| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 31.1 | Very low | 27.8 | Very low | 240 Ų | 240 | 164.4 Ų | 164.4 | 100% | 1.182 | 79% | 0.791 | S | S | * | * | 0 | 90.2 | 0 | -90.5 | -174.2 | -178.3 | 0 | 0 | 109 | |||||
| 2 | F | 26.6 | Very low | 28.2 | Very low | 212 Ų | 212 | 160 Ų | 160 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | trans | -80.9 | 114.6 | 175.7 | -73.2 | -98 | 0 | 0 | 0 | 108.5 | ||||
| 3 | R | 24.9 | Very low | 28.6 | Very low | 237 Ų | 237 | 161.1 Ų | 161.1 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | trans | -139.5 | 104.6 | 166.2 | -78.8 | -168.4 | 174.6 | 169.7 | -1.8 | 110 | ||||
| 4 | L | 26.3 | Very low | 28.9 | Very low | 157 Ų | 157 | 157.7 Ų | 157.7 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | 28.8 | 93.8 | 157.8 | -81.1 | 86.7 | 0 | 0 | 0 | 116.9 | ||||
| 5 | L | 27.4 | Very low | 29.5 | Very low | 132 Ų | 132 | 152.6 Ų | 152.6 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | trans | -97.1 | 96.2 | 149 | -79.9 | 166.5 | 0 | 0 | 0 | 107.5 | P7 F115 | L5-P7 WeakPolarHBondContact O-CD 3.3Å; L5-F115 HydrophobicContact CB-CE2 4.45Å; L5-F115 HydrophobicContact CB-CZ 4.46Å; L5-F115 HydrophobicContact CD1-CZ 4.36Å | ||
| 6 | V | 27.8 | Very low | 29.8 | Very low | 108 Ų | 108 | 147.1 Ų | 147.1 | 66% | 0.655 | 74% | 0.739 | S | S | * | * | trans | -57.4 | 120.9 | 167.2 | 176.2 | 0 | 0 | 0 | 0 | 107.5 | L8 | V6-L8 PolarHBondContact O-N 2.73Š| ||
| 7 | P | 29.8 | Very low | 30.2 | Very low | 95 Ų | 95 | 151.1 Ų | 151.1 | 62% | 0.617 | 74% | 0.743 | S | S | * | * | trans | -78 | 96.6 | 177.7 | 30.8 | -29.2 | 0 | 0 | 0 | 107.9 | L5 R9 | L5-P7 WeakPolarHBondContact O-CD 3.3Å; P7-R9 VanDerWaalsContact C-N 3.31Å; P7-R9 PolarHBondContact O-N 2.65Å | ||
| 8 | L | 28.9 | Very low | 30.6 | Very low | 140 Ų | 140 | 147.2 Ų | 147.2 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | trans | -64.3 | 96.4 | 164.1 | -82.9 | 158.5 | 0 | 0 | 0 | 108 | V6 | V6-L8 PolarHBondContact O-N 2.73Š| ||
| 9 | R | 28.2 | Very low | 30.9 | Very low | 219 Ų | 219 | 144.6 Ų | 144.6 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | trans | -66.5 | 126.3 | 167.5 | -75.7 | 177.6 | 172.2 | 171.1 | -1.7 | 108.1 | P7 | P7-R9 VanDerWaalsContact C-N 3.31Å; P7-R9 PolarHBondContact O-N 2.65Å | ||
| 10 | C | 26.6 | Very low | 31.1 | Very low | 79 Ų | 79 | 142.4 Ų | 142.4 | 53% | 0.534 | 70% | 0.703 | S | S | . | * | trans | -136.2 | 104.7 | 156.9 | -110 | 0 | 0 | 0 | 0 | 109 | E18 | C10-E18 PolarHBondContact SG-OE2 3.1Š| ||
| 11 | K | 28.6 | Very low | 31.5 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | trans | -66.7 | 141.7 | 163.8 | -71.4 | -179.2 | 173.8 | -176.6 | 0 | 107.9 | Q13 | K11-Q13 PolarHBondContact O-N 2.86Š| ||
| 12 | S | 31.8 | Very low | 31.7 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 78% | 0.783 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | 26.4 | -170.4 | 59.3 | 0 | 0 | 0 | 0 | 116.8 | ||
| 13 | Q | 33.9 | Very low | 32.2 | Very low | 174 Ų | 174 | 129.6 Ų | 129.6 | 81% | 0.813 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | -3.4 | -176.8 | -75.4 | 178.7 | -14.1 | 0 | 0 | 115.2 | K11 | K11-Q13 PolarHBondContact O-N 2.86Š|
| 14 | N | 33.3 | Very low | 32.7 | Very low | 114 Ų | 114 | 126 Ų | 126 | 61% | 0.61 | 64% | 0.638 | S | S | * | * | trans | -132.2 | 21.7 | -175.8 | -81.9 | -31.9 | 0 | 0 | 0 | 116 | P16 R17 | N14-P16 VanDerWaalsContact C-N 3.31Å; N14-P16 WeakPolarHBondContact O-CD 3.42Å; N14-P16 VanDerWaalsContact O-N 3.1Å; N14-R17 PolarHBondContact O-N 3.47Å | ||
| 15 | V | 37.8 | Very low | 33.5 | Very low | 81 Ų | 81 | 124.8 Ų | 124.8 | 49% | 0.491 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -48 | -35.8 | -178.7 | -178 | 0 | 0 | 0 | 0 | 115.1 | R17 L19 | V15-R17 PolarHBondContact O-N 3.06Å; V15-L19 HydrophobicContact CG1-CD1 3.6Å; V15-L19 WeakPolarHBondContact O-CD1 3.36Å |
| 16 | P | 34.1 | Very low | 33.7 | Very low | 65 Ų | 65 | 128.5 Ų | 128.5 | 42% | 0.422 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -68 | -28 | -177 | -23.3 | 35 | 0 | 0 | 0 | 116.3 | N14 C50 | N14-P16 VanDerWaalsContact C-N 3.31Å; N14-P16 WeakPolarHBondContact O-CD 3.42Å; N14-P16 VanDerWaalsContact O-N 3.1Å; P16-C50 HydrophobicContact CB-CB 3.58Å; P16-C50 WeakPolarHBondContact CB-SG 3.4Å; P16-C50 HydrophobicContact CG-CB 3.43Å; P16-C50 VanDerWaalsContact CG-CB 3.43Å; P16-C50 VanDerWaalsContact CG-SG 3.56Å |
| 17 | R | 36.6 | Very low | 33.8 | Very low | 215 Ų | 215 | 133 Ų | 133 | 81% | 0.811 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -92.8 | -24.8 | -172.9 | -96.7 | -179.4 | 177.8 | 174.5 | -0.3 | 113.7 | N14 V15 | N14-R17 PolarHBondContact O-N 3.47Å; V15-R17 PolarHBondContact O-N 3.06Å |
| 18 | E | 38.2 | Very low | 33.7 | Very low | 81 Ų | 81 | 133.1 Ų | 133.1 | 38% | 0.379 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -92.7 | -16.9 | -179.4 | -63.7 | -142.5 | 168.8 | 0 | 0 | 114 | C10 N20 L21 L22 | C10-E18 PolarHBondContact SG-OE2 3.1Å; E18-N20 PolarHBondContact O-N 2.86Å; E18-L21 PolarHBondContact O-N 3.12Å; E18-L22 PolarHBondContact O-N 3.05Å |
| 19 | L | 36.1 | Very low | 33.8 | Very low | 98 Ų | 98 | 134 Ų | 134 | 51% | 0.513 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -62.4 | -26.8 | 167.2 | -100.3 | 141.1 | 0 | 0 | 0 | 112.7 | V15 Q23 | V15-L19 HydrophobicContact CG1-CD1 3.6Å; V15-L19 WeakPolarHBondContact O-CD1 3.36Å; L19-Q23 PolarHBondContact O-N 3.16Å |
| 20 | N | 33.8 | Very low | 33.7 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 53% | 0.529 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -74.9 | -22.2 | 171.9 | -98.5 | -36.1 | 0 | 0 | 0 | 113.7 | E18 K24 | E18-N20 PolarHBondContact O-N 2.86Å; N20-K24 WeakPolarHBondContact O-CG 3.42Å; N20-K24 PolarHBondContact O-N 2.74Å |
| 21 | L | 39.1 | Very low | 33.8 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 51% | 0.513 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -84 | -37 | 176.4 | -93.8 | 157.9 | 0 | 0 | 0 | 111.5 | E18 K24 L25 | E18-L21 PolarHBondContact O-N 3.12Å; L21-K24 PolarHBondContact O-N 3.23Å; L21-L25 PolarHBondContact O-N 3.01Å |
| 22 | L | 35.5 | Very low | 33.6 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 59% | 0.592 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73.2 | -25.7 | 173.8 | -74.7 | 167 | 0 | 0 | 0 | 113.3 | E18 | E18-L22 PolarHBondContact O-N 3.05Å |
| 23 | Q | 36.9 | Very low | 33.5 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 54% | 0.537 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -71.2 | -29.6 | 166.7 | -87.2 | 179.5 | -26.3 | 0 | 0 | 113 | L19 | L19-Q23 PolarHBondContact O-N 3.16Å |
| 24 | K | 36.8 | Very low | 33 | Very low | 161 Ų | 161 | 136.5 Ų | 136.5 | 70% | 0.7 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -83.9 | -24.6 | 178.1 | -78.3 | -179.9 | 177.3 | -176.9 | 0 | 114.4 | N20 L21 R26 | N20-K24 WeakPolarHBondContact O-CG 3.42Å; N20-K24 PolarHBondContact O-N 2.74Å; L21-K24 PolarHBondContact O-N 3.23Å; K24-R26 VanDerWaalsContact C-N 3.27Å; K24-R26 PolarHBondContact O-N 3.12Å |
| 25 | L | 42.1 | Very low | 32.8 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 69% | 0.691 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -85.2 | 4 | 175.2 | -80.8 | 158.9 | 0 | 0 | 0 | 113.8 | L21 Y27 | L21-L25 PolarHBondContact O-N 3.01Å; L25-Y27 PolarHBondContact O-N 3.1Å |
| 26 | R | 32.4 | Very low | 32.2 | Very low | 211 Ų | 211 | 136.1 Ų | 136.1 | 80% | 0.796 | 69% | 0.686 | S | S | * | * | trans | -79.8 | 39.3 | 178.8 | -137.1 | 178.3 | -167.8 | 175.3 | 3.6 | 112.7 | K24 | K24-R26 VanDerWaalsContact C-N 3.27Å; K24-R26 PolarHBondContact O-N 3.12Å | ||
| 27 | Y | 28.9 | Very low | 32 | Very low | 202 Ų | 202 | 140.9 Ų | 140.9 | 79% | 0.792 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -90.4 | 137 | 165.1 | -86.3 | -85.9 | 0 | 0 | 0 | 109.2 | L25 L29 | L25-Y27 PolarHBondContact O-N 3.1Å; Y27-L29 PolarHBondContact O-N 3.2Å; Y27-L29 VanDerWaalsContact O-N 3.08Å |
| 28 | P | 29.1 | Very low | 31.4 | Very low | 98 Ų | 98 | 138.2 Ų | 138.2 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | trans | -76 | 105.6 | -167.7 | 30.9 | -31.2 | 0 | 0 | 0 | 109.6 | Y30 | P28-Y30 VanDerWaalsContact C-N 3.29Å; P28-Y30 HydrophobicContact CG-CE2 4.39Å; P28-Y30 WeakPolarHBondContact O-CD2 3.14Å; P28-Y30 PolarHBondContact O-N 2.89Å | ||
| 29 | L | 30.3 | Very low | 30.7 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | trans | -71.7 | 95.9 | 159.5 | -85 | 163.4 | 0 | 0 | 0 | 107.7 | Y27 F31 | Y27-L29 PolarHBondContact O-N 3.2Å; Y27-L29 VanDerWaalsContact O-N 3.08Å; L29-F31 PolarHBondContact O-N 3.07Å | ||
| 30 | Y | 26.3 | Very low | 30.4 | Very low | 207 Ų | 207 | 148.8 Ų | 148.8 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | trans | -43.5 | 105.2 | 165.9 | -82.7 | -101.9 | 0 | 0 | 0 | 110.7 | P28 | P28-Y30 VanDerWaalsContact C-N 3.29Å; P28-Y30 HydrophobicContact CG-CE2 4.39Å; P28-Y30 WeakPolarHBondContact O-CD2 3.14Å; P28-Y30 PolarHBondContact O-N 2.89Å | ||
| 31 | F | 28.7 | Very low | 29.9 | Very low | 183 Ų | 183 | 148.5 Ų | 148.5 | 80% | 0.803 | 75% | 0.751 | S | S | * | * | trans | -124.3 | 107.9 | 156.1 | -86.1 | -78.3 | 0 | 0 | 0 | 108.4 | L29 F33 | L29-F31 PolarHBondContact O-N 3.07Å; F31-F33 PolarHBondContact O-N 2.93Å | ||
| 32 | S | 24.2 | Very low | 29.3 | Very low | 113 Ų | 113 | 153.5 Ų | 153.5 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -61.8 | 103.8 | -178.5 | 6.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 33 | F | 29.4 | Very low | 28.8 | Very low | 206 Ų | 206 | 157.1 Ų | 157.1 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | trans | -135.3 | 113.8 | 150 | -81.4 | -76.6 | 0 | 0 | 0 | 109 | F31 S35 | F31-F33 PolarHBondContact O-N 2.93Å; F33-S35 PolarHBondContact O-N 3.34Å | ||
| 34 | S | 23.5 | Very low | 28.2 | Very low | 117 Ų | 117 | 156 Ų | 156 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -62.4 | 119.6 | -179 | 132.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 35 | S | 29.4 | Very low | 27.9 | Very low | 116 Ų | 116 | 154 Ų | 154 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | -176.6 | 121.5 | 126.5 | 20.3 | 0 | 0 | 0 | 0 | 108 | F33 | F33-S35 PolarHBondContact O-N 3.34Š| |||
| 36 | G | 24.4 | Very low | 27.1 | Very low | 71 Ų | 71 | 154.2 Ų | 154.2 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | trans | -62.8 | 149.3 | -165.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 37 | I | 29.6 | Very low | 26.8 | Very low | 164 Ų | 164 | 152.2 Ų | 152.2 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | -165.1 | 119.1 | 122.6 | -86.6 | 143.4 | 0 | 0 | 0 | 106.9 | |||||
| 38 | L | 24.9 | Very low | 26.8 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -15.6 | 115.5 | 171.3 | -70.9 | 143.3 | 0 | 0 | 0 | 117.6 | ||||
| 39 | Y | 24.3 | Very low | 26.6 | Very low | 235 Ų | 235 | 151.5 Ų | 151.5 | 92% | 0.922 | 79% | 0.791 | S | S | * | * | trans | -85.6 | 114.6 | 156.6 | -100.8 | -99 | 0 | 0 | 0 | 109.3 | ||||
| 40 | H | 28.9 | Very low | 26.2 | Very low | 167 Ų | 167 | 147.8 Ų | 147.8 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -93 | 115 | 158.7 | -111.1 | -64.3 | 0 | 0 | 0 | 109.3 | ||||
| 41 | S | 23 | Very low | 26.3 | Very low | 93 Ų | 93 | 143.6 Ų | 143.6 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | trans | -52 | 138.5 | 168.8 | 50.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 42 | F | 26.9 | Very low | 26.1 | Very low | 203 Ų | 203 | 139.9 Ų | 139.9 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | trans | -144.9 | 142.5 | 146 | -99.2 | -76.5 | 0 | 0 | 0 | 113.4 | ||||
| 43 | K | 26.1 | Very low | 26.2 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 143.3 | -167.2 | -71.9 | 164.7 | 165.8 | 174.9 | 0 | 114.3 | ||
| 44 | S | 22.8 | Very low | 26 | Very low | 91 Ų | 91 | 140.5 Ų | 140.5 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 135.1 | 159.1 | 169.6 | 0 | 0 | 0 | 0 | 110.2 | ||
| 45 | P | 30 | Very low | 26 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 142.6 | 146.3 | 24.7 | -9.5 | 0 | 0 | 0 | 110.8 | ||
| 46 | D | 26.9 | Very low | 25.9 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 162.7 | -170.7 | -70.7 | -61.4 | 0 | 0 | 0 | 116.8 | ||
| 47 | K | 26.3 | Very low | 25.9 | Very low | 168 Ų | 168 | 149.5 Ų | 149.5 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | trans | 82.8 | 112.3 | 134.3 | -94.3 | 171.4 | -175.8 | -179.4 | 0 | 119.5 | ||||
| 48 | H | 27.2 | Very low | 25.8 | Very low | 158 Ų | 158 | 150 Ų | 150 | 73% | 0.731 | 76% | 0.762 | S | S | * | * | trans | 116.9 | 132.4 | 132.8 | -66.7 | -59.4 | 0 | 0 | 0 | 118.8 | ||||
| 49 | T | 26.6 | Very low | 25.9 | Very low | 127 Ų | 127 | 151 Ų | 151 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | 75.6 | 88.9 | 151.1 | 33.8 | 0 | 0 | 0 | 0 | 119 | P51 | T49-P51 WeakPolarHBondContact O-CD 3.46Š| ||
| 50 | C | 21.5 | Very low | 26 | Very low | 81 Ų | 81 | 149.5 Ų | 149.5 | 55% | 0.547 | 76% | 0.764 | S | S | . | * | P | Polyproline II helix | trans | -73.9 | 123.7 | 143.8 | -75.2 | 0 | 0 | 0 | 0 | 109 | P16 | P16-C50 HydrophobicContact CB-CB 3.58Å; P16-C50 WeakPolarHBondContact CB-SG 3.4Å; P16-C50 HydrophobicContact CG-CB 3.43Å; P16-C50 VanDerWaalsContact CG-CB 3.43Å; P16-C50 VanDerWaalsContact CG-SG 3.56Å |
| 51 | P | 26.9 | Very low | 25.9 | Very low | 118 Ų | 118 | 151.3 Ų | 151.3 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 125.4 | 163 | 14.6 | 2.8 | 0 | 0 | 0 | 109.5 | T49 | T49-P51 WeakPolarHBondContact O-CD 3.46Š|
| 52 | T | 25.6 | Very low | 26 | Very low | 106 Ų | 106 | 156.1 Ų | 156.1 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 132.4 | 152.5 | 39.4 | 0 | 0 | 0 | 0 | 110.6 | F54 | T52-F54 PolarHBondContact O-N 3.45Š|
| 53 | L | 25.5 | Very low | 26 | Very low | 163 Ų | 163 | 153.5 Ų | 153.5 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -59.6 | 97.7 | 171.7 | -87.1 | 151.3 | 0 | 0 | 0 | 109.6 | ||||
| 54 | F | 25.9 | Very low | 26.1 | Very low | 169 Ų | 169 | 150.7 Ų | 150.7 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | -95.8 | 139.5 | 166.2 | -95.9 | -83.6 | 0 | 0 | 0 | 110.2 | T52 | T52-F54 PolarHBondContact O-N 3.45Š| ||
| 55 | E | 24.1 | Very low | 26.1 | Very low | 158 Ų | 158 | 155 Ų | 155 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | -37.6 | 133.7 | 166 | -63.6 | 165.6 | 121.6 | 0 | 0 | 112.7 | ||||
| 56 | N | 26.9 | Very low | 26.2 | Very low | 167 Ų | 167 | 154.1 Ų | 154.1 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -143.3 | 109 | 142 | -121.6 | -17 | 0 | 0 | 0 | 110.6 | ||||
| 57 | K | 24.5 | Very low | 26.2 | Very low | 167 Ų | 167 | 153.4 Ų | 153.4 | 73% | 0.726 | 78% | 0.776 | S | S | * | * | trans | -68 | 152.8 | 164.1 | -75.2 | 169.8 | 173.7 | 167.8 | 0 | 108.8 | ||||
| 58 | H | 26.3 | Very low | 26.3 | Very low | 176 Ų | 176 | 152.2 Ų | 152.2 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | trans | 101.9 | 133.3 | 168.3 | -63.4 | -71.5 | 0 | 0 | 0 | 116.3 | ||||
| 59 | E | 27.2 | Very low | 26.3 | Very low | 179 Ų | 179 | 153.9 Ų | 153.9 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | 86.3 | 84.7 | 174 | -51.2 | -162.4 | 165.3 | 0 | 0 | 117.2 | ||||
| 60 | Q | 27.8 | Very low | 26.3 | Very low | 203 Ų | 203 | 155.8 Ų | 155.8 | 95% | 0.949 | 79% | 0.79 | S | S | * | * | -177.1 | 99.5 | 114.9 | -94.1 | 169.2 | 19 | 0 | 0 | 110.7 | |||||
| 61 | K | 25.1 | Very low | 26.5 | Very low | 206 Ų | 206 | 157.7 Ų | 157.7 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | trans | -98.2 | 153.5 | 164.1 | -108.2 | -178.6 | 177.6 | 177.3 | 0 | 107.9 | ||||
| 62 | K | 25.7 | Very low | 26.5 | Very low | 194 Ų | 194 | 159 Ų | 159 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | 92.3 | 111.2 | 176.9 | -79 | -179.7 | 171.6 | 179.6 | 0 | 112.5 | ||||
| 63 | I | 27.3 | Very low | 26.4 | Very low | 148 Ų | 148 | 159.4 Ų | 159.4 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | -167.8 | 132.4 | 60.5 | -93.2 | 133 | 0 | 0 | 0 | 111.1 | |||||
| 64 | T | 28 | Very low | 26.4 | Very low | 130 Ų | 130 | 158.3 Ų | 158.3 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | trans | 57.1 | 111.7 | 150.4 | 54.3 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 65 | H | 23 | Very low | 26.4 | Very low | 182 Ų | 182 | 156.9 Ų | 156.9 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -70.4 | -174.8 | 146.6 | -88.3 | -77.3 | 0 | 0 | 0 | 112.3 | ||||
| 66 | P | 32.9 | Very low | 26.4 | Very low | 100 Ų | 100 | 153.1 Ų | 153.1 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | cis | -133.2 | -175.4 | -37.4 | 31.7 | -12.1 | 0 | 0 | 0 | 111 | ||||
| 67 | T | 25.8 | Very low | 26.5 | Very low | 122 Ų | 122 | 150 Ų | 150 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | 129.7 | 118.6 | 144.4 | 62.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 68 | L | 27.6 | Very low | 26.8 | Very low | 143 Ų | 143 | 148.6 Ų | 148.6 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | trans | 88.6 | 39.1 | 138.7 | -101.5 | 124.4 | 0 | 0 | 0 | 122.7 | M71 | L68-M71 HydrophobicContact CD2-CE 3.98Š| ||
| 69 | E | 28.3 | Very low | 27 | Very low | 193 Ų | 193 | 146.8 Ų | 146.8 | 90% | 0.902 | 74% | 0.744 | S | S | * | * | trans | -112.9 | -0.7 | 164.8 | -77.9 | -175.5 | 160 | 0 | 0 | 115.2 | M71 | E69-M71 PolarHBondContact O-N 3.02Š| ||
| 70 | D | 26.2 | Very low | 27.2 | Very low | 167 Ų | 167 | 143 Ų | 143 | 89% | 0.893 | 73% | 0.73 | S | S | * | * | trans | -101.7 | 65.6 | -179.4 | -67.4 | -33 | 0 | 0 | 0 | 112.3 | ||||
| 71 | M | 25.6 | Very low | 27.4 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 60% | 0.596 | 73% | 0.728 | S | S | * | * | trans | -114.4 | 107.2 | 163.5 | -93.9 | -164.1 | -80 | 0 | 0 | 110.7 | L68 E69 F382 | L68-M71 HydrophobicContact CD2-CE 3.98Å; E69-M71 PolarHBondContact O-N 3.02Å; M71-F382 HydrophobicContact SD-CE1 3.79Å; M71-F382 HydrophobicContact SD-CZ 4.46Å | ||
| 72 | I | 26.7 | Very low | 27.6 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | trans | -89.6 | 111 | 167.1 | -61.1 | 171.7 | 0 | 0 | 0 | 106.8 | L74 | I72-L74 HydrophobicContact CG2-CD2 4.33Å; I72-L74 HydrophobicContact CG2-CG 4.38Å; I72-L74 PolarHBondContact O-N 3.39Å | ||
| 73 | L | 24.6 | Very low | 27.7 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 59% | 0.592 | 71% | 0.709 | S | S | * | * | trans | -75.7 | 113.8 | 169.8 | -82.8 | 154.2 | 0 | 0 | 0 | 109 | F75 L379 | L73-F75 HydrophobicContact CB-CD2 4.38Å; L73-F75 HydrophobicContact CB-CE2 3.81Å; L73-F75 HydrophobicContact CB-CZ 4.44Å; L73-F75 HydrophobicContact CD2-CE2 4.4Å; L73-F75 HydrophobicContact CD2-CZ 4.2Å; L73-F75 HydrophobicContact CG-CE2 4.47Å; L73-L379 HydrophobicContact CD2-CD2 4.1Å | ||
| 74 | L | 25.5 | Very low | 27.8 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | trans | -95.9 | 109.3 | 170.1 | -68 | 168.5 | 0 | 0 | 0 | 108.3 | I72 | I72-L74 HydrophobicContact CG2-CD2 4.33Å; I72-L74 HydrophobicContact CG2-CG 4.38Å; I72-L74 PolarHBondContact O-N 3.39Å | ||
| 75 | F | 24.7 | Very low | 28.1 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 61% | 0.605 | 71% | 0.714 | S | S | * | * | trans | -91.8 | 132.1 | 167.4 | -65.7 | -84.7 | 0 | 0 | 0 | 108.6 | L73 | L73-F75 HydrophobicContact CB-CD2 4.38Å; L73-F75 HydrophobicContact CB-CE2 3.81Å; L73-F75 HydrophobicContact CB-CZ 4.44Å; L73-F75 HydrophobicContact CD2-CE2 4.4Å; L73-F75 HydrophobicContact CD2-CZ 4.2Å; L73-F75 HydrophobicContact CG-CE2 4.47Å | ||
| 76 | S | 25.3 | Very low | 29 | Very low | 80 Ų | 80 | 138.1 Ų | 138.1 | 56% | 0.559 | 71% | 0.711 | S | S | * | * | trans | -111.2 | 112.9 | 168.6 | 159.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 77 | D | 27.6 | Very low | 30 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 54% | 0.535 | 70% | 0.701 | S | S | . | * | trans | -80.9 | 116.3 | 170.5 | -152.6 | -8 | 0 | 0 | 0 | 108.2 | D79 I463 | D77-D79 VanDerWaalsContact C-N 3.32Å; D77-I463 HydrophobicContact CB-CG2 4.49Å | ||
| 78 | Q | 30.9 | Very low | 31.8 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 65% | 0.645 | 69% | 0.693 | S | S | * | * | trans | -88 | 3.8 | -173.7 | -83.7 | -170.3 | -16.1 | 0 | 0 | 113.5 | ||||
| 79 | D | 31.9 | Very low | 33.7 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | trans | -104.3 | 2.7 | -167.5 | -72.7 | -22.8 | 0 | 0 | 0 | 116.1 | D77 K81 | D77-D79 VanDerWaalsContact C-N 3.32Å; D79-K81 PolarHBondContact O-N 2.9Å | ||
| 80 | N | 30.4 | Very low | 35.8 | Very low | 99 Ų | 99 | 130 Ų | 130 | 53% | 0.529 | 67% | 0.674 | S | S | . | * | trans | -92.6 | 68.1 | 175.9 | -82.3 | -26.7 | 0 | 0 | 0 | 113.7 | S82 F83 | N80-S82 PolarHBondContact O-N 3.33Å; N80-F83 HydrophobicContact CB-CD2 4.02Å; N80-F83 HydrophobicContact CB-CE2 4.18Å | ||
| 81 | K | 32 | Very low | 38 | Very low | 210 Ų | 210 | 122.4 Ų | 122.4 | 91% | 0.913 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 27.4 | 167.9 | -77.8 | -176.8 | 176.6 | 176 | 0 | 114.3 | D79 | D79-K81 PolarHBondContact O-N 2.9Š|
| 82 | S | 29.6 | Very low | 40.3 | Very low | 87 Ų | 87 | 118.8 Ų | 118.8 | 61% | 0.608 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.4 | 4.8 | -174.8 | 60.8 | 0 | 0 | 0 | 0 | 116.8 | N80 N84 | N80-S82 PolarHBondContact O-N 3.33Å; S82-N84 PolarHBondContact O-N 3.17Å |
| 83 | F | 29 | Very low | 42.8 | Very low | 168 Ų | 168 | 114.8 Ų | 114.8 | 74% | 0.737 | 60% | 0.596 | S | S | * | * | trans | -79 | 65.3 | 172.6 | -82.6 | -83.5 | 0 | 0 | 0 | 113 | N80 K85 | N80-F83 HydrophobicContact CB-CD2 4.02Å; N80-F83 HydrophobicContact CB-CE2 4.18Å; F83-K85 VanDerWaalsContact C-N 3.34Å; F83-K85 PolarHBondContact O-N 3.37Å; F83-K85 VanDerWaalsContact O-N 3.1Å | ||
| 84 | N | 27.8 | Very low | 45.4 | Very low | 156 Ų | 156 | 111.5 Ų | 111.5 | 83% | 0.834 | 58% | 0.575 | S | S | * | * | trans | -79.9 | 78 | 167.5 | -84.4 | -27 | 0 | 0 | 0 | 110.9 | S82 | S82-N84 PolarHBondContact O-N 3.17Š| ||
| 85 | K | 35.3 | Very low | 47.9 | Very low | 192 Ų | 192 | 105.1 Ų | 105.1 | 84% | 0.835 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -173.8 | 101.6 | 147.3 | -107.3 | 173.2 | -176.9 | 178.7 | 0 | 107.7 | F83 | F83-K85 VanDerWaalsContact C-N 3.34Å; F83-K85 PolarHBondContact O-N 3.37Å; F83-K85 VanDerWaalsContact O-N 3.1Å |
| 86 | L | 42.5 | Very low | 50.4 | Low | 147 Ų | 147 | 99.8 Ų | 99.8 | 77% | 0.77 | 52% | 0.519 | S | S | * | . | trans | -46.9 | 125.7 | 169.4 | -125.7 | 79.4 | 0 | 0 | 0 | 108.3 | N88 | L86-N88 PolarHBondContact O-N 2.79Š| ||
| 87 | P | 52.5 | Low | 53 | Low | 67 Ų | 67 | 102.2 Ų | 102.2 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | trans | -59.4 | 129 | 176.1 | 22.6 | -29.5 | 0 | 0 | 0 | 108.1 | E89 M92 W179 | P87-E89 PolarHBondContact O-N 3.25Å; P87-M92 HydrophobicContact CB-CE 3.83Å; P87-M92 HydrophobicContact CB-CG 4.08Å; P87-M92 HydrophobicContact CG-CE 4.32Å; P87-M92 HydrophobicContact CG-CG 4.41Å; P87-W179 HydrophobicContact CB-CH2 4.19Å; P87-W179 HydrophobicContact CB-CZ2 4.29Å | ||
| 88 | N | 63.6 | Low | 55.6 | Low | 108 Ų | 108 | 97.4 Ų | 97.4 | 58% | 0.578 | 49% | 0.491 | S | S | * | . | trans | -44.1 | 107.7 | 177.1 | -104.5 | -16.5 | 0 | 0 | 0 | 109 | L86 A90 K91 M92 | L86-N88 PolarHBondContact O-N 2.79Å; N88-A90 PolarHBondContact O-N 3.33Å; N88-A90 VanDerWaalsContact O-N 3.1Å; N88-K91 HydrophobicContact CB-CB 3.85Å; N88-K91 WeakPolarHBondContact O-CA 3.2Å; N88-K91 WeakPolarHBondContact O-CB 3.17Å; N88-K91 PolarHBondContact O-N 3.04Å; N88-M92 PolarHBondContact O-N 3.01Å; N88-M92 VanDerWaalsContact O-N 3.17Å | ||
| 89 | E | 68.5 | Low | 57.8 | Low | 136 Ų | 136 | 91 Ų | 91 | 64% | 0.636 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -53.6 | -38.6 | -173.2 | -69.3 | 178.6 | 170.8 | 0 | 0 | 111.4 | P87 K91 M92 D93 | P87-E89 PolarHBondContact O-N 3.25Å; E89-K91 VanDerWaalsContact C-N 3.31Å; E89-K91 PolarHBondContact O-N 2.92Å; E89-M92 PolarHBondContact O-N 3.47Å; E89-D93 WeakPolarHBondContact O-CB 3.43Å; E89-D93 PolarHBondContact O-N 2.74Å |
| 90 | A | 71 | Confident | 59.9 | Low | 76 Ų | 76 | 89.1 Ų | 89.1 | 63% | 0.628 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.3 | -34.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N88 R94 | N88-A90 PolarHBondContact O-N 3.33Å; N88-A90 VanDerWaalsContact O-N 3.1Å; A90-R94 WeakPolarHBondContact O-CB 2.86Å; A90-R94 PolarHBondContact O-N 3.04Å |
| 91 | K | 73.9 | Confident | 62.3 | Low | 9 Ų | 9 | 85.7 Ų | 85.7 | 4% | 0.039 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -75.9 | -37.9 | -180 | -157.3 | 178.7 | 176.9 | -175.2 | 0 | 110.7 | N88 E89 L95 W179 S225 D226 | N88-K91 HydrophobicContact CB-CB 3.85Å; N88-K91 WeakPolarHBondContact O-CA 3.2Å; N88-K91 WeakPolarHBondContact O-CB 3.17Å; N88-K91 PolarHBondContact O-N 3.04Å; E89-K91 VanDerWaalsContact C-N 3.31Å; E89-K91 PolarHBondContact O-N 2.92Å; K91-L95 PolarHBondContact O-N 2.91Å; K91-W179 VanDerWaalsContact C-CZ3 3.5Å; K91-W179 HydrophobicContact CB-CE3 4.25Å; K91-W179 HydrophobicContact CB-CH2 3.75Å; K91-W179 HydrophobicContact CB-CZ2 4.38Å; K91-W179 HydrophobicContact CB-CZ3 3.71Å; K91-W179 HydrophobicContact CD-CD2 3.48Å; K91-W179 VanDerWaalsContact CD-CD2 3.48Å; K91-W179 HydrophobicContact CD-CE3 3.71Å; K91-W179 HydrophobicContact CD-CG 4Å; K91-W179 HydrophobicContact CD-CH2 3.94Å; K91-W179 HydrophobicContact CD-CZ2 3.78Å; K91-W179 HydrophobicContact CD-CZ3 3.93Å; K91-W179 HydrophobicContact CG-CD2 3.9Å; K91-W179 HydrophobicContact CG-CE3 3.53Å; K91-W179 HydrophobicContact CG-CH2 3.88Å; K91-W179 HydrophobicContact CG-CZ2 4.26Å; K91-W179 HydrophobicContact CG-CZ3 3.53Å; K91-S225 WeakPolarHBondContact CE-O 3.27Å; K91-D226 IonicContact NZ-OD1 3.39Å; K91-D226 PolarHBondContact NZ-OD1 3.07Å; K91-D226 VanDerWaalsContact NZ-OD1 3.07Å |
| 92 | M | 74 | Confident | 64.5 | Low | 45 Ų | 45 | 75.7 Ų | 75.7 | 22% | 0.222 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.6 | -46.4 | 171.9 | -78.7 | -54.5 | 175.4 | 0 | 0 | 112.4 | P87 N88 E89 R94 L95 L96 T176 W179 | P87-M92 HydrophobicContact CB-CE 3.83Å; P87-M92 HydrophobicContact CB-CG 4.08Å; P87-M92 HydrophobicContact CG-CE 4.32Å; P87-M92 HydrophobicContact CG-CG 4.41Å; N88-M92 PolarHBondContact O-N 3.01Å; N88-M92 VanDerWaalsContact O-N 3.17Å; E89-M92 PolarHBondContact O-N 3.47Å; M92-R94 VanDerWaalsContact C-N 3.29Å; M92-R94 PolarHBondContact O-N 3.07Å; M92-L95 PolarHBondContact O-N 3.39Å; M92-L95 VanDerWaalsContact O-N 3.13Å; M92-L96 PolarHBondContact O-N 2.95Å; M92-T176 HydrophobicContact CE-CG2 3.61Å; M92-T176 HydrophobicContact SD-CG2 3.99Å; M92-W179 HydrophobicContact CE-CH2 3.37Å; M92-W179 HydrophobicContact CE-CZ2 4.03Å; M92-W179 HydrophobicContact CE-CZ3 3.73Å; M92-W179 HydrophobicContact CG-CH2 3.76Å; M92-W179 HydrophobicContact CG-CZ3 4Å; M92-W179 HydrophobicContact SD-CH2 3.63Å; M92-W179 HydrophobicContact SD-CZ3 3.49Å; M92-W179 WeakPolarHBondContact SD-CZ3 3.34Å |
| 93 | D | 77.3 | Confident | 66.5 | Low | 61 Ų | 61 | 73.6 Ų | 73.6 | 33% | 0.326 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.3 | -41.9 | 175.9 | -179.3 | 27.1 | 0 | 0 | 0 | 110.9 | E89 L95 L96 R97 | E89-D93 WeakPolarHBondContact O-CB 3.43Å; E89-D93 PolarHBondContact O-N 2.74Å; D93-L95 PolarHBondContact O-N 3.06Å; D93-L96 PolarHBondContact O-N 3.11Å; D93-R97 VanDerWaalsContact O-CG 3.3Å; D93-R97 WeakPolarHBondContact O-CG 3.27Å; D93-R97 PolarHBondContact O-N 2.78Å; D93-R97 IonicContact OD1-CZ 3.82Å; D93-R97 IonicContact OD1-NE 3.07Å; D93-R97 PolarHBondContact OD1-NE 3.23Å; D93-R97 IonicContact OD1-NH2 3.72Å; D93-R97 IonicContact OD2-CZ 3.19Å; D93-R97 IonicContact OD2-NE 3.2Å; D93-R97 PolarHBondContact OD2-NE 3.18Å; D93-R97 IonicContact OD2-NH2 2.65Å; D93-R97 PolarHBondContact OD2-NH2 3.35Å |
| 94 | R | 79.5 | Confident | 68.7 | Low | 45 Ų | 45 | 70.7 Ų | 70.7 | 17% | 0.17 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 173.5 | -172.6 | 77 | 169.5 | 125.8 | -2.6 | 112.6 | A90 M92 L96 R97 I98 N121 D124 L224 G228 | A90-R94 WeakPolarHBondContact O-CB 2.86Å; A90-R94 PolarHBondContact O-N 3.04Å; M92-R94 VanDerWaalsContact C-N 3.29Å; M92-R94 PolarHBondContact O-N 3.07Å; R94-L96 VanDerWaalsContact C-N 3.31Å; R94-L96 PolarHBondContact O-N 3.03Å; R94-R97 PolarHBondContact O-N 2.8Å; R94-I98 HydrophobicContact CG-CD1 3.86Å; R94-I98 HydrophobicContact CG-CG1 4.33Å; R94-I98 WeakPolarHBondContact O-CG1 3.33Å; R94-I98 PolarHBondContact O-N 3.34Å; R94-N121 PolarHBondContact NH1-O 2.85Å; R94-N121 PolarHBondContact NH2-O 2.71Å; R94-N121 VanDerWaalsContact NH2-O 3.07Å; R94-D124 IonicContact NH2-OD1 3.22Å; R94-D124 IonicContact NH2-OD2 3.59Å; R94-D124 PolarHBondContact NH2-OD2 3.15Å; R94-L224 HydrophobicContact CG-CD2 4.03Å; R94-G228 WeakPolarHBondContact CD-O 3.49Å; R94-G228 WeakPolarHBondContact CG-O 3.44Å; R94-G228 PolarHBondContact NE-O 2.62Å |
| 95 | L | 79.4 | Confident | 71 | Confident | 6 Ų | 6 | 65.7 Ų | 65.7 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 179.3 | -177.3 | 149.2 | 0 | 0 | 0 | 111 | K91 M92 D93 I98 N99 W179 V181 L224 | K91-L95 PolarHBondContact O-N 2.91Å; M92-L95 PolarHBondContact O-N 3.39Å; M92-L95 VanDerWaalsContact O-N 3.13Å; D93-L95 PolarHBondContact O-N 3.06Å; L95-I98 PolarHBondContact O-N 2.67Å; L95-N99 PolarHBondContact O-N 3.01Å; L95-W179 HydrophobicContact CD1-CE3 4.05Å; L95-W179 HydrophobicContact CD1-CZ3 4.48Å; L95-V181 HydrophobicContact CD1-CG2 4.45Å; L95-V181 HydrophobicContact CG-CG2 4.1Å; L95-L224 HydrophobicContact CB-CD1 3.87Å; L95-L224 HydrophobicContact CD1-CD1 4.21Å; L95-L224 HydrophobicContact CG-CD1 4.29Å |
| 96 | L | 76 | Confident | 73 | Confident | 26 Ų | 26 | 57.8 Ų | 57.8 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 175.1 | -70.7 | 173.6 | 0 | 0 | 0 | 112.4 | M92 D93 R94 N99 Q100 T272 | M92-L96 PolarHBondContact O-N 2.95Å; D93-L96 PolarHBondContact O-N 3.11Å; R94-L96 VanDerWaalsContact C-N 3.31Å; R94-L96 PolarHBondContact O-N 3.03Å; L96-N99 PolarHBondContact O-N 3Å; L96-Q100 WeakPolarHBondContact O-CG 3.41Å; L96-Q100 PolarHBondContact O-N 3.23Å; L96-Q100 VanDerWaalsContact O-N 3.12Å; L96-T272 HydrophobicContact CD2-CG2 4.01Å |
| 97 | R | 81.3 | Confident | 74.5 | Confident | 131 Ų | 131 | 52.4 Ų | 52.4 | 49% | 0.494 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 175.4 | -70.3 | 176.1 | -164.7 | -163.3 | 3.2 | 111.9 | D93 R94 N99 Q100 D101 | D93-R97 VanDerWaalsContact O-CG 3.3Å; D93-R97 WeakPolarHBondContact O-CG 3.27Å; D93-R97 PolarHBondContact O-N 2.78Å; D93-R97 IonicContact OD1-CZ 3.82Å; D93-R97 IonicContact OD1-NE 3.07Å; D93-R97 PolarHBondContact OD1-NE 3.23Å; D93-R97 IonicContact OD1-NH2 3.72Å; D93-R97 IonicContact OD2-CZ 3.19Å; D93-R97 IonicContact OD2-NE 3.2Å; D93-R97 PolarHBondContact OD2-NE 3.18Å; D93-R97 IonicContact OD2-NH2 2.65Å; D93-R97 PolarHBondContact OD2-NH2 3.35Å; R94-R97 PolarHBondContact O-N 2.8Å; R97-N99 VanDerWaalsContact C-N 3.34Å; R97-N99 PolarHBondContact O-N 3.29Å; R97-Q100 PolarHBondContact O-N 3.47Å; R97-D101 WeakPolarHBondContact O-CB 3.38Å; R97-D101 VanDerWaalsContact O-CG 3.25Å; R97-D101 PolarHBondContact O-N 3.42Å |
| 98 | I | 81.7 | Confident | 75.4 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61 | -43.9 | 177.6 | -74.3 | 169.9 | 0 | 0 | 0 | 110.8 | R94 L95 Q100 D101 I102 V181 L224 I230 | R94-I98 HydrophobicContact CG-CD1 3.86Å; R94-I98 HydrophobicContact CG-CG1 4.33Å; R94-I98 WeakPolarHBondContact O-CG1 3.33Å; R94-I98 PolarHBondContact O-N 3.34Å; L95-I98 PolarHBondContact O-N 2.67Å; I98-Q100 VanDerWaalsContact C-N 3.33Å; I98-Q100 PolarHBondContact O-N 3.11Å; I98-D101 PolarHBondContact O-N 3.48Å; I98-I102 HydrophobicContact CG2-CD1 3.44Å; I98-I102 VanDerWaalsContact CG2-CD1 3.44Å; I98-I102 HydrophobicContact CG2-CG1 4.25Å; I98-I102 WeakPolarHBondContact O-CB 3.42Å; I98-I102 WeakPolarHBondContact O-CD1 3.34Å; I98-I102 WeakPolarHBondContact O-CG1 3.41Å; I98-I102 PolarHBondContact O-N 2.65Å; I98-V181 HydrophobicContact CG2-CG2 4.22Å; I98-L224 HydrophobicContact CD1-CD1 4.17Å; I98-L224 HydrophobicContact CD1-CD2 3.32Å; I98-L224 HydrophobicContact CD1-CG 4.05Å; I98-I230 HydrophobicContact CD1-CD1 3.82Å; I98-I230 HydrophobicContact CD1-CG1 3.68Å; I98-I230 HydrophobicContact CG1-CD1 4.2Å |
| 99 | N | 77.2 | Confident | 76 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.8 | -46.9 | 175 | -74.7 | -25.5 | 0 | 0 | 0 | 111.8 | L95 L96 R97 I102 E103 I172 S174 V181 | L95-N99 PolarHBondContact O-N 3.01Å; L96-N99 PolarHBondContact O-N 3Å; R97-N99 VanDerWaalsContact C-N 3.34Å; R97-N99 PolarHBondContact O-N 3.29Å; N99-I102 PolarHBondContact O-N 3.41Å; N99-E103 WeakPolarHBondContact O-CG 3.44Å; N99-E103 PolarHBondContact O-N 2.81Å; N99-I172 WeakPolarHBondContact OD1-CG2 3.46Å; N99-S174 PolarHBondContact ND2-OG 3.5Å; N99-S174 PolarHBondContact OD1-OG 3.26Å; N99-S174 VanDerWaalsContact OD1-OG 3.13Å; N99-V181 WeakPolarHBondContact OD1-CG1 3.24Å |
| 100 | Q | 76.5 | Confident | 76.3 | Confident | 99 Ų | 99 | 43.7 Ų | 43.7 | 46% | 0.463 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.6 | -47 | 177.2 | -68.9 | 173.6 | 9.4 | 0 | 0 | 111.9 | L96 R97 I98 I102 E103 D104 | L96-Q100 WeakPolarHBondContact O-CG 3.41Å; L96-Q100 PolarHBondContact O-N 3.23Å; L96-Q100 VanDerWaalsContact O-N 3.12Å; R97-Q100 PolarHBondContact O-N 3.47Å; I98-Q100 VanDerWaalsContact C-N 3.33Å; I98-Q100 PolarHBondContact O-N 3.11Å; Q100-I102 VanDerWaalsContact C-N 3.28Å; Q100-I102 PolarHBondContact O-N 3.12Å; Q100-E103 PolarHBondContact O-N 3.13Å; Q100-D104 WeakPolarHBondContact O-CB 3.34Å; Q100-D104 PolarHBondContact O-N 3.44Å |
| 101 | D | 79.5 | Confident | 76.2 | Confident | 26 Ų | 26 | 47.4 Ų | 47.4 | 14% | 0.139 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.3 | -38.7 | 177.8 | -71.3 | -46 | 0 | 0 | 0 | 111.2 | R97 I98 E105 N121 L122 | R97-D101 WeakPolarHBondContact O-CB 3.38Å; R97-D101 VanDerWaalsContact O-CG 3.25Å; R97-D101 PolarHBondContact O-N 3.42Å; I98-D101 PolarHBondContact O-N 3.48Å; D101-E105 WeakPolarHBondContact O-CB 3.37Å; D101-E105 WeakPolarHBondContact O-CG 3.43Å; D101-E105 PolarHBondContact O-N 3.18Å; D101-N121 HydrophobicContact CB-CB 4.36Å; D101-N121 VanDerWaalsContact CG-CB 3.49Å; D101-N121 PolarHBondContact OD1-ND2 3.01Å; D101-N121 WeakPolarHBondContact OD2-CB 3.47Å; D101-L122 HydrophobicContact CB-CD2 3.87Å; D101-L122 HydrophobicContact CB-CG 4.28Å |
| 102 | I | 77.6 | Confident | 76.1 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.7 | -46.4 | 176.1 | -70.9 | 160.5 | 0 | 0 | 0 | 110.6 | I98 N99 Q100 D104 L106 L122 L169 I172 V181 V183 F222 | I98-I102 HydrophobicContact CG2-CD1 3.44Å; I98-I102 VanDerWaalsContact CG2-CD1 3.44Å; I98-I102 HydrophobicContact CG2-CG1 4.25Å; I98-I102 WeakPolarHBondContact O-CB 3.42Å; I98-I102 WeakPolarHBondContact O-CD1 3.34Å; I98-I102 WeakPolarHBondContact O-CG1 3.41Å; I98-I102 PolarHBondContact O-N 2.65Å; N99-I102 PolarHBondContact O-N 3.41Å; Q100-I102 VanDerWaalsContact C-N 3.28Å; Q100-I102 PolarHBondContact O-N 3.12Å; I102-D104 VanDerWaalsContact C-N 3.31Å; I102-D104 PolarHBondContact O-N 2.92Å; I102-L106 HydrophobicContact CG2-CB 4.47Å; I102-L106 HydrophobicContact CG2-CD2 4.34Å; I102-L106 WeakPolarHBondContact O-CB 3.49Å; I102-L106 PolarHBondContact O-N 3.2Å; I102-L106 VanDerWaalsContact O-N 3.12Å; I102-L122 HydrophobicContact CG1-CD2 3.61Å; I102-L169 HydrophobicContact CG2-CD1 4.17Å; I102-I172 HydrophobicContact CB-CD1 4.38Å; I102-I172 HydrophobicContact CG2-CD1 3.78Å; I102-I172 HydrophobicContact CG2-CG1 4.32Å; I102-V181 HydrophobicContact CD1-CG1 3.83Å; I102-V183 HydrophobicContact CD1-CG2 3.7Å; I102-V183 HydrophobicContact CG1-CG2 4.42Å; I102-V183 HydrophobicContact CG2-CB 4.5Å; I102-V183 HydrophobicContact CG2-CG1 3.9Å; I102-V183 HydrophobicContact CG2-CG2 3.76Å; I102-F222 HydrophobicContact CD1-CD2 3.95Å; I102-F222 HydrophobicContact CD1-CE2 3.82Å; I102-F222 HydrophobicContact CD1-CG 4.49Å; I102-F222 HydrophobicContact CD1-CZ 4.22Å; I102-F222 HydrophobicContact CG1-CE2 4.3Å; I102-F222 HydrophobicContact CG1-CZ 4.3Å |
| 103 | E | 73.2 | Confident | 75.6 | Confident | 43 Ų | 43 | 50.1 Ų | 50.1 | 20% | 0.201 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.7 | -39.5 | 179.1 | -74.4 | -176.9 | 173.3 | 0 | 0 | 112.4 | N99 Q100 P107 L169 I172 | N99-E103 WeakPolarHBondContact O-CG 3.44Å; N99-E103 PolarHBondContact O-N 2.81Å; Q100-E103 PolarHBondContact O-N 3.13Å; E103-P107 VanDerWaalsContact O-CD 3.22Å; E103-P107 WeakPolarHBondContact O-CD 3.49Å; E103-P107 VanDerWaalsContact O-CG 3.31Å; E103-P107 WeakPolarHBondContact O-CG 3.23Å; E103-L169 HydrophobicContact CG-CD2 4.15Å; E103-I172 HydrophobicContact CG-CD1 3.38Å |
| 104 | D | 73.8 | Confident | 74.8 | Confident | 107 Ų | 107 | 50.2 Ų | 50.2 | 57% | 0.572 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -81.8 | -42.8 | -176.7 | -72.8 | -22.5 | 0 | 0 | 0 | 112.2 | Q100 I102 L108 | Q100-D104 WeakPolarHBondContact O-CB 3.34Å; Q100-D104 PolarHBondContact O-N 3.44Å; I102-D104 VanDerWaalsContact C-N 3.31Å; I102-D104 PolarHBondContact O-N 2.92Å; D104-L108 WeakPolarHBondContact O-CD1 3.49Å; D104-L108 WeakPolarHBondContact O-CG 2.95Å |
| 105 | E | 76.5 | Confident | 73.8 | Confident | 51 Ų | 51 | 53.8 Ų | 53.8 | 24% | 0.238 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -95.6 | -30.7 | -167.7 | -65.3 | -78.9 | -132.9 | 0 | 0 | 114.6 | D101 L108 K112 P119 L122 | D101-E105 WeakPolarHBondContact O-CB 3.37Å; D101-E105 WeakPolarHBondContact O-CG 3.43Å; D101-E105 PolarHBondContact O-N 3.18Å; E105-L108 PolarHBondContact O-N 3.24Å; E105-K112 IonicContact OE1-NZ 2.64Å; E105-K112 PolarHBondContact OE1-NZ 3.34Å; E105-K112 WeakPolarHBondContact OE2-CE 3.21Å; E105-K112 IonicContact OE2-NZ 3.78Å; E105-K112 PolarHBondContact OE2-NZ 2.79Å; E105-P119 HydrophobicContact CB-CB 4.01Å; E105-P119 HydrophobicContact CB-CG 3.89Å; E105-P119 HydrophobicContact CG-CB 3.95Å; E105-P119 HydrophobicContact CG-CG 4.33Å; E105-L122 HydrophobicContact CB-CD1 4.09Å |
| 106 | L | 76.7 | Confident | 73.2 | Confident | 27 Ų | 27 | 57 Ų | 57 | 14% | 0.141 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -67.8 | -42.1 | -176.1 | -161.4 | 73.1 | 0 | 0 | 0 | 112.5 | I102 L108 F109 L167 L169 V183 F185 | I102-L106 HydrophobicContact CG2-CB 4.47Å; I102-L106 HydrophobicContact CG2-CD2 4.34Å; I102-L106 WeakPolarHBondContact O-CB 3.49Å; I102-L106 PolarHBondContact O-N 3.2Å; I102-L106 VanDerWaalsContact O-N 3.12Å; L106-L108 PolarHBondContact O-N 3.12Å; L106-F109 WeakPolarHBondContact O-CB 3.23Å; L106-F109 PolarHBondContact O-N 3.39Å; L106-F109 VanDerWaalsContact O-N 3.11Å; L106-L167 HydrophobicContact CB-CD2 4.41Å; L106-L167 HydrophobicContact CD1-CD1 4.19Å; L106-L167 HydrophobicContact CD2-CD2 3.81Å; L106-L167 HydrophobicContact CG-CD1 3.94Å; L106-L167 HydrophobicContact CG-CD2 3.63Å; L106-L167 HydrophobicContact CG-CG 4.46Å; L106-L169 HydrophobicContact CD2-CD1 3.99Å; L106-V183 HydrophobicContact CD2-CG1 3.96Å; L106-F185 HydrophobicContact CD2-CB 4.09Å; L106-F185 HydrophobicContact CD2-CD1 3.94Å; L106-F185 HydrophobicContact CD2-CG 4.02Å |
| 107 | P | 74.3 | Confident | 72.5 | Confident | 34 Ų | 34 | 60.6 Ų | 60.6 | 22% | 0.221 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -60.4 | -30.6 | 175.3 | -25.1 | 36.8 | 0 | 0 | 0 | 113.2 | E103 F109 | E103-P107 VanDerWaalsContact O-CD 3.22Å; E103-P107 WeakPolarHBondContact O-CD 3.49Å; E103-P107 VanDerWaalsContact O-CG 3.31Å; E103-P107 WeakPolarHBondContact O-CG 3.23Å; P107-F109 PolarHBondContact O-N 3.45Å |
| 108 | L | 72.7 | Confident | 71.7 | Confident | 64 Ų | 64 | 55.5 Ų | 55.5 | 34% | 0.335 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -79.6 | 4.5 | 180 | -56.6 | 177.1 | 0 | 0 | 0 | 113.2 | D104 E105 L106 F110 E111 K112 | D104-L108 WeakPolarHBondContact O-CD1 3.49Å; D104-L108 WeakPolarHBondContact O-CG 2.95Å; E105-L108 PolarHBondContact O-N 3.24Å; L106-L108 PolarHBondContact O-N 3.12Å; L108-F110 VanDerWaalsContact C-N 3.28Å; L108-F110 PolarHBondContact O-N 2.99Å; L108-F110 VanDerWaalsContact O-N 3.15Å; L108-E111 WeakPolarHBondContact CD2-OE2 3.44Å; L108-E111 PolarHBondContact O-N 3.45Å; L108-K112 PolarHBondContact O-N 3.06Å |
| 109 | F | 75.6 | Confident | 70.9 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 16% | 0.162 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -53.7 | -40.7 | -172.1 | -179.5 | -95.4 | 0 | 0 | 0 | 114.2 | L106 P107 V151 R155 L167 | L106-F109 WeakPolarHBondContact O-CB 3.23Å; L106-F109 PolarHBondContact O-N 3.39Å; L106-F109 VanDerWaalsContact O-N 3.11Å; P107-F109 PolarHBondContact O-N 3.45Å; F109-V151 HydrophobicContact CE2-CG1 3.76Å; F109-V151 HydrophobicContact CE2-CG2 4.43Å; F109-V151 HydrophobicContact CZ-CG1 4.01Å; F109-R155 HydrophobicContact CD1-CG 4.42Å; F109-R155 HydrophobicContact CE1-CG 3.73Å; F109-R155 HydrophobicContact CZ-CG 3.89Å; F109-R155 PolarHBondContact O-NE 3.4Å; F109-R155 PolarHBondContact O-NH2 2.9Å; F109-L167 HydrophobicContact CB-CB 4.49Å; F109-L167 HydrophobicContact CB-CD1 3.86Å; F109-L167 HydrophobicContact CD1-CD1 4.44Å; F109-L167 HydrophobicContact CG-CD1 4.17Å |
| 110 | F | 74.6 | Confident | 70.3 | Confident | 27 Ų | 27 | 63 Ų | 63 | 12% | 0.118 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -91 | -15.8 | 178.8 | -66.6 | -62.5 | 0 | 0 | 0 | 114.1 | L108 F158 R165 L167 I187 | L108-F110 VanDerWaalsContact C-N 3.28Å; L108-F110 PolarHBondContact O-N 2.99Å; L108-F110 VanDerWaalsContact O-N 3.15Å; F110-F158 HydrophobicContact CE1-CB 3.77Å; F110-F158 AromaticContact CE1-CD2 3.84Å; F110-F158 HydrophobicContact CE1-CD2 3.84Å; F110-F158 HydrophobicContact CE1-CG 4.11Å; F110-F158 HydrophobicContact CZ-CB 4.12Å; F110-F158 AromaticContact CZ-CD2 3.78Å; F110-F158 HydrophobicContact CZ-CD2 3.78Å; F110-F158 HydrophobicContact CZ-CE2 4.47Å; F110-F158 HydrophobicContact CZ-CG 4.06Å; F110-R165 HydrophobicContact CB-CG 4.11Å; F110-R165 HydrophobicContact CD1-CG 4.06Å; F110-R165 HydrophobicContact CD2-CB 4.35Å; F110-R165 HydrophobicContact CD2-CG 4.14Å; F110-R165 HydrophobicContact CE2-CB 4.47Å; F110-R165 HydrophobicContact CG-CG 3.84Å; F110-L167 HydrophobicContact CD2-CB 4.23Å; F110-L167 HydrophobicContact CE2-CB 4.16Å; F110-I187 HydrophobicContact CE2-CG1 4.38Å; F110-I187 HydrophobicContact CE2-CG2 3.81Å; F110-I187 HydrophobicContact CZ-CD1 4.2Å; F110-I187 HydrophobicContact CZ-CG1 4.45Å; F110-I187 HydrophobicContact CZ-CG2 3.77Å |
| 111 | E | 69.9 | Low | 69.9 | Low | 154 Ų | 154 | 62.2 Ų | 62.2 | 72% | 0.72 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -28.7 | 175.5 | -61.2 | -173.6 | -171 | 0 | 0 | 111.4 | L108 | L108-E111 WeakPolarHBondContact CD2-OE2 3.44Å; L108-E111 PolarHBondContact O-N 3.45Å |
| 112 | K | 69.8 | Low | 69.5 | Low | 39 Ų | 39 | 61.6 Ų | 61.6 | 17% | 0.17 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -67.7 | 144.3 | 171.9 | -70.5 | -174.9 | 179.3 | -168.9 | 0 | 110.9 | E105 L108 N116 | E105-K112 IonicContact OE1-NZ 2.64Å; E105-K112 PolarHBondContact OE1-NZ 3.34Å; E105-K112 WeakPolarHBondContact OE2-CE 3.21Å; E105-K112 IonicContact OE2-NZ 3.78Å; E105-K112 PolarHBondContact OE2-NZ 2.79Å; L108-K112 PolarHBondContact O-N 3.06Å; K112-N116 HydrophobicContact CB-CB 4.04Å |
| 113 | T | 63.6 | Low | 69.5 | Low | 71 Ų | 71 | 62.7 Ų | 62.7 | 44% | 0.436 | 31% | 0.311 | S | S | . | . | trans | -61.6 | 159.7 | -179.6 | 80.1 | 0 | 0 | 0 | 0 | 111.5 | F115 N116 R155 | T113-F115 PolarHBondContact O-N 3.35Å; T113-F115 VanDerWaalsContact O-N 3.13Å; T113-N116 PolarHBondContact N-ND2 3.33Å; T113-N116 PolarHBondContact O-N 2.99Å; T113-N116 VanDerWaalsContact O-N 3.08Å; T113-N116 WeakPolarHBondContact OG1-CB 3.44Å; T113-N116 PolarHBondContact OG1-N 3.13Å; T113-N116 PolarHBondContact OG1-OD1 2.99Å; T113-R155 PolarHBondContact O-NH1 3.46Å | ||
| 114 | L | 60.7 | Low | 69.9 | Low | 63 Ų | 63 | 62.4 Ų | 62.4 | 33% | 0.33 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -44.8 | 179.7 | -70.3 | 176 | 0 | 0 | 0 | 112.2 | V152 R155 | L114-V152 WeakPolarHBondContact O-CG2 3.43Å; L114-R155 HydrophobicContact CD2-CB 3.65Å; L114-R155 PolarHBondContact O-NH1 3.24Å |
| 115 | F | 58.8 | Low | 70 | Confident | 120 Ų | 120 | 61.2 Ų | 61.2 | 53% | 0.526 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 4.3 | -176.5 | -56.1 | -75 | 0 | 0 | 0 | 114.2 | L5 T113 E117 V152 | L5-F115 HydrophobicContact CB-CE2 4.45Å; L5-F115 HydrophobicContact CB-CZ 4.46Å; L5-F115 HydrophobicContact CD1-CZ 4.36Å; T113-F115 PolarHBondContact O-N 3.35Å; T113-F115 VanDerWaalsContact O-N 3.13Å; F115-E117 PolarHBondContact O-N 2.97Å; F115-V152 HydrophobicContact CD1-CG1 4.13Å; F115-V152 HydrophobicContact CD1-CG2 4.19Å; F115-V152 HydrophobicContact CE1-CG1 3.89Å |
| 116 | N | 66.3 | Low | 70.2 | Confident | 75 Ų | 75 | 63.9 Ų | 63.9 | 40% | 0.401 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 138.6 | 175.8 | -95.5 | 11.6 | 0 | 0 | 0 | 109.5 | K112 T113 L118 R155 | K112-N116 HydrophobicContact CB-CB 4.04Å; T113-N116 PolarHBondContact N-ND2 3.33Å; T113-N116 PolarHBondContact O-N 2.99Å; T113-N116 VanDerWaalsContact O-N 3.08Å; T113-N116 WeakPolarHBondContact OG1-CB 3.44Å; T113-N116 PolarHBondContact OG1-N 3.13Å; T113-N116 PolarHBondContact OG1-OD1 2.99Å; N116-L118 PolarHBondContact O-N 2.86Å; N116-R155 PolarHBondContact O-NH1 2.9Å; N116-R155 VanDerWaalsContact O-NH1 3.15Å |
| 117 | E | 62.2 | Low | 70.5 | Confident | 100 Ų | 100 | 62.6 Ų | 62.6 | 47% | 0.467 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -48.7 | 138 | 178.5 | -62.3 | -174 | 153.5 | 0 | 0 | 110 | F115 K120 | F115-E117 PolarHBondContact O-N 2.97Å; E117-K120 WeakPolarHBondContact OE2-CE 3.38Å; E117-K120 IonicContact OE2-NZ 3.06Å; E117-K120 PolarHBondContact OE2-NZ 3Å |
| 118 | L | 65.2 | Low | 71.1 | Confident | 25 Ų | 25 | 61.5 Ų | 61.5 | 13% | 0.131 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -52.3 | 144.9 | 165.4 | -104 | 131 | 0 | 0 | 0 | 108.2 | N116 K120 L123 I147 R148 V151 | N116-L118 PolarHBondContact O-N 2.86Å; L118-K120 PolarHBondContact O-N 2.83Å; L118-L123 HydrophobicContact CB-CD1 3.99Å; L118-L123 HydrophobicContact CD1-CD1 3.66Å; L118-L123 HydrophobicContact CD2-CD1 3.34Å; L118-L123 HydrophobicContact CD2-CG 3.98Å; L118-L123 HydrophobicContact CG-CD1 3.81Å; L118-I147 HydrophobicContact CD1-CG2 4.01Å; L118-R148 HydrophobicContact CD1-CB 4.12Å; L118-R148 HydrophobicContact CD1-CG 3.55Å; L118-V151 HydrophobicContact CD1-CB 4.23Å; L118-V151 HydrophobicContact CD1-CG2 3.8Å; L118-V151 HydrophobicContact CD2-CG2 3.91Å; L118-V151 HydrophobicContact CG-CG2 3.98Å |
| 119 | P | 64 | Low | 71.7 | Confident | 17 Ų | 17 | 59 Ų | 59 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | trans | -53.4 | 113.3 | 174.8 | -19.1 | 31.2 | 0 | 0 | 0 | 107.9 | E105 N121 L122 | E105-P119 HydrophobicContact CB-CB 4.01Å; E105-P119 HydrophobicContact CB-CG 3.89Å; E105-P119 HydrophobicContact CG-CB 3.95Å; E105-P119 HydrophobicContact CG-CG 4.33Å; P119-N121 PolarHBondContact O-N 2.93Å; P119-L122 HydrophobicContact CB-CB 4.17Å; P119-L122 HydrophobicContact CB-CD1 3.75Å; P119-L122 HydrophobicContact CB-CG 4Å; P119-L122 HydrophobicContact CG-CD1 3.77Å; P119-L122 PolarHBondContact O-N 3.39Å | ||
| 120 | K | 65 | Low | 72.2 | Confident | 145 Ų | 145 | 60.9 Ų | 60.9 | 63% | 0.63 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -24.3 | -171.8 | -70 | -176.4 | -179.3 | 173.7 | 0 | 112.1 | E117 L118 | E117-K120 WeakPolarHBondContact OE2-CE 3.38Å; E117-K120 IonicContact OE2-NZ 3.06Å; E117-K120 PolarHBondContact OE2-NZ 3Å; L118-K120 PolarHBondContact O-N 2.83Å |
| 121 | N | 67.8 | Low | 72.5 | Confident | 82 Ų | 82 | 62 Ų | 62 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -18.9 | -176.7 | -55.1 | -10.4 | 0 | 0 | 0 | 113.3 | R94 D101 P119 | R94-N121 PolarHBondContact NH1-O 2.85Å; R94-N121 PolarHBondContact NH2-O 2.71Å; R94-N121 VanDerWaalsContact NH2-O 3.07Å; D101-N121 HydrophobicContact CB-CB 4.36Å; D101-N121 VanDerWaalsContact CG-CB 3.49Å; D101-N121 PolarHBondContact OD1-ND2 3.01Å; D101-N121 WeakPolarHBondContact OD2-CB 3.47Å; P119-N121 PolarHBondContact O-N 2.93Å |
| 122 | L | 71.6 | Confident | 72.8 | Confident | 13 Ų | 13 | 58.9 Ų | 58.9 | 7% | 0.068 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -92.9 | -7.2 | -176.3 | -70.3 | 176.8 | 0 | 0 | 0 | 114 | D101 I102 E105 P119 I230 | D101-L122 HydrophobicContact CB-CD2 3.87Å; D101-L122 HydrophobicContact CB-CG 4.28Å; I102-L122 HydrophobicContact CG1-CD2 3.61Å; E105-L122 HydrophobicContact CB-CD1 4.09Å; P119-L122 HydrophobicContact CB-CB 4.17Å; P119-L122 HydrophobicContact CB-CD1 3.75Å; P119-L122 HydrophobicContact CB-CG 4Å; P119-L122 HydrophobicContact CG-CD1 3.77Å; P119-L122 PolarHBondContact O-N 3.39Å; L122-I230 WeakPolarHBondContact O-CD1 3.38Å |
| 123 | L | 78.1 | Confident | 72.8 | Confident | 22 Ų | 22 | 63 Ų | 63 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | trans | -135.4 | 124.8 | 175.8 | -68.3 | 179.3 | 0 | 0 | 0 | 110.4 | L118 T127 I147 I233 | L118-L123 HydrophobicContact CB-CD1 3.99Å; L118-L123 HydrophobicContact CD1-CD1 3.66Å; L118-L123 HydrophobicContact CD2-CD1 3.34Å; L118-L123 HydrophobicContact CD2-CG 3.98Å; L118-L123 HydrophobicContact CG-CD1 3.81Å; L123-T127 HydrophobicContact CD2-CG2 3.82Å; L123-I147 HydrophobicContact CD1-CB 4.28Å; L123-I147 HydrophobicContact CD1-CG2 3.54Å; L123-I147 HydrophobicContact CD2-CD1 4.4Å; L123-I147 HydrophobicContact CD2-CG2 4.26Å; L123-I233 HydrophobicContact CD2-CD1 3.54Å | ||
| 124 | D | 80.7 | Confident | 72.9 | Confident | 37 Ų | 37 | 69.1 Ų | 69.1 | 20% | 0.198 | 33% | 0.326 | C | S | . | . | trans | -88.6 | 159.8 | 165.8 | -71.9 | -59.6 | 0 | 0 | 0 | 109.8 | R94 D126 T127 K229 I230 | R94-D124 IonicContact NH2-OD1 3.22Å; R94-D124 IonicContact NH2-OD2 3.59Å; R94-D124 PolarHBondContact NH2-OD2 3.15Å; D124-D126 PolarHBondContact O-N 3.08Å; D124-T127 PolarHBondContact N-OG1 2.91Å; D124-T127 WeakPolarHBondContact O-CB 3.45Å; D124-T127 PolarHBondContact O-N 3.47Å; D124-T127 PolarHBondContact O-OG1 3.39Å; D124-K229 HydrophobicContact CB-CB 4.26Å; D124-K229 VanDerWaalsContact OD2-CA 3.27Å; D124-K229 WeakPolarHBondContact OD2-CA 3.34Å; D124-I230 PolarHBondContact OD2-N 3.47Å | ||
| 125 | S | 75.2 | Confident | 73.2 | Confident | 83 Ų | 83 | 72 Ų | 72 | 58% | 0.58 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -31.8 | -175.5 | 52.7 | 0 | 0 | 0 | 0 | 114 | ||
| 126 | D | 81.1 | Confident | 73.5 | Confident | 106 Ų | 106 | 68.2 Ų | 68.2 | 57% | 0.567 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 4.8 | -175.5 | -60.3 | -46.5 | 0 | 0 | 0 | 113.5 | D124 V128 | D124-D126 PolarHBondContact O-N 3.08Å; D126-V128 PolarHBondContact O-N 2.9Å |
| 127 | T | 83.4 | Confident | 73.7 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.006 | 33% | 0.331 | C | S | . | . | trans | -61.3 | 130.9 | -178.5 | -57 | 0 | 0 | 0 | 0 | 111.1 | L123 D124 I147 I230 I233 | L123-T127 HydrophobicContact CD2-CG2 3.82Å; D124-T127 PolarHBondContact N-OG1 2.91Å; D124-T127 WeakPolarHBondContact O-CB 3.45Å; D124-T127 PolarHBondContact O-N 3.47Å; D124-T127 PolarHBondContact O-OG1 3.39Å; T127-I147 WeakPolarHBondContact O-CD1 3.07Å; T127-I230 WeakPolarHBondContact CA-O 3.22Å; T127-I230 WeakPolarHBondContact CB-O 3.11Å; T127-I230 HydrophobicContact CG2-CG2 3.87Å; T127-I230 PolarHBondContact OG1-O 3Å; T127-I233 HydrophobicContact CG2-CD1 3.84Å; T127-I233 HydrophobicContact CG2-CG1 3.84Å | ||
| 128 | V | 86.9 | Confident | 74.5 | Confident | 11 Ų | 11 | 66 Ų | 66 | 7% | 0.067 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 125.1 | 174.3 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | D126 Y130 R140 K142 N231 A232 I233 | D126-V128 PolarHBondContact O-N 2.9Å; V128-Y130 HydrophobicContact CB-CE2 3.99Å; V128-Y130 HydrophobicContact CG1-CD2 4.14Å; V128-Y130 HydrophobicContact CG1-CE1 4.22Å; V128-Y130 HydrophobicContact CG1-CE2 3.52Å; V128-R140 HydrophobicContact CG1-CG 3.45Å; V128-R140 VanDerWaalsContact CG1-CG 3.45Å; V128-K142 HydrophobicContact CG2-CG 4.28Å; V128-N231 PolarHBondContact N-O 2.73Å; V128-A232 CarbonylContact O-C 3.59Å; V128-A232 WeakPolarHBondContact O-CA 3.49Å; V128-I233 PolarHBondContact O-N 2.88Å |
| 129 | V | 85.2 | Confident | 75.1 | Confident | 11 Ų | 11 | 65.8 Ų | 65.8 | 7% | 0.067 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 120.3 | 176.4 | 178.3 | 0 | 0 | 0 | 0 | 109.7 | L141 I147 L150 I233 | V129-L141 HydrophobicContact CB-CB 4.43Å; V129-L141 PolarHBondContact N-O 2.93Å; V129-L141 PolarHBondContact O-N 3.1Å; V129-I147 HydrophobicContact CB-CG1 4.26Å; V129-I147 HydrophobicContact CG2-CB 4.45Å; V129-I147 HydrophobicContact CG2-CD1 3.67Å; V129-I147 HydrophobicContact CG2-CG1 3.68Å; V129-I147 HydrophobicContact CG2-CG2 3.91Å; V129-L150 HydrophobicContact CG1-CD2 4.45Å; V129-I233 CarbonylContact C-O 3.57Å; V129-I233 WeakPolarHBondContact CA-O 3.14Å; V129-I233 HydrophobicContact CG2-CB 4.33Å |
| 130 | Y | 85.8 | Confident | 76.2 | Confident | 76 Ų | 76 | 72.3 Ų | 72.3 | 30% | 0.298 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 121.2 | 170.3 | -61.2 | -87.8 | 0 | 0 | 0 | 108.4 | V128 V138 C139 R140 A232 I233 K234 L235 | V128-Y130 HydrophobicContact CB-CE2 3.99Å; V128-Y130 HydrophobicContact CG1-CD2 4.14Å; V128-Y130 HydrophobicContact CG1-CE1 4.22Å; V128-Y130 HydrophobicContact CG1-CE2 3.52Å; Y130-V138 HydrophobicContact CD1-CG1 4.06Å; Y130-C139 CarbonylContact C-O 3.6Å; Y130-C139 WeakPolarHBondContact CA-O 3.08Å; Y130-R140 HydrophobicContact CD1-CB 4.22Å; Y130-R140 HydrophobicContact CD1-CG 4.21Å; Y130-R140 HydrophobicContact CE1-CB 4.14Å; Y130-R140 HydrophobicContact CE1-CG 3.78Å; Y130-A232 HydrophobicContact CD2-CB 4.16Å; Y130-A232 HydrophobicContact CE2-CB 3.83Å; Y130-I233 PolarHBondContact N-O 3.5Å; Y130-K234 CarbonylContact O-C 3.6Å; Y130-K234 WeakPolarHBondContact O-CA 3.39Å; Y130-L235 PolarHBondContact O-N 3.19Å |
| 131 | Y | 81.5 | Confident | 77 | Confident | 51 Ų | 51 | 66.7 Ų | 66.7 | 20% | 0.2 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 133.9 | 173.9 | 71.1 | -90 | 0 | 0 | 0 | 110.8 | R133 C139 L141 L235 | Y131-R133 HydrophobicContact CD2-CG 4.3Å; Y131-R133 HydrophobicContact CE2-CG 3.82Å; Y131-R133 PolarHBondContact OH-NH2 3.39Å; Y131-C139 HydrophobicContact CD1-CB 3.8Å; Y131-C139 HydrophobicContact CD2-CB 4.11Å; Y131-C139 HydrophobicContact CE1-CB 3.26Å; Y131-C139 HydrophobicContact CE2-CB 3.61Å; Y131-C139 HydrophobicContact CG-CB 4.2Å; Y131-C139 PolarHBondContact N-O 3.15Å; Y131-C139 PolarHBondContact O-N 3.42Å; Y131-C139 WeakPolarHBondContact OH-CB 3.33Å; Y131-L141 HydrophobicContact CD1-CD1 3.99Å; Y131-L141 HydrophobicContact CD1-CG 4.18Å; Y131-L141 HydrophobicContact CE1-CD1 3.74Å; Y131-L141 HydrophobicContact CE1-CD2 4.27Å; Y131-L141 HydrophobicContact CE1-CG 3.78Å; Y131-L235 WeakPolarHBondContact CA-O 3.41Å |
| 132 | E | 75.7 | Confident | 77.8 | Confident | 89 Ų | 89 | 69.1 Ų | 69.1 | 42% | 0.416 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 127.2 | 177.2 | -170.9 | 177.6 | -175.4 | 0 | 0 | 110.4 | L235 T236 | E132-L235 PolarHBondContact N-O 3.47Å; E132-T236 HydrophobicContact CB-CG2 4.34Å; E132-T236 VanDerWaalsContact OE2-CG2 3.31Å; E132-T236 WeakPolarHBondContact OE2-CG2 3.34Å |
| 133 | R | 69.5 | Low | 78 | Confident | 125 Ų | 125 | 69.7 Ų | 69.7 | 47% | 0.472 | 35% | 0.349 | S | S | . | . | trans | -84.2 | 162 | 171.8 | -70.1 | -172.9 | 179.5 | 171.2 | 5.3 | 110.3 | Y131 N135 G136 S137 C139 | Y131-R133 HydrophobicContact CD2-CG 4.3Å; Y131-R133 HydrophobicContact CE2-CG 3.82Å; Y131-R133 PolarHBondContact OH-NH2 3.39Å; R133-N135 WeakPolarHBondContact CB-OD1 3.42Å; R133-N135 PolarHBondContact O-N 3.21Å; R133-G136 WeakPolarHBondContact O-CA 3.15Å; R133-G136 PolarHBondContact O-N 2.91Å; R133-S137 WeakPolarHBondContact CB-O 3.41Å; R133-S137 WeakPolarHBondContact CD-OG 3.16Å; R133-S137 PolarHBondContact N-O 3Å; R133-C139 PolarHBondContact NE-SG 3.1Å; R133-C139 PolarHBondContact NH2-SG 3.01Å; R133-C139 VanDerWaalsContact NH2-SG 3.42Å | ||
| 134 | R | 66.1 | Low | 78.1 | Confident | 200 Ų | 200 | 72.8 Ų | 72.8 | 76% | 0.755 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -25 | 178 | -70.6 | -176 | 176.4 | -168.4 | -5 | 114.9 | G136 | R134-G136 PolarHBondContact O-N 2.82Š|
| 135 | N | 67.9 | Low | 78 | Confident | 122 Ų | 122 | 74.9 Ų | 74.9 | 65% | 0.652 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 8.3 | 176.2 | 65.4 | -17.4 | 0 | 0 | 0 | 112.8 | R133 S137 | R133-N135 WeakPolarHBondContact CB-OD1 3.42Å; R133-N135 PolarHBondContact O-N 3.21Å; N135-S137 PolarHBondContact ND2-OG 2.73Å; N135-S137 PolarHBondContact O-N 3.2Å; N135-S137 WeakPolarHBondContact OD1-CB 3.34Å; N135-S137 PolarHBondContact OD1-N 2.96Å; N135-S137 VanDerWaalsContact OD1-N 3.11Å; N135-S137 PolarHBondContact OD1-OG 3.26Å |
| 136 | G | 64.8 | Low | 78.2 | Confident | 42 Ų | 42 | 78.7 Ų | 78.7 | 43% | 0.433 | 38% | 0.383 | S | S | . | . | S | Bend | trans | 77.1 | -3.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R133 R134 V138 | R133-G136 WeakPolarHBondContact O-CA 3.15Å; R133-G136 PolarHBondContact O-N 2.91Å; R134-G136 PolarHBondContact O-N 2.82Å; G136-V138 PolarHBondContact O-N 3.15Å |
| 137 | S | 71 | Confident | 78 | Confident | 41 Ų | 41 | 74 Ų | 74 | 29% | 0.287 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 126.4 | 179.2 | 75.8 | 0 | 0 | 0 | 0 | 109.8 | R133 N135 | R133-S137 WeakPolarHBondContact CB-O 3.41Å; R133-S137 WeakPolarHBondContact CD-OG 3.16Å; R133-S137 PolarHBondContact N-O 3Å; N135-S137 PolarHBondContact ND2-OG 2.73Å; N135-S137 PolarHBondContact O-N 3.2Å; N135-S137 WeakPolarHBondContact OD1-CB 3.34Å; N135-S137 PolarHBondContact OD1-N 2.96Å; N135-S137 VanDerWaalsContact OD1-N 3.11Å; N135-S137 PolarHBondContact OD1-OG 3.26Å |
| 138 | V | 77.4 | Confident | 77.7 | Confident | 87 Ų | 87 | 78.3 Ų | 78.3 | 53% | 0.527 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 123.8 | 174.8 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | Y130 G136 | Y130-V138 HydrophobicContact CD1-CG1 4.06Å; G136-V138 PolarHBondContact O-N 3.15Å |
| 139 | C | 78.9 | Confident | 77 | Confident | 21 Ų | 21 | 80.2 Ų | 80.2 | 14% | 0.142 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 138 | 174.9 | -71.1 | 0 | 0 | 0 | 0 | 110.6 | Y130 Y131 R133 | Y130-C139 CarbonylContact C-O 3.6Å; Y130-C139 WeakPolarHBondContact CA-O 3.08Å; Y131-C139 HydrophobicContact CD1-CB 3.8Å; Y131-C139 HydrophobicContact CD2-CB 4.11Å; Y131-C139 HydrophobicContact CE1-CB 3.26Å; Y131-C139 HydrophobicContact CE2-CB 3.61Å; Y131-C139 HydrophobicContact CG-CB 4.2Å; Y131-C139 PolarHBondContact N-O 3.15Å; Y131-C139 PolarHBondContact O-N 3.42Å; Y131-C139 WeakPolarHBondContact OH-CB 3.33Å; R133-C139 PolarHBondContact NE-SG 3.1Å; R133-C139 PolarHBondContact NH2-SG 3.01Å; R133-C139 VanDerWaalsContact NH2-SG 3.42Å |
| 140 | R | 87.6 | Confident | 76.7 | Confident | 153 Ų | 153 | 82 Ų | 82 | 58% | 0.577 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 124.4 | 179.4 | -174.1 | -175.5 | -179.6 | -175.8 | 4 | 109.8 | V128 Y130 | V128-R140 HydrophobicContact CG1-CG 3.45Å; V128-R140 VanDerWaalsContact CG1-CG 3.45Å; Y130-R140 HydrophobicContact CD1-CB 4.22Å; Y130-R140 HydrophobicContact CD1-CG 4.21Å; Y130-R140 HydrophobicContact CE1-CB 4.14Å; Y130-R140 HydrophobicContact CE1-CG 3.78Å |
| 141 | L | 81 | Confident | 76.3 | Confident | 27 Ų | 27 | 79.2 Ų | 79.2 | 14% | 0.141 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125.2 | 169.1 | -61.6 | 174.5 | 0 | 0 | 0 | 108.5 | V129 Y131 W146 L150 | V129-L141 HydrophobicContact CB-CB 4.43Å; V129-L141 PolarHBondContact N-O 2.93Å; V129-L141 PolarHBondContact O-N 3.1Å; Y131-L141 HydrophobicContact CD1-CD1 3.99Å; Y131-L141 HydrophobicContact CD1-CG 4.18Å; Y131-L141 HydrophobicContact CE1-CD1 3.74Å; Y131-L141 HydrophobicContact CE1-CD2 4.27Å; Y131-L141 HydrophobicContact CE1-CG 3.78Å; L141-W146 HydrophobicContact CB-CB 4.43Å; L141-W146 HydrophobicContact CD2-CB 4.38Å; L141-L150 HydrophobicContact CD1-CB 3.95Å; L141-L150 HydrophobicContact CD1-CD1 4.38Å; L141-L150 HydrophobicContact CD1-CD2 3.72Å; L141-L150 HydrophobicContact CD1-CG 4.22Å |
| 142 | K | 83.9 | Confident | 75.9 | Confident | 134 Ų | 134 | 78.6 Ų | 78.6 | 58% | 0.583 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 135.4 | 174.4 | -175 | 177.3 | -179.4 | -176.4 | 0 | 108.4 | V128 | V128-K142 HydrophobicContact CG2-CG 4.28Å |
| 143 | G | 76.7 | Confident | 75.9 | Confident | 24 Ų | 24 | 77 Ų | 77 | 25% | 0.247 | 39% | 0.394 | C | S | . | . | S | Bend | trans | 99.8 | 136.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S145 W146 I147 | G143-S145 VanDerWaalsContact C-N 3.25Å; G143-S145 PolarHBondContact O-N 2.99Å; G143-W146 PolarHBondContact O-N 2.71Å; G143-I147 WeakPolarHBondContact O-CG1 3.34Å; G143-I147 PolarHBondContact O-N 2.95Å |
| 144 | E | 79.7 | Confident | 76.4 | Confident | 87 Ų | 87 | 72.7 Ų | 72.7 | 41% | 0.407 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.4 | -36.1 | -174.5 | -164.9 | -172.3 | 170.6 | 0 | 0 | 112.9 | W146 I147 R148 | E144-W146 PolarHBondContact O-N 3.45Å; E144-I147 PolarHBondContact O-N 3.2Å; E144-R148 HydrophobicContact CG-CG 4.35Å; E144-R148 WeakPolarHBondContact O-CB 3.4Å; E144-R148 VanDerWaalsContact O-CG 3.27Å; E144-R148 WeakPolarHBondContact O-CG 3.3Å; E144-R148 PolarHBondContact O-N 3.35Å; E144-R148 IonicContact OE1-CZ 3.71Å; E144-R148 IonicContact OE1-NE 2.84Å; E144-R148 PolarHBondContact OE1-NE 3.44Å; E144-R148 IonicContact OE1-NH2 3.07Å; E144-R148 PolarHBondContact OE1-NH2 3.13Å; E144-R148 IonicContact OE2-NH2 3.1Å |
| 145 | S | 78.3 | Confident | 76.9 | Confident | 82 Ų | 82 | 63.4 Ų | 63.4 | 57% | 0.573 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.1 | -43.4 | 178.4 | 54.4 | 0 | 0 | 0 | 0 | 112.8 | G143 A149 | G143-S145 VanDerWaalsContact C-N 3.25Å; G143-S145 PolarHBondContact O-N 2.99Å; S145-A149 WeakPolarHBondContact O-CB 3.21Å; S145-A149 PolarHBondContact O-N 2.83Å |
| 146 | W | 80.5 | Confident | 77.2 | Confident | 163 Ų | 163 | 59.2 Ų | 59.2 | 62% | 0.617 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -68.7 | -38 | 176.9 | -73.1 | 109.8 | 0 | 0 | 0 | 112 | L141 G143 E144 A149 L150 | L141-W146 HydrophobicContact CB-CB 4.43Å; L141-W146 HydrophobicContact CD2-CB 4.38Å; G143-W146 PolarHBondContact O-N 2.71Å; E144-W146 PolarHBondContact O-N 3.45Å; W146-A149 PolarHBondContact O-N 3.1Å; W146-L150 PolarHBondContact O-N 3.34Å |
| 147 | I | 76.1 | Confident | 77.8 | Confident | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68 | -43.6 | 177 | -58.8 | 165.7 | 0 | 0 | 0 | 110.3 | L118 L123 T127 V129 G143 E144 A149 L150 V151 | L118-I147 HydrophobicContact CD1-CG2 4.01Å; L123-I147 HydrophobicContact CD1-CB 4.28Å; L123-I147 HydrophobicContact CD1-CG2 3.54Å; L123-I147 HydrophobicContact CD2-CD1 4.4Å; L123-I147 HydrophobicContact CD2-CG2 4.26Å; T127-I147 WeakPolarHBondContact O-CD1 3.07Å; V129-I147 HydrophobicContact CB-CG1 4.26Å; V129-I147 HydrophobicContact CG2-CB 4.45Å; V129-I147 HydrophobicContact CG2-CD1 3.67Å; V129-I147 HydrophobicContact CG2-CG1 3.68Å; V129-I147 HydrophobicContact CG2-CG2 3.91Å; G143-I147 WeakPolarHBondContact O-CG1 3.34Å; G143-I147 PolarHBondContact O-N 2.95Å; E144-I147 PolarHBondContact O-N 3.2Å; I147-A149 VanDerWaalsContact C-N 3.35Å; I147-A149 PolarHBondContact O-N 2.93Å; I147-L150 WeakPolarHBondContact O-CB 3.39Å; I147-L150 PolarHBondContact O-N 2.8Å; I147-V151 PolarHBondContact O-N 3.12Å |
| 148 | R | 77.1 | Confident | 78.2 | Confident | 91 Ų | 91 | 59.7 Ų | 59.7 | 34% | 0.343 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.5 | -46.8 | 171.8 | -76.1 | 171.9 | 179.4 | -146.2 | 6.1 | 111.2 | L118 E144 L150 V151 V152 | L118-R148 HydrophobicContact CD1-CB 4.12Å; L118-R148 HydrophobicContact CD1-CG 3.55Å; E144-R148 HydrophobicContact CG-CG 4.35Å; E144-R148 WeakPolarHBondContact O-CB 3.4Å; E144-R148 VanDerWaalsContact O-CG 3.27Å; E144-R148 WeakPolarHBondContact O-CG 3.3Å; E144-R148 PolarHBondContact O-N 3.35Å; E144-R148 IonicContact OE1-CZ 3.71Å; E144-R148 IonicContact OE1-NE 2.84Å; E144-R148 PolarHBondContact OE1-NE 3.44Å; E144-R148 IonicContact OE1-NH2 3.07Å; E144-R148 PolarHBondContact OE1-NH2 3.13Å; E144-R148 IonicContact OE2-NH2 3.1Å; R148-L150 VanDerWaalsContact C-N 3.31Å; R148-L150 PolarHBondContact O-N 2.58Å; R148-V151 PolarHBondContact O-N 2.88Å; R148-V152 VanDerWaalsContact O-CG2 3.23Å; R148-V152 WeakPolarHBondContact O-CG2 3.43Å; R148-V152 PolarHBondContact O-N 2.86Å |
| 149 | A | 73.2 | Confident | 78.1 | Confident | 50 Ų | 50 | 57.4 Ų | 57.4 | 41% | 0.413 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60 | -40.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S145 W146 I147 V152 A153 | S145-A149 WeakPolarHBondContact O-CB 3.21Å; S145-A149 PolarHBondContact O-N 2.83Å; W146-A149 PolarHBondContact O-N 3.1Å; I147-A149 VanDerWaalsContact C-N 3.35Å; I147-A149 PolarHBondContact O-N 2.93Å; A149-V152 PolarHBondContact O-N 2.87Å; A149-A153 VanDerWaalsContact O-CB 3.25Å; A149-A153 WeakPolarHBondContact O-CB 3.36Å; A149-A153 PolarHBondContact O-N 2.87Å |
| 150 | L | 78.7 | Confident | 78.1 | Confident | 48 Ų | 48 | 63.7 Ų | 63.7 | 25% | 0.251 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 174.5 | -178.1 | 71.2 | 0 | 0 | 0 | 111.5 | V129 L141 W146 I147 R148 A153 S154 | V129-L150 HydrophobicContact CG1-CD2 4.45Å; L141-L150 HydrophobicContact CD1-CB 3.95Å; L141-L150 HydrophobicContact CD1-CD1 4.38Å; L141-L150 HydrophobicContact CD1-CD2 3.72Å; L141-L150 HydrophobicContact CD1-CG 4.22Å; W146-L150 PolarHBondContact O-N 3.34Å; I147-L150 WeakPolarHBondContact O-CB 3.39Å; I147-L150 PolarHBondContact O-N 2.8Å; R148-L150 VanDerWaalsContact C-N 3.31Å; R148-L150 PolarHBondContact O-N 2.58Å; L150-A153 PolarHBondContact O-N 2.92Å; L150-S154 WeakPolarHBondContact O-CB 3.33Å; L150-S154 PolarHBondContact O-N 3.07Å; L150-S154 PolarHBondContact O-OG 2.88Å |
| 151 | V | 77.1 | Confident | 77.6 | Confident | 19 Ų | 19 | 63.6 Ų | 63.6 | 12% | 0.115 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62 | -46.3 | 178.4 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | F109 L118 I147 R148 A153 S154 R155 | F109-V151 HydrophobicContact CE2-CG1 3.76Å; F109-V151 HydrophobicContact CE2-CG2 4.43Å; F109-V151 HydrophobicContact CZ-CG1 4.01Å; L118-V151 HydrophobicContact CD1-CB 4.23Å; L118-V151 HydrophobicContact CD1-CG2 3.8Å; L118-V151 HydrophobicContact CD2-CG2 3.91Å; L118-V151 HydrophobicContact CG-CG2 3.98Å; I147-V151 PolarHBondContact O-N 3.12Å; R148-V151 PolarHBondContact O-N 2.88Å; V151-A153 PolarHBondContact O-N 2.81Å; V151-S154 WeakPolarHBondContact O-CB 3.33Å; V151-S154 PolarHBondContact O-N 2.92Å; V151-R155 WeakPolarHBondContact O-CG 3.38Å; V151-R155 PolarHBondContact O-N 3.39Å |
| 152 | V | 73.5 | Confident | 77.3 | Confident | 37 Ų | 37 | 63 Ų | 63 | 22% | 0.224 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.2 | -48.2 | 176 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | L114 F115 R148 A149 S154 R155 A156 | L114-V152 WeakPolarHBondContact O-CG2 3.43Å; F115-V152 HydrophobicContact CD1-CG1 4.13Å; F115-V152 HydrophobicContact CD1-CG2 4.19Å; F115-V152 HydrophobicContact CE1-CG1 3.89Å; R148-V152 VanDerWaalsContact O-CG2 3.23Å; R148-V152 WeakPolarHBondContact O-CG2 3.43Å; R148-V152 PolarHBondContact O-N 2.86Å; A149-V152 PolarHBondContact O-N 2.87Å; V152-S154 VanDerWaalsContact C-N 3.3Å; V152-S154 PolarHBondContact O-N 3.4Å; V152-R155 PolarHBondContact O-N 2.91Å; V152-A156 WeakPolarHBondContact O-CB 3.38Å; V152-A156 PolarHBondContact O-N 3.13Å |
| 153 | A | 74.8 | Confident | 76.8 | Confident | 56 Ų | 56 | 63.9 Ų | 63.9 | 46% | 0.463 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A149 L150 V151 A156 Y157 | A149-A153 VanDerWaalsContact O-CB 3.25Å; A149-A153 WeakPolarHBondContact O-CB 3.36Å; A149-A153 PolarHBondContact O-N 2.87Å; L150-A153 PolarHBondContact O-N 2.92Å; V151-A153 PolarHBondContact O-N 2.81Å; A153-A156 PolarHBondContact O-N 3.48Å; A153-Y157 VanDerWaalsContact O-CB 3.24Å; A153-Y157 WeakPolarHBondContact O-CB 3.42Å; A153-Y157 PolarHBondContact O-N 2.83Å |
| 154 | S | 79.4 | Confident | 76.6 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 24% | 0.238 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.6 | -49.9 | 176.1 | -54.6 | 0 | 0 | 0 | 0 | 111 | L150 V151 V152 A156 Y157 F158 | L150-S154 WeakPolarHBondContact O-CB 3.33Å; L150-S154 PolarHBondContact O-N 3.07Å; L150-S154 PolarHBondContact O-OG 2.88Å; V151-S154 WeakPolarHBondContact O-CB 3.33Å; V151-S154 PolarHBondContact O-N 2.92Å; V152-S154 VanDerWaalsContact C-N 3.3Å; V152-S154 PolarHBondContact O-N 3.4Å; S154-A156 VanDerWaalsContact C-N 3.32Å; S154-A156 PolarHBondContact O-N 2.65Å; S154-Y157 PolarHBondContact O-N 3.03Å; S154-F158 WeakPolarHBondContact O-CD2 3.33Å; S154-F158 PolarHBondContact O-N 2.87Å; S154-F158 VanDerWaalsContact O-N 3.09Å |
| 155 | R | 77.7 | Confident | 76.7 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 2% | 0.019 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 176.3 | -70.3 | 178.9 | 173.4 | 145.8 | 5.5 | 110.9 | F109 T113 L114 N116 V151 V152 S159 R165 | F109-R155 HydrophobicContact CD1-CG 4.42Å; F109-R155 HydrophobicContact CE1-CG 3.73Å; F109-R155 HydrophobicContact CZ-CG 3.89Å; F109-R155 PolarHBondContact O-NE 3.4Å; F109-R155 PolarHBondContact O-NH2 2.9Å; T113-R155 PolarHBondContact O-NH1 3.46Å; L114-R155 HydrophobicContact CD2-CB 3.65Å; L114-R155 PolarHBondContact O-NH1 3.24Å; N116-R155 PolarHBondContact O-NH1 2.9Å; N116-R155 VanDerWaalsContact O-NH1 3.15Å; V151-R155 WeakPolarHBondContact O-CG 3.38Å; V151-R155 PolarHBondContact O-N 3.39Å; V152-R155 PolarHBondContact O-N 2.91Å; R155-S159 WeakPolarHBondContact O-CB 3.25Å; R155-S159 PolarHBondContact O-N 3.31Å; R155-S159 PolarHBondContact O-OG 2.93Å; R155-R165 PolarHBondContact O-NH1 3.17Å |
| 156 | A | 72.9 | Confident | 76.8 | Confident | 34 Ų | 34 | 61.7 Ų | 61.7 | 28% | 0.281 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V152 A153 S154 F158 S159 L160 | V152-A156 WeakPolarHBondContact O-CB 3.38Å; V152-A156 PolarHBondContact O-N 3.13Å; A153-A156 PolarHBondContact O-N 3.48Å; S154-A156 VanDerWaalsContact C-N 3.32Å; S154-A156 PolarHBondContact O-N 2.65Å; A156-F158 PolarHBondContact O-N 3.34Å; A156-S159 WeakPolarHBondContact O-CB 3.46Å; A156-S159 PolarHBondContact O-N 2.88Å; A156-S159 VanDerWaalsContact O-N 3.13Å; A156-L160 WeakPolarHBondContact O-CG 3.45Å; A156-L160 PolarHBondContact O-N 2.87Å; A156-L160 VanDerWaalsContact O-N 3.08Å |
| 157 | Y | 79 | Confident | 76.8 | Confident | 80 Ų | 80 | 54.4 Ų | 54.4 | 31% | 0.314 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.7 | -46.5 | 178.8 | 174.2 | -91.5 | 0 | 0 | 0 | 112.5 | A153 S154 R161 R216 | A153-Y157 VanDerWaalsContact O-CB 3.24Å; A153-Y157 WeakPolarHBondContact O-CB 3.42Å; A153-Y157 PolarHBondContact O-N 2.83Å; S154-Y157 PolarHBondContact O-N 3.03Å; Y157-R161 VanDerWaalsContact CE2-NE 3.34Å; Y157-R161 PolarHBondContact OH-NH1 3.18Å; Y157-R216 PolarHBondContact OH-NH1 3.31Å |
| 158 | F | 79.1 | Confident | 76.8 | Confident | 13 Ų | 13 | 54.7 Ų | 54.7 | 6% | 0.057 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -74.1 | -30.1 | 177.6 | -67.5 | -64.2 | 0 | 0 | 0 | 112.6 | F110 S154 A156 L160 R161 S162 I187 L189 | F110-F158 HydrophobicContact CE1-CB 3.77Å; F110-F158 AromaticContact CE1-CD2 3.84Å; F110-F158 HydrophobicContact CE1-CD2 3.84Å; F110-F158 HydrophobicContact CE1-CG 4.11Å; F110-F158 HydrophobicContact CZ-CB 4.12Å; F110-F158 AromaticContact CZ-CD2 3.78Å; F110-F158 HydrophobicContact CZ-CD2 3.78Å; F110-F158 HydrophobicContact CZ-CE2 4.47Å; F110-F158 HydrophobicContact CZ-CG 4.06Å; S154-F158 WeakPolarHBondContact O-CD2 3.33Å; S154-F158 PolarHBondContact O-N 2.87Å; S154-F158 VanDerWaalsContact O-N 3.09Å; A156-F158 PolarHBondContact O-N 3.34Å; F158-L160 VanDerWaalsContact C-N 3.27Å; F158-L160 PolarHBondContact O-N 3.36Å; F158-R161 PolarHBondContact O-N 2.79Å; F158-S162 PolarHBondContact O-N 2.78Å; F158-S162 PolarHBondContact O-OG 3.12Å; F158-I187 HydrophobicContact CD1-CG2 4.23Å; F158-I187 HydrophobicContact CD2-CD1 4.34Å; F158-I187 HydrophobicContact CE1-CG2 4.06Å; F158-I187 HydrophobicContact CE2-CD1 3.58Å; F158-I187 HydrophobicContact CZ-CD1 3.68Å; F158-I187 HydrophobicContact CZ-CG2 4.22Å; F158-L189 HydrophobicContact CB-CD2 4.34Å; F158-L189 HydrophobicContact CD1-CD1 3.96Å; F158-L189 HydrophobicContact CD1-CD2 3.57Å; F158-L189 HydrophobicContact CD1-CG 4.36Å; F158-L189 HydrophobicContact CE1-CD1 4.06Å; F158-L189 HydrophobicContact CE1-CD2 4.24Å; F158-L189 HydrophobicContact CG-CD2 4.26Å |
| 159 | S | 75.6 | Confident | 76.6 | Confident | 40 Ų | 40 | 52.5 Ų | 52.5 | 28% | 0.28 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.2 | -40 | 173.3 | -52.8 | 0 | 0 | 0 | 0 | 112 | R155 A156 R161 R165 | R155-S159 WeakPolarHBondContact O-CB 3.25Å; R155-S159 PolarHBondContact O-N 3.31Å; R155-S159 PolarHBondContact O-OG 2.93Å; A156-S159 WeakPolarHBondContact O-CB 3.46Å; A156-S159 PolarHBondContact O-N 2.88Å; A156-S159 VanDerWaalsContact O-N 3.13Å; S159-R161 VanDerWaalsContact C-N 3.34Å; S159-R165 VanDerWaalsContact CB-NH2 3.35Å; S159-R165 PolarHBondContact OG-NH1 3.03Å; S159-R165 PolarHBondContact OG-NH2 3.03Å |
| 160 | L | 77.2 | Confident | 76.5 | Confident | 153 Ų | 153 | 53.6 Ų | 53.6 | 80% | 0.801 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -77.7 | -19.5 | -175.6 | -70 | 168.9 | 0 | 0 | 0 | 113.4 | A156 F158 | A156-L160 WeakPolarHBondContact O-CG 3.45Å; A156-L160 PolarHBondContact O-N 2.87Å; A156-L160 VanDerWaalsContact O-N 3.08Å; F158-L160 VanDerWaalsContact C-N 3.27Å; F158-L160 PolarHBondContact O-N 3.36Å |
| 161 | R | 77.4 | Confident | 76.1 | Confident | 151 Ų | 151 | 53.1 Ų | 53.1 | 57% | 0.57 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -105.9 | -14.4 | -170.8 | -73 | -173 | 176.4 | -147.1 | 1.2 | 115.1 | Y157 F158 S159 | Y157-R161 VanDerWaalsContact CE2-NE 3.34Å; Y157-R161 PolarHBondContact OH-NH1 3.18Å; F158-R161 PolarHBondContact O-N 2.79Å; S159-R161 VanDerWaalsContact C-N 3.34Å |
| 162 | S | 75 | Confident | 75.9 | Confident | 13 Ų | 13 | 52.9 Ų | 52.9 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | trans | -135.7 | 144.8 | -171.3 | 60.8 | 0 | 0 | 0 | 0 | 110.8 | F158 G164 | F158-S162 PolarHBondContact O-N 2.78Å; F158-S162 PolarHBondContact O-OG 3.12Å; S162-G164 WeakPolarHBondContact CB-O 3.35Å; S162-G164 PolarHBondContact OG-O 3.06Å | ||
| 163 | Y | 73.2 | Confident | 75.8 | Confident | 154 Ų | 154 | 55.8 Ų | 55.8 | 60% | 0.604 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -76.1 | -43 | 174.3 | 175.4 | -99.7 | 0 | 0 | 0 | 110.5 | L190 L209 | Y163-L190 PolarHBondContact N-O 3.18Å; Y163-L209 HydrophobicContact CD1-CD1 4.17Å; Y163-L209 HydrophobicContact CE1-CD1 4.4Å |
| 164 | G | 73.6 | Confident | 75.8 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 153.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | S162 L190 | S162-G164 WeakPolarHBondContact CB-O 3.35Å; S162-G164 PolarHBondContact OG-O 3.06Å; G164-L190 PolarHBondContact N-O 3Å; G164-L190 WeakPolarHBondContact O-CB 3.21Å; G164-L190 PolarHBondContact O-N 3.09Å |
| 165 | R | 81.6 | Confident | 75.5 | Confident | 80 Ų | 80 | 55.4 Ų | 55.4 | 30% | 0.302 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 144.1 | -178.4 | 58.8 | -156.8 | 155.2 | 140.8 | -8.6 | 110.7 | F110 R155 S159 V188 L189 | F110-R165 HydrophobicContact CB-CG 4.11Å; F110-R165 HydrophobicContact CD1-CG 4.06Å; F110-R165 HydrophobicContact CD2-CB 4.35Å; F110-R165 HydrophobicContact CD2-CG 4.14Å; F110-R165 HydrophobicContact CE2-CB 4.47Å; F110-R165 HydrophobicContact CG-CG 3.84Å; R155-R165 PolarHBondContact O-NH1 3.17Å; S159-R165 VanDerWaalsContact CB-NH2 3.35Å; S159-R165 PolarHBondContact OG-NH1 3.03Å; S159-R165 PolarHBondContact OG-NH2 3.03Å; R165-V188 VanDerWaalsContact CA-O 3.22Å; R165-V188 WeakPolarHBondContact CA-O 3.22Å; R165-L189 HydrophobicContact CB-CD2 4.1Å |
| 166 | R | 79.2 | Confident | 75.3 | Confident | 50 Ų | 50 | 58.4 Ų | 58.4 | 19% | 0.189 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 154.6 | 174.4 | 59.6 | -170.5 | -168 | -152.4 | 9.7 | 109.8 | E168 V188 E210 N252 | R166-E168 HydrophobicContact CG-CG 4.32Å; R166-E168 IonicContact CZ-OE1 3.34Å; R166-E168 IonicContact NE-OE1 3.41Å; R166-E168 PolarHBondContact NE-OE1 3.37Å; R166-E168 IonicContact NH2-OE1 2.68Å; R166-E168 PolarHBondContact NH2-OE1 2.74Å; R166-V188 HydrophobicContact CG-CB 3.92Å; R166-V188 HydrophobicContact CG-CG2 4.45Å; R166-V188 PolarHBondContact N-O 2.9Å; R166-V188 PolarHBondContact O-N 3.5Å; R166-E210 IonicContact CZ-OE1 2.85Å; R166-E210 IonicContact NH1-OE1 3.6Å; R166-E210 PolarHBondContact NH1-OE1 2.88Å; R166-E210 IonicContact NH2-OE1 2.81Å; R166-E210 PolarHBondContact NH2-OE1 3.03Å; R166-N252 PolarHBondContact NH1-OD1 3.19Å; R166-N252 PolarHBondContact NH2-OD1 3.3Å |
| 167 | L | 81.2 | Confident | 75.2 | Confident | 10 Ų | 10 | 63.4 Ų | 63.4 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 123.7 | 172.7 | -169.7 | 158.7 | 0 | 0 | 0 | 107.1 | L106 F109 F110 F185 | L106-L167 HydrophobicContact CB-CD2 4.41Å; L106-L167 HydrophobicContact CD1-CD1 4.19Å; L106-L167 HydrophobicContact CD2-CD2 3.81Å; L106-L167 HydrophobicContact CG-CD1 3.94Å; L106-L167 HydrophobicContact CG-CD2 3.63Å; L106-L167 HydrophobicContact CG-CG 4.46Å; F109-L167 HydrophobicContact CB-CB 4.49Å; F109-L167 HydrophobicContact CB-CD1 3.86Å; F109-L167 HydrophobicContact CD1-CD1 4.44Å; F109-L167 HydrophobicContact CG-CD1 4.17Å; F110-L167 HydrophobicContact CD2-CB 4.23Å; F110-L167 HydrophobicContact CE2-CB 4.16Å; L167-F185 HydrophobicContact CD1-CD2 3.82Å; L167-F185 HydrophobicContact CD1-CE2 4.04Å; L167-F185 HydrophobicContact CD2-CB 3.82Å; L167-F185 HydrophobicContact CD2-CD2 4.03Å; L167-F185 HydrophobicContact CD2-CG 4.17Å; L167-F185 HydrophobicContact CG-CD2 3.87Å |
| 168 | E | 76 | Confident | 75 | Confident | 13 Ų | 13 | 67.7 Ų | 67.7 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126.5 | 177.8 | -62.2 | 179.1 | -164 | 0 | 0 | 109.8 | R166 F185 R186 V188 | R166-E168 HydrophobicContact CG-CG 4.32Å; R166-E168 IonicContact CZ-OE1 3.34Å; R166-E168 IonicContact NE-OE1 3.41Å; R166-E168 PolarHBondContact NE-OE1 3.37Å; R166-E168 IonicContact NH2-OE1 2.68Å; R166-E168 PolarHBondContact NH2-OE1 2.74Å; E168-F185 CarbonylContact O-C 3.47Å; E168-F185 VanDerWaalsContact O-CA 3.24Å; E168-F185 WeakPolarHBondContact O-CA 3.25Å; E168-F185 WeakPolarHBondContact O-CB 3.12Å; E168-R186 HydrophobicContact CB-CG 3.75Å; E168-R186 PolarHBondContact N-O 3.11Å; E168-R186 PolarHBondContact O-N 3.33Å; E168-R186 IonicContact OE2-CZ 3.47Å; E168-R186 IonicContact OE2-NE 2.72Å; E168-R186 PolarHBondContact OE2-NE 2.93Å; E168-R186 IonicContact OE2-NH2 3.67Å; E168-R186 PolarHBondContact OE2-NH2 3.06Å; E168-V188 HydrophobicContact CG-CG2 4.29Å |
| 169 | L | 73.7 | Confident | 75.1 | Confident | 45 Ų | 45 | 68.9 Ų | 68.9 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 126.1 | 174.7 | -171.5 | 78.6 | 0 | 0 | 0 | 109.1 | I102 E103 L106 I172 V183 | I102-L169 HydrophobicContact CG2-CD1 4.17Å; E103-L169 HydrophobicContact CG-CD2 4.15Å; L106-L169 HydrophobicContact CD2-CD1 3.99Å; L169-I172 HydrophobicContact CD1-CD1 4.11Å; L169-I172 HydrophobicContact CD1-CG1 3.88Å; L169-I172 HydrophobicContact CD2-CD1 3.51Å; L169-I172 HydrophobicContact CD2-CG1 3.82Å; L169-I172 HydrophobicContact CG-CD1 4.31Å; L169-I172 HydrophobicContact CG-CG1 4.14Å; L169-V183 HydrophobicContact CD1-CG1 3.37Å |
| 170 | T | 71.1 | Confident | 75.5 | Confident | 73 Ų | 73 | 69.1 Ų | 69.1 | 45% | 0.448 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -38.1 | -179.4 | 59.4 | 0 | 0 | 0 | 0 | 112.3 | C184 R186 | T170-C184 PolarHBondContact N-O 3.43Å; T170-C184 WeakPolarHBondContact OG1-CB 3.31Å; T170-C184 PolarHBondContact OG1-O 3.28Å; T170-R186 HydrophobicContact CG2-CB 4.43Å; T170-R186 HydrophobicContact CG2-CG 4.13Å |
| 171 | S | 70.7 | Confident | 75.7 | Confident | 38 Ų | 38 | 61.9 Ų | 61.9 | 27% | 0.266 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 149.2 | 175.5 | 65.5 | 0 | 0 | 0 | 0 | 111 | V183 C184 | S171-V183 WeakPolarHBondContact O-CA 3.42Å; S171-C184 PolarHBondContact N-O 2.77Å; S171-C184 PolarHBondContact O-N 3.24Å; S171-C184 WeakPolarHBondContact OG-CB 3.21Å |
| 172 | I | 72.8 | Confident | 75.9 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 8% | 0.077 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 126.9 | 164.1 | -61.6 | 174.6 | 0 | 0 | 0 | 106.1 | N99 I102 E103 L169 V181 E182 V183 L270 | N99-I172 WeakPolarHBondContact OD1-CG2 3.46Å; I102-I172 HydrophobicContact CB-CD1 4.38Å; I102-I172 HydrophobicContact CG2-CD1 3.78Å; I102-I172 HydrophobicContact CG2-CG1 4.32Å; E103-I172 HydrophobicContact CG-CD1 3.38Å; L169-I172 HydrophobicContact CD1-CD1 4.11Å; L169-I172 HydrophobicContact CD1-CG1 3.88Å; L169-I172 HydrophobicContact CD2-CD1 3.51Å; L169-I172 HydrophobicContact CD2-CG1 3.82Å; L169-I172 HydrophobicContact CG-CD1 4.31Å; L169-I172 HydrophobicContact CG-CG1 4.14Å; I172-V181 HydrophobicContact CG2-CG1 3.86Å; I172-E182 CarbonylContact C-O 3.57Å; I172-E182 WeakPolarHBondContact CA-O 3.44Å; I172-V183 HydrophobicContact CG1-CG1 4.32Å; I172-V183 HydrophobicContact CG1-CG2 4.45Å; I172-L270 HydrophobicContact CB-CD1 4.05Å |
| 173 | L | 70.6 | Confident | 76.1 | Confident | 98 Ų | 98 | 57 Ų | 57 | 51% | 0.513 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.3 | 175.4 | -66.3 | 171.1 | 0 | 0 | 0 | 107.5 | V181 E182 | L173-V181 CarbonylContact O-C 3.59Å; L173-V181 WeakPolarHBondContact O-CA 3.46Å; L173-E182 HydrophobicContact CB-CB 4.39Å; L173-E182 PolarHBondContact N-O 3.11Å; L173-E182 PolarHBondContact O-N 3.32Å |
| 174 | S | 74.9 | Confident | 76.5 | Confident | 49 Ų | 49 | 50.5 Ų | 50.5 | 34% | 0.343 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.3 | 177.2 | -58.9 | 0 | 0 | 0 | 0 | 109.5 | N99 | N99-S174 PolarHBondContact ND2-OG 3.5Å; N99-S174 PolarHBondContact OD1-OG 3.26Å; N99-S174 VanDerWaalsContact OD1-OG 3.13Å |
| 175 | D | 73.5 | Confident | 76.8 | Confident | 33 Ų | 33 | 50.5 Ų | 50.5 | 18% | 0.176 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 108.4 | 174.1 | -173.5 | -28.6 | 0 | 0 | 0 | 108.4 | E177 R178 W179 E180 | D175-E177 VanDerWaalsContact C-N 3.33Å; D175-E177 WeakPolarHBondContact OD1-CA 3.42Å; D175-E177 WeakPolarHBondContact OD1-CB 3.29Å; D175-E177 PolarHBondContact OD1-N 2.78Å; D175-R178 HydrophobicContact CB-CB 4.34Å; D175-R178 PolarHBondContact OD1-N 3.29Å; D175-R178 WeakPolarHBondContact OD2-CD 3.32Å; D175-R178 WeakPolarHBondContact OD2-CG 3.17Å; D175-R178 IonicContact OD2-NE 3.77Å; D175-W179 VanDerWaalsContact O-CA 3.23Å; D175-W179 WeakPolarHBondContact O-CA 3.49Å; D175-W179 PolarHBondContact O-N 3.02Å; D175-E180 HydrophobicContact CB-CB 4.43Å; D175-E180 PolarHBondContact N-O 3.15Å; D175-E180 PolarHBondContact O-N 2.81Å; D175-E180 VanDerWaalsContact O-N 3.1Å |
| 176 | T | 73.2 | Confident | 76.8 | Confident | 67 Ų | 67 | 47.6 Ų | 47.6 | 41% | 0.411 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -18.8 | 179.9 | 46.8 | 0 | 0 | 0 | 0 | 113.4 | M92 | M92-T176 HydrophobicContact CE-CG2 3.61Å; M92-T176 HydrophobicContact SD-CG2 3.99Å |
| 177 | E | 71.6 | Confident | 77 | Confident | 139 Ų | 139 | 45.6 Ų | 45.6 | 65% | 0.65 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -44.9 | 177 | -60 | -177.1 | 169.9 | 0 | 0 | 110.4 | D175 | D175-E177 VanDerWaalsContact C-N 3.33Å; D175-E177 WeakPolarHBondContact OD1-CA 3.42Å; D175-E177 WeakPolarHBondContact OD1-CB 3.29Å; D175-E177 PolarHBondContact OD1-N 2.78Å |
| 178 | R | 74.4 | Confident | 77 | Confident | 171 Ų | 171 | 45.2 Ų | 45.2 | 65% | 0.645 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -13 | -179.6 | -60.8 | -174.4 | 178.8 | -169 | -1.1 | 113.8 | D175 E180 | D175-R178 HydrophobicContact CB-CB 4.34Å; D175-R178 PolarHBondContact OD1-N 3.29Å; D175-R178 WeakPolarHBondContact OD2-CD 3.32Å; D175-R178 WeakPolarHBondContact OD2-CG 3.17Å; D175-R178 IonicContact OD2-NE 3.77Å; R178-E180 VanDerWaalsContact C-N 3.34Å; R178-E180 HydrophobicContact CB-CB 4.41Å; R178-E180 HydrophobicContact CB-CG 3.85Å |
| 179 | W | 80.2 | Confident | 77.3 | Confident | 37 Ų | 37 | 45.2 Ų | 45.2 | 14% | 0.14 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 48 | -173.9 | -58.4 | 94.2 | 0 | 0 | 0 | 112.2 | P87 K91 M92 L95 D175 L224 | P87-W179 HydrophobicContact CB-CH2 4.19Å; P87-W179 HydrophobicContact CB-CZ2 4.29Å; K91-W179 VanDerWaalsContact C-CZ3 3.5Å; K91-W179 HydrophobicContact CB-CE3 4.25Å; K91-W179 HydrophobicContact CB-CH2 3.75Å; K91-W179 HydrophobicContact CB-CZ2 4.38Å; K91-W179 HydrophobicContact CB-CZ3 3.71Å; K91-W179 HydrophobicContact CD-CD2 3.48Å; K91-W179 VanDerWaalsContact CD-CD2 3.48Å; K91-W179 HydrophobicContact CD-CE3 3.71Å; K91-W179 HydrophobicContact CD-CG 4Å; K91-W179 HydrophobicContact CD-CH2 3.94Å; K91-W179 HydrophobicContact CD-CZ2 3.78Å; K91-W179 HydrophobicContact CD-CZ3 3.93Å; K91-W179 HydrophobicContact CG-CD2 3.9Å; K91-W179 HydrophobicContact CG-CE3 3.53Å; K91-W179 HydrophobicContact CG-CH2 3.88Å; K91-W179 HydrophobicContact CG-CZ2 4.26Å; K91-W179 HydrophobicContact CG-CZ3 3.53Å; M92-W179 HydrophobicContact CE-CH2 3.37Å; M92-W179 HydrophobicContact CE-CZ2 4.03Å; M92-W179 HydrophobicContact CE-CZ3 3.73Å; M92-W179 HydrophobicContact CG-CH2 3.76Å; M92-W179 HydrophobicContact CG-CZ3 4Å; M92-W179 HydrophobicContact SD-CH2 3.63Å; M92-W179 HydrophobicContact SD-CZ3 3.49Å; M92-W179 WeakPolarHBondContact SD-CZ3 3.34Å; L95-W179 HydrophobicContact CD1-CE3 4.05Å; L95-W179 HydrophobicContact CD1-CZ3 4.48Å; D175-W179 VanDerWaalsContact O-CA 3.23Å; D175-W179 WeakPolarHBondContact O-CA 3.49Å; D175-W179 PolarHBondContact O-N 3.02Å; W179-L224 HydrophobicContact CB-CB 4.03Å; W179-L224 WeakPolarHBondContact O-CB 3.41Å; W179-L224 PolarHBondContact O-N 2.78Å |
| 180 | E | 84.2 | Confident | 77.5 | Confident | 45 Ų | 45 | 43.9 Ų | 43.9 | 21% | 0.21 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 140.3 | -178.2 | -64.4 | 179.2 | -159.7 | 0 | 0 | 110 | D175 R178 T221 F222 Y223 | D175-E180 HydrophobicContact CB-CB 4.43Å; D175-E180 PolarHBondContact N-O 3.15Å; D175-E180 PolarHBondContact O-N 2.81Å; D175-E180 VanDerWaalsContact O-N 3.1Å; R178-E180 VanDerWaalsContact C-N 3.34Å; R178-E180 HydrophobicContact CB-CB 4.41Å; R178-E180 HydrophobicContact CB-CG 3.85Å; E180-T221 HydrophobicContact CB-CG2 4.19Å; E180-F222 CarbonylContact C-O 3.54Å; E180-F222 VanDerWaalsContact CA-O 3.3Å; E180-F222 WeakPolarHBondContact CA-O 3.29Å; E180-Y223 HydrophobicContact CG-CD1 3.54Å; E180-Y223 HydrophobicContact CG-CE1 3.78Å; E180-Y223 HydrophobicContact CG-CG 4.42Å; E180-Y223 WeakPolarHBondContact OE1-CE1 3.44Å; E180-Y223 WeakPolarHBondContact OE2-CE1 3.12Å |
| 181 | V | 82 | Confident | 78.1 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 110.2 | 168.9 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | L95 I98 N99 I102 I172 L173 V183 T221 F222 | L95-V181 HydrophobicContact CD1-CG2 4.45Å; L95-V181 HydrophobicContact CG-CG2 4.1Å; I98-V181 HydrophobicContact CG2-CG2 4.22Å; N99-V181 WeakPolarHBondContact OD1-CG1 3.24Å; I102-V181 HydrophobicContact CD1-CG1 3.83Å; I172-V181 HydrophobicContact CG2-CG1 3.86Å; L173-V181 CarbonylContact O-C 3.59Å; L173-V181 WeakPolarHBondContact O-CA 3.46Å; V181-V183 HydrophobicContact CG1-CG2 4.04Å; V181-T221 CarbonylContact O-C 3.56Å; V181-T221 WeakPolarHBondContact O-CA 3.31Å; V181-F222 HydrophobicContact CB-CB 4.27Å; V181-F222 PolarHBondContact N-O 3.36Å; V181-F222 PolarHBondContact O-N 2.87Å |
| 182 | E | 80.5 | Confident | 78.6 | Confident | 62 Ų | 62 | 43.9 Ų | 43.9 | 29% | 0.29 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 121.3 | 173.9 | -175.9 | 176.8 | 168.2 | 0 | 0 | 110 | I172 L173 R219 | I172-E182 CarbonylContact C-O 3.57Å; I172-E182 WeakPolarHBondContact CA-O 3.44Å; L173-E182 HydrophobicContact CB-CB 4.39Å; L173-E182 PolarHBondContact N-O 3.11Å; L173-E182 PolarHBondContact O-N 3.32Å; E182-R219 HydrophobicContact CG-CG 3.9Å; E182-R219 WeakPolarHBondContact OE1-CD 3.44Å; E182-R219 IonicContact OE1-NH1 2.66Å |
| 183 | V | 79.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 121.1 | 179 | -173.9 | 0 | 0 | 0 | 0 | 109 | I102 L106 L169 S171 I172 V181 F185 R219 A220 F222 | I102-V183 HydrophobicContact CD1-CG2 3.7Å; I102-V183 HydrophobicContact CG1-CG2 4.42Å; I102-V183 HydrophobicContact CG2-CB 4.5Å; I102-V183 HydrophobicContact CG2-CG1 3.9Å; I102-V183 HydrophobicContact CG2-CG2 3.76Å; L106-V183 HydrophobicContact CD2-CG1 3.96Å; L169-V183 HydrophobicContact CD1-CG1 3.37Å; S171-V183 WeakPolarHBondContact O-CA 3.42Å; I172-V183 HydrophobicContact CG1-CG1 4.32Å; I172-V183 HydrophobicContact CG1-CG2 4.45Å; V181-V183 HydrophobicContact CG1-CG2 4.04Å; V183-F185 HydrophobicContact CG1-CD1 4.27Å; V183-R219 CarbonylContact O-C 3.59Å; V183-R219 WeakPolarHBondContact O-CA 3.42Å; V183-A220 PolarHBondContact N-O 2.95Å; V183-A220 PolarHBondContact O-N 2.8Å; V183-F222 HydrophobicContact CB-CE2 4.35Å; V183-F222 HydrophobicContact CG2-CD2 3.99Å; V183-F222 HydrophobicContact CG2-CE2 3.69Å |
| 184 | C | 80.9 | Confident | 79.7 | Confident | 17 Ų | 17 | 42.4 Ų | 42.4 | 12% | 0.115 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 133.3 | 166.6 | -65.9 | 0 | 0 | 0 | 0 | 109.3 | T170 S171 F218 | T170-C184 PolarHBondContact N-O 3.43Å; T170-C184 WeakPolarHBondContact OG1-CB 3.31Å; T170-C184 PolarHBondContact OG1-O 3.28Å; S171-C184 PolarHBondContact N-O 2.77Å; S171-C184 PolarHBondContact O-N 3.24Å; S171-C184 WeakPolarHBondContact OG-CB 3.21Å; C184-F218 WeakPolarHBondContact CA-O 3.39Å |
| 185 | F | 80.6 | Confident | 80 | Confident | 17 Ų | 17 | 45.5 Ų | 45.5 | 8% | 0.075 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 154.9 | 177.9 | 63.8 | -87.8 | 0 | 0 | 0 | 111.1 | L106 L167 E168 V183 I187 F218 A220 L235 | L106-F185 HydrophobicContact CD2-CB 4.09Å; L106-F185 HydrophobicContact CD2-CD1 3.94Å; L106-F185 HydrophobicContact CD2-CG 4.02Å; L167-F185 HydrophobicContact CD1-CD2 3.82Å; L167-F185 HydrophobicContact CD1-CE2 4.04Å; L167-F185 HydrophobicContact CD2-CB 3.82Å; L167-F185 HydrophobicContact CD2-CD2 4.03Å; L167-F185 HydrophobicContact CD2-CG 4.17Å; L167-F185 HydrophobicContact CG-CD2 3.87Å; E168-F185 CarbonylContact O-C 3.47Å; E168-F185 VanDerWaalsContact O-CA 3.24Å; E168-F185 WeakPolarHBondContact O-CA 3.25Å; E168-F185 WeakPolarHBondContact O-CB 3.12Å; V183-F185 HydrophobicContact CG1-CD1 4.27Å; F185-I187 HydrophobicContact CD2-CG1 4.36Å; F185-I187 HydrophobicContact CE2-CD1 4.37Å; F185-I187 HydrophobicContact CE2-CG1 4.27Å; F185-F218 HydrophobicContact CD1-CB 4.23Å; F185-F218 HydrophobicContact CD2-CB 4Å; F185-F218 HydrophobicContact CD2-CD2 4.25Å; F185-F218 HydrophobicContact CE1-CB 3.75Å; F185-F218 HydrophobicContact CE2-CB 3.51Å; F185-F218 AromaticContact CE2-CD2 3.78Å; F185-F218 HydrophobicContact CE2-CD2 3.78Å; F185-F218 AromaticContact CE2-CG 3.85Å; F185-F218 HydrophobicContact CE2-CG 3.85Å; F185-F218 HydrophobicContact CG-CB 4.35Å; F185-F218 HydrophobicContact CZ-CB 3.38Å; F185-F218 HydrophobicContact CZ-CD2 4.43Å; F185-F218 HydrophobicContact CZ-CG 4.02Å; F185-F218 PolarHBondContact N-O 2.77Å; F185-F218 PolarHBondContact O-N 2.82Å; F185-F218 VanDerWaalsContact O-O 3.1Å; F185-A220 HydrophobicContact CE1-CB 3.9Å; F185-L235 HydrophobicContact CE1-CD1 4.12Å; F185-L235 HydrophobicContact CZ-CD1 3.81Å |
| 186 | R | 81.9 | Confident | 80.4 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 7% | 0.072 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 133.3 | 176.9 | 69.3 | -178.8 | -178 | -169.6 | -0.7 | 110.9 | E168 T170 V188 R216 N217 A247 | E168-R186 HydrophobicContact CB-CG 3.75Å; E168-R186 PolarHBondContact N-O 3.11Å; E168-R186 PolarHBondContact O-N 3.33Å; E168-R186 IonicContact OE2-CZ 3.47Å; E168-R186 IonicContact OE2-NE 2.72Å; E168-R186 PolarHBondContact OE2-NE 2.93Å; E168-R186 IonicContact OE2-NH2 3.67Å; E168-R186 PolarHBondContact OE2-NH2 3.06Å; T170-R186 HydrophobicContact CG2-CB 4.43Å; T170-R186 HydrophobicContact CG2-CG 4.13Å; R186-V188 HydrophobicContact CG-CG2 4.13Å; R186-R216 CarbonylContact C-O 3.36Å; R186-R216 WeakPolarHBondContact CA-O 3.21Å; R186-N217 WeakPolarHBondContact CB-OD1 3.37Å; R186-A247 PolarHBondContact NH2-O 2.9Å |
| 187 | I | 83.3 | Confident | 80.6 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 5% | 0.046 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 110.9 | 170.2 | -63.2 | -179.7 | 0 | 0 | 0 | 107 | F110 F158 F185 L189 W215 R216 F218 | F110-I187 HydrophobicContact CE2-CG1 4.38Å; F110-I187 HydrophobicContact CE2-CG2 3.81Å; F110-I187 HydrophobicContact CZ-CD1 4.2Å; F110-I187 HydrophobicContact CZ-CG1 4.45Å; F110-I187 HydrophobicContact CZ-CG2 3.77Å; F158-I187 HydrophobicContact CD1-CG2 4.23Å; F158-I187 HydrophobicContact CD2-CD1 4.34Å; F158-I187 HydrophobicContact CE1-CG2 4.06Å; F158-I187 HydrophobicContact CE2-CD1 3.58Å; F158-I187 HydrophobicContact CZ-CD1 3.68Å; F158-I187 HydrophobicContact CZ-CG2 4.22Å; F185-I187 HydrophobicContact CD2-CG1 4.36Å; F185-I187 HydrophobicContact CE2-CD1 4.37Å; F185-I187 HydrophobicContact CE2-CG1 4.27Å; I187-L189 HydrophobicContact CG2-CD2 3.76Å; I187-L189 HydrophobicContact CG2-CG 4.22Å; I187-W215 WeakPolarHBondContact O-CA 3.35Å; I187-R216 PolarHBondContact N-O 2.61Å; I187-R216 PolarHBondContact O-N 3.41Å; I187-F218 HydrophobicContact CB-CE2 4.1Å; I187-F218 HydrophobicContact CD1-CD2 3.99Å; I187-F218 HydrophobicContact CD1-CE2 3.52Å; I187-F218 HydrophobicContact CD1-CZ 4.22Å; I187-F218 HydrophobicContact CG1-CD2 4Å; I187-F218 HydrophobicContact CG1-CE2 3.79Å |
| 188 | V | 80.4 | Confident | 80.8 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 127.1 | 176.9 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | R165 R166 E168 R186 L190 A213 W215 | R165-V188 VanDerWaalsContact CA-O 3.22Å; R165-V188 WeakPolarHBondContact CA-O 3.22Å; R166-V188 HydrophobicContact CG-CB 3.92Å; R166-V188 HydrophobicContact CG-CG2 4.45Å; R166-V188 PolarHBondContact N-O 2.9Å; R166-V188 PolarHBondContact O-N 3.5Å; E168-V188 HydrophobicContact CG-CG2 4.29Å; R186-V188 HydrophobicContact CG-CG2 4.13Å; V188-L190 HydrophobicContact CG1-CD2 4.48Å; V188-A213 HydrophobicContact CG1-CB 3.98Å; V188-W215 HydrophobicContact CG2-CB 4.27Å |
| 189 | L | 82.2 | Confident | 81.1 | Confident | 13 Ų | 13 | 46.3 Ų | 46.3 | 7% | 0.068 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 113.4 | -179 | -56.6 | 175.8 | 0 | 0 | 0 | 108.7 | F158 R165 I187 A213 Q214 | F158-L189 HydrophobicContact CB-CD2 4.34Å; F158-L189 HydrophobicContact CD1-CD1 3.96Å; F158-L189 HydrophobicContact CD1-CD2 3.57Å; F158-L189 HydrophobicContact CD1-CG 4.36Å; F158-L189 HydrophobicContact CE1-CD1 4.06Å; F158-L189 HydrophobicContact CE1-CD2 4.24Å; F158-L189 HydrophobicContact CG-CD2 4.26Å; R165-L189 HydrophobicContact CB-CD2 4.1Å; I187-L189 HydrophobicContact CG2-CD2 3.76Å; I187-L189 HydrophobicContact CG2-CG 4.22Å; L189-A213 WeakPolarHBondContact O-CA 3.39Å; L189-Q214 WeakPolarHBondContact CA-O 3.18Å; L189-Q214 WeakPolarHBondContact CB-O 3.32Å; L189-Q214 PolarHBondContact N-O 3.42Å; L189-Q214 PolarHBondContact O-N 2.97Å |
| 190 | L | 79.1 | Confident | 81 | Confident | 18 Ų | 18 | 47.4 Ų | 47.4 | 9% | 0.094 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 124.1 | 173.1 | -57.9 | 179.5 | 0 | 0 | 0 | 108.6 | Y163 G164 V188 L206 L209 E210 A213 | Y163-L190 PolarHBondContact N-O 3.18Å; G164-L190 PolarHBondContact N-O 3Å; G164-L190 WeakPolarHBondContact O-CB 3.21Å; G164-L190 PolarHBondContact O-N 3.09Å; V188-L190 HydrophobicContact CG1-CD2 4.48Å; L190-L206 HydrophobicContact CD1-CD1 4.08Å; L190-L209 HydrophobicContact CB-CB 4.48Å; L190-L209 HydrophobicContact CD2-CB 4.35Å; L190-E210 HydrophobicContact CD2-CG 3.99Å; L190-A213 HydrophobicContact CD2-CB 3.91Å |
| 191 | P | 82.3 | Confident | 80.8 | Confident | 33 Ų | 33 | 49.2 Ų | 49.2 | 21% | 0.214 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 163.9 | 177.4 | 29.4 | -34 | 0 | 0 | 0 | 110.8 | L209 R212 | P191-L209 HydrophobicContact CG-CD2 4.19Å; P191-L209 VanDerWaalsContact O-CD2 3.29Å; P191-L209 WeakPolarHBondContact O-CD2 3.38Å; P191-R212 HydrophobicContact CG-CB 3.79Å |
| 192 | S | 82.2 | Confident | 80.5 | Confident | 78 Ų | 78 | 53.9 Ų | 53.9 | 55% | 0.545 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 139.9 | 169.2 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | S194 | S192-S194 PolarHBondContact O-N 3.32Š|
| 193 | P | 82.5 | Confident | 80 | Confident | 38 Ų | 38 | 57.5 Ų | 57.5 | 25% | 0.247 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 137.3 | 176.6 | 27.6 | -34.8 | 0 | 0 | 0 | 109.9 | E197 L205 L209 | P193-E197 HydrophobicContact CB-CB 4.32Å; P193-L205 HydrophobicContact CB-CD1 3.95Å; P193-L209 HydrophobicContact CB-CD2 4.36Å |
| 194 | S | 83.5 | Confident | 79.9 | Confident | 43 Ų | 43 | 63.5 Ų | 63.5 | 30% | 0.301 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 162.8 | 169.3 | 63.6 | 0 | 0 | 0 | 0 | 110.3 | S192 K196 E197 S198 | S192-S194 PolarHBondContact O-N 3.32Å; S194-K196 PolarHBondContact O-N 2.83Å; S194-E197 WeakPolarHBondContact CB-OE2 3.48Å; S194-E197 PolarHBondContact N-OE2 3.03Å; S194-E197 PolarHBondContact O-N 2.91Å; S194-E197 VanDerWaalsContact O-N 3.07Å; S194-E197 WeakPolarHBondContact OG-CB 3.45Å; S194-E197 WeakPolarHBondContact OG-CG 3.3Å; S194-E197 PolarHBondContact OG-N 3.42Å; S194-E197 PolarHBondContact OG-OE2 3.07Å; S194-S198 PolarHBondContact O-N 2.82Å |
| 195 | T | 81.4 | Confident | 79.6 | Confident | 115 Ų | 115 | 64 Ų | 64 | 71% | 0.706 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -41.3 | 175.5 | 48.3 | 0 | 0 | 0 | 0 | 111.9 | S198 H199 | T195-S198 PolarHBondContact O-N 3.31Å; T195-S198 PolarHBondContact O-OG 3.03Å; T195-H199 PolarHBondContact O-CD2 2.92Å; T195-H199 VanDerWaalsContact O-CD2 3.24Å |
| 196 | K | 81 | Confident | 79.3 | Confident | 177 Ų | 177 | 67 Ų | 67 | 77% | 0.77 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -40.6 | 176.7 | -63.5 | -175.9 | 179.5 | -177.6 | 0 | 113.1 | S194 S198 | S194-K196 PolarHBondContact O-N 2.83Å; K196-S198 VanDerWaalsContact C-N 3.35Å |
| 197 | E | 78 | Confident | 78.8 | Confident | 20 Ų | 20 | 71.3 Ų | 71.3 | 9% | 0.093 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -74.1 | -27.3 | -179.6 | -71.4 | 159.2 | 167.5 | 0 | 0 | 112.3 | P193 S194 H199 L200 L205 R212 | P193-E197 HydrophobicContact CB-CB 4.32Å; S194-E197 WeakPolarHBondContact CB-OE2 3.48Å; S194-E197 PolarHBondContact N-OE2 3.03Å; S194-E197 PolarHBondContact O-N 2.91Å; S194-E197 VanDerWaalsContact O-N 3.07Å; S194-E197 WeakPolarHBondContact OG-CB 3.45Å; S194-E197 WeakPolarHBondContact OG-CG 3.3Å; S194-E197 PolarHBondContact OG-N 3.42Å; S194-E197 PolarHBondContact OG-OE2 3.07Å; E197-H199 PolarHBondContact O-N 3.01Å; E197-L200 HydrophobicContact CB-CD1 4.15Å; E197-L200 HydrophobicContact CG-CD1 4.12Å; E197-L200 VanDerWaalsContact O-CB 3.29Å; E197-L200 WeakPolarHBondContact O-CB 3.14Å; E197-L200 WeakPolarHBondContact O-CG 3.48Å; E197-L200 PolarHBondContact O-N 3.44Å; E197-L205 HydrophobicContact CB-CD1 3.82Å; E197-L205 WeakPolarHBondContact O-CD1 3.41Å; E197-R212 IonicContact OE1-CZ 2.73Å; E197-R212 IonicContact OE1-NH1 2.58Å; E197-R212 PolarHBondContact OE1-NH1 3.45Å; E197-R212 IonicContact OE2-CZ 2.99Å; E197-R212 IonicContact OE2-NH1 3.19Å; E197-R212 PolarHBondContact OE2-NH1 3.13Å |
| 198 | S | 75.7 | Confident | 78.4 | Confident | 69 Ų | 69 | 77.2 Ų | 77.2 | 48% | 0.483 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -60 | -19.2 | -179 | 73.6 | 0 | 0 | 0 | 0 | 114.2 | S194 T195 K196 | S194-S198 PolarHBondContact O-N 2.82Å; T195-S198 PolarHBondContact O-N 3.31Å; T195-S198 PolarHBondContact O-OG 3.03Å; K196-S198 VanDerWaalsContact C-N 3.35Å |
| 199 | H | 80.4 | Confident | 78.1 | Confident | 161 Ų | 161 | 77.4 Ų | 77.4 | 75% | 0.745 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -90.3 | -5.2 | 176 | -58.7 | -64.3 | 0 | 0 | 0 | 113.9 | T195 E197 | T195-H199 PolarHBondContact O-CD2 2.92Å; T195-H199 VanDerWaalsContact O-CD2 3.24Å; E197-H199 PolarHBondContact O-N 3.01Å |
| 200 | L | 79 | Confident | 77.9 | Confident | 60 Ų | 60 | 77.8 Ų | 77.8 | 31% | 0.314 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -75.4 | 147.4 | -178.7 | -66.5 | 172.8 | 0 | 0 | 0 | 111.4 | E197 K204 L205 R208 | E197-L200 HydrophobicContact CB-CD1 4.15Å; E197-L200 HydrophobicContact CG-CD1 4.12Å; E197-L200 VanDerWaalsContact O-CB 3.29Å; E197-L200 WeakPolarHBondContact O-CB 3.14Å; E197-L200 WeakPolarHBondContact O-CG 3.48Å; E197-L200 PolarHBondContact O-N 3.44Å; L200-K204 HydrophobicContact CB-CB 4.4Å; L200-L205 HydrophobicContact CB-CB 4.24Å; L200-R208 HydrophobicContact CD1-CG 3.92Å |
| 201 | P | 80.7 | Confident | 77.9 | Confident | 83 Ų | 83 | 82.4 Ų | 82.4 | 54% | 0.539 | 44% | 0.437 | S | S | . | . | trans | -55.7 | 148.1 | 166.6 | -22.8 | 33 | 0 | 0 | 0 | 111.5 | D203 K204 L205 | P201-D203 VanDerWaalsContact C-N 3.31Å; P201-D203 PolarHBondContact O-N 2.99Å; P201-D203 VanDerWaalsContact O-N 3.16Å; P201-K204 PolarHBondContact O-N 3.49Å; P201-K204 VanDerWaalsContact O-N 3.07Å; P201-L205 WeakPolarHBondContact O-CB 3.35Å; P201-L205 PolarHBondContact O-N 3.48Å | ||
| 202 | S | 74 | Confident | 77.8 | Confident | 98 Ų | 98 | 86 Ų | 86 | 69% | 0.685 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -52.4 | -41.3 | -170.6 | -57.5 | 0 | 0 | 0 | 0 | 114.6 | L205 L206 | S202-L205 PolarHBondContact O-N 2.75Å; S202-L206 WeakPolarHBondContact O-CB 3.4Å; S202-L206 PolarHBondContact O-N 3.25Å |
| 203 | D | 71.8 | Confident | 77.6 | Confident | 138 Ų | 138 | 82.3 Ų | 82.3 | 74% | 0.738 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -66.5 | -44.9 | -179.6 | -56.2 | -32.1 | 0 | 0 | 0 | 111.6 | P201 L205 L206 E207 | P201-D203 VanDerWaalsContact C-N 3.31Å; P201-D203 PolarHBondContact O-N 2.99Å; P201-D203 VanDerWaalsContact O-N 3.16Å; D203-L205 VanDerWaalsContact C-N 3.34Å; D203-L206 PolarHBondContact O-N 2.93Å; D203-E207 PolarHBondContact O-N 2.85Å |
| 204 | K | 76.5 | Confident | 77.6 | Confident | 126 Ų | 126 | 86.7 Ų | 86.7 | 55% | 0.548 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.3 | -35.4 | 176 | -67.9 | -172.3 | 178.6 | -178.2 | 0 | 111.7 | L200 P201 R208 | L200-K204 HydrophobicContact CB-CB 4.4Å; P201-K204 PolarHBondContact O-N 3.49Å; P201-K204 VanDerWaalsContact O-N 3.07Å; K204-R208 WeakPolarHBondContact O-CB 3.42Å; K204-R208 WeakPolarHBondContact O-CG 3.24Å; K204-R208 PolarHBondContact O-N 2.96Å |
| 205 | L | 75.1 | Confident | 77.5 | Confident | 28 Ų | 28 | 86.7 Ų | 86.7 | 15% | 0.147 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -63 | -48.2 | 175.3 | -179.6 | 58.1 | 0 | 0 | 0 | 110.3 | P193 E197 L200 P201 S202 D203 R208 L209 | P193-L205 HydrophobicContact CB-CD1 3.95Å; E197-L205 HydrophobicContact CB-CD1 3.82Å; E197-L205 WeakPolarHBondContact O-CD1 3.41Å; L200-L205 HydrophobicContact CB-CB 4.24Å; P201-L205 WeakPolarHBondContact O-CB 3.35Å; P201-L205 PolarHBondContact O-N 3.48Å; S202-L205 PolarHBondContact O-N 2.75Å; D203-L205 VanDerWaalsContact C-N 3.34Å; L205-R208 PolarHBondContact O-N 2.99Å; L205-L209 HydrophobicContact CD1-CD1 4.32Å; L205-L209 HydrophobicContact CD1-CG 4.22Å; L205-L209 HydrophobicContact CG-CD1 4.17Å; L205-L209 HydrophobicContact CG-CG 4.44Å; L205-L209 WeakPolarHBondContact O-CB 3.44Å; L205-L209 VanDerWaalsContact O-CG 3.27Å; L205-L209 WeakPolarHBondContact O-CG 3.35Å; L205-L209 PolarHBondContact O-N 3.45Å |
| 206 | L | 73.3 | Confident | 77.4 | Confident | 80 Ų | 80 | 83.4 Ų | 83.4 | 42% | 0.419 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61 | -48.7 | 179.3 | -178.4 | 62.4 | 0 | 0 | 0 | 111.1 | L190 S202 D203 R208 L209 E210 | L190-L206 HydrophobicContact CD1-CD1 4.08Å; S202-L206 WeakPolarHBondContact O-CB 3.4Å; S202-L206 PolarHBondContact O-N 3.25Å; D203-L206 PolarHBondContact O-N 2.93Å; L206-R208 VanDerWaalsContact C-N 3.29Å; L206-R208 PolarHBondContact O-N 3.42Å; L206-L209 CarbonylContact O-C 3.53Å; L206-L209 PolarHBondContact O-N 2.82Å; L206-L209 VanDerWaalsContact O-N 3.11Å; L206-E210 HydrophobicContact CD1-CG 4.2Å; L206-E210 HydrophobicContact CG-CG 4.37Å; L206-E210 WeakPolarHBondContact O-CB 2.88Å; L206-E210 WeakPolarHBondContact O-CG 3.39Å; L206-E210 PolarHBondContact O-N 3.4Å |
| 207 | E | 73.2 | Confident | 77.4 | Confident | 110 Ų | 110 | 75.6 Ų | 75.6 | 51% | 0.514 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56 | -44.4 | 177.2 | -169.2 | -169.2 | 168.9 | 0 | 0 | 111.6 | D203 E210 Q211 | D203-E207 PolarHBondContact O-N 2.85Å; E207-E210 PolarHBondContact O-N 3.44Å; E207-Q211 VanDerWaalsContact O-CG 3.3Å; E207-Q211 WeakPolarHBondContact O-CG 3.22Å; E207-Q211 PolarHBondContact O-N 3.1Å |
| 208 | R | 74.7 | Confident | 77.7 | Confident | 133 Ų | 133 | 75.8 Ų | 75.8 | 50% | 0.502 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 176.5 | -71.6 | -71.2 | -172.7 | 157.5 | 1.7 | 112.8 | L200 K204 L205 L206 E210 R212 | L200-R208 HydrophobicContact CD1-CG 3.92Å; K204-R208 WeakPolarHBondContact O-CB 3.42Å; K204-R208 WeakPolarHBondContact O-CG 3.24Å; K204-R208 PolarHBondContact O-N 2.96Å; L205-R208 PolarHBondContact O-N 2.99Å; L206-R208 VanDerWaalsContact C-N 3.29Å; L206-R208 PolarHBondContact O-N 3.42Å; R208-E210 VanDerWaalsContact C-N 3.34Å; R208-R212 PolarHBondContact O-N 3.49Å |
| 209 | L | 74.1 | Confident | 78 | Confident | 5 Ų | 5 | 76.5 Ų | 76.5 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.3 | -36.7 | 176 | -70.2 | -177.8 | 0 | 0 | 0 | 111.5 | Y163 L190 P191 P193 L205 L206 R212 A213 | Y163-L209 HydrophobicContact CD1-CD1 4.17Å; Y163-L209 HydrophobicContact CE1-CD1 4.4Å; L190-L209 HydrophobicContact CB-CB 4.48Å; L190-L209 HydrophobicContact CD2-CB 4.35Å; P191-L209 HydrophobicContact CG-CD2 4.19Å; P191-L209 VanDerWaalsContact O-CD2 3.29Å; P191-L209 WeakPolarHBondContact O-CD2 3.38Å; P193-L209 HydrophobicContact CB-CD2 4.36Å; L205-L209 HydrophobicContact CD1-CD1 4.32Å; L205-L209 HydrophobicContact CD1-CG 4.22Å; L205-L209 HydrophobicContact CG-CD1 4.17Å; L205-L209 HydrophobicContact CG-CG 4.44Å; L205-L209 WeakPolarHBondContact O-CB 3.44Å; L205-L209 VanDerWaalsContact O-CG 3.27Å; L205-L209 WeakPolarHBondContact O-CG 3.35Å; L205-L209 PolarHBondContact O-N 3.45Å; L206-L209 CarbonylContact O-C 3.53Å; L206-L209 PolarHBondContact O-N 2.82Å; L206-L209 VanDerWaalsContact O-N 3.11Å; L209-R212 CarbonylContact O-C 3.56Å; L209-R212 PolarHBondContact O-N 3.3Å; L209-A213 PolarHBondContact O-N 3.09Å |
| 210 | E | 77.9 | Confident | 78.3 | Confident | 21 Ų | 21 | 69.1 Ų | 69.1 | 10% | 0.098 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.9 | -40.6 | 176.7 | -74.9 | -175.3 | 158.8 | 0 | 0 | 112.2 | R166 L190 L206 E207 R208 R212 A213 N252 | R166-E210 IonicContact CZ-OE1 2.85Å; R166-E210 IonicContact NH1-OE1 3.6Å; R166-E210 PolarHBondContact NH1-OE1 2.88Å; R166-E210 IonicContact NH2-OE1 2.81Å; R166-E210 PolarHBondContact NH2-OE1 3.03Å; L190-E210 HydrophobicContact CD2-CG 3.99Å; L206-E210 HydrophobicContact CD1-CG 4.2Å; L206-E210 HydrophobicContact CG-CG 4.37Å; L206-E210 WeakPolarHBondContact O-CB 2.88Å; L206-E210 WeakPolarHBondContact O-CG 3.39Å; L206-E210 PolarHBondContact O-N 3.4Å; E207-E210 PolarHBondContact O-N 3.44Å; R208-E210 VanDerWaalsContact C-N 3.34Å; E210-R212 PolarHBondContact O-N 3.36Å; E210-A213 WeakPolarHBondContact O-CB 3.5Å; E210-A213 PolarHBondContact O-N 2.91Å; E210-N252 VanDerWaalsContact CD-ND2 3.34Å; E210-N252 PolarHBondContact OE1-ND2 3.37Å; E210-N252 PolarHBondContact OE1-OD1 3.01Å; E210-N252 VanDerWaalsContact OE1-OD1 3.14Å; E210-N252 PolarHBondContact OE2-ND2 3.08Å |
| 211 | Q | 78.5 | Confident | 78.7 | Confident | 115 Ų | 115 | 66.7 Ų | 66.7 | 54% | 0.537 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.3 | -32.6 | 171.9 | -74.2 | 172.6 | 3.8 | 0 | 0 | 112.3 | E207 | E207-Q211 VanDerWaalsContact O-CG 3.3Å; E207-Q211 WeakPolarHBondContact O-CG 3.22Å; E207-Q211 PolarHBondContact O-N 3.1Å |
| 212 | R | 79.9 | Confident | 79 | Confident | 107 Ų | 107 | 63.6 Ų | 63.6 | 40% | 0.404 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 4.5 | 178 | -67.3 | 175.3 | 50.4 | -163 | -15.2 | 113.4 | P191 E197 R208 L209 E210 | P191-R212 HydrophobicContact CG-CB 3.79Å; E197-R212 IonicContact OE1-CZ 2.73Å; E197-R212 IonicContact OE1-NH1 2.58Å; E197-R212 PolarHBondContact OE1-NH1 3.45Å; E197-R212 IonicContact OE2-CZ 2.99Å; E197-R212 IonicContact OE2-NH1 3.19Å; E197-R212 PolarHBondContact OE2-NH1 3.13Å; R208-R212 PolarHBondContact O-N 3.49Å; L209-R212 CarbonylContact O-C 3.56Å; L209-R212 PolarHBondContact O-N 3.3Å; E210-R212 PolarHBondContact O-N 3.36Å |
| 213 | A | 78.9 | Confident | 79.6 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | trans | -62.4 | 143.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V188 L189 L190 L209 E210 | V188-A213 HydrophobicContact CG1-CB 3.98Å; L189-A213 WeakPolarHBondContact O-CA 3.39Å; L190-A213 HydrophobicContact CD2-CB 3.91Å; L209-A213 PolarHBondContact O-N 3.09Å; E210-A213 WeakPolarHBondContact O-CB 3.5Å; E210-A213 PolarHBondContact O-N 2.91Å | ||
| 214 | Q | 81.4 | Confident | 80.3 | Confident | 131 Ų | 131 | 55.7 Ų | 55.7 | 61% | 0.612 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 135.4 | 167.5 | -65.1 | -175.8 | -0.9 | 0 | 0 | 107.6 | L189 | L189-Q214 WeakPolarHBondContact CA-O 3.18Å; L189-Q214 WeakPolarHBondContact CB-O 3.32Å; L189-Q214 PolarHBondContact N-O 3.42Å; L189-Q214 PolarHBondContact O-N 2.97Å |
| 215 | W | 82.4 | Confident | 80.6 | Confident | 42 Ų | 42 | 50.9 Ų | 50.9 | 16% | 0.159 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 153.2 | 171.4 | 58.6 | 91.5 | 0 | 0 | 0 | 111.2 | I187 V188 K243 | I187-W215 WeakPolarHBondContact O-CA 3.35Å; V188-W215 HydrophobicContact CG2-CB 4.27Å; W215-K243 HydrophobicContact CH2-CB 4.18Å; W215-K243 HydrophobicContact CH2-CD 4.36Å; W215-K243 HydrophobicContact CH2-CG 3.69Å; W215-K243 HydrophobicContact CZ2-CB 4.25Å; W215-K243 HydrophobicContact CZ2-CG 3.78Å |
| 216 | R | 79.6 | Confident | 80.7 | Confident | 46 Ų | 46 | 55.7 Ų | 55.7 | 17% | 0.174 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 127.4 | 171.4 | -64.7 | -175.7 | -175 | 179.4 | 4.7 | 107.9 | Y157 R186 I187 F218 | Y157-R216 PolarHBondContact OH-NH1 3.31Å; R186-R216 CarbonylContact C-O 3.36Å; R186-R216 WeakPolarHBondContact CA-O 3.21Å; I187-R216 PolarHBondContact N-O 2.61Å; I187-R216 PolarHBondContact O-N 3.41Å; R216-F218 HydrophobicContact CB-CD2 4.4Å; R216-F218 HydrophobicContact CB-CE2 3.52Å; R216-F218 HydrophobicContact CB-CZ 3.89Å; R216-F218 WeakPolarHBondContact O-CD2 3.5Å; R216-F218 WeakPolarHBondContact O-CE2 3.44Å |
| 217 | N | 81.2 | Confident | 80.8 | Confident | 14 Ų | 14 | 56.3 Ų | 56.3 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 140.9 | 177.6 | -64.3 | -67.5 | 0 | 0 | 0 | 109.7 | R186 L238 P241 | R186-N217 WeakPolarHBondContact CB-OD1 3.37Å; N217-L238 HydrophobicContact CB-CB 3.88Å; N217-L238 HydrophobicContact CB-CD1 4.25Å; N217-L238 PolarHBondContact O-N 3.2Å; N217-P241 WeakPolarHBondContact ND2-CD 3.42Å; N217-P241 WeakPolarHBondContact ND2-CG 3.48Å |
| 218 | F | 82.5 | Confident | 80.9 | Confident | 23 Ų | 23 | 51.4 Ų | 51.4 | 10% | 0.101 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 149 | 179.4 | -63.4 | -87.1 | 0 | 0 | 0 | 108.3 | C184 F185 I187 R216 L235 T236 Q237 | C184-F218 WeakPolarHBondContact CA-O 3.39Å; F185-F218 HydrophobicContact CD1-CB 4.23Å; F185-F218 HydrophobicContact CD2-CB 4Å; F185-F218 HydrophobicContact CD2-CD2 4.25Å; F185-F218 HydrophobicContact CE1-CB 3.75Å; F185-F218 HydrophobicContact CE2-CB 3.51Å; F185-F218 AromaticContact CE2-CD2 3.78Å; F185-F218 HydrophobicContact CE2-CD2 3.78Å; F185-F218 AromaticContact CE2-CG 3.85Å; F185-F218 HydrophobicContact CE2-CG 3.85Å; F185-F218 HydrophobicContact CG-CB 4.35Å; F185-F218 HydrophobicContact CZ-CB 3.38Å; F185-F218 HydrophobicContact CZ-CD2 4.43Å; F185-F218 HydrophobicContact CZ-CG 4.02Å; F185-F218 PolarHBondContact N-O 2.77Å; F185-F218 PolarHBondContact O-N 2.82Å; F185-F218 VanDerWaalsContact O-O 3.1Å; I187-F218 HydrophobicContact CB-CE2 4.1Å; I187-F218 HydrophobicContact CD1-CD2 3.99Å; I187-F218 HydrophobicContact CD1-CE2 3.52Å; I187-F218 HydrophobicContact CD1-CZ 4.22Å; I187-F218 HydrophobicContact CG1-CD2 4Å; I187-F218 HydrophobicContact CG1-CE2 3.79Å; R216-F218 HydrophobicContact CB-CD2 4.4Å; R216-F218 HydrophobicContact CB-CE2 3.52Å; R216-F218 HydrophobicContact CB-CZ 3.89Å; R216-F218 WeakPolarHBondContact O-CD2 3.5Å; R216-F218 WeakPolarHBondContact O-CE2 3.44Å; F218-L235 HydrophobicContact CB-CD1 4.35Å; F218-T236 WeakPolarHBondContact CA-O 3.18Å; F218-Q237 HydrophobicContact CD1-CB 4.05Å; F218-Q237 HydrophobicContact CD1-CG 4.13Å; F218-Q237 HydrophobicContact CE1-CB 3.94Å; F218-Q237 HydrophobicContact CE1-CG 3.8Å; F218-Q237 HydrophobicContact CZ-CG 4.32Å |
| 219 | R | 83.3 | Confident | 81.3 | Confident | 85 Ų | 85 | 49.6 Ų | 49.6 | 32% | 0.321 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 127.3 | 169.2 | 169.5 | -177.6 | 59.7 | -169.2 | -0.4 | 107.9 | E182 V183 L235 T236 L238 | E182-R219 HydrophobicContact CG-CG 3.9Å; E182-R219 WeakPolarHBondContact OE1-CD 3.44Å; E182-R219 IonicContact OE1-NH1 2.66Å; V183-R219 CarbonylContact O-C 3.59Å; V183-R219 WeakPolarHBondContact O-CA 3.42Å; R219-L235 WeakPolarHBondContact O-CA 3.05Å; R219-T236 WeakPolarHBondContact CB-OG1 3.4Å; R219-T236 PolarHBondContact N-O 3.04Å; R219-T236 PolarHBondContact NE-OG1 3.5Å; R219-T236 PolarHBondContact NH2-OG1 3.01Å; R219-T236 PolarHBondContact O-N 2.89Å; R219-T236 PolarHBondContact O-OG1 3.24Å; R219-L238 HydrophobicContact CB-CD1 4.15Å; R219-L238 HydrophobicContact CB-CD2 4.26Å; R219-L238 HydrophobicContact CB-CG 4.12Å |
| 220 | A | 86.8 | Confident | 81.8 | Confident | 6 Ų | 6 | 49.4 Ų | 49.4 | 5% | 0.05 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109 | V183 F185 F222 K234 L235 | V183-A220 PolarHBondContact N-O 2.95Å; V183-A220 PolarHBondContact O-N 2.8Å; F185-A220 HydrophobicContact CE1-CB 3.9Å; A220-F222 HydrophobicContact CB-CE2 3.94Å; A220-K234 CarbonylContact C-O 3.59Å; A220-K234 VanDerWaalsContact CA-O 3.29Å; A220-K234 WeakPolarHBondContact CA-O 3.4Å; A220-L235 HydrophobicContact CB-CD1 4.15Å |
| 221 | T | 86.4 | Confident | 82.2 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 6% | 0.055 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 120.5 | 172.8 | -49.9 | 0 | 0 | 0 | 0 | 108.7 | E180 V181 Y223 I233 K234 | E180-T221 HydrophobicContact CB-CG2 4.19Å; V181-T221 CarbonylContact O-C 3.56Å; V181-T221 WeakPolarHBondContact O-CA 3.31Å; T221-Y223 HydrophobicContact CG2-CD2 4.38Å; T221-Y223 HydrophobicContact CG2-CE1 4.13Å; T221-Y223 HydrophobicContact CG2-CE2 3.8Å; T221-I233 CarbonylContact O-C 3.49Å; T221-I233 WeakPolarHBondContact O-CA 3.18Å; T221-K234 PolarHBondContact N-O 2.84Å; T221-K234 PolarHBondContact O-N 2.89Å |
| 222 | F | 87.9 | Confident | 82.6 | Confident | 17 Ų | 17 | 47.1 Ų | 47.1 | 8% | 0.075 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 124.1 | 175.5 | -61.9 | -102.6 | 0 | 0 | 0 | 108.5 | I102 E180 V181 V183 A220 I230 I233 | I102-F222 HydrophobicContact CD1-CD2 3.95Å; I102-F222 HydrophobicContact CD1-CE2 3.82Å; I102-F222 HydrophobicContact CD1-CG 4.49Å; I102-F222 HydrophobicContact CD1-CZ 4.22Å; I102-F222 HydrophobicContact CG1-CE2 4.3Å; I102-F222 HydrophobicContact CG1-CZ 4.3Å; E180-F222 CarbonylContact C-O 3.54Å; E180-F222 VanDerWaalsContact CA-O 3.3Å; E180-F222 WeakPolarHBondContact CA-O 3.29Å; V181-F222 HydrophobicContact CB-CB 4.27Å; V181-F222 PolarHBondContact N-O 3.36Å; V181-F222 PolarHBondContact O-N 2.87Å; V183-F222 HydrophobicContact CB-CE2 4.35Å; V183-F222 HydrophobicContact CG2-CD2 3.99Å; V183-F222 HydrophobicContact CG2-CE2 3.69Å; A220-F222 HydrophobicContact CB-CE2 3.94Å; F222-I230 HydrophobicContact CD1-CD1 4.34Å; F222-I230 HydrophobicContact CD1-CG2 4.32Å; F222-I233 HydrophobicContact CD1-CD1 3.72Å; F222-I233 HydrophobicContact CD1-CG1 3.67Å; F222-I233 HydrophobicContact CD1-CG2 4.44Å; F222-I233 HydrophobicContact CE1-CD1 3.57Å; F222-I233 HydrophobicContact CE1-CG1 3.98Å; F222-I233 HydrophobicContact CE1-CG2 4.33Å; F222-I233 HydrophobicContact CG-CG1 4.42Å |
| 223 | Y | 86.8 | Confident | 83 | Confident | 60 Ų | 60 | 42.8 Ų | 42.8 | 24% | 0.235 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 129.7 | 179.7 | -63.4 | -91.7 | 0 | 0 | 0 | 109.2 | E180 T221 I230 N231 A232 K234 | E180-Y223 HydrophobicContact CG-CD1 3.54Å; E180-Y223 HydrophobicContact CG-CE1 3.78Å; E180-Y223 HydrophobicContact CG-CG 4.42Å; E180-Y223 WeakPolarHBondContact OE1-CE1 3.44Å; E180-Y223 WeakPolarHBondContact OE2-CE1 3.12Å; T221-Y223 HydrophobicContact CG2-CD2 4.38Å; T221-Y223 HydrophobicContact CG2-CE1 4.13Å; T221-Y223 HydrophobicContact CG2-CE2 3.8Å; Y223-I230 CarbonylContact O-C 3.58Å; Y223-I230 WeakPolarHBondContact O-CA 3.49Å; Y223-N231 VanDerWaalsContact C-OD1 3.24Å; Y223-N231 WeakPolarHBondContact CB-OD1 3.32Å; Y223-N231 PolarHBondContact O-N 2.85Å; Y223-N231 PolarHBondContact O-OD1 2.9Å; Y223-A232 HydrophobicContact CD2-CB 3.96Å; Y223-A232 HydrophobicContact CG-CB 4.44Å; Y223-A232 PolarHBondContact N-O 3.07Å; Y223-K234 HydrophobicContact CE2-CB 3.85Å |
| 224 | L | 86.1 | Confident | 83.5 | Confident | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 127.9 | 177 | -74.1 | 166.4 | 0 | 0 | 0 | 110.6 | R94 L95 I98 W179 K229 I230 | R94-L224 HydrophobicContact CG-CD2 4.03Å; L95-L224 HydrophobicContact CB-CD1 3.87Å; L95-L224 HydrophobicContact CD1-CD1 4.21Å; L95-L224 HydrophobicContact CG-CD1 4.29Å; I98-L224 HydrophobicContact CD1-CD1 4.17Å; I98-L224 HydrophobicContact CD1-CD2 3.32Å; I98-L224 HydrophobicContact CD1-CG 4.05Å; W179-L224 HydrophobicContact CB-CB 4.03Å; W179-L224 WeakPolarHBondContact O-CB 3.41Å; W179-L224 PolarHBondContact O-N 2.78Å; L224-K229 CarbonylContact C-O 3.57Å; L224-K229 WeakPolarHBondContact CA-O 3.41Å; L224-I230 HydrophobicContact CD2-CG1 4.15Å |
| 225 | S | 83 | Confident | 83.7 | Confident | 25 Ų | 25 | 43.1 Ų | 43.1 | 18% | 0.175 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -67.8 | 165.3 | 168.3 | 63.7 | 0 | 0 | 0 | 0 | 111.3 | K91 S227 G228 K229 | K91-S225 WeakPolarHBondContact CE-O 3.27Å; S225-S227 PolarHBondContact O-N 2.92Å; S225-S227 VanDerWaalsContact O-N 3.12Å; S225-S227 PolarHBondContact OG-OG 3.45Å; S225-G228 PolarHBondContact O-N 3.17Å; S225-K229 PolarHBondContact N-O 3.05Å; S225-K229 PolarHBondContact OG-N 3.17Å; S225-K229 PolarHBondContact OG-O 3.33Å; S225-K229 VanDerWaalsContact OG-O 3.06Å |
| 226 | D | 76.3 | Confident | 83.6 | Confident | 130 Ų | 130 | 41.3 Ų | 41.3 | 70% | 0.695 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -23.5 | 174.5 | -62.1 | -35.7 | 0 | 0 | 0 | 114 | K91 G228 | K91-D226 IonicContact NZ-OD1 3.39Å; K91-D226 PolarHBondContact NZ-OD1 3.07Å; K91-D226 VanDerWaalsContact NZ-OD1 3.07Å; D226-G228 VanDerWaalsContact C-N 3.27Å; D226-G228 PolarHBondContact O-N 2.8Å |
| 227 | S | 75.4 | Confident | 83.5 | Confident | 92 Ų | 92 | 42.7 Ų | 42.7 | 64% | 0.643 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -1 | 172.4 | 55.2 | 0 | 0 | 0 | 0 | 114.6 | S225 | S225-S227 PolarHBondContact O-N 2.92Å; S225-S227 VanDerWaalsContact O-N 3.12Å; S225-S227 PolarHBondContact OG-OG 3.45Å |
| 228 | G | 75.6 | Confident | 82.7 | Confident | 7 Ų | 7 | 44.6 Ų | 44.6 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 73.6 | 24.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R94 S225 D226 | R94-G228 WeakPolarHBondContact CD-O 3.49Å; R94-G228 WeakPolarHBondContact CG-O 3.44Å; R94-G228 PolarHBondContact NE-O 2.62Å; S225-G228 PolarHBondContact O-N 3.17Å; D226-G228 VanDerWaalsContact C-N 3.27Å; D226-G228 PolarHBondContact O-N 2.8Å |
| 229 | K | 83.3 | Confident | 81.4 | Confident | 96 Ų | 96 | 51.1 Ų | 51.1 | 42% | 0.417 | 26% | 0.263 | S | S | . | . | trans | -101.3 | 149.7 | 171.8 | -66.1 | -173.3 | 178.8 | -176.4 | 0 | 110.2 | D124 L224 S225 N231 | D124-K229 HydrophobicContact CB-CB 4.26Å; D124-K229 VanDerWaalsContact OD2-CA 3.27Å; D124-K229 WeakPolarHBondContact OD2-CA 3.34Å; L224-K229 CarbonylContact C-O 3.57Å; L224-K229 WeakPolarHBondContact CA-O 3.41Å; S225-K229 PolarHBondContact N-O 3.05Å; S225-K229 PolarHBondContact OG-N 3.17Å; S225-K229 PolarHBondContact OG-O 3.33Å; S225-K229 VanDerWaalsContact OG-O 3.06Å; K229-N231 PolarHBondContact O-N 2.85Å; K229-N231 VanDerWaalsContact O-N 3.11Å | ||
| 230 | I | 84.7 | Confident | 79.4 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 103.6 | 173.5 | -58 | 169.3 | 0 | 0 | 0 | 107.8 | I98 L122 D124 T127 F222 Y223 L224 I233 | I98-I230 HydrophobicContact CD1-CD1 3.82Å; I98-I230 HydrophobicContact CD1-CG1 3.68Å; I98-I230 HydrophobicContact CG1-CD1 4.2Å; L122-I230 WeakPolarHBondContact O-CD1 3.38Å; D124-I230 PolarHBondContact OD2-N 3.47Å; T127-I230 WeakPolarHBondContact CA-O 3.22Å; T127-I230 WeakPolarHBondContact CB-O 3.11Å; T127-I230 HydrophobicContact CG2-CG2 3.87Å; T127-I230 PolarHBondContact OG1-O 3Å; F222-I230 HydrophobicContact CD1-CD1 4.34Å; F222-I230 HydrophobicContact CD1-CG2 4.32Å; Y223-I230 CarbonylContact O-C 3.58Å; Y223-I230 WeakPolarHBondContact O-CA 3.49Å; L224-I230 HydrophobicContact CD2-CG1 4.15Å; I230-I233 HydrophobicContact CG2-CD1 4.19Å; I230-I233 HydrophobicContact CG2-CG1 3.76Å |
| 231 | N | 86 | Confident | 77.1 | Confident | 73 Ų | 73 | 54.9 Ų | 54.9 | 39% | 0.39 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -35.8 | -178.4 | 59.8 | 8.4 | 0 | 0 | 0 | 111.6 | V128 Y223 K229 | V128-N231 PolarHBondContact N-O 2.73Å; Y223-N231 VanDerWaalsContact C-OD1 3.24Å; Y223-N231 WeakPolarHBondContact CB-OD1 3.32Å; Y223-N231 PolarHBondContact O-N 2.85Å; Y223-N231 PolarHBondContact O-OD1 2.9Å; K229-N231 PolarHBondContact O-N 2.85Å; K229-N231 VanDerWaalsContact O-N 3.11Å |
| 232 | A | 87.9 | Confident | 74.5 | Confident | 14 Ų | 14 | 64.2 Ų | 64.2 | 12% | 0.116 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 149.2 | -176 | 0 | 0 | 0 | 0 | 0 | 111.8 | V128 Y130 Y223 | V128-A232 CarbonylContact O-C 3.59Å; V128-A232 WeakPolarHBondContact O-CA 3.49Å; Y130-A232 HydrophobicContact CD2-CB 4.16Å; Y130-A232 HydrophobicContact CE2-CB 3.83Å; Y223-A232 HydrophobicContact CD2-CB 3.96Å; Y223-A232 HydrophobicContact CG-CB 4.44Å; Y223-A232 PolarHBondContact N-O 3.07Å |
| 233 | I | 88 | Confident | 72 | Confident | 16 Ų | 16 | 70.5 Ų | 70.5 | 8% | 0.082 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 123.2 | 168.7 | -58.8 | 172.7 | 0 | 0 | 0 | 107.5 | L123 T127 V128 V129 Y130 T221 F222 I230 | L123-I233 HydrophobicContact CD2-CD1 3.54Å; T127-I233 HydrophobicContact CG2-CD1 3.84Å; T127-I233 HydrophobicContact CG2-CG1 3.84Å; V128-I233 PolarHBondContact O-N 2.88Å; V129-I233 CarbonylContact C-O 3.57Å; V129-I233 WeakPolarHBondContact CA-O 3.14Å; V129-I233 HydrophobicContact CG2-CB 4.33Å; Y130-I233 PolarHBondContact N-O 3.5Å; T221-I233 CarbonylContact O-C 3.49Å; T221-I233 WeakPolarHBondContact O-CA 3.18Å; F222-I233 HydrophobicContact CD1-CD1 3.72Å; F222-I233 HydrophobicContact CD1-CG1 3.67Å; F222-I233 HydrophobicContact CD1-CG2 4.44Å; F222-I233 HydrophobicContact CE1-CD1 3.57Å; F222-I233 HydrophobicContact CE1-CG1 3.98Å; F222-I233 HydrophobicContact CE1-CG2 4.33Å; F222-I233 HydrophobicContact CG-CG1 4.42Å; I230-I233 HydrophobicContact CG2-CD1 4.19Å; I230-I233 HydrophobicContact CG2-CG1 3.76Å |
| 234 | K | 87.9 | Confident | 69.7 | Low | 89 Ų | 89 | 71.8 Ų | 71.8 | 39% | 0.387 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 113.5 | 176 | -175.4 | 179.4 | 179 | -178.4 | 0 | 110 | Y130 A220 T221 Y223 T236 | Y130-K234 CarbonylContact O-C 3.6Å; Y130-K234 WeakPolarHBondContact O-CA 3.39Å; A220-K234 CarbonylContact C-O 3.59Å; A220-K234 VanDerWaalsContact CA-O 3.29Å; A220-K234 WeakPolarHBondContact CA-O 3.4Å; T221-K234 PolarHBondContact N-O 2.84Å; T221-K234 PolarHBondContact O-N 2.89Å; Y223-K234 HydrophobicContact CE2-CB 3.85Å; K234-T236 HydrophobicContact CG-CG2 4.19Å |
| 235 | L | 86.2 | Confident | 67.4 | Low | 50 Ų | 50 | 76.2 Ų | 76.2 | 26% | 0.262 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 117.9 | 177.1 | -173.5 | 72.1 | 0 | 0 | 0 | 110.3 | Y130 Y131 E132 F185 F218 R219 A220 | Y130-L235 PolarHBondContact O-N 3.19Å; Y131-L235 WeakPolarHBondContact CA-O 3.41Å; E132-L235 PolarHBondContact N-O 3.47Å; F185-L235 HydrophobicContact CE1-CD1 4.12Å; F185-L235 HydrophobicContact CZ-CD1 3.81Å; F218-L235 HydrophobicContact CB-CD1 4.35Å; R219-L235 WeakPolarHBondContact O-CA 3.05Å; A220-L235 HydrophobicContact CB-CD1 4.15Å |
| 236 | T | 80.6 | Confident | 65.4 | Low | 4 Ų | 4 | 78.3 Ų | 78.3 | 3% | 0.025 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 132.9 | 176.7 | 55.5 | 0 | 0 | 0 | 0 | 109.9 | E132 F218 R219 K234 L238 | E132-T236 HydrophobicContact CB-CG2 4.34Å; E132-T236 VanDerWaalsContact OE2-CG2 3.31Å; E132-T236 WeakPolarHBondContact OE2-CG2 3.34Å; F218-T236 WeakPolarHBondContact CA-O 3.18Å; R219-T236 WeakPolarHBondContact CB-OG1 3.4Å; R219-T236 PolarHBondContact N-O 3.04Å; R219-T236 PolarHBondContact NE-OG1 3.5Å; R219-T236 PolarHBondContact NH2-OG1 3.01Å; R219-T236 PolarHBondContact O-N 2.89Å; R219-T236 PolarHBondContact O-OG1 3.24Å; K234-T236 HydrophobicContact CG-CG2 4.19Å; T236-L238 PolarHBondContact O-N 3.39Å |
| 237 | Q | 77.2 | Confident | 63.5 | Low | 76 Ų | 76 | 74.3 Ų | 74.3 | 36% | 0.355 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 117.2 | 171.1 | -172.4 | -175.7 | -19.2 | 0 | 0 | 107.9 | F218 | F218-Q237 HydrophobicContact CD1-CB 4.05Å; F218-Q237 HydrophobicContact CD1-CG 4.13Å; F218-Q237 HydrophobicContact CE1-CB 3.94Å; F218-Q237 HydrophobicContact CE1-CG 3.8Å; F218-Q237 HydrophobicContact CZ-CG 4.32Å |
| 238 | L | 64.4 | Low | 61.7 | Low | 54 Ų | 54 | 71 Ų | 71 | 28% | 0.283 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 133.3 | 172.6 | -63.8 | 172.3 | 0 | 0 | 0 | 108.1 | N217 R219 T236 | N217-L238 HydrophobicContact CB-CB 3.88Å; N217-L238 HydrophobicContact CB-CD1 4.25Å; N217-L238 PolarHBondContact O-N 3.2Å; R219-L238 HydrophobicContact CB-CD1 4.15Å; R219-L238 HydrophobicContact CB-CD2 4.26Å; R219-L238 HydrophobicContact CB-CG 4.12Å; T236-L238 PolarHBondContact O-N 3.39Å |
| 239 | L | 56.7 | Low | 59.9 | Low | 159 Ų | 159 | 77.3 Ų | 77.3 | 83% | 0.832 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 141.7 | 167.6 | -71.1 | 164.8 | 0 | 0 | 0 | 108.2 | P241 | L239-P241 WeakPolarHBondContact O-CD 3.39Å; L239-P241 VanDerWaalsContact O-N 3.14Å |
| 240 | P | 40.1 | Very low | 57.6 | Low | 97 Ų | 97 | 76 Ų | 76 | 63% | 0.63 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 122.5 | -173 | 22.5 | -31.5 | 0 | 0 | 0 | 110.1 | ||
| 241 | P | 38.6 | Very low | 55.5 | Low | 73 Ų | 73 | 78.4 Ų | 78.4 | 47% | 0.474 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 150 | 163.5 | 30.2 | -27.8 | 0 | 0 | 0 | 108.1 | N217 L239 | N217-P241 WeakPolarHBondContact ND2-CD 3.42Å; N217-P241 WeakPolarHBondContact ND2-CG 3.48Å; L239-P241 WeakPolarHBondContact O-CD 3.39Å; L239-P241 VanDerWaalsContact O-N 3.14Å |
| 242 | F | 32.3 | Very low | 53.3 | Low | 205 Ų | 205 | 76.3 Ų | 76.3 | 90% | 0.899 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -46.4 | 140.4 | 179.7 | -82.8 | -99.2 | 0 | 0 | 0 | 112 | D244 | F242-D244 PolarHBondContact O-N 3.08Š|
| 243 | K | 35.9 | Very low | 51 | Low | 150 Ų | 150 | 80.5 Ų | 80.5 | 65% | 0.652 | 43% | 0.428 | S | S | * | . | trans | -68.4 | 89.6 | 177.3 | -79.7 | -172.4 | 167.7 | -173.7 | 0 | 110.4 | W215 | W215-K243 HydrophobicContact CH2-CB 4.18Å; W215-K243 HydrophobicContact CH2-CD 4.36Å; W215-K243 HydrophobicContact CH2-CG 3.69Å; W215-K243 HydrophobicContact CZ2-CB 4.25Å; W215-K243 HydrophobicContact CZ2-CG 3.78Å | ||
| 244 | D | 36.9 | Very low | 48.6 | Very low | 86 Ų | 86 | 82.6 Ų | 82.6 | 46% | 0.46 | 44% | 0.438 | S | S | . | . | trans | -87.1 | 110.9 | 159 | -89.6 | -26.1 | 0 | 0 | 0 | 109.7 | F242 T246 A247 | F242-D244 PolarHBondContact O-N 3.08Å; D244-T246 PolarHBondContact O-N 3.13Å; D244-A247 PolarHBondContact O-N 3.35Å | ||
| 245 | S | 38.7 | Very low | 46.3 | Very low | 103 Ų | 103 | 81 Ų | 81 | 72% | 0.72 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -63.5 | -17.6 | 179.6 | 49.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 246 | T | 40.6 | Very low | 43.9 | Very low | 70 Ų | 70 | 83.3 Ų | 83.3 | 43% | 0.429 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -82 | -16.7 | -179.4 | 51.8 | 0 | 0 | 0 | 0 | 113.5 | D244 L248 H249 S453 | D244-T246 PolarHBondContact O-N 3.13Å; T246-L248 PolarHBondContact O-N 3.32Å; T246-L248 VanDerWaalsContact O-N 3.13Å; T246-H249 PolarHBondContact O-N 3.39Å; T246-S453 PolarHBondContact OG1-OG 2.68Å |
| 247 | A | 36.3 | Very low | 41.7 | Very low | 46 Ų | 46 | 90.2 Ų | 90.2 | 38% | 0.38 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -72.7 | -3.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | R186 D244 | R186-A247 PolarHBondContact NH2-O 2.9Å; D244-A247 PolarHBondContact O-N 3.35Å |
| 248 | L | 38.6 | Very low | 39.7 | Very low | 21 Ų | 21 | 92 Ų | 92 | 11% | 0.11 | 48% | 0.48 | C | S | . | . | G | 310 helix | trans | -96.1 | -20.7 | 179.8 | -71.2 | 162.8 | 0 | 0 | 0 | 112.9 | T246 L251 N252 | T246-L248 PolarHBondContact O-N 3.32Å; T246-L248 VanDerWaalsContact O-N 3.13Å; L248-L251 PolarHBondContact O-N 2.97Å; L248-N252 PolarHBondContact O-N 2.87Å; L248-N252 VanDerWaalsContact O-N 3.17Å |
| 249 | H | 36.1 | Very low | 38.4 | Very low | 141 Ų | 141 | 95 Ų | 95 | 65% | 0.653 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.1 | -42.7 | -172.6 | -129.9 | -38.9 | 0 | 0 | 0 | 114.7 | T246 L251 | T246-H249 PolarHBondContact O-N 3.39Å; H249-L251 VanDerWaalsContact C-N 3.28Å; H249-L251 PolarHBondContact O-N 3.07Å |
| 250 | P | 36.6 | Very low | 37.1 | Very low | 69 Ų | 69 | 93.3 Ų | 93.3 | 45% | 0.448 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.9 | -23.9 | 179.7 | -18.1 | 31 | 0 | 0 | 0 | 113.5 | ||
| 251 | L | 39.5 | Very low | 36.7 | Very low | 50 Ų | 50 | 90 Ų | 90 | 26% | 0.262 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -95.2 | -28.5 | -171.8 | -73.2 | 160.7 | 0 | 0 | 0 | 112.9 | L248 H249 Q253 L254 T255 | L248-L251 PolarHBondContact O-N 2.97Å; H249-L251 VanDerWaalsContact C-N 3.28Å; H249-L251 PolarHBondContact O-N 3.07Å; L251-Q253 VanDerWaalsContact C-N 3.29Å; L251-L254 HydrophobicContact CD2-CD1 4.03Å; L251-L254 PolarHBondContact O-N 3.07Å; L251-T255 PolarHBondContact O-N 3.49Å; L251-T255 PolarHBondContact O-OG1 3.23Å |
| 252 | N | 40.9 | Very low | 36.3 | Very low | 30 Ų | 30 | 92.5 Ų | 92.5 | 16% | 0.16 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -63 | -37.4 | 166 | -81.9 | -4.9 | 0 | 0 | 0 | 111.5 | R166 E210 L248 L254 T255 I256 | R166-N252 PolarHBondContact NH1-OD1 3.19Å; R166-N252 PolarHBondContact NH2-OD1 3.3Å; E210-N252 VanDerWaalsContact CD-ND2 3.34Å; E210-N252 PolarHBondContact OE1-ND2 3.37Å; E210-N252 PolarHBondContact OE1-OD1 3.01Å; E210-N252 VanDerWaalsContact OE1-OD1 3.14Å; E210-N252 PolarHBondContact OE2-ND2 3.08Å; L248-N252 PolarHBondContact O-N 2.87Å; L248-N252 VanDerWaalsContact O-N 3.17Å; N252-L254 VanDerWaalsContact C-N 3.31Å; N252-L254 PolarHBondContact O-N 3.11Å; N252-T255 PolarHBondContact O-N 3.21Å; N252-I256 WeakPolarHBondContact O-CB 3.47Å; N252-I256 WeakPolarHBondContact O-CD1 3.2Å; N252-I256 WeakPolarHBondContact O-CG1 3.09Å; N252-I256 PolarHBondContact O-N 3.01Å |
| 253 | Q | 38.6 | Very low | 36.2 | Very low | 102 Ų | 102 | 88.1 Ų | 88.1 | 48% | 0.477 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.5 | -37.1 | 173.5 | -71.4 | -172.1 | 3.8 | 0 | 0 | 112.4 | L251 R257 | L251-Q253 VanDerWaalsContact C-N 3.29Å; Q253-R257 WeakPolarHBondContact O-CB 3.2Å; Q253-R257 WeakPolarHBondContact O-CD 3.35Å; Q253-R257 WeakPolarHBondContact O-CG 3.44Å; Q253-R257 PolarHBondContact O-N 3.5Å |
| 254 | L | 38.3 | Very low | 35.9 | Very low | 59 Ų | 59 | 85.7 Ų | 85.7 | 31% | 0.309 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72.6 | -37.5 | 178.3 | -78.7 | 162.3 | 0 | 0 | 0 | 112.8 | L251 N252 R257 K258 | L251-L254 HydrophobicContact CD2-CD1 4.03Å; L251-L254 PolarHBondContact O-N 3.07Å; N252-L254 VanDerWaalsContact C-N 3.31Å; N252-L254 PolarHBondContact O-N 3.11Å; L254-R257 PolarHBondContact O-N 3.29Å; L254-K258 WeakPolarHBondContact O-CB 2.85Å; L254-K258 PolarHBondContact O-N 3.48Å |
| 255 | T | 38.8 | Very low | 35.7 | Very low | 57 Ų | 57 | 85.8 Ų | 85.8 | 35% | 0.35 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.2 | -42.8 | 177.1 | -49.6 | 0 | 0 | 0 | 0 | 110.8 | L251 N252 K258 I259 | L251-T255 PolarHBondContact O-N 3.49Å; L251-T255 PolarHBondContact O-OG1 3.23Å; N252-T255 PolarHBondContact O-N 3.21Å; T255-K258 PolarHBondContact O-N 3.37Å; T255-I259 HydrophobicContact CG2-CD1 4.31Å; T255-I259 VanDerWaalsContact O-CG1 3.3Å; T255-I259 WeakPolarHBondContact O-CG1 3.44Å; T255-I259 PolarHBondContact O-N 2.83Å; T255-I259 VanDerWaalsContact O-N 3.09Å |
| 256 | I | 36.7 | Very low | 35.3 | Very low | 97 Ų | 97 | 83.2 Ų | 83.2 | 50% | 0.497 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 173.4 | -67.8 | 166.7 | 0 | 0 | 0 | 110.7 | N252 K258 I259 L260 | N252-I256 WeakPolarHBondContact O-CB 3.47Å; N252-I256 WeakPolarHBondContact O-CD1 3.2Å; N252-I256 WeakPolarHBondContact O-CG1 3.09Å; N252-I256 PolarHBondContact O-N 3.01Å; I256-K258 PolarHBondContact O-N 2.87Å; I256-I259 PolarHBondContact O-N 2.85Å; I256-L260 HydrophobicContact CG2-CD1 3.53Å; I256-L260 HydrophobicContact CG2-CG 4.32Å; I256-L260 WeakPolarHBondContact O-CB 3.27Å; I256-L260 WeakPolarHBondContact O-CG 3.48Å; I256-L260 PolarHBondContact O-N 2.98Å |
| 257 | R | 34.2 | Very low | 34.8 | Very low | 149 Ų | 149 | 86.9 Ų | 86.9 | 56% | 0.562 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65 | -36.6 | 175.8 | -76.8 | 173.7 | -176.1 | -169.7 | 3.4 | 113.2 | Q253 L254 L260 A261 L264 | Q253-R257 WeakPolarHBondContact O-CB 3.2Å; Q253-R257 WeakPolarHBondContact O-CD 3.35Å; Q253-R257 WeakPolarHBondContact O-CG 3.44Å; Q253-R257 PolarHBondContact O-N 3.5Å; L254-R257 PolarHBondContact O-N 3.29Å; R257-L260 PolarHBondContact O-N 3.47Å; R257-A261 PolarHBondContact O-N 2.93Å; R257-A261 VanDerWaalsContact O-N 3.1Å; R257-L264 HydrophobicContact CB-CD1 4.41Å |
| 258 | K | 35.9 | Very low | 34.5 | Very low | 115 Ų | 115 | 93.4 Ų | 93.4 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.6 | -36.4 | 173.8 | -87.2 | -171.8 | 174.2 | -174.4 | 0 | 112.9 | L254 T255 I256 | L254-K258 WeakPolarHBondContact O-CB 2.85Å; L254-K258 PolarHBondContact O-N 3.48Å; T255-K258 PolarHBondContact O-N 3.37Å; I256-K258 PolarHBondContact O-N 2.87Å |
| 259 | I | 35.5 | Very low | 34 | Very low | 116 Ų | 116 | 97.1 Ų | 97.1 | 60% | 0.595 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -71.2 | -37.4 | 176.4 | -67.7 | 165.1 | 0 | 0 | 0 | 111 | T255 I256 | T255-I259 HydrophobicContact CG2-CD1 4.31Å; T255-I259 VanDerWaalsContact O-CG1 3.3Å; T255-I259 WeakPolarHBondContact O-CG1 3.44Å; T255-I259 PolarHBondContact O-N 2.83Å; T255-I259 VanDerWaalsContact O-N 3.09Å; I256-I259 PolarHBondContact O-N 2.85Å |
| 260 | L | 30.9 | Very low | 33.6 | Very low | 124 Ų | 124 | 93.9 Ų | 93.9 | 65% | 0.649 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -82.5 | -19.7 | -175.3 | -69.8 | 170.7 | 0 | 0 | 0 | 114.6 | I256 R257 | I256-L260 HydrophobicContact CG2-CD1 3.53Å; I256-L260 HydrophobicContact CG2-CG 4.32Å; I256-L260 WeakPolarHBondContact O-CB 3.27Å; I256-L260 WeakPolarHBondContact O-CG 3.48Å; I256-L260 PolarHBondContact O-N 2.98Å; R257-L260 PolarHBondContact O-N 3.47Å |
| 261 | A | 31.6 | Very low | 33 | Very low | 26 Ų | 26 | 96.3 Ų | 96.3 | 22% | 0.215 | 51% | 0.505 | C | S | . | . | trans | -145.1 | 88.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | R257 S263 L264 | R257-A261 PolarHBondContact O-N 2.93Å; R257-A261 VanDerWaalsContact O-N 3.1Å; A261-S263 PolarHBondContact O-N 2.91Å; A261-L264 HydrophobicContact CB-CB 4.27Å; A261-L264 HydrophobicContact CB-CD1 3.53Å; A261-L264 HydrophobicContact CB-CG 3.59Å; A261-L264 WeakPolarHBondContact O-CB 3.5Å; A261-L264 PolarHBondContact O-N 3.41Å | ||
| 262 | P | 29.8 | Very low | 32.5 | Very low | 126 Ų | 126 | 96.3 Ų | 96.3 | 82% | 0.818 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -11.2 | 177.2 | 18.1 | -23.8 | 0 | 0 | 0 | 113.4 | ||
| 263 | S | 30 | Very low | 31.7 | Very low | 114 Ų | 114 | 99.9 Ų | 99.9 | 80% | 0.797 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -7.2 | 171.6 | 59.1 | 0 | 0 | 0 | 0 | 114.4 | A261 S265 | A261-S263 PolarHBondContact O-N 2.91Å; S263-S265 PolarHBondContact O-N 3.24Å |
| 264 | L | 30.4 | Very low | 31.1 | Very low | 99 Ų | 99 | 98.5 Ų | 98.5 | 52% | 0.518 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -72.3 | 109 | 170 | -77.1 | 171.1 | 0 | 0 | 0 | 107.8 | R257 A261 G266 | R257-L264 HydrophobicContact CB-CD1 4.41Å; A261-L264 HydrophobicContact CB-CB 4.27Å; A261-L264 HydrophobicContact CB-CD1 3.53Å; A261-L264 HydrophobicContact CB-CG 3.59Å; A261-L264 WeakPolarHBondContact O-CB 3.5Å; A261-L264 PolarHBondContact O-N 3.41Å; L264-G266 PolarHBondContact O-N 2.95Å; L264-G266 VanDerWaalsContact O-N 3.11Å |
| 265 | S | 32 | Very low | 30.6 | Very low | 88 Ų | 88 | 98.5 Ų | 98.5 | 62% | 0.615 | 54% | 0.536 | S | S | * | . | trans | -48 | 122.6 | 166.1 | 50.6 | 0 | 0 | 0 | 0 | 108.5 | S263 R267 | S263-S265 PolarHBondContact O-N 3.24Å; S265-R267 PolarHBondContact O-N 2.94Å | ||
| 266 | G | 30.4 | Very low | 30 | Very low | 49 Ų | 49 | 102.7 Ų | 102.7 | 51% | 0.505 | 55% | 0.551 | S | S | . | * | trans | -60.8 | 12.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L264 R268 | L264-G266 PolarHBondContact O-N 2.95Å; L264-G266 VanDerWaalsContact O-N 3.11Å; G266-R268 PolarHBondContact O-N 3.02Å | ||
| 267 | R | 30 | Very low | 29.4 | Very low | 146 Ų | 146 | 101.7 Ų | 101.7 | 55% | 0.551 | 57% | 0.565 | S | S | * | * | trans | -76.8 | 84.1 | -179.9 | -70.9 | -178.3 | 175.6 | -173.8 | -3.3 | 110.4 | S265 R269 | S265-R267 PolarHBondContact O-N 2.94Å; R267-R269 HydrophobicContact CB-CG 4.34Å; R267-R269 PolarHBondContact O-N 3.38Å | ||
| 268 | R | 29.6 | Very low | 28.9 | Very low | 184 Ų | 184 | 103.6 Ų | 103.6 | 69% | 0.694 | 58% | 0.578 | S | S | * | * | -70.6 | 96.5 | 125.2 | -92.2 | -173.1 | 175.6 | 178.5 | -2.2 | 104.4 | G266 L270 | G266-R268 PolarHBondContact O-N 3.02Å; R268-L270 VanDerWaalsContact C-N 3.32Å; R268-L270 PolarHBondContact O-N 3.17Å | |||
| 269 | R | 28.4 | Very low | 28.3 | Very low | 99 Ų | 99 | 101.2 Ų | 101.2 | 37% | 0.374 | 59% | 0.586 | S | S | . | * | trans | -56.4 | 104.7 | 163.5 | -80.3 | -177.9 | 172.2 | -178.6 | -1.9 | 105.3 | R267 P320 | R267-R269 HydrophobicContact CB-CG 4.34Å; R267-R269 PolarHBondContact O-N 3.38Å; R269-P320 PolarHBondContact NH1-O 3.13Å; R269-P320 VanDerWaalsContact NH1-O 3.1Å | ||
| 270 | L | 26.4 | Very low | 27.7 | Very low | 73 Ų | 73 | 105.1 Ų | 105.1 | 38% | 0.382 | 60% | 0.601 | S | S | . | * | trans | -54.9 | 136.6 | 143.8 | -81.1 | 156.2 | 0 | 0 | 0 | 105.4 | I172 R268 T272 | I172-L270 HydrophobicContact CB-CD1 4.05Å; R268-L270 VanDerWaalsContact C-N 3.32Å; R268-L270 PolarHBondContact O-N 3.17Å; L270-T272 VanDerWaalsContact C-N 3.27Å; L270-T272 PolarHBondContact O-N 3.37Å; L270-T272 PolarHBondContact O-OG1 3.38Å; L270-T272 VanDerWaalsContact O-OG1 3.1Å | ||
| 271 | P | 25.5 | Very low | 27.4 | Very low | 119 Ų | 119 | 105.6 Ų | 105.6 | 77% | 0.773 | 60% | 0.604 | S | S | * | * | trans | -59.5 | 98.1 | 178.3 | 25.3 | -31 | 0 | 0 | 0 | 107.4 | ||||
| 272 | T | 28.5 | Very low | 27 | Very low | 51 Ų | 51 | 109.7 Ų | 109.7 | 31% | 0.313 | 63% | 0.631 | S | S | . | * | trans | -98.8 | 123.3 | 171.8 | 15 | 0 | 0 | 0 | 0 | 104.6 | L96 L270 T274 | L96-T272 HydrophobicContact CD2-CG2 4.01Å; L270-T272 VanDerWaalsContact C-N 3.27Å; L270-T272 PolarHBondContact O-N 3.37Å; L270-T272 PolarHBondContact O-OG1 3.38Å; L270-T272 VanDerWaalsContact O-OG1 3.1Å; T272-T274 PolarHBondContact O-N 3.09Å | ||
| 273 | P | 24.7 | Very low | 26.8 | Very low | 104 Ų | 104 | 109.7 Ų | 109.7 | 68% | 0.675 | 62% | 0.623 | S | S | * | * | trans | -60.8 | 112.7 | 176.4 | 24.1 | -30.4 | 0 | 0 | 0 | 107.7 | S275 | P273-S275 PolarHBondContact O-N 3.49Š| ||
| 274 | T | 26.5 | Very low | 26.5 | Very low | 73 Ų | 73 | 112.4 Ų | 112.4 | 45% | 0.448 | 62% | 0.623 | S | S | . | * | trans | -78 | 116.9 | 176.7 | 21.9 | 0 | 0 | 0 | 0 | 109.5 | T272 D322 | T272-T274 PolarHBondContact O-N 3.09Å; T274-D322 PolarHBondContact OG1-OD2 3.31Å | ||
| 275 | S | 25.8 | Very low | 26.3 | Very low | 60 Ų | 60 | 116.5 Ų | 116.5 | 42% | 0.42 | 63% | 0.632 | S | S | . | * | trans | -82.8 | 123.5 | 158.8 | 51.9 | 0 | 0 | 0 | 0 | 109.2 | P273 | P273-S275 PolarHBondContact O-N 3.49Š| ||
| 276 | H | 26.7 | Very low | 26 | Very low | 144 Ų | 144 | 116.8 Ų | 116.8 | 67% | 0.667 | 63% | 0.627 | S | S | * | * | trans | 68.2 | 96.4 | 163.4 | -51.8 | -57.7 | 0 | 0 | 0 | 119 | F278 | H276-F278 AromaticContact ND1-CE2 3.94Š| ||
| 277 | G | 24 | Very low | 25.9 | Very low | 77 Ų | 77 | 119.1 Ų | 119.1 | 79% | 0.794 | 63% | 0.628 | S | S | * | * | trans | -148.8 | 78.6 | 153.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | G279 | G277-G279 PolarHBondContact O-N 3.39Š| ||
| 278 | F | 23.8 | Very low | 25.8 | Very low | 188 Ų | 188 | 119 Ų | 119 | 83% | 0.825 | 64% | 0.638 | S | S | * | * | trans | -64.4 | 102.2 | 177 | -77.9 | -84.3 | 0 | 0 | 0 | 110.2 | H276 | H276-F278 AromaticContact ND1-CE2 3.94Š| ||
| 279 | G | 23.9 | Very low | 25.6 | Very low | 65 Ų | 65 | 116.9 Ų | 116.9 | 67% | 0.67 | 64% | 0.639 | S | S | * | * | trans | -105 | 112.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | G277 L281 | G277-G279 PolarHBondContact O-N 3.39Å; G279-L281 PolarHBondContact O-N 2.84Å; G279-L281 VanDerWaalsContact O-N 3.12Å | ||
| 280 | Q | 23.7 | Very low | 25.6 | Very low | 198 Ų | 198 | 117.5 Ų | 117.5 | 93% | 0.925 | 66% | 0.659 | S | S | * | * | trans | -73.3 | 103 | -178.7 | -156.7 | 173.2 | 17.4 | 0 | 0 | 109.1 | ||||
| 281 | L | 24.5 | Very low | 25.7 | Very low | 134 Ų | 134 | 120.9 Ų | 120.9 | 70% | 0.702 | 68% | 0.677 | S | S | * | * | trans | -93.1 | 110.2 | 165.6 | -77.9 | 163.9 | 0 | 0 | 0 | 107.6 | G279 | G279-L281 PolarHBondContact O-N 2.84Å; G279-L281 VanDerWaalsContact O-N 3.12Å | ||
| 282 | S | 23.4 | Very low | 25.9 | Very low | 112 Ų | 112 | 123 Ų | 123 | 78% | 0.783 | 68% | 0.682 | S | S | * | * | trans | -82.6 | 117.7 | 173 | 54 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 283 | L | 24.5 | Very low | 25.9 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 66% | 0.66 | 70% | 0.704 | S | S | * | * | trans | -88.7 | 114.1 | 169.7 | -86.7 | 142.7 | 0 | 0 | 0 | 108.7 | W302 | L283-W302 HydrophobicContact CB-CE3 4.28Å; L283-W302 HydrophobicContact CB-CZ3 3.75Å; L283-W302 HydrophobicContact CD2-CD2 3.97Å; L283-W302 HydrophobicContact CD2-CE3 3.2Å; L283-W302 HydrophobicContact CD2-CZ3 3.55Å; L283-W302 HydrophobicContact CG-CE3 4.31Å; L283-W302 HydrophobicContact CG-CZ3 4.19Å | ||
| 284 | Q | 24.6 | Very low | 26.1 | Very low | 171 Ų | 171 | 126.3 Ų | 126.3 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | trans | -96.5 | 133.7 | 170.7 | -105.7 | 179.5 | -12.6 | 0 | 0 | 109.9 | N286 | Q284-N286 PolarHBondContact O-N 2.68Š| ||
| 285 | R | 25.3 | Very low | 26.1 | Very low | 185 Ų | 185 | 131.6 Ų | 131.6 | 70% | 0.698 | 73% | 0.729 | S | S | * | * | trans | -75 | 116.7 | 171.4 | 174.6 | -179.9 | 167.1 | -178.4 | -7.6 | 108.5 | D287 | R285-D287 IonicContact CZ-OD1 3.48Å; R285-D287 IonicContact CZ-OD2 2.68Å; R285-D287 IonicContact NE-OD1 2.92Å; R285-D287 PolarHBondContact NE-OD1 2.64Å; R285-D287 IonicContact NE-OD2 2.68Å; R285-D287 PolarHBondContact NE-OD2 2.92Å; R285-D287 IonicContact NH2-OD1 2.62Å; R285-D287 PolarHBondContact NH2-OD1 2.68Å; R285-D287 IonicContact NH2-OD2 3.05Å; R285-D287 PolarHBondContact NH2-OD2 2.99Å | ||
| 286 | N | 26.5 | Very low | 26.1 | Very low | 95 Ų | 95 | 135.6 Ų | 135.6 | 51% | 0.508 | 75% | 0.746 | S | S | . | * | trans | -92 | 110 | 166.7 | -94 | 4.2 | 0 | 0 | 0 | 108.9 | Q284 D288 | Q284-N286 PolarHBondContact O-N 2.68Å; N286-D288 VanDerWaalsContact C-N 3.27Å; N286-D288 PolarHBondContact O-N 3.48Å | ||
| 287 | D | 27.2 | Very low | 26 | Very low | 98 Ų | 98 | 136.2 Ų | 136.2 | 52% | 0.524 | 75% | 0.754 | S | S | . | * | trans | -82.9 | 72.2 | 165.9 | -70.8 | -40.3 | 0 | 0 | 0 | 108.9 | R285 I289 | R285-D287 IonicContact CZ-OD1 3.48Å; R285-D287 IonicContact CZ-OD2 2.68Å; R285-D287 IonicContact NE-OD1 2.92Å; R285-D287 PolarHBondContact NE-OD1 2.64Å; R285-D287 IonicContact NE-OD2 2.68Å; R285-D287 PolarHBondContact NE-OD2 2.92Å; R285-D287 IonicContact NH2-OD1 2.62Å; R285-D287 PolarHBondContact NH2-OD1 2.68Å; R285-D287 IonicContact NH2-OD2 3.05Å; R285-D287 PolarHBondContact NH2-OD2 2.99Å; D287-I289 PolarHBondContact O-N 3.2Å; D287-I289 VanDerWaalsContact O-N 3.15Å | ||
| 288 | D | 28.3 | Very low | 26.1 | Very low | 144 Ų | 144 | 136 Ų | 136 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | -86 | 88.6 | 170.8 | -105.1 | -18.1 | 0 | 0 | 0 | 110.1 | N286 S290 | N286-D288 VanDerWaalsContact C-N 3.27Å; N286-D288 PolarHBondContact O-N 3.48Å; D288-S290 PolarHBondContact O-N 3.01Å | ||
| 289 | I | 25.4 | Very low | 26.1 | Very low | 139 Ų | 139 | 132 Ų | 132 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | -62.4 | 99.8 | 163.3 | -60.1 | 161.6 | 0 | 0 | 0 | 107 | D287 | D287-I289 PolarHBondContact O-N 3.2Å; D287-I289 VanDerWaalsContact O-N 3.15Å | ||
| 290 | S | 28.8 | Very low | 26.1 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | trans | -110.1 | 106.6 | 160.1 | 58.8 | 0 | 0 | 0 | 0 | 109.2 | D288 D292 | D288-S290 PolarHBondContact O-N 3.01Å; S290-D292 PolarHBondContact O-N 3.24Å | ||
| 291 | N | 27.5 | Very low | 26.1 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | trans | -53.3 | 97 | 171.1 | -66.8 | -39.4 | 0 | 0 | 0 | 109.9 | ||||
| 292 | D | 30.6 | Very low | 26.2 | Very low | 163 Ų | 163 | 134 Ų | 134 | 87% | 0.872 | 73% | 0.725 | S | S | * | * | trans | -159.3 | 125.5 | 144.1 | -104.1 | -26.1 | 0 | 0 | 0 | 110.4 | S290 N294 | S290-D292 PolarHBondContact O-N 3.24Å; D292-N294 PolarHBondContact O-N 3.42Å | ||
| 293 | G | 28.1 | Very low | 26.2 | Very low | 76 Ų | 76 | 133 Ų | 133 | 78% | 0.784 | 71% | 0.713 | S | S | * | * | trans | -58.5 | 105.9 | -167.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 294 | N | 28.5 | Very low | 26.2 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | trans | -157.2 | 114.7 | 142.5 | -105.2 | -26.1 | 0 | 0 | 0 | 109 | D292 N296 | D292-N294 PolarHBondContact O-N 3.42Å; N294-N296 PolarHBondContact O-N 2.96Å | ||
| 295 | H | 26.4 | Very low | 26.1 | Very low | 185 Ų | 185 | 135 Ų | 135 | 86% | 0.856 | 72% | 0.722 | S | S | * | * | trans | -54.5 | 98.1 | 174.1 | -69.7 | -76 | 0 | 0 | 0 | 110.4 | ||||
| 296 | N | 25.9 | Very low | 26.2 | Very low | 144 Ų | 144 | 133.6 Ų | 133.6 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | -130.4 | 102.3 | 158.9 | -85.9 | -29.6 | 0 | 0 | 0 | 106.8 | N294 G298 | N294-N296 PolarHBondContact O-N 2.96Å; N296-G298 PolarHBondContact O-N 2.78Å | ||
| 297 | D | 25.4 | Very low | 26.1 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | 128.8 | -179.9 | -68.1 | -43.1 | 0 | 0 | 0 | 112 | ||
| 298 | G | 25.3 | Very low | 25.9 | Very low | 73 Ų | 73 | 137.7 Ų | 137.7 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.7 | 18.8 | 144.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | N296 I300 | N296-G298 PolarHBondContact O-N 2.78Å; G298-I300 PolarHBondContact O-N 3.48Å; G298-I300 VanDerWaalsContact O-N 3.12Å |
| 299 | V | 24.2 | Very low | 25.6 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 62% | 0.618 | 75% | 0.754 | S | S | * | * | trans | -81.2 | 94.7 | 174.3 | -172.4 | 0 | 0 | 0 | 0 | 110.7 | F301 | V299-F301 HydrophobicContact CB-CE2 4.35Å; V299-F301 HydrophobicContact CG1-CD2 4.11Å; V299-F301 HydrophobicContact CG1-CE1 4.45Å; V299-F301 HydrophobicContact CG1-CE2 3.67Å; V299-F301 HydrophobicContact CG1-CZ 3.86Å | ||
| 300 | I | 24.9 | Very low | 25.7 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 62% | 0.621 | 76% | 0.759 | S | S | * | * | trans | -77.6 | 117 | 169.2 | -60.6 | 172.1 | 0 | 0 | 0 | 108.2 | G298 W302 | G298-I300 PolarHBondContact O-N 3.48Å; G298-I300 VanDerWaalsContact O-N 3.12Å; I300-W302 HydrophobicContact CG2-CZ2 4.46Å | ||
| 301 | F | 23.9 | Very low | 25.3 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | trans | -87.8 | 120.1 | 173 | -75.5 | -86.5 | 0 | 0 | 0 | 110.6 | V299 | V299-F301 HydrophobicContact CB-CE2 4.35Å; V299-F301 HydrophobicContact CG1-CD2 4.11Å; V299-F301 HydrophobicContact CG1-CE1 4.45Å; V299-F301 HydrophobicContact CG1-CE2 3.67Å; V299-F301 HydrophobicContact CG1-CZ 3.86Å | ||
| 302 | W | 25.4 | Very low | 25.2 | Very low | 161 Ų | 161 | 145.1 Ų | 145.1 | 61% | 0.61 | 76% | 0.762 | S | S | * | * | trans | -96.6 | 113.8 | 165.1 | -60.4 | 97.6 | 0 | 0 | 0 | 108.3 | L283 I300 | L283-W302 HydrophobicContact CB-CE3 4.28Å; L283-W302 HydrophobicContact CB-CZ3 3.75Å; L283-W302 HydrophobicContact CD2-CD2 3.97Å; L283-W302 HydrophobicContact CD2-CE3 3.2Å; L283-W302 HydrophobicContact CD2-CZ3 3.55Å; L283-W302 HydrophobicContact CG-CE3 4.31Å; L283-W302 HydrophobicContact CG-CZ3 4.19Å; I300-W302 HydrophobicContact CG2-CZ2 4.46Å | ||
| 303 | T | 24.1 | Very low | 24.7 | Very low | 89 Ų | 89 | 142.1 Ų | 142.1 | 55% | 0.546 | 76% | 0.76 | S | S | . | * | trans | -103.5 | 119.9 | 172 | 30 | 0 | 0 | 0 | 0 | 110 | F305 | T303-F305 PolarHBondContact O-N 2.77Š| ||
| 304 | L | 24.5 | Very low | 24.6 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | -78.5 | 97.4 | 167.4 | -109.1 | 137.5 | 0 | 0 | 0 | 108.2 | ||||
| 305 | F | 22.8 | Very low | 24.3 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | trans | -82.5 | 116.5 | 168.6 | -88.1 | -88.4 | 0 | 0 | 0 | 109.6 | T303 | T303-F305 PolarHBondContact O-N 2.77Š| ||
| 306 | N | 26 | Very low | 24.2 | Very low | 155 Ų | 155 | 145.2 Ų | 145.2 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | -113.8 | 137.1 | 156.3 | -156.6 | -5.2 | 0 | 0 | 0 | 108.7 | ||||
| 307 | A | 25.3 | Very low | 24.2 | Very low | 88 Ų | 88 | 146.2 Ų | 146.2 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -59 | 148.3 | -162.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 308 | K | 22.3 | Very low | 24.1 | Very low | 190 Ų | 190 | 145 Ų | 145 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -40.2 | 141.6 | 176.7 | -72.7 | 170.2 | 173.3 | 173.6 | 0 | 113.7 | ||
| 309 | H | 23.5 | Very low | 24.1 | Very low | 170 Ų | 170 | 149.2 Ų | 149.2 | 79% | 0.787 | 75% | 0.754 | S | S | * | * | trans | 80.5 | 112 | 177.4 | -50 | -63.1 | 0 | 0 | 0 | 113.8 | ||||
| 310 | W | 26.1 | Very low | 24.2 | Very low | 219 Ų | 219 | 148.5 Ų | 148.5 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | trans | 178.9 | 95.7 | 131.7 | -90.5 | 27.4 | 0 | 0 | 0 | 108.5 | L312 | W310-L312 HydrophobicContact CD2-CD1 4.09Å; W310-L312 HydrophobicContact CE3-CD1 3.58Å; W310-L312 HydrophobicContact CZ3-CD1 3.98Å; W310-L312 PolarHBondContact O-N 2.76Å | ||
| 311 | L | 21.3 | Very low | 24.3 | Very low | 187 Ų | 187 | 149 Ų | 149 | 98% | 0.979 | 75% | 0.749 | S | S | * | * | trans | -73 | 90.1 | 160 | -86.7 | 149.2 | 0 | 0 | 0 | 107.6 | ||||
| 312 | L | 24.3 | Very low | 24.3 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 63% | 0.628 | 74% | 0.743 | S | S | * | * | trans | -143.5 | 124.9 | 172.3 | -97.2 | 150.3 | 0 | 0 | 0 | 109 | W310 V314 | W310-L312 HydrophobicContact CD2-CD1 4.09Å; W310-L312 HydrophobicContact CE3-CD1 3.58Å; W310-L312 HydrophobicContact CZ3-CD1 3.98Å; W310-L312 PolarHBondContact O-N 2.76Å; L312-V314 PolarHBondContact O-N 3.3Å | ||
| 313 | A | 21.6 | Very low | 24.3 | Very low | 100 Ų | 100 | 143.8 Ų | 143.8 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | trans | -49.4 | 121.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | D315 | A313-D315 PolarHBondContact O-N 3.02Š| ||
| 314 | V | 24.3 | Very low | 24.3 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | -84 | 82.1 | -168.6 | -171.7 | 0 | 0 | 0 | 0 | 110 | L312 K316 | L312-V314 PolarHBondContact O-N 3.3Å; V314-K316 VanDerWaalsContact C-N 3.32Å | ||
| 315 | D | 22.2 | Very low | 24.4 | Very low | 169 Ų | 169 | 142.7 Ų | 142.7 | 90% | 0.904 | 74% | 0.738 | S | S | * | * | trans | -97.9 | 28.8 | 170.6 | -125.5 | -4.3 | 0 | 0 | 0 | 111.4 | A313 | A313-D315 PolarHBondContact O-N 3.02Š| ||
| 316 | K | 24.9 | Very low | 24.5 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | trans | -122.1 | 111.1 | 179.2 | -76.9 | -175.5 | 178.2 | 177.8 | 0 | 110.4 | V314 I318 | V314-K316 VanDerWaalsContact C-N 3.32Å; K316-I318 PolarHBondContact O-N 2.88Å; K316-I318 VanDerWaalsContact O-N 3.17Å | ||
| 317 | I | 25.2 | Very low | 24.4 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 85% | 0.851 | 73% | 0.728 | S | S | * | * | trans | -58.9 | 115.6 | 168.7 | -63.2 | 172.1 | 0 | 0 | 0 | 108.3 | K319 | I317-K319 PolarHBondContact O-N 3.48Š| ||
| 318 | I | 25 | Very low | 24.5 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 67% | 0.672 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -62 | 123.7 | 170.1 | -63.7 | 168.9 | 0 | 0 | 0 | 106.9 | K316 F321 | K316-I318 PolarHBondContact O-N 2.88Å; K316-I318 VanDerWaalsContact O-N 3.17Å; I318-F321 HydrophobicContact CG2-CD1 4.48Å; I318-F321 HydrophobicContact CG2-CE1 4.24Å |
| 319 | K | 24.5 | Very low | 24.7 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 70% | 0.704 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 135.6 | 176.7 | -71.7 | 177.1 | 179.5 | 174.6 | 0 | 108.8 | I317 F321 | I317-K319 PolarHBondContact O-N 3.48Å; K319-F321 PolarHBondContact O-N 3.38Å; K319-F321 VanDerWaalsContact O-N 3.15Å |
| 320 | P | 25.9 | Very low | 24.9 | Very low | 86 Ų | 86 | 135 Ų | 135 | 56% | 0.558 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 123 | 166.1 | -15.8 | 20.7 | 0 | 0 | 0 | 108.8 | R269 | R269-P320 PolarHBondContact NH1-O 3.13Å; R269-P320 VanDerWaalsContact NH1-O 3.1Å |
| 321 | F | 26.9 | Very low | 24.9 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 58% | 0.583 | 72% | 0.722 | S | S | * | * | trans | -108 | 138.5 | 170.5 | 52.1 | -90 | 0 | 0 | 0 | 107.8 | I318 K319 V323 | I318-F321 HydrophobicContact CG2-CD1 4.48Å; I318-F321 HydrophobicContact CG2-CE1 4.24Å; K319-F321 PolarHBondContact O-N 3.38Å; K319-F321 VanDerWaalsContact O-N 3.15Å; F321-V323 HydrophobicContact CD2-CG2 3.8Å; F321-V323 HydrophobicContact CE2-CG2 3.64Å | ||
| 322 | D | 23.7 | Very low | 25.2 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 56% | 0.556 | 72% | 0.717 | S | S | * | * | trans | -76.8 | 125.4 | 170.7 | -66.8 | -41.3 | 0 | 0 | 0 | 108.3 | T274 | T274-D322 PolarHBondContact OG1-OD2 3.31Š| ||
| 323 | V | 26 | Very low | 25.3 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 64% | 0.642 | 72% | 0.721 | S | S | * | * | trans | -89.3 | 102.7 | 168.1 | -179.6 | 0 | 0 | 0 | 0 | 107.1 | F321 I325 | F321-V323 HydrophobicContact CD2-CG2 3.8Å; F321-V323 HydrophobicContact CE2-CG2 3.64Å; V323-I325 HydrophobicContact CG1-CG1 4.03Å; V323-I325 PolarHBondContact O-N 3.11Å | ||
| 324 | V | 24.9 | Very low | 25.6 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 63% | 0.63 | 72% | 0.722 | S | S | * | * | trans | -85.5 | 106.7 | 166 | -176.2 | 0 | 0 | 0 | 0 | 107.2 | T326 | V324-T326 VanDerWaalsContact C-N 3.34Å; V324-T326 HydrophobicContact CG1-CG2 3.83Å; V324-T326 PolarHBondContact O-N 2.74Å; V324-T326 VanDerWaalsContact O-N 3.13Å | ||
| 325 | I | 26 | Very low | 25.6 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 66% | 0.662 | 72% | 0.724 | S | S | * | * | trans | -78.5 | 91.8 | 165.7 | -55.5 | 177.5 | 0 | 0 | 0 | 106.3 | V323 S327 I378 | V323-I325 HydrophobicContact CG1-CG1 4.03Å; V323-I325 PolarHBondContact O-N 3.11Å; I325-S327 PolarHBondContact O-N 3.24Å; I325-I378 HydrophobicContact CD1-CD1 4.04Å | ||
| 326 | T | 24.1 | Very low | 25.8 | Very low | 101 Ų | 101 | 128.9 Ų | 128.9 | 62% | 0.62 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 116.8 | 163.9 | 48.7 | 0 | 0 | 0 | 0 | 107.6 | V324 L328 | V324-T326 VanDerWaalsContact C-N 3.34Å; V324-T326 HydrophobicContact CG1-CG2 3.83Å; V324-T326 PolarHBondContact O-N 2.74Å; V324-T326 VanDerWaalsContact O-N 3.13Å; T326-L328 PolarHBondContact O-N 3.5Å; T326-L328 VanDerWaalsContact O-N 3.12Å |
| 327 | S | 24.6 | Very low | 26 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 118.3 | 160 | 50.3 | 0 | 0 | 0 | 0 | 107 | I325 | I325-S327 PolarHBondContact O-N 3.24Š|
| 328 | L | 26.3 | Very low | 26 | Very low | 146 Ų | 146 | 126.7 Ų | 126.7 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 146.6 | 167.7 | -102.7 | 89.3 | 0 | 0 | 0 | 108.3 | T326 D330 | T326-L328 PolarHBondContact O-N 3.5Å; T326-L328 VanDerWaalsContact O-N 3.12Å; L328-D330 PolarHBondContact O-N 3.24Å |
| 329 | P | 27.6 | Very low | 26.1 | Very low | 106 Ų | 106 | 123.9 Ų | 123.9 | 69% | 0.688 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 130.3 | 170.1 | -18.7 | 29.4 | 0 | 0 | 0 | 108.7 | D331 | P329-D331 PolarHBondContact O-N 3.22Š|
| 330 | D | 26.9 | Very low | 26.3 | Very low | 153 Ų | 153 | 125.4 Ų | 125.4 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -60.2 | 78.2 | 173.2 | -89.4 | -38.1 | 0 | 0 | 0 | 109.7 | L328 | L328-D330 PolarHBondContact O-N 3.24Š|
| 331 | D | 25.9 | Very low | 26.7 | Very low | 142 Ų | 142 | 130.5 Ų | 130.5 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -140 | 101.7 | 163.9 | -81.4 | -39.9 | 0 | 0 | 0 | 105.6 | P329 | P329-D331 PolarHBondContact O-N 3.22Š|
| 332 | Q | 28.5 | Very low | 27.1 | Very low | 189 Ų | 189 | 129.3 Ų | 129.3 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 103.7 | 16.4 | 174.2 | -52.7 | -178.6 | 13.6 | 0 | 0 | 119.4 | H334 | Q332-H334 PolarHBondContact O-N 3.39Å; Q332-H334 VanDerWaalsContact O-N 3.16Å |
| 333 | A | 27.2 | Very low | 27.6 | Very low | 85 Ų | 85 | 127.7 Ų | 127.7 | 70% | 0.702 | 74% | 0.741 | S | S | * | * | trans | -80.4 | 98.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | S335 | A333-S335 PolarHBondContact O-N 3.36Å; A333-S335 VanDerWaalsContact O-N 3.11Å | ||
| 334 | H | 27.2 | Very low | 28.1 | Very low | 185 Ų | 185 | 123.1 Ų | 123.1 | 86% | 0.856 | 71% | 0.714 | S | S | * | * | trans | -50.2 | 118.2 | 167.9 | -79.3 | -73.1 | 0 | 0 | 0 | 111 | Q332 | Q332-H334 PolarHBondContact O-N 3.39Å; Q332-H334 VanDerWaalsContact O-N 3.16Å | ||
| 335 | S | 24.1 | Very low | 28.7 | Very low | 116 Ų | 116 | 118.8 Ų | 118.8 | 81% | 0.811 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -39.9 | 128.6 | 169.1 | 54.4 | 0 | 0 | 0 | 0 | 113.4 | A333 | A333-S335 PolarHBondContact O-N 3.36Å; A333-S335 VanDerWaalsContact O-N 3.11Å |
| 336 | G | 26.9 | Very low | 29.3 | Very low | 76 Ų | 76 | 115.4 Ų | 115.4 | 78% | 0.784 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 172.8 | -35.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 337 | V | 27.5 | Very low | 30 | Very low | 140 Ų | 140 | 110.6 Ų | 110.6 | 85% | 0.848 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -133.5 | -9.9 | -163.7 | -171 | 0 | 0 | 0 | 0 | 114.7 | G339 | V337-G339 PolarHBondContact O-N 2.89Š|
| 338 | V | 25.6 | Very low | 30.7 | Very low | 156 Ų | 156 | 110.6 Ų | 110.6 | 95% | 0.945 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 96.8 | -176 | -172.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 339 | G | 27.2 | Very low | 31.4 | Very low | 73 Ų | 73 | 104.8 Ų | 104.8 | 75% | 0.753 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 168 | -5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | V337 | V337-G339 PolarHBondContact O-N 2.89Š|
| 340 | K | 29.7 | Very low | 32 | Very low | 193 Ų | 193 | 106.6 Ų | 106.6 | 84% | 0.839 | 61% | 0.607 | S | S | * | * | trans | -91.7 | 111.2 | 178.5 | -74.9 | -175.1 | 178 | 178.6 | 0 | 111.1 | Q342 | K340-Q342 PolarHBondContact O-N 3.11Š| ||
| 341 | K | 33.4 | Very low | 32.8 | Very low | 193 Ų | 193 | 106.7 Ų | 106.7 | 84% | 0.839 | 61% | 0.608 | S | S | * | * | trans | -48.6 | 111.7 | 160.9 | -76.9 | -178.5 | 174.2 | -175.9 | 0 | 108.2 | ||||
| 342 | Q | 36.1 | Very low | 33.2 | Very low | 108 Ų | 108 | 105.3 Ų | 105.3 | 51% | 0.505 | 60% | 0.597 | S | S | . | * | trans | -92.8 | 107.5 | 173.4 | -74.6 | 176.4 | -17.3 | 0 | 0 | 108 | K340 L380 | K340-Q342 PolarHBondContact O-N 3.11Å; Q342-L380 HydrophobicContact CB-CD2 3.55Å; Q342-L380 HydrophobicContact CG-CD2 4.21Å | ||
| 343 | T | 33.8 | Very low | 33.7 | Very low | 71 Ų | 71 | 100.1 Ų | 100.1 | 44% | 0.436 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.7 | 125.5 | 173.9 | 36 | 0 | 0 | 0 | 0 | 109.6 | F373 | T343-F373 WeakPolarHBondContact CA-O 3.16Å |
| 344 | A | 37.7 | Very low | 34.2 | Very low | 10 Ų | 10 | 99 Ų | 99 | 8% | 0.083 | 56% | 0.564 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.7 | 136.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | S372 F373 L375 L380 | A344-S372 CarbonylContact O-C 3.53Å; A344-S372 WeakPolarHBondContact O-CA 3.23Å; A344-F373 PolarHBondContact N-O 3.33Å; A344-F373 PolarHBondContact O-N 2.81Å; A344-L375 HydrophobicContact CB-CD1 4.23Å; A344-L380 HydrophobicContact CB-CD1 4.26Å |
| 345 | C | 36.2 | Very low | 34.8 | Very low | 12 Ų | 12 | 95.5 Ų | 95.5 | 8% | 0.081 | 55% | 0.549 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 122.2 | 178.9 | -169.4 | 0 | 0 | 0 | 0 | 109.3 | C356 C370 Q371 | C345-C356 HydrophobicContact CB-CB 4.12Å; C345-C356 PolarHBondContact O-N 2.85Å; C345-C370 WeakPolarHBondContact SG-CB 3.44Å; C345-Q371 WeakPolarHBondContact CA-O 3.29Å |
| 346 | I | 39 | Very low | 35.5 | Very low | 59 Ų | 59 | 90.6 Ų | 90.6 | 30% | 0.303 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 132.1 | 176.5 | -53.3 | 175.4 | 0 | 0 | 0 | 108.8 | P353 Q371 F373 | I346-P353 HydrophobicContact CG2-CB 4.04Å; I346-Q371 PolarHBondContact N-O 3.34Å; I346-Q371 VanDerWaalsContact N-O 3.11Å; I346-Q371 PolarHBondContact O-N 3.38Å; I346-F373 HydrophobicContact CB-CE2 3.96Å; I346-F373 HydrophobicContact CD1-CD2 4.21Å; I346-F373 HydrophobicContact CD1-CE2 3.8Å; I346-F373 HydrophobicContact CG1-CD2 4.26Å; I346-F373 HydrophobicContact CG1-CE2 3.85Å |
| 347 | C | 37.7 | Very low | 36 | Very low | 0 Ų | 0 | 92.8 Ų | 92.8 | 0% | 0 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127 | -171.8 | -43.3 | 0 | 0 | 0 | 0 | 107.1 | T354 C356 I363 C370 | C347-T354 WeakPolarHBondContact CB-O 3.46Å; C347-T354 PolarHBondContact N-O 2.76Å; C347-T354 PolarHBondContact O-N 2.84Å; C347-T354 PolarHBondContact O-OG1 3.36Å; C347-C356 WeakPolarHBondContact CB-SG 3.39Å; C347-C356 WeakPolarHBondContact SG-CB 3.42Å; C347-C356 CovalentContact SG-SG 2.03Å; C347-C356 PolarHBondContact SG-SG 3.14Å; C347-I363 HydrophobicContact CB-CD1 3.58Å; C347-I363 HydrophobicContact CB-CG1 3.71Å; C347-C370 HydrophobicContact CB-CB 4.34Å; C347-C370 WeakPolarHBondContact SG-CB 3.38Å; C347-C370 PolarHBondContact SG-SG 2.71Å |
| 348 | L | 40.7 | Very low | 36.8 | Very low | 109 Ų | 109 | 93 Ų | 93 | 57% | 0.571 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 111.4 | 175 | -78.8 | 161 | 0 | 0 | 0 | 108.2 | ||
| 349 | S | 40.3 | Very low | 37.4 | Very low | 25 Ų | 25 | 91.5 Ų | 91.5 | 18% | 0.175 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 118.7 | 171.3 | -174 | 0 | 0 | 0 | 0 | 108.5 | D351 H352 | S349-D351 PolarHBondContact O-N 3.3Å; S349-H352 PolarHBondContact N-O 3Å; S349-H352 VanDerWaalsContact N-O 3.09Å; S349-H352 PolarHBondContact O-N 3.28Å; S349-H352 VanDerWaalsContact O-O 3.11Å |
| 350 | N | 41.1 | Very low | 37.9 | Very low | 143 Ų | 143 | 91.4 Ų | 91.4 | 77% | 0.765 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 53.5 | 177.6 | -60.8 | -21.6 | 0 | 0 | 0 | 113.6 | H352 | N350-H352 PolarHBondContact O-N 2.92Š|
| 351 | D | 42.4 | Very low | 38.3 | Very low | 155 Ų | 155 | 87 Ų | 87 | 83% | 0.829 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 15.4 | -178.9 | -57.8 | -36.6 | 0 | 0 | 0 | 115.5 | S349 | S349-D351 PolarHBondContact O-N 3.3Š|
| 352 | H | 35.3 | Very low | 38.4 | Very low | 113 Ų | 113 | 83.8 Ų | 83.8 | 52% | 0.523 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 129.7 | 176.5 | -63.9 | -32 | 0 | 0 | 0 | 111 | S349 N350 T354 | S349-H352 PolarHBondContact N-O 3Å; S349-H352 VanDerWaalsContact N-O 3.09Å; S349-H352 PolarHBondContact O-N 3.28Å; S349-H352 VanDerWaalsContact O-O 3.11Å; N350-H352 PolarHBondContact O-N 2.92Å; H352-T354 PolarHBondContact O-N 2.98Å |
| 353 | P | 38.7 | Very low | 38.6 | Very low | 81 Ų | 81 | 79.7 Ų | 79.7 | 53% | 0.526 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 119.2 | 174.4 | 28.3 | -30.9 | 0 | 0 | 0 | 109.6 | I346 | I346-P353 HydrophobicContact CG2-CB 4.04Å |
| 354 | T | 38 | Very low | 38.8 | Very low | 60 Ų | 60 | 82.5 Ų | 82.5 | 37% | 0.368 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 133.5 | 171.5 | 21.3 | 0 | 0 | 0 | 0 | 109.8 | C347 H352 I363 | C347-T354 WeakPolarHBondContact CB-O 3.46Å; C347-T354 PolarHBondContact N-O 2.76Å; C347-T354 PolarHBondContact O-N 2.84Å; C347-T354 PolarHBondContact O-OG1 3.36Å; H352-T354 PolarHBondContact O-N 2.98Å; T354-I363 WeakPolarHBondContact OG1-CD1 3.39Å |
| 355 | M | 40.2 | Very low | 39 | Very low | 113 Ų | 113 | 87 Ų | 87 | 56% | 0.557 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 133.2 | 168.1 | -80.5 | -149.8 | 74.9 | 0 | 0 | 109.4 | M384 | M355-M384 HydrophobicContact CE-CE 4.34Å; M355-M384 HydrophobicContact SD-CE 4.46Å |
| 356 | C | 38.3 | Very low | 39.4 | Very low | 12 Ų | 12 | 89.3 Ų | 89.3 | 8% | 0.081 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -100.2 | 145.5 | 175.2 | -68.9 | 0 | 0 | 0 | 0 | 111.3 | C345 C347 I363 | C345-C356 HydrophobicContact CB-CB 4.12Å; C345-C356 PolarHBondContact O-N 2.85Å; C347-C356 WeakPolarHBondContact CB-SG 3.39Å; C347-C356 WeakPolarHBondContact SG-CB 3.42Å; C347-C356 CovalentContact SG-SG 2.03Å; C347-C356 PolarHBondContact SG-SG 3.14Å; C356-I363 WeakPolarHBondContact SG-CG1 3.16Å |
| 357 | D | 38.6 | Very low | 39.5 | Very low | 122 Ų | 122 | 95.1 Ų | 95.1 | 65% | 0.652 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 145.1 | -179.6 | -151.4 | -11.1 | 0 | 0 | 0 | 111.5 | T359 T360 | D357-T359 PolarHBondContact O-N 2.91Å; D357-T360 PolarHBondContact O-N 3.21Å |
| 358 | H | 43.5 | Very low | 39.5 | Very low | 144 Ų | 144 | 96.9 Ų | 96.9 | 67% | 0.667 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -1.5 | -158.6 | -68.2 | -72.2 | 0 | 0 | 0 | 116.6 | ||
| 359 | T | 38.1 | Very low | 39.4 | Very low | 125 Ų | 125 | 97 Ų | 97 | 77% | 0.767 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | -14.8 | -170.1 | 44.7 | 0 | 0 | 0 | 0 | 114.1 | D357 | D357-T359 PolarHBondContact O-N 2.91Š|
| 360 | T | 36.4 | Very low | 39.3 | Very low | 71 Ų | 71 | 96.8 Ų | 96.8 | 44% | 0.436 | 53% | 0.532 | S | S | . | . | trans | -140.2 | 118.1 | -175.9 | 49.4 | 0 | 0 | 0 | 0 | 109.3 | D357 Y362 | D357-T360 PolarHBondContact O-N 3.21Å; T360-Y362 PolarHBondContact O-N 3.12Å | ||
| 361 | N | 39.3 | Very low | 39.2 | Very low | 102 Ų | 102 | 94.7 Ų | 94.7 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -66.5 | 32.8 | 175.4 | -72.9 | -23.7 | 0 | 0 | 0 | 113.5 | C370 | N361-C370 VanDerWaalsContact C-SG 3.57Å; N361-C370 PolarHBondContact O-SG 2.03Å |
| 362 | Y | 35.7 | Very low | 39 | Very low | 125 Ų | 125 | 90.8 Ų | 90.8 | 49% | 0.49 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 144.3 | -170.9 | -65.1 | -78.4 | 0 | 0 | 0 | 110.4 | T360 | T360-Y362 PolarHBondContact O-N 3.12Å |
| 363 | I | 40.4 | Very low | 39 | Very low | 22 Ų | 22 | 88.8 Ų | 88.8 | 11% | 0.113 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 125.7 | 161.5 | -59.4 | 175.2 | 0 | 0 | 0 | 106.9 | C347 T354 C356 S365 V366 | C347-I363 HydrophobicContact CB-CD1 3.58Å; C347-I363 HydrophobicContact CB-CG1 3.71Å; T354-I363 WeakPolarHBondContact OG1-CD1 3.39Å; C356-I363 WeakPolarHBondContact SG-CG1 3.16Å; I363-S365 WeakPolarHBondContact CG2-OG 3.49Å; I363-S365 PolarHBondContact O-N 3.13Å; I363-V366 CarbonylContact O-C 3.56Å; I363-V366 PolarHBondContact O-N 2.99Å; I363-V366 VanDerWaalsContact O-N 3.13Å |
| 364 | P | 36.7 | Very low | 38.8 | Very low | 130 Ų | 130 | 89.8 Ų | 89.8 | 84% | 0.844 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -23.2 | -177 | -25.1 | 32.1 | 0 | 0 | 0 | 114.8 | ||
| 365 | S | 43.4 | Very low | 38.5 | Very low | 105 Ų | 105 | 89 Ų | 89 | 73% | 0.734 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -12.9 | -177.3 | 55 | 0 | 0 | 0 | 0 | 114.8 | I363 | I363-S365 WeakPolarHBondContact CG2-OG 3.49Å; I363-S365 PolarHBondContact O-N 3.13Å |
| 366 | V | 42.9 | Very low | 38.3 | Very low | 59 Ų | 59 | 86.5 Ų | 86.5 | 36% | 0.358 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 114.2 | -174.7 | -168.1 | 0 | 0 | 0 | 0 | 106.4 | I363 T368 | I363-V366 CarbonylContact O-C 3.56Å; I363-V366 PolarHBondContact O-N 2.99Å; I363-V366 VanDerWaalsContact O-N 3.13Å; V366-T368 HydrophobicContact CG1-CG2 4.09Å; V366-T368 WeakPolarHBondContact CG1-OG1 3.12Å; V366-T368 PolarHBondContact O-N 3.48Å; V366-T368 PolarHBondContact O-OG1 3.28Å |
| 367 | H | 41 | Very low | 38.1 | Very low | 181 Ų | 181 | 89.5 Ų | 89.5 | 84% | 0.838 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 46.4 | 176.2 | -72.5 | -51 | 0 | 0 | 0 | 112.7 | ||
| 368 | T | 38.5 | Very low | 37.9 | Very low | 38 Ų | 38 | 88.7 Ų | 88.7 | 23% | 0.233 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 127.4 | 175 | 16.5 | 0 | 0 | 0 | 0 | 109.4 | V366 C370 | V366-T368 HydrophobicContact CG1-CG2 4.09Å; V366-T368 WeakPolarHBondContact CG1-OG1 3.12Å; V366-T368 PolarHBondContact O-N 3.48Å; V366-T368 PolarHBondContact O-OG1 3.28Å; T368-C370 PolarHBondContact O-N 3.32Å; T368-C370 PolarHBondContact O-SG 3.13Å |
| 369 | P | 38.5 | Very low | 37.4 | Very low | 111 Ų | 111 | 83.8 Ų | 83.8 | 72% | 0.721 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 134.4 | 173.8 | 26.8 | -32 | 0 | 0 | 0 | 109.6 | ||
| 370 | C | 38.4 | Very low | 37.4 | Very low | 20 Ų | 20 | 78.6 Ų | 78.6 | 14% | 0.135 | 45% | 0.446 | C | S | . | . | trans | -106.5 | 140.1 | -176.6 | -47.2 | 0 | 0 | 0 | 0 | 110 | C345 C347 N361 T368 | C345-C370 WeakPolarHBondContact SG-CB 3.44Å; C347-C370 HydrophobicContact CB-CB 4.34Å; C347-C370 WeakPolarHBondContact SG-CB 3.38Å; C347-C370 PolarHBondContact SG-SG 2.71Å; N361-C370 VanDerWaalsContact C-SG 3.57Å; N361-C370 PolarHBondContact O-SG 2.03Å; T368-C370 PolarHBondContact O-N 3.32Å; T368-C370 PolarHBondContact O-SG 3.13Å | ||
| 371 | Q | 38.4 | Very low | 37.5 | Very low | 100 Ų | 100 | 80.3 Ų | 80.3 | 47% | 0.467 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 131.9 | 174 | -83.3 | -178.3 | -11.8 | 0 | 0 | 110.2 | C345 I346 F373 | C345-Q371 WeakPolarHBondContact CA-O 3.29Å; I346-Q371 PolarHBondContact N-O 3.34Å; I346-Q371 VanDerWaalsContact N-O 3.11Å; I346-Q371 PolarHBondContact O-N 3.38Å; Q371-F373 HydrophobicContact CB-CE1 4.2Å; Q371-F373 HydrophobicContact CB-CE2 3.99Å; Q371-F373 HydrophobicContact CB-CZ 3.58Å; Q371-F373 WeakPolarHBondContact O-CE2 3.38Å |
| 372 | S | 38.1 | Very low | 37.3 | Very low | 73 Ų | 73 | 80.4 Ų | 80.4 | 51% | 0.51 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 134.6 | 174.9 | 63.3 | 0 | 0 | 0 | 0 | 110.1 | A344 | A344-S372 CarbonylContact O-C 3.53Å; A344-S372 WeakPolarHBondContact O-CA 3.23Å |
| 373 | F | 35.7 | Very low | 37.3 | Very low | 70 Ų | 70 | 80.9 Ų | 80.9 | 31% | 0.307 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 132.1 | 178.4 | -48.2 | -82.8 | 0 | 0 | 0 | 109.7 | T343 A344 I346 Q371 | T343-F373 WeakPolarHBondContact CA-O 3.16Å; A344-F373 PolarHBondContact N-O 3.33Å; A344-F373 PolarHBondContact O-N 2.81Å; I346-F373 HydrophobicContact CB-CE2 3.96Å; I346-F373 HydrophobicContact CD1-CD2 4.21Å; I346-F373 HydrophobicContact CD1-CE2 3.8Å; I346-F373 HydrophobicContact CG1-CD2 4.26Å; I346-F373 HydrophobicContact CG1-CE2 3.85Å; Q371-F373 HydrophobicContact CB-CE1 4.2Å; Q371-F373 HydrophobicContact CB-CE2 3.99Å; Q371-F373 HydrophobicContact CB-CZ 3.58Å; Q371-F373 WeakPolarHBondContact O-CE2 3.38Å |
| 374 | S | 35 | Very low | 37.4 | Very low | 102 Ų | 102 | 84.6 Ų | 84.6 | 71% | 0.713 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 110.8 | 168.5 | 163.4 | 0 | 0 | 0 | 0 | 108.3 | ||
| 375 | L | 32 | Very low | 37.6 | Very low | 44 Ų | 44 | 85.3 Ų | 85.3 | 23% | 0.23 | 46% | 0.455 | C | S | . | . | trans | -104.8 | 135.7 | 174.8 | -79.5 | 161.6 | 0 | 0 | 0 | 110 | A344 S377 L379 L380 | A344-L375 HydrophobicContact CB-CD1 4.23Å; L375-S377 PolarHBondContact O-N 3.07Å; L375-L379 HydrophobicContact CD2-CB 4.3Å; L375-L380 HydrophobicContact CB-CB 4.07Å; L375-L380 HydrophobicContact CB-CD1 3.91Å; L375-L380 HydrophobicContact CD1-CD1 3.51Å; L375-L380 HydrophobicContact CG-CD1 4.35Å | ||
| 376 | N | 35 | Very low | 37.2 | Very low | 60 Ų | 60 | 86.1 Ų | 86.1 | 32% | 0.321 | 45% | 0.446 | S | S | . | . | trans | -57.9 | 136.9 | 170.1 | -149.7 | -19.1 | 0 | 0 | 0 | 108.4 | I378 L379 L380 | N376-I378 PolarHBondContact O-N 3.03Å; N376-L379 HydrophobicContact CB-CD1 4.27Å; N376-L379 WeakPolarHBondContact O-CB 3.3Å; N376-L379 PolarHBondContact O-N 3.39Å; N376-L380 PolarHBondContact O-N 2.84Å | ||
| 377 | S | 34.3 | Very low | 36.7 | Very low | 76 Ų | 76 | 86 Ų | 86 | 53% | 0.531 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -54.7 | -33.6 | -166.8 | 50 | 0 | 0 | 0 | 0 | 113.7 | L375 E381 | L375-S377 PolarHBondContact O-N 3.07Å; S377-E381 WeakPolarHBondContact O-CB 3.32Å; S377-E381 PolarHBondContact O-N 3.16Å |
| 378 | I | 33.9 | Very low | 36 | Very low | 105 Ų | 105 | 82.6 Ų | 82.6 | 54% | 0.538 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -71.4 | -39.7 | 178 | -61.4 | 170.5 | 0 | 0 | 0 | 111.9 | I325 N376 E381 F382 | I325-I378 HydrophobicContact CD1-CD1 4.04Å; N376-I378 PolarHBondContact O-N 3.03Å; I378-E381 PolarHBondContact O-N 3.33Å; I378-F382 WeakPolarHBondContact O-CB 3.35Å; I378-F382 PolarHBondContact O-N 2.9Å |
| 379 | L | 33.9 | Very low | 35.7 | Very low | 41 Ų | 41 | 85.2 Ų | 85.2 | 22% | 0.215 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -69.8 | -36.9 | 177 | -93.5 | 155.8 | 0 | 0 | 0 | 111.2 | L73 L375 N376 F382 Y383 | L73-L379 HydrophobicContact CD2-CD2 4.1Å; L375-L379 HydrophobicContact CD2-CB 4.3Å; N376-L379 HydrophobicContact CB-CD1 4.27Å; N376-L379 WeakPolarHBondContact O-CB 3.3Å; N376-L379 PolarHBondContact O-N 3.39Å; L379-F382 PolarHBondContact O-N 3.03Å; L379-Y383 WeakPolarHBondContact O-CB 3.29Å; L379-Y383 PolarHBondContact O-N 3.05Å |
| 380 | L | 38 | Very low | 35.2 | Very low | 16 Ų | 16 | 86.7 Ų | 86.7 | 8% | 0.084 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -67.4 | -41.4 | 173.6 | -163.8 | 82.7 | 0 | 0 | 0 | 111.2 | Q342 A344 L375 N376 F382 Y383 M384 | Q342-L380 HydrophobicContact CB-CD2 3.55Å; Q342-L380 HydrophobicContact CG-CD2 4.21Å; A344-L380 HydrophobicContact CB-CD1 4.26Å; L375-L380 HydrophobicContact CB-CB 4.07Å; L375-L380 HydrophobicContact CB-CD1 3.91Å; L375-L380 HydrophobicContact CD1-CD1 3.51Å; L375-L380 HydrophobicContact CG-CD1 4.35Å; N376-L380 PolarHBondContact O-N 2.84Å; L380-F382 VanDerWaalsContact C-N 3.34Å; L380-F382 PolarHBondContact O-N 2.89Å; L380-Y383 PolarHBondContact O-N 2.92Å; L380-M384 HydrophobicContact CG-CG 4.28Å; L380-M384 WeakPolarHBondContact O-CB 3.49Å; L380-M384 WeakPolarHBondContact O-CG 3.45Å; L380-M384 PolarHBondContact O-N 3.31Å |
| 381 | E | 37.5 | Very low | 34.7 | Very low | 107 Ų | 107 | 96.5 Ų | 96.5 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 176.3 | -157.3 | -167.9 | 151.9 | 0 | 0 | 111.7 | S377 I378 K385 | S377-E381 WeakPolarHBondContact O-CB 3.32Å; S377-E381 PolarHBondContact O-N 3.16Å; I378-E381 PolarHBondContact O-N 3.33Å; E381-K385 VanDerWaalsContact O-CB 3.25Å; E381-K385 WeakPolarHBondContact O-CB 3.4Å; E381-K385 PolarHBondContact O-N 3.23Å; E381-K385 IonicContact OE1-NZ 3.94Å; E381-K385 PolarHBondContact OE1-NZ 3.22Å |
| 382 | F | 36.9 | Very low | 34.1 | Very low | 104 Ų | 104 | 98.4 Ų | 98.4 | 46% | 0.456 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.7 | -44.7 | 175.6 | -163.1 | -92.3 | 0 | 0 | 0 | 111.9 | M71 I378 L379 L380 K385 H386 | M71-F382 HydrophobicContact SD-CE1 3.79Å; M71-F382 HydrophobicContact SD-CZ 4.46Å; I378-F382 WeakPolarHBondContact O-CB 3.35Å; I378-F382 PolarHBondContact O-N 2.9Å; L379-F382 PolarHBondContact O-N 3.03Å; L380-F382 VanDerWaalsContact C-N 3.34Å; L380-F382 PolarHBondContact O-N 2.89Å; F382-K385 PolarHBondContact O-N 3.28Å; F382-H386 AromaticContact CD1-CD2 3.77Å; F382-H386 AromaticContact CD2-CD2 3.86Å; F382-H386 AromaticContact CE1-CD2 3.62Å; F382-H386 AromaticContact CE2-CD2 3.72Å; F382-H386 AromaticContact CE2-NE2 3.62Å; F382-H386 AromaticContact CG-CD2 3.89Å; F382-H386 AromaticContact CZ-CD2 3.59Å; F382-H386 AromaticContact CZ-NE2 3.74Å; F382-H386 WeakPolarHBondContact O-CB 3.4Å; F382-H386 PolarHBondContact O-CD2 2.92Å; F382-H386 VanDerWaalsContact O-CD2 3.23Å; F382-H386 PolarHBondContact O-N 3Å |
| 383 | Y | 35.5 | Very low | 33.4 | Very low | 135 Ų | 135 | 102.3 Ų | 102.3 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 177.5 | -163.7 | -91.9 | 0 | 0 | 0 | 111.7 | L379 L380 H386 S387 | L379-Y383 WeakPolarHBondContact O-CB 3.29Å; L379-Y383 PolarHBondContact O-N 3.05Å; L380-Y383 PolarHBondContact O-N 2.92Å; Y383-H386 PolarHBondContact O-N 2.94Å; Y383-S387 VanDerWaalsContact O-CB 3.29Å; Y383-S387 WeakPolarHBondContact O-CB 3.35Å; Y383-S387 PolarHBondContact O-N 3.3Å |
| 384 | M | 42.6 | Very low | 32.9 | Very low | 99 Ų | 99 | 103.9 Ų | 103.9 | 49% | 0.488 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.5 | -39.6 | 175 | -72.7 | -91.8 | 163 | 0 | 0 | 112.1 | M355 L380 H386 | M355-M384 HydrophobicContact CE-CE 4.34Å; M355-M384 HydrophobicContact SD-CE 4.46Å; L380-M384 HydrophobicContact CG-CG 4.28Å; L380-M384 WeakPolarHBondContact O-CB 3.49Å; L380-M384 WeakPolarHBondContact O-CG 3.45Å; L380-M384 PolarHBondContact O-N 3.31Å; M384-H386 VanDerWaalsContact C-N 3.35Å; M384-H386 PolarHBondContact O-N 2.72Å |
| 385 | K | 40.9 | Very low | 32.6 | Very low | 146 Ų | 146 | 107.1 Ų | 107.1 | 64% | 0.635 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.9 | -27.7 | 176.6 | -92.1 | 172.2 | 171.4 | 157.7 | 0 | 114 | E381 F382 | E381-K385 VanDerWaalsContact O-CB 3.25Å; E381-K385 WeakPolarHBondContact O-CB 3.4Å; E381-K385 PolarHBondContact O-N 3.23Å; E381-K385 IonicContact OE1-NZ 3.94Å; E381-K385 PolarHBondContact OE1-NZ 3.22Å; F382-K385 PolarHBondContact O-N 3.28Å |
| 386 | H | 35 | Very low | 32.3 | Very low | 122 Ų | 122 | 112 Ų | 112 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -112.7 | -2.1 | -174.7 | -67.6 | -65.9 | 0 | 0 | 0 | 114.4 | F382 Y383 M384 | F382-H386 AromaticContact CD1-CD2 3.77Å; F382-H386 AromaticContact CD2-CD2 3.86Å; F382-H386 AromaticContact CE1-CD2 3.62Å; F382-H386 AromaticContact CE2-CD2 3.72Å; F382-H386 AromaticContact CE2-NE2 3.62Å; F382-H386 AromaticContact CG-CD2 3.89Å; F382-H386 AromaticContact CZ-CD2 3.59Å; F382-H386 AromaticContact CZ-NE2 3.74Å; F382-H386 WeakPolarHBondContact O-CB 3.4Å; F382-H386 PolarHBondContact O-CD2 2.92Å; F382-H386 VanDerWaalsContact O-CD2 3.23Å; F382-H386 PolarHBondContact O-N 3Å; Y383-H386 PolarHBondContact O-N 2.94Å; M384-H386 VanDerWaalsContact C-N 3.35Å; M384-H386 PolarHBondContact O-N 2.72Å |
| 387 | S | 30.8 | Very low | 31.9 | Very low | 55 Ų | 55 | 114.9 Ų | 114.9 | 39% | 0.385 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -68.6 | 136.9 | 168.8 | 79.4 | 0 | 0 | 0 | 0 | 109.8 | Y383 S389 | Y383-S387 VanDerWaalsContact O-CB 3.29Å; Y383-S387 WeakPolarHBondContact O-CB 3.35Å; Y383-S387 PolarHBondContact O-N 3.3Å; S387-S389 PolarHBondContact O-N 3.48Å; S387-S389 VanDerWaalsContact O-N 3.13Å |
| 388 | P | 28 | Very low | 31.7 | Very low | 110 Ų | 110 | 116.5 Ų | 116.5 | 71% | 0.714 | 60% | 0.601 | S | S | * | * | trans | -56.3 | 123.4 | 168.1 | -16.4 | 28 | 0 | 0 | 0 | 107.8 | I390 | P388-I390 VanDerWaalsContact C-N 3.33Å; P388-I390 PolarHBondContact O-N 3.07Å | ||
| 389 | S | 30.8 | Very low | 31.5 | Very low | 94 Ų | 94 | 117.9 Ų | 117.9 | 66% | 0.657 | 61% | 0.606 | S | S | * | * | trans | -53 | 96.8 | 173.3 | 157 | 0 | 0 | 0 | 0 | 109.5 | S387 R391 | S387-S389 PolarHBondContact O-N 3.48Å; S387-S389 VanDerWaalsContact O-N 3.13Å; S389-R391 PolarHBondContact O-N 3.23Å | ||
| 390 | I | 29.2 | Very low | 31.2 | Very low | 142 Ų | 142 | 125.6 Ų | 125.6 | 73% | 0.728 | 64% | 0.637 | S | S | * | * | trans | -72.5 | 80.9 | 163.9 | -57.2 | 176.4 | 0 | 0 | 0 | 105.1 | P388 N392 | P388-I390 VanDerWaalsContact C-N 3.33Å; P388-I390 PolarHBondContact O-N 3.07Å; I390-N392 VanDerWaalsContact C-N 3.35Å; I390-N392 PolarHBondContact O-N 3.46Å | ||
| 391 | R | 27.3 | Very low | 30.8 | Very low | 226 Ų | 226 | 132.4 Ų | 132.4 | 85% | 0.853 | 67% | 0.669 | S | S | * | * | trans | -67.3 | 102.1 | 168.9 | -104.8 | -177.1 | -172.5 | -162.8 | 1.1 | 106.6 | S389 N393 | S389-R391 PolarHBondContact O-N 3.23Å; R391-N393 PolarHBondContact O-N 2.81Å | ||
| 392 | N | 26.1 | Very low | 30.4 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 75% | 0.749 | 67% | 0.674 | S | S | * | * | trans | -46.6 | 129.1 | 162.5 | -84.1 | -26.6 | 0 | 0 | 0 | 109.6 | I390 S394 | I390-N392 VanDerWaalsContact C-N 3.35Å; I390-N392 PolarHBondContact O-N 3.46Å; N392-S394 PolarHBondContact O-N 2.66Å | ||
| 393 | N | 23.8 | Very low | 29.9 | Very low | 155 Ų | 155 | 135 Ų | 135 | 83% | 0.829 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -6 | 113 | 162.7 | -66.9 | -31 | 0 | 0 | 0 | 115.1 | R391 | R391-N393 PolarHBondContact O-N 2.81Š|
| 394 | S | 25.4 | Very low | 29.4 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 71% | 0.713 | 70% | 0.699 | S | S | * | * | 157.1 | 142.7 | 128.9 | 54.9 | 0 | 0 | 0 | 0 | 111.6 | N392 | N392-S394 PolarHBondContact O-N 2.66Š| |||
| 395 | Q | 27.7 | Very low | 28.6 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 80% | 0.799 | 71% | 0.709 | S | S | * | * | trans | 74.1 | 99.9 | 154.4 | -69.1 | 171.6 | -2 | 0 | 0 | 118.9 | ||||
| 396 | N | 24.9 | Very low | 27.8 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | 61.5 | 130.2 | 119.3 | -80.5 | -4 | 0 | 0 | 0 | 120.3 | |||||
| 397 | T | 27.4 | Very low | 27.3 | Very low | 121 Ų | 121 | 144 Ų | 144 | 74% | 0.742 | 73% | 0.732 | S | S | * | * | trans | 80.8 | 139.1 | 151.6 | 63.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 398 | T | 30.2 | Very low | 27 | Very low | 110 Ų | 110 | 146 Ų | 146 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | cis | -160.2 | 165.8 | 10.7 | 13.4 | 0 | 0 | 0 | 0 | 110.4 | K400 | T398-K400 PolarHBondContact O-N 2.72Š| ||
| 399 | E | 29.6 | Very low | 26.8 | Very low | 135 Ų | 135 | 147.2 Ų | 147.2 | 63% | 0.631 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -59.3 | 1.9 | -160.2 | -69.5 | 174.9 | 131.2 | 0 | 0 | 119.3 | Q401 R402 | E399-Q401 VanDerWaalsContact C-N 3.35Å; E399-R402 IonicContact OE1-CZ 3.91Å; E399-R402 IonicContact OE1-NH1 3.98Å; E399-R402 PolarHBondContact OE1-NH1 2.81Å; E399-R402 IonicContact OE1-NH2 2.75Å |
| 400 | K | 28.2 | Very low | 26.5 | Very low | 202 Ų | 202 | 147.8 Ų | 147.8 | 88% | 0.878 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -81.3 | -8.8 | 175.2 | -89.7 | -179.6 | 175.4 | 176.4 | 0 | 114.8 | T398 | T398-K400 PolarHBondContact O-N 2.72Š|
| 401 | Q | 29.8 | Very low | 26.3 | Very low | 160 Ų | 160 | 152.1 Ų | 152.1 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -89.6 | 2.2 | 171.4 | -74.2 | -177.3 | -21.2 | 0 | 0 | 113.7 | E399 S403 | E399-Q401 VanDerWaalsContact C-N 3.35Å; Q401-S403 VanDerWaalsContact C-N 3.34Å; Q401-S403 PolarHBondContact O-N 3.39Å |
| 402 | R | 27.8 | Very low | 26.2 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 60% | 0.596 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -75.6 | -11.8 | -179.9 | -80.6 | -174.3 | -179.5 | 155.7 | 5.3 | 114.9 | E399 | E399-R402 IonicContact OE1-CZ 3.91Å; E399-R402 IonicContact OE1-NH1 3.98Å; E399-R402 PolarHBondContact OE1-NH1 2.81Å; E399-R402 IonicContact OE1-NH2 2.75Å |
| 403 | S | 26.2 | Very low | 26.1 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -88.3 | -3.1 | 179.1 | 49.6 | 0 | 0 | 0 | 0 | 115.1 | Q401 | Q401-S403 VanDerWaalsContact C-N 3.34Å; Q401-S403 PolarHBondContact O-N 3.39Å |
| 404 | L | 26.3 | Very low | 26.1 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -100.2 | 6.7 | 169.8 | -93 | 106.3 | 0 | 0 | 0 | 113.7 | I406 | L404-I406 VanDerWaalsContact C-N 3.29Å; L404-I406 PolarHBondContact O-N 3.35Å |
| 405 | K | 25.6 | Very low | 26.1 | Very low | 158 Ų | 158 | 147 Ų | 147 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 14.1 | -172.5 | -107 | -177.8 | 177.8 | -173.5 | 0 | 116.3 | ||
| 406 | I | 24.6 | Very low | 25.9 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -6.2 | 176.1 | -61.4 | 178.7 | 0 | 0 | 0 | 112.6 | L404 | L404-I406 VanDerWaalsContact C-N 3.29Å; L404-I406 PolarHBondContact O-N 3.35Å |
| 407 | Y | 24.8 | Very low | 25.8 | Very low | 228 Ų | 228 | 140.4 Ų | 140.4 | 89% | 0.894 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -106.3 | 66 | 171.6 | -74.1 | -83.5 | 0 | 0 | 0 | 111.3 | ||
| 408 | S | 23.6 | Very low | 25.6 | Very low | 97 Ų | 97 | 140.4 Ų | 140.4 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | trans | -156 | 60.6 | 175.6 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 409 | T | 23.5 | Very low | 25.4 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 84% | 0.84 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -157.8 | 68.7 | 159.8 | 49.4 | 0 | 0 | 0 | 0 | 110.1 | ||
| 410 | S | 25.2 | Very low | 25.1 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -171.9 | 100.3 | 157.6 | 53 | 0 | 0 | 0 | 0 | 110 | ||
| 411 | Y | 24.6 | Very low | 24.8 | Very low | 232 Ų | 232 | 138.5 Ų | 138.5 | 91% | 0.91 | 73% | 0.727 | S | S | * | * | trans | 39.4 | 90.8 | 151.8 | -69 | -88.6 | 0 | 0 | 0 | 117.2 | S413 | Y411-S413 PolarHBondContact O-N 2.69Š| ||
| 412 | G | 24.4 | Very low | 24.6 | Very low | 61 Ų | 61 | 138.5 Ų | 138.5 | 63% | 0.629 | 73% | 0.731 | S | S | * | * | trans | -66.4 | 125 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y414 | G412-Y414 WeakPolarHBondContact O-CD2 3.22Å; G412-Y414 PolarHBondContact O-N 3.2Å; G412-Y414 VanDerWaalsContact O-N 3.11Å | ||
| 413 | S | 25.1 | Very low | 24.5 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | trans | -65 | 105.5 | 173.5 | -49.5 | 0 | 0 | 0 | 0 | 109.2 | Y411 I415 | Y411-S413 PolarHBondContact O-N 2.69Å; S413-I415 PolarHBondContact O-N 3.11Å | ||
| 414 | Y | 23.2 | Very low | 24.4 | Very low | 184 Ų | 184 | 140.5 Ų | 140.5 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | -65.9 | 128.9 | 169.6 | -66.8 | -90.3 | 0 | 0 | 0 | 109.1 | G412 C416 | G412-Y414 WeakPolarHBondContact O-CD2 3.22Å; G412-Y414 PolarHBondContact O-N 3.2Å; G412-Y414 VanDerWaalsContact O-N 3.11Å; Y414-C416 PolarHBondContact O-N 3.43Å | ||
| 415 | I | 25.1 | Very low | 24.4 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | trans | -82 | 100.7 | 166.8 | -62.8 | 172 | 0 | 0 | 0 | 106.3 | S413 | S413-I415 PolarHBondContact O-N 3.11Š| ||
| 416 | C | 23.2 | Very low | 24.3 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 66% | 0.655 | 75% | 0.746 | S | S | * | * | trans | -86.8 | 123.1 | 171.9 | -72.8 | 0 | 0 | 0 | 0 | 109.8 | Y414 T418 | Y414-C416 PolarHBondContact O-N 3.43Å; C416-T418 PolarHBondContact O-N 3.09Å | ||
| 417 | P | 24.2 | Very low | 24.4 | Very low | 82 Ų | 82 | 139 Ų | 139 | 53% | 0.532 | 75% | 0.75 | S | S | . | * | trans | -64.2 | 120 | 166 | 25.3 | -29.1 | 0 | 0 | 0 | 108.9 | F419 | P417-F419 HydrophobicContact CB-CE2 4.08Å; P417-F419 HydrophobicContact CB-CZ 4.02Å; P417-F419 HydrophobicContact CG-CE2 3.9Å; P417-F419 HydrophobicContact CG-CZ 4.02Å | ||
| 418 | T | 23.5 | Very low | 24.3 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | trans | -88 | 107.9 | 171.5 | -19.9 | 0 | 0 | 0 | 0 | 107.8 | C416 | C416-T418 PolarHBondContact O-N 3.09Š| ||
| 419 | F | 24.3 | Very low | 24.2 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 50% | 0.5 | 75% | 0.748 | S | S | . | * | trans | -82.9 | 119.7 | 177 | -63.5 | -77.9 | 0 | 0 | 0 | 110.3 | P417 | P417-F419 HydrophobicContact CB-CE2 4.08Å; P417-F419 HydrophobicContact CB-CZ 4.02Å; P417-F419 HydrophobicContact CG-CE2 3.9Å; P417-F419 HydrophobicContact CG-CZ 4.02Å | ||
| 420 | Y | 23.6 | Very low | 24.1 | Very low | 190 Ų | 190 | 137.7 Ų | 137.7 | 75% | 0.745 | 75% | 0.748 | S | S | * | * | trans | -100.2 | 108 | 160.2 | -79.7 | -85 | 0 | 0 | 0 | 107.9 | L422 | Y420-L422 PolarHBondContact O-N 3.06Š| ||
| 421 | S | 23.3 | Very low | 24.1 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | -69.3 | 125 | 166.3 | 171.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 422 | L | 24 | Very low | 23.9 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | trans | -105.7 | 48 | 176.4 | -151.9 | 94.9 | 0 | 0 | 0 | 110.2 | Y420 N424 | Y420-L422 PolarHBondContact O-N 3.06Å; L422-N424 PolarHBondContact O-N 2.98Å | ||
| 423 | D | 25.8 | Very low | 23.9 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | -88.1 | 90.6 | 169.7 | -83.3 | -26 | 0 | 0 | 0 | 110.5 | S425 | D423-S425 PolarHBondContact O-N 3.33Š| ||
| 424 | N | 25.5 | Very low | 23.8 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 90% | 0.904 | 75% | 0.75 | S | S | * | * | trans | -70.9 | 79.5 | 158.9 | -93.4 | -21.6 | 0 | 0 | 0 | 108.9 | L422 | L422-N424 PolarHBondContact O-N 2.98Š| ||
| 425 | S | 25.8 | Very low | 23.7 | Very low | 94 Ų | 94 | 136.1 Ų | 136.1 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | trans | -134.2 | 111.7 | 160.8 | 78.8 | 0 | 0 | 0 | 0 | 110.8 | D423 K427 | D423-S425 PolarHBondContact O-N 3.33Å; S425-K427 PolarHBondContact O-N 3.24Å | ||
| 426 | T | 24.1 | Very low | 23.5 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 83% | 0.828 | 75% | 0.75 | S | S | * | * | trans | -15.2 | 107.1 | 157.9 | 50.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 427 | K | 25 | Very low | 23.5 | Very low | 202 Ų | 202 | 140.6 Ų | 140.6 | 88% | 0.878 | 76% | 0.756 | S | S | * | * | trans | 177.7 | 129.5 | 130.9 | -97.6 | 164.1 | -175.9 | -177.1 | 0 | 109.2 | S425 | S425-K427 PolarHBondContact O-N 3.24Š| ||
| 428 | S | 22.4 | Very low | 23.4 | Very low | 97 Ų | 97 | 144.9 Ų | 144.9 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | -56 | 132.5 | 166.8 | 53.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 429 | D | 23.4 | Very low | 23.5 | Very low | 159 Ų | 159 | 146.6 Ų | 146.6 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | -144.4 | 121 | 140.2 | -91.5 | -35.5 | 0 | 0 | 0 | 109.5 | ||||
| 430 | H | 21.3 | Very low | 23.3 | Very low | 180 Ų | 180 | 145 Ų | 145 | 83% | 0.833 | 77% | 0.773 | S | S | * | * | trans | -63.2 | 129.2 | 170.7 | -73.5 | -83.5 | 0 | 0 | 0 | 109.3 | ||||
| 431 | I | 24.1 | Very low | 23.3 | Very low | 165 Ų | 165 | 145.8 Ų | 145.8 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -126.2 | 110.9 | 150.1 | -60.7 | -178.7 | 0 | 0 | 0 | 107.7 | ||||
| 432 | A | 21.4 | Very low | 23.3 | Very low | 87 Ų | 87 | 145.4 Ų | 145.4 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | trans | -85.3 | 128.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 433 | T | 23.6 | Very low | 23.3 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | trans | -172.6 | 121.6 | 139.2 | 29.2 | 0 | 0 | 0 | 0 | 111 | E435 | T433-E435 PolarHBondContact O-N 3.26Š| ||
| 434 | V | 22.5 | Very low | 23.2 | Very low | 138 Ų | 138 | 145.8 Ų | 145.8 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -66.9 | 107.5 | 161.5 | 173.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 435 | E | 22.2 | Very low | 23.1 | Very low | 156 Ų | 156 | 143 Ų | 143 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | trans | -117.3 | 110.7 | 161.4 | -82.6 | -164.3 | 160.7 | 0 | 0 | 110.3 | T433 F437 | T433-E435 PolarHBondContact O-N 3.26Å; E435-F437 PolarHBondContact O-N 2.85Å | ||
| 436 | Q | 21.5 | Very low | 23 | Very low | 163 Ų | 163 | 148 Ų | 148 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -65.6 | 106.3 | 171 | -69.7 | 173.5 | -18.1 | 0 | 0 | 109.8 | K438 | Q436-K438 PolarHBondContact O-N 3.44Š| ||
| 437 | F | 22.6 | Very low | 23 | Very low | 178 Ų | 178 | 146.5 Ų | 146.5 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | -83.9 | 93.7 | 160.8 | -87.1 | -86.8 | 0 | 0 | 0 | 110.2 | E435 L439 | E435-F437 PolarHBondContact O-N 2.85Å; F437-L439 PolarHBondContact O-N 3.22Å | ||
| 438 | K | 21.6 | Very low | 23 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | -70.4 | 101.8 | 161.9 | -92.3 | 177 | 173.6 | 170.1 | 0 | 109.3 | Q436 S440 | Q436-K438 PolarHBondContact O-N 3.44Å; K438-S440 VanDerWaalsContact C-N 3.31Å; K438-S440 PolarHBondContact O-N 3.15Å | ||
| 439 | L | 25.1 | Very low | 23.1 | Very low | 157 Ų | 157 | 143.5 Ų | 143.5 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -96.7 | 59.9 | 160.7 | -82.1 | 162.4 | 0 | 0 | 0 | 110.2 | F437 | F437-L439 PolarHBondContact O-N 3.22Š| ||
| 440 | S | 21.5 | Very low | 23.1 | Very low | 82 Ų | 82 | 140.3 Ų | 140.3 | 57% | 0.573 | 77% | 0.773 | S | S | * | * | trans | -96.3 | 96.5 | 161.1 | 58 | 0 | 0 | 0 | 0 | 107.2 | K438 | K438-S440 VanDerWaalsContact C-N 3.31Å; K438-S440 PolarHBondContact O-N 3.15Å | ||
| 441 | K | 23.3 | Very low | 23.2 | Very low | 206 Ų | 206 | 138.7 Ų | 138.7 | 90% | 0.896 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 162 | 7.6 | 157.6 | -92 | 167.6 | -176.1 | -171.8 | 0 | 117 | ||
| 442 | C | 23.4 | Very low | 23.2 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 63% | 0.628 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -111.4 | 144.1 | 166.1 | -62.8 | 0 | 0 | 0 | 0 | 108.1 | ||
| 443 | F | 24.6 | Very low | 23.3 | Very low | 213 Ų | 213 | 138.2 Ų | 138.2 | 93% | 0.934 | 76% | 0.76 | S | S | * | * | trans | 87.1 | 56.1 | -173.2 | -45.3 | -68.2 | 0 | 0 | 0 | 115.6 | ||||
| 444 | A | 21.9 | Very low | 23.2 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -83 | 145.9 | 147.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 445 | S | 24 | Very low | 23.3 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 90.6 | 92.3 | 169 | 68.9 | 0 | 0 | 0 | 0 | 119.8 | ||
| 446 | F | 24 | Very low | 23.3 | Very low | 200 Ų | 200 | 136 Ų | 136 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | trans | 70.7 | 155 | 138.6 | -73.1 | -83 | 0 | 0 | 0 | 120.8 | ||||
| 447 | P | 24.7 | Very low | 23.3 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | -135.6 | 160.4 | -60.8 | 34.2 | -15 | 0 | 0 | 0 | 114.5 | |||||
| 448 | S | 23.6 | Very low | 23.3 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | 74.6 | 110.4 | 164.6 | 74.5 | 0 | 0 | 0 | 0 | 118.7 | S450 | S448-S450 PolarHBondContact O-N 3.25Å; S448-S450 VanDerWaalsContact O-N 3.15Å | ||
| 449 | S | 25.1 | Very low | 23.4 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 88% | 0.881 | 75% | 0.748 | S | S | * | * | trans | -81 | 79.8 | -176.6 | 57.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 450 | S | 23.5 | Very low | 23.3 | Very low | 92 Ų | 92 | 134.3 Ų | 134.3 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | trans | -96.2 | 139.9 | 136 | 51.6 | 0 | 0 | 0 | 0 | 106.6 | S448 | S448-S450 PolarHBondContact O-N 3.25Å; S448-S450 VanDerWaalsContact O-N 3.15Å | ||
| 451 | D | 24.3 | Very low | 23.3 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | trans | 84.5 | 143.2 | 178.6 | -53.5 | -38.1 | 0 | 0 | 0 | 117.5 | ||||
| 452 | M | 22.6 | Very low | 23.4 | Very low | 174 Ų | 174 | 134 Ų | 134 | 86% | 0.857 | 74% | 0.735 | S | S | * | * | trans | 97.1 | 84.9 | 176.7 | -53.1 | -60.9 | -177 | 0 | 0 | 116.9 | ||||
| 453 | S | 23.6 | Very low | 23.5 | Very low | 68 Ų | 68 | 138.8 Ų | 138.8 | 48% | 0.476 | 75% | 0.752 | S | S | . | * | trans | -137.5 | 88.5 | 138 | 65.7 | 0 | 0 | 0 | 0 | 109 | T246 V455 | T246-S453 PolarHBondContact OG1-OG 2.68Å; S453-V455 PolarHBondContact O-N 3.33Å | ||
| 454 | S | 22.2 | Very low | 23.4 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | trans | -68.1 | 109.6 | 161.6 | 19.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 455 | V | 23.5 | Very low | 23.5 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 56% | 0.564 | 74% | 0.742 | S | S | * | * | trans | -114.5 | 114.3 | 169 | 179.5 | 0 | 0 | 0 | 0 | 108.4 | S453 Y457 | S453-V455 PolarHBondContact O-N 3.33Å; V455-Y457 HydrophobicContact CG1-CE2 4.46Å | ||
| 456 | F | 21.7 | Very low | 23.5 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | -58.2 | 131.8 | 176.2 | -77.5 | -105.2 | 0 | 0 | 0 | 111.7 | ||||
| 457 | Y | 23.3 | Very low | 23.5 | Very low | 210 Ų | 210 | 135.2 Ų | 135.2 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | trans | -123.5 | 104.2 | 156.3 | -84.5 | -85.9 | 0 | 0 | 0 | 108.3 | V455 C459 | V455-Y457 HydrophobicContact CG1-CE2 4.46Å; Y457-C459 PolarHBondContact O-N 3.31Å; Y457-C459 VanDerWaalsContact O-N 3.09Å | ||
| 458 | L | 21.9 | Very low | 23.4 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | -62.3 | 105.1 | 164.6 | -98.7 | 122.3 | 0 | 0 | 0 | 108.1 | ||||
| 459 | C | 24.2 | Very low | 23.4 | Very low | 108 Ų | 108 | 139 Ų | 139 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | trans | -77.2 | 120.6 | 159.8 | -73.9 | 0 | 0 | 0 | 0 | 107.7 | Y457 L461 | Y457-C459 PolarHBondContact O-N 3.31Å; Y457-C459 VanDerWaalsContact O-N 3.09Å; C459-L461 PolarHBondContact O-N 3.24Å; C459-L461 VanDerWaalsContact O-N 3.13Å | ||
| 460 | K | 22.3 | Very low | 23.2 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 74% | 0.739 | 72% | 0.724 | S | S | * | * | trans | -60.7 | 109.8 | 170.7 | -150.3 | 179.1 | -174.4 | -171.2 | 0 | 107.4 | Y462 | K460-Y462 HydrophobicContact CD-CE2 4.44Å; K460-Y462 PolarHBondContact O-N 3.46Å | ||
| 461 | L | 22.3 | Very low | 23.2 | Very low | 136 Ų | 136 | 143.6 Ų | 143.6 | 71% | 0.712 | 73% | 0.73 | S | S | * | * | trans | -69.5 | 120.9 | 169.8 | -129 | 97.5 | 0 | 0 | 0 | 107.3 | C459 | C459-L461 PolarHBondContact O-N 3.24Å; C459-L461 VanDerWaalsContact O-N 3.13Å | ||
| 462 | Y | 25.2 | Very low | 23.1 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 57% | 0.565 | 73% | 0.725 | S | S | * | * | trans | -87.5 | 125.4 | 162.6 | -77.6 | -99.3 | 0 | 0 | 0 | 106.9 | K460 | K460-Y462 HydrophobicContact CD-CE2 4.44Å; K460-Y462 PolarHBondContact O-N 3.46Å | ||
| 463 | I | 24.5 | Very low | 23.2 | Very low | 194 Ų | 194 | 140.6 Ų | 140.6 | 100% | 0.995 | 71% | 0.713 | S | S | * | * | trans | -78.3 | 0 | 170.4 | -62.7 | 173.3 | 0 | 0 | 0 | 108.3 | D77 | D77-I463 HydrophobicContact CB-CG2 4.49Š|
Retrieved 463 of 463 residues in 64.9 ms
(Link to these results)