| 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 | H | 35.2 | Very low | 37.8 | Very low | 248 Ų | 248 | 144.3 Ų | 144.3 | 100% | 1.148 | 77% | 0.771 | S | S | * | * | 0 | 93.1 | 0 | -72.4 | -88.2 | 0 | 0 | 0 | 109 | |||||
| 2 | Q | 33.7 | Very low | 38.1 | Very low | 191 Ų | 191 | 138.9 Ų | 138.9 | 89% | 0.893 | 75% | 0.75 | S | S | * | * | trans | -99.1 | 121 | 168.3 | -91.2 | 179.5 | 7 | 0 | 0 | 107.3 | Q4 | Q2-Q4 PolarHBondContact O-N 3.3Š| ||
| 3 | M | 33.3 | Very low | 38.6 | Very low | 190 Ų | 190 | 137.2 Ų | 137.2 | 94% | 0.936 | 75% | 0.754 | S | S | * | * | trans | -77.4 | 115.2 | 174.7 | -65.6 | -177.5 | 174.6 | 0 | 0 | 108.1 | S5 | M3-S5 PolarHBondContact O-N 3.16Š| ||
| 4 | Q | 33.7 | Very low | 39.1 | Very low | 186 Ų | 186 | 134.4 Ų | 134.4 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | trans | -73.2 | 111.3 | 170.4 | -71.3 | 175.6 | 17.7 | 0 | 0 | 108 | Q2 N6 | Q2-Q4 PolarHBondContact O-N 3.3Å; Q4-N6 PolarHBondContact O-N 2.91Å | ||
| 5 | S | 38.5 | Very low | 39.5 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | trans | -67.6 | 110.1 | 166.2 | 38.3 | 0 | 0 | 0 | 0 | 108.5 | M3 L7 | M3-S5 PolarHBondContact O-N 3.16Å; S5-L7 PolarHBondContact O-N 2.81Å | ||
| 6 | N | 34.5 | Very low | 39.6 | Very low | 159 Ų | 159 | 129.6 Ų | 129.6 | 85% | 0.85 | 72% | 0.719 | S | S | * | * | trans | -62 | 105.7 | 170 | -114.8 | -83 | 0 | 0 | 0 | 108.2 | Q4 K8 | Q4-N6 PolarHBondContact O-N 2.91Å; N6-K8 PolarHBondContact O-N 3.32Å | ||
| 7 | L | 42.3 | Very low | 39.9 | Very low | 153 Ų | 153 | 128.9 Ų | 128.9 | 80% | 0.801 | 73% | 0.725 | S | S | * | * | trans | -68 | 101.6 | 171.9 | -72.7 | 161.4 | 0 | 0 | 0 | 107.9 | S5 P9 | S5-L7 PolarHBondContact O-N 2.81Å; L7-P9 WeakPolarHBondContact O-CD 3.42Å; L7-P9 VanDerWaalsContact O-N 3.15Å | ||
| 8 | K | 40.4 | Very low | 39.6 | Very low | 94 Ų | 94 | 125.1 Ų | 125.1 | 41% | 0.409 | 72% | 0.72 | S | S | . | * | trans | -57.7 | 109.2 | 171.9 | -145.1 | 150.1 | 166.3 | 171.4 | 0 | 107.1 | N6 G10 L321 E324 D325 | N6-K8 PolarHBondContact O-N 3.32Å; K8-G10 PolarHBondContact O-N 2.91Å; K8-L321 HydrophobicContact CD-CD1 4.37Å; K8-L321 HydrophobicContact CD-CD2 4.37Å; K8-L321 VanDerWaalsContact CE-CB 3.49Å; K8-L321 HydrophobicContact CG-CD1 4Å; K8-E324 IonicContact NZ-OE2 3.98Å; K8-E324 PolarHBondContact NZ-OE2 3.08Å; K8-D325 IonicContact NZ-OD1 2.82Å | ||
| 9 | P | 38.8 | Very low | 39.9 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 75% | 0.753 | 73% | 0.725 | S | S | * | * | trans | -78.9 | 127.5 | -171.1 | 29 | -29.7 | 0 | 0 | 0 | 110.5 | L7 | L7-P9 WeakPolarHBondContact O-CD 3.42Å; L7-P9 VanDerWaalsContact O-N 3.15Å | ||
| 10 | G | 39.5 | Very low | 39.5 | Very low | 82 Ų | 82 | 127.9 Ų | 127.9 | 85% | 0.845 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 80.1 | 34.8 | 152.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | K8 | K8-G10 PolarHBondContact O-N 2.91Š|
| 11 | W | 45.3 | Very low | 39.7 | Very low | 63 Ų | 63 | 130.8 Ų | 130.8 | 24% | 0.239 | 74% | 0.737 | C | S | . | * | trans | -98.1 | 143.9 | 166 | -72.6 | 65.2 | 0 | 0 | 0 | 109.8 | S13 R318 L321 L322 L344 | W11-S13 PolarHBondContact O-N 3.34Å; W11-R318 HydrophobicContact CH2-CB 3.87Å; W11-R318 HydrophobicContact CH2-CG 4.38Å; W11-R318 HydrophobicContact CZ2-CB 3.59Å; W11-R318 HydrophobicContact CZ2-CG 3.77Å; W11-L321 HydrophobicContact CZ2-CB 4.24Å; W11-L321 HydrophobicContact CZ2-CD1 4.13Å; W11-L322 HydrophobicContact CH2-CD1 3.86Å; W11-L322 HydrophobicContact CH2-CD2 3.98Å; W11-L322 HydrophobicContact CH2-CG 3.58Å; W11-L322 HydrophobicContact CZ3-CD1 4.18Å; W11-L322 HydrophobicContact CZ3-CD2 3.66Å; W11-L322 HydrophobicContact CZ3-CG 3.82Å; W11-L344 HydrophobicContact CE3-CD1 4.19Å; W11-L344 HydrophobicContact CZ3-CD1 4Å; W11-L344 HydrophobicContact CZ3-CD2 4.31Å | ||
| 12 | P | 41.6 | Very low | 39.5 | Very low | 80 Ų | 80 | 121.5 Ų | 121.5 | 52% | 0.519 | 71% | 0.708 | S | S | . | * | trans | -58.7 | 113.5 | 173.5 | 25.2 | -32.2 | 0 | 0 | 0 | 108.2 | T14 | P12-T14 PolarHBondContact O-N 3.4Š| ||
| 13 | S | 45.3 | Very low | 39.4 | Very low | 116 Ų | 116 | 119.1 Ų | 119.1 | 81% | 0.811 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -62.8 | 12.2 | -179.9 | -53.8 | 0 | 0 | 0 | 0 | 114.1 | W11 C15 | W11-S13 PolarHBondContact O-N 3.34Å; S13-C15 VanDerWaalsContact C-N 3.26Å; S13-C15 PolarHBondContact O-N 2.79Å |
| 14 | T | 45.4 | Very low | 39.5 | Very low | 98 Ų | 98 | 122 Ų | 122 | 60% | 0.601 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -77.6 | -7.6 | -175.1 | 54 | 0 | 0 | 0 | 0 | 113.6 | P12 | P12-T14 PolarHBondContact O-N 3.4Š|
| 15 | C | 44.6 | Very low | 39.9 | Very low | 47 Ų | 47 | 119.3 Ų | 119.3 | 32% | 0.318 | 69% | 0.693 | S | S | . | * | G | 310 helix | trans | -109 | -2.9 | -174 | -53.7 | 0 | 0 | 0 | 0 | 115 | S13 C340 | S13-C15 VanDerWaalsContact C-N 3.26Å; S13-C15 PolarHBondContact O-N 2.79Å; C15-C340 HydrophobicContact CB-CB 4Å; C15-C340 WeakPolarHBondContact CB-SG 3.5Å; C15-C340 WeakPolarHBondContact SG-CB 3.25Å; C15-C340 CovalentContact SG-SG 2.04Å; C15-C340 PolarHBondContact SG-SG 3.16Å |
| 16 | N | 41.4 | Very low | 39.5 | Very low | 145 Ų | 145 | 120.3 Ų | 120.3 | 78% | 0.775 | 70% | 0.701 | S | S | * | * | trans | -90 | 111.2 | 177.6 | -158 | -6.4 | 0 | 0 | 0 | 111.1 | G18 | N16-G18 PolarHBondContact O-N 3.22Š| ||
| 17 | S | 44.6 | Very low | 39.5 | Very low | 118 Ų | 118 | 117.2 Ų | 117.2 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | trans | -80.4 | 91.1 | 171.2 | -80.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 18 | G | 35.2 | Very low | 39.4 | Very low | 61 Ų | 61 | 118.9 Ų | 118.9 | 63% | 0.629 | 70% | 0.703 | S | S | * | * | trans | -138.1 | 88.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | N16 N20 | N16-G18 PolarHBondContact O-N 3.22Å; G18-N20 PolarHBondContact O-N 3.03Å | ||
| 19 | N | 45.7 | Very low | 39.6 | Very low | 153 Ų | 153 | 121.2 Ų | 121.2 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | trans | 10.3 | 97.1 | 158.8 | -155.5 | 25.2 | 0 | 0 | 0 | 117 | ||||
| 20 | N | 31.3 | Very low | 39.8 | Very low | 153 Ų | 153 | 119 Ų | 119 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | trans | -154.8 | 120.1 | 152.8 | -131.4 | -82.9 | 0 | 0 | 0 | 112 | G18 G22 | G18-N20 PolarHBondContact O-N 3.03Å; N20-G22 PolarHBondContact O-N 2.71Å; N20-G22 VanDerWaalsContact O-N 3.11Å | ||
| 21 | H | 42.7 | Very low | 40.2 | Very low | 189 Ų | 189 | 120.5 Ų | 120.5 | 88% | 0.875 | 71% | 0.706 | S | S | * | * | trans | -62.1 | 103.8 | 166.9 | -91.4 | -129 | 0 | 0 | 0 | 109.2 | ||||
| 22 | G | 31.6 | Very low | 40.3 | Very low | 53 Ų | 53 | 126.1 Ų | 126.1 | 55% | 0.546 | 74% | 0.735 | S | S | . | * | trans | -134.7 | 115.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N20 W24 | N20-G22 PolarHBondContact O-N 2.71Å; N20-G22 VanDerWaalsContact O-N 3.11Å; G22-W24 PolarHBondContact O-N 2.84Å | ||
| 23 | N | 31.3 | Very low | 40.1 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | trans | -37.3 | 115.3 | 176.4 | -173.7 | 13.6 | 0 | 0 | 0 | 114.9 | N25 | N23-N25 VanDerWaalsContact C-N 3.3Å; N23-N25 PolarHBondContact O-N 2.79Å; N23-N25 PolarHBondContact OD1-ND2 3.5Å | ||
| 24 | W | 35 | Very low | 40.2 | Very low | 250 Ų | 250 | 132.8 Ų | 132.8 | 95% | 0.947 | 75% | 0.75 | S | S | * | * | trans | -80 | 69.9 | 173.1 | -73 | 85.1 | 0 | 0 | 0 | 111.7 | G22 | G22-W24 PolarHBondContact O-N 2.84Š| ||
| 25 | N | 42.2 | Very low | 40.6 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | trans | -142.2 | 87 | 163.9 | -82.5 | -68.5 | 0 | 0 | 0 | 109.4 | N23 | N23-N25 VanDerWaalsContact C-N 3.3Å; N23-N25 PolarHBondContact O-N 2.79Å; N23-N25 PolarHBondContact OD1-ND2 3.5Å | ||
| 26 | S | 30.6 | Very low | 40.7 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | -158.2 | 126.6 | 154.2 | -81.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 27 | A | 35.7 | Very low | 41.5 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | trans | -58.9 | 145.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D29 | A27-D29 VanDerWaalsContact C-N 3.3Å; A27-D29 PolarHBondContact O-N 3.5Å | ||
| 28 | M | 39.1 | Very low | 41.9 | Very low | 188 Ų | 188 | 135.1 Ų | 135.1 | 93% | 0.926 | 77% | 0.765 | S | S | * | * | trans | -66.4 | 92.4 | 158.1 | -68.9 | -162.4 | 178.8 | 0 | 0 | 108.5 | A30 | M28-A30 VanDerWaalsContact C-N 3.34Å; M28-A30 PolarHBondContact O-N 2.97Å; M28-A30 VanDerWaalsContact O-N 3.16Å | ||
| 29 | D | 43.9 | Very low | 43 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | trans | -80.2 | 88.3 | 166.7 | -161 | -97.3 | 0 | 0 | 0 | 108.1 | A27 | A27-D29 VanDerWaalsContact C-N 3.3Å; A27-D29 PolarHBondContact O-N 3.5Å | ||
| 30 | A | 44.2 | Very low | 43.3 | Very low | 69 Ų | 69 | 138.9 Ų | 138.9 | 57% | 0.57 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 140.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | M28 Q32 | M28-A30 VanDerWaalsContact C-N 3.34Å; M28-A30 PolarHBondContact O-N 2.97Å; M28-A30 VanDerWaalsContact O-N 3.16Å; A30-Q32 PolarHBondContact O-N 3.45Å |
| 31 | P | 46.9 | Very low | 44.1 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 116.4 | 178.3 | 22.3 | -31.1 | 0 | 0 | 0 | 109.6 | Y33 | P31-Y33 PolarHBondContact O-N 3.2Å; P31-Y33 VanDerWaalsContact O-N 3.16Å |
| 32 | Q | 47.5 | Very low | 44.3 | Very low | 181 Ų | 181 | 142 Ų | 142 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 117.1 | 177.1 | -72.3 | -170 | 5.5 | 0 | 0 | 109.9 | A30 | A30-Q32 PolarHBondContact O-N 3.45Š|
| 33 | Y | 37.9 | Very low | 44.9 | Very low | 206 Ų | 206 | 145.2 Ų | 145.2 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 124.8 | 163.7 | -99.5 | -91.4 | 0 | 0 | 0 | 108.8 | P31 G35 | P31-Y33 PolarHBondContact O-N 3.2Å; P31-Y33 VanDerWaalsContact O-N 3.16Å; Y33-G35 PolarHBondContact O-N 3.1Å; Y33-G35 VanDerWaalsContact O-N 3.14Å |
| 34 | P | 48.3 | Very low | 45.4 | Very low | 129 Ų | 129 | 146.5 Ų | 146.5 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 115.7 | 177.4 | -12.2 | 25.9 | 0 | 0 | 0 | 109.3 | ||
| 35 | G | 53.8 | Low | 45.8 | Very low | 73 Ų | 73 | 140.2 Ų | 140.2 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 128.9 | -6.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | Y33 | Y33-G35 PolarHBondContact O-N 3.1Å; Y33-G35 VanDerWaalsContact O-N 3.14Å |
| 36 | Y | 46.2 | Very low | 45.9 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 74% | 0.737 | 76% | 0.757 | S | S | * | * | trans | -123.8 | 126.5 | 176.6 | -83.6 | -88.7 | 0 | 0 | 0 | 111.8 | ||||
| 37 | P | 59.1 | Low | 46.7 | Very low | 81 Ų | 81 | 141.2 Ų | 141.2 | 53% | 0.526 | 76% | 0.755 | S | S | . | * | trans | -79.9 | 147.5 | 179.7 | -1 | 19.3 | 0 | 0 | 0 | 111.4 | H39 | P37-H39 VanDerWaalsContact CB-CE1 3.45Å; P37-H39 WeakPolarHBondContact CB-CE1 3Å; P37-H39 WeakPolarHBondContact CB-ND1 3.5Å; P37-H39 PolarHBondContact O-N 3.41Å; P37-H39 PolarHBondContact O-ND1 3.44Å | ||
| 38 | S | 51.8 | Low | 46.9 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 0.6 | -165.9 | -172.6 | 0 | 0 | 0 | 0 | 117.9 | ||
| 39 | H | 58 | Low | 46.7 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 54% | 0.542 | 74% | 0.74 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.5 | -2 | -173.1 | 58.5 | -76.2 | 0 | 0 | 0 | 113.8 | P37 | P37-H39 VanDerWaalsContact CB-CE1 3.45Å; P37-H39 WeakPolarHBondContact CB-CE1 3Å; P37-H39 WeakPolarHBondContact CB-ND1 3.5Å; P37-H39 PolarHBondContact O-N 3.41Å; P37-H39 PolarHBondContact O-ND1 3.44Å |
| 40 | Y | 52.5 | Low | 46.8 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -81.7 | -23.7 | -179 | -113.3 | -93.6 | 0 | 0 | 0 | 114.1 | ||
| 41 | W | 48.1 | Very low | 46.4 | Very low | 223 Ų | 223 | 146.9 Ų | 146.9 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -98 | -13.3 | -175.4 | -68.4 | 105.9 | 0 | 0 | 0 | 114.1 | ||
| 42 | Y | 46.3 | Very low | 45.9 | Very low | 185 Ų | 185 | 145.3 Ų | 145.3 | 73% | 0.725 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -142.4 | 112.4 | 176.5 | -72.1 | -84.1 | 0 | 0 | 0 | 109.4 | Q44 | Y42-Q44 PolarHBondContact O-N 3.1Š|
| 43 | P | 43.7 | Very low | 45.2 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | -64.3 | 123.1 | 169.2 | 24.8 | -29 | 0 | 0 | 0 | 108.7 | S45 | P43-S45 PolarHBondContact O-N 2.94Å; P43-S45 VanDerWaalsContact O-N 3.16Å | ||
| 44 | Q | 42.8 | Very low | 45.4 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | trans | -57.6 | 117.1 | 174.2 | -163.1 | 133.1 | -20.8 | 0 | 0 | 108.9 | Y42 H46 | Y42-Q44 PolarHBondContact O-N 3.1Å; Q44-H46 PolarHBondContact O-N 3.35Å; Q44-H46 PolarHBondContact O-ND1 2.81Å; Q44-H46 VanDerWaalsContact O-ND1 3.09Å | ||
| 45 | S | 44 | Very low | 44.8 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | -62.4 | 94.2 | 177.1 | 39.1 | 0 | 0 | 0 | 0 | 109.9 | P43 | P43-S45 PolarHBondContact O-N 2.94Å; P43-S45 VanDerWaalsContact O-N 3.16Å | ||
| 46 | H | 42.9 | Very low | 44.1 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | trans | -79.3 | 115.3 | 164.7 | 45.2 | -83.7 | 0 | 0 | 0 | 107.7 | Q44 T48 | Q44-H46 PolarHBondContact O-N 3.35Å; Q44-H46 PolarHBondContact O-ND1 2.81Å; Q44-H46 VanDerWaalsContact O-ND1 3.09Å; H46-T48 PolarHBondContact O-N 3.47Å | ||
| 47 | S | 47.9 | Very low | 43.8 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -63 | 97.3 | 164.2 | -77.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 48 | T | 39.4 | Very low | 42.6 | Very low | 127 Ų | 127 | 143 Ų | 143 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | -163.3 | 129.6 | 153.6 | -34.4 | 0 | 0 | 0 | 0 | 111.8 | H46 | H46-T48 PolarHBondContact O-N 3.47Š| ||
| 49 | G | 36.3 | Very low | 42.1 | Very low | 59 Ų | 59 | 143 Ų | 143 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | 93.5 | 121.7 | 130 | 0 | 0 | 0 | 0 | 0 | 118.5 | Y51 | G49-Y51 PolarHBondContact O-N 2.98Š| |||
| 50 | H | 46 | Very low | 41.2 | Very low | 198 Ų | 198 | 144.1 Ų | 144.1 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | trans | -30.4 | 111.9 | 168.3 | -55.8 | -81.9 | 0 | 0 | 0 | 115.5 | ||||
| 51 | Y | 34.7 | Very low | 40.6 | Very low | 229 Ų | 229 | 141.7 Ų | 141.7 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | -93.6 | 112.7 | 155.6 | -110.8 | -93.9 | 0 | 0 | 0 | 108.8 | G49 | G49-Y51 PolarHBondContact O-N 2.98Š| ||
| 52 | A | 37.4 | Very low | 39.9 | Very low | 81 Ų | 81 | 139.4 Ų | 139.4 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | trans | -70.3 | 124.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | T54 | A52-T54 PolarHBondContact O-N 3.24Š| ||
| 53 | N | 32.7 | Very low | 39.3 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | -67.1 | 111.5 | 166.6 | -86.3 | -48.2 | 0 | 0 | 0 | 108.8 | Y55 | N53-Y55 PolarHBondContact O-N 3.44Š| ||
| 54 | T | 40.8 | Very low | 39 | Very low | 132 Ų | 132 | 142 Ų | 142 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -96.4 | 79.8 | 166.1 | -43.7 | 0 | 0 | 0 | 0 | 108.6 | A52 | A52-T54 PolarHBondContact O-N 3.24Š| ||
| 55 | Y | 36.2 | Very low | 38.3 | Very low | 209 Ų | 209 | 144.1 Ų | 144.1 | 82% | 0.82 | 80% | 0.797 | S | S | * | * | trans | -124.3 | 127 | 157.6 | -92.5 | -86.1 | 0 | 0 | 0 | 107.9 | N53 S57 | N53-Y55 PolarHBondContact O-N 3.44Å; Y55-S57 PolarHBondContact O-N 2.94Å | ||
| 56 | P | 39.9 | Very low | 37.9 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 125 | 175.3 | 27.2 | -29.8 | 0 | 0 | 0 | 109.2 | G58 | P56-G58 PolarHBondContact O-N 3.2Å; P56-G58 VanDerWaalsContact O-N 3.15Å |
| 57 | S | 38.5 | Very low | 38 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 116.6 | 169.9 | -60 | 0 | 0 | 0 | 0 | 109.6 | Y55 S59 | Y55-S57 PolarHBondContact O-N 2.94Å; S57-S59 PolarHBondContact O-N 3.04Å |
| 58 | G | 35.1 | Very low | 37.3 | Very low | 72 Ų | 72 | 142.6 Ų | 142.6 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 129.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | P56 D60 | P56-G58 PolarHBondContact O-N 3.2Å; P56-G58 VanDerWaalsContact O-N 3.15Å; G58-D60 PolarHBondContact O-N 3.1Å |
| 59 | S | 41.4 | Very low | 37.3 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | -61.6 | 115.9 | 174.8 | -42.6 | 0 | 0 | 0 | 0 | 110 | S57 V61 | S57-S59 PolarHBondContact O-N 3.04Å; S59-V61 PolarHBondContact O-N 3.08Å; S59-V61 VanDerWaalsContact O-N 3.16Å | ||
| 60 | D | 39.2 | Very low | 37.4 | Very low | 141 Ų | 141 | 148.8 Ų | 148.8 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -69.8 | 102.9 | 166.8 | -160.4 | -86.8 | 0 | 0 | 0 | 108 | G58 Q62 | G58-D60 PolarHBondContact O-N 3.1Å; D60-Q62 PolarHBondContact O-N 2.73Å | ||
| 61 | V | 39.3 | Very low | 37.6 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -82.5 | 97.5 | 162.7 | 156.2 | 0 | 0 | 0 | 0 | 106.5 | S59 Q63 | S59-V61 PolarHBondContact O-N 3.08Å; S59-V61 VanDerWaalsContact O-N 3.16Å; V61-Q63 PolarHBondContact O-N 3.21Å | ||
| 62 | Q | 33 | Very low | 37.5 | Very low | 175 Ų | 175 | 138.6 Ų | 138.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -66.8 | 111.2 | 171.3 | -137.6 | 179.2 | -17 | 0 | 0 | 108.8 | D60 Q64 | D60-Q62 PolarHBondContact O-N 2.73Å; Q62-Q64 PolarHBondContact O-N 2.92Å | ||
| 63 | Q | 35.3 | Very low | 37.2 | Very low | 175 Ų | 175 | 138.2 Ų | 138.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -65 | 117.3 | 171 | -78.7 | -85.2 | 24.4 | 0 | 0 | 109.7 | V61 Y65 | V61-Q63 PolarHBondContact O-N 3.21Å; Q63-Y65 PolarHBondContact O-N 3.48Å; Q63-Y65 VanDerWaalsContact O-N 3.1Å | ||
| 64 | Q | 35.6 | Very low | 37.3 | Very low | 187 Ų | 187 | 141.9 Ų | 141.9 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -74.6 | 94.1 | 175.1 | -171.9 | 150.2 | -86.1 | 0 | 0 | 109.8 | Q62 N66 | Q62-Q64 PolarHBondContact O-N 2.92Å; Q64-N66 PolarHBondContact O-N 3.43Å | ||
| 65 | Y | 29 | Very low | 37.9 | Very low | 210 Ų | 210 | 140.5 Ų | 140.5 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -80.1 | 111.7 | 172.8 | -169.7 | -97 | 0 | 0 | 0 | 110.2 | Q63 P67 | Q63-Y65 PolarHBondContact O-N 3.48Å; Q63-Y65 VanDerWaalsContact O-N 3.1Å; Y65-P67 HydrophobicContact CE1-CB 4.39Å | ||
| 66 | N | 35.8 | Very low | 38 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 60% | 0.599 | 79% | 0.79 | S | S | * | * | trans | -101.4 | 112.9 | 175.3 | -179.8 | 42.5 | 0 | 0 | 0 | 109.9 | Q64 Q68 | Q64-N66 PolarHBondContact O-N 3.43Å; N66-Q68 PolarHBondContact O-N 3.43Å | ||
| 67 | P | 44.6 | Very low | 37.6 | Very low | 90 Ų | 90 | 135.5 Ų | 135.5 | 58% | 0.584 | 78% | 0.781 | S | S | * | * | trans | -86.3 | 104.3 | 165.8 | 29.2 | -26.8 | 0 | 0 | 0 | 110.5 | Y65 V69 | Y65-P67 HydrophobicContact CE1-CB 4.39Å; P67-V69 PolarHBondContact O-N 2.98Å | ||
| 68 | Q | 33.6 | Very low | 37.7 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 117.7 | 163.2 | -80 | -93.7 | -33.6 | 0 | 0 | 109.7 | N66 | N66-Q68 PolarHBondContact O-N 3.43Š|
| 69 | V | 38.8 | Very low | 37.6 | Very low | 132 Ų | 132 | 139.5 Ų | 139.5 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 128.7 | 169.6 | -76.2 | 0 | 0 | 0 | 0 | 109.5 | P67 | P67-V69 PolarHBondContact O-N 2.98Š|
| 70 | M | 38.9 | Very low | 37.3 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -100 | 143.6 | 165 | -76.9 | -139.4 | -177.5 | 0 | 0 | 111 | ||
| 71 | P | 50.3 | Low | 37.1 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -106 | 157.2 | -169.5 | 39.3 | -32 | 0 | 0 | 0 | 114.2 | ||||
| 72 | G | 32.5 | Very low | 36.8 | Very low | 84 Ų | 84 | 145.3 Ų | 145.3 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | 128.2 | 134.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 73 | G | 30.8 | Very low | 36.7 | Very low | 74 Ų | 74 | 142.2 Ų | 142.2 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | cis | 178.2 | 138.8 | 2.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 74 | Y | 34.6 | Very low | 36.8 | Very low | 234 Ų | 234 | 138.4 Ų | 138.4 | 92% | 0.918 | 79% | 0.786 | S | S | * | * | trans | -67.3 | -174.2 | 178.3 | -71.4 | -90.6 | 0 | 0 | 0 | 113 | ||||
| 75 | P | 54.1 | Low | 36.8 | Very low | 104 Ų | 104 | 137.3 Ų | 137.3 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | cis | -143.3 | -173.4 | 3.2 | 23.3 | 4.4 | 0 | 0 | 0 | 117.3 | ||||
| 76 | N | 37.4 | Very low | 37.1 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | trans | 96.3 | 128.2 | 160.7 | -71.7 | -41.8 | 0 | 0 | 0 | 116.6 | ||||
| 77 | G | 32.3 | Very low | 37.1 | Very low | 58 Ų | 58 | 136.5 Ų | 136.5 | 60% | 0.598 | 79% | 0.785 | S | S | * | * | cis | 156.5 | 150.1 | 6.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 78 | H | 39.2 | Very low | 36.6 | Very low | 202 Ų | 202 | 142.8 Ų | 142.8 | 94% | 0.935 | 80% | 0.799 | S | S | * | * | trans | 85.4 | 104.4 | -177.7 | -61.1 | -92.6 | 0 | 0 | 0 | 115.2 | ||||
| 79 | G | 34.8 | Very low | 37.2 | Very low | 72 Ų | 72 | 141.1 Ų | 141.1 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | 96.3 | 129.8 | 73.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 80 | V | 35.1 | Very low | 37 | Very low | 130 Ų | 130 | 139 Ų | 139 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | cis | -168.1 | 148.6 | 32.1 | -129.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 81 | Y | 34.2 | Very low | 36.8 | Very low | 210 Ų | 210 | 135.1 Ų | 135.1 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 25.3 | 126.6 | 163.1 | -65.1 | -81.6 | 0 | 0 | 0 | 122.7 | ||||
| 82 | N | 32.9 | Very low | 36.4 | Very low | 164 Ų | 164 | 132.8 Ų | 132.8 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | -165.1 | 148.4 | 100.8 | -149.9 | 10.8 | 0 | 0 | 0 | 113.1 | |||||
| 83 | T | 31.4 | Very low | 36.8 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | trans | -109.9 | 129.2 | -166.8 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 84 | A | 36.8 | Very low | 37.2 | Very low | 94 Ų | 94 | 142 Ų | 142 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -179.7 | 99.2 | 147.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 85 | Q | 36.1 | Very low | 37.7 | Very low | 164 Ų | 164 | 136.7 Ų | 136.7 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | 65.2 | 85.8 | 75 | -163.1 | 164.3 | -12.3 | 0 | 0 | 114.4 | |||||
| 86 | N | 34.4 | Very low | 37.1 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | 164.1 | 106 | 127.6 | -89.6 | -1.5 | 0 | 0 | 0 | 109.4 | |||||
| 87 | Q | 35.6 | Very low | 37.2 | Very low | 176 Ų | 176 | 135 Ų | 135 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | 62.5 | 95.8 | 88.1 | -68.6 | -170.9 | 61.8 | 0 | 0 | 113.5 | |||||
| 88 | Y | 34.9 | Very low | 37.9 | Very low | 223 Ų | 223 | 137.8 Ų | 137.8 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | trans | -67.9 | 163.3 | 160.3 | -79.2 | -90 | 0 | 0 | 0 | 110.6 | ||||
| 89 | P | 46.5 | Very low | 38.1 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | -137 | 161.7 | 91.4 | 28 | -9.1 | 0 | 0 | 0 | 114.9 | |||||
| 90 | A | 33.4 | Very low | 38.1 | Very low | 86 Ų | 86 | 144.6 Ų | 144.6 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | -51.7 | 148.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 91 | S | 35.2 | Very low | 38 | Very low | 102 Ų | 102 | 145 Ų | 145 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | -158.2 | 96.7 | 150 | -70.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 92 | G | 41.7 | Very low | 38.2 | Very low | 80 Ų | 80 | 139.5 Ų | 139.5 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -71.9 | 126.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 93 | F | 40.9 | Very low | 38.2 | Very low | 189 Ų | 189 | 139.1 Ų | 139.1 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | -124.7 | 120.1 | 168.3 | -85.2 | -85 | 0 | 0 | 0 | 109.2 | ||||
| 94 | H | 39.8 | Very low | 39 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 75% | 0.75 | 78% | 0.784 | S | S | * | * | trans | -83 | 133.8 | 173.5 | -172.2 | -97.3 | 0 | 0 | 0 | 108.8 | S96 | H94-S96 PolarHBondContact CE1-OG 3.34Å; H94-S96 VanDerWaalsContact CE1-OG 3.29Å; H94-S96 PolarHBondContact ND1-OG 3.02Å; H94-S96 VanDerWaalsContact ND1-OG 3.13Å; H94-S96 PolarHBondContact O-N 3.11Å; H94-S96 VanDerWaalsContact O-N 3.16Å | ||
| 95 | P | 45.4 | Very low | 38.9 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -84.4 | 94.4 | -179.3 | 32.5 | -30.3 | 0 | 0 | 0 | 109.9 | ||||
| 96 | S | 42.1 | Very low | 38.8 | Very low | 78 Ų | 78 | 146.5 Ų | 146.5 | 55% | 0.545 | 79% | 0.793 | S | S | . | * | trans | -148.9 | 113.2 | 167.1 | -53.8 | 0 | 0 | 0 | 0 | 110.3 | H94 | H94-S96 PolarHBondContact CE1-OG 3.34Å; H94-S96 VanDerWaalsContact CE1-OG 3.29Å; H94-S96 PolarHBondContact ND1-OG 3.02Å; H94-S96 VanDerWaalsContact ND1-OG 3.13Å; H94-S96 PolarHBondContact O-N 3.11Å; H94-S96 VanDerWaalsContact O-N 3.16Å | ||
| 97 | N | 37.8 | Very low | 38.7 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | trans | 109.9 | 108.4 | 168.8 | -66.3 | 3.8 | 0 | 0 | 0 | 116.7 | ||||
| 98 | P | 48.1 | Very low | 38.5 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | trans | -101.9 | 48.1 | 176.6 | 40.7 | -33.4 | 0 | 0 | 0 | 112.5 | ||||
| 99 | F | 43.3 | Very low | 38.4 | Very low | 183 Ų | 183 | 141.7 Ų | 141.7 | 80% | 0.803 | 79% | 0.79 | S | S | * | * | trans | -140.3 | 79.7 | 173.8 | -82.4 | -83.9 | 0 | 0 | 0 | 109.8 | ||||
| 100 | Y | 33.8 | Very low | 38.7 | Very low | 233 Ų | 233 | 141.1 Ų | 141.1 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | trans | -175.5 | 105.8 | 149.8 | -105 | -75.3 | 0 | 0 | 0 | 108.1 | ||||
| 101 | C | 34.7 | Very low | 38.5 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | trans | -95.8 | 112.7 | 159.3 | -78.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 102 | A | 36.9 | Very low | 38.5 | Very low | 95 Ų | 95 | 146 Ų | 146 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 116.5 | 163 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||
| 103 | D | 34.2 | Very low | 38 | Very low | 156 Ų | 156 | 145.8 Ų | 145.8 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 124.1 | 172.9 | -169.1 | -85.3 | 0 | 0 | 0 | 109.3 | ||
| 104 | P | 48.3 | Very low | 37.4 | Very low | 105 Ų | 105 | 143 Ų | 143 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 129.1 | 171.9 | 32.4 | -23.8 | 0 | 0 | 0 | 112.8 | ||
| 105 | Q | 34.7 | Very low | 38 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | 65.3 | 104.1 | 144.1 | -67.6 | -72.6 | -73.8 | 0 | 0 | 119 | ||||
| 106 | R | 32.5 | Very low | 37.3 | Very low | 244 Ų | 244 | 139 Ų | 139 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -81 | 121.9 | 165.5 | -164.8 | -178 | -158.7 | -103.9 | 3.1 | 111 | ||||
| 107 | S | 33.2 | Very low | 37 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -111.4 | 115.5 | 169 | -73.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 108 | S | 31.5 | Very low | 37 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | 37.2 | 108.7 | 136.8 | -50.3 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 109 | Y | 32.8 | Very low | 36.2 | Very low | 219 Ų | 219 | 142.3 Ų | 142.3 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | 53.8 | 164.3 | 132.2 | -74 | -76.8 | 0 | 0 | 0 | 123.1 | ||||
| 110 | P | 52.5 | Low | 35.7 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | cis | -137.5 | 160.2 | 13.6 | 35.9 | -13.8 | 0 | 0 | 0 | 120.6 | ||||
| 111 | S | 28.7 | Very low | 35.6 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | 46.8 | 134.5 | 139.1 | -153.2 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 112 | Q | 35.8 | Very low | 36.2 | Very low | 189 Ų | 189 | 129.9 Ų | 129.9 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | 171.3 | 125.6 | 122.1 | -83.3 | -84.3 | 32.5 | 0 | 0 | 111.1 | |||||
| 113 | G | 30.2 | Very low | 36.3 | Very low | 75 Ų | 75 | 131.6 Ų | 131.6 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | 108.5 | 92.8 | 151.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 114 | C | 29.4 | Very low | 36.3 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 88% | 0.878 | 79% | 0.788 | S | S | * | * | trans | -101 | 168.5 | 149.4 | -78.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 115 | P | 51.6 | Low | 35.6 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | cis | -135.6 | 179.6 | 32.8 | 33.7 | -9 | 0 | 0 | 0 | 113.4 | ||||
| 116 | A | 31.8 | Very low | 36.5 | Very low | 77 Ų | 77 | 127.1 Ų | 127.1 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | -176.6 | 152.5 | 53.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 117 | E | 34.7 | Very low | 36.6 | Very low | 164 Ų | 164 | 124.2 Ų | 124.2 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | 63.1 | 139.4 | 147.2 | -66.2 | -173.8 | 99.6 | 0 | 0 | 119.6 | ||||
| 118 | Q | 38 | Very low | 36.7 | Very low | 148 Ų | 148 | 122.8 Ų | 122.8 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | cis | -167.5 | 148.5 | 18.4 | -125.5 | 174.1 | 62.9 | 0 | 0 | 109.3 | ||||
| 119 | S | 31.9 | Very low | 36.9 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | 77.6 | 107.3 | 142.4 | -54.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 120 | G | 31.9 | Very low | 36.9 | Very low | 87 Ų | 87 | 124.9 Ų | 124.9 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | 118.7 | 106.9 | 113.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 121 | G | 31.4 | Very low | 36 | Very low | 79 Ų | 79 | 126.3 Ų | 126.3 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | 135.2 | 113.4 | 151.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 122 | P | 49.2 | Very low | 36.1 | Very low | 127 Ų | 127 | 128.1 Ų | 128.1 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -108.4 | 172.3 | -172.5 | 39.5 | -31.5 | 0 | 0 | 0 | 115.8 | ||||
| 123 | S | 37.3 | Very low | 36.1 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | trans | 89.5 | 130.5 | 163 | -157.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 124 | G | 34.4 | Very low | 36.2 | Very low | 70 Ų | 70 | 132.4 Ų | 132.4 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | cis | 173 | 140 | 6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 125 | Q | 34.2 | Very low | 36.3 | Very low | 187 Ų | 187 | 137 Ų | 137 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -81.8 | -167.4 | -176.8 | -111.9 | -151.7 | -26.1 | 0 | 0 | 112.5 | ||||
| 126 | P | 54 | Low | 35.5 | Very low | 85 Ų | 85 | 136.6 Ų | 136.6 | 55% | 0.552 | 78% | 0.776 | S | S | * | * | cis | -140.1 | -163.1 | -47.9 | 38.2 | -18.3 | 0 | 0 | 0 | 114.2 | ||||
| 127 | H | 35.1 | Very low | 35.9 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | 85.2 | 150.1 | 167.9 | -84 | 72.1 | 0 | 0 | 0 | 118.3 | ||||
| 128 | A | 34.7 | Very low | 36.5 | Very low | 78 Ų | 78 | 134.6 Ų | 134.6 | 65% | 0.645 | 78% | 0.783 | S | S | * | * | cis | 161 | 121.4 | -28.2 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 129 | Q | 34.5 | Very low | 36.5 | Very low | 191 Ų | 191 | 135.3 Ų | 135.3 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | 179.9 | 130.4 | 140.6 | -119.5 | 176.4 | -11.2 | 0 | 0 | 113.3 | ||||
| 130 | H | 33.1 | Very low | 36.5 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -49.8 | 153 | 150.8 | -97.1 | 50.3 | 0 | 0 | 0 | 111.6 | ||||
| 131 | Q | 33.5 | Very low | 36.8 | Very low | 146 Ų | 146 | 140 Ų | 140 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | 168.2 | 129.5 | 123.3 | -80.4 | -99.5 | 67.9 | 0 | 0 | 112.5 | |||||
| 132 | H | 31.3 | Very low | 36.9 | Very low | 141 Ų | 141 | 140 Ų | 140 | 65% | 0.653 | 79% | 0.785 | S | S | * | * | trans | 83.8 | 123.4 | 147 | -60.1 | -46.5 | 0 | 0 | 0 | 124 | ||||
| 133 | H | 35.9 | Very low | 36.2 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | -86 | 135 | 174.9 | -63 | 63.2 | 0 | 0 | 0 | 110.1 | ||||
| 134 | H | 33.1 | Very low | 36.5 | Very low | 183 Ų | 183 | 137.6 Ų | 137.6 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | -131.5 | 110.9 | 157.5 | -81.7 | -79.7 | 0 | 0 | 0 | 109 | ||||
| 135 | Y | 30.4 | Very low | 36.7 | Very low | 225 Ų | 225 | 137.4 Ų | 137.4 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | trans | -79.4 | 126.8 | 172.4 | -114.8 | -95.4 | 0 | 0 | 0 | 109.2 | ||||
| 136 | S | 34.6 | Very low | 36.9 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -110.4 | 108 | 166.4 | -59.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 137 | G | 41.6 | Very low | 36.5 | Very low | 71 Ų | 71 | 141 Ų | 141 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | trans | -85.7 | 156.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 138 | P | 47.3 | Very low | 36.6 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -115.9 | 112.3 | 159.3 | 14.4 | 6 | 0 | 0 | 0 | 112.4 | ||||
| 139 | H | 36.4 | Very low | 36.5 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | 16.1 | 120.7 | 133 | -163.2 | -101.8 | 0 | 0 | 0 | 119.6 | ||||
| 140 | C | 33.7 | Very low | 37.3 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -78.8 | 138 | 169.8 | 47.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 141 | Q | 36.5 | Very low | 37.3 | Very low | 178 Ų | 178 | 137.6 Ų | 137.6 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -145.7 | 123.8 | 156.2 | -78.5 | -132.2 | 52.7 | 0 | 0 | 104.8 | ||||
| 142 | G | 34.4 | Very low | 37.4 | Very low | 80 Ų | 80 | 136 Ų | 136 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | 112.3 | 104 | 50.4 | 0 | 0 | 0 | 0 | 0 | 107 | |||||
| 143 | G | 33.3 | Very low | 37.7 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -175.1 | 141.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 144 | P | 45.6 | Very low | 37.8 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 84% | 0.844 | 81% | 0.814 | S | S | * | * | trans | -114.1 | 145.2 | -145.3 | 32.1 | -15.9 | 0 | 0 | 0 | 115.9 | ||||
| 145 | G | 37.1 | Very low | 37.9 | Very low | 67 Ų | 67 | 135.9 Ų | 135.9 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | 64.7 | 106.4 | 129.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 146 | Y | 38.3 | Very low | 37.9 | Very low | 233 Ų | 233 | 134.1 Ų | 134.1 | 91% | 0.914 | 80% | 0.803 | S | S | * | * | trans | -143.2 | 149.7 | 142.9 | -94.2 | -85.3 | 0 | 0 | 0 | 110.4 | ||||
| 147 | P | 45.1 | Very low | 37.9 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | trans | -94.5 | 158.5 | -152.9 | 36.3 | -34.2 | 0 | 0 | 0 | 115.4 | ||||
| 148 | S | 38.3 | Very low | 37.5 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | -69.5 | 137.3 | 177.9 | -29.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 149 | G | 32.9 | Very low | 37.1 | Very low | 67 Ų | 67 | 136.5 Ų | 136.5 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | trans | -111.9 | 146.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 150 | P | 50.8 | Low | 37.1 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -87.9 | 132.6 | -151.4 | 33.2 | -33.5 | 0 | 0 | 0 | 113.8 | ||||
| 151 | Y | 33.7 | Very low | 38.1 | Very low | 223 Ų | 223 | 134.3 Ų | 134.3 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | trans | -87.2 | 119.4 | 163.5 | -133.9 | -97.3 | 0 | 0 | 0 | 108.3 | H153 | Y151-H153 PolarHBondContact O-N 3.5Š| ||
| 152 | S | 34.8 | Very low | 38.7 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -71.6 | 109.7 | 172.2 | -67.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 153 | H | 38.4 | Very low | 39.7 | Very low | 175 Ų | 175 | 133.3 Ų | 133.3 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -68.1 | 128.3 | 153.4 | -97.7 | -95.8 | 0 | 0 | 0 | 108.8 | Y151 | Y151-H153 PolarHBondContact O-N 3.5Š| ||
| 154 | Y | 37.5 | Very low | 40.3 | Very low | 227 Ų | 227 | 137.4 Ų | 137.4 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | -141 | 133.7 | 142.4 | -129.9 | -92 | 0 | 0 | 0 | 110.4 | ||||
| 155 | S | 34.5 | Very low | 40.6 | Very low | 89 Ų | 89 | 136.7 Ų | 136.7 | 62% | 0.622 | 80% | 0.804 | S | S | * | * | trans | -87.8 | 147.8 | -168.3 | 36.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 156 | E | 32.3 | Very low | 41.3 | Very low | 189 Ų | 189 | 139.2 Ų | 139.2 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | 49.4 | 107.6 | 128.4 | -162.3 | 136.8 | 81.7 | 0 | 0 | 119.4 | |||||
| 157 | A | 33.8 | Very low | 41.5 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | 139.4 | 127.2 | 125 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 158 | G | 32.3 | Very low | 41.7 | Very low | 63 Ų | 63 | 139.2 Ų | 139.2 | 65% | 0.649 | 81% | 0.809 | S | S | * | * | trans | 119.4 | 86.2 | 147.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 159 | H | 40.5 | Very low | 41.7 | Very low | 198 Ų | 198 | 139.3 Ų | 139.3 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | trans | 50.1 | 137.7 | 136.6 | -53.3 | -67.2 | 0 | 0 | 0 | 124 | ||||
| 160 | A | 35.4 | Very low | 41.9 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | 100.6 | 118.4 | 140.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 161 | V | 55.6 | Low | 41.2 | Very low | 136 Ų | 136 | 143.2 Ų | 143.2 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 142.1 | 174.8 | -162.9 | 0 | 0 | 0 | 0 | 111 | ||
| 162 | P | 49 | Very low | 42.1 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 135.5 | 161.2 | 30.9 | -29.2 | 0 | 0 | 0 | 111.8 | ||
| 163 | P | 53.8 | Low | 41.9 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 150.4 | -175 | 34.6 | -32.8 | 0 | 0 | 0 | 113.2 | ||
| 164 | N | 46.9 | Very low | 41.9 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 143.6 | 169.2 | -102.7 | -12.8 | 0 | 0 | 0 | 111.7 | ||
| 165 | P | 52.8 | Low | 42.5 | Very low | 116 Ų | 116 | 135 Ų | 135 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -83 | 145.8 | 174.3 | 31.9 | -31.9 | 0 | 0 | 0 | 112.7 | ||
| 166 | P | 50.2 | Low | 42.7 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 150.6 | -179.5 | 35.5 | -32.1 | 0 | 0 | 0 | 113.2 | ||
| 167 | Y | 43.2 | Very low | 43.3 | Very low | 223 Ų | 223 | 132.4 Ų | 132.4 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 154.6 | 164.2 | -91.2 | -96.6 | 0 | 0 | 0 | 112.1 | ||
| 168 | P | 49.7 | Very low | 43.3 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | -121.3 | 125 | 146.9 | 32.1 | -20.1 | 0 | 0 | 0 | 112.2 | ||||
| 169 | T | 36.8 | Very low | 43.4 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -104.6 | 122.9 | 162.7 | -56.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 170 | A | 37.6 | Very low | 43 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -158.8 | 117.5 | 155.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 171 | Q | 37.1 | Very low | 42.8 | Very low | 181 Ų | 181 | 134.9 Ų | 134.9 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -88.7 | -170.1 | 164.6 | -82 | -146.7 | -20.8 | 0 | 0 | 110.3 | ||||
| 172 | P | 51.5 | Low | 41.7 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | cis | -133.9 | 176.7 | -18.2 | 19.6 | 5.1 | 0 | 0 | 0 | 113.5 | ||||
| 173 | L | 31.8 | Very low | 40.9 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | 176.1 | 120.1 | 135.6 | -92 | 144.5 | 0 | 0 | 0 | 111.7 | ||||
| 174 | H | 38.6 | Very low | 40.1 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | trans | -77.9 | 177.5 | 167 | -111.3 | -127.7 | 0 | 0 | 0 | 110.6 | ||||
| 175 | P | 48.7 | Very low | 39.4 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | cis | -139.3 | 176.4 | 10.7 | 33.6 | -10 | 0 | 0 | 0 | 117.3 | ||||
| 176 | S | 38.5 | Very low | 38.6 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -56.5 | 164.3 | 167.2 | 169.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 177 | P | 45.8 | Very low | 38.5 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -123.7 | 146.6 | 137.1 | 33.7 | -22.6 | 0 | 0 | 0 | 114.2 | ||||
| 178 | Q | 34.2 | Very low | 38.1 | Very low | 196 Ų | 196 | 136.2 Ų | 136.2 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | -55.8 | 166.7 | 161.7 | -67.5 | -173.7 | -69.2 | 0 | 0 | 111.5 | ||||
| 179 | G | 33.9 | Very low | 37.4 | Very low | 61 Ų | 61 | 134.4 Ų | 134.4 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | cis | 142.1 | 146.6 | 14.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 180 | D | 32.7 | Very low | 38.3 | Very low | 173 Ų | 173 | 133.7 Ų | 133.7 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | trans | 170.9 | 143.6 | 163.7 | -94.1 | -49.7 | 0 | 0 | 0 | 106.6 | ||||
| 181 | A | 30 | Very low | 38.1 | Very low | 85 Ų | 85 | 134 Ų | 134 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | cis | -162.7 | 157.9 | -7.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 182 | W | 33.3 | Very low | 38.2 | Very low | 236 Ų | 236 | 132.8 Ų | 132.8 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | trans | -65.3 | 144.9 | 178.6 | -71.3 | 75.3 | 0 | 0 | 0 | 112.8 | H184 | W182-H184 AromaticContact CE3-CD2 3.86Å; W182-H184 AromaticContact CE3-NE2 3.83Å; W182-H184 AromaticContact CZ3-CD2 3.99Å; W182-H184 AromaticContact CZ3-NE2 3.57Å | ||
| 183 | G | 31.4 | Very low | 37.7 | Very low | 74 Ų | 74 | 135.2 Ų | 135.2 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | -163 | 83.6 | 169 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 184 | H | 36.3 | Very low | 37.9 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | trans | -84.4 | 119.7 | 166.3 | -74.2 | -71 | 0 | 0 | 0 | 110.1 | W182 | W182-H184 AromaticContact CE3-CD2 3.86Å; W182-H184 AromaticContact CE3-NE2 3.83Å; W182-H184 AromaticContact CZ3-CD2 3.99Å; W182-H184 AromaticContact CZ3-NE2 3.57Å | ||
| 185 | T | 33.4 | Very low | 38 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | trans | -152.7 | 120.6 | 148.6 | 35.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 186 | G | 35.5 | Very low | 37.5 | Very low | 71 Ų | 71 | 138.5 Ų | 138.5 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | trans | -72 | -166.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 187 | P | 48.5 | Very low | 37.9 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | cis | -137.5 | -173.1 | 11 | 25.7 | 1.2 | 0 | 0 | 0 | 114 | ||||
| 188 | Y | 33.8 | Very low | 37.5 | Very low | 229 Ų | 229 | 136.8 Ų | 136.8 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | trans | 92.7 | 122.3 | 164.5 | -72.2 | -91 | 0 | 0 | 0 | 119.8 | ||||
| 189 | A | 35.9 | Very low | 37.4 | Very low | 88 Ų | 88 | 136.8 Ų | 136.8 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -77.8 | -163 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 190 | P | 56.1 | Low | 37.6 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | cis | -134.5 | -169.9 | -16.9 | 30.8 | -7.9 | 0 | 0 | 0 | 113.1 | ||||
| 191 | S | 33.9 | Very low | 38 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 91.7 | 115 | 150.6 | 74.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 192 | Q | 38.1 | Very low | 38.1 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | 43.1 | 126.1 | 127.3 | -67.6 | -91.1 | 23.9 | 0 | 0 | 121 | |||||
| 193 | Q | 40.3 | Very low | 38.2 | Very low | 149 Ų | 149 | 136 Ų | 136 | 70% | 0.696 | 76% | 0.762 | S | S | * | * | trans | 72.9 | 146.6 | 145.9 | -67.4 | 163.4 | 43.6 | 0 | 0 | 117.2 | ||||
| 194 | Q | 36.1 | Very low | 38.1 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | 141.7 | 94.6 | 111.9 | -168.9 | 132.3 | 47.5 | 0 | 0 | 112.2 | H196 | Q194-H196 WeakPolarHBondContact CG-CD2 3.47Å; Q194-H196 WeakPolarHBondContact CG-NE2 3Å; Q194-H196 PolarHBondContact NE2-NE2 3.31Å | |||
| 195 | W | 40.6 | Very low | 38.2 | Very low | 253 Ų | 253 | 139.4 Ų | 139.4 | 96% | 0.958 | 76% | 0.764 | S | S | * | * | trans | -65.4 | 129.2 | 160.5 | -77.9 | 96.7 | 0 | 0 | 0 | 109.7 | ||||
| 196 | H | 39.4 | Very low | 38.2 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | trans | -133.3 | 156.4 | 168.7 | -88.2 | -104.8 | 0 | 0 | 0 | 112.6 | Q194 | Q194-H196 WeakPolarHBondContact CG-CD2 3.47Å; Q194-H196 WeakPolarHBondContact CG-NE2 3Å; Q194-H196 PolarHBondContact NE2-NE2 3.31Å | ||
| 197 | P | 46.8 | Very low | 38.1 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | trans | -109.9 | 159.1 | -145.6 | 38 | -27.9 | 0 | 0 | 0 | 113.9 | ||||
| 198 | G | 37.6 | Very low | 37.4 | Very low | 74 Ų | 74 | 145.5 Ų | 145.5 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | trans | 73.7 | 113.7 | 143.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 199 | Q | 31.9 | Very low | 37.7 | Very low | 196 Ų | 196 | 143.5 Ų | 143.5 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | -152.8 | 132 | 129.6 | -87.9 | -128.9 | 6 | 0 | 0 | 110.2 | |||||
| 200 | Q | 38.7 | Very low | 37.9 | Very low | 168 Ų | 168 | 145.8 Ų | 145.8 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -71 | 157.9 | 168.1 | -137.9 | -179.9 | -15.4 | 0 | 0 | 109.2 | ||||
| 201 | P | 41.1 | Very low | 37.2 | Very low | 125 Ų | 125 | 150.5 Ų | 150.5 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | -139.1 | 170.3 | 103.3 | 29.8 | -11.8 | 0 | 0 | 0 | 114.9 | |||||
| 202 | S | 32.3 | Very low | 37.4 | Very low | 95 Ų | 95 | 151.2 Ų | 151.2 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | trans | -79.4 | 151.4 | -159.9 | 29.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 203 | Q | 33.7 | Very low | 37.6 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 44.5 | 118.8 | 150 | -72.8 | -164.4 | -15.5 | 0 | 0 | 119.1 | ||||
| 204 | N | 30.1 | Very low | 38.2 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | -156.4 | 139.8 | 114.1 | -100.7 | -65.1 | 0 | 0 | 0 | 110.9 | |||||
| 205 | H | 38.8 | Very low | 39.3 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 65% | 0.653 | 78% | 0.783 | S | S | * | * | trans | -84.3 | 139.2 | -172.1 | -64.5 | 60.8 | 0 | 0 | 0 | 110.1 | ||||
| 206 | Y | 32.6 | Very low | 39.8 | Very low | 240 Ų | 240 | 141 Ų | 141 | 94% | 0.941 | 78% | 0.776 | S | S | * | * | -175.4 | 127.6 | 125.1 | -112.4 | -87.5 | 0 | 0 | 0 | 108.6 | |||||
| 207 | G | 33.9 | Very low | 40.2 | Very low | 71 Ų | 71 | 139.1 Ų | 139.1 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | trans | -89.2 | -173.8 | -159.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 208 | N | 34.7 | Very low | 40 | Very low | 138 Ų | 138 | 145 Ų | 145 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | 113.8 | 84 | 155.3 | -139.7 | -14 | 0 | 0 | 0 | 115.6 | ||||
| 209 | H | 39.2 | Very low | 40.4 | Very low | 188 Ų | 188 | 147.8 Ų | 147.8 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | trans | -144.7 | 113.1 | 145.9 | 4.9 | -66.6 | 0 | 0 | 0 | 108.7 | ||||
| 210 | V | 40.6 | Very low | 41.1 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -75 | 126.8 | -178 | 177.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 211 | R | 41.4 | Very low | 41.5 | Very low | 214 Ų | 214 | 139.9 Ų | 139.9 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 150.2 | 176.5 | -170.9 | 178.7 | -175.8 | -137.3 | 1.9 | 109.9 | ||
| 212 | P | 38.7 | Very low | 41.7 | Very low | 121 Ų | 121 | 138 Ų | 138 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 141.7 | 174.5 | -18.6 | 31 | 0 | 0 | 0 | 112.3 | ||
| 213 | A | 40.5 | Very low | 42.3 | Very low | 92 Ų | 92 | 139.3 Ų | 139.3 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 142 | -173 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 214 | H | 54 | Low | 43.1 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 72% | 0.718 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 156.3 | 165 | 25.6 | -91.2 | 0 | 0 | 0 | 111.4 | ||
| 215 | P | 58 | Low | 44 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 154.4 | 176.3 | 30 | -34.2 | 0 | 0 | 0 | 111.4 | ||
| 216 | P | 52.6 | Low | 44.7 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 141.3 | -172.9 | 27.7 | -32.7 | 0 | 0 | 0 | 112.6 | ||
| 217 | A | 46.3 | Very low | 45.9 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -74 | 145.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 218 | W | 43.7 | Very low | 46.8 | Very low | 238 Ų | 238 | 127.7 Ų | 127.7 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 145.3 | 172.7 | -64.9 | 72 | 0 | 0 | 0 | 110.4 | G220 | W218-G220 PolarHBondContact O-N 2.94Š|
| 219 | P | 45.8 | Very low | 47 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -77.7 | 122.2 | -177.4 | 30.9 | -30.4 | 0 | 0 | 0 | 110.2 | ||
| 220 | G | 45.8 | Very low | 47.1 | Very low | 65 Ų | 65 | 130.4 Ų | 130.4 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 124.2 | 67.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | W218 | W218-G220 PolarHBondContact O-N 2.94Š|
| 221 | T | 46.9 | Very low | 47.1 | Very low | 133 Ų | 133 | 129.8 Ų | 129.8 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | 169.4 | 116.1 | 136.6 | 29.7 | 0 | 0 | 0 | 0 | 107.5 | T223 | T221-T223 VanDerWaalsContact C-N 3.29Å; T221-T223 PolarHBondContact O-N 2.93Å | ||
| 222 | G | 46.5 | Very low | 46.7 | Very low | 85 Ų | 85 | 128.8 Ų | 128.8 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -73.7 | 77.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 223 | T | 45.7 | Very low | 46.7 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -165.3 | 115.2 | 159 | 10.1 | 0 | 0 | 0 | 0 | 108 | T221 A225 | T221-T223 VanDerWaalsContact C-N 3.29Å; T221-T223 PolarHBondContact O-N 2.93Å; T223-A225 VanDerWaalsContact C-N 3.28Å; T223-A225 PolarHBondContact O-N 2.87Å | ||
| 224 | G | 50.1 | Low | 46.8 | Very low | 98 Ų | 98 | 135.2 Ų | 135.2 | 100% | 1.01 | 80% | 0.8 | S | S | * | * | trans | -74.2 | 70 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 225 | A | 49.1 | Very low | 46.3 | Very low | 77 Ų | 77 | 137.5 Ų | 137.5 | 64% | 0.636 | 81% | 0.808 | S | S | * | * | trans | -138.4 | 132 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | T223 | T223-A225 VanDerWaalsContact C-N 3.28Å; T223-A225 PolarHBondContact O-N 2.87Å | ||
| 226 | P | 53.2 | Low | 45.3 | Very low | 119 Ų | 119 | 142 Ų | 142 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 143.2 | 167.9 | 29.2 | -31.8 | 0 | 0 | 0 | 109.4 | ||
| 227 | P | 57.1 | Low | 44.6 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 142.8 | 175.8 | 27.4 | -32.7 | 0 | 0 | 0 | 110.1 | Y229 | P227-Y229 PolarHBondContact O-N 3.34Š|
| 228 | P | 53.1 | Low | 43.8 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 120.6 | 173.8 | 27 | -31.7 | 0 | 0 | 0 | 109.5 | Q230 | P228-Q230 PolarHBondContact O-N 3.42Š|
| 229 | Y | 39.4 | Very low | 43.4 | Very low | 230 Ų | 230 | 138.4 Ų | 138.4 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -62.5 | 104.2 | 166.9 | -105.4 | -101.3 | 0 | 0 | 0 | 108.8 | P227 | P227-Y229 PolarHBondContact O-N 3.34Š| ||
| 230 | Q | 40.7 | Very low | 42.9 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 72% | 0.715 | 81% | 0.812 | S | S | * | * | trans | -85.4 | 128.4 | 160.5 | -89 | -174.4 | -22.3 | 0 | 0 | 108.8 | P228 K232 | P228-Q230 PolarHBondContact O-N 3.42Å; Q230-K232 PolarHBondContact O-N 2.86Å; Q230-K232 VanDerWaalsContact O-N 3.08Å | ||
| 231 | P | 39.9 | Very low | 42.4 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -72.5 | 102 | 168 | 28.1 | -28.2 | 0 | 0 | 0 | 108.8 | F233 | P231-F233 VanDerWaalsContact C-N 3.33Å; P231-F233 PolarHBondContact O-N 3.38Å | ||
| 232 | K | 34.3 | Very low | 41.8 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -80.9 | 82.4 | 163.5 | -79.7 | 175 | -179.1 | 156.6 | 0 | 108.6 | Q230 | Q230-K232 PolarHBondContact O-N 2.86Å; Q230-K232 VanDerWaalsContact O-N 3.08Å | ||
| 233 | F | 39.2 | Very low | 41.3 | Very low | 195 Ų | 195 | 144.1 Ų | 144.1 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -90.8 | 97.5 | 154.5 | -105.9 | -90 | 0 | 0 | 0 | 106.8 | P231 | P231-F233 VanDerWaalsContact C-N 3.33Å; P231-F233 PolarHBondContact O-N 3.38Å | ||
| 234 | D | 42.3 | Very low | 40.8 | Very low | 152 Ų | 152 | 145.6 Ų | 145.6 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | 176 | 88.3 | 152.8 | -96.5 | -48.1 | 0 | 0 | 0 | 108.2 | ||||
| 235 | K | 42.6 | Very low | 40 | Very low | 204 Ų | 204 | 151.6 Ų | 151.6 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | trans | 179.1 | 83.2 | 154.3 | -97.6 | 142.5 | -170.2 | 171 | 0 | 110.4 | ||||
| 236 | F | 37.2 | Very low | 39.3 | Very low | 212 Ų | 212 | 153.8 Ų | 153.8 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | trans | -160.8 | 77.3 | 138.5 | -131.7 | -87.2 | 0 | 0 | 0 | 110.4 | ||||
| 237 | C | 37.4 | Very low | 39.4 | Very low | 139 Ų | 139 | 153.7 Ų | 153.7 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | trans | -158.2 | 113.7 | 152 | -94.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 238 | G | 30.8 | Very low | 38.2 | Very low | 81 Ų | 81 | 156.9 Ų | 156.9 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -173.9 | 72.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 239 | N | 35.4 | Very low | 37.4 | Very low | 164 Ų | 164 | 157 Ų | 157 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -73.6 | 132.6 | 163 | -160.4 | 31.3 | 0 | 0 | 0 | 108.3 | ||||
| 240 | D | 33.5 | Very low | 37.3 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 65% | 0.652 | 78% | 0.784 | S | S | * | * | trans | 24.7 | 138.9 | 151.8 | -151.9 | -130.6 | 0 | 0 | 0 | 122.3 | ||||
| 241 | Q | 35.8 | Very low | 37.7 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 66% | 0.659 | 79% | 0.792 | S | S | * | * | trans | 100.9 | 117.4 | 144.5 | -101.7 | -178.9 | 96.2 | 0 | 0 | 122.8 | ||||
| 242 | Q | 34.5 | Very low | 37.6 | Very low | 136 Ų | 136 | 151.7 Ų | 151.7 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | 92.3 | 108.2 | 136.9 | -59.4 | -140.4 | 8.4 | 0 | 0 | 122.5 | ||||
| 243 | H | 37 | Very low | 38.2 | Very low | 136 Ų | 136 | 148.2 Ų | 148.2 | 63% | 0.63 | 79% | 0.79 | S | S | * | * | 72.3 | 119 | 126.6 | -62.7 | 114 | 0 | 0 | 0 | 123.5 | |||||
| 244 | Q | 34.1 | Very low | 38 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | 70.2 | 115.2 | 127.7 | -64.9 | 178.2 | 54.4 | 0 | 0 | 121.5 | |||||
| 245 | R | 33.3 | Very low | 37.6 | Very low | 223 Ų | 223 | 149.2 Ų | 149.2 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | 125.7 | 142.9 | 119.2 | -144.8 | -158 | -84.4 | -109.1 | -0.1 | 116.4 | |||||
| 246 | T | 35.6 | Very low | 37.4 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -52.4 | 173.4 | -172.3 | 45.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 247 | P | 54.1 | Low | 37.9 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | -102 | 170 | -156.8 | 40.7 | -32.2 | 0 | 0 | 0 | 114.1 | ||||
| 248 | Q | 33.1 | Very low | 37.9 | Very low | 175 Ų | 175 | 137.2 Ų | 137.2 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -158.1 | 119.7 | 158.6 | -95.2 | -115.6 | 97.2 | 0 | 0 | 114.8 | ||||
| 249 | V | 35.5 | Very low | 38.7 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | 11.4 | 143.9 | 140.4 | -50.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 250 | G | 36.9 | Very low | 38.8 | Very low | 73 Ų | 73 | 139 Ų | 139 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | 124.9 | 149.2 | 132.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 251 | P | 49.2 | Very low | 39.9 | Very low | 136 Ų | 136 | 138.7 Ų | 138.7 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | -116.9 | 175.8 | -138.1 | 37.3 | -23 | 0 | 0 | 0 | 117.4 | ||||
| 252 | K | 38.7 | Very low | 40.7 | Very low | 185 Ų | 185 | 137.3 Ų | 137.3 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -74.9 | 154.4 | 175.3 | -164.6 | 163.5 | 177.8 | 165.2 | 0 | 112.5 | ||||
| 253 | P | 45.9 | Very low | 40.6 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | -148.8 | 129.2 | 102.7 | 30.7 | -10.4 | 0 | 0 | 0 | 113.6 | |||||
| 254 | R | 34.7 | Very low | 40.6 | Very low | 220 Ų | 220 | 135.7 Ų | 135.7 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | 66.7 | 115.8 | 84.2 | -154.9 | -172.1 | -136.7 | -141.8 | 6.4 | 116.2 | |||||
| 255 | T | 34.5 | Very low | 40.9 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | -177.2 | 138 | 129.4 | 12.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 256 | A | 37.3 | Very low | 41.5 | Very low | 90 Ų | 90 | 132.1 Ų | 132.1 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | -90.7 | -165.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 257 | P | 47.7 | Very low | 41.7 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | cis | -134.7 | -178.9 | -7 | 36.2 | -14.4 | 0 | 0 | 0 | 114.8 | ||||
| 258 | A | 38.8 | Very low | 40.9 | Very low | 91 Ų | 91 | 135.1 Ų | 135.1 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | -71.2 | 164 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 259 | P | 47.2 | Very low | 41.3 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | -152.5 | 161.8 | 88.6 | 35.4 | -14.1 | 0 | 0 | 0 | 117.1 | |||||
| 260 | N | 37.6 | Very low | 41.5 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -76.9 | -178.6 | 165.8 | -78 | -25.5 | 0 | 0 | 0 | 111.7 | ||||
| 261 | P | 55.8 | Low | 41.6 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | cis | -139.1 | -142 | 6.8 | 43.2 | -20.6 | 0 | 0 | 0 | 111.9 | ||||
| 262 | P | 52.5 | Low | 41.6 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | cis | -132.9 | 166.8 | -27.2 | 36.6 | -17.4 | 0 | 0 | 0 | 116.6 | ||||
| 263 | N | 34 | Very low | 42.1 | Very low | 159 Ų | 159 | 130.2 Ų | 130.2 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | 54.9 | 124.3 | 141.5 | -161.2 | 37 | 0 | 0 | 0 | 123.7 | ||||
| 264 | G | 37.3 | Very low | 42.4 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 169.4 | 117 | 159.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 265 | K | 39.1 | Very low | 43 | Very low | 187 Ų | 187 | 130 Ų | 130 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -112.9 | 163.5 | -176.5 | 53.1 | 178.3 | 164.9 | 179.8 | 0 | 109.7 | ||||
| 266 | P | 47.2 | Very low | 43.3 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | -153 | 146.4 | 65.6 | 38.9 | -16.2 | 0 | 0 | 0 | 116.9 | |||||
| 267 | A | 39.5 | Very low | 43.2 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | 75.9 | 113.1 | 102.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 268 | E | 37.6 | Very low | 42.7 | Very low | 200 Ų | 200 | 137 Ų | 137 | 94% | 0.935 | 79% | 0.794 | S | S | * | * | trans | -128.7 | 148.8 | 150.3 | -156.3 | 176.1 | 126.1 | 0 | 0 | 109.4 | ||||
| 269 | I | 41 | Very low | 42.8 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 80% | 0.795 | 80% | 0.799 | S | S | * | * | trans | -103.6 | 137.5 | -152.6 | -68.4 | 147.1 | 0 | 0 | 0 | 109.6 | ||||
| 270 | S | 38.8 | Very low | 42.1 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -171.7 | 120.4 | 132.8 | -169.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 271 | S | 38.5 | Very low | 42.2 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | 103.3 | 127.4 | 149.7 | -59 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 272 | P | 50.1 | Low | 41.2 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -108 | 176.4 | -168 | 11 | 15.6 | 0 | 0 | 0 | 115.1 | ||||
| 273 | P | 50.2 | Low | 40.5 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 64% | 0.643 | 81% | 0.814 | S | S | * | * | trans | -97.5 | 164.8 | -162.9 | 38.6 | -33.5 | 0 | 0 | 0 | 114.5 | ||||
| 274 | Q | 50.3 | Low | 41.4 | Very low | 195 Ų | 195 | 139.6 Ų | 139.6 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -125.1 | 128.4 | 162.2 | -75.9 | -68.1 | 0.1 | 0 | 0 | 111.3 | ||||
| 275 | I | 47.8 | Very low | 41.1 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 72% | 0.718 | 81% | 0.805 | S | S | * | * | trans | -118.2 | 125.4 | -168.3 | -13.3 | 176.4 | 0 | 0 | 0 | 106.7 | ||||
| 276 | Y | 42 | Very low | 41.6 | Very low | 206 Ų | 206 | 137.4 Ų | 137.4 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | 49.1 | 130 | 147.1 | -142.4 | -99.3 | 0 | 0 | 0 | 121.2 | ||||
| 277 | S | 35.1 | Very low | 41 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -145.4 | 91.3 | 155.5 | -76.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 278 | K | 37.1 | Very low | 41 | Very low | 184 Ų | 184 | 141.4 Ų | 141.4 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | trans | 41.1 | 140.2 | 137.5 | 79.9 | 178.8 | -172.9 | 177.4 | 0 | 123.1 | ||||
| 279 | A | 40.8 | Very low | 41.3 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -65.2 | 162 | 178.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 280 | G | 32.8 | Very low | 40.9 | Very low | 77 Ų | 77 | 138.3 Ų | 138.3 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -157.5 | 118.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 281 | R | 39.6 | Very low | 41.2 | Very low | 248 Ų | 248 | 138.7 Ų | 138.7 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | trans | -68.7 | 146.6 | 178.8 | -81 | 171.9 | 161.7 | -174.9 | -6.4 | 113.5 | ||||
| 282 | S | 34.6 | Very low | 41.8 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | -171.1 | 153.4 | 128.9 | 31.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 283 | D | 37.6 | Very low | 41.6 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -77.9 | -166.6 | -161.4 | -151.3 | -131.6 | 0 | 0 | 0 | 114 | ||||
| 284 | P | 52.4 | Low | 41.1 | Very low | 105 Ų | 105 | 142 Ų | 142 | 68% | 0.682 | 81% | 0.805 | S | S | * | * | -112.9 | -173 | -114.6 | 36.9 | -15.3 | 0 | 0 | 0 | 115.1 | |||||
| 285 | S | 30.6 | Very low | 41.1 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | 96.7 | 157.7 | 160.3 | -131.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 286 | P | 49.3 | Very low | 41 | Very low | 107 Ų | 107 | 135 Ų | 135 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | -125.9 | 175.7 | -94.7 | 34.3 | -14.8 | 0 | 0 | 0 | 114.1 | |||||
| 287 | S | 34.5 | Very low | 41.3 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | 82.9 | 104.9 | 160.4 | -49.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 288 | Q | 39.5 | Very low | 42 | Very low | 189 Ų | 189 | 132.6 Ų | 132.6 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | -164.7 | 150.6 | 112.9 | -108.6 | -168.1 | -64.3 | 0 | 0 | 112.1 | |||||
| 289 | P | 44.1 | Very low | 42.1 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 141.7 | -169.3 | -5.8 | 22.3 | 0 | 0 | 0 | 113.1 | P291 | P289-P291 WeakPolarHBondContact O-CD 3.47Š|
| 290 | E | 34.3 | Very low | 42.5 | Very low | 177 Ų | 177 | 127.3 Ų | 127.3 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 122.8 | 170.4 | -163.1 | 170.7 | 101.6 | 0 | 0 | 111 | ||
| 291 | P | 44.3 | Very low | 43.3 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 121 | 165 | -7.7 | 25.1 | 0 | 0 | 0 | 109.2 | P289 P293 | P289-P291 WeakPolarHBondContact O-CD 3.47Å; P291-P293 WeakPolarHBondContact O-CD 3.46Å |
| 292 | Q | 50.6 | Low | 43.8 | Very low | 186 Ų | 186 | 125 Ų | 125 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | -44.2 | 129.2 | 171.3 | -67.3 | 172.1 | -31.9 | 0 | 0 | 112.7 | A294 | Q292-A294 PolarHBondContact O-N 3.47Š| ||
| 293 | P | 46.3 | Very low | 44.8 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | -81.5 | 104.4 | 161.3 | -11.6 | 28.6 | 0 | 0 | 0 | 110.3 | P291 | P291-P293 WeakPolarHBondContact O-CD 3.46Š| ||
| 294 | A | 40.3 | Very low | 45.7 | Very low | 92 Ų | 92 | 119.9 Ų | 119.9 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | trans | 46 | 115.3 | 138.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | Q292 A296 | Q292-A294 PolarHBondContact O-N 3.47Å; A294-A296 PolarHBondContact O-N 3.05Å; A294-A296 VanDerWaalsContact O-N 3.16Å | ||
| 295 | A | 50.1 | Low | 46.4 | Very low | 104 Ų | 104 | 123 Ų | 123 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | -43.6 | 116 | 152.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 296 | A | 45.8 | Very low | 48.9 | Very low | 85 Ų | 85 | 119 Ų | 119 | 70% | 0.702 | 72% | 0.722 | S | S | * | * | trans | -68.5 | 140.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | A294 V298 | A294-A296 PolarHBondContact O-N 3.05Å; A294-A296 VanDerWaalsContact O-N 3.16Å; A296-V298 PolarHBondContact O-N 3.29Å | ||
| 297 | P | 48.4 | Very low | 50.7 | Low | 127 Ų | 127 | 118.1 Ų | 118.1 | 83% | 0.825 | 72% | 0.716 | S | S | * | * | trans | -65.4 | 127.1 | 178.6 | 26.3 | -30.2 | 0 | 0 | 0 | 109.2 | G299 | P297-G299 PolarHBondContact O-N 3.48Š| ||
| 298 | V | 50.1 | Low | 53.4 | Low | 145 Ų | 145 | 113 Ų | 113 | 88% | 0.879 | 68% | 0.681 | S | S | * | * | trans | -62.7 | 89.4 | 166.8 | 175.2 | 0 | 0 | 0 | 0 | 107.1 | A296 | A296-V298 PolarHBondContact O-N 3.29Š| ||
| 299 | G | 37.8 | Very low | 55.9 | Low | 42 Ų | 42 | 105.7 Ų | 105.7 | 43% | 0.433 | 65% | 0.648 | S | S | . | * | trans | -62.8 | 154.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | P297 Q301 | P297-G299 PolarHBondContact O-N 3.48Å; G299-Q301 PolarHBondContact O-N 3.23Å | ||
| 300 | P | 50.5 | Low | 58.2 | Low | 133 Ų | 133 | 101.9 Ų | 101.9 | 86% | 0.864 | 63% | 0.627 | S | S | * | * | trans | -59.7 | 109.2 | 175.5 | -9.9 | 23.9 | 0 | 0 | 0 | 107.3 | ||||
| 301 | Q | 49.6 | Very low | 61 | Low | 174 Ų | 174 | 98.7 Ų | 98.7 | 81% | 0.813 | 61% | 0.61 | S | S | * | * | trans | -55.9 | 128.3 | 174.2 | -76 | -104.5 | -52.1 | 0 | 0 | 107.1 | G299 L303 | G299-Q301 PolarHBondContact O-N 3.23Å; Q301-L303 PolarHBondContact O-N 3.3Å | ||
| 302 | P | 48.6 | Very low | 63.5 | Low | 103 Ų | 103 | 93.4 Ų | 93.4 | 67% | 0.669 | 58% | 0.575 | S | S | * | * | trans | -56.3 | 137.2 | 175.6 | 25 | -32.1 | 0 | 0 | 0 | 107.3 | S304 | P302-S304 WeakPolarHBondContact O-CA 3.4Å; P302-S304 PolarHBondContact O-N 2.94Å | ||
| 303 | L | 55.7 | Low | 65.6 | Low | 144 Ų | 144 | 88.9 Ų | 88.9 | 75% | 0.754 | 55% | 0.554 | S | S | * | * | trans | -37 | 106.2 | 169.2 | -69.4 | 161.5 | 0 | 0 | 0 | 107.4 | Q301 D305 | Q301-L303 PolarHBondContact O-N 3.3Å; L303-D305 PolarHBondContact O-N 2.98Å | ||
| 304 | S | 57 | Low | 67.9 | Low | 30 Ų | 30 | 87.8 Ų | 87.8 | 21% | 0.21 | 54% | 0.539 | C | S | . | . | trans | -50.9 | 128.7 | -170.2 | 37 | 0 | 0 | 0 | 0 | 108.6 | P302 N306 L309 | P302-S304 WeakPolarHBondContact O-CA 3.4Å; P302-S304 PolarHBondContact O-N 2.94Å; S304-N306 CarbonylContact O-C 3.58Å; S304-N306 PolarHBondContact O-N 3.2Å; S304-L309 WeakPolarHBondContact OG-CB 3.27Å; S304-L309 WeakPolarHBondContact OG-CD2 3.22Å; S304-L309 WeakPolarHBondContact OG-CG 3.49Å | ||
| 305 | D | 67.9 | Low | 70.5 | Confident | 171 Ų | 171 | 83.4 Ų | 83.4 | 91% | 0.914 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -55.6 | -0.3 | 174.5 | -74.1 | -69.2 | 0 | 0 | 0 | 113.4 | L303 P307 | L303-D305 PolarHBondContact O-N 2.98Å; D305-P307 WeakPolarHBondContact O-CD 3.31Å |
| 306 | N | 81.9 | Confident | 72.7 | Confident | 29 Ų | 29 | 81.2 Ų | 81.2 | 16% | 0.155 | 48% | 0.475 | C | S | . | . | trans | -87.5 | 112 | 170.5 | -165.5 | -86.8 | 0 | 0 | 0 | 111.3 | S304 G308 L309 A310 V363 | S304-N306 CarbonylContact O-C 3.58Å; S304-N306 PolarHBondContact O-N 3.2Å; N306-G308 PolarHBondContact O-N 3.13Å; N306-G308 WeakPolarHBondContact OD1-CA 3.49Å; N306-G308 PolarHBondContact OD1-N 2.95Å; N306-G308 VanDerWaalsContact OD1-N 3.1Å; N306-L309 HydrophobicContact CB-CB 4.06Å; N306-L309 PolarHBondContact O-N 3.08Å; N306-L309 PolarHBondContact OD1-N 3.24Å; N306-A310 PolarHBondContact O-N 2.92Å; N306-A310 VanDerWaalsContact O-N 3.08Å; N306-V363 VanDerWaalsContact OD1-CG2 3.27Å; N306-V363 WeakPolarHBondContact OD1-CG2 3.42Å | ||
| 307 | P | 87.4 | Confident | 75.1 | Confident | 87 Ų | 87 | 79.8 Ų | 79.8 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.6 | -28.1 | -179.2 | 26.1 | -34.8 | 0 | 0 | 0 | 112.7 | D305 K311 | D305-P307 WeakPolarHBondContact O-CD 3.31Å; P307-K311 WeakPolarHBondContact O-CG 3.39Å; P307-K311 PolarHBondContact O-N 3.05Å; P307-K311 VanDerWaalsContact O-N 3.13Å |
| 308 | G | 91.1 | Very high | 77.3 | Confident | 6 Ų | 6 | 76.8 Ų | 76.8 | 6% | 0.062 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -67.8 | -46.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N306 A310 K311 V312 | N306-G308 PolarHBondContact O-N 3.13Å; N306-G308 WeakPolarHBondContact OD1-CA 3.49Å; N306-G308 PolarHBondContact OD1-N 2.95Å; N306-G308 VanDerWaalsContact OD1-N 3.1Å; G308-A310 PolarHBondContact O-N 3.22Å; G308-K311 PolarHBondContact O-N 3.05Å; G308-V312 WeakPolarHBondContact O-CG2 3.34Å; G308-V312 PolarHBondContact O-N 3.32Å |
| 309 | L | 92.6 | Very high | 79.6 | Confident | 35 Ų | 35 | 69.9 Ų | 69.9 | 18% | 0.183 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.1 | -41 | 177.4 | -169.5 | 55.4 | 0 | 0 | 0 | 112 | S304 N306 K311 V312 Q313 V363 A366 | S304-L309 WeakPolarHBondContact OG-CB 3.27Å; S304-L309 WeakPolarHBondContact OG-CD2 3.22Å; S304-L309 WeakPolarHBondContact OG-CG 3.49Å; N306-L309 HydrophobicContact CB-CB 4.06Å; N306-L309 PolarHBondContact O-N 3.08Å; N306-L309 PolarHBondContact OD1-N 3.24Å; L309-K311 VanDerWaalsContact C-N 3.34Å; L309-K311 PolarHBondContact O-N 3.45Å; L309-V312 PolarHBondContact O-N 3.3Å; L309-Q313 WeakPolarHBondContact O-CG 3.38Å; L309-Q313 PolarHBondContact O-N 3.25Å; L309-V363 HydrophobicContact CB-CG2 4.15Å; L309-A366 HydrophobicContact CD1-CB 3.87Å |
| 310 | A | 92.2 | Very high | 82.4 | Confident | 34 Ų | 34 | 73.1 Ų | 73.1 | 28% | 0.281 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N306 G308 Q313 Q314 | N306-A310 PolarHBondContact O-N 2.92Å; N306-A310 VanDerWaalsContact O-N 3.08Å; G308-A310 PolarHBondContact O-N 3.22Å; A310-Q313 PolarHBondContact O-N 2.78Å; A310-Q314 PolarHBondContact O-N 3.07Å |
| 311 | K | 93.9 | Very high | 84.5 | Confident | 109 Ų | 109 | 68.8 Ų | 68.8 | 47% | 0.474 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 174.3 | -76.6 | 179.8 | 178.4 | -175.6 | 0 | 112.4 | P307 G308 L309 Q313 Q314 V315 V355 | P307-K311 WeakPolarHBondContact O-CG 3.39Å; P307-K311 PolarHBondContact O-N 3.05Å; P307-K311 VanDerWaalsContact O-N 3.13Å; G308-K311 PolarHBondContact O-N 3.05Å; L309-K311 VanDerWaalsContact C-N 3.34Å; L309-K311 PolarHBondContact O-N 3.45Å; K311-Q313 VanDerWaalsContact C-N 3.31Å; K311-Q313 PolarHBondContact O-N 2.99Å; K311-Q314 WeakPolarHBondContact O-CB 3.44Å; K311-Q314 PolarHBondContact O-N 2.9Å; K311-V315 WeakPolarHBondContact O-CG2 3.47Å; K311-V315 PolarHBondContact O-N 3.46Å; K311-V355 HydrophobicContact CB-CG2 3.91Å; K311-V355 HydrophobicContact CD-CG2 4.33Å |
| 312 | V | 95.2 | Very high | 86.7 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.024 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 176.9 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | G308 L309 Q314 V315 M316 L352 V355 V363 A366 R367 A370 | G308-V312 WeakPolarHBondContact O-CG2 3.34Å; G308-V312 PolarHBondContact O-N 3.32Å; L309-V312 PolarHBondContact O-N 3.3Å; V312-Q314 VanDerWaalsContact C-N 3.33Å; V312-Q314 PolarHBondContact O-N 2.99Å; V312-V315 PolarHBondContact O-N 3.19Å; V312-M316 HydrophobicContact CG1-CG 4.31Å; V312-M316 WeakPolarHBondContact O-CB 3.44Å; V312-M316 VanDerWaalsContact O-CG 3.26Å; V312-M316 WeakPolarHBondContact O-CG 3.48Å; V312-M316 PolarHBondContact O-N 2.6Å; V312-L352 HydrophobicContact CB-CD1 4.32Å; V312-L352 HydrophobicContact CG1-CD1 4.14Å; V312-L352 HydrophobicContact CG2-CD1 3.85Å; V312-V355 HydrophobicContact CG2-CG1 4.06Å; V312-V355 HydrophobicContact CG2-CG2 4.36Å; V312-V363 HydrophobicContact CG2-CG1 4.46Å; V312-A366 HydrophobicContact CG1-CB 3.83Å; V312-R367 HydrophobicContact CG2-CB 4.46Å; V312-A370 HydrophobicContact CG1-CB 4.14Å |
| 313 | Q | 94.4 | Very high | 89 | Confident | 91 Ų | 91 | 57.8 Ų | 57.8 | 43% | 0.425 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 176.6 | -73.1 | 178 | -13.3 | 0 | 0 | 112.1 | L309 A310 K311 M316 A317 | L309-Q313 WeakPolarHBondContact O-CG 3.38Å; L309-Q313 PolarHBondContact O-N 3.25Å; A310-Q313 PolarHBondContact O-N 2.78Å; K311-Q313 VanDerWaalsContact C-N 3.31Å; K311-Q313 PolarHBondContact O-N 2.99Å; Q313-M316 PolarHBondContact O-N 3.14Å; Q313-A317 PolarHBondContact O-N 2.89Å |
| 314 | Q | 95.4 | Very high | 91 | Very high | 98 Ų | 98 | 55.1 Ų | 55.1 | 46% | 0.458 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 176.1 | -179.7 | 178.2 | -26.7 | 0 | 0 | 112 | A310 K311 V312 M316 A317 R318 | A310-Q314 PolarHBondContact O-N 3.07Å; K311-Q314 WeakPolarHBondContact O-CB 3.44Å; K311-Q314 PolarHBondContact O-N 2.9Å; V312-Q314 VanDerWaalsContact C-N 3.33Å; V312-Q314 PolarHBondContact O-N 2.99Å; Q314-M316 VanDerWaalsContact C-N 3.33Å; Q314-M316 PolarHBondContact O-N 3.28Å; Q314-A317 PolarHBondContact O-N 2.88Å; Q314-R318 PolarHBondContact O-N 3.16Å; Q314-R318 VanDerWaalsContact O-N 3.15Å |
| 315 | V | 95.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 174.1 | 170.3 | 0 | 0 | 0 | 0 | 109.9 | K311 V312 A317 R318 V319 E348 E351 L352 I374 | K311-V315 WeakPolarHBondContact O-CG2 3.47Å; K311-V315 PolarHBondContact O-N 3.46Å; V312-V315 PolarHBondContact O-N 3.19Å; V315-A317 VanDerWaalsContact C-N 3.3Å; V315-A317 PolarHBondContact O-N 3.39Å; V315-R318 WeakPolarHBondContact O-CA 3.43Å; V315-R318 WeakPolarHBondContact O-CB 3.41Å; V315-R318 PolarHBondContact O-N 3.39Å; V315-V319 HydrophobicContact CG1-CG2 4Å; V315-V319 VanDerWaalsContact O-CG2 3.25Å; V315-V319 WeakPolarHBondContact O-CG2 3.45Å; V315-V319 PolarHBondContact O-N 3.4Å; V315-E348 HydrophobicContact CG1-CB 4.16Å; V315-E351 HydrophobicContact CG2-CB 4.4Å; V315-E351 HydrophobicContact CG2-CG 4.13Å; V315-L352 HydrophobicContact CB-CD1 4.5Å; V315-L352 HydrophobicContact CG1-CB 4.32Å; V315-L352 HydrophobicContact CG1-CD1 4.35Å; V315-I374 HydrophobicContact CG1-CD1 4.42Å |
| 316 | M | 95.3 | Very high | 94.1 | Very high | 58 Ų | 58 | 48.4 Ų | 48.4 | 29% | 0.286 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.2 | -38.6 | 178.5 | -78.3 | -66.4 | -71.8 | 0 | 0 | 113.3 | V312 Q313 Q314 R318 V319 Q320 A370 | V312-M316 HydrophobicContact CG1-CG 4.31Å; V312-M316 WeakPolarHBondContact O-CB 3.44Å; V312-M316 VanDerWaalsContact O-CG 3.26Å; V312-M316 WeakPolarHBondContact O-CG 3.48Å; V312-M316 PolarHBondContact O-N 2.6Å; Q313-M316 PolarHBondContact O-N 3.14Å; Q314-M316 VanDerWaalsContact C-N 3.33Å; Q314-M316 PolarHBondContact O-N 3.28Å; M316-R318 VanDerWaalsContact C-N 3.34Å; M316-V319 PolarHBondContact O-N 2.97Å; M316-Q320 PolarHBondContact O-N 3.41Å; M316-A370 HydrophobicContact CG-CB 3.8Å; M316-A370 VanDerWaalsContact SD-CA 3.5Å; M316-A370 HydrophobicContact SD-CB 3.37Å; M316-A370 WeakPolarHBondContact SD-CB 3.45Å |
| 317 | A | 96.1 | Very high | 94.7 | Very high | 54 Ų | 54 | 49.9 Ų | 49.9 | 45% | 0.446 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q313 Q314 V315 Q320 L321 | Q313-A317 PolarHBondContact O-N 2.89Å; Q314-A317 PolarHBondContact O-N 2.88Å; V315-A317 VanDerWaalsContact C-N 3.3Å; V315-A317 PolarHBondContact O-N 3.39Å; A317-Q320 WeakPolarHBondContact O-CB 3.31Å; A317-Q320 PolarHBondContact O-N 2.84Å; A317-L321 WeakPolarHBondContact O-CG 3.31Å; A317-L321 PolarHBondContact O-N 3.49Å |
| 318 | R | 95.4 | Very high | 95.1 | Very high | 65 Ų | 65 | 53.4 Ų | 53.4 | 25% | 0.245 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 176.1 | -67.6 | -177.2 | -173.2 | 161.4 | 3.7 | 112.7 | W11 Q314 V315 M316 Q320 L321 L322 E348 E351 | W11-R318 HydrophobicContact CH2-CB 3.87Å; W11-R318 HydrophobicContact CH2-CG 4.38Å; W11-R318 HydrophobicContact CZ2-CB 3.59Å; W11-R318 HydrophobicContact CZ2-CG 3.77Å; Q314-R318 PolarHBondContact O-N 3.16Å; Q314-R318 VanDerWaalsContact O-N 3.15Å; V315-R318 WeakPolarHBondContact O-CA 3.43Å; V315-R318 WeakPolarHBondContact O-CB 3.41Å; V315-R318 PolarHBondContact O-N 3.39Å; M316-R318 VanDerWaalsContact C-N 3.34Å; R318-Q320 VanDerWaalsContact C-N 3.26Å; R318-Q320 PolarHBondContact O-N 3.02Å; R318-L321 WeakPolarHBondContact O-CB 3.37Å; R318-L321 PolarHBondContact O-N 3.35Å; R318-L321 VanDerWaalsContact O-N 3.08Å; R318-L322 PolarHBondContact O-N 3.18Å; R318-E348 WeakPolarHBondContact CD-OE1 3.44Å; R318-E348 IonicContact CZ-OE1 3.23Å; R318-E348 IonicContact NE-OE1 2.78Å; R318-E348 IonicContact NH1-OE1 3.82Å; R318-E348 PolarHBondContact NH1-OE1 3.48Å; R318-E348 VanDerWaalsContact NH1-OE1 3.17Å; R318-E348 IonicContact NH1-OE2 3.87Å; R318-E351 IonicContact CZ-OE1 3.56Å; R318-E351 IonicContact CZ-OE2 3.34Å; R318-E351 VanDerWaalsContact NH1-CD 3.33Å; R318-E351 IonicContact NH1-OE1 3.7Å; R318-E351 PolarHBondContact NH1-OE1 3.34Å; R318-E351 IonicContact NH1-OE2 3.59Å; R318-E351 PolarHBondContact NH1-OE2 3.37Å; R318-E351 IonicContact NH2-OE1 3.26Å |
| 319 | V | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.4 | -35.9 | 176.5 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | V315 M316 L321 L322 Q323 E348 R373 I374 I377 | V315-V319 HydrophobicContact CG1-CG2 4Å; V315-V319 VanDerWaalsContact O-CG2 3.25Å; V315-V319 WeakPolarHBondContact O-CG2 3.45Å; V315-V319 PolarHBondContact O-N 3.4Å; M316-V319 PolarHBondContact O-N 2.97Å; V319-L321 VanDerWaalsContact C-N 3.32Å; V319-L321 PolarHBondContact O-N 2.86Å; V319-L322 PolarHBondContact O-N 3.37Å; V319-Q323 WeakPolarHBondContact O-CB 3.26Å; V319-Q323 PolarHBondContact O-N 3.49Å; V319-E348 HydrophobicContact CG2-CB 4.13Å; V319-E348 HydrophobicContact CG2-CG 4.35Å; V319-R373 HydrophobicContact CG1-CG 4.39Å; V319-I374 HydrophobicContact CB-CG1 4.32Å; V319-I374 HydrophobicContact CG1-CG1 3.8Å; V319-I374 HydrophobicContact CG2-CD1 3.75Å; V319-I374 HydrophobicContact CG2-CG1 3.46Å; V319-I374 VanDerWaalsContact CG2-CG1 3.46Å; V319-I377 HydrophobicContact CG1-CD1 3.4Å |
| 320 | Q | 96.8 | Very high | 95.3 | Very high | 110 Ų | 110 | 57.9 Ų | 57.9 | 51% | 0.514 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 173.8 | -177 | 177.3 | -11.3 | 0 | 0 | 111.8 | M316 A317 R318 Q323 E324 | M316-Q320 PolarHBondContact O-N 3.41Å; A317-Q320 WeakPolarHBondContact O-CB 3.31Å; A317-Q320 PolarHBondContact O-N 2.84Å; R318-Q320 VanDerWaalsContact C-N 3.26Å; R318-Q320 PolarHBondContact O-N 3.02Å; Q320-Q323 WeakPolarHBondContact O-CB 3.36Å; Q320-Q323 PolarHBondContact O-N 3.3Å; Q320-E324 PolarHBondContact O-N 3.29Å |
| 321 | L | 96 | Very high | 95.4 | Very high | 41 Ų | 41 | 56.4 Ų | 56.4 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.6 | -41.9 | 176.6 | -57.5 | -177 | 0 | 0 | 0 | 111.8 | K8 W11 A317 R318 V319 Q323 E324 D325 | K8-L321 HydrophobicContact CD-CD1 4.37Å; K8-L321 HydrophobicContact CD-CD2 4.37Å; K8-L321 VanDerWaalsContact CE-CB 3.49Å; K8-L321 HydrophobicContact CG-CD1 4Å; W11-L321 HydrophobicContact CZ2-CB 4.24Å; W11-L321 HydrophobicContact CZ2-CD1 4.13Å; A317-L321 WeakPolarHBondContact O-CG 3.31Å; A317-L321 PolarHBondContact O-N 3.49Å; R318-L321 WeakPolarHBondContact O-CB 3.37Å; R318-L321 PolarHBondContact O-N 3.35Å; R318-L321 VanDerWaalsContact O-N 3.08Å; V319-L321 VanDerWaalsContact C-N 3.32Å; V319-L321 PolarHBondContact O-N 2.86Å; L321-Q323 VanDerWaalsContact C-N 3.26Å; L321-Q323 PolarHBondContact O-N 2.97Å; L321-E324 WeakPolarHBondContact O-CB 3.4Å; L321-E324 PolarHBondContact O-N 2.82Å; L321-E324 VanDerWaalsContact O-N 3.16Å; L321-D325 PolarHBondContact O-N 3.38Å; L321-D325 VanDerWaalsContact O-N 3.08Å |
| 322 | L | 95.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.7 | -35.3 | 174.6 | -74.2 | 169.4 | 0 | 0 | 0 | 112 | W11 R318 V319 E324 D325 V326 L341 L344 L345 E348 | W11-L322 HydrophobicContact CH2-CD1 3.86Å; W11-L322 HydrophobicContact CH2-CD2 3.98Å; W11-L322 HydrophobicContact CH2-CG 3.58Å; W11-L322 HydrophobicContact CZ3-CD1 4.18Å; W11-L322 HydrophobicContact CZ3-CD2 3.66Å; W11-L322 HydrophobicContact CZ3-CG 3.82Å; R318-L322 PolarHBondContact O-N 3.18Å; V319-L322 PolarHBondContact O-N 3.37Å; L322-E324 VanDerWaalsContact C-N 3.35Å; L322-D325 PolarHBondContact O-N 3.5Å; L322-V326 WeakPolarHBondContact O-CB 3.48Å; L322-V326 VanDerWaalsContact O-CG2 3.23Å; L322-V326 WeakPolarHBondContact O-CG2 3.49Å; L322-V326 PolarHBondContact O-N 2.98Å; L322-L341 HydrophobicContact CD2-CD2 4.1Å; L322-L344 HydrophobicContact CD1-CB 4.1Å; L322-L344 HydrophobicContact CD2-CB 3.72Å; L322-L344 HydrophobicContact CD2-CD1 3.94Å; L322-L344 HydrophobicContact CD2-CG 4.48Å; L322-L345 HydrophobicContact CB-CD2 3.87Å; L322-L345 HydrophobicContact CB-CG 4.43Å; L322-L345 HydrophobicContact CD1-CD2 3.85Å; L322-L345 HydrophobicContact CD1-CG 4.13Å; L322-L345 HydrophobicContact CG-CD2 4.44Å; L322-E348 HydrophobicContact CD1-CG 3.96Å |
| 323 | Q | 96.4 | Very high | 95.4 | Very high | 46 Ų | 46 | 62.1 Ų | 62.1 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 173.6 | -174.1 | -179.3 | -22.7 | 0 | 0 | 110.8 | V319 Q320 L321 D325 V326 D327 I377 | V319-Q323 WeakPolarHBondContact O-CB 3.26Å; V319-Q323 PolarHBondContact O-N 3.49Å; Q320-Q323 WeakPolarHBondContact O-CB 3.36Å; Q320-Q323 PolarHBondContact O-N 3.3Å; L321-Q323 VanDerWaalsContact C-N 3.26Å; L321-Q323 PolarHBondContact O-N 2.97Å; Q323-D325 VanDerWaalsContact C-N 3.32Å; Q323-D325 PolarHBondContact O-N 2.65Å; Q323-V326 PolarHBondContact O-N 3.15Å; Q323-D327 WeakPolarHBondContact O-CB 3.36Å; Q323-D327 PolarHBondContact O-N 3.32Å; Q323-I377 HydrophobicContact CB-CD1 3.77Å; Q323-I377 HydrophobicContact CB-CG1 4.19Å; Q323-I377 HydrophobicContact CG-CD1 4.15Å; Q323-I377 HydrophobicContact CG-CG1 4.1Å |
| 324 | E | 97 | Very high | 95.3 | Very high | 88 Ų | 88 | 62.1 Ų | 62.1 | 41% | 0.411 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.3 | -45.4 | 175.5 | -64.7 | 166.6 | 177.3 | 0 | 0 | 111.5 | K8 Q320 L321 L322 V326 D327 E328 | K8-E324 IonicContact NZ-OE2 3.98Å; K8-E324 PolarHBondContact NZ-OE2 3.08Å; Q320-E324 PolarHBondContact O-N 3.29Å; L321-E324 WeakPolarHBondContact O-CB 3.4Å; L321-E324 PolarHBondContact O-N 2.82Å; L321-E324 VanDerWaalsContact O-N 3.16Å; L322-E324 VanDerWaalsContact C-N 3.35Å; E324-V326 PolarHBondContact O-N 3.01Å; E324-D327 WeakPolarHBondContact O-CB 3.37Å; E324-D327 PolarHBondContact O-N 3.14Å; E324-D327 VanDerWaalsContact O-N 3.09Å; E324-E328 PolarHBondContact O-N 3.22Å |
| 325 | D | 95.3 | Very high | 95.3 | Very high | 60 Ų | 60 | 59.6 Ų | 59.6 | 32% | 0.321 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.1 | -37.6 | -179.6 | -60.4 | -12.7 | 0 | 0 | 0 | 111.6 | K8 L321 L322 Q323 D327 E328 F329 L341 | K8-D325 IonicContact NZ-OD1 2.82Å; L321-D325 PolarHBondContact O-N 3.38Å; L321-D325 VanDerWaalsContact O-N 3.08Å; L322-D325 PolarHBondContact O-N 3.5Å; Q323-D325 VanDerWaalsContact C-N 3.32Å; Q323-D325 PolarHBondContact O-N 2.65Å; D325-D327 VanDerWaalsContact C-N 3.31Å; D325-E328 PolarHBondContact O-N 3.19Å; D325-F329 WeakPolarHBondContact O-CB 3.46Å; D325-F329 PolarHBondContact O-N 2.93Å; D325-L341 HydrophobicContact CB-CD2 3.71Å |
| 326 | V | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.2 | -33.2 | 172 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | L322 Q323 E324 E328 F329 L341 L345 I377 R380 L381 K384 | L322-V326 WeakPolarHBondContact O-CB 3.48Å; L322-V326 VanDerWaalsContact O-CG2 3.23Å; L322-V326 WeakPolarHBondContact O-CG2 3.49Å; L322-V326 PolarHBondContact O-N 2.98Å; Q323-V326 PolarHBondContact O-N 3.15Å; E324-V326 PolarHBondContact O-N 3.01Å; V326-E328 VanDerWaalsContact C-N 3.34Å; V326-F329 WeakPolarHBondContact O-CB 3.39Å; V326-F329 PolarHBondContact O-N 3.07Å; V326-L341 HydrophobicContact CG2-CB 4.44Å; V326-L341 HydrophobicContact CG2-CD1 4.13Å; V326-L341 HydrophobicContact CG2-CD2 4.42Å; V326-L345 HydrophobicContact CG2-CD1 4.11Å; V326-I377 HydrophobicContact CB-CG2 4.07Å; V326-I377 HydrophobicContact CG1-CG2 4.16Å; V326-I377 HydrophobicContact CG2-CG2 3.78Å; V326-R380 HydrophobicContact CG1-CG 4.48Å; V326-L381 HydrophobicContact CG1-CB 3.81Å; V326-L381 HydrophobicContact CG1-CD1 4.27Å; V326-L381 HydrophobicContact CG2-CB 4.21Å; V326-L381 HydrophobicContact CG2-CD1 4.21Å; V326-L381 HydrophobicContact CG2-CD2 4.39Å; V326-L381 HydrophobicContact CG2-CG 4.49Å; V326-K384 WeakPolarHBondContact O-CD 3.23Å; V326-K384 PolarHBondContact O-NZ 3.37Å |
| 327 | D | 94.8 | Very high | 95.3 | Very high | 60 Ų | 60 | 66 Ų | 66 | 32% | 0.321 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -71.5 | -32 | 179.3 | -73.3 | 15.7 | 0 | 0 | 0 | 112 | Q323 E324 D325 R380 K384 | Q323-D327 WeakPolarHBondContact O-CB 3.36Å; Q323-D327 PolarHBondContact O-N 3.32Å; E324-D327 WeakPolarHBondContact O-CB 3.37Å; E324-D327 PolarHBondContact O-N 3.14Å; E324-D327 VanDerWaalsContact O-N 3.09Å; D325-D327 VanDerWaalsContact C-N 3.31Å; D327-R380 IonicContact OD1-CZ 3.12Å; D327-R380 IonicContact OD1-NE 2.84Å; D327-R380 IonicContact OD1-NH1 3.1Å; D327-R380 PolarHBondContact OD1-NH1 3.22Å; D327-R380 IonicContact OD1-NH2 3.97Å; D327-R380 PolarHBondContact OD1-NH2 3.43Å; D327-R380 VanDerWaalsContact OD1-NH2 3.12Å; D327-R380 IonicContact OD2-CZ 3.12Å; D327-R380 IonicContact OD2-NH1 2.6Å; D327-R380 PolarHBondContact OD2-NH1 3.33Å; D327-R380 IonicContact OD2-NH2 2.82Å; D327-R380 PolarHBondContact OD2-NH2 3.43Å; D327-R380 VanDerWaalsContact OD2-NH2 3.12Å; D327-K384 PolarHBondContact O-NZ 3.48Å |
| 328 | E | 95.3 | Very high | 95.3 | Very high | 162 Ų | 162 | 63.7 Ų | 63.7 | 76% | 0.757 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -83.5 | -25.8 | 171.9 | -171.8 | 171.6 | -176.4 | 0 | 0 | 112.7 | E324 D325 V326 V330 | E324-E328 PolarHBondContact O-N 3.22Å; D325-E328 PolarHBondContact O-N 3.19Å; V326-E328 VanDerWaalsContact C-N 3.34Å; E328-V330 PolarHBondContact O-N 3.44Å |
| 329 | F | 95.6 | Very high | 95.4 | Very high | 14 Ų | 14 | 68 Ų | 68 | 6% | 0.061 | 33% | 0.326 | C | S | . | . | trans | -54.2 | 127.3 | -176.4 | 174.1 | -95.9 | 0 | 0 | 0 | 113.1 | D325 V326 S337 Y338 L341 L381 K384 A385 | D325-F329 WeakPolarHBondContact O-CB 3.46Å; D325-F329 PolarHBondContact O-N 2.93Å; V326-F329 WeakPolarHBondContact O-CB 3.39Å; V326-F329 PolarHBondContact O-N 3.07Å; F329-S337 WeakPolarHBondContact CE2-OG 3.41Å; F329-Y338 HydrophobicContact CE1-CD2 4.28Å; F329-Y338 HydrophobicContact CZ-CD2 4.21Å; F329-Y338 HydrophobicContact CZ-CG 4.47Å; F329-L341 HydrophobicContact CB-CD1 3.91Å; F329-L341 HydrophobicContact CD2-CD1 3.83Å; F329-L341 HydrophobicContact CG-CD1 4.01Å; F329-L381 HydrophobicContact CB-CD1 4.45Å; F329-L381 HydrophobicContact CD1-CD1 3.58Å; F329-L381 HydrophobicContact CE1-CD1 3.93Å; F329-L381 HydrophobicContact CG-CD1 3.92Å; F329-K384 HydrophobicContact CD1-CB 4.49Å; F329-K384 WeakPolarHBondContact O-CE 3.41Å; F329-K384 PolarHBondContact O-NZ 3.26Å; F329-A385 HydrophobicContact CE1-CB 4.03Å | ||
| 330 | V | 92.7 | Very high | 95.4 | Very high | 120 Ų | 120 | 68.6 Ų | 68.6 | 73% | 0.727 | 33% | 0.33 | S | S | * | . | trans | -134.8 | 116.3 | 169.6 | -179.6 | 0 | 0 | 0 | 0 | 107.1 | E328 F386 | E328-V330 PolarHBondContact O-N 3.44Å; V330-F386 HydrophobicContact CG1-CE1 4.1Å | ||
| 331 | G | 93.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 64 Ų | 64 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | S | Bend | trans | 174.9 | -173.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D335 A385 F386 | G331-D335 WeakPolarHBondContact CA-OD2 3.29Å; G331-A385 VanDerWaalsContact O-CA 3.28Å; G331-A385 WeakPolarHBondContact O-CA 3.33Å; G331-F386 VanDerWaalsContact C-CE1 3.46Å; G331-F386 WeakPolarHBondContact O-CD1 3.45Å; G331-F386 WeakPolarHBondContact O-CE1 3.49Å; G331-F386 PolarHBondContact O-N 3.3Å |
| 332 | R | 94.6 | Very high | 95.4 | Very high | 136 Ų | 136 | 65.1 Ų | 65.1 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | trans | -100.9 | 161.3 | 178.3 | -62 | -178.1 | -65.4 | -175.2 | 0.4 | 111.4 | T334 D335 Y338 F386 | R332-T334 PolarHBondContact O-N 3.3Å; R332-T334 VanDerWaalsContact O-N 3.09Å; R332-D335 PolarHBondContact N-OD2 3.29Å; R332-D335 IonicContact NE-OD1 3.99Å; R332-D335 WeakPolarHBondContact O-CB 3.47Å; R332-D335 PolarHBondContact O-N 3.24Å; R332-Y338 WeakPolarHBondContact O-CB 3.33Å; R332-F386 HydrophobicContact CG-CD2 3.49Å; R332-F386 VanDerWaalsContact CG-CD2 3.49Å; R332-F386 HydrophobicContact CG-CE2 3.25Å; R332-F386 HydrophobicContact CG-CG 4.38Å; R332-F386 HydrophobicContact CG-CZ 3.98Å; R332-F386 WeakPolarHBondContact CG-O 3.33Å | ||
| 333 | K | 95.2 | Very high | 95.6 | Very high | 98 Ų | 98 | 71.7 Ų | 71.7 | 43% | 0.426 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -20.2 | 173.1 | -62.9 | -170.6 | 71.2 | 157 | 0 | 113.2 | D335 Y338 E382 A385 | K333-D335 VanDerWaalsContact C-N 3.31Å; K333-Y338 HydrophobicContact CB-CD1 4.38Å; K333-Y338 HydrophobicContact CB-CE1 4.34Å; K333-Y338 WeakPolarHBondContact CE-OH 3.49Å; K333-Y338 HydrophobicContact CG-CD2 4.41Å; K333-Y338 HydrophobicContact CG-CE2 4.01Å; K333-Y338 WeakPolarHBondContact O-CD1 3.39Å; K333-E382 IonicContact NZ-OE1 3.8Å; K333-E382 PolarHBondContact NZ-OE1 3.31Å; K333-A385 HydrophobicContact CB-CB 4.45Å; K333-A385 HydrophobicContact CD-CB 4.5Å; K333-A385 HydrophobicContact CG-CB 3.46Å; K333-A385 VanDerWaalsContact CG-CB 3.46Å |
| 334 | T | 93.3 | Very high | 95.6 | Very high | 90 Ų | 90 | 70.7 Ų | 70.7 | 55% | 0.552 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -14.9 | 175.8 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | R332 | R332-T334 PolarHBondContact O-N 3.3Å; R332-T334 VanDerWaalsContact O-N 3.09Å |
| 335 | D | 95.6 | Very high | 95.6 | Very high | 45 Ų | 45 | 66.5 Ų | 66.5 | 24% | 0.241 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -76.4 | 146.1 | -171.3 | -62.6 | -10.4 | 0 | 0 | 0 | 110.8 | G331 R332 K333 S337 Y338 R339 | G331-D335 WeakPolarHBondContact CA-OD2 3.29Å; R332-D335 PolarHBondContact N-OD2 3.29Å; R332-D335 IonicContact NE-OD1 3.99Å; R332-D335 WeakPolarHBondContact O-CB 3.47Å; R332-D335 PolarHBondContact O-N 3.24Å; K333-D335 VanDerWaalsContact C-N 3.31Å; D335-S337 PolarHBondContact O-N 3.48Å; D335-Y338 WeakPolarHBondContact O-CB 3.24Å; D335-Y338 PolarHBondContact O-N 2.73Å; D335-R339 PolarHBondContact O-N 2.75Å |
| 336 | K | 95.9 | Very high | 95.7 | Very high | 160 Ų | 160 | 66.2 Ų | 66.2 | 70% | 0.696 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.5 | -33.6 | -180 | -174.1 | -176.3 | 175.4 | -168.3 | 0 | 112 | R339 C340 | K336-R339 PolarHBondContact O-N 3.12Å; K336-C340 PolarHBondContact O-N 3.12Å |
| 337 | S | 94.6 | Very high | 95.8 | Very high | 35 Ų | 35 | 72 Ų | 72 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 176.4 | 40.4 | 0 | 0 | 0 | 0 | 111.9 | F329 D335 C340 L341 | F329-S337 WeakPolarHBondContact CE2-OG 3.41Å; D335-S337 PolarHBondContact O-N 3.48Å; S337-C340 PolarHBondContact O-N 2.92Å; S337-L341 WeakPolarHBondContact O-CG 3.45Å; S337-L341 PolarHBondContact O-N 3.12Å |
| 338 | Y | 96.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58 | -51.2 | 173.1 | 176.1 | -86.6 | 0 | 0 | 0 | 110.7 | F329 R332 K333 D335 C340 L341 E342 L381 E382 A385 | F329-Y338 HydrophobicContact CE1-CD2 4.28Å; F329-Y338 HydrophobicContact CZ-CD2 4.21Å; F329-Y338 HydrophobicContact CZ-CG 4.47Å; R332-Y338 WeakPolarHBondContact O-CB 3.33Å; K333-Y338 HydrophobicContact CB-CD1 4.38Å; K333-Y338 HydrophobicContact CB-CE1 4.34Å; K333-Y338 WeakPolarHBondContact CE-OH 3.49Å; K333-Y338 HydrophobicContact CG-CD2 4.41Å; K333-Y338 HydrophobicContact CG-CE2 4.01Å; K333-Y338 WeakPolarHBondContact O-CD1 3.39Å; D335-Y338 WeakPolarHBondContact O-CB 3.24Å; D335-Y338 PolarHBondContact O-N 2.73Å; Y338-C340 VanDerWaalsContact C-N 3.33Å; Y338-C340 PolarHBondContact O-N 2.86Å; Y338-L341 PolarHBondContact O-N 3.41Å; Y338-E342 HydrophobicContact CE1-CB 4.38Å; Y338-E342 WeakPolarHBondContact CE1-OE1 3.42Å; Y338-E342 WeakPolarHBondContact O-CB 3.41Å; Y338-E342 PolarHBondContact O-N 3.35Å; Y338-E342 PolarHBondContact OH-OE1 2.67Å; Y338-L381 HydrophobicContact CD2-CD1 3.86Å; Y338-L381 HydrophobicContact CD2-CD2 4.22Å; Y338-L381 HydrophobicContact CD2-CG 3.76Å; Y338-L381 HydrophobicContact CE2-CD1 4.24Å; Y338-L381 HydrophobicContact CE2-CD2 4.15Å; Y338-L381 HydrophobicContact CE2-CG 3.65Å; Y338-E382 WeakPolarHBondContact OH-CG 3.34Å; Y338-A385 HydrophobicContact CD2-CB 3.59Å; Y338-A385 HydrophobicContact CE2-CB 3.7Å |
| 339 | R | 96.8 | Very high | 95.9 | Very high | 156 Ų | 156 | 62.8 Ų | 62.8 | 59% | 0.589 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.3 | -41.2 | 179.7 | -66.1 | -175.4 | -177.5 | -177.9 | -0 | 112.5 | D335 K336 E343 | D335-R339 PolarHBondContact O-N 2.75Å; K336-R339 PolarHBondContact O-N 3.12Å; R339-E343 VanDerWaalsContact O-CB 3.25Å; R339-E343 WeakPolarHBondContact O-CB 3.22Å; R339-E343 PolarHBondContact O-N 3.21Å |
| 340 | C | 96.4 | Very high | 95.9 | Very high | 13 Ų | 13 | 68 Ų | 68 | 9% | 0.088 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.4 | -47 | 176.2 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | C15 K336 S337 Y338 E342 E343 L344 | C15-C340 HydrophobicContact CB-CB 4Å; C15-C340 WeakPolarHBondContact CB-SG 3.5Å; C15-C340 WeakPolarHBondContact SG-CB 3.25Å; C15-C340 CovalentContact SG-SG 2.04Å; C15-C340 PolarHBondContact SG-SG 3.16Å; K336-C340 PolarHBondContact O-N 3.12Å; S337-C340 PolarHBondContact O-N 2.92Å; Y338-C340 VanDerWaalsContact C-N 3.33Å; Y338-C340 PolarHBondContact O-N 2.86Å; C340-E342 VanDerWaalsContact C-N 3.34Å; C340-E342 PolarHBondContact O-N 3.13Å; C340-E343 PolarHBondContact O-N 3.12Å; C340-L344 WeakPolarHBondContact O-CB 3.43Å; C340-L344 VanDerWaalsContact O-CG 3.28Å; C340-L344 WeakPolarHBondContact O-CG 3.44Å; C340-L344 PolarHBondContact O-N 3.32Å; C340-L344 WeakPolarHBondContact SG-CD1 3.45Å |
| 341 | L | 97 | Very high | 96 | Very high | 13 Ų | 13 | 65.2 Ų | 65.2 | 7% | 0.068 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 179.8 | -71.2 | 171.7 | 0 | 0 | 0 | 111.7 | L322 D325 V326 F329 S337 Y338 L344 L345 L381 | L322-L341 HydrophobicContact CD2-CD2 4.1Å; D325-L341 HydrophobicContact CB-CD2 3.71Å; V326-L341 HydrophobicContact CG2-CB 4.44Å; V326-L341 HydrophobicContact CG2-CD1 4.13Å; V326-L341 HydrophobicContact CG2-CD2 4.42Å; F329-L341 HydrophobicContact CB-CD1 3.91Å; F329-L341 HydrophobicContact CD2-CD1 3.83Å; F329-L341 HydrophobicContact CG-CD1 4.01Å; S337-L341 WeakPolarHBondContact O-CG 3.45Å; S337-L341 PolarHBondContact O-N 3.12Å; Y338-L341 PolarHBondContact O-N 3.41Å; L341-L344 PolarHBondContact O-N 3.47Å; L341-L345 WeakPolarHBondContact O-CB 3.34Å; L341-L345 WeakPolarHBondContact O-CD1 3.32Å; L341-L345 VanDerWaalsContact O-CG 3.24Å; L341-L345 WeakPolarHBondContact O-CG 3.39Å; L341-L345 PolarHBondContact O-N 3.09Å; L341-L381 HydrophobicContact CB-CD1 4.42Å; L341-L381 HydrophobicContact CB-CD2 3.68Å; L341-L381 HydrophobicContact CD1-CD1 4.01Å |
| 342 | E | 97.1 | Very high | 96.1 | Very high | 65 Ų | 65 | 65.1 Ų | 65.1 | 30% | 0.304 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 175 | -175 | 177.2 | -108.1 | 0 | 0 | 111.8 | Y338 C340 L344 L345 T346 L378 L381 | Y338-E342 HydrophobicContact CE1-CB 4.38Å; Y338-E342 WeakPolarHBondContact CE1-OE1 3.42Å; Y338-E342 WeakPolarHBondContact O-CB 3.41Å; Y338-E342 PolarHBondContact O-N 3.35Å; Y338-E342 PolarHBondContact OH-OE1 2.67Å; C340-E342 VanDerWaalsContact C-N 3.34Å; C340-E342 PolarHBondContact O-N 3.13Å; E342-L344 PolarHBondContact O-N 3.2Å; E342-L345 PolarHBondContact O-N 3.47Å; E342-T346 WeakPolarHBondContact O-CB 3.47Å; E342-T346 WeakPolarHBondContact O-CG2 3.43Å; E342-T346 PolarHBondContact O-N 3.36Å; E342-T346 PolarHBondContact O-OG1 3.27Å; E342-L378 HydrophobicContact CG-CD2 4.24Å; E342-L381 HydrophobicContact CB-CD2 4.29Å |
| 343 | E | 97.6 | Very high | 96.1 | Very high | 137 Ų | 137 | 63.4 Ų | 63.4 | 64% | 0.64 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.3 | -42.6 | 176.4 | -174.2 | -176.5 | 171.2 | 0 | 0 | 111.8 | R339 C340 T346 K347 | R339-E343 VanDerWaalsContact O-CB 3.25Å; R339-E343 WeakPolarHBondContact O-CB 3.22Å; R339-E343 PolarHBondContact O-N 3.21Å; C340-E343 PolarHBondContact O-N 3.12Å; E343-T346 WeakPolarHBondContact CA-OG1 3.42Å; E343-T346 PolarHBondContact O-OG1 3.31Å; E343-K347 VanDerWaalsContact O-CB 3.26Å; E343-K347 WeakPolarHBondContact O-CB 3.23Å; E343-K347 PolarHBondContact O-N 2.87Å |
| 344 | L | 97.6 | Very high | 96 | Very high | 25 Ų | 25 | 62.3 Ų | 62.3 | 13% | 0.131 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68 | -43.8 | 178.3 | -69.7 | 170.8 | 0 | 0 | 0 | 111.7 | W11 L322 C340 L341 E342 K347 E348 | W11-L344 HydrophobicContact CE3-CD1 4.19Å; W11-L344 HydrophobicContact CZ3-CD1 4Å; W11-L344 HydrophobicContact CZ3-CD2 4.31Å; L322-L344 HydrophobicContact CD1-CB 4.1Å; L322-L344 HydrophobicContact CD2-CB 3.72Å; L322-L344 HydrophobicContact CD2-CD1 3.94Å; L322-L344 HydrophobicContact CD2-CG 4.48Å; C340-L344 WeakPolarHBondContact O-CB 3.43Å; C340-L344 VanDerWaalsContact O-CG 3.28Å; C340-L344 WeakPolarHBondContact O-CG 3.44Å; C340-L344 PolarHBondContact O-N 3.32Å; C340-L344 WeakPolarHBondContact SG-CD1 3.45Å; L341-L344 PolarHBondContact O-N 3.47Å; E342-L344 PolarHBondContact O-N 3.2Å; L344-K347 WeakPolarHBondContact O-CB 3.44Å; L344-K347 PolarHBondContact O-N 2.98Å; L344-E348 WeakPolarHBondContact O-CG 3.24Å; L344-E348 PolarHBondContact O-N 3.41Å |
| 345 | L | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -42.7 | 176.5 | -74 | 163.7 | 0 | 0 | 0 | 111.7 | L322 V326 L341 E342 E348 L349 I374 I377 L378 L381 | L322-L345 HydrophobicContact CB-CD2 3.87Å; L322-L345 HydrophobicContact CB-CG 4.43Å; L322-L345 HydrophobicContact CD1-CD2 3.85Å; L322-L345 HydrophobicContact CD1-CG 4.13Å; L322-L345 HydrophobicContact CG-CD2 4.44Å; V326-L345 HydrophobicContact CG2-CD1 4.11Å; L341-L345 WeakPolarHBondContact O-CB 3.34Å; L341-L345 WeakPolarHBondContact O-CD1 3.32Å; L341-L345 VanDerWaalsContact O-CG 3.24Å; L341-L345 WeakPolarHBondContact O-CG 3.39Å; L341-L345 PolarHBondContact O-N 3.09Å; E342-L345 PolarHBondContact O-N 3.47Å; L345-E348 PolarHBondContact O-N 2.85Å; L345-L349 PolarHBondContact O-N 3Å; L345-L349 VanDerWaalsContact O-N 3.16Å; L345-I374 HydrophobicContact CB-CG2 4.2Å; L345-I374 HydrophobicContact CD2-CG2 4.13Å; L345-I377 HydrophobicContact CD1-CG2 3.82Å; L345-I377 HydrophobicContact CD2-CB 4.2Å; L345-I377 HydrophobicContact CD2-CG2 3.75Å; L345-I377 HydrophobicContact CG-CG2 4.46Å; L345-L378 HydrophobicContact CB-CD2 3.71Å; L345-L378 HydrophobicContact CB-CG 3.98Å; L345-L378 HydrophobicContact CD1-CD2 3.72Å; L345-L378 HydrophobicContact CD1-CG 4.04Å; L345-L378 HydrophobicContact CG-CD2 4.36Å; L345-L381 HydrophobicContact CD1-CD2 4.18Å |
| 346 | T | 97.1 | Very high | 95.6 | Very high | 55 Ų | 55 | 62.9 Ų | 62.9 | 34% | 0.337 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.1 | -37.9 | 175.7 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | E342 E343 E348 L349 L350 L378 | E342-T346 WeakPolarHBondContact O-CB 3.47Å; E342-T346 WeakPolarHBondContact O-CG2 3.43Å; E342-T346 PolarHBondContact O-N 3.36Å; E342-T346 PolarHBondContact O-OG1 3.27Å; E343-T346 WeakPolarHBondContact CA-OG1 3.42Å; E343-T346 PolarHBondContact O-OG1 3.31Å; T346-E348 VanDerWaalsContact C-N 3.35Å; T346-E348 PolarHBondContact O-N 3.46Å; T346-L349 WeakPolarHBondContact O-CB 3.06Å; T346-L349 PolarHBondContact O-N 3Å; T346-L349 VanDerWaalsContact O-N 3.12Å; T346-L350 WeakPolarHBondContact O-CD1 3.48Å; T346-L350 PolarHBondContact O-N 3.23Å; T346-L350 VanDerWaalsContact O-N 3.13Å; T346-L378 HydrophobicContact CG2-CD1 4.5Å |
| 347 | K | 97.2 | Very high | 95.3 | Very high | 122 Ų | 122 | 56.9 Ų | 56.9 | 53% | 0.53 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.5 | -44 | 172.3 | -177.8 | -177.6 | 175.7 | -175.5 | 0 | 112.5 | E343 L344 L349 L350 E351 | E343-K347 VanDerWaalsContact O-CB 3.26Å; E343-K347 WeakPolarHBondContact O-CB 3.23Å; E343-K347 PolarHBondContact O-N 2.87Å; L344-K347 WeakPolarHBondContact O-CB 3.44Å; L344-K347 PolarHBondContact O-N 2.98Å; K347-L349 VanDerWaalsContact C-N 3.28Å; K347-L349 PolarHBondContact O-N 3.08Å; K347-L350 PolarHBondContact O-N 3.48Å; K347-E351 PolarHBondContact O-N 3.44Å |
| 348 | E | 97.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 62 Ų | 62 | 2% | 0.023 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.1 | -32 | 176.6 | -66.6 | -57.2 | 144.8 | 0 | 0 | 112 | V315 R318 V319 L322 L344 L345 T346 E351 L352 I374 | V315-E348 HydrophobicContact CG1-CB 4.16Å; R318-E348 WeakPolarHBondContact CD-OE1 3.44Å; R318-E348 IonicContact CZ-OE1 3.23Å; R318-E348 IonicContact NE-OE1 2.78Å; R318-E348 IonicContact NH1-OE1 3.82Å; R318-E348 PolarHBondContact NH1-OE1 3.48Å; R318-E348 VanDerWaalsContact NH1-OE1 3.17Å; R318-E348 IonicContact NH1-OE2 3.87Å; V319-E348 HydrophobicContact CG2-CB 4.13Å; V319-E348 HydrophobicContact CG2-CG 4.35Å; L322-E348 HydrophobicContact CD1-CG 3.96Å; L344-E348 WeakPolarHBondContact O-CG 3.24Å; L344-E348 PolarHBondContact O-N 3.41Å; L345-E348 PolarHBondContact O-N 2.85Å; T346-E348 VanDerWaalsContact C-N 3.35Å; T346-E348 PolarHBondContact O-N 3.46Å; E348-E351 PolarHBondContact O-N 3.32Å; E348-L352 VanDerWaalsContact O-CB 3.24Å; E348-L352 WeakPolarHBondContact O-CB 3.25Å; E348-L352 PolarHBondContact O-N 2.97Å; E348-I374 HydrophobicContact CB-CD1 4.23Å |
| 349 | L | 96.4 | Very high | 94.3 | Very high | 22 Ų | 22 | 65.4 Ų | 65.4 | 12% | 0.115 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 170.7 | -73.4 | 167.5 | 0 | 0 | 0 | 112.1 | L345 T346 K347 E351 L352 D353 V371 I374 Q375 L378 | L345-L349 PolarHBondContact O-N 3Å; L345-L349 VanDerWaalsContact O-N 3.16Å; T346-L349 WeakPolarHBondContact O-CB 3.06Å; T346-L349 PolarHBondContact O-N 3Å; T346-L349 VanDerWaalsContact O-N 3.12Å; K347-L349 VanDerWaalsContact C-N 3.28Å; K347-L349 PolarHBondContact O-N 3.08Å; L349-E351 VanDerWaalsContact C-N 3.33Å; L349-E351 PolarHBondContact O-N 3.17Å; L349-L352 PolarHBondContact O-N 2.82Å; L349-D353 PolarHBondContact O-N 3.49Å; L349-V371 HydrophobicContact CD2-CB 4.44Å; L349-V371 HydrophobicContact CD2-CG1 4.08Å; L349-V371 HydrophobicContact CD2-CG2 4.36Å; L349-I374 HydrophobicContact CD1-CG2 3.99Å; L349-I374 HydrophobicContact CD2-CB 3.86Å; L349-I374 HydrophobicContact CD2-CD1 3.81Å; L349-I374 HydrophobicContact CD2-CG1 4.46Å; L349-I374 HydrophobicContact CD2-CG2 3.85Å; L349-I374 HydrophobicContact CG-CB 4.2Å; L349-I374 HydrophobicContact CG-CD1 4.14Å; L349-I374 HydrophobicContact CG-CG2 3.62Å; L349-Q375 VanDerWaalsContact CD1-NE2 3.26Å; L349-L378 HydrophobicContact CD1-CD1 4.01Å |
| 350 | L | 95.6 | Very high | 94 | Very high | 123 Ų | 123 | 62.3 Ų | 62.3 | 64% | 0.644 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.5 | -40.8 | 178.6 | -80.6 | 84.8 | 0 | 0 | 0 | 111.6 | T346 K347 L352 D353 S354 | T346-L350 WeakPolarHBondContact O-CD1 3.48Å; T346-L350 PolarHBondContact O-N 3.23Å; T346-L350 VanDerWaalsContact O-N 3.13Å; K347-L350 PolarHBondContact O-N 3.48Å; L350-L352 VanDerWaalsContact C-N 3.32Å; L350-L352 PolarHBondContact O-N 3.32Å; L350-D353 PolarHBondContact O-N 3.43Å; L350-S354 PolarHBondContact O-N 2.93Å |
| 351 | E | 94.6 | Very high | 93.8 | Very high | 63 Ų | 63 | 66.2 Ų | 66.2 | 29% | 0.294 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 177.1 | -168.7 | 163.9 | 162 | 0 | 0 | 110.7 | V315 R318 K347 E348 L349 S354 | V315-E351 HydrophobicContact CG2-CB 4.4Å; V315-E351 HydrophobicContact CG2-CG 4.13Å; R318-E351 IonicContact CZ-OE1 3.56Å; R318-E351 IonicContact CZ-OE2 3.34Å; R318-E351 VanDerWaalsContact NH1-CD 3.33Å; R318-E351 IonicContact NH1-OE1 3.7Å; R318-E351 PolarHBondContact NH1-OE1 3.34Å; R318-E351 IonicContact NH1-OE2 3.59Å; R318-E351 PolarHBondContact NH1-OE2 3.37Å; R318-E351 IonicContact NH2-OE1 3.26Å; K347-E351 PolarHBondContact O-N 3.44Å; E348-E351 PolarHBondContact O-N 3.32Å; L349-E351 VanDerWaalsContact C-N 3.33Å; L349-E351 PolarHBondContact O-N 3.17Å; E351-S354 PolarHBondContact O-N 3.09Å; E351-S354 PolarHBondContact O-OG 3.48Å |
| 352 | L | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 176.9 | -170.2 | 62.1 | 0 | 0 | 0 | 113.2 | V312 V315 E348 L349 L350 S354 V355 R367 A370 V371 I374 | V312-L352 HydrophobicContact CB-CD1 4.32Å; V312-L352 HydrophobicContact CG1-CD1 4.14Å; V312-L352 HydrophobicContact CG2-CD1 3.85Å; V315-L352 HydrophobicContact CB-CD1 4.5Å; V315-L352 HydrophobicContact CG1-CB 4.32Å; V315-L352 HydrophobicContact CG1-CD1 4.35Å; E348-L352 VanDerWaalsContact O-CB 3.24Å; E348-L352 WeakPolarHBondContact O-CB 3.25Å; E348-L352 PolarHBondContact O-N 2.97Å; L349-L352 PolarHBondContact O-N 2.82Å; L350-L352 VanDerWaalsContact C-N 3.32Å; L350-L352 PolarHBondContact O-N 3.32Å; L352-S354 PolarHBondContact O-N 3.23Å; L352-V355 WeakPolarHBondContact O-CB 3.36Å; L352-V355 WeakPolarHBondContact O-CG2 3.47Å; L352-V355 PolarHBondContact O-N 3.11Å; L352-V355 VanDerWaalsContact O-N 3.14Å; L352-R367 HydrophobicContact CD1-CG 3.83Å; L352-R367 HydrophobicContact CD2-CG 4.37Å; L352-R367 HydrophobicContact CG-CG 3.71Å; L352-R367 WeakPolarHBondContact O-CD 3.33Å; L352-A370 HydrophobicContact CD1-CB 4.03Å; L352-A370 HydrophobicContact CD2-CB 3.44Å; L352-A370 VanDerWaalsContact CD2-CB 3.44Å; L352-A370 HydrophobicContact CG-CB 4.39Å; L352-V371 HydrophobicContact CD2-CB 4.31Å; L352-V371 HydrophobicContact CD2-CG2 3.47Å; L352-V371 VanDerWaalsContact CD2-CG2 3.47Å; L352-V371 HydrophobicContact CG-CG2 4.26Å; L352-I374 HydrophobicContact CD2-CD1 4.06Å |
| 353 | D | 93.4 | Very high | 93.4 | Very high | 101 Ų | 101 | 66.8 Ų | 66.8 | 54% | 0.54 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.1 | -28.5 | 176.8 | -81.6 | -11.6 | 0 | 0 | 0 | 112.5 | L349 L350 V355 | L349-D353 PolarHBondContact O-N 3.49Å; L350-D353 PolarHBondContact O-N 3.43Å; D353-V355 PolarHBondContact O-N 3.44Å |
| 354 | S | 93.4 | Very high | 93.2 | Very high | 75 Ų | 75 | 66.9 Ų | 66.9 | 52% | 0.524 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -8.9 | 174.7 | 82 | 0 | 0 | 0 | 0 | 114 | L350 E351 L352 E356 | L350-S354 PolarHBondContact O-N 2.93Å; E351-S354 PolarHBondContact O-N 3.09Å; E351-S354 PolarHBondContact O-OG 3.48Å; L352-S354 PolarHBondContact O-N 3.23Å; S354-E356 PolarHBondContact O-N 3.07Å |
| 355 | V | 92.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.024 | 37% | 0.365 | C | S | . | . | trans | -74.9 | 115.4 | -178.9 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | K311 V312 L352 D353 V363 | K311-V355 HydrophobicContact CB-CG2 3.91Å; K311-V355 HydrophobicContact CD-CG2 4.33Å; V312-V355 HydrophobicContact CG2-CG1 4.06Å; V312-V355 HydrophobicContact CG2-CG2 4.36Å; L352-V355 WeakPolarHBondContact O-CB 3.36Å; L352-V355 WeakPolarHBondContact O-CG2 3.47Å; L352-V355 PolarHBondContact O-N 3.11Å; L352-V355 VanDerWaalsContact O-N 3.14Å; D353-V355 PolarHBondContact O-N 3.44Å; V355-V363 HydrophobicContact CG1-CG1 4.09Å | ||
| 356 | E | 89.4 | Confident | 93 | Very high | 143 Ų | 143 | 70.5 Ų | 70.5 | 67% | 0.668 | 37% | 0.373 | S | S | * | . | trans | -72.9 | 126.3 | 171.1 | -67.1 | 177.8 | -170.2 | 0 | 0 | 111.2 | S354 Q358 | S354-E356 PolarHBondContact O-N 3.07Å; E356-Q358 HydrophobicContact CB-CG 4.44Å | ||
| 357 | T | 87.9 | Confident | 93 | Very high | 33 Ų | 33 | 71.5 Ų | 71.5 | 20% | 0.202 | 37% | 0.371 | C | S | . | . | trans | -88.5 | -18.7 | 179 | 57.6 | 0 | 0 | 0 | 0 | 113 | G359 Q360 V363 R364 | T357-G359 PolarHBondContact O-N 2.9Å; T357-Q360 WeakPolarHBondContact O-CB 3.49Å; T357-Q360 WeakPolarHBondContact O-CG 3.47Å; T357-Q360 PolarHBondContact O-N 3.44Å; T357-V363 HydrophobicContact CG2-CB 4.3Å; T357-V363 HydrophobicContact CG2-CG1 4.02Å; T357-R364 HydrophobicContact CG2-CB 4.13Å; T357-R364 HydrophobicContact CG2-CG 4.49Å | ||
| 358 | Q | 84.8 | Confident | 93 | Very high | 144 Ų | 144 | 72.2 Ų | 72.2 | 67% | 0.673 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 28.9 | -178.6 | -59.5 | -170.8 | -22.8 | 0 | 0 | 114.4 | E356 Q360 | E356-Q358 HydrophobicContact CB-CG 4.44Å; Q358-Q360 VanDerWaalsContact C-N 3.3Å; Q358-Q360 PolarHBondContact O-N 3.49Å |
| 359 | G | 85.8 | Confident | 92.9 | Very high | 75 Ų | 75 | 76.8 Ų | 76.8 | 77% | 0.773 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 5.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | T357 E361 | T357-G359 PolarHBondContact O-N 2.9Å; G359-E361 PolarHBondContact O-N 2.79Å |
| 360 | Q | 90.9 | Very high | 92.9 | Very high | 91 Ų | 91 | 75.8 Ų | 75.8 | 43% | 0.425 | 39% | 0.39 | S | S | . | . | trans | -76.8 | 113.6 | 173.9 | -64.1 | -82.3 | 23 | 0 | 0 | 110.5 | T357 Q358 T362 V363 R364 | T357-Q360 WeakPolarHBondContact O-CB 3.49Å; T357-Q360 WeakPolarHBondContact O-CG 3.47Å; T357-Q360 PolarHBondContact O-N 3.44Å; Q358-Q360 VanDerWaalsContact C-N 3.3Å; Q358-Q360 PolarHBondContact O-N 3.49Å; Q360-T362 VanDerWaalsContact C-N 3.29Å; Q360-T362 PolarHBondContact O-N 2.88Å; Q360-V363 HydrophobicContact CB-CB 4.13Å; Q360-V363 HydrophobicContact CB-CG2 3.65Å; Q360-V363 HydrophobicContact CG-CG2 4.36Å; Q360-V363 PolarHBondContact O-N 2.93Å; Q360-R364 PolarHBondContact O-N 3.46Å; Q360-R364 VanDerWaalsContact O-N 3.1Å | ||
| 361 | E | 92.4 | Very high | 93 | Very high | 95 Ų | 95 | 71.8 Ų | 71.8 | 44% | 0.444 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.9 | -35 | -179.6 | -169.6 | 57.8 | -144.4 | 0 | 0 | 112.1 | G359 V363 R364 Q365 | G359-E361 PolarHBondContact O-N 2.79Å; E361-V363 PolarHBondContact O-N 2.98Å; E361-R364 WeakPolarHBondContact O-CB 3.12Å; E361-R364 PolarHBondContact O-N 3.42Å; E361-R364 IonicContact OE1-CZ 3.19Å; E361-R364 IonicContact OE1-NE 3.17Å; E361-R364 PolarHBondContact OE1-NE 3.27Å; E361-R364 IonicContact OE1-NH2 2.71Å; E361-R364 PolarHBondContact OE1-NH2 3.41Å; E361-R364 IonicContact OE2-CZ 3.07Å; E361-R364 IonicContact OE2-NE 2.97Å; E361-R364 PolarHBondContact OE2-NE 3.28Å; E361-R364 VanDerWaalsContact OE2-NE 3.1Å; E361-R364 IonicContact OE2-NH1 3.82Å; E361-R364 IonicContact OE2-NH2 3.03Å; E361-R364 PolarHBondContact OE2-NH2 2.88Å; E361-Q365 WeakPolarHBondContact O-CB 3.45Å; E361-Q365 PolarHBondContact O-N 3.3Å |
| 362 | T | 91.8 | Very high | 93.2 | Very high | 90 Ų | 90 | 75.4 Ų | 75.4 | 55% | 0.552 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.2 | -44.7 | 177.5 | 51.9 | 0 | 0 | 0 | 0 | 111.9 | Q360 Q365 A366 | Q360-T362 VanDerWaalsContact C-N 3.29Å; Q360-T362 PolarHBondContact O-N 2.88Å; T362-Q365 PolarHBondContact O-N 2.85Å; T362-A366 VanDerWaalsContact O-CB 3.31Å; T362-A366 WeakPolarHBondContact O-CB 3.42Å; T362-A366 PolarHBondContact O-N 2.77Å |
| 363 | V | 92.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.1 | -40.7 | 176.5 | -172.1 | 0 | 0 | 0 | 0 | 110.3 | N306 L309 V312 V355 T357 Q360 E361 Q365 A366 R367 | N306-V363 VanDerWaalsContact OD1-CG2 3.27Å; N306-V363 WeakPolarHBondContact OD1-CG2 3.42Å; L309-V363 HydrophobicContact CB-CG2 4.15Å; V312-V363 HydrophobicContact CG2-CG1 4.46Å; V355-V363 HydrophobicContact CG1-CG1 4.09Å; T357-V363 HydrophobicContact CG2-CB 4.3Å; T357-V363 HydrophobicContact CG2-CG1 4.02Å; Q360-V363 HydrophobicContact CB-CB 4.13Å; Q360-V363 HydrophobicContact CB-CG2 3.65Å; Q360-V363 HydrophobicContact CG-CG2 4.36Å; Q360-V363 PolarHBondContact O-N 2.93Å; E361-V363 PolarHBondContact O-N 2.98Å; V363-Q365 PolarHBondContact O-N 3.39Å; V363-A366 PolarHBondContact O-N 3.24Å; V363-R367 VanDerWaalsContact O-CB 3.31Å; V363-R367 WeakPolarHBondContact O-CB 3.38Å; V363-R367 PolarHBondContact O-N 3.47Å |
| 364 | R | 95.3 | Very high | 93.5 | Very high | 138 Ų | 138 | 75.8 Ų | 75.8 | 52% | 0.521 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 178.3 | -164.2 | 179.5 | 77.3 | 164.7 | 3.2 | 111.8 | T357 Q360 E361 R367 K368 | T357-R364 HydrophobicContact CG2-CB 4.13Å; T357-R364 HydrophobicContact CG2-CG 4.49Å; Q360-R364 PolarHBondContact O-N 3.46Å; Q360-R364 VanDerWaalsContact O-N 3.1Å; E361-R364 WeakPolarHBondContact O-CB 3.12Å; E361-R364 PolarHBondContact O-N 3.42Å; E361-R364 IonicContact OE1-CZ 3.19Å; E361-R364 IonicContact OE1-NE 3.17Å; E361-R364 PolarHBondContact OE1-NE 3.27Å; E361-R364 IonicContact OE1-NH2 2.71Å; E361-R364 PolarHBondContact OE1-NH2 3.41Å; E361-R364 IonicContact OE2-CZ 3.07Å; E361-R364 IonicContact OE2-NE 2.97Å; E361-R364 PolarHBondContact OE2-NE 3.28Å; E361-R364 VanDerWaalsContact OE2-NE 3.1Å; E361-R364 IonicContact OE2-NH1 3.82Å; E361-R364 IonicContact OE2-NH2 3.03Å; E361-R364 PolarHBondContact OE2-NH2 2.88Å; R364-R367 PolarHBondContact O-N 2.93Å; R364-K368 WeakPolarHBondContact O-CB 3.42Å; R364-K368 PolarHBondContact O-N 2.85Å |
| 365 | Q | 95.4 | Very high | 93.7 | Very high | 79 Ų | 79 | 76.1 Ų | 76.1 | 37% | 0.369 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.6 | -47.5 | 177.5 | -176.8 | 59.5 | 25.8 | 0 | 0 | 111.1 | E361 T362 V363 R367 K368 E369 | E361-Q365 WeakPolarHBondContact O-CB 3.45Å; E361-Q365 PolarHBondContact O-N 3.3Å; T362-Q365 PolarHBondContact O-N 2.85Å; V363-Q365 PolarHBondContact O-N 3.39Å; Q365-R367 VanDerWaalsContact C-N 3.29Å; Q365-R367 PolarHBondContact O-N 2.96Å; Q365-K368 WeakPolarHBondContact O-CB 3.36Å; Q365-K368 PolarHBondContact O-N 3.22Å; Q365-K368 VanDerWaalsContact O-N 3.11Å; Q365-E369 WeakPolarHBondContact CG-OE1 3.45Å; Q365-E369 PolarHBondContact NE2-OE1 3.19Å; Q365-E369 WeakPolarHBondContact O-CG 3.39Å; Q365-E369 PolarHBondContact O-N 3.37Å |
| 366 | A | 94.7 | Very high | 94 | Very high | 22 Ų | 22 | 78.6 Ų | 78.6 | 18% | 0.182 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L309 V312 T362 V363 E369 A370 | L309-A366 HydrophobicContact CD1-CB 3.87Å; V312-A366 HydrophobicContact CG1-CB 3.83Å; T362-A366 VanDerWaalsContact O-CB 3.31Å; T362-A366 WeakPolarHBondContact O-CB 3.42Å; T362-A366 PolarHBondContact O-N 2.77Å; V363-A366 PolarHBondContact O-N 3.24Å; A366-E369 PolarHBondContact O-N 2.88Å; A366-A370 VanDerWaalsContact O-CB 3.31Å; A366-A370 WeakPolarHBondContact O-CB 3.28Å; A366-A370 PolarHBondContact O-N 3.19Å |
| 367 | R | 96.1 | Very high | 94.4 | Very high | 77 Ų | 77 | 72.1 Ų | 72.1 | 29% | 0.291 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 174.8 | -163.9 | -175.3 | 80.9 | -178.3 | 9.7 | 111.3 | V312 L352 V363 R364 Q365 E369 A370 V371 | V312-R367 HydrophobicContact CG2-CB 4.46Å; L352-R367 HydrophobicContact CD1-CG 3.83Å; L352-R367 HydrophobicContact CD2-CG 4.37Å; L352-R367 HydrophobicContact CG-CG 3.71Å; L352-R367 WeakPolarHBondContact O-CD 3.33Å; V363-R367 VanDerWaalsContact O-CB 3.31Å; V363-R367 WeakPolarHBondContact O-CB 3.38Å; V363-R367 PolarHBondContact O-N 3.47Å; R364-R367 PolarHBondContact O-N 2.93Å; Q365-R367 VanDerWaalsContact C-N 3.29Å; Q365-R367 PolarHBondContact O-N 2.96Å; R367-E369 PolarHBondContact O-N 3.38Å; R367-A370 PolarHBondContact O-N 3.29Å; R367-V371 WeakPolarHBondContact O-CG2 3.44Å; R367-V371 PolarHBondContact O-N 3.26Å |
| 368 | K | 96.8 | Very high | 94.8 | Very high | 136 Ų | 136 | 71.5 Ų | 71.5 | 59% | 0.591 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.2 | -45.4 | 178.6 | -177.4 | -176.8 | 176.1 | -174.7 | 0 | 111.7 | R364 Q365 V371 Q372 | R364-K368 WeakPolarHBondContact O-CB 3.42Å; R364-K368 PolarHBondContact O-N 2.85Å; Q365-K368 WeakPolarHBondContact O-CB 3.36Å; Q365-K368 PolarHBondContact O-N 3.22Å; Q365-K368 VanDerWaalsContact O-N 3.11Å; K368-V371 PolarHBondContact O-N 2.99Å; K368-Q372 WeakPolarHBondContact O-CB 2.95Å; K368-Q372 PolarHBondContact O-N 3.38Å |
| 369 | E | 96.8 | Very high | 95.4 | Very high | 102 Ų | 102 | 68.3 Ų | 68.3 | 48% | 0.477 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 177.6 | -72.6 | 174.5 | -168.6 | 0 | 0 | 111.7 | Q365 A366 R367 Q372 R373 | Q365-E369 WeakPolarHBondContact CG-OE1 3.45Å; Q365-E369 PolarHBondContact NE2-OE1 3.19Å; Q365-E369 WeakPolarHBondContact O-CG 3.39Å; Q365-E369 PolarHBondContact O-N 3.37Å; A366-E369 PolarHBondContact O-N 2.88Å; R367-E369 PolarHBondContact O-N 3.38Å; E369-Q372 PolarHBondContact O-N 3.18Å; E369-R373 WeakPolarHBondContact O-CB 3.37Å; E369-R373 PolarHBondContact O-N 2.81Å |
| 370 | A | 96.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63 | -44.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V312 M316 L352 A366 R367 Q372 R373 I374 | V312-A370 HydrophobicContact CG1-CB 4.14Å; M316-A370 HydrophobicContact CG-CB 3.8Å; M316-A370 VanDerWaalsContact SD-CA 3.5Å; M316-A370 HydrophobicContact SD-CB 3.37Å; M316-A370 WeakPolarHBondContact SD-CB 3.45Å; L352-A370 HydrophobicContact CD1-CB 4.03Å; L352-A370 HydrophobicContact CD2-CB 3.44Å; L352-A370 VanDerWaalsContact CD2-CB 3.44Å; L352-A370 HydrophobicContact CG-CB 4.39Å; A366-A370 VanDerWaalsContact O-CB 3.31Å; A366-A370 WeakPolarHBondContact O-CB 3.28Å; A366-A370 PolarHBondContact O-N 3.19Å; R367-A370 PolarHBondContact O-N 3.29Å; A370-Q372 PolarHBondContact O-N 3.37Å; A370-R373 PolarHBondContact O-N 3.09Å; A370-I374 WeakPolarHBondContact O-CG1 3.38Å; A370-I374 PolarHBondContact O-N 2.99Å |
| 371 | V | 97.5 | Very high | 96.1 | Very high | 40 Ų | 40 | 65.2 Ų | 65.2 | 24% | 0.242 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.6 | -48.8 | 174 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | L349 L352 R367 K368 R373 I374 Q375 | L349-V371 HydrophobicContact CD2-CB 4.44Å; L349-V371 HydrophobicContact CD2-CG1 4.08Å; L349-V371 HydrophobicContact CD2-CG2 4.36Å; L352-V371 HydrophobicContact CD2-CB 4.31Å; L352-V371 HydrophobicContact CD2-CG2 3.47Å; L352-V371 VanDerWaalsContact CD2-CG2 3.47Å; L352-V371 HydrophobicContact CG-CG2 4.26Å; R367-V371 WeakPolarHBondContact O-CG2 3.44Å; R367-V371 PolarHBondContact O-N 3.26Å; K368-V371 PolarHBondContact O-N 2.99Å; V371-R373 PolarHBondContact O-N 2.96Å; V371-I374 PolarHBondContact O-N 2.9Å; V371-Q375 HydrophobicContact CG1-CG 4.33Å; V371-Q375 WeakPolarHBondContact O-CG 3.26Å; V371-Q375 PolarHBondContact O-N 2.04Å |
| 372 | Q | 97.9 | Very high | 96.2 | Very high | 138 Ų | 138 | 64.9 Ų | 64.9 | 65% | 0.645 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59.7 | -38.8 | -179.4 | -173.3 | 174.5 | 37 | 0 | 0 | 111.7 | K368 E369 A370 A376 | K368-Q372 WeakPolarHBondContact O-CB 2.95Å; K368-Q372 PolarHBondContact O-N 3.38Å; E369-Q372 PolarHBondContact O-N 3.18Å; A370-Q372 PolarHBondContact O-N 3.37Å; Q372-A376 WeakPolarHBondContact O-CB 3.16Å; Q372-A376 PolarHBondContact O-N 3.33Å |
| 373 | R | 97.4 | Very high | 96.4 | Very high | 110 Ų | 110 | 68.8 Ų | 68.8 | 42% | 0.415 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 177 | -167.1 | 174.3 | -173.1 | 104.6 | 0.1 | 112 | V319 E369 A370 V371 Q375 A376 I377 | V319-R373 HydrophobicContact CG1-CG 4.39Å; E369-R373 WeakPolarHBondContact O-CB 3.37Å; E369-R373 PolarHBondContact O-N 2.81Å; A370-R373 PolarHBondContact O-N 3.09Å; V371-R373 PolarHBondContact O-N 2.96Å; R373-Q375 VanDerWaalsContact C-N 3.34Å; R373-Q375 PolarHBondContact O-N 3.16Å; R373-A376 PolarHBondContact O-N 3.14Å; R373-I377 HydrophobicContact CG-CD1 4.12Å; R373-I377 WeakPolarHBondContact O-CD1 3.28Å; R373-I377 VanDerWaalsContact O-CG1 3.29Å; R373-I377 WeakPolarHBondContact O-CG1 3.19Å; R373-I377 PolarHBondContact O-N 3.11Å; R373-I377 VanDerWaalsContact O-N 3.07Å |
| 374 | I | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62 | -43.8 | 178.1 | -63.2 | 162.1 | 0 | 0 | 0 | 110.9 | V315 V319 L345 E348 L349 L352 A370 V371 A376 I377 L378 | V315-I374 HydrophobicContact CG1-CD1 4.42Å; V319-I374 HydrophobicContact CB-CG1 4.32Å; V319-I374 HydrophobicContact CG1-CG1 3.8Å; V319-I374 HydrophobicContact CG2-CD1 3.75Å; V319-I374 HydrophobicContact CG2-CG1 3.46Å; V319-I374 VanDerWaalsContact CG2-CG1 3.46Å; L345-I374 HydrophobicContact CB-CG2 4.2Å; L345-I374 HydrophobicContact CD2-CG2 4.13Å; E348-I374 HydrophobicContact CB-CD1 4.23Å; L349-I374 HydrophobicContact CD1-CG2 3.99Å; L349-I374 HydrophobicContact CD2-CB 3.86Å; L349-I374 HydrophobicContact CD2-CD1 3.81Å; L349-I374 HydrophobicContact CD2-CG1 4.46Å; L349-I374 HydrophobicContact CD2-CG2 3.85Å; L349-I374 HydrophobicContact CG-CB 4.2Å; L349-I374 HydrophobicContact CG-CD1 4.14Å; L349-I374 HydrophobicContact CG-CG2 3.62Å; L352-I374 HydrophobicContact CD2-CD1 4.06Å; A370-I374 WeakPolarHBondContact O-CG1 3.38Å; A370-I374 PolarHBondContact O-N 2.99Å; V371-I374 PolarHBondContact O-N 2.9Å; I374-A376 VanDerWaalsContact C-N 3.34Å; I374-A376 PolarHBondContact O-N 3.38Å; I374-I377 PolarHBondContact O-N 3.03Å; I374-I377 VanDerWaalsContact O-N 3.12Å; I374-L378 HydrophobicContact CG2-CD1 4.22Å; I374-L378 PolarHBondContact O-N 3.47Å |
| 375 | Q | 97.9 | Very high | 96.2 | Very high | 82 Ų | 82 | 65.6 Ų | 65.6 | 38% | 0.383 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 176.5 | -68 | -62.7 | -33.1 | 0 | 0 | 111.9 | L349 V371 R373 I377 L378 D379 | L349-Q375 VanDerWaalsContact CD1-NE2 3.26Å; V371-Q375 HydrophobicContact CG1-CG 4.33Å; V371-Q375 WeakPolarHBondContact O-CG 3.26Å; V371-Q375 PolarHBondContact O-N 2.04Å; R373-Q375 VanDerWaalsContact C-N 3.34Å; R373-Q375 PolarHBondContact O-N 3.16Å; Q375-I377 VanDerWaalsContact C-N 3.25Å; Q375-I377 PolarHBondContact O-N 3.01Å; Q375-L378 PolarHBondContact O-N 3.16Å; Q375-D379 PolarHBondContact O-N 3.29Å |
| 376 | A | 98 | Very high | 95.4 | Very high | 55 Ų | 55 | 70.2 Ų | 70.2 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.9 | -33.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | Q372 R373 I374 R380 | Q372-A376 WeakPolarHBondContact O-CB 3.16Å; Q372-A376 PolarHBondContact O-N 3.33Å; R373-A376 PolarHBondContact O-N 3.14Å; I374-A376 VanDerWaalsContact C-N 3.34Å; I374-A376 PolarHBondContact O-N 3.38Å; A376-R380 WeakPolarHBondContact O-CB 3.46Å; A376-R380 PolarHBondContact O-N 3.13Å; A376-R380 VanDerWaalsContact O-N 3.14Å |
| 377 | I | 97.4 | Very high | 95.5 | Very high | 8 Ų | 8 | 72.7 Ų | 72.7 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -73.6 | -41.6 | 176.6 | -64 | 160.3 | 0 | 0 | 0 | 110.8 | V319 Q323 V326 L345 R373 I374 Q375 R380 L381 | V319-I377 HydrophobicContact CG1-CD1 3.4Å; Q323-I377 HydrophobicContact CB-CD1 3.77Å; Q323-I377 HydrophobicContact CB-CG1 4.19Å; Q323-I377 HydrophobicContact CG-CD1 4.15Å; Q323-I377 HydrophobicContact CG-CG1 4.1Å; V326-I377 HydrophobicContact CB-CG2 4.07Å; V326-I377 HydrophobicContact CG1-CG2 4.16Å; V326-I377 HydrophobicContact CG2-CG2 3.78Å; L345-I377 HydrophobicContact CD1-CG2 3.82Å; L345-I377 HydrophobicContact CD2-CB 4.2Å; L345-I377 HydrophobicContact CD2-CG2 3.75Å; L345-I377 HydrophobicContact CG-CG2 4.46Å; R373-I377 HydrophobicContact CG-CD1 4.12Å; R373-I377 WeakPolarHBondContact O-CD1 3.28Å; R373-I377 VanDerWaalsContact O-CG1 3.29Å; R373-I377 WeakPolarHBondContact O-CG1 3.19Å; R373-I377 PolarHBondContact O-N 3.11Å; R373-I377 VanDerWaalsContact O-N 3.07Å; I374-I377 PolarHBondContact O-N 3.03Å; I374-I377 VanDerWaalsContact O-N 3.12Å; Q375-I377 VanDerWaalsContact C-N 3.25Å; Q375-I377 PolarHBondContact O-N 3.01Å; I377-R380 PolarHBondContact O-N 3.16Å; I377-L381 PolarHBondContact O-N 2.83Å |
| 378 | L | 96.9 | Very high | 95.4 | Very high | 20 Ų | 20 | 72.4 Ų | 72.4 | 11% | 0.105 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58 | -49.9 | 173.1 | -78.5 | 167.4 | 0 | 0 | 0 | 111.1 | E342 L345 T346 L349 I374 Q375 R380 L381 E382 | E342-L378 HydrophobicContact CG-CD2 4.24Å; L345-L378 HydrophobicContact CB-CD2 3.71Å; L345-L378 HydrophobicContact CB-CG 3.98Å; L345-L378 HydrophobicContact CD1-CD2 3.72Å; L345-L378 HydrophobicContact CD1-CG 4.04Å; L345-L378 HydrophobicContact CG-CD2 4.36Å; T346-L378 HydrophobicContact CG2-CD1 4.5Å; L349-L378 HydrophobicContact CD1-CD1 4.01Å; I374-L378 HydrophobicContact CG2-CD1 4.22Å; I374-L378 PolarHBondContact O-N 3.47Å; Q375-L378 PolarHBondContact O-N 3.16Å; L378-R380 PolarHBondContact O-N 3.16Å; L378-L381 WeakPolarHBondContact O-CB 3.49Å; L378-L381 PolarHBondContact O-N 3.35Å; L378-L381 VanDerWaalsContact O-N 3.09Å; L378-E382 WeakPolarHBondContact O-CG 3.43Å; L378-E382 PolarHBondContact O-N 3.22Å |
| 379 | D | 97.2 | Very high | 95.3 | Very high | 77 Ų | 77 | 68.9 Ų | 68.9 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.2 | -37.2 | 176.5 | -73.9 | -13.1 | 0 | 0 | 0 | 112.2 | Q375 K383 | Q375-D379 PolarHBondContact O-N 3.29Å; D379-K383 WeakPolarHBondContact O-CD 3.1Å; D379-K383 VanDerWaalsContact O-CG 3.25Å; D379-K383 WeakPolarHBondContact O-CG 3.25Å; D379-K383 PolarHBondContact O-N 3.36Å; D379-K383 VanDerWaalsContact O-N 3.11Å |
| 380 | R | 96.3 | Very high | 95.3 | Very high | 99 Ų | 99 | 66.9 Ų | 66.9 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70.9 | -42.7 | 177.4 | -176 | 174.6 | 176.9 | -164.3 | -10.8 | 111.5 | V326 D327 A376 I377 L378 E382 K383 K384 | V326-R380 HydrophobicContact CG1-CG 4.48Å; D327-R380 IonicContact OD1-CZ 3.12Å; D327-R380 IonicContact OD1-NE 2.84Å; D327-R380 IonicContact OD1-NH1 3.1Å; D327-R380 PolarHBondContact OD1-NH1 3.22Å; D327-R380 IonicContact OD1-NH2 3.97Å; D327-R380 PolarHBondContact OD1-NH2 3.43Å; D327-R380 VanDerWaalsContact OD1-NH2 3.12Å; D327-R380 IonicContact OD2-CZ 3.12Å; D327-R380 IonicContact OD2-NH1 2.6Å; D327-R380 PolarHBondContact OD2-NH1 3.33Å; D327-R380 IonicContact OD2-NH2 2.82Å; D327-R380 PolarHBondContact OD2-NH2 3.43Å; D327-R380 VanDerWaalsContact OD2-NH2 3.12Å; A376-R380 WeakPolarHBondContact O-CB 3.46Å; A376-R380 PolarHBondContact O-N 3.13Å; A376-R380 VanDerWaalsContact O-N 3.14Å; I377-R380 PolarHBondContact O-N 3.16Å; L378-R380 PolarHBondContact O-N 3.16Å; R380-E382 VanDerWaalsContact C-N 3.28Å; R380-E382 PolarHBondContact O-N 3.09Å; R380-K383 PolarHBondContact O-N 3.16Å; R380-K384 HydrophobicContact CG-CD 4.27Å; R380-K384 HydrophobicContact CG-CG 4.38Å; R380-K384 WeakPolarHBondContact O-CB 3.35Å; R380-K384 WeakPolarHBondContact O-CG 3.37Å; R380-K384 PolarHBondContact O-N 3.41Å |
| 381 | L | 96.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 175.1 | 178 | 60.1 | 0 | 0 | 0 | 110.5 | V326 F329 Y338 L341 E342 L345 I377 L378 K383 K384 A385 | V326-L381 HydrophobicContact CG1-CB 3.81Å; V326-L381 HydrophobicContact CG1-CD1 4.27Å; V326-L381 HydrophobicContact CG2-CB 4.21Å; V326-L381 HydrophobicContact CG2-CD1 4.21Å; V326-L381 HydrophobicContact CG2-CD2 4.39Å; V326-L381 HydrophobicContact CG2-CG 4.49Å; F329-L381 HydrophobicContact CB-CD1 4.45Å; F329-L381 HydrophobicContact CD1-CD1 3.58Å; F329-L381 HydrophobicContact CE1-CD1 3.93Å; F329-L381 HydrophobicContact CG-CD1 3.92Å; Y338-L381 HydrophobicContact CD2-CD1 3.86Å; Y338-L381 HydrophobicContact CD2-CD2 4.22Å; Y338-L381 HydrophobicContact CD2-CG 3.76Å; Y338-L381 HydrophobicContact CE2-CD1 4.24Å; Y338-L381 HydrophobicContact CE2-CD2 4.15Å; Y338-L381 HydrophobicContact CE2-CG 3.65Å; L341-L381 HydrophobicContact CB-CD1 4.42Å; L341-L381 HydrophobicContact CB-CD2 3.68Å; L341-L381 HydrophobicContact CD1-CD1 4.01Å; E342-L381 HydrophobicContact CB-CD2 4.29Å; L345-L381 HydrophobicContact CD1-CD2 4.18Å; I377-L381 PolarHBondContact O-N 2.83Å; L378-L381 WeakPolarHBondContact O-CB 3.49Å; L378-L381 PolarHBondContact O-N 3.35Å; L378-L381 VanDerWaalsContact O-N 3.09Å; L381-K383 PolarHBondContact O-N 3.26Å; L381-K384 PolarHBondContact O-N 3.22Å; L381-A385 WeakPolarHBondContact O-CB 3.41Å; L381-A385 PolarHBondContact O-N 3.1Å |
| 382 | E | 94.4 | Very high | 95 | Very high | 88 Ų | 88 | 73.2 Ų | 73.2 | 41% | 0.411 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 175.2 | -71.3 | -160 | 137.3 | 0 | 0 | 113.1 | K333 Y338 L378 R380 K384 A385 | K333-E382 IonicContact NZ-OE1 3.8Å; K333-E382 PolarHBondContact NZ-OE1 3.31Å; Y338-E382 WeakPolarHBondContact OH-CG 3.34Å; L378-E382 WeakPolarHBondContact O-CG 3.43Å; L378-E382 PolarHBondContact O-N 3.22Å; R380-E382 VanDerWaalsContact C-N 3.28Å; R380-E382 PolarHBondContact O-N 3.09Å; E382-K384 VanDerWaalsContact C-N 3.32Å; E382-K384 PolarHBondContact O-N 3.15Å; E382-A385 PolarHBondContact O-N 2.86Å |
| 383 | K | 94.6 | Very high | 94.8 | Very high | 172 Ų | 172 | 68.6 Ų | 68.6 | 75% | 0.748 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -69.3 | -29.3 | 179.3 | -73.4 | 166.2 | -174.6 | 162.8 | 0 | 113.2 | D379 R380 L381 | D379-K383 WeakPolarHBondContact O-CD 3.1Å; D379-K383 VanDerWaalsContact O-CG 3.25Å; D379-K383 WeakPolarHBondContact O-CG 3.25Å; D379-K383 PolarHBondContact O-N 3.36Å; D379-K383 VanDerWaalsContact O-N 3.11Å; R380-K383 PolarHBondContact O-N 3.16Å; L381-K383 PolarHBondContact O-N 3.26Å |
| 384 | K | 93.4 | Very high | 94.6 | Very high | 61 Ų | 61 | 65.4 Ų | 65.4 | 27% | 0.265 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -80.9 | -24.7 | 178.5 | -74.9 | -170 | 73.1 | -164.7 | 0 | 112.7 | V326 D327 F329 R380 L381 E382 F386 | V326-K384 WeakPolarHBondContact O-CD 3.23Å; V326-K384 PolarHBondContact O-NZ 3.37Å; D327-K384 PolarHBondContact O-NZ 3.48Å; F329-K384 HydrophobicContact CD1-CB 4.49Å; F329-K384 WeakPolarHBondContact O-CE 3.41Å; F329-K384 PolarHBondContact O-NZ 3.26Å; R380-K384 HydrophobicContact CG-CD 4.27Å; R380-K384 HydrophobicContact CG-CG 4.38Å; R380-K384 WeakPolarHBondContact O-CB 3.35Å; R380-K384 WeakPolarHBondContact O-CG 3.37Å; R380-K384 PolarHBondContact O-N 3.41Å; L381-K384 PolarHBondContact O-N 3.22Å; E382-K384 VanDerWaalsContact C-N 3.32Å; E382-K384 PolarHBondContact O-N 3.15Å; K384-F386 PolarHBondContact O-N 3.03Å |
| 385 | A | 91.2 | Very high | 94.4 | Very high | 11 Ų | 11 | 70.8 Ų | 70.8 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | trans | -79.5 | 115.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | F329 G331 K333 Y338 L381 E382 | F329-A385 HydrophobicContact CE1-CB 4.03Å; G331-A385 VanDerWaalsContact O-CA 3.28Å; G331-A385 WeakPolarHBondContact O-CA 3.33Å; K333-A385 HydrophobicContact CB-CB 4.45Å; K333-A385 HydrophobicContact CD-CB 4.5Å; K333-A385 HydrophobicContact CG-CB 3.46Å; K333-A385 VanDerWaalsContact CG-CB 3.46Å; Y338-A385 HydrophobicContact CD2-CB 3.59Å; Y338-A385 HydrophobicContact CE2-CB 3.7Å; L381-A385 WeakPolarHBondContact O-CB 3.41Å; L381-A385 PolarHBondContact O-N 3.1Å; E382-A385 PolarHBondContact O-N 2.86Å | ||
| 386 | F | 78.9 | Confident | 94.1 | Very high | 176 Ų | 176 | 69.8 Ų | 69.8 | 77% | 0.772 | 33% | 0.334 | S | S | * | . | trans | -90.1 | 0 | -175.1 | 51 | -93.8 | 0 | 0 | 0 | 114.2 | V330 G331 R332 K384 | V330-F386 HydrophobicContact CG1-CE1 4.1Å; G331-F386 VanDerWaalsContact C-CE1 3.46Å; G331-F386 WeakPolarHBondContact O-CD1 3.45Å; G331-F386 WeakPolarHBondContact O-CE1 3.49Å; G331-F386 PolarHBondContact O-N 3.3Å; R332-F386 HydrophobicContact CG-CD2 3.49Å; R332-F386 VanDerWaalsContact CG-CD2 3.49Å; R332-F386 HydrophobicContact CG-CE2 3.25Å; R332-F386 HydrophobicContact CG-CG 4.38Å; R332-F386 HydrophobicContact CG-CZ 3.98Å; R332-F386 WeakPolarHBondContact CG-O 3.33Å; K384-F386 PolarHBondContact O-N 3.03Å |
Retrieved 386 of 386 residues in 431.9 ms
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