H285 PolarHBondContact O-N 3.1Å; L282-H285 VanDerWaalsContact O-N 3.1Å; H285-S287 PolarHBondContact O-N 2.92Å; H285-S288 WeakPolarHBondContact O-CB 3.47Å; H285-S288 PolarHBondContact O-N 3.16Å; H285-S288 PolarHBondContact O-OG 2.83Å; H285-H291 AromaticContact CD2-ND1 3.48Å; H285-H291 PolarHBondContact CD2-ND1 3.25Å; H285-H291 AromaticContact NE2-ND1 3.26Å; H285-H291 PolarHBondContact NE2-ND1 3.48Å; H285-H291 WeakPolarHBondContact O-CB 3.46Å |
| 286 | I | 93.9 | Very high | 91.1 | Very high | 81 Ų | 81 | 89 Ų | 89 | 42% | 0.415 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 179.7 | -67.4 | 170.1 | 0 | 0 | 0 | 111.1 | L282 K283 S288 H291 | L282-I286 HydrophobicContact CD1-CD1 3.96Å; L282-I286 HydrophobicContact CD1-CG1 4.09Å; L282-I286 HydrophobicContact CD2-CD1 4.18Å; L282-I286 HydrophobicContact CG-CD1 3.76Å; L282-I286 HydrophobicContact CG-CG1 4.28Å; L282-I286 WeakPolarHBondContact O-CG1 3.4Å; L282-I286 PolarHBondContact O-N 3.32Å; K283-I286 PolarHBondContact O-N 2.67Å; I286-S288 PolarHBondContact O-N 3.3Å; I286-H291 PolarHBondContact O-CD2 2.91Å |
| 287 | S | 93.9 | Very high | 90.1 | Very high | 93 Ų | 93 | 91.1 Ų | 91.1 | 65% | 0.65 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.6 | -16.1 | 174.5 | 73.1 | 0 | 0 | 0 | 0 | 114.2 | K283 Q284 H285 | K283-S287 WeakPolarHBondContact O-CB 3.32Å; K283-S287 PolarHBondContact O-N 2.92Å; K283-S287 PolarHBondContact O-OG 2.77Å; Q284-S287 WeakPolarHBondContact CA-OG 3.08Å; Q284-S287 PolarHBondContact O-N 3.17Å; Q284-S287 PolarHBondContact O-OG 3.23Å; H285-S287 PolarHBondContact O-N 2.92Å |
| 288 | S | 92.6 | Very high | 88.9 | Confident | 38 Ų | 38 | 92.5 Ų | 92.5 | 27% | 0.266 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -68.8 | 142.7 | -173.5 | 80 | 0 | 0 | 0 | 0 | 111.4 | Q284 H285 I286 R290 H291 K292 | Q284-S288 PolarHBondContact O-N 3.14Å; Q284-S288 VanDerWaalsContact O-N 3.09Å; H285-S288 WeakPolarHBondContact O-CB 3.47Å; H285-S288 PolarHBondContact O-N 3.16Å; H285-S288 PolarHBondContact O-OG 2.83Å; I286-S288 PolarHBondContact O-N 3.3Å; S288-R290 PolarHBondContact O-N 3.25Å; S288-R290 VanDerWaalsContact O-N 3.16Å; S288-H291 PolarHBondContact O-N 3.48Å; S288-H291 PolarHBondContact OG-N 3.28Å; S288-K292 PolarHBondContact O-N 3.21Å |
| 289 | R | 92.5 | Very high | 87.8 | Confident | 193 Ų | 193 | 95.9 Ų | 95.9 | 73% | 0.728 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -51.5 | -40.9 | 175.1 | 178.3 | 173 | 178 | 173.2 | 3.9 | 112.1 | H291 K292 D293 | R289-H291 PolarHBondContact O-N 3.44Å; R289-K292 PolarHBondContact O-N 2.97Å; R289-D293 VanDerWaalsContact CG-OD2 3.32Å; R289-D293 WeakPolarHBondContact CG-OD2 3.33Å; R289-D293 IonicContact NE-OD2 2.64Å; R289-D293 VanDerWaalsContact O-CB 3.32Å; R289-D293 WeakPolarHBondContact O-CB 3.43Å; R289-D293 PolarHBondContact O-N 3.04Å |
| 290 | R | 89.9 | Confident | 86.3 | Confident | 220 Ų | 220 | 97.4 Ų | 97.4 | 83% | 0.83 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.1 | -37.9 | 179.3 | -67.2 | 179.9 | -179.7 | -94.4 | 2.1 | 113.3 | S288 | S288-R290 PolarHBondContact O-N 3.25Å; S288-R290 VanDerWaalsContact O-N 3.16Å |
| 291 | H | 93.7 | Very high | 84.8 | Confident | 14 Ų | 14 | 102 Ų | 102 | 7% | 0.065 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -69.9 | -50.1 | 173.2 | 175.8 | 99.9 | 0 | 0 | 0 | 110.2 | C269 H285 I286 S288 R289 D293 R294 A295 | C269-H291 PolarHBondContact SG-CE1 3.47Å; C269-H291 PolarHBondContact SG-ND1 3.26Å; H285-H291 AromaticContact CD2-ND1 3.48Å; H285-H291 PolarHBondContact CD2-ND1 3.25Å; H285-H291 AromaticContact NE2-ND1 3.26Å; H285-H291 PolarHBondContact NE2-ND1 3.48Å; H285-H291 WeakPolarHBondContact O-CB 3.46Å; I286-H291 PolarHBondContact O-CD2 2.91Å; S288-H291 PolarHBondContact O-N 3.48Å; S288-H291 PolarHBondContact OG-N 3.28Å; R289-H291 PolarHBondContact O-N 3.44Å; H291-D293 VanDerWaalsContact C-N 3.31Å; H291-D293 PolarHBondContact O-N 3.31Å; H291-R294 PolarHBondContact O-N 3.44Å; H291-A295 WeakPolarHBondContact O-CB 3.37Å; H291-A295 PolarHBondContact O-N 2.97Å |
| 292 | K | 92.9 | Very high | 83.7 | Confident | 140 Ų | 140 | 103.6 Ų | 103.6 | 61% | 0.609 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58 | -40.8 | -179.6 | -168.5 | 173.4 | 68.7 | 173 | 0 | 112.9 | S288 R289 R294 A295 A296 | S288-K292 PolarHBondContact O-N 3.21Å; R289-K292 PolarHBondContact O-N 2.97Å; K292-R294 PolarHBondContact O-N 2.79Å; K292-A295 PolarHBondContact O-N 3.42Å; K292-A296 WeakPolarHBondContact O-CB 3.44Å; K292-A296 PolarHBondContact O-N 2.87Å |
| 293 | D | 91.1 | Very high | 81.9 | Confident | 81 Ų | 81 | 112.3 Ų | 112.3 | 43% | 0.433 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.4 | -26.9 | 177.8 | -69.3 | -18.1 | 0 | 0 | 0 | 112.5 | R289 H291 | R289-D293 VanDerWaalsContact CG-OD2 3.32Å; R289-D293 WeakPolarHBondContact CG-OD2 3.33Å; R289-D293 IonicContact NE-OD2 2.64Å; R289-D293 VanDerWaalsContact O-CB 3.32Å; R289-D293 WeakPolarHBondContact O-CB 3.43Å; R289-D293 PolarHBondContact O-N 3.04Å; H291-D293 VanDerWaalsContact C-N 3.31Å; H291-D293 PolarHBondContact O-N 3.31Å |
| 294 | R | 88.6 | Confident | 79.9 | Confident | 128 Ų | 128 | 116.4 Ų | 116.4 | 48% | 0.483 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -88.2 | -38.7 | 173.1 | -166.5 | -165.6 | -91.1 | -156.9 | -2.4 | 112.2 | I271 H291 K292 A296 G297 | I271-R294 HydrophobicContact CG2-CB 4.22Å; I271-R294 HydrophobicContact CG2-CG 4.14Å; I271-R294 WeakPolarHBondContact O-CD 2.89Å; I271-R294 PolarHBondContact O-NH1 3.01Å; H291-R294 PolarHBondContact O-N 3.44Å; K292-R294 PolarHBondContact O-N 2.79Å; R294-A296 PolarHBondContact O-N 3.09Å; R294-G297 PolarHBondContact O-N 3.09Å |
| 295 | A | 87.6 | Confident | 78.1 | Confident | 49 Ų | 49 | 113.8 Ų | 113.8 | 41% | 0.405 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.7 | -32.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | I271 H291 K292 G297 | I271-A295 HydrophobicContact CD1-CB 3.93Å; I271-A295 HydrophobicContact CG2-CB 4.23Å; H291-A295 WeakPolarHBondContact O-CB 3.37Å; H291-A295 PolarHBondContact O-N 2.97Å; K292-A295 PolarHBondContact O-N 3.42Å; A295-G297 PolarHBondContact O-N 3.45Å |
| 296 | A | 83.1 | Confident | 76.5 | Confident | 66 Ų | 66 | 116.5 Ų | 116.5 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.9 | 31 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K292 R294 K298 | K292-A296 WeakPolarHBondContact O-CB 3.44Å; K292-A296 PolarHBondContact O-N 2.87Å; R294-A296 PolarHBondContact O-N 3.09Å; A296-K298 PolarHBondContact O-N 3.08Å |
| 297 | G | 68.9 | Low | 74.4 | Confident | 66 Ų | 66 | 123 Ų | 123 | 68% | 0.68 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.7 | 7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | R294 A295 P299 | R294-G297 PolarHBondContact O-N 3.09Å; A295-G297 PolarHBondContact O-N 3.45Å; G297-P299 WeakPolarHBondContact O-CD 3.24Å |
| 298 | K | 59.5 | Low | 72 | Confident | 153 Ų | 153 | 125.2 Ų | 125.2 | 67% | 0.665 | 63% | 0.632 | S | S | * | * | trans | -72.9 | 119.4 | 179.6 | -64 | -164.5 | -175.2 | -56.4 | 0 | 109 | A296 | A296-K298 PolarHBondContact O-N 3.08Š| ||
| 299 | P | 64.3 | Low | 69.7 | Low | 108 Ų | 108 | 133 Ų | 133 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | trans | -58.8 | 146.8 | 179.3 | 24.7 | -33.9 | 0 | 0 | 0 | 109.6 | G297 K301 | G297-P299 WeakPolarHBondContact O-CD 3.24Å; P299-K301 PolarHBondContact O-N 3.31Å | ||
| 300 | P | 60.9 | Low | 67.9 | Low | 117 Ų | 117 | 131.2 Ų | 131.2 | 76% | 0.76 | 67% | 0.665 | S | S | * | * | trans | -61.8 | 104.7 | -176.2 | 25.4 | -34 | 0 | 0 | 0 | 109.5 | ||||
| 301 | K | 59.4 | Low | 66 | Low | 191 Ų | 191 | 129.7 Ų | 129.7 | 83% | 0.83 | 67% | 0.667 | S | S | * | * | trans | -50.2 | 130.4 | 174 | -74.6 | -166.9 | 174.1 | -169.6 | 0 | 108.3 | P299 K303 | P299-K301 PolarHBondContact O-N 3.31Å; K301-K303 PolarHBondContact O-N 3.33Å | ||
| 302 | P | 68.3 | Low | 63.5 | Low | 127 Ų | 127 | 138.7 Ų | 138.7 | 83% | 0.825 | 71% | 0.706 | S | S | * | * | trans | -46.9 | 129.2 | 178.3 | -30.8 | 36.1 | 0 | 0 | 0 | 110.4 | Y304 | P302-Y304 PolarHBondContact O-N 2.81Š| ||
| 303 | K | 56.2 | Low | 61 | Low | 204 Ų | 204 | 137.9 Ų | 137.9 | 89% | 0.887 | 71% | 0.713 | S | S | * | * | trans | -57.6 | 114.1 | -170.7 | -68.5 | 176.2 | -176.9 | 170.6 | 0 | 109.1 | K301 S305 | K301-K303 PolarHBondContact O-N 3.33Å; K303-S305 PolarHBondContact O-N 3.33Å | ||
| 304 | Y | 51.1 | Low | 58.8 | Low | 208 Ų | 208 | 138.4 Ų | 138.4 | 82% | 0.816 | 73% | 0.728 | S | S | * | * | trans | -56.2 | 106.7 | 167 | 177.2 | -100.8 | 0 | 0 | 0 | 107.9 | P302 P306 | P302-Y304 PolarHBondContact O-N 2.81Å; Y304-P306 HydrophobicContact CE1-CB 4Å; Y304-P306 VanDerWaalsContact O-CD 3.24Å; Y304-P306 WeakPolarHBondContact O-CD 3.42Å | ||
| 305 | S | 56.4 | Low | 56.7 | Low | 75 Ų | 75 | 142 Ų | 142 | 52% | 0.524 | 75% | 0.75 | S | S | . | * | trans | -93 | 106.5 | 174.1 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | K303 Y307 | K303-S305 PolarHBondContact O-N 3.33Å; S305-Y307 PolarHBondContact O-N 2.96Å; S305-Y307 VanDerWaalsContact O-N 3.08Å; S305-Y307 PolarHBondContact OG-O 3.02Å | ||
| 306 | P | 61.5 | Low | 54.8 | Low | 94 Ų | 94 | 145 Ų | 145 | 61% | 0.61 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -71.3 | 6 | 175.3 | 30.4 | -35.4 | 0 | 0 | 0 | 113.3 | Y304 | Y304-P306 HydrophobicContact CE1-CB 4Å; Y304-P306 VanDerWaalsContact O-CD 3.24Å; Y304-P306 WeakPolarHBondContact O-CD 3.42Å |
| 307 | Y | 49.2 | Very low | 52.9 | Low | 217 Ų | 217 | 150.2 Ų | 150.2 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -134.3 | 78.3 | 170.6 | -85.1 | -84.2 | 0 | 0 | 0 | 110.8 | S305 | S305-Y307 PolarHBondContact O-N 2.96Å; S305-Y307 VanDerWaalsContact O-N 3.08Å; S305-Y307 PolarHBondContact OG-O 3.02Å | ||
| 308 | N | 45.2 | Very low | 51.8 | Low | 140 Ų | 140 | 150.8 Ų | 150.8 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | -147.4 | 58.6 | 151.9 | -161 | 3.2 | 0 | 0 | 0 | 111.1 | ||||
| 309 | K | 44.4 | Very low | 51.3 | Low | 203 Ų | 203 | 149 Ų | 149 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -96.2 | 153 | 158.4 | -89.1 | 174.8 | 172.5 | -85 | 0 | 107.9 | ||||
| 310 | L | 54.6 | Low | 50.3 | Low | 154 Ų | 154 | 152.8 Ų | 152.8 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | 78.9 | 53.9 | 167.5 | -152.4 | 74 | 0 | 0 | 0 | 118.1 | ||||
| 311 | Q | 48.7 | Very low | 49.7 | Very low | 188 Ų | 188 | 154 Ų | 154 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -136.8 | 77.1 | 142.9 | -75.2 | -161.5 | -5 | 0 | 0 | 110.7 | ||||
| 312 | K | 41.2 | Very low | 48.9 | Very low | 203 Ų | 203 | 151 Ų | 151 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -153.7 | 52.8 | 168.1 | -159.7 | 172.1 | 179.6 | 175 | 0 | 112.7 | ||||
| 313 | T | 40 | Very low | 47.7 | Very low | 124 Ų | 124 | 153.1 Ų | 153.1 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | trans | -152.5 | 94 | 176.7 | 43.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 314 | A | 45.1 | Very low | 47.4 | Very low | 91 Ų | 91 | 149.2 Ų | 149.2 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | 175.1 | 96.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | P316 | A314-P316 WeakPolarHBondContact O-CD 3.45Š| ||
| 315 | H | 45 | Very low | 47.4 | Very low | 203 Ų | 203 | 148.2 Ų | 148.2 | 94% | 0.94 | 79% | 0.788 | S | S | * | * | trans | -91.6 | 119.4 | 150.1 | -74.1 | -101.9 | 0 | 0 | 0 | 107.1 | ||||
| 316 | P | 48.7 | Very low | 46.8 | Very low | 112 Ų | 112 | 152.4 Ų | 152.4 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -116.5 | 154.6 | 150 | 35.4 | -28.1 | 0 | 0 | 0 | 110.7 | A314 G318 | A314-P316 WeakPolarHBondContact O-CD 3.45Å; P316-G318 PolarHBondContact O-N 3.17Å | ||
| 317 | L | 42.8 | Very low | 46.1 | Very low | 177 Ų | 177 | 152.4 Ų | 152.4 | 93% | 0.927 | 80% | 0.799 | S | S | * | * | trans | -68 | 124.4 | -176.4 | -61.3 | 165.3 | 0 | 0 | 0 | 110.9 | ||||
| 318 | G | 46.3 | Very low | 46 | Very low | 77 Ų | 77 | 146.4 Ų | 146.4 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -120.4 | 133 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P316 | P316-G318 PolarHBondContact O-N 3.17Š| ||
| 319 | V | 47.9 | Very low | 46.2 | Very low | 116 Ų | 116 | 149.1 Ų | 149.1 | 70% | 0.703 | 79% | 0.794 | S | S | * | * | trans | -128.4 | 143 | -159.7 | 164.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 320 | K | 43.8 | Very low | 46.2 | Very low | 187 Ų | 187 | 144.9 Ų | 144.9 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | 72.8 | 150.9 | 178 | -66.2 | 161.2 | -179.9 | -177.7 | 0 | 114.6 | ||||
| 321 | L | 47.5 | Very low | 46 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | cis | -161.9 | 164.8 | -7.5 | -113.2 | 162.8 | 0 | 0 | 0 | 109.7 | ||||
| 322 | V | 43.9 | Very low | 45.9 | Very low | 127 Ų | 127 | 141.2 Ų | 141.2 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | 68.1 | 141.7 | 150.5 | 155.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 323 | F | 41.8 | Very low | 46 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | cis | -170.9 | 127.8 | -21.8 | -174.5 | -95.1 | 0 | 0 | 0 | 108.9 | ||||
| 324 | S | 50.4 | Low | 46.4 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -158.8 | 79.7 | 173.5 | -79.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 325 | K | 51.8 | Low | 46.8 | Very low | 187 Ų | 187 | 143.5 Ų | 143.5 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | 31.5 | 86.7 | 134.9 | -157.8 | 169 | -175.8 | 179.3 | 0 | 119.8 | ||||
| 326 | E | 42.7 | Very low | 47.6 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | 35.2 | 145.1 | 98.5 | -135.6 | -101.1 | 155 | 0 | 0 | 118.4 | |||||
| 327 | P | 47 | Very low | 47.5 | Very low | 94 Ų | 94 | 141.4 Ų | 141.4 | 61% | 0.61 | 78% | 0.775 | S | S | * | * | cis | -134.6 | -158.3 | -27.5 | 44.7 | -28.8 | 0 | 0 | 0 | 112.9 | ||||
| 328 | S | 46.9 | Very low | 47.7 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | cis | -166.7 | 171.8 | 19 | 49.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 329 | K | 48.7 | Very low | 48.4 | Very low | 196 Ų | 196 | 141.2 Ų | 141.2 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | trans | 92.3 | 126.7 | 160.1 | -58.9 | -177.1 | -176 | 179.8 | 0 | 118.6 | ||||
| 330 | P | 45.6 | Very low | 48.3 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | trans | -134.2 | -166.6 | -167.2 | 32.4 | -6.8 | 0 | 0 | 0 | 116.2 | ||||
| 331 | L | 49.8 | Very low | 48.2 | Very low | 161 Ų | 161 | 139 Ų | 139 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | 81.4 | 109.6 | 163.5 | -64.4 | 127.6 | 0 | 0 | 0 | 120.5 | ||||
| 332 | A | 46.4 | Very low | 47.9 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | -175.6 | 117.8 | 122.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 333 | P | 44.3 | Very low | 47.7 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | trans | -126.2 | 134.8 | -176.3 | 38.1 | -25.3 | 0 | 0 | 0 | 116.5 | ||||
| 334 | R | 47.8 | Very low | 47.7 | Very low | 223 Ų | 223 | 132.3 Ų | 132.3 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | trans | -154 | 139.1 | 169 | -76.1 | -66.3 | 92.1 | 168.5 | 7 | 112.4 | ||||
| 335 | I | 54.5 | Low | 47.3 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | trans | 59.6 | 127.5 | 135.5 | -64.6 | 170.6 | 0 | 0 | 0 | 117.6 | ||||
| 336 | L | 60.6 | Low | 46.9 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | cis | -159.1 | 158.4 | 0.1 | -107.1 | 171.2 | 0 | 0 | 0 | 109.1 | ||||
| 337 | P | 47.9 | Very low | 46.8 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 168.6 | 172.8 | 37.5 | -31.3 | 0 | 0 | 0 | 114.8 | ||
| 338 | N | 46.3 | Very low | 46.6 | Very low | 138 Ų | 138 | 124.7 Ų | 124.7 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 139.6 | -171.2 | 178.2 | 81.5 | 0 | 0 | 0 | 116.1 | ||
| 339 | P | 60.5 | Low | 46.6 | Very low | 113 Ų | 113 | 127 Ų | 127 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 155.6 | 171.3 | 36.1 | -34.4 | 0 | 0 | 0 | 113.7 | ||
| 340 | L | 45.4 | Very low | 46.3 | Very low | 161 Ų | 161 | 122.2 Ų | 122.2 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -148.9 | 144 | 174.4 | -174 | 137.5 | 0 | 0 | 0 | 110.7 | ||||
| 341 | A | 41.8 | Very low | 46.6 | Very low | 96 Ų | 96 | 122.3 Ų | 122.3 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | 70.2 | 103.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 342 | A | 41.2 | Very low | 46.5 | Very low | 98 Ų | 98 | 119.9 Ų | 119.9 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -159.6 | 134.1 | 134.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 343 | A | 40.8 | Very low | 46.5 | Very low | 99 Ų | 99 | 120.5 Ų | 120.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | cis | 101.7 | 122.3 | 21.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 344 | A | 41.6 | Very low | 47.1 | Very low | 105 Ų | 105 | 120.3 Ų | 120.3 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | trans | 85.3 | 151.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 345 | A | 41.7 | Very low | 46.9 | Very low | 103 Ų | 103 | 118.7 Ų | 118.7 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | 84.2 | 142.9 | 158.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 346 | A | 43.3 | Very low | 46.4 | Very low | 101 Ų | 101 | 116.2 Ų | 116.2 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | 80.5 | 104.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 347 | A | 40.6 | Very low | 45.7 | Very low | 104 Ų | 104 | 116.9 Ų | 116.9 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | cis | 78.7 | 85.5 | 12.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 348 | A | 42.8 | Very low | 45.5 | Very low | 96 Ų | 96 | 123 Ų | 123 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | -159.3 | 118.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 349 | V | 46 | Very low | 45.4 | Very low | 140 Ų | 140 | 123 Ų | 123 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | 37 | 115 | 141.4 | -168.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 350 | A | 44.2 | Very low | 44.7 | Very low | 97 Ų | 97 | 122.3 Ų | 122.3 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | 160.7 | 149.5 | 125.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 351 | V | 50.1 | Low | 45.1 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 71% | 0.709 | 81% | 0.807 | S | S | * | * | cis | -170.5 | 135 | -42.2 | 125.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 352 | S | 47.8 | Very low | 44.9 | Very low | 110 Ų | 110 | 120.9 Ų | 120.9 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | 59.1 | 152.6 | 172.7 | 63.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 353 | S | 46.6 | Very low | 45 | Very low | 116 Ų | 116 | 120.3 Ų | 120.3 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | cis | -155.1 | 166.1 | -12 | -106 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 354 | P | 57.2 | Low | 45.2 | Very low | 98 Ų | 98 | 121.9 Ų | 121.9 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | trans | -105.2 | 171.9 | -165.7 | 40.6 | -36.3 | 0 | 0 | 0 | 115.4 | ||||
| 355 | F | 44.5 | Very low | 45.3 | Very low | 190 Ų | 190 | 123.9 Ų | 123.9 | 83% | 0.833 | 80% | 0.798 | S | S | * | * | 178.6 | 147.5 | 118.8 | -102 | -68 | 0 | 0 | 0 | 115.7 | |||||
| 356 | S | 44.3 | Very low | 45.5 | Very low | 89 Ų | 89 | 128.2 Ų | 128.2 | 62% | 0.622 | 80% | 0.798 | S | S | * | * | trans | 61.7 | 113.5 | 147.3 | -64 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 357 | L | 45.4 | Very low | 45.5 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | 48.8 | 128.3 | 121.4 | -57.3 | 165 | 0 | 0 | 0 | 119 | |||||
| 358 | R | 43.1 | Very low | 46 | Very low | 246 Ų | 246 | 132 Ų | 132 | 93% | 0.928 | 79% | 0.789 | S | S | * | * | -179.3 | 156.2 | 65.6 | -174.8 | 172.3 | -175.9 | 164.7 | 1.6 | 111.3 | |||||
| 359 | T | 43.6 | Very low | 46.5 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | -100.7 | 138.8 | 178.8 | 20.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 360 | A | 47.6 | Very low | 46.8 | Very low | 99 Ų | 99 | 130.4 Ų | 130.4 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -167.4 | 135.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 361 | P | 53 | Low | 47.5 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -122.7 | 139.3 | 170.5 | 37.1 | -25.6 | 0 | 0 | 0 | 113.8 | ||||
| 362 | A | 37.8 | Very low | 47.5 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | trans | 169 | 144.5 | 139.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 363 | A | 42.8 | Very low | 47.5 | Very low | 86 Ų | 86 | 133.9 Ų | 133.9 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | 68.7 | 150.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 364 | T | 45 | Very low | 47.7 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | 78.8 | 144 | 163.9 | 73.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 365 | L | 43.9 | Very low | 47.4 | Very low | 146 Ų | 146 | 135.9 Ų | 135.9 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | trans | 62.2 | 138.4 | 156.3 | -99.5 | 77.3 | 0 | 0 | 0 | 122.8 | ||||
| 366 | F | 46.3 | Very low | 47.7 | Very low | 194 Ų | 194 | 135.1 Ų | 135.1 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -49.2 | 146.2 | 152 | -48.2 | -105.8 | 0 | 0 | 0 | 112.2 | ||||
| 367 | Q | 43.4 | Very low | 48.5 | Very low | 177 Ų | 177 | 142 Ų | 142 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -162.8 | 137.4 | 130.8 | -108.3 | 172.3 | 24.6 | 0 | 0 | 114.3 | ||||
| 368 | T | 50.4 | Low | 49 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 66% | 0.663 | 80% | 0.804 | S | S | * | * | trans | -11 | 128.8 | 160.4 | 162 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 369 | S | 52.5 | Low | 49.3 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | -79.6 | 131.7 | 140.8 | 53.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 370 | A | 52.4 | Low | 50 | Low | 74 Ų | 74 | 131.3 Ų | 131.3 | 61% | 0.612 | 79% | 0.793 | S | S | * | * | trans | -112.4 | 156.8 | -160.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 371 | L | 60.4 | Low | 50.8 | Low | 160 Ų | 160 | 129.2 Ų | 129.2 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | 71.1 | 156.1 | 166.1 | -51.6 | 177.5 | 0 | 0 | 0 | 117.4 | ||||
| 372 | P | 49.1 | Very low | 51.3 | Low | 117 Ų | 117 | 129.5 Ų | 129.5 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | cis | -109.3 | 144.7 | -9 | 37.2 | -27.7 | 0 | 0 | 0 | 113.3 | A374 | P372-A374 PolarHBondContact O-N 2.92Š| ||
| 373 | P | 49 | Very low | 52 | Low | 121 Ų | 121 | 131.9 Ų | 131.9 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -83.9 | 114 | 174.1 | 32.4 | -31.8 | 0 | 0 | 0 | 111.8 | ||||
| 374 | A | 50.8 | Low | 52.8 | Low | 84 Ų | 84 | 138.8 Ų | 138.8 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | trans | -141 | 153 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P372 | P372-A374 PolarHBondContact O-N 2.92Š| ||
| 375 | L | 51 | Low | 53.2 | Low | 171 Ų | 171 | 138.1 Ų | 138.1 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | 68.3 | 33.5 | 179.8 | -48.6 | -176.6 | 0 | 0 | 0 | 116.8 | R377 | L375-R377 PolarHBondContact O-N 2.94Å; L375-R377 VanDerWaalsContact O-N 3.09Å | ||
| 376 | L | 50.4 | Low | 53.5 | Low | 175 Ų | 175 | 136 Ų | 136 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | trans | -65.2 | 102.6 | 147.6 | -79 | 175.5 | 0 | 0 | 0 | 108.6 | ||||
| 377 | R | 61 | Low | 54.1 | Low | 233 Ų | 233 | 134 Ų | 134 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | trans | -127.3 | 103.5 | 173.1 | -163.4 | 173.2 | -165.7 | 143.3 | 5.2 | 110.3 | L375 | L375-R377 PolarHBondContact O-N 2.94Å; L375-R377 VanDerWaalsContact O-N 3.09Å | ||
| 378 | P | 54.4 | Low | 54.8 | Low | 116 Ų | 116 | 130.6 Ų | 130.6 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | -76.5 | 171.9 | 173 | 33 | -34.8 | 0 | 0 | 0 | 111.4 | ||||
| 379 | A | 50.2 | Low | 55.5 | Low | 93 Ų | 93 | 131.5 Ų | 131.5 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | 69.7 | 155.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 380 | P | 59.3 | Low | 56.1 | Low | 117 Ų | 117 | 130.4 Ų | 130.4 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | cis | -100.4 | 151.5 | 2.5 | 10.4 | 11.3 | 0 | 0 | 0 | 114.2 | ||||
| 381 | G | 62.9 | Low | 56.7 | Low | 54 Ų | 54 | 134.9 Ų | 134.9 | 56% | 0.557 | 78% | 0.78 | S | S | * | * | trans | -75.6 | 175.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I383 | G381-I383 PolarHBondContact O-N 2.99Š| ||
| 382 | P | 64 | Low | 56.9 | Low | 133 Ų | 133 | 136.3 Ų | 136.3 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -68.9 | 101.5 | 179.3 | 28.6 | -34.2 | 0 | 0 | 0 | 111 | R384 | P382-R384 PolarHBondContact O-N 3.33Š| ||
| 383 | I | 53.5 | Low | 57.6 | Low | 150 Ų | 150 | 134.8 Ų | 134.8 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -64.3 | 101.2 | 175.4 | -58.5 | 176.1 | 0 | 0 | 0 | 108.9 | G381 T385 | G381-I383 PolarHBondContact O-N 2.99Å; I383-T385 PolarHBondContact O-N 2.9Å | ||
| 384 | R | 58 | Low | 58.8 | Low | 231 Ų | 231 | 135.1 Ų | 135.1 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -70.6 | 120.6 | 161.9 | -85.3 | -173.8 | 159 | -145.7 | -3.5 | 108.4 | P382 A386 | P382-R384 PolarHBondContact O-N 3.33Å; R384-A386 PolarHBondContact O-N 2.95Å | ||
| 385 | T | 54.5 | Low | 59.4 | Low | 118 Ų | 118 | 145.5 Ų | 145.5 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | trans | -72.3 | 72.8 | 167.6 | 38.6 | 0 | 0 | 0 | 0 | 110.6 | I383 H387 | I383-T385 PolarHBondContact O-N 2.9Å; T385-H387 PolarHBondContact O-N 3.34Å; T385-H387 PolarHBondContact O-ND1 3.4Å | ||
| 386 | A | 50.4 | Low | 59.9 | Low | 103 Ų | 103 | 144.2 Ų | 144.2 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -62.5 | 118.3 | 164 | 0 | 0 | 0 | 0 | 0 | 108.5 | R384 | R384-A386 PolarHBondContact O-N 2.95Š| ||
| 387 | H | 57.8 | Low | 60.4 | Low | 152 Ų | 152 | 142.6 Ų | 142.6 | 70% | 0.704 | 79% | 0.791 | S | S | * | * | trans | -127.5 | 127.5 | 175.7 | 49.6 | -76.7 | 0 | 0 | 0 | 109.3 | T385 | T385-H387 PolarHBondContact O-N 3.34Å; T385-H387 PolarHBondContact O-ND1 3.4Å | ||
| 388 | T | 59.6 | Low | 60.3 | Low | 105 Ų | 105 | 137.6 Ų | 137.6 | 64% | 0.644 | 79% | 0.787 | S | S | * | * | trans | 45.3 | 92.8 | 163.2 | 56.9 | 0 | 0 | 0 | 0 | 117.3 | V390 | T388-V390 VanDerWaalsContact C-N 3.33Å; T388-V390 PolarHBondContact O-N 2.86Å | ||
| 389 | P | 65 | Low | 60.7 | Low | 127 Ų | 127 | 138.8 Ų | 138.8 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -67.7 | 95.7 | 150 | 30.7 | -31.2 | 0 | 0 | 0 | 108.4 | L391 | P389-L391 PolarHBondContact O-N 3.23Š| ||
| 390 | V | 64.3 | Low | 61.3 | Low | 105 Ų | 105 | 141.7 Ų | 141.7 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | trans | -77 | 93.9 | 174.9 | -174.4 | 0 | 0 | 0 | 0 | 108.6 | T388 F392 | T388-V390 VanDerWaalsContact C-N 3.33Å; T388-V390 PolarHBondContact O-N 2.86Å; V390-F392 HydrophobicContact CG1-CD2 3.75Å; V390-F392 HydrophobicContact CG1-CE2 4.02Å; V390-F392 PolarHBondContact O-N 3.42Å; V390-F392 VanDerWaalsContact O-N 3.15Å | ||
| 391 | L | 64.7 | Low | 61.5 | Low | 168 Ų | 168 | 143.3 Ų | 143.3 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | -71.4 | 98.4 | 167 | -82.6 | 165.8 | 0 | 0 | 0 | 109.4 | P389 | P389-L391 PolarHBondContact O-N 3.23Š| ||
| 392 | F | 65.3 | Low | 61.4 | Low | 189 Ų | 189 | 149.7 Ų | 149.7 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | trans | -89.7 | 108.5 | 154.3 | -98.3 | -81.5 | 0 | 0 | 0 | 108.3 | V390 | V390-F392 HydrophobicContact CG1-CD2 3.75Å; V390-F392 HydrophobicContact CG1-CE2 4.02Å; V390-F392 PolarHBondContact O-N 3.42Å; V390-F392 VanDerWaalsContact O-N 3.15Å | ||
| 393 | A | 62.6 | Low | 61.2 | Low | 86 Ų | 86 | 151 Ų | 151 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | -71.5 | 138.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 394 | P | 76 | Confident | 61.8 | Low | 128 Ų | 128 | 151.1 Ų | 151.1 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | trans | -75.7 | 141.3 | 169.5 | 32 | -33 | 0 | 0 | 0 | 110.5 | ||||
| 395 | Y | 63.5 | Low | 62.1 | Low | 301 Ų | 301 | 143.8 Ų | 143.8 | 100% | 1.18 | 80% | 0.801 | S | S | * | * | trans | -143.4 | 0 | 160.2 | -160 | -75.9 | 0 | 0 | 0 | 107.3 |
Retrieved 395 of 395 residues in 321 ms
(Link to these results)