| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.7 | Very low | 36.5 | Very low | 232 Ų | 232 | 141.2 Ų | 141.2 | 100% | 1.143 | 80% | 0.801 | S | S | * | * | 0 | 137.7 | 0 | -78.3 | 134.6 | 71.6 | 0 | 0 | 108.3 | |||||
| 2 | V | 35.3 | Very low | 36.2 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 78% | 0.782 | 81% | 0.81 | S | S | * | * | trans | 46.3 | 105.4 | 148.4 | -169.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 3 | N | 37.2 | Very low | 35.9 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | 67.3 | 146 | 69.4 | -69.3 | 8.7 | 0 | 0 | 0 | 113.7 | |||||
| 4 | S | 38.6 | Very low | 35.7 | Very low | 110 Ų | 110 | 146.2 Ų | 146.2 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | cis | -163.8 | 163.3 | -2.4 | -109.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 5 | G | 33.1 | Very low | 35.6 | Very low | 71 Ų | 71 | 146.1 Ų | 146.1 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | 87.9 | 157.9 | 147.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 6 | E | 35 | Very low | 35.7 | Very low | 189 Ų | 189 | 143.8 Ų | 143.8 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | cis | -153.6 | 153.4 | -10.4 | -160.7 | 168.5 | 144.9 | 0 | 0 | 111.1 | ||||
| 7 | E | 42.2 | Very low | 35.7 | Very low | 176 Ų | 176 | 145.2 Ų | 145.2 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -93.5 | 126.1 | -178.4 | 179.4 | -167 | 158.3 | 0 | 0 | 111.1 | ||||
| 8 | T | 36 | Very low | 35.9 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | trans | -148.7 | 113.8 | 160.4 | 25.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 9 | A | 39.8 | Very low | 35.8 | Very low | 79 Ų | 79 | 148.1 Ų | 148.1 | 65% | 0.653 | 80% | 0.803 | S | S | * | * | trans | -95.4 | 138.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 10 | K | 34.9 | Very low | 35.6 | Very low | 190 Ų | 190 | 150.3 Ų | 150.3 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -170.5 | 127.5 | 151.6 | -100.5 | 136 | -162.6 | 167.1 | 0 | 113.7 | ||||
| 11 | T | 33.3 | Very low | 35.5 | Very low | 103 Ų | 103 | 148.7 Ų | 148.7 | 63% | 0.632 | 80% | 0.8 | S | S | * | * | trans | 47.3 | 88.4 | 136.2 | -40.8 | 0 | 0 | 0 | 0 | 118.6 | L13 | T11-L13 HydrophobicContact CG2-CD2 3.66Å; T11-L13 HydrophobicContact CG2-CG 3.99Å; T11-L13 PolarHBondContact O-N 3.36Å | ||
| 12 | T | 33.2 | Very low | 35.3 | Very low | 148 Ų | 148 | 146.5 Ų | 146.5 | 91% | 0.908 | 78% | 0.78 | S | S | * | * | trans | -69.5 | 110.5 | 151.6 | -52.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 13 | L | 32.5 | Very low | 35.2 | Very low | 135 Ų | 135 | 148 Ų | 148 | 71% | 0.707 | 78% | 0.776 | S | S | * | * | trans | -75.1 | 134.6 | 178.6 | -73.9 | 171.6 | 0 | 0 | 0 | 111.4 | T11 L15 | T11-L13 HydrophobicContact CG2-CD2 3.66Å; T11-L13 HydrophobicContact CG2-CG 3.99Å; T11-L13 PolarHBondContact O-N 3.36Å; L13-L15 PolarHBondContact O-N 2.65Å | ||
| 14 | F | 32.4 | Very low | 34.9 | Very low | 211 Ų | 211 | 145.6 Ų | 145.6 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | trans | -74.6 | 111.3 | 169.4 | -140.9 | -99.6 | 0 | 0 | 0 | 108.3 | ||||
| 15 | L | 34.9 | Very low | 34.5 | Very low | 145 Ų | 145 | 147.6 Ų | 147.6 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -88.1 | 123.6 | 175.9 | -71.8 | 173.6 | 0 | 0 | 0 | 110.2 | L13 | L13-L15 PolarHBondContact O-N 2.65Š| ||
| 16 | P | 36.7 | Very low | 34.5 | Very low | 109 Ų | 109 | 150.4 Ų | 150.4 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | trans | -68.3 | 140.9 | 166.8 | -16.1 | 31.1 | 0 | 0 | 0 | 111 | E18 | P16-E18 PolarHBondContact O-N 2.74Š| ||
| 17 | L | 35.7 | Very low | 34.8 | Very low | 167 Ų | 167 | 147.5 Ų | 147.5 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -84.2 | 100.7 | 170.8 | -95.8 | 71.6 | 0 | 0 | 0 | 110.5 | F19 | L17-F19 PolarHBondContact O-N 3.36Š| ||
| 18 | E | 40.4 | Very low | 34.2 | Very low | 174 Ų | 174 | 147.4 Ų | 147.4 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -83.1 | 74.4 | 175.1 | -87.4 | -76.1 | 174.7 | 0 | 0 | 112.3 | P16 | P16-E18 PolarHBondContact O-N 2.74Š| ||
| 19 | F | 32.2 | Very low | 34 | Very low | 172 Ų | 172 | 149.3 Ų | 149.3 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | -141.5 | 124.9 | 172.8 | -99 | -115.1 | 0 | 0 | 0 | 108 | L17 | L17-F19 PolarHBondContact O-N 3.36Š| ||
| 20 | W | 33.3 | Very low | 34.2 | Very low | 192 Ų | 192 | 150.3 Ų | 150.3 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | -143.4 | 145.2 | 8.2 | -113.2 | 4.8 | 0 | 0 | 0 | 110.8 | Y22 | W20-Y22 HydrophobicContact CD2-CD2 4.03Å; W20-Y22 HydrophobicContact CD2-CE2 4.09Å; W20-Y22 AromaticContact CE3-CD2 3.64Å; W20-Y22 HydrophobicContact CE3-CD2 3.64Å; W20-Y22 AromaticContact CE3-CE2 3.7Å; W20-Y22 HydrophobicContact CE3-CE2 3.7Å; W20-Y22 AromaticContact CH2-CE2 3.89Å; W20-Y22 HydrophobicContact CH2-CE2 3.89Å; W20-Y22 HydrophobicContact CZ2-CE2 4.24Å; W20-Y22 AromaticContact CZ3-CD2 3.99Å; W20-Y22 HydrophobicContact CZ3-CD2 3.99Å; W20-Y22 AromaticContact CZ3-CE2 3.59Å; W20-Y22 HydrophobicContact CZ3-CE2 3.59Å | ||
| 21 | S | 33.8 | Very low | 34.6 | Very low | 116 Ų | 116 | 149.9 Ų | 149.9 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -113.3 | 99.4 | 167.4 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | K23 | S21-K23 PolarHBondContact O-N 3.31Š| ||
| 22 | Y | 30.7 | Very low | 35 | Very low | 187 Ų | 187 | 151.9 Ų | 151.9 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -88.6 | 88.3 | -180 | -122.2 | -89.5 | 0 | 0 | 0 | 111.1 | W20 A24 | W20-Y22 HydrophobicContact CD2-CD2 4.03Å; W20-Y22 HydrophobicContact CD2-CE2 4.09Å; W20-Y22 AromaticContact CE3-CD2 3.64Å; W20-Y22 HydrophobicContact CE3-CD2 3.64Å; W20-Y22 AromaticContact CE3-CE2 3.7Å; W20-Y22 HydrophobicContact CE3-CE2 3.7Å; W20-Y22 AromaticContact CH2-CE2 3.89Å; W20-Y22 HydrophobicContact CH2-CE2 3.89Å; W20-Y22 HydrophobicContact CZ2-CE2 4.24Å; W20-Y22 AromaticContact CZ3-CD2 3.99Å; W20-Y22 HydrophobicContact CZ3-CD2 3.99Å; W20-Y22 AromaticContact CZ3-CE2 3.59Å; W20-Y22 HydrophobicContact CZ3-CE2 3.59Å; Y22-A24 PolarHBondContact O-N 2.67Å; Y22-A24 VanDerWaalsContact O-N 3.08Å | ||
| 23 | K | 33 | Very low | 35.2 | Very low | 161 Ų | 161 | 149.7 Ų | 149.7 | 70% | 0.7 | 78% | 0.781 | S | S | * | * | trans | -76.1 | 90.3 | 179.3 | -167.7 | -164.9 | -174.9 | -151 | 0 | 111.2 | S21 E25 | S21-K23 PolarHBondContact O-N 3.31Å; K23-E25 VanDerWaalsContact CE-OE2 3.23Å; K23-E25 WeakPolarHBondContact CE-OE2 3.47Å; K23-E25 IonicContact NZ-OE2 2.69Å; K23-E25 PolarHBondContact NZ-OE2 2.88Å | ||
| 24 | A | 31.2 | Very low | 35.6 | Very low | 93 Ų | 93 | 153.3 Ų | 153.3 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -83.1 | 119.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y22 | Y22-A24 PolarHBondContact O-N 2.67Å; Y22-A24 VanDerWaalsContact O-N 3.08Å | ||
| 25 | E | 31.1 | Very low | 36.1 | Very low | 151 Ų | 151 | 147 Ų | 147 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | -108.3 | 112.3 | -172.7 | -164.5 | 160.7 | 147.7 | 0 | 0 | 111.4 | K23 | K23-E25 VanDerWaalsContact CE-OE2 3.23Å; K23-E25 WeakPolarHBondContact CE-OE2 3.47Å; K23-E25 IonicContact NZ-OE2 2.69Å; K23-E25 PolarHBondContact NZ-OE2 2.88Å | ||
| 26 | V | 32.7 | Very low | 36.3 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -139 | 136.2 | 178.2 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 27 | P | 40.1 | Very low | 36.5 | Very low | 128 Ų | 128 | 151.3 Ų | 151.3 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | trans | -79.6 | 164.5 | -154.1 | 29 | -36.8 | 0 | 0 | 0 | 117.1 | ||||
| 28 | H | 31.2 | Very low | 36.7 | Very low | 174 Ų | 174 | 147 Ų | 147 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | -53.8 | 133 | -174.6 | -120.9 | -85.3 | 0 | 0 | 0 | 116.1 | ||||
| 29 | L | 31 | Very low | 36.7 | Very low | 170 Ų | 170 | 146.7 Ų | 146.7 | 89% | 0.89 | 75% | 0.754 | S | S | * | * | trans | -142.5 | 131.2 | 144.2 | -97.6 | 176.6 | 0 | 0 | 0 | 109.1 | ||||
| 30 | P | 44.8 | Very low | 37 | Very low | 100 Ų | 100 | 146 Ų | 146 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | trans | -108.1 | 105.2 | -166.5 | 37.1 | -29.6 | 0 | 0 | 0 | 114.7 | ||||
| 31 | E | 43.3 | Very low | 37.6 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 84% | 0.841 | 74% | 0.735 | S | S | * | * | trans | -156.4 | 175.8 | 159.4 | -130.2 | -172.6 | 133.3 | 0 | 0 | 113.8 | A33 | E31-A33 PolarHBondContact O-N 2.97Š| ||
| 32 | L | 39.8 | Very low | 38.2 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | 74.2 | 7.3 | 174.3 | -55.1 | -178.8 | 0 | 0 | 0 | 119.5 | Y34 | L32-Y34 PolarHBondContact O-N 2.65Š| ||
| 33 | A | 39.3 | Very low | 38.8 | Very low | 102 Ų | 102 | 139.2 Ų | 139.2 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 4.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | E31 | E31-A33 PolarHBondContact O-N 2.97Š|
| 34 | Y | 39.1 | Very low | 39.3 | Very low | 212 Ų | 212 | 136 Ų | 136 | 83% | 0.831 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | -2.8 | -168.3 | -101.3 | -89.6 | 0 | 0 | 0 | 116.3 | L32 | L32-Y34 PolarHBondContact O-N 2.65Š|
| 35 | S | 44.5 | Very low | 40.4 | Very low | 79 Ų | 79 | 134.1 Ų | 134.1 | 55% | 0.552 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -86.8 | -37.3 | -172.6 | -157.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 36 | T | 37.9 | Very low | 41.4 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 74% | 0.736 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -74.5 | -33.1 | -168.5 | -35.3 | 0 | 0 | 0 | 0 | 113.6 | S38 | T36-S38 VanDerWaalsContact C-N 3.32Å; T36-S38 PolarHBondContact O-N 3.44Å |
| 37 | R | 42.2 | Very low | 42.4 | Very low | 224 Ų | 224 | 132.3 Ų | 132.3 | 85% | 0.845 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -62.6 | -35.6 | 177.8 | -82.8 | -169.7 | 172.4 | -157.7 | -1.6 | 112.8 | K39 A41 | R37-K39 VanDerWaalsContact C-N 3.33Å; R37-K39 PolarHBondContact O-N 2.92Å; R37-A41 PolarHBondContact O-N 3.33Å; R37-A41 VanDerWaalsContact O-N 3.1Å |
| 38 | S | 38.6 | Very low | 44 | Very low | 77 Ų | 77 | 128.7 Ų | 128.7 | 54% | 0.538 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -68.6 | -25.8 | -173 | -55.6 | 0 | 0 | 0 | 0 | 114.4 | T36 A41 E42 | T36-S38 VanDerWaalsContact C-N 3.32Å; T36-S38 PolarHBondContact O-N 3.44Å; S38-A41 WeakPolarHBondContact O-CB 3.3Å; S38-E42 PolarHBondContact O-N 3.24Å |
| 39 | K | 41 | Very low | 46.6 | Very low | 166 Ų | 166 | 121.5 Ų | 121.5 | 72% | 0.722 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -85.1 | -36 | -179.7 | -67.2 | -172.5 | 177.6 | -177.3 | 0 | 113.5 | R37 A41 E42 | R37-K39 VanDerWaalsContact C-N 3.33Å; R37-K39 PolarHBondContact O-N 2.92Å; K39-A41 PolarHBondContact O-N 3.15Å; K39-E42 PolarHBondContact O-N 3.47Å |
| 40 | M | 39.4 | Very low | 49.3 | Very low | 158 Ų | 158 | 121 Ų | 121 | 78% | 0.778 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.5 | -26.3 | 167.4 | -79.3 | -85.1 | -89.3 | 0 | 0 | 111.7 | N44 | M40-N44 VanDerWaalsContact O-CB 3.3Å; M40-N44 WeakPolarHBondContact O-CB 3.39Å |
| 41 | A | 44 | Very low | 51.6 | Low | 37 Ų | 37 | 122.1 Ų | 122.1 | 31% | 0.306 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.7 | -41.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R37 S38 K39 L43 N44 T45 | R37-A41 PolarHBondContact O-N 3.33Å; R37-A41 VanDerWaalsContact O-N 3.1Å; S38-A41 WeakPolarHBondContact O-CB 3.3Å; K39-A41 PolarHBondContact O-N 3.15Å; A41-L43 VanDerWaalsContact C-N 3.33Å; A41-L43 PolarHBondContact O-N 3.35Å; A41-L43 VanDerWaalsContact O-N 3.16Å; A41-N44 PolarHBondContact O-N 2.88Å; A41-N44 VanDerWaalsContact O-N 3.1Å; A41-T45 HydrophobicContact CB-CG2 4.25Å; A41-T45 WeakPolarHBondContact O-CB 3.35Å; A41-T45 WeakPolarHBondContact O-CG2 3.48Å; A41-T45 PolarHBondContact O-N 2.86Å; A41-T45 PolarHBondContact O-OG1 2.95Å |
| 42 | E | 47.1 | Very low | 53.8 | Low | 158 Ų | 158 | 116 Ų | 116 | 74% | 0.738 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.6 | -24.4 | -162.6 | -159.6 | 162.8 | -149.3 | 0 | 0 | 115.8 | S38 K39 T45 | S38-E42 PolarHBondContact O-N 3.24Å; K39-E42 PolarHBondContact O-N 3.47Å; E42-T45 PolarHBondContact O-OG1 3.32Å |
| 43 | L | 43.2 | Very low | 56.4 | Low | 158 Ų | 158 | 110.1 Ų | 110.1 | 83% | 0.827 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -96.5 | -30.1 | 169.8 | -102.9 | 167.2 | 0 | 0 | 0 | 113.4 | A41 | A41-L43 VanDerWaalsContact C-N 3.33Å; A41-L43 PolarHBondContact O-N 3.35Å; A41-L43 VanDerWaalsContact O-N 3.16Å |
| 44 | N | 43.7 | Very low | 59 | Low | 93 Ų | 93 | 113.9 Ų | 113.9 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.8 | -34.8 | 177.3 | -170 | -78 | 0 | 0 | 0 | 111.6 | M40 A41 H46 V47 N48 | M40-N44 VanDerWaalsContact O-CB 3.3Å; M40-N44 WeakPolarHBondContact O-CB 3.39Å; A41-N44 PolarHBondContact O-N 2.88Å; A41-N44 VanDerWaalsContact O-N 3.1Å; N44-H46 VanDerWaalsContact C-N 3.31Å; N44-H46 PolarHBondContact O-N 2.99Å; N44-V47 PolarHBondContact O-N 3.06Å; N44-V47 VanDerWaalsContact O-N 3.14Å; N44-N48 WeakPolarHBondContact O-CB 3.47Å; N44-N48 PolarHBondContact O-N 3.4Å; N44-N48 WeakPolarHBondContact OD1-CB 3.37Å; N44-N48 PolarHBondContact OD1-ND2 3.02Å; N44-N48 VanDerWaalsContact OD1-ND2 3.1Å |
| 45 | T | 53.6 | Low | 61.6 | Low | 53 Ų | 53 | 105.6 Ų | 105.6 | 33% | 0.325 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -54.7 | -41.2 | -178.4 | 44.8 | 0 | 0 | 0 | 0 | 112.2 | A41 E42 V47 N48 V49 | A41-T45 HydrophobicContact CB-CG2 4.25Å; A41-T45 WeakPolarHBondContact O-CB 3.35Å; A41-T45 WeakPolarHBondContact O-CG2 3.48Å; A41-T45 PolarHBondContact O-N 2.86Å; A41-T45 PolarHBondContact O-OG1 2.95Å; E42-T45 PolarHBondContact O-OG1 3.32Å; T45-V47 VanDerWaalsContact C-N 3.32Å; T45-V47 PolarHBondContact O-N 3.23Å; T45-N48 PolarHBondContact O-N 3.3Å; T45-V49 WeakPolarHBondContact O-CA 3.43Å; T45-V49 WeakPolarHBondContact O-CB 3.37Å; T45-V49 WeakPolarHBondContact O-CG2 3.27Å; T45-V49 PolarHBondContact O-N 3.04Å |
| 46 | H | 52 | Low | 63.9 | Low | 156 Ų | 156 | 101.8 Ų | 101.8 | 72% | 0.722 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.3 | -33.1 | -177.5 | -168 | -84.8 | 0 | 0 | 0 | 113 | N44 | N44-H46 VanDerWaalsContact C-N 3.31Å; N44-H46 PolarHBondContact O-N 2.99Å |
| 47 | V | 54.8 | Low | 66.6 | Low | 88 Ų | 88 | 101.1 Ų | 101.1 | 53% | 0.533 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74.3 | -52 | 174.1 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | N44 T45 V49 K50 E51 | N44-V47 PolarHBondContact O-N 3.06Å; N44-V47 VanDerWaalsContact O-N 3.14Å; T45-V47 VanDerWaalsContact C-N 3.32Å; T45-V47 PolarHBondContact O-N 3.23Å; V47-V49 VanDerWaalsContact C-N 3.34Å; V47-V49 PolarHBondContact O-N 2.99Å; V47-K50 WeakPolarHBondContact O-CB 3.49Å; V47-K50 PolarHBondContact O-N 3.36Å; V47-E51 PolarHBondContact O-N 2.93Å |
| 48 | N | 74.1 | Confident | 69 | Low | 52 Ų | 52 | 94.6 Ų | 94.6 | 28% | 0.278 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.1 | -37.3 | -177.7 | -163.7 | -35.6 | 0 | 0 | 0 | 112.1 | N44 T45 E51 K52 | N44-N48 WeakPolarHBondContact O-CB 3.47Å; N44-N48 PolarHBondContact O-N 3.4Å; N44-N48 WeakPolarHBondContact OD1-CB 3.37Å; N44-N48 PolarHBondContact OD1-ND2 3.02Å; N44-N48 VanDerWaalsContact OD1-ND2 3.1Å; T45-N48 PolarHBondContact O-N 3.3Å; N48-E51 PolarHBondContact O-N 3.03Å; N48-K52 WeakPolarHBondContact O-CB 3.47Å; N48-K52 WeakPolarHBondContact O-CG 3.4Å; N48-K52 PolarHBondContact O-N 3.46Å; N48-K52 WeakPolarHBondContact OD1-CD 3.13Å; N48-K52 WeakPolarHBondContact OD1-CE 3.49Å |
| 49 | V | 85.1 | Confident | 71.4 | Confident | 24 Ų | 24 | 95.1 Ų | 95.1 | 15% | 0.145 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -65.4 | -37.5 | 173.5 | 166.4 | 0 | 0 | 0 | 0 | 111.4 | T45 V47 E51 K52 I53 V69 F77 | T45-V49 WeakPolarHBondContact O-CA 3.43Å; T45-V49 WeakPolarHBondContact O-CB 3.37Å; T45-V49 WeakPolarHBondContact O-CG2 3.27Å; T45-V49 PolarHBondContact O-N 3.04Å; V47-V49 VanDerWaalsContact C-N 3.34Å; V47-V49 PolarHBondContact O-N 2.99Å; V49-E51 VanDerWaalsContact C-N 3.32Å; V49-E51 PolarHBondContact O-N 3.21Å; V49-K52 PolarHBondContact O-N 3.35Å; V49-I53 HydrophobicContact CG1-CD1 3.78Å; V49-I53 HydrophobicContact CG1-CG1 4.24Å; V49-I53 WeakPolarHBondContact O-CB 3.27Å; V49-I53 WeakPolarHBondContact O-CD1 3.44Å; V49-I53 WeakPolarHBondContact O-CG1 3.47Å; V49-I53 PolarHBondContact O-N 3.43Å; V49-V69 HydrophobicContact CG1-CG2 4.33Å; V49-F77 HydrophobicContact CG2-CD1 3.57Å; V49-F77 HydrophobicContact CG2-CE1 3.68Å; V49-F77 HydrophobicContact CG2-CG 4.34Å |
| 50 | K | 88.8 | Confident | 73.7 | Confident | 159 Ų | 159 | 88 Ų | 88 | 69% | 0.691 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.9 | -41.1 | 175.5 | -171.9 | -172.9 | 174.3 | -167.6 | 0 | 111.4 | V47 Y54 | V47-K50 WeakPolarHBondContact O-CB 3.49Å; V47-K50 PolarHBondContact O-N 3.36Å; K50-Y54 PolarHBondContact O-N 3.37Å; K50-Y54 VanDerWaalsContact O-N 3.15Å |
| 51 | E | 91.4 | Very high | 76 | Confident | 123 Ų | 123 | 84.4 Ų | 84.4 | 58% | 0.575 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -69.6 | -42.5 | 176.2 | -68.2 | 170 | 175.9 | 0 | 0 | 111.7 | V47 N48 V49 I53 Y54 A55 | V47-E51 PolarHBondContact O-N 2.93Å; N48-E51 PolarHBondContact O-N 3.03Å; V49-E51 VanDerWaalsContact C-N 3.32Å; V49-E51 PolarHBondContact O-N 3.21Å; E51-I53 PolarHBondContact O-N 2.96Å; E51-Y54 WeakPolarHBondContact O-CA 3.39Å; E51-Y54 WeakPolarHBondContact O-CB 3.41Å; E51-Y54 PolarHBondContact O-N 3.3Å; E51-Y54 VanDerWaalsContact O-N 3.1Å; E51-A55 PolarHBondContact O-N 3.41Å |
| 52 | K | 90.9 | Very high | 78 | Confident | 52 Ų | 52 | 89.7 Ų | 89.7 | 23% | 0.226 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 174 | -71.8 | 173.8 | 165.5 | -179.9 | 0 | 112.8 | N48 V49 Y54 A55 V56 L72 F77 V79 | N48-K52 WeakPolarHBondContact O-CB 3.47Å; N48-K52 WeakPolarHBondContact O-CG 3.4Å; N48-K52 PolarHBondContact O-N 3.46Å; N48-K52 WeakPolarHBondContact OD1-CD 3.13Å; N48-K52 WeakPolarHBondContact OD1-CE 3.49Å; V49-K52 PolarHBondContact O-N 3.35Å; K52-Y54 VanDerWaalsContact C-N 3.3Å; K52-Y54 PolarHBondContact O-N 2.86Å; K52-A55 PolarHBondContact O-N 3.05Å; K52-V56 WeakPolarHBondContact O-CG2 3.48Å; K52-V56 PolarHBondContact O-N 3.03Å; K52-L72 HydrophobicContact CB-CD1 4.03Å; K52-L72 HydrophobicContact CB-CD2 4.48Å; K52-F77 HydrophobicContact CD-CB 4.2Å; K52-F77 VanDerWaalsContact CD-O 3.32Å; K52-F77 WeakPolarHBondContact CD-O 3.23Å; K52-F77 WeakPolarHBondContact CE-O 3.36Å; K52-F77 PolarHBondContact NZ-O 3.21Å; K52-V79 HydrophobicContact CB-CG2 3.84Å; K52-V79 HydrophobicContact CD-CG2 4.31Å; K52-V79 HydrophobicContact CG-CG2 3.59Å |
| 53 | I | 92.9 | Very high | 80 | Confident | 21 Ų | 21 | 85.2 Ų | 85.2 | 11% | 0.108 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 171.4 | -67.9 | 158.4 | 0 | 0 | 0 | 109.9 | V49 E51 V56 R57 N65 I68 V69 L72 | V49-I53 HydrophobicContact CG1-CD1 3.78Å; V49-I53 HydrophobicContact CG1-CG1 4.24Å; V49-I53 WeakPolarHBondContact O-CB 3.27Å; V49-I53 WeakPolarHBondContact O-CD1 3.44Å; V49-I53 WeakPolarHBondContact O-CG1 3.47Å; V49-I53 PolarHBondContact O-N 3.43Å; E51-I53 PolarHBondContact O-N 2.96Å; I53-V56 PolarHBondContact O-N 2.82Å; I53-R57 HydrophobicContact CG2-CG 4.33Å; I53-R57 WeakPolarHBondContact O-CB 3.31Å; I53-R57 VanDerWaalsContact O-CG 3.27Å; I53-R57 WeakPolarHBondContact O-CG 3.48Å; I53-R57 PolarHBondContact O-N 3Å; I53-N65 HydrophobicContact CG2-CB 4.17Å; I53-I68 HydrophobicContact CB-CG2 4.27Å; I53-I68 HydrophobicContact CG1-CG2 4.07Å; I53-I68 HydrophobicContact CG2-CG2 4.22Å; I53-V69 HydrophobicContact CD1-CG2 3.46Å; I53-V69 VanDerWaalsContact CD1-CG2 3.46Å; I53-V69 HydrophobicContact CG1-CG2 3.94Å; I53-L72 HydrophobicContact CG1-CD1 4.19Å |
| 54 | Y | 94.1 | Very high | 82.3 | Confident | 182 Ų | 182 | 80.3 Ų | 80.3 | 71% | 0.714 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.3 | -42.8 | 178.3 | -172.3 | -96.8 | 0 | 0 | 0 | 112 | K50 E51 K52 R57 S58 | K50-Y54 PolarHBondContact O-N 3.37Å; K50-Y54 VanDerWaalsContact O-N 3.15Å; E51-Y54 WeakPolarHBondContact O-CA 3.39Å; E51-Y54 WeakPolarHBondContact O-CB 3.41Å; E51-Y54 PolarHBondContact O-N 3.3Å; E51-Y54 VanDerWaalsContact O-N 3.1Å; K52-Y54 VanDerWaalsContact C-N 3.3Å; K52-Y54 PolarHBondContact O-N 2.86Å; Y54-R57 PolarHBondContact O-N 3.18Å; Y54-R57 VanDerWaalsContact O-N 3.16Å; Y54-S58 PolarHBondContact O-N 3.15Å |
| 55 | A | 93.8 | Very high | 84.7 | Confident | 37 Ų | 37 | 79.2 Ų | 79.2 | 31% | 0.306 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.2 | -34.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E51 K52 S58 V79 | E51-A55 PolarHBondContact O-N 3.41Å; K52-A55 PolarHBondContact O-N 3.05Å; A55-S58 PolarHBondContact O-OG 3.36Å; A55-V79 HydrophobicContact CB-CG1 4.03Å; A55-V79 HydrophobicContact CB-CG2 4.5Å |
| 56 | V | 93.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -70.3 | -38 | 170.1 | 178 | 0 | 0 | 0 | 0 | 110.6 | K52 I53 V59 V60 I68 L72 V79 A82 V83 F86 | K52-V56 WeakPolarHBondContact O-CG2 3.48Å; K52-V56 PolarHBondContact O-N 3.03Å; I53-V56 PolarHBondContact O-N 2.82Å; V56-V59 PolarHBondContact O-N 2.71Å; V56-V60 PolarHBondContact O-N 2.96Å; V56-I68 HydrophobicContact CB-CD1 4.38Å; V56-I68 HydrophobicContact CB-CG2 3.77Å; V56-I68 HydrophobicContact CG1-CD1 3.95Å; V56-I68 HydrophobicContact CG1-CG1 3.99Å; V56-I68 HydrophobicContact CG1-CG2 3.85Å; V56-I68 HydrophobicContact CG2-CG2 4.12Å; V56-L72 HydrophobicContact CG2-CD1 4.4Å; V56-L72 HydrophobicContact CG2-CD2 4.14Å; V56-L72 HydrophobicContact CG2-CG 4.39Å; V56-V79 HydrophobicContact CG2-CG1 3.98Å; V56-A82 HydrophobicContact CG2-CB 4.14Å; V56-V83 HydrophobicContact CB-CG2 4.27Å; V56-V83 HydrophobicContact CG1-CG2 4.15Å; V56-V83 HydrophobicContact CG2-CG2 4.11Å; V56-F86 HydrophobicContact CG1-CD2 3.86Å; V56-F86 HydrophobicContact CG1-CE2 4.02Å |
| 57 | R | 93.6 | Very high | 88.3 | Confident | 106 Ų | 106 | 78.3 Ų | 78.3 | 40% | 0.4 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -72.6 | -25 | -178.3 | -77 | -171.9 | 64.7 | -159.4 | -11.5 | 115.1 | I53 Y54 V59 V60 P61 N65 I68 | I53-R57 HydrophobicContact CG2-CG 4.33Å; I53-R57 WeakPolarHBondContact O-CB 3.31Å; I53-R57 VanDerWaalsContact O-CG 3.27Å; I53-R57 WeakPolarHBondContact O-CG 3.48Å; I53-R57 PolarHBondContact O-N 3Å; Y54-R57 PolarHBondContact O-N 3.18Å; Y54-R57 VanDerWaalsContact O-N 3.16Å; R57-V59 VanDerWaalsContact C-N 3.29Å; R57-V60 CarbonylContact O-C 3.57Å; R57-P61 VanDerWaalsContact O-CA 3.24Å; R57-P61 WeakPolarHBondContact O-CA 3.44Å; R57-N65 WeakPolarHBondContact CD-OD1 3.32Å; R57-N65 PolarHBondContact NH1-OD1 3.14Å; R57-I68 HydrophobicContact CB-CD1 4.41Å; R57-I68 HydrophobicContact CG-CD1 3.18Å |
| 58 | S | 93.8 | Very high | 90.1 | Very high | 86 Ų | 86 | 74.1 Ų | 74.1 | 60% | 0.601 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -68.4 | -31.4 | 173.6 | 55.1 | 0 | 0 | 0 | 0 | 112 | Y54 A55 | Y54-S58 PolarHBondContact O-N 3.15Å; A55-S58 PolarHBondContact O-OG 3.36Å |
| 59 | V | 89.6 | Confident | 91 | Very high | 88 Ų | 88 | 73.8 Ų | 73.8 | 53% | 0.533 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -88.1 | -35.3 | 174.3 | -169 | 0 | 0 | 0 | 0 | 111.8 | V56 R57 P61 V83 | V56-V59 PolarHBondContact O-N 2.71Å; R57-V59 VanDerWaalsContact C-N 3.29Å; V59-P61 WeakPolarHBondContact O-CD 3.45Å; V59-V83 HydrophobicContact CB-CG1 4.07Å; V59-V83 HydrophobicContact CB-CG2 4.33Å; V59-V83 HydrophobicContact CG1-CG1 3.67Å; V59-V83 HydrophobicContact CG2-CG1 4.47Å; V59-V83 HydrophobicContact CG2-CG2 4.42Å |
| 60 | V | 88.3 | Confident | 91.4 | Very high | 18 Ų | 18 | 74.8 Ų | 74.8 | 11% | 0.109 | 39% | 0.386 | C | S | . | . | trans | -125.8 | 72.4 | -176 | -158 | 0 | 0 | 0 | 0 | 111.3 | V56 R57 N62 K63 V83 F86 | V56-V60 PolarHBondContact O-N 2.96Å; R57-V60 CarbonylContact O-C 3.57Å; V60-N62 VanDerWaalsContact C-N 3.25Å; V60-N62 PolarHBondContact O-N 3.04Å; V60-K63 HydrophobicContact CB-CG 4.41Å; V60-K63 HydrophobicContact CG1-CG 3.55Å; V60-V83 HydrophobicContact CG2-CG1 4.5Å; V60-F86 HydrophobicContact CB-CB 4.43Å; V60-F86 HydrophobicContact CG1-CB 4.01Å; V60-F86 HydrophobicContact CG1-CG 4.39Å; V60-F86 HydrophobicContact CG2-CB 3.91Å | ||
| 61 | P | 87.2 | Confident | 91.6 | Very high | 81 Ų | 81 | 67.2 Ų | 67.2 | 53% | 0.526 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -23.7 | -171.8 | 25.3 | -35.3 | 0 | 0 | 0 | 114.2 | R57 V59 K63 | R57-P61 VanDerWaalsContact O-CA 3.24Å; R57-P61 WeakPolarHBondContact O-CA 3.44Å; V59-P61 WeakPolarHBondContact O-CD 3.45Å; P61-K63 PolarHBondContact O-N 3.24Å |
| 62 | N | 87.4 | Confident | 91.6 | Very high | 149 Ų | 149 | 61.3 Ų | 61.3 | 80% | 0.797 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 23.3 | -173.8 | -63.4 | -22.5 | 0 | 0 | 0 | 114.2 | V60 | V60-N62 VanDerWaalsContact C-N 3.25Å; V60-N62 PolarHBondContact O-N 3.04Å |
| 63 | K | 89.4 | Confident | 91.6 | Very high | 64 Ų | 64 | 63.5 Ų | 63.5 | 28% | 0.278 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -126.7 | 143.6 | -179.8 | -56.1 | -64.5 | 174.6 | -174 | 0 | 110.6 | V60 P61 I68 F86 | V60-K63 HydrophobicContact CB-CG 4.41Å; V60-K63 HydrophobicContact CG1-CG 3.55Å; P61-K63 PolarHBondContact O-N 3.24Å; K63-I68 HydrophobicContact CB-CD1 3.96Å; K63-I68 HydrophobicContact CB-CG1 4.01Å; K63-F86 HydrophobicContact CB-CE1 4.32Å; K63-F86 HydrophobicContact CB-CZ 4.49Å; K63-F86 HydrophobicContact CD-CD1 3.88Å; K63-F86 HydrophobicContact CD-CE1 3.82Å; K63-F86 HydrophobicContact CG-CD1 3.83Å; K63-F86 HydrophobicContact CG-CE1 3.82Å; K63-F86 HydrophobicContact CG-CG 4.4Å; K63-F86 HydrophobicContact CG-CZ 4.39Å |
| 64 | S | 91.6 | Very high | 91.4 | Very high | 54 Ų | 54 | 66.9 Ų | 66.9 | 38% | 0.378 | 35% | 0.351 | S | S | . | . | trans | -75.4 | 153.9 | 179 | 70.5 | 0 | 0 | 0 | 0 | 112 | N66 E67 I68 | S64-N66 PolarHBondContact O-N 3.13Å; S64-N66 VanDerWaalsContact O-N 3.15Å; S64-E67 VanDerWaalsContact CB-OE2 3.23Å; S64-E67 WeakPolarHBondContact CB-OE2 3.16Å; S64-E67 PolarHBondContact N-OE2 2.66Å; S64-E67 PolarHBondContact O-N 3.05Å; S64-E67 WeakPolarHBondContact OG-CG 3.43Å; S64-E67 PolarHBondContact OG-N 2.93Å; S64-E67 PolarHBondContact OG-OE2 2.8Å; S64-I68 WeakPolarHBondContact O-CG1 3.4Å; S64-I68 PolarHBondContact O-N 3.39Å; S64-I68 VanDerWaalsContact O-N 3.09Å | ||
| 65 | N | 92.4 | Very high | 91.2 | Very high | 71 Ų | 71 | 61 Ų | 61 | 38% | 0.38 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -52.2 | -37.8 | 173.8 | -68.8 | 0.5 | 0 | 0 | 0 | 111.8 | I53 R57 I68 V69 | I53-N65 HydrophobicContact CG2-CB 4.17Å; R57-N65 WeakPolarHBondContact CD-OD1 3.32Å; R57-N65 PolarHBondContact NH1-OD1 3.14Å; N65-I68 PolarHBondContact O-N 3.36Å; N65-V69 WeakPolarHBondContact O-CG2 3.11Å; N65-V69 PolarHBondContact O-N 3.4Å |
| 66 | N | 91.1 | Very high | 90.9 | Very high | 122 Ų | 122 | 66 Ų | 66 | 65% | 0.652 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -70.3 | -42.2 | -176.2 | -63.6 | 2.3 | 0 | 0 | 0 | 111.9 | S64 I68 V69 L70 | S64-N66 PolarHBondContact O-N 3.13Å; S64-N66 VanDerWaalsContact O-N 3.15Å; N66-I68 VanDerWaalsContact C-N 3.31Å; N66-V69 PolarHBondContact O-N 3.43Å; N66-L70 WeakPolarHBondContact O-CG 3.26Å; N66-L70 PolarHBondContact O-N 2.82Å; N66-L70 VanDerWaalsContact O-N 3.14Å |
| 67 | E | 91.2 | Very high | 90.8 | Very high | 67 Ų | 67 | 68.8 Ų | 68.8 | 31% | 0.313 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 173.7 | -70.5 | 163.2 | 111.5 | 0 | 0 | 111.1 | S64 L70 V71 F86 L95 | S64-E67 VanDerWaalsContact CB-OE2 3.23Å; S64-E67 WeakPolarHBondContact CB-OE2 3.16Å; S64-E67 PolarHBondContact N-OE2 2.66Å; S64-E67 PolarHBondContact O-N 3.05Å; S64-E67 WeakPolarHBondContact OG-CG 3.43Å; S64-E67 PolarHBondContact OG-N 2.93Å; S64-E67 PolarHBondContact OG-OE2 2.8Å; E67-L70 PolarHBondContact O-N 3.25Å; E67-V71 WeakPolarHBondContact O-CG2 3.32Å; E67-V71 PolarHBondContact O-N 2.94Å; E67-F86 HydrophobicContact CB-CZ 4.43Å; E67-L95 HydrophobicContact CB-CD1 3.86Å; E67-L95 HydrophobicContact CB-CD2 3.87Å; E67-L95 HydrophobicContact CG-CD1 3.95Å; E67-L95 HydrophobicContact CG-CD2 4.01Å |
| 68 | I | 93.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 179.3 | -68.8 | 172.2 | 0 | 0 | 0 | 111.6 | I53 V56 R57 K63 S64 N65 N66 V71 L72 F86 | I53-I68 HydrophobicContact CB-CG2 4.27Å; I53-I68 HydrophobicContact CG1-CG2 4.07Å; I53-I68 HydrophobicContact CG2-CG2 4.22Å; V56-I68 HydrophobicContact CB-CD1 4.38Å; V56-I68 HydrophobicContact CB-CG2 3.77Å; V56-I68 HydrophobicContact CG1-CD1 3.95Å; V56-I68 HydrophobicContact CG1-CG1 3.99Å; V56-I68 HydrophobicContact CG1-CG2 3.85Å; V56-I68 HydrophobicContact CG2-CG2 4.12Å; R57-I68 HydrophobicContact CB-CD1 4.41Å; R57-I68 HydrophobicContact CG-CD1 3.18Å; K63-I68 HydrophobicContact CB-CD1 3.96Å; K63-I68 HydrophobicContact CB-CG1 4.01Å; S64-I68 WeakPolarHBondContact O-CG1 3.4Å; S64-I68 PolarHBondContact O-N 3.39Å; S64-I68 VanDerWaalsContact O-N 3.09Å; N65-I68 PolarHBondContact O-N 3.36Å; N66-I68 VanDerWaalsContact C-N 3.31Å; I68-V71 PolarHBondContact O-N 3.12Å; I68-L72 HydrophobicContact CG2-CD1 3.75Å; I68-L72 HydrophobicContact CG2-CG 4.27Å; I68-L72 VanDerWaalsContact O-CB 3.27Å; I68-L72 WeakPolarHBondContact O-CB 3.36Å; I68-L72 VanDerWaalsContact O-CG 3.29Å; I68-L72 WeakPolarHBondContact O-CG 3.05Å; I68-L72 PolarHBondContact O-N 2.81Å; I68-F86 HydrophobicContact CB-CE2 4.35Å; I68-F86 HydrophobicContact CG1-CE2 3.66Å; I68-F86 HydrophobicContact CG1-CZ 3.81Å |
| 69 | V | 92.6 | Very high | 90.6 | Very high | 46 Ų | 46 | 63.7 Ų | 63.7 | 28% | 0.279 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 172.5 | 166.7 | 0 | 0 | 0 | 0 | 111.4 | V49 I53 N65 N66 V71 L72 Q73 | V49-V69 HydrophobicContact CG1-CG2 4.33Å; I53-V69 HydrophobicContact CD1-CG2 3.46Å; I53-V69 VanDerWaalsContact CD1-CG2 3.46Å; I53-V69 HydrophobicContact CG1-CG2 3.94Å; N65-V69 WeakPolarHBondContact O-CG2 3.11Å; N65-V69 PolarHBondContact O-N 3.4Å; N66-V69 PolarHBondContact O-N 3.43Å; V69-V71 PolarHBondContact O-N 3.08Å; V69-L72 PolarHBondContact O-N 2.71Å; V69-Q73 VanDerWaalsContact O-CB 3.26Å; V69-Q73 WeakPolarHBondContact O-CB 3.34Å; V69-Q73 PolarHBondContact O-N 2.92Å |
| 70 | L | 92.2 | Very high | 90.7 | Very high | 44 Ų | 44 | 64.9 Ų | 64.9 | 23% | 0.23 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.7 | -40.7 | -180 | -68.6 | 170.8 | 0 | 0 | 0 | 112.2 | N66 E67 Q74 L95 W98 | N66-L70 WeakPolarHBondContact O-CG 3.26Å; N66-L70 PolarHBondContact O-N 2.82Å; N66-L70 VanDerWaalsContact O-N 3.14Å; E67-L70 PolarHBondContact O-N 3.25Å; L70-Q74 PolarHBondContact O-N 2.94Å; L70-Q74 VanDerWaalsContact O-N 3.16Å; L70-L95 HydrophobicContact CB-CD2 3.89Å; L70-L95 HydrophobicContact CD1-CD2 3.94Å; L70-W98 HydrophobicContact CD2-CD2 3.81Å; L70-W98 HydrophobicContact CD2-CE3 3.71Å; L70-W98 HydrophobicContact CD2-CG 4.28Å; L70-W98 HydrophobicContact CD2-CH2 4.49Å; L70-W98 HydrophobicContact CD2-CZ3 4.07Å |
| 71 | V | 92.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -72 | -41.3 | 177.7 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | E67 I68 V69 Q73 Q74 F75 A82 A85 F86 A91 V94 L95 | E67-V71 WeakPolarHBondContact O-CG2 3.32Å; E67-V71 PolarHBondContact O-N 2.94Å; I68-V71 PolarHBondContact O-N 3.12Å; V69-V71 PolarHBondContact O-N 3.08Å; V71-Q73 VanDerWaalsContact C-N 3.34Å; V71-Q73 PolarHBondContact O-N 2.75Å; V71-Q74 WeakPolarHBondContact O-CB 3.26Å; V71-Q74 PolarHBondContact O-N 3.04Å; V71-F75 HydrophobicContact CG1-CD2 3.99Å; V71-F75 HydrophobicContact CG1-CE2 3.92Å; V71-F75 VanDerWaalsContact O-CD2 3.24Å; V71-F75 WeakPolarHBondContact O-CD2 3.42Å; V71-F75 PolarHBondContact O-N 3.26Å; V71-A82 HydrophobicContact CG1-CB 3.98Å; V71-A85 HydrophobicContact CG1-CB 4.33Å; V71-F86 HydrophobicContact CB-CE2 3.83Å; V71-F86 HydrophobicContact CB-CZ 3.88Å; V71-F86 HydrophobicContact CG1-CD2 4.34Å; V71-F86 HydrophobicContact CG1-CE2 3.88Å; V71-F86 HydrophobicContact CG1-CZ 4.28Å; V71-F86 HydrophobicContact CG2-CE1 4.13Å; V71-F86 HydrophobicContact CG2-CE2 4.04Å; V71-F86 HydrophobicContact CG2-CZ 3.58Å; V71-A91 HydrophobicContact CG1-CB 4.23Å; V71-A91 HydrophobicContact CG2-CB 3.88Å; V71-V94 HydrophobicContact CG2-CG1 4.4Å; V71-L95 HydrophobicContact CG2-CD1 4.17Å; V71-L95 HydrophobicContact CG2-CD2 4.1Å; V71-L95 HydrophobicContact CG2-CG 3.93Å |
| 72 | L | 93.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 172.2 | -79.3 | 168.1 | 0 | 0 | 0 | 111.4 | K52 I53 V56 I68 V69 Q74 F75 D76 F77 A82 | K52-L72 HydrophobicContact CB-CD1 4.03Å; K52-L72 HydrophobicContact CB-CD2 4.48Å; I53-L72 HydrophobicContact CG1-CD1 4.19Å; V56-L72 HydrophobicContact CG2-CD1 4.4Å; V56-L72 HydrophobicContact CG2-CD2 4.14Å; V56-L72 HydrophobicContact CG2-CG 4.39Å; I68-L72 HydrophobicContact CG2-CD1 3.75Å; I68-L72 HydrophobicContact CG2-CG 4.27Å; I68-L72 VanDerWaalsContact O-CB 3.27Å; I68-L72 WeakPolarHBondContact O-CB 3.36Å; I68-L72 VanDerWaalsContact O-CG 3.29Å; I68-L72 WeakPolarHBondContact O-CG 3.05Å; I68-L72 PolarHBondContact O-N 2.81Å; V69-L72 PolarHBondContact O-N 2.71Å; L72-Q74 PolarHBondContact O-N 2.96Å; L72-F75 CarbonylContact O-C 3.48Å; L72-F75 PolarHBondContact O-N 2.89Å; L72-F75 VanDerWaalsContact O-N 3.1Å; L72-D76 PolarHBondContact O-N 2.97Å; L72-F77 HydrophobicContact CB-CD1 3.87Å; L72-F77 HydrophobicContact CB-CE1 4.48Å; L72-F77 VanDerWaalsContact O-CA 3.29Å; L72-F77 WeakPolarHBondContact O-CA 3.48Å; L72-F77 PolarHBondContact O-N 3.3Å; L72-A82 HydrophobicContact CD2-CB 3.68Å; L72-A82 HydrophobicContact CG-CB 4.05Å |
| 73 | Q | 90.3 | Very high | 91.5 | Very high | 97 Ų | 97 | 59.9 Ų | 59.9 | 45% | 0.453 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63 | -28.5 | 177.9 | -174.6 | 172.4 | 9.6 | 0 | 0 | 112.5 | V69 V71 F75 F77 | V69-Q73 VanDerWaalsContact O-CB 3.26Å; V69-Q73 WeakPolarHBondContact O-CB 3.34Å; V69-Q73 PolarHBondContact O-N 2.92Å; V71-Q73 VanDerWaalsContact C-N 3.34Å; V71-Q73 PolarHBondContact O-N 2.75Å; Q73-F75 VanDerWaalsContact C-N 3.33Å; Q73-F77 HydrophobicContact CB-CE1 4.27Å; Q73-F77 HydrophobicContact CB-CZ 4.09Å; Q73-F77 HydrophobicContact CG-CZ 4.21Å |
| 74 | Q | 88.3 | Confident | 91.6 | Very high | 92 Ų | 92 | 61.6 Ų | 61.6 | 43% | 0.43 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -76 | -18.1 | 176.3 | -167.1 | 56.4 | 75 | 0 | 0 | 113.9 | L70 V71 L72 V94 | L70-Q74 PolarHBondContact O-N 2.94Å; L70-Q74 VanDerWaalsContact O-N 3.16Å; V71-Q74 WeakPolarHBondContact O-CB 3.26Å; V71-Q74 PolarHBondContact O-N 3.04Å; L72-Q74 PolarHBondContact O-N 2.96Å; Q74-V94 HydrophobicContact CB-CG1 3.73Å; Q74-V94 HydrophobicContact CG-CG1 3.72Å; Q74-V94 HydrophobicContact CG-CG2 3.96Å |
| 75 | F | 89.1 | Confident | 91.7 | Very high | 58 Ų | 58 | 59.2 Ų | 59.2 | 25% | 0.254 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | 38.4 | -177.1 | -61.9 | -60.7 | 0 | 0 | 0 | 112.8 | V71 L72 Q73 F77 N78 K81 A85 | V71-F75 HydrophobicContact CG1-CD2 3.99Å; V71-F75 HydrophobicContact CG1-CE2 3.92Å; V71-F75 VanDerWaalsContact O-CD2 3.24Å; V71-F75 WeakPolarHBondContact O-CD2 3.42Å; V71-F75 PolarHBondContact O-N 3.26Å; L72-F75 CarbonylContact O-C 3.48Å; L72-F75 PolarHBondContact O-N 2.89Å; L72-F75 VanDerWaalsContact O-N 3.1Å; Q73-F75 VanDerWaalsContact C-N 3.33Å; F75-F77 PolarHBondContact O-N 3.46Å; F75-F77 VanDerWaalsContact O-N 3.08Å; F75-N78 WeakPolarHBondContact O-CB 3.49Å; F75-N78 PolarHBondContact O-N 3.01Å; F75-K81 HydrophobicContact CB-CB 3.96Å; F75-K81 HydrophobicContact CB-CD 4.4Å; F75-K81 HydrophobicContact CD1-CB 4.37Å; F75-K81 HydrophobicContact CD2-CB 4.4Å; F75-K81 HydrophobicContact CG-CB 4.02Å; F75-A85 HydrophobicContact CE2-CB 3.53Å; F75-A85 HydrophobicContact CZ-CB 4Å |
| 76 | D | 88.9 | Confident | 91.7 | Very high | 143 Ų | 143 | 56.6 Ų | 56.6 | 77% | 0.765 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 31.1 | 176.6 | -54.3 | -53.3 | 0 | 0 | 0 | 114.3 | L72 N78 | L72-D76 PolarHBondContact O-N 2.97Å; D76-N78 PolarHBondContact O-N 2.88Å |
| 77 | F | 89.9 | Confident | 91.8 | Very high | 59 Ų | 59 | 55.4 Ų | 55.4 | 26% | 0.259 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 31.7 | -172.7 | -55.1 | -87.7 | 0 | 0 | 0 | 114.1 | V49 K52 L72 Q73 F75 | V49-F77 HydrophobicContact CG2-CD1 3.57Å; V49-F77 HydrophobicContact CG2-CE1 3.68Å; V49-F77 HydrophobicContact CG2-CG 4.34Å; K52-F77 HydrophobicContact CD-CB 4.2Å; K52-F77 VanDerWaalsContact CD-O 3.32Å; K52-F77 WeakPolarHBondContact CD-O 3.23Å; K52-F77 WeakPolarHBondContact CE-O 3.36Å; K52-F77 PolarHBondContact NZ-O 3.21Å; L72-F77 HydrophobicContact CB-CD1 3.87Å; L72-F77 HydrophobicContact CB-CE1 4.48Å; L72-F77 VanDerWaalsContact O-CA 3.29Å; L72-F77 WeakPolarHBondContact O-CA 3.48Å; L72-F77 PolarHBondContact O-N 3.3Å; Q73-F77 HydrophobicContact CB-CE1 4.27Å; Q73-F77 HydrophobicContact CB-CZ 4.09Å; Q73-F77 HydrophobicContact CG-CZ 4.21Å; F75-F77 PolarHBondContact O-N 3.46Å; F75-F77 VanDerWaalsContact O-N 3.08Å |
| 78 | N | 90.4 | Very high | 91.7 | Very high | 55 Ų | 55 | 57.2 Ų | 57.2 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | trans | -79.9 | 127.4 | 167.2 | 175.9 | -93.9 | 0 | 0 | 0 | 110.6 | F75 D76 D80 K81 A82 | F75-N78 WeakPolarHBondContact O-CB 3.49Å; F75-N78 PolarHBondContact O-N 3.01Å; D76-N78 PolarHBondContact O-N 2.88Å; N78-D80 PolarHBondContact ND2-OD2 2.94Å; N78-D80 PolarHBondContact OD1-N 3.04Å; N78-K81 HydrophobicContact CB-CB 4.45Å; N78-K81 HydrophobicContact CB-CD 4.3Å; N78-K81 VanDerWaalsContact OD1-CB 3.29Å; N78-K81 WeakPolarHBondContact OD1-CB 3.43Å; N78-K81 VanDerWaalsContact OD1-CG 3.24Å; N78-K81 WeakPolarHBondContact OD1-CG 3.47Å; N78-K81 PolarHBondContact OD1-N 3.14Å; N78-A82 WeakPolarHBondContact O-CB 3.44Å; N78-A82 PolarHBondContact O-N 3.06Å | ||
| 79 | V | 93.1 | Very high | 91.4 | Very high | 30 Ų | 30 | 58.6 Ų | 58.6 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.7 | -45.4 | -176.1 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | K52 A55 V56 K81 A82 V83 | K52-V79 HydrophobicContact CB-CG2 3.84Å; K52-V79 HydrophobicContact CD-CG2 4.31Å; K52-V79 HydrophobicContact CG-CG2 3.59Å; A55-V79 HydrophobicContact CB-CG1 4.03Å; A55-V79 HydrophobicContact CB-CG2 4.5Å; V56-V79 HydrophobicContact CG2-CG1 3.98Å; V79-K81 PolarHBondContact O-N 3.42Å; V79-A82 PolarHBondContact O-N 3.25Å; V79-A82 VanDerWaalsContact O-N 3.12Å; V79-V83 HydrophobicContact CG1-CG2 4.19Å; V79-V83 WeakPolarHBondContact O-CG2 3.46Å; V79-V83 PolarHBondContact O-N 3.48Å |
| 80 | D | 92.3 | Very high | 91.2 | Very high | 113 Ų | 113 | 59 Ų | 59 | 60% | 0.604 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.2 | -45.5 | -170.7 | -38.2 | -78.4 | 0 | 0 | 0 | 111 | N78 A82 V83 Q84 | N78-D80 PolarHBondContact ND2-OD2 2.94Å; N78-D80 PolarHBondContact OD1-N 3.04Å; D80-A82 VanDerWaalsContact C-N 3.34Å; D80-A82 PolarHBondContact O-N 3.42Å; D80-V83 PolarHBondContact O-N 3.1Å; D80-Q84 VanDerWaalsContact O-CB 3.26Å; D80-Q84 WeakPolarHBondContact O-CB 3.41Å; D80-Q84 PolarHBondContact O-N 3.46Å |
| 81 | K | 92.6 | Very high | 91.1 | Very high | 121 Ų | 121 | 57 Ų | 57 | 53% | 0.526 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 172.8 | -71.5 | 176.6 | -178 | -177.2 | 0 | 112.4 | F75 N78 V79 A85 | F75-K81 HydrophobicContact CB-CB 3.96Å; F75-K81 HydrophobicContact CB-CD 4.4Å; F75-K81 HydrophobicContact CD1-CB 4.37Å; F75-K81 HydrophobicContact CD2-CB 4.4Å; F75-K81 HydrophobicContact CG-CB 4.02Å; N78-K81 HydrophobicContact CB-CB 4.45Å; N78-K81 HydrophobicContact CB-CD 4.3Å; N78-K81 VanDerWaalsContact OD1-CB 3.29Å; N78-K81 WeakPolarHBondContact OD1-CB 3.43Å; N78-K81 VanDerWaalsContact OD1-CG 3.24Å; N78-K81 WeakPolarHBondContact OD1-CG 3.47Å; N78-K81 PolarHBondContact OD1-N 3.14Å; V79-K81 PolarHBondContact O-N 3.42Å; K81-A85 VanDerWaalsContact O-CB 3.31Å; K81-A85 WeakPolarHBondContact O-CB 3.39Å; K81-A85 PolarHBondContact O-N 2.96Å |
| 82 | A | 92.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.7 | -42.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V56 V71 L72 N78 V79 D80 A85 F86 | V56-A82 HydrophobicContact CG2-CB 4.14Å; V71-A82 HydrophobicContact CG1-CB 3.98Å; L72-A82 HydrophobicContact CD2-CB 3.68Å; L72-A82 HydrophobicContact CG-CB 4.05Å; N78-A82 WeakPolarHBondContact O-CB 3.44Å; N78-A82 PolarHBondContact O-N 3.06Å; V79-A82 PolarHBondContact O-N 3.25Å; V79-A82 VanDerWaalsContact O-N 3.12Å; D80-A82 VanDerWaalsContact C-N 3.34Å; D80-A82 PolarHBondContact O-N 3.42Å; A82-A85 PolarHBondContact O-N 3.33Å; A82-F86 WeakPolarHBondContact O-CD2 3.44Å; A82-F86 PolarHBondContact O-N 3.02Å; A82-F86 VanDerWaalsContact O-N 3.12Å |
| 83 | V | 93.4 | Very high | 90.5 | Very high | 22 Ų | 22 | 67.9 Ų | 67.9 | 13% | 0.133 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.8 | -51 | 172 | 169.6 | 0 | 0 | 0 | 0 | 110.2 | V56 V59 V60 V79 D80 A85 F86 V87 | V56-V83 HydrophobicContact CB-CG2 4.27Å; V56-V83 HydrophobicContact CG1-CG2 4.15Å; V56-V83 HydrophobicContact CG2-CG2 4.11Å; V59-V83 HydrophobicContact CB-CG1 4.07Å; V59-V83 HydrophobicContact CB-CG2 4.33Å; V59-V83 HydrophobicContact CG1-CG1 3.67Å; V59-V83 HydrophobicContact CG2-CG1 4.47Å; V59-V83 HydrophobicContact CG2-CG2 4.42Å; V60-V83 HydrophobicContact CG2-CG1 4.5Å; V79-V83 HydrophobicContact CG1-CG2 4.19Å; V79-V83 WeakPolarHBondContact O-CG2 3.46Å; V79-V83 PolarHBondContact O-N 3.48Å; D80-V83 PolarHBondContact O-N 3.1Å; V83-A85 VanDerWaalsContact C-N 3.33Å; V83-A85 PolarHBondContact O-N 3.36Å; V83-F86 WeakPolarHBondContact O-CA 3.45Å; V83-F86 WeakPolarHBondContact O-CB 3.36Å; V83-F86 PolarHBondContact O-N 3.4Å; V83-V87 HydrophobicContact CG1-CG2 4.36Å; V83-V87 WeakPolarHBondContact O-CG2 3.39Å; V83-V87 PolarHBondContact O-N 3.1Å |
| 84 | Q | 93.2 | Very high | 90.2 | Very high | 99 Ų | 99 | 63.9 Ų | 63.9 | 46% | 0.463 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.2 | -46.2 | 179.2 | -168.9 | 63.7 | 44 | 0 | 0 | 111.3 | D80 F86 V87 D88 | D80-Q84 VanDerWaalsContact O-CB 3.26Å; D80-Q84 WeakPolarHBondContact O-CB 3.41Å; D80-Q84 PolarHBondContact O-N 3.46Å; Q84-F86 VanDerWaalsContact C-N 3.28Å; Q84-F86 PolarHBondContact O-N 3.32Å; Q84-V87 PolarHBondContact O-N 3.47Å; Q84-V87 VanDerWaalsContact O-N 3.12Å; Q84-D88 WeakPolarHBondContact CG-OD2 3.33Å; Q84-D88 PolarHBondContact NE2-OD1 2.86Å; Q84-D88 PolarHBondContact NE2-OD2 3.31Å; Q84-D88 WeakPolarHBondContact O-CB 3.24Å; Q84-D88 PolarHBondContact O-N 2.98Å |
| 85 | A | 93.3 | Very high | 90.2 | Very high | 4 Ų | 4 | 60.3 Ų | 60.3 | 3% | 0.033 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.4 | -31.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V71 F75 K81 A82 V83 G89 S90 A91 | V71-A85 HydrophobicContact CG1-CB 4.33Å; F75-A85 HydrophobicContact CE2-CB 3.53Å; F75-A85 HydrophobicContact CZ-CB 4Å; K81-A85 VanDerWaalsContact O-CB 3.31Å; K81-A85 WeakPolarHBondContact O-CB 3.39Å; K81-A85 PolarHBondContact O-N 2.96Å; A82-A85 PolarHBondContact O-N 3.33Å; V83-A85 VanDerWaalsContact C-N 3.33Å; V83-A85 PolarHBondContact O-N 3.36Å; A85-G89 CarbonylContact O-C 3.57Å; A85-G89 PolarHBondContact O-N 3.44Å; A85-S90 WeakPolarHBondContact CA-OG 3.36Å; A85-S90 PolarHBondContact O-N 3.04Å; A85-S90 VanDerWaalsContact O-N 3.13Å; A85-S90 PolarHBondContact O-OG 3.24Å; A85-A91 HydrophobicContact CB-CB 4.07Å; A85-A91 WeakPolarHBondContact O-CB 3.23Å; A85-A91 PolarHBondContact O-N 3.01Å |
| 86 | F | 93.2 | Very high | 90 | Very high | 17 Ų | 17 | 64.5 Ų | 64.5 | 8% | 0.075 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -75.7 | -30.6 | 173.4 | -81.9 | -60 | 0 | 0 | 0 | 113.5 | V56 V60 K63 E67 I68 V71 A82 V83 Q84 A91 L95 | V56-F86 HydrophobicContact CG1-CD2 3.86Å; V56-F86 HydrophobicContact CG1-CE2 4.02Å; V60-F86 HydrophobicContact CB-CB 4.43Å; V60-F86 HydrophobicContact CG1-CB 4.01Å; V60-F86 HydrophobicContact CG1-CG 4.39Å; V60-F86 HydrophobicContact CG2-CB 3.91Å; K63-F86 HydrophobicContact CB-CE1 4.32Å; K63-F86 HydrophobicContact CB-CZ 4.49Å; K63-F86 HydrophobicContact CD-CD1 3.88Å; K63-F86 HydrophobicContact CD-CE1 3.82Å; K63-F86 HydrophobicContact CG-CD1 3.83Å; K63-F86 HydrophobicContact CG-CE1 3.82Å; K63-F86 HydrophobicContact CG-CG 4.4Å; K63-F86 HydrophobicContact CG-CZ 4.39Å; E67-F86 HydrophobicContact CB-CZ 4.43Å; I68-F86 HydrophobicContact CB-CE2 4.35Å; I68-F86 HydrophobicContact CG1-CE2 3.66Å; I68-F86 HydrophobicContact CG1-CZ 3.81Å; V71-F86 HydrophobicContact CB-CE2 3.83Å; V71-F86 HydrophobicContact CB-CZ 3.88Å; V71-F86 HydrophobicContact CG1-CD2 4.34Å; V71-F86 HydrophobicContact CG1-CE2 3.88Å; V71-F86 HydrophobicContact CG1-CZ 4.28Å; V71-F86 HydrophobicContact CG2-CE1 4.13Å; V71-F86 HydrophobicContact CG2-CE2 4.04Å; V71-F86 HydrophobicContact CG2-CZ 3.58Å; A82-F86 WeakPolarHBondContact O-CD2 3.44Å; A82-F86 PolarHBondContact O-N 3.02Å; A82-F86 VanDerWaalsContact O-N 3.12Å; V83-F86 WeakPolarHBondContact O-CA 3.45Å; V83-F86 WeakPolarHBondContact O-CB 3.36Å; V83-F86 PolarHBondContact O-N 3.4Å; Q84-F86 VanDerWaalsContact C-N 3.28Å; Q84-F86 PolarHBondContact O-N 3.32Å; F86-A91 HydrophobicContact CD1-CB 3.48Å; F86-A91 VanDerWaalsContact CD1-CB 3.48Å; F86-A91 HydrophobicContact CE1-CB 3.74Å; F86-A91 HydrophobicContact CG-CB 3.95Å; F86-A91 HydrophobicContact CZ-CB 4.37Å; F86-L95 HydrophobicContact CE1-CD1 4.02Å |
| 87 | V | 91.9 | Very high | 89.6 | Confident | 97 Ų | 97 | 62.5 Ų | 62.5 | 59% | 0.588 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -73 | -49.1 | 174.9 | 172 | 0 | 0 | 0 | 0 | 110.7 | V83 Q84 G89 | V83-V87 HydrophobicContact CG1-CG2 4.36Å; V83-V87 WeakPolarHBondContact O-CG2 3.39Å; V83-V87 PolarHBondContact O-N 3.1Å; Q84-V87 PolarHBondContact O-N 3.47Å; Q84-V87 VanDerWaalsContact O-N 3.12Å; V87-G89 PolarHBondContact O-N 2.93Å |
| 88 | D | 89.6 | Confident | 88.8 | Confident | 104 Ų | 104 | 64.8 Ų | 64.8 | 56% | 0.556 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -76.7 | -0.6 | -178.8 | -60.2 | -20.5 | 0 | 0 | 0 | 113.3 | Q84 S90 | Q84-D88 WeakPolarHBondContact CG-OD2 3.33Å; Q84-D88 PolarHBondContact NE2-OD1 2.86Å; Q84-D88 PolarHBondContact NE2-OD2 3.31Å; Q84-D88 WeakPolarHBondContact O-CB 3.24Å; Q84-D88 PolarHBondContact O-N 2.98Å; D88-S90 PolarHBondContact O-N 3.47Å; D88-S90 VanDerWaalsContact O-N 3.07Å |
| 89 | G | 87 | Confident | 87.8 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 30% | 0.299 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 71.7 | -7.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A85 V87 A91 I92 | A85-G89 CarbonylContact O-C 3.57Å; A85-G89 PolarHBondContact O-N 3.44Å; V87-G89 PolarHBondContact O-N 2.93Å; G89-A91 PolarHBondContact O-N 3.18Å; G89-I92 WeakPolarHBondContact O-CB 3.39Å; G89-I92 VanDerWaalsContact O-CG1 3.27Å; G89-I92 WeakPolarHBondContact O-CG1 3.29Å; G89-I92 PolarHBondContact O-N 3.49Å |
| 90 | S | 88.2 | Confident | 85.8 | Confident | 55 Ų | 55 | 72.1 Ų | 72.1 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -24.1 | -180 | 61.8 | 0 | 0 | 0 | 0 | 113.6 | A85 D88 I92 Q93 V94 | A85-S90 WeakPolarHBondContact CA-OG 3.36Å; A85-S90 PolarHBondContact O-N 3.04Å; A85-S90 VanDerWaalsContact O-N 3.13Å; A85-S90 PolarHBondContact O-OG 3.24Å; D88-S90 PolarHBondContact O-N 3.47Å; D88-S90 VanDerWaalsContact O-N 3.07Å; S90-I92 PolarHBondContact O-N 3Å; S90-Q93 WeakPolarHBondContact O-CB 3.31Å; S90-Q93 PolarHBondContact O-N 2.86Å; S90-V94 PolarHBondContact O-N 2.79Å |
| 91 | A | 90.1 | Very high | 84 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.008 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -55.6 | -28.6 | 168 | 0 | 0 | 0 | 0 | 0 | 113.2 | V71 A85 F86 G89 Q93 V94 L95 | V71-A91 HydrophobicContact CG1-CB 4.23Å; V71-A91 HydrophobicContact CG2-CB 3.88Å; A85-A91 HydrophobicContact CB-CB 4.07Å; A85-A91 WeakPolarHBondContact O-CB 3.23Å; A85-A91 PolarHBondContact O-N 3.01Å; F86-A91 HydrophobicContact CD1-CB 3.48Å; F86-A91 VanDerWaalsContact CD1-CB 3.48Å; F86-A91 HydrophobicContact CE1-CB 3.74Å; F86-A91 HydrophobicContact CG-CB 3.95Å; F86-A91 HydrophobicContact CZ-CB 4.37Å; G89-A91 PolarHBondContact O-N 3.18Å; A91-Q93 VanDerWaalsContact C-N 3.25Å; A91-Q93 PolarHBondContact O-N 3.09Å; A91-V94 PolarHBondContact O-N 3.03Å; A91-L95 WeakPolarHBondContact O-CB 3.32Å; A91-L95 VanDerWaalsContact O-CG 3.22Å; A91-L95 WeakPolarHBondContact O-CG 3.14Å; A91-L95 PolarHBondContact O-N 3.42Å |
| 92 | I | 86.4 | Confident | 82.1 | Confident | 109 Ų | 109 | 70 Ų | 70 | 56% | 0.559 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.8 | -34.2 | 175.5 | -59.1 | 171.1 | 0 | 0 | 0 | 110.4 | G89 S90 K96 | G89-I92 WeakPolarHBondContact O-CB 3.39Å; G89-I92 VanDerWaalsContact O-CG1 3.27Å; G89-I92 WeakPolarHBondContact O-CG1 3.29Å; G89-I92 PolarHBondContact O-N 3.49Å; S90-I92 PolarHBondContact O-N 3Å; I92-K96 WeakPolarHBondContact O-CB 3.43Å; I92-K96 PolarHBondContact O-N 3.4Å |
| 93 | Q | 86.5 | Confident | 79.8 | Confident | 120 Ų | 120 | 77.8 Ų | 77.8 | 56% | 0.561 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -68.4 | -49.4 | 176.5 | 179.7 | 167 | -13.2 | 0 | 0 | 111.2 | S90 A91 L95 K96 E97 | S90-Q93 WeakPolarHBondContact O-CB 3.31Å; S90-Q93 PolarHBondContact O-N 2.86Å; A91-Q93 VanDerWaalsContact C-N 3.25Å; A91-Q93 PolarHBondContact O-N 3.09Å; Q93-L95 VanDerWaalsContact C-N 3.31Å; Q93-L95 PolarHBondContact O-N 3.05Å; Q93-K96 WeakPolarHBondContact O-CB 3.38Å; Q93-K96 PolarHBondContact O-N 2.71Å; Q93-K96 VanDerWaalsContact O-N 3.09Å; Q93-E97 HydrophobicContact CG-CG 4.45Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.46Å; Q93-E97 PolarHBondContact NE2-OE1 2.72Å; Q93-E97 WeakPolarHBondContact O-CG 3.46Å; Q93-E97 PolarHBondContact O-N 2.81Å |
| 94 | V | 84.3 | Confident | 77.4 | Confident | 14 Ų | 14 | 86.4 Ų | 86.4 | 9% | 0.085 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -52.9 | -49.8 | 174.1 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | V71 Q74 S90 A91 K96 E97 W98 | V71-V94 HydrophobicContact CG2-CG1 4.4Å; Q74-V94 HydrophobicContact CB-CG1 3.73Å; Q74-V94 HydrophobicContact CG-CG1 3.72Å; Q74-V94 HydrophobicContact CG-CG2 3.96Å; S90-V94 PolarHBondContact O-N 2.79Å; A91-V94 PolarHBondContact O-N 3.03Å; V94-K96 VanDerWaalsContact C-N 3.33Å; V94-K96 PolarHBondContact O-N 3.16Å; V94-E97 PolarHBondContact O-N 2.86Å; V94-W98 PolarHBondContact O-N 3.45Å |
| 95 | L | 88.5 | Confident | 75.3 | Confident | 16 Ų | 16 | 90.8 Ų | 90.8 | 8% | 0.084 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -67.4 | -31.5 | -179.5 | -67.8 | 168.9 | 0 | 0 | 0 | 113 | E67 L70 V71 F86 A91 Q93 N99 | E67-L95 HydrophobicContact CB-CD1 3.86Å; E67-L95 HydrophobicContact CB-CD2 3.87Å; E67-L95 HydrophobicContact CG-CD1 3.95Å; E67-L95 HydrophobicContact CG-CD2 4.01Å; L70-L95 HydrophobicContact CB-CD2 3.89Å; L70-L95 HydrophobicContact CD1-CD2 3.94Å; V71-L95 HydrophobicContact CG2-CD1 4.17Å; V71-L95 HydrophobicContact CG2-CD2 4.1Å; V71-L95 HydrophobicContact CG2-CG 3.93Å; F86-L95 HydrophobicContact CE1-CD1 4.02Å; A91-L95 WeakPolarHBondContact O-CB 3.32Å; A91-L95 VanDerWaalsContact O-CG 3.22Å; A91-L95 WeakPolarHBondContact O-CG 3.14Å; A91-L95 PolarHBondContact O-N 3.42Å; Q93-L95 VanDerWaalsContact C-N 3.31Å; Q93-L95 PolarHBondContact O-N 3.05Å; L95-N99 VanDerWaalsContact O-CB 3.25Å; L95-N99 WeakPolarHBondContact O-CB 3.44Å; L95-N99 PolarHBondContact O-N 3.24Å; L95-N99 PolarHBondContact O-ND2 3.06Å |
| 96 | K | 85.5 | Confident | 72.4 | Confident | 146 Ų | 146 | 98 Ų | 98 | 64% | 0.635 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71.3 | -42.2 | 175.9 | -180 | -177.3 | 177.3 | -172.2 | 0 | 111.8 | I92 Q93 V94 N99 M100 | I92-K96 WeakPolarHBondContact O-CB 3.43Å; I92-K96 PolarHBondContact O-N 3.4Å; Q93-K96 WeakPolarHBondContact O-CB 3.38Å; Q93-K96 PolarHBondContact O-N 2.71Å; Q93-K96 VanDerWaalsContact O-N 3.09Å; V94-K96 VanDerWaalsContact C-N 3.33Å; V94-K96 PolarHBondContact O-N 3.16Å; K96-N99 WeakPolarHBondContact O-CB 3.39Å; K96-N99 PolarHBondContact O-N 2.94Å; K96-M100 WeakPolarHBondContact O-CG 3.44Å; K96-M100 PolarHBondContact O-N 3.45Å |
| 97 | E | 79.9 | Confident | 69.4 | Low | 102 Ų | 102 | 103.6 Ų | 103.6 | 48% | 0.477 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.8 | -49.2 | 176.4 | -72.4 | 167.9 | -170.8 | 0 | 0 | 110.5 | Q93 V94 N99 M100 | Q93-E97 HydrophobicContact CG-CG 4.45Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.46Å; Q93-E97 PolarHBondContact NE2-OE1 2.72Å; Q93-E97 WeakPolarHBondContact O-CG 3.46Å; Q93-E97 PolarHBondContact O-N 2.81Å; V94-E97 PolarHBondContact O-N 2.86Å; E97-N99 VanDerWaalsContact C-N 3.26Å; E97-N99 PolarHBondContact O-N 3.22Å; E97-M100 WeakPolarHBondContact O-CB 3.41Å; E97-M100 PolarHBondContact O-N 2.61Å |
| 98 | W | 73.8 | Confident | 66.9 | Low | 107 Ų | 107 | 107.3 Ų | 107.3 | 41% | 0.405 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.9 | -34.6 | 171.6 | -85.5 | 88.6 | 0 | 0 | 0 | 113.2 | L70 V94 M100 T101 | L70-W98 HydrophobicContact CD2-CD2 3.81Å; L70-W98 HydrophobicContact CD2-CE3 3.71Å; L70-W98 HydrophobicContact CD2-CG 4.28Å; L70-W98 HydrophobicContact CD2-CH2 4.49Å; L70-W98 HydrophobicContact CD2-CZ3 4.07Å; V94-W98 PolarHBondContact O-N 3.45Å; W98-M100 PolarHBondContact O-N 3.05Å; W98-T101 PolarHBondContact O-N 3.4Å |
| 99 | N | 68.1 | Low | 64.6 | Low | 89 Ų | 89 | 114.5 Ų | 114.5 | 48% | 0.476 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.9 | -9.8 | 174.7 | -98 | -89.4 | 0 | 0 | 0 | 114.9 | L95 K96 E97 K103 | L95-N99 VanDerWaalsContact O-CB 3.25Å; L95-N99 WeakPolarHBondContact O-CB 3.44Å; L95-N99 PolarHBondContact O-N 3.24Å; L95-N99 PolarHBondContact O-ND2 3.06Å; K96-N99 WeakPolarHBondContact O-CB 3.39Å; K96-N99 PolarHBondContact O-N 2.94Å; E97-N99 VanDerWaalsContact C-N 3.26Å; E97-N99 PolarHBondContact O-N 3.22Å; N99-K103 VanDerWaalsContact O-CE 3.27Å; N99-K103 WeakPolarHBondContact O-CE 3.24Å |
| 100 | M | 51 | Low | 62.4 | Low | 149 Ų | 149 | 122.8 Ų | 122.8 | 73% | 0.734 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -30.2 | 174.2 | -62.7 | -140.4 | 62.2 | 0 | 0 | 112.3 | K96 E97 W98 G102 | K96-M100 WeakPolarHBondContact O-CG 3.44Å; K96-M100 PolarHBondContact O-N 3.45Å; E97-M100 WeakPolarHBondContact O-CB 3.41Å; E97-M100 PolarHBondContact O-N 2.61Å; W98-M100 PolarHBondContact O-N 3.05Å; M100-G102 VanDerWaalsContact C-N 3.29Å; M100-G102 PolarHBondContact O-N 3.45Å |
| 101 | T | 55.3 | Low | 59.8 | Low | 128 Ų | 128 | 132.3 Ų | 132.3 | 79% | 0.785 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -11.8 | -177 | -52.2 | 0 | 0 | 0 | 0 | 113.9 | W98 | W98-T101 PolarHBondContact O-N 3.4Š|
| 102 | G | 53.2 | Low | 57.2 | Low | 62 Ų | 62 | 138 Ų | 138 | 64% | 0.639 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | -1.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | M100 K104 | M100-G102 VanDerWaalsContact C-N 3.29Å; M100-G102 PolarHBondContact O-N 3.45Å; G102-K104 PolarHBondContact O-N 3.39Å |
| 103 | K | 43.8 | Very low | 54.8 | Low | 164 Ų | 164 | 142.4 Ų | 142.4 | 71% | 0.713 | 67% | 0.674 | S | S | * | * | trans | -86.4 | 66.6 | -162.2 | -74.4 | 179.8 | 178.2 | 171.1 | 0 | 116.4 | N99 K105 | N99-K103 VanDerWaalsContact O-CE 3.27Å; N99-K103 WeakPolarHBondContact O-CE 3.24Å; K103-K105 PolarHBondContact O-N 3.31Å | ||
| 104 | K | 42.4 | Very low | 52.2 | Low | 203 Ų | 203 | 142.4 Ų | 142.4 | 88% | 0.883 | 69% | 0.687 | S | S | * | * | trans | -84.6 | 91.3 | 166.2 | -168 | 170.9 | -176.1 | 174 | 0 | 112.3 | G102 N106 | G102-K104 PolarHBondContact O-N 3.39Å; K104-N106 PolarHBondContact O-N 2.95Å | ||
| 105 | K | 49.2 | Very low | 49.9 | Very low | 190 Ų | 190 | 150.9 Ų | 150.9 | 83% | 0.826 | 72% | 0.722 | S | S | * | * | trans | -64.7 | 105.8 | 176.8 | -173.9 | 175.8 | -176.8 | 175.2 | 0 | 111.8 | K103 | K103-K105 PolarHBondContact O-N 3.31Š| ||
| 106 | N | 33.5 | Very low | 47.3 | Very low | 157 Ų | 157 | 158 Ų | 158 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | trans | -70.7 | 135.5 | 171.9 | -174.8 | 5.5 | 0 | 0 | 0 | 110.5 | K104 | K104-N106 PolarHBondContact O-N 2.95Š| ||
| 107 | N | 30.3 | Very low | 44.8 | Very low | 133 Ų | 133 | 158.7 Ų | 158.7 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | -142.4 | 104.1 | 179.2 | -161.8 | 2.2 | 0 | 0 | 0 | 111.9 | ||||
| 108 | K | 38.6 | Very low | 42.6 | Very low | 176 Ų | 176 | 161.4 Ų | 161.4 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | 60.4 | 101.9 | 148 | -170.8 | -179.8 | -173.3 | 174.6 | 0 | 119 | ||||
| 109 | R | 41.6 | Very low | 40.5 | Very low | 254 Ų | 254 | 159.5 Ų | 159.5 | 96% | 0.958 | 79% | 0.787 | S | S | * | * | trans | -158.3 | 153.8 | 135 | -107.2 | 157.7 | -161.8 | -138.6 | 2.8 | 112.9 | ||||
| 110 | K | 40.2 | Very low | 38.7 | Very low | 204 Ų | 204 | 161.8 Ų | 161.8 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | -100.4 | 142.4 | -155.7 | -51.6 | 168.1 | 177.2 | 177.1 | 0 | 115.1 | ||||
| 111 | R | 33.5 | Very low | 38 | Very low | 255 Ų | 255 | 162.5 Ų | 162.5 | 96% | 0.962 | 80% | 0.798 | S | S | * | * | trans | -175.4 | 148.7 | 131.3 | -137.5 | 164.8 | 175.4 | 163.3 | -3.4 | 106.8 | ||||
| 112 | S | 36.5 | Very low | 37 | Very low | 121 Ų | 121 | 163.4 Ų | 163.4 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | cis | -124.1 | -149.5 | 11.4 | 60.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 113 | K | 35.8 | Very low | 36.1 | Very low | 201 Ų | 201 | 164.3 Ų | 164.3 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -147.6 | 119.5 | -163.6 | 174.2 | -172.4 | 175.6 | -176.8 | 0 | 113.4 | ||||
| 114 | S | 31.7 | Very low | 35.5 | Very low | 120 Ų | 120 | 165.4 Ų | 165.4 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -153.1 | 142.6 | 155.2 | 50.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 115 | K | 35.8 | Very low | 34.9 | Very low | 191 Ų | 191 | 161.6 Ų | 161.6 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | -49 | 159.1 | 172.9 | -64.3 | 170.8 | 168.1 | -177.5 | 0 | 112.4 | ||||
| 116 | Q | 33.8 | Very low | 34.3 | Very low | 166 Ų | 166 | 160.2 Ų | 160.2 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | cis | -134 | 153.7 | 29.5 | -114.7 | 143.6 | -74.3 | 0 | 0 | 111.9 | ||||
| 117 | H | 32.3 | Very low | 34.2 | Very low | 160 Ų | 160 | 158.1 Ų | 158.1 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | 48.3 | 130.9 | 104.4 | -68.1 | 17.5 | 0 | 0 | 0 | 115.2 | |||||
| 118 | Q | 35 | Very low | 34 | Very low | 159 Ų | 159 | 160.4 Ų | 160.4 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | cis | -139.2 | 155.3 | -1.4 | -143.7 | 90.8 | -16.2 | 0 | 0 | 106.2 | ||||
| 119 | G | 28.8 | Very low | 33.9 | Very low | 67 Ų | 67 | 161.3 Ų | 161.3 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | 62.4 | 125.4 | 68.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 120 | N | 29.9 | Very low | 34 | Very low | 137 Ų | 137 | 154.8 Ų | 154.8 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | cis | -170.7 | 168.8 | -0.9 | -161.7 | 7.2 | 0 | 0 | 0 | 111 | ||||
| 121 | K | 35.8 | Very low | 33.4 | Very low | 165 Ų | 165 | 151.2 Ų | 151.2 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | trans | 68.6 | 132.1 | 160.4 | -75.9 | 169.2 | 177.9 | -171.2 | 0 | 117.6 | ||||
| 122 | D | 34.6 | Very low | 33.2 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | 76.8 | 135.7 | 60.1 | -68.6 | -56.3 | 0 | 0 | 0 | 113.3 | |||||
| 123 | A | 34.1 | Very low | 32.5 | Very low | 81 Ų | 81 | 141 Ų | 141 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | cis | -169.3 | 170.6 | -12.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 124 | K | 31.8 | Very low | 32.8 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | trans | 66.1 | 110.2 | 142.8 | -157.3 | 161.5 | -175.8 | -177.7 | 0 | 118 | ||||
| 125 | D | 29.9 | Very low | 32.6 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 65% | 0.652 | 74% | 0.744 | S | S | * | * | 70.2 | 121 | 95.5 | -148.3 | 32.4 | 0 | 0 | 0 | 111 | |||||
| 126 | K | 36.2 | Very low | 32.1 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 70% | 0.7 | 74% | 0.744 | S | S | * | * | -169.3 | 166.7 | 50.7 | -89.1 | -157.3 | 169.4 | -156.6 | 0 | 114.2 | |||||
| 127 | V | 31.8 | Very low | 32.4 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | trans | 43.4 | 135 | 132.6 | -177.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 128 | E | 26.6 | Very low | 32.1 | Very low | 180 Ų | 180 | 136.9 Ų | 136.9 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | cis | -155.8 | -177.3 | 47.3 | -150 | 149.4 | 138.5 | 0 | 0 | 114.4 | ||||
| 129 | R | 35.9 | Very low | 32.6 | Very low | 196 Ų | 196 | 134.4 Ų | 134.4 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | trans | -127.6 | 123.1 | 171.6 | 164 | -178.3 | 164.5 | 171.5 | 0.5 | 111.2 | E131 | R129-E131 IonicContact CZ-OE1 2.81Å; R129-E131 IonicContact NE-OE1 2.71Å; R129-E131 PolarHBondContact NE-OE1 2.99Å; R129-E131 IonicContact NH2-OE1 3.31Å; R129-E131 PolarHBondContact NH2-OE1 3.4Å; R129-E131 IonicContact NH2-OE2 2.71Å | ||
| 130 | P | 43.1 | Very low | 33.6 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | trans | -144.7 | 167.1 | 132.3 | 37.3 | -22.8 | 0 | 0 | 0 | 113.4 | ||||
| 131 | E | 28.2 | Very low | 33.5 | Very low | 130 Ų | 130 | 138 Ų | 138 | 61% | 0.607 | 75% | 0.745 | S | S | * | * | cis | -164.6 | -177 | -30.3 | -112.4 | -38.5 | 120.4 | 0 | 0 | 110.5 | R129 | R129-E131 IonicContact CZ-OE1 2.81Å; R129-E131 IonicContact NE-OE1 2.71Å; R129-E131 PolarHBondContact NE-OE1 2.99Å; R129-E131 IonicContact NH2-OE1 3.31Å; R129-E131 PolarHBondContact NH2-OE1 3.4Å; R129-E131 IonicContact NH2-OE2 2.71Å | ||
| 132 | A | 28.5 | Very low | 33.5 | Very low | 91 Ų | 91 | 137.2 Ų | 137.2 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | trans | 80.4 | 151.8 | 165 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 133 | G | 22.3 | Very low | 33.2 | Very low | 70 Ų | 70 | 137.6 Ų | 137.6 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | -116.5 | -142.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 134 | P | 42.8 | Very low | 32.9 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | cis | -144.6 | -166.3 | -2.8 | 42.8 | -22.5 | 0 | 0 | 0 | 115.6 | ||||
| 135 | L | 26.5 | Very low | 32.7 | Very low | 169 Ų | 169 | 135.2 Ų | 135.2 | 89% | 0.885 | 75% | 0.746 | S | S | * | * | trans | 84.3 | 168.3 | 153.4 | -69.3 | 174.2 | 0 | 0 | 0 | 123.5 | ||||
| 136 | Q | 26.1 | Very low | 33.7 | Very low | 176 Ų | 176 | 135.4 Ų | 135.4 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -103.9 | -165.2 | -159.4 | -105.8 | -176.9 | -8.2 | 0 | 0 | 113.2 | ||||
| 137 | P | 40.6 | Very low | 33.3 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | cis | -142.4 | 158.8 | -34.4 | 35.9 | -16.3 | 0 | 0 | 0 | 118.5 | ||||
| 138 | Q | 25.4 | Very low | 33.3 | Very low | 184 Ų | 184 | 138.8 Ų | 138.8 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | 59.9 | -167.2 | 152.2 | -58.8 | -160.6 | 6.4 | 0 | 0 | 121.5 | ||||
| 139 | P | 45.7 | Very low | 33.3 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | -130.8 | -149.1 | -96.7 | 47 | -28.6 | 0 | 0 | 0 | 113.8 | |||||
| 140 | P | 49.7 | Very low | 33.3 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | cis | -133.3 | -167.5 | -28.8 | 37.6 | -17 | 0 | 0 | 0 | 116.3 | ||||
| 141 | Q | 28.4 | Very low | 32.8 | Very low | 171 Ų | 171 | 130.9 Ų | 130.9 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | trans | 108.6 | 146 | 143.8 | -89.9 | -170.1 | 11.1 | 0 | 0 | 126.1 | ||||
| 142 | I | 34.8 | Very low | 33.1 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | 84 | 149.1 | 153.6 | -100.1 | 169.3 | 0 | 0 | 0 | 118.5 | ||||
| 143 | Q | 28.7 | Very low | 33.1 | Very low | 155 Ų | 155 | 132.7 Ų | 132.7 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | cis | -147.7 | -136.7 | 10.1 | -144.6 | -152.3 | 93.6 | 0 | 0 | 116.8 | ||||
| 144 | N | 28.3 | Very low | 33.6 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | -107.2 | -173.1 | -168.1 | -57.3 | -47.5 | 0 | 0 | 0 | 114.5 | ||||
| 145 | G | 27.1 | Very low | 33.3 | Very low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 73% | 0.731 | S | S | * | * | cis | 177.6 | 177.3 | 2.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 146 | P | 51.6 | Low | 33.8 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -131.1 | 175.2 | -161.1 | 43.7 | -30.2 | 0 | 0 | 0 | 119.4 | ||||
| 147 | M | 28.3 | Very low | 34.1 | Very low | 185 Ų | 185 | 123 Ų | 123 | 91% | 0.911 | 71% | 0.71 | S | S | * | * | trans | -161.8 | -178.1 | 159.6 | -156.2 | 39.8 | 72 | 0 | 0 | 116 | ||||
| 148 | N | 31.1 | Very low | 33.5 | Very low | 162 Ų | 162 | 125.2 Ų | 125.2 | 87% | 0.866 | 72% | 0.717 | S | S | * | * | trans | -146.5 | 178.6 | -142.2 | -146.1 | 2.9 | 0 | 0 | 0 | 118.8 | ||||
| 149 | G | 26.6 | Very low | 34.1 | Very low | 68 Ų | 68 | 121.1 Ų | 121.1 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | trans | 123.9 | 168.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 150 | C | 35.7 | Very low | 33.6 | Very low | 115 Ų | 115 | 121 Ų | 121 | 78% | 0.777 | 72% | 0.716 | S | S | * | * | cis | -174.3 | 168 | -26.2 | -149.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 151 | E | 31.8 | Very low | 32.6 | Very low | 142 Ų | 142 | 122.4 Ų | 122.4 | 66% | 0.664 | 72% | 0.718 | S | S | * | * | trans | 67 | 159.1 | 162.8 | -49.7 | -65.2 | 52.1 | 0 | 0 | 121 | ||||
| 152 | K | 34.4 | Very low | 32.6 | Very low | 149 Ų | 149 | 122.2 Ų | 122.2 | 65% | 0.648 | 72% | 0.717 | S | S | * | * | cis | -154.5 | -178.8 | -8.1 | -141 | 64.9 | -153.8 | -179.5 | 0 | 116.6 | ||||
| 153 | D | 30.2 | Very low | 32.7 | Very low | 110 Ų | 110 | 124 Ų | 124 | 59% | 0.588 | 72% | 0.719 | S | S | * | * | trans | -94.7 | -174.2 | -159.5 | -49 | -47.5 | 0 | 0 | 0 | 121.4 | ||||
| 154 | S | 32.9 | Very low | 33.3 | Very low | 83 Ų | 83 | 121.7 Ų | 121.7 | 58% | 0.58 | 72% | 0.718 | S | S | * | * | trans | 119.7 | 118.7 | 131.2 | 71 | 0 | 0 | 0 | 0 | 122.5 | K527 | S154-K527 VanDerWaalsContact O-CD 3.24Å; S154-K527 WeakPolarHBondContact O-CD 3.25Å; S154-K527 WeakPolarHBondContact O-CE 3.21Å; S154-K527 PolarHBondContact O-NZ 2.71Å | ||
| 155 | S | 36 | Very low | 33.4 | Very low | 52 Ų | 52 | 118.7 Ų | 118.7 | 36% | 0.364 | 71% | 0.713 | S | S | . | * | trans | 35.9 | 170.2 | 149.4 | -46.8 | 0 | 0 | 0 | 0 | 123.8 | K527 N528 | S155-K527 CarbonylContact C-O 3.58Å; S155-K527 WeakPolarHBondContact O-CB 3.11Å; S155-K527 WeakPolarHBondContact O-CD 3.12Å; S155-N528 PolarHBondContact OG-ND2 2.71Å | ||
| 156 | S | 37.4 | Very low | 33.5 | Very low | 81 Ų | 81 | 123.2 Ų | 123.2 | 57% | 0.566 | 72% | 0.72 | S | S | * | * | cis | -154.9 | -165.1 | 7.7 | -142.2 | 0 | 0 | 0 | 0 | 116.3 | K527 N528 | S156-K527 CarbonylContact C-O 3.56Å; S156-K527 VanDerWaalsContact CA-O 3.29Å; S156-K527 WeakPolarHBondContact CA-O 3.27Å; S156-K527 PolarHBondContact N-O 3.2Å; S156-N528 WeakPolarHBondContact CA-OD1 3.27Å | ||
| 157 | T | 32.2 | Very low | 32.6 | Very low | 115 Ų | 115 | 123.6 Ų | 123.6 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | trans | -101.3 | 171.8 | -167.1 | 51.7 | 0 | 0 | 0 | 0 | 120.9 | N528 | T157-N528 WeakPolarHBondContact CG2-OD1 3.47Š| ||
| 158 | D | 27.7 | Very low | 33.4 | Very low | 150 Ų | 150 | 119.8 Ų | 119.8 | 80% | 0.802 | 71% | 0.709 | S | S | * | * | trans | 115.4 | 180 | 138.8 | -149.3 | 25.9 | 0 | 0 | 0 | 121.5 | ||||
| 159 | S | 37.3 | Very low | 33.6 | Very low | 99 Ų | 99 | 122.4 Ų | 122.4 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | trans | -134.3 | 167.2 | -132.7 | -52.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 160 | A | 34.6 | Very low | 33.9 | Very low | 103 Ų | 103 | 125.4 Ų | 125.4 | 85% | 0.851 | 70% | 0.702 | S | S | * | * | trans | 61.7 | 134.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 161 | N | 29.3 | Very low | 33.9 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | -171.7 | 165 | 71.9 | -177.9 | 34.7 | 0 | 0 | 0 | 113.6 | |||||
| 162 | E | 28.9 | Very low | 34.1 | Very low | 167 Ų | 167 | 132.2 Ų | 132.2 | 78% | 0.78 | 72% | 0.716 | S | S | * | * | trans | 71.8 | 149.6 | 154.2 | -107.1 | 179.4 | 124.2 | 0 | 0 | 126.4 | ||||
| 163 | K | 35.9 | Very low | 34.1 | Very low | 186 Ų | 186 | 132.5 Ų | 132.5 | 81% | 0.809 | 72% | 0.723 | S | S | * | * | trans | -108.7 | -164.5 | 172.7 | -127.6 | -167.8 | 178.9 | 176.2 | 0 | 107 | ||||
| 164 | P | 42 | Very low | 34 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | cis | -138.9 | 157 | 14.7 | 40.7 | -21.2 | 0 | 0 | 0 | 119 | ||||
| 165 | A | 29.5 | Very low | 34.1 | Very low | 83 Ų | 83 | 136.1 Ų | 136.1 | 69% | 0.686 | 74% | 0.743 | S | S | * | * | trans | 61.2 | 166.1 | 147.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 166 | L | 30.2 | Very low | 34.3 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | cis | -131.1 | -174.6 | 6.9 | -83.6 | 169.2 | 0 | 0 | 0 | 112.2 | ||||
| 167 | V | 32.1 | Very low | 33.8 | Very low | 135 Ų | 135 | 143.2 Ų | 143.2 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -139.3 | -178 | -177 | -115.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 168 | P | 46.7 | Very low | 33.8 | Very low | 105 Ų | 105 | 144.6 Ų | 144.6 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | cis | -139.4 | -167.4 | -18.5 | 31.9 | -9 | 0 | 0 | 0 | 114.7 | ||||
| 169 | R | 34.8 | Very low | 34.3 | Very low | 217 Ų | 217 | 142.6 Ų | 142.6 | 82% | 0.819 | 76% | 0.764 | S | S | * | * | trans | 73.3 | 161.1 | 142.3 | -102.7 | -176 | 176.7 | -134 | 6.7 | 118.3 | ||||
| 170 | E | 31.8 | Very low | 33.9 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 61% | 0.612 | 76% | 0.758 | S | S | * | * | cis | -133.7 | 164.6 | 2.1 | -66.9 | -156.7 | 142.4 | 0 | 0 | 113.6 | ||||
| 171 | K | 35.5 | Very low | 33.7 | Very low | 214 Ų | 214 | 146.6 Ų | 146.6 | 93% | 0.93 | 76% | 0.761 | S | S | * | * | trans | -129.9 | 140.7 | 147.6 | -78.1 | -174.8 | 177.8 | 179.4 | 0 | 108.3 | ||||
| 172 | K | 37.2 | Very low | 33.6 | Very low | 186 Ų | 186 | 144.4 Ų | 144.4 | 81% | 0.809 | 76% | 0.762 | S | S | * | * | trans | -124.6 | 142 | -178 | -165.9 | 173 | -178.1 | 178.7 | 0 | 111.3 | ||||
| 173 | I | 33.9 | Very low | 33.5 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 80% | 0.795 | 76% | 0.76 | S | S | * | * | trans | -117.9 | 152 | 179.9 | -56.9 | 166.4 | 0 | 0 | 0 | 107.7 | ||||
| 174 | S | 27.4 | Very low | 33.1 | Very low | 113 Ų | 113 | 145 Ų | 145 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -132.2 | 146.3 | 170.4 | -62.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 175 | I | 36.1 | Very low | 32.2 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | -127.1 | 147 | 177 | -24.8 | 177.3 | 0 | 0 | 0 | 106.9 | ||||
| 176 | P | 39.8 | Very low | 32.2 | Very low | 105 Ų | 105 | 145.6 Ų | 145.6 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | -145.1 | -174 | 93.9 | 45.5 | -30.3 | 0 | 0 | 0 | 111.2 | |||||
| 177 | E | 27.5 | Very low | 32 | Very low | 177 Ų | 177 | 143.3 Ų | 143.3 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | cis | -156.9 | 174.6 | -5.6 | -136.8 | 162.4 | 87.2 | 0 | 0 | 110.7 | ||||
| 178 | E | 31.4 | Very low | 31.8 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 67% | 0.668 | 77% | 0.765 | S | S | * | * | trans | -148.6 | 145.4 | 159.7 | -160.6 | -139.8 | 116.1 | 0 | 0 | 108.3 | S180 | E178-S180 VanDerWaalsContact OE1-CA 3.3Å; E178-S180 WeakPolarHBondContact OE1-CA 3.45Å; E178-S180 WeakPolarHBondContact OE1-CB 3.23Å; E178-S180 PolarHBondContact OE1-N 3.48Å; E178-S180 PolarHBondContact OE1-OG 3.09Å | ||
| 179 | P | 37.9 | Very low | 30.8 | Very low | 108 Ų | 108 | 144.9 Ų | 144.9 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | -153.1 | 117.5 | 110.1 | 34.3 | -14.2 | 0 | 0 | 0 | 117.7 | |||||
| 180 | S | 29.7 | Very low | 30.4 | Very low | 81 Ų | 81 | 141.9 Ų | 141.9 | 57% | 0.566 | 77% | 0.771 | S | S | * | * | 64.8 | 154.5 | 118.1 | -56.6 | 0 | 0 | 0 | 0 | 124.2 | E178 | E178-S180 VanDerWaalsContact OE1-CA 3.3Å; E178-S180 WeakPolarHBondContact OE1-CA 3.45Å; E178-S180 WeakPolarHBondContact OE1-CB 3.23Å; E178-S180 PolarHBondContact OE1-N 3.48Å; E178-S180 PolarHBondContact OE1-OG 3.09Å | |||
| 181 | K | 30.1 | Very low | 30.4 | Very low | 206 Ų | 206 | 146 Ų | 146 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | trans | 86.3 | 140.6 | 162.8 | -56.3 | 171.8 | -171.8 | 173 | 0 | 116.9 | ||||
| 182 | A | 26.7 | Very low | 30.1 | Very low | 92 Ų | 92 | 142.2 Ų | 142.2 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | cis | -165.1 | 139.3 | -11.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 183 | L | 27.3 | Very low | 29.7 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | 72.6 | 114.9 | 133.1 | -151.5 | 91.8 | 0 | 0 | 0 | 125.3 | ||||
| 184 | R | 26.5 | Very low | 29.4 | Very low | 224 Ų | 224 | 138.8 Ų | 138.8 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | 69.9 | 148.6 | 144.1 | -93.8 | -169.9 | -97.2 | -115.5 | 1.1 | 124.2 | ||||
| 185 | G | 24.7 | Very low | 29.3 | Very low | 67 Ų | 67 | 142.7 Ų | 142.7 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | 112.4 | 101.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 186 | V | 28.6 | Very low | 29 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | cis | 78.3 | 130.2 | 43.7 | -172.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 187 | T | 25.3 | Very low | 28.4 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | trans | 84 | 101.3 | 175.6 | -51 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 188 | E | 28.7 | Very low | 28.2 | Very low | 194 Ų | 194 | 142.7 Ų | 142.7 | 91% | 0.907 | 77% | 0.765 | S | S | * | * | 35.2 | 119.6 | 122.4 | -159.4 | 171.1 | -146.2 | 0 | 0 | 119.9 | |||||
| 189 | G | 26.2 | Very low | 28.1 | Very low | 79 Ų | 79 | 143.8 Ų | 143.8 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | trans | -165.7 | 131.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 190 | N | 27 | Very low | 27.6 | Very low | 153 Ų | 153 | 146 Ų | 146 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -111.3 | 136.7 | -169.5 | -138.5 | -59.6 | 0 | 0 | 0 | 112 | ||||
| 191 | R | 30.4 | Very low | 27.5 | Very low | 218 Ų | 218 | 145.4 Ų | 145.4 | 82% | 0.823 | 79% | 0.788 | S | S | * | * | trans | 70.2 | 169.1 | 177.2 | -50.5 | -177.5 | 169.2 | -159.6 | -5.2 | 113.3 | ||||
| 192 | L | 28.8 | Very low | 27.4 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | cis | -170.6 | 154.1 | 34.2 | -177.3 | 51.2 | 0 | 0 | 0 | 114 | ||||
| 193 | L | 30.6 | Very low | 27.9 | Very low | 131 Ų | 131 | 143.2 Ų | 143.2 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | trans | 68.8 | 151.9 | 162.8 | -74.2 | 157.6 | 0 | 0 | 0 | 118.4 | ||||
| 194 | Q | 26.8 | Very low | 28 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 65% | 0.645 | 78% | 0.783 | S | S | * | * | cis | -163.1 | 141.3 | -22 | -160.7 | -173.6 | 72.9 | 0 | 0 | 112.4 | K196 | Q194-K196 HydrophobicContact CG-CB 4.01Š| ||
| 195 | Q | 25.8 | Very low | 28.4 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | trans | -155.2 | 89.9 | 134.9 | -142.1 | 175.7 | 42.4 | 0 | 0 | 108.4 | ||||
| 196 | K | 28.7 | Very low | 28.8 | Very low | 155 Ų | 155 | 145.1 Ų | 145.1 | 67% | 0.674 | 79% | 0.788 | S | S | * | * | 76.2 | 84.3 | 71.7 | -163.1 | -163.9 | 175.1 | -175.2 | 0 | 114.2 | Q194 | Q194-K196 HydrophobicContact CG-CB 4.01Š| |||
| 197 | L | 27.1 | Very low | 28.8 | Very low | 173 Ų | 173 | 147.3 Ų | 147.3 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -137.4 | 136 | 138.6 | -76.5 | -177.5 | 0 | 0 | 0 | 109 | ||||
| 198 | S | 24.7 | Very low | 28.8 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -158.2 | 127.8 | 178.5 | -57.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 199 | L | 29.5 | Very low | 28.8 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -179.7 | 105.8 | 148.9 | -124.4 | 50.5 | 0 | 0 | 0 | 104.8 | ||||
| 200 | D | 26.4 | Very low | 28.9 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | 81.2 | 149.5 | 75.5 | -172.1 | 39.5 | 0 | 0 | 0 | 113 | |||||
| 201 | G | 27.7 | Very low | 28.9 | Very low | 69 Ų | 69 | 145 Ų | 145 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | 148.9 | 62.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 202 | N | 28.7 | Very low | 28.7 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | trans | -119.5 | 117.4 | 172.9 | -178.5 | -10.5 | 0 | 0 | 0 | 111.8 | ||||
| 203 | P | 35.8 | Very low | 28.7 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | -100.5 | 115.8 | 167 | 33.9 | -25.7 | 0 | 0 | 0 | 112 | ||||
| 204 | K | 29.7 | Very low | 28.5 | Very low | 186 Ų | 186 | 143 Ų | 143 | 81% | 0.809 | 78% | 0.779 | S | S | * | * | trans | -87.7 | 156.5 | 164.6 | -97.2 | -176.7 | 175 | 178.7 | 0 | 111.6 | ||||
| 205 | P | 36.3 | Very low | 28.4 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | trans | -87.1 | 167.4 | -164.7 | 35.6 | -38 | 0 | 0 | 0 | 114.5 | ||||
| 206 | I | 31.5 | Very low | 28.6 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -119.2 | 147.9 | 170.2 | -64.4 | 179.5 | 0 | 0 | 0 | 110.1 | ||||
| 207 | H | 29.2 | Very low | 28.6 | Very low | 181 Ų | 181 | 138.5 Ų | 138.5 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -52.9 | 151 | -164.8 | -69.7 | -99.3 | 0 | 0 | 0 | 119.4 | ||||
| 208 | G | 26 | Very low | 28.4 | Very low | 80 Ų | 80 | 142 Ų | 142 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -161.7 | 127.4 | 152.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 209 | T | 28.7 | Very low | 28.6 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -103.8 | 153.2 | -170.3 | 45.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 210 | T | 26.9 | Very low | 28.7 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | trans | 146.1 | 110 | 134.1 | -63.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 211 | E | 28 | Very low | 28.7 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | 58.5 | 158.1 | 152.6 | -67.8 | -169.4 | 173 | 0 | 0 | 120.1 | ||||
| 212 | R | 26.3 | Very low | 28.6 | Very low | 210 Ų | 210 | 145.2 Ų | 145.2 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | cis | -168 | 157 | -18.8 | 159.7 | 179 | 167.5 | -173.8 | -1.4 | 109 | ||||
| 213 | S | 28.8 | Very low | 29.1 | Very low | 74 Ų | 74 | 144.7 Ų | 144.7 | 52% | 0.517 | 79% | 0.787 | S | S | . | * | trans | 74.8 | 129.9 | 160.2 | -91.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 214 | D | 25.7 | Very low | 28.6 | Very low | 155 Ų | 155 | 144.9 Ų | 144.9 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | 55.4 | 142.9 | 132.6 | -45.2 | -41.7 | 0 | 0 | 0 | 121.3 | ||||
| 215 | G | 25.9 | Very low | 28.4 | Very low | 62 Ų | 62 | 143.2 Ų | 143.2 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | cis | 155.1 | 141.9 | -4.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 216 | L | 29.1 | Very low | 28.8 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | trans | 66.7 | 133.3 | 178.4 | -46.7 | 177.3 | 0 | 0 | 0 | 114.2 | ||||
| 217 | Q | 27.8 | Very low | 28.6 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | cis | 71.7 | 103.8 | 38.3 | -161.7 | -179.8 | 38.9 | 0 | 0 | 113.6 | ||||
| 218 | W | 23.2 | Very low | 28.8 | Very low | 246 Ų | 246 | 141.9 Ų | 141.9 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -135.6 | 117.7 | 166.7 | -175.6 | -78.1 | 0 | 0 | 0 | 109.4 | ||||
| 219 | S | 28.3 | Very low | 29.6 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | trans | -83.9 | 143.9 | 173.1 | -62.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 220 | A | 31.6 | Very low | 29.7 | Very low | 89 Ų | 89 | 148.4 Ų | 148.4 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | -76 | 143 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 221 | E | 27 | Very low | 30 | Very low | 194 Ų | 194 | 147.3 Ų | 147.3 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | 178.6 | 124.1 | 132.5 | -101.2 | 175.6 | 155.5 | 0 | 0 | 111.6 | ||||
| 222 | Q | 26.6 | Very low | 30.6 | Very low | 191 Ų | 191 | 149.1 Ų | 149.1 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -159.1 | 125.8 | 152 | -134.1 | -170 | 31.1 | 0 | 0 | 111.1 | ||||
| 223 | P | 39.2 | Very low | 31 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -80.3 | 151.4 | 172.9 | -12 | 28.9 | 0 | 0 | 0 | 112.4 | ||||
| 224 | C | 23.9 | Very low | 31.1 | Very low | 125 Ų | 125 | 148 Ų | 148 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | trans | -113 | 131.2 | 176.5 | -175.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 225 | N | 26.4 | Very low | 31.8 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 82% | 0.821 | S | S | * | * | trans | -121.9 | 133.9 | 176.3 | -89.8 | -46.6 | 0 | 0 | 0 | 110.9 | ||||
| 226 | P | 43.8 | Very low | 32 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 74% | 0.74 | 83% | 0.834 | S | S | * | * | trans | -89.8 | 148.9 | -177.5 | 35.3 | -34.7 | 0 | 0 | 0 | 113 | ||||
| 227 | S | 27.5 | Very low | 32.3 | Very low | 126 Ų | 126 | 151.9 Ų | 151.9 | 88% | 0.881 | 83% | 0.834 | S | S | * | * | trans | -153.2 | 150 | 164.4 | -87.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 228 | K | 34.3 | Very low | 32.3 | Very low | 202 Ų | 202 | 149 Ų | 149 | 88% | 0.878 | 83% | 0.833 | S | S | * | * | trans | -99.9 | 135.9 | -173.3 | -59.3 | 169.2 | -178.1 | 171.6 | 0 | 110.8 | ||||
| 229 | P | 41.9 | Very low | 32.6 | Very low | 133 Ų | 133 | 144.6 Ų | 144.6 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -75.8 | 150.3 | 162.8 | 32.1 | -32.6 | 0 | 0 | 0 | 110.9 | ||||
| 230 | K | 31.1 | Very low | 32.9 | Very low | 210 Ų | 210 | 146.2 Ų | 146.2 | 91% | 0.913 | 83% | 0.833 | S | S | * | * | trans | -128.7 | 134 | 177.5 | -159.3 | 177.6 | -174.7 | -178 | 0 | 108.5 | ||||
| 231 | A | 34.4 | Very low | 33.3 | Very low | 94 Ų | 94 | 147.9 Ų | 147.9 | 78% | 0.777 | 84% | 0.837 | S | S | * | * | trans | -74.8 | 152.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 232 | K | 39.8 | Very low | 33.7 | Very low | 210 Ų | 210 | 143.1 Ų | 143.1 | 91% | 0.913 | 83% | 0.831 | S | S | * | * | trans | -140.8 | 155.8 | 157 | -80.7 | -165 | 174.7 | -175.5 | 0 | 109.4 | ||||
| 233 | T | 35 | Very low | 34.2 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 85% | 0.847 | 83% | 0.827 | S | S | * | * | trans | -126.9 | 139.9 | -166.4 | 49.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 234 | S | 30.4 | Very low | 34.2 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -164.7 | 153.3 | 142.4 | -139.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 235 | P | 40 | Very low | 35.1 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | -111.3 | 151 | -169.7 | 38.8 | -30.7 | 0 | 0 | 0 | 115.3 | ||||
| 236 | V | 31.2 | Very low | 35.9 | Very low | 152 Ų | 152 | 139 Ų | 139 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -134.2 | 144.8 | 152.9 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 237 | K | 35 | Very low | 36.1 | Very low | 197 Ų | 197 | 140.3 Ų | 140.3 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -101.3 | 141.1 | -175.7 | -56.5 | 172.8 | -177.3 | 174.4 | 0 | 111.1 | ||||
| 238 | S | 28.4 | Very low | 36.6 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | -179.6 | 143 | 121.2 | 36.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 239 | N | 28.9 | Very low | 37.5 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 50.7 | 100.1 | 147.1 | -57.7 | 13.6 | 0 | 0 | 0 | 120.8 | ||||
| 240 | T | 35.4 | Very low | 38 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | -54 | 155.5 | 138 | 6.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 241 | P | 38.6 | Very low | 38.7 | Very low | 125 Ų | 125 | 131 Ų | 131 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | -117 | 165 | 96.9 | 34.8 | -35.7 | 0 | 0 | 0 | 112.9 | |||||
| 242 | A | 35.9 | Very low | 39.6 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | trans | -81.4 | 125.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 243 | A | 37 | Very low | 40.3 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 80% | 0.802 | 72% | 0.72 | S | S | * | * | trans | -112.6 | 81.5 | 150.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | L245 | A243-L245 PolarHBondContact O-N 2.96Š| ||
| 244 | H | 39.3 | Very low | 41.3 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 60% | 0.602 | 71% | 0.71 | S | S | * | * | trans | -69 | 101.9 | 176.3 | 175.5 | -78.7 | 0 | 0 | 0 | 109 | E246 | H244-E246 IonicContact CD2-OE2 3.11Å; H244-E246 IonicContact CE1-OE2 2.94Å; H244-E246 PolarHBondContact CE1-OE2 3.18Å; H244-E246 VanDerWaalsContact NE2-CD 3.27Å; H244-E246 VanDerWaalsContact NE2-CG 3.27Å; H244-E246 WeakPolarHBondContact NE2-CG 3.38Å; H244-E246 IonicContact NE2-OE2 3.56Å; H244-E246 PolarHBondContact NE2-OE2 3.35Å | ||
| 245 | L | 43.5 | Very low | 42.6 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 80% | 0.796 | 71% | 0.709 | S | S | * | * | trans | -118.9 | 68.9 | 155.9 | -74.1 | 177.7 | 0 | 0 | 0 | 107.9 | A243 I247 | A243-L245 PolarHBondContact O-N 2.96Å; L245-I247 PolarHBondContact O-N 3.03Å | ||
| 246 | E | 41.6 | Very low | 43.5 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 56% | 0.556 | 70% | 0.696 | S | S | * | * | trans | -61.9 | 94.8 | 152.5 | -76.7 | -174.8 | 137 | 0 | 0 | 107.4 | H244 K248 | H244-E246 IonicContact CD2-OE2 3.11Å; H244-E246 IonicContact CE1-OE2 2.94Å; H244-E246 PolarHBondContact CE1-OE2 3.18Å; H244-E246 VanDerWaalsContact NE2-CD 3.27Å; H244-E246 VanDerWaalsContact NE2-CG 3.27Å; H244-E246 WeakPolarHBondContact NE2-CG 3.38Å; H244-E246 IonicContact NE2-OE2 3.56Å; H244-E246 PolarHBondContact NE2-OE2 3.35Å; E246-K248 HydrophobicContact CB-CG 4.15Å; E246-K248 PolarHBondContact O-N 3.35Å; E246-K248 VanDerWaalsContact OE2-CE 3.26Å; E246-K248 WeakPolarHBondContact OE2-CE 3.3Å | ||
| 247 | I | 47.8 | Very low | 44.9 | Very low | 142 Ų | 142 | 123.6 Ų | 123.6 | 73% | 0.728 | 68% | 0.675 | S | S | * | * | trans | -67.8 | 81.9 | 159.1 | -57.6 | 178.4 | 0 | 0 | 0 | 105.9 | L245 | L245-I247 PolarHBondContact O-N 3.03Š| ||
| 248 | K | 39.7 | Very low | 46.5 | Very low | 118 Ų | 118 | 119.8 Ų | 119.8 | 51% | 0.513 | 67% | 0.67 | S | S | . | * | trans | -57 | 131.6 | 177 | -75.2 | -172.2 | 173.6 | 179.6 | 0 | 107.9 | E246 D250 E251 | E246-K248 HydrophobicContact CB-CG 4.15Å; E246-K248 PolarHBondContact O-N 3.35Å; E246-K248 VanDerWaalsContact OE2-CE 3.26Å; E246-K248 WeakPolarHBondContact OE2-CE 3.3Å; K248-D250 PolarHBondContact O-N 3.31Å; K248-E251 PolarHBondContact O-N 3.45Å | ||
| 249 | P | 53.3 | Low | 48.6 | Very low | 124 Ų | 124 | 120.5 Ų | 120.5 | 81% | 0.805 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -59.4 | -18.1 | 177.4 | 23.5 | -33.1 | 0 | 0 | 0 | 112.8 | ||
| 250 | D | 50.6 | Low | 51.3 | Low | 98 Ų | 98 | 116.2 Ų | 116.2 | 52% | 0.524 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -74.6 | -21.6 | 176.7 | -165.9 | 65.9 | 0 | 0 | 0 | 115.2 | K248 K254 | K248-D250 PolarHBondContact O-N 3.31Å; D250-K254 IonicContact OD2-NZ 2.66Å; D250-K254 PolarHBondContact OD2-NZ 3.44Å |
| 251 | E | 46.8 | Very low | 53.7 | Low | 137 Ų | 137 | 114.4 Ų | 114.4 | 64% | 0.64 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -78 | -40 | 175.8 | -94.3 | -103.9 | 105 | 0 | 0 | 111.8 | K248 A253 K254 | K248-E251 PolarHBondContact O-N 3.45Å; E251-A253 PolarHBondContact O-N 3.02Å; E251-K254 PolarHBondContact O-N 3.49Å |
| 252 | L | 54 | Low | 56.1 | Low | 125 Ų | 125 | 116 Ų | 116 | 65% | 0.654 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.8 | -25.5 | -178.6 | -156.7 | 79 | 0 | 0 | 0 | 112.5 | ||
| 253 | A | 54.4 | Low | 58.8 | Low | 40 Ų | 40 | 114.1 Ų | 114.1 | 33% | 0.331 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62 | -42.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | E251 K255 R256 | E251-A253 PolarHBondContact O-N 3.02Å; A253-K255 VanDerWaalsContact C-N 3.27Å; A253-K255 PolarHBondContact O-N 2.9Å; A253-R256 WeakPolarHBondContact O-CB 3.47Å; A253-R256 PolarHBondContact O-N 3.07Å |
| 254 | K | 55.3 | Low | 61.5 | Low | 148 Ų | 148 | 111 Ų | 111 | 64% | 0.643 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.2 | -16.8 | -172.7 | -72.5 | 156.7 | -178.7 | 151.7 | 0 | 114.4 | D250 E251 | D250-K254 IonicContact OD2-NZ 2.66Å; D250-K254 PolarHBondContact OD2-NZ 3.44Å; E251-K254 PolarHBondContact O-N 3.49Å |
| 255 | K | 56.8 | Low | 64.2 | Low | 192 Ų | 192 | 111 Ų | 111 | 84% | 0.835 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -4.2 | 170.2 | -69.8 | -176.8 | 178.9 | 173.4 | 0 | 113.8 | A253 G257 | A253-K255 VanDerWaalsContact C-N 3.27Å; A253-K255 PolarHBondContact O-N 2.9Å; K255-G257 PolarHBondContact O-N 3.15Å |
| 256 | R | 59.8 | Low | 66.6 | Low | 122 Ų | 122 | 107.2 Ų | 107.2 | 46% | 0.46 | 55% | 0.55 | S | S | . | . | S | Bend | trans | -85.2 | 84.7 | 173.3 | -96.4 | -167 | 140.7 | 169.9 | -2.8 | 110.4 | A253 I260 | A253-R256 WeakPolarHBondContact O-CB 3.47Å; A253-R256 PolarHBondContact O-N 3.07Å; R256-I260 HydrophobicContact CB-CG2 3.4Å; R256-I260 VanDerWaalsContact CB-CG2 3.4Å; R256-I260 HydrophobicContact CG-CG2 3.55Å |
| 257 | G | 60.2 | Low | 69.2 | Low | 46 Ų | 46 | 107 Ų | 107 | 47% | 0.474 | 55% | 0.552 | S | S | . | * | trans | -50.5 | 139.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K255 N259 I260 | K255-G257 PolarHBondContact O-N 3.15Å; G257-N259 PolarHBondContact O-N 2.88Å; G257-I260 WeakPolarHBondContact O-CG2 3.42Å; G257-I260 PolarHBondContact O-N 3.23Å | ||
| 258 | P | 68.1 | Low | 71.6 | Confident | 118 Ų | 118 | 105.4 Ų | 105.4 | 77% | 0.766 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -21.2 | -152.3 | -31.9 | 36.2 | 0 | 0 | 0 | 118.5 | I260 | P258-I260 VanDerWaalsContact C-N 3.31Å; P258-I260 PolarHBondContact O-N 3.14Å |
| 259 | N | 72.4 | Confident | 74.3 | Confident | 124 Ų | 124 | 107.4 Ų | 107.4 | 66% | 0.663 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -58.5 | -40.4 | 173.4 | -177.2 | -73.6 | 0 | 0 | 0 | 112.6 | G257 E261 K262 S263 | G257-N259 PolarHBondContact O-N 2.88Å; N259-E261 PolarHBondContact O-N 3.25Å; N259-K262 WeakPolarHBondContact O-CB 3.38Å; N259-K262 PolarHBondContact O-N 3.45Å; N259-S263 PolarHBondContact O-N 3.36Å; N259-S263 VanDerWaalsContact O-N 3.15Å; N259-S263 PolarHBondContact O-OG 3.04Å; N259-S263 PolarHBondContact OD1-OG 3.49Å |
| 260 | I | 86.6 | Confident | 76.4 | Confident | 62 Ų | 62 | 104.3 Ų | 104.3 | 32% | 0.318 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.2 | -30.4 | -172.4 | -166.8 | 60.2 | 0 | 0 | 0 | 112.4 | R256 G257 P258 K262 S263 V264 | R256-I260 HydrophobicContact CB-CG2 3.4Å; R256-I260 VanDerWaalsContact CB-CG2 3.4Å; R256-I260 HydrophobicContact CG-CG2 3.55Å; G257-I260 WeakPolarHBondContact O-CG2 3.42Å; G257-I260 PolarHBondContact O-N 3.23Å; P258-I260 VanDerWaalsContact C-N 3.31Å; P258-I260 PolarHBondContact O-N 3.14Å; I260-K262 VanDerWaalsContact C-N 3.35Å; I260-S263 PolarHBondContact O-N 3.2Å; I260-V264 HydrophobicContact CG1-CG2 4.37Å; I260-V264 WeakPolarHBondContact O-CB 3.29Å; I260-V264 VanDerWaalsContact O-CG2 3.23Å; I260-V264 WeakPolarHBondContact O-CG2 3.47Å; I260-V264 PolarHBondContact O-N 3.32Å |
| 261 | E | 86.1 | Confident | 78.7 | Confident | 89 Ų | 89 | 103.2 Ų | 103.2 | 42% | 0.416 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 175.1 | -61.4 | -161.5 | 154.8 | 0 | 0 | 112.2 | N259 S263 V264 K265 | N259-E261 PolarHBondContact O-N 3.25Å; E261-S263 VanDerWaalsContact C-N 3.34Å; E261-V264 PolarHBondContact O-N 3.15Å; E261-K265 WeakPolarHBondContact O-CB 3.2Å; E261-K265 WeakPolarHBondContact O-CG 3.35Å; E261-K265 PolarHBondContact O-N 3.09Å |
| 262 | K | 89.8 | Confident | 81.1 | Confident | 158 Ų | 158 | 101.7 Ų | 101.7 | 69% | 0.687 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.3 | -44.7 | 174.3 | -174.6 | -179.4 | 178.7 | -178.7 | 0 | 110.5 | N259 I260 K265 D266 | N259-K262 WeakPolarHBondContact O-CB 3.38Å; N259-K262 PolarHBondContact O-N 3.45Å; I260-K262 VanDerWaalsContact C-N 3.35Å; K262-K265 PolarHBondContact O-N 2.9Å; K262-D266 PolarHBondContact O-N 3.44Å |
| 263 | S | 92.4 | Very high | 83.2 | Confident | 56 Ų | 56 | 98.3 Ų | 98.3 | 39% | 0.392 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.9 | -34.2 | 177.6 | -60.3 | 0 | 0 | 0 | 0 | 113.1 | N259 I260 E261 D266 L267 | N259-S263 PolarHBondContact O-N 3.36Å; N259-S263 VanDerWaalsContact O-N 3.15Å; N259-S263 PolarHBondContact O-OG 3.04Å; N259-S263 PolarHBondContact OD1-OG 3.49Å; I260-S263 PolarHBondContact O-N 3.2Å; E261-S263 VanDerWaalsContact C-N 3.34Å; S263-D266 PolarHBondContact O-N 3.01Å; S263-L267 WeakPolarHBondContact O-CB 3.45Å; S263-L267 PolarHBondContact O-N 2.95Å |
| 264 | V | 93.9 | Very high | 85.3 | Confident | 31 Ų | 31 | 100.4 Ų | 100.4 | 19% | 0.188 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -68.1 | -46.9 | 173.4 | 164.7 | 0 | 0 | 0 | 0 | 111.3 | I260 E261 D266 L267 Q268 | I260-V264 HydrophobicContact CG1-CG2 4.37Å; I260-V264 WeakPolarHBondContact O-CB 3.29Å; I260-V264 VanDerWaalsContact O-CG2 3.23Å; I260-V264 WeakPolarHBondContact O-CG2 3.47Å; I260-V264 PolarHBondContact O-N 3.32Å; E261-V264 PolarHBondContact O-N 3.15Å; V264-D266 PolarHBondContact O-N 2.9Å; V264-L267 PolarHBondContact O-N 3.48Å; V264-Q268 VanDerWaalsContact O-CD 3.28Å; V264-Q268 PolarHBondContact O-N 2.99Å; V264-Q268 PolarHBondContact O-OE1 3.38Å; V264-Q268 VanDerWaalsContact O-OE1 3.14Å |
| 265 | K | 94.6 | Very high | 87.3 | Confident | 130 Ų | 130 | 96.7 Ų | 96.7 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.7 | -37.3 | 173.5 | -75.4 | 166.1 | 179.2 | 160.8 | 0 | 111.2 | E261 K262 Q268 R269 | E261-K265 WeakPolarHBondContact O-CB 3.2Å; E261-K265 WeakPolarHBondContact O-CG 3.35Å; E261-K265 PolarHBondContact O-N 3.09Å; K262-K265 PolarHBondContact O-N 2.9Å; K265-Q268 PolarHBondContact O-N 3.44Å; K265-R269 WeakPolarHBondContact O-CG 3.47Å; K265-R269 PolarHBondContact O-N 2.99Å; K265-R269 VanDerWaalsContact O-N 3.08Å |
| 266 | D | 95.1 | Very high | 89.3 | Confident | 72 Ų | 72 | 94.7 Ų | 94.7 | 39% | 0.385 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.4 | -43.1 | 175.8 | -153.3 | 45 | 0 | 0 | 0 | 112.8 | K262 S263 V264 Q268 R269 C270 | K262-D266 PolarHBondContact O-N 3.44Å; S263-D266 PolarHBondContact O-N 3.01Å; V264-D266 PolarHBondContact O-N 2.9Å; D266-Q268 VanDerWaalsContact C-N 3.25Å; D266-Q268 PolarHBondContact O-N 3.02Å; D266-R269 CarbonylContact O-C 3.47Å; D266-R269 WeakPolarHBondContact O-CA 3.36Å; D266-R269 WeakPolarHBondContact O-CB 3.18Å; D266-R269 PolarHBondContact O-N 3.07Å; D266-R269 IonicContact OD1-CZ 3.43Å; D266-R269 VanDerWaalsContact OD1-CZ 3.27Å; D266-R269 IonicContact OD1-NE 3.98Å; D266-R269 PolarHBondContact OD1-NE 3.39Å; D266-R269 IonicContact OD1-NH2 2.83Å; D266-R269 PolarHBondContact OD1-NH2 3.41Å; D266-C270 PolarHBondContact O-N 2.72Å; D266-C270 PolarHBondContact O-SG 3.28Å; D266-C270 VanDerWaalsContact O-SG 3.38Å |
| 267 | L | 96.5 | Very high | 91.1 | Very high | 114 Ų | 114 | 94.8 Ų | 94.8 | 60% | 0.597 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -56.9 | -39.3 | 172.7 | 179.9 | 60.9 | 0 | 0 | 0 | 111.8 | S263 V264 C270 T271 | S263-L267 WeakPolarHBondContact O-CB 3.45Å; S263-L267 PolarHBondContact O-N 2.95Å; V264-L267 PolarHBondContact O-N 3.48Å; L267-C270 CarbonylContact O-C 3.58Å; L267-C270 WeakPolarHBondContact O-CB 3.47Å; L267-C270 PolarHBondContact O-N 2.75Å; L267-T271 PolarHBondContact O-N 2.93Å; L267-T271 PolarHBondContact O-OG1 3.42Å |
| 268 | Q | 96.4 | Very high | 92.9 | Very high | 109 Ų | 109 | 100.6 Ų | 100.6 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.9 | -38.3 | 174.5 | -75.8 | 139.6 | 2.7 | 0 | 0 | 112.6 | V264 K265 D266 T271 V272 | V264-Q268 VanDerWaalsContact O-CD 3.28Å; V264-Q268 PolarHBondContact O-N 2.99Å; V264-Q268 PolarHBondContact O-OE1 3.38Å; V264-Q268 VanDerWaalsContact O-OE1 3.14Å; K265-Q268 PolarHBondContact O-N 3.44Å; D266-Q268 VanDerWaalsContact C-N 3.25Å; D266-Q268 PolarHBondContact O-N 3.02Å; Q268-T271 WeakPolarHBondContact O-CB 3.26Å; Q268-T271 PolarHBondContact O-N 2.91Å; Q268-V272 PolarHBondContact O-N 3.06Å; Q268-V272 VanDerWaalsContact O-N 3.08Å |
| 269 | R | 97.3 | Very high | 94.4 | Very high | 161 Ų | 161 | 98.4 Ų | 98.4 | 61% | 0.608 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.1 | -43.5 | 169.2 | -67.2 | -170.3 | -62.9 | -157.6 | 5.1 | 111.3 | K265 D266 T271 V272 S273 | K265-R269 WeakPolarHBondContact O-CG 3.47Å; K265-R269 PolarHBondContact O-N 2.99Å; K265-R269 VanDerWaalsContact O-N 3.08Å; D266-R269 CarbonylContact O-C 3.47Å; D266-R269 WeakPolarHBondContact O-CA 3.36Å; D266-R269 WeakPolarHBondContact O-CB 3.18Å; D266-R269 PolarHBondContact O-N 3.07Å; D266-R269 IonicContact OD1-CZ 3.43Å; D266-R269 VanDerWaalsContact OD1-CZ 3.27Å; D266-R269 IonicContact OD1-NE 3.98Å; D266-R269 PolarHBondContact OD1-NE 3.39Å; D266-R269 IonicContact OD1-NH2 2.83Å; D266-R269 PolarHBondContact OD1-NH2 3.41Å; R269-T271 VanDerWaalsContact C-N 3.34Å; R269-T271 PolarHBondContact O-N 3.4Å; R269-V272 PolarHBondContact O-N 3.31Å; R269-S273 WeakPolarHBondContact O-CB 3.44Å; R269-S273 PolarHBondContact O-N 3.33Å; R269-S273 PolarHBondContact O-OG 2.91Å |
| 270 | C | 97.5 | Very high | 95.6 | Very high | 58 Ų | 58 | 96.1 Ų | 96.1 | 39% | 0.392 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 173.3 | -65.4 | 0 | 0 | 0 | 0 | 112 | D266 L267 V272 S273 L274 | D266-C270 PolarHBondContact O-N 2.72Å; D266-C270 PolarHBondContact O-SG 3.28Å; D266-C270 VanDerWaalsContact O-SG 3.38Å; L267-C270 CarbonylContact O-C 3.58Å; L267-C270 WeakPolarHBondContact O-CB 3.47Å; L267-C270 PolarHBondContact O-N 2.75Å; C270-V272 PolarHBondContact O-N 3.18Å; C270-S273 PolarHBondContact O-N 3.2Å; C270-L274 WeakPolarHBondContact O-CB 3.45Å; C270-L274 VanDerWaalsContact O-CG 3.22Å; C270-L274 WeakPolarHBondContact O-CG 3.45Å; C270-L274 PolarHBondContact O-N 3.36Å |
| 271 | T | 97.7 | Very high | 96.1 | Very high | 76 Ų | 76 | 98.6 Ų | 98.6 | 47% | 0.466 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 177 | -54.6 | 0 | 0 | 0 | 0 | 112.3 | L267 Q268 R269 T275 | L267-T271 PolarHBondContact O-N 2.93Å; L267-T271 PolarHBondContact O-OG1 3.42Å; Q268-T271 WeakPolarHBondContact O-CB 3.26Å; Q268-T271 PolarHBondContact O-N 2.91Å; R269-T271 VanDerWaalsContact C-N 3.34Å; R269-T271 PolarHBondContact O-N 3.4Å; T271-T275 PolarHBondContact O-N 3.37Å; T271-T275 VanDerWaalsContact O-N 3.09Å; T271-T275 PolarHBondContact O-OG1 3.07Å |
| 272 | V | 98.1 | Very high | 96.6 | Very high | 105 Ų | 105 | 101.4 Ų | 101.4 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.7 | -46.2 | 174.9 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | Q268 R269 C270 L274 T275 R276 | Q268-V272 PolarHBondContact O-N 3.06Å; Q268-V272 VanDerWaalsContact O-N 3.08Å; R269-V272 PolarHBondContact O-N 3.31Å; C270-V272 PolarHBondContact O-N 3.18Å; V272-L274 PolarHBondContact O-N 3.11Å; V272-T275 WeakPolarHBondContact O-CB 3.08Å; V272-T275 PolarHBondContact O-N 2.92Å; V272-T275 VanDerWaalsContact O-N 3.11Å; V272-R276 PolarHBondContact O-N 2.9Å |
| 273 | S | 98.1 | Very high | 97 | Very high | 54 Ų | 54 | 99.4 Ų | 99.4 | 38% | 0.378 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 177.5 | -67 | 0 | 0 | 0 | 0 | 112.8 | R269 C270 T275 R276 Y277 | R269-S273 WeakPolarHBondContact O-CB 3.44Å; R269-S273 PolarHBondContact O-N 3.33Å; R269-S273 PolarHBondContact O-OG 2.91Å; C270-S273 PolarHBondContact O-N 3.2Å; S273-T275 VanDerWaalsContact C-N 3.28Å; S273-T275 PolarHBondContact O-N 2.94Å; S273-R276 WeakPolarHBondContact O-CB 3.24Å; S273-R276 PolarHBondContact O-N 3.33Å; S273-Y277 WeakPolarHBondContact O-CD2 3.44Å; S273-Y277 PolarHBondContact O-N 3.3Å |
| 274 | L | 97.7 | Very high | 97.3 | Very high | 84 Ų | 84 | 101.5 Ų | 101.5 | 44% | 0.44 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.1 | -37.1 | 173.6 | -74.2 | 168.1 | 0 | 0 | 0 | 111.8 | C270 V272 Y277 R278 | C270-L274 WeakPolarHBondContact O-CB 3.45Å; C270-L274 VanDerWaalsContact O-CG 3.22Å; C270-L274 WeakPolarHBondContact O-CG 3.45Å; C270-L274 PolarHBondContact O-N 3.36Å; V272-L274 PolarHBondContact O-N 3.11Å; L274-Y277 PolarHBondContact O-N 3.31Å; L274-R278 VanDerWaalsContact O-CG 3.27Å; L274-R278 WeakPolarHBondContact O-CG 3.45Å; L274-R278 PolarHBondContact O-N 2.81Å |
| 275 | T | 98.2 | Very high | 97.5 | Very high | 70 Ų | 70 | 104 Ų | 104 | 43% | 0.429 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 174.8 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | T271 V272 S273 R278 V279 | T271-T275 PolarHBondContact O-N 3.37Å; T271-T275 VanDerWaalsContact O-N 3.09Å; T271-T275 PolarHBondContact O-OG1 3.07Å; V272-T275 WeakPolarHBondContact O-CB 3.08Å; V272-T275 PolarHBondContact O-N 2.92Å; V272-T275 VanDerWaalsContact O-N 3.11Å; S273-T275 VanDerWaalsContact C-N 3.28Å; S273-T275 PolarHBondContact O-N 2.94Å; T275-R278 PolarHBondContact O-N 3.26Å; T275-V279 PolarHBondContact O-N 3.39Å |
| 276 | R | 98.4 | Very high | 97.7 | Very high | 149 Ų | 149 | 102 Ų | 102 | 56% | 0.562 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.9 | -44.7 | 171.6 | -179.6 | 176.5 | 175 | -86.6 | -7.3 | 112.5 | V272 S273 R278 V279 M280 | V272-R276 PolarHBondContact O-N 2.9Å; S273-R276 WeakPolarHBondContact O-CB 3.24Å; S273-R276 PolarHBondContact O-N 3.33Å; R276-R278 VanDerWaalsContact C-N 3.33Å; R276-R278 PolarHBondContact O-N 2.85Å; R276-V279 WeakPolarHBondContact O-CB 3.44Å; R276-V279 PolarHBondContact O-N 2.99Å; R276-V279 VanDerWaalsContact O-N 3.1Å; R276-M280 HydrophobicContact CG-SD 4.36Å; R276-M280 PolarHBondContact NH1-SD 3.28Å; R276-M280 PolarHBondContact O-N 3.33Å |
| 277 | Y | 98.2 | Very high | 97.8 | Very high | 125 Ų | 125 | 100.3 Ų | 100.3 | 49% | 0.49 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.8 | -35.2 | 179 | -66.5 | -52.8 | 0 | 0 | 0 | 112.6 | S273 L274 V279 M280 I281 | S273-Y277 WeakPolarHBondContact O-CD2 3.44Å; S273-Y277 PolarHBondContact O-N 3.3Å; L274-Y277 PolarHBondContact O-N 3.31Å; Y277-V279 VanDerWaalsContact C-N 3.25Å; Y277-V279 PolarHBondContact O-N 3.39Å; Y277-M280 HydrophobicContact CD1-SD 4.02Å; Y277-M280 HydrophobicContact CE1-SD 4.4Å; Y277-M280 PolarHBondContact O-N 3.1Å; Y277-I281 VanDerWaalsContact O-CG1 3.28Å; Y277-I281 WeakPolarHBondContact O-CG1 3.48Å; Y277-I281 PolarHBondContact O-N 3.03Å |
| 278 | R | 98.1 | Very high | 97.9 | Very high | 167 Ų | 167 | 97.1 Ų | 97.1 | 63% | 0.63 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.2 | -33.4 | 171.5 | -73.7 | 165.4 | 179.6 | 163.8 | -3.4 | 112.9 | L274 T275 R276 K282 | L274-R278 VanDerWaalsContact O-CG 3.27Å; L274-R278 WeakPolarHBondContact O-CG 3.45Å; L274-R278 PolarHBondContact O-N 2.81Å; T275-R278 PolarHBondContact O-N 3.26Å; R276-R278 VanDerWaalsContact C-N 3.33Å; R276-R278 PolarHBondContact O-N 2.85Å; R278-K282 WeakPolarHBondContact O-CG 3.37Å |
| 279 | V | 98.3 | Very high | 98 | Very high | 72 Ų | 72 | 95.1 Ų | 95.1 | 44% | 0.436 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -73.8 | -50.5 | 174.6 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | T275 R276 Y277 I281 K282 E283 | T275-V279 PolarHBondContact O-N 3.39Å; R276-V279 WeakPolarHBondContact O-CB 3.44Å; R276-V279 PolarHBondContact O-N 2.99Å; R276-V279 VanDerWaalsContact O-N 3.1Å; Y277-V279 VanDerWaalsContact C-N 3.25Å; Y277-V279 PolarHBondContact O-N 3.39Å; V279-I281 VanDerWaalsContact C-N 3.26Å; V279-I281 PolarHBondContact O-N 3.45Å; V279-K282 WeakPolarHBondContact O-CA 3.29Å; V279-K282 WeakPolarHBondContact O-CB 3.3Å; V279-K282 PolarHBondContact O-N 3.48Å; V279-E283 HydrophobicContact CG1-CG 4.18Å; V279-E283 WeakPolarHBondContact O-CG 3.37Å; V279-E283 PolarHBondContact O-N 3.3Å |
| 280 | M | 97.9 | Very high | 98 | Very high | 76 Ų | 76 | 94.3 Ų | 94.3 | 37% | 0.374 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -55.5 | -37.7 | 178.4 | -69.1 | 179.3 | 63.7 | 0 | 0 | 113.6 | R276 Y277 E283 E284 | R276-M280 HydrophobicContact CG-SD 4.36Å; R276-M280 PolarHBondContact NH1-SD 3.28Å; R276-M280 PolarHBondContact O-N 3.33Å; Y277-M280 HydrophobicContact CD1-SD 4.02Å; Y277-M280 HydrophobicContact CE1-SD 4.4Å; Y277-M280 PolarHBondContact O-N 3.1Å; M280-E283 PolarHBondContact O-N 3.41Å; M280-E284 PolarHBondContact O-N 2.9Å |
| 281 | I | 97.4 | Very high | 98 | Very high | 114 Ų | 114 | 97 Ų | 97 | 59% | 0.585 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 177.1 | -70.2 | 165.2 | 0 | 0 | 0 | 111 | Y277 V279 V285 | Y277-I281 VanDerWaalsContact O-CG1 3.28Å; Y277-I281 WeakPolarHBondContact O-CG1 3.48Å; Y277-I281 PolarHBondContact O-N 3.03Å; V279-I281 VanDerWaalsContact C-N 3.26Å; V279-I281 PolarHBondContact O-N 3.45Å; I281-V285 WeakPolarHBondContact O-CB 3.3Å; I281-V285 VanDerWaalsContact O-CG2 3.26Å; I281-V285 WeakPolarHBondContact O-CG2 3.38Å; I281-V285 PolarHBondContact O-N 3.4Å |
| 282 | K | 97.8 | Very high | 98 | Very high | 148 Ų | 148 | 97.2 Ų | 97.2 | 64% | 0.643 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.5 | -47.3 | 173.6 | -69.3 | 179.3 | 175.9 | -166.2 | 0 | 111.1 | R278 V279 E284 V285 D286 | R278-K282 WeakPolarHBondContact O-CG 3.37Å; V279-K282 WeakPolarHBondContact O-CA 3.29Å; V279-K282 WeakPolarHBondContact O-CB 3.3Å; V279-K282 PolarHBondContact O-N 3.48Å; K282-E284 VanDerWaalsContact C-N 3.34Å; K282-E284 PolarHBondContact O-N 3.15Å; K282-V285 PolarHBondContact O-N 2.95Å; K282-D286 WeakPolarHBondContact O-CB 3.5Å; K282-D286 PolarHBondContact O-N 2.9Å |
| 283 | E | 98.1 | Very high | 98 | Very high | 117 Ų | 117 | 99.4 Ų | 99.4 | 55% | 0.547 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.3 | -42.3 | 179.7 | -68.7 | 170.8 | 153.7 | 0 | 0 | 112.2 | V279 M280 S287 | V279-E283 HydrophobicContact CG1-CG 4.18Å; V279-E283 WeakPolarHBondContact O-CG 3.37Å; V279-E283 PolarHBondContact O-N 3.3Å; M280-E283 PolarHBondContact O-N 3.41Å; E283-S287 WeakPolarHBondContact O-CB 3.44Å; E283-S287 PolarHBondContact O-N 3.34Å |
| 284 | E | 97.5 | Very high | 98 | Very high | 99 Ų | 99 | 99.4 Ų | 99.4 | 46% | 0.463 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -76.7 | -28.8 | 178.4 | -166.2 | 56.5 | -125.3 | 0 | 0 | 113.2 | M280 K282 S287 S288 K291 | M280-E284 PolarHBondContact O-N 2.9Å; K282-E284 VanDerWaalsContact C-N 3.34Å; K282-E284 PolarHBondContact O-N 3.15Å; E284-S287 WeakPolarHBondContact O-CB 3.44Å; E284-S287 PolarHBondContact OE1-OG 3.48Å; E284-S288 VanDerWaalsContact O-CB 3.3Å; E284-S288 WeakPolarHBondContact O-CB 3.5Å; E284-S288 PolarHBondContact O-N 3Å; E284-S288 PolarHBondContact O-OG 3.1Å; E284-K291 IonicContact OE1-NZ 3.96Å; E284-K291 PolarHBondContact OE1-NZ 3.06Å |
| 285 | V | 97.8 | Very high | 98 | Very high | 83 Ų | 83 | 97.9 Ų | 97.9 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.2 | -47 | 169.6 | 168 | 0 | 0 | 0 | 0 | 110.5 | I281 K282 S287 S288 V289 | I281-V285 WeakPolarHBondContact O-CB 3.3Å; I281-V285 VanDerWaalsContact O-CG2 3.26Å; I281-V285 WeakPolarHBondContact O-CG2 3.38Å; I281-V285 PolarHBondContact O-N 3.4Å; K282-V285 PolarHBondContact O-N 2.95Å; V285-S287 VanDerWaalsContact C-N 3.27Å; V285-S287 PolarHBondContact O-N 3.26Å; V285-S288 WeakPolarHBondContact O-CB 3.3Å; V285-S288 PolarHBondContact O-N 3.08Å; V285-S288 VanDerWaalsContact O-N 3.11Å; V285-V289 WeakPolarHBondContact O-CG2 3.31Å; V285-V289 PolarHBondContact O-N 3.39Å |
| 286 | D | 98.4 | Very high | 98 | Very high | 89 Ų | 89 | 99.3 Ų | 99.3 | 48% | 0.476 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.8 | -34.7 | 175.2 | -71.9 | -27.1 | 0 | 0 | 0 | 112.1 | K282 K290 | K282-D286 WeakPolarHBondContact O-CB 3.5Å; K282-D286 PolarHBondContact O-N 2.9Å; D286-K290 WeakPolarHBondContact O-CD 3.4Å; D286-K290 WeakPolarHBondContact O-CE 3.24Å; D286-K290 WeakPolarHBondContact O-CG 3.43Å; D286-K290 PolarHBondContact O-N 2.76Å |
| 287 | S | 98.3 | Very high | 98 | Very high | 37 Ų | 37 | 94.6 Ų | 94.6 | 26% | 0.259 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 171.2 | -175 | 0 | 0 | 0 | 0 | 111 | E283 E284 V285 K290 K291 | E283-S287 WeakPolarHBondContact O-CB 3.44Å; E283-S287 PolarHBondContact O-N 3.34Å; E284-S287 WeakPolarHBondContact O-CB 3.44Å; E284-S287 PolarHBondContact OE1-OG 3.48Å; V285-S287 VanDerWaalsContact C-N 3.27Å; V285-S287 PolarHBondContact O-N 3.26Å; S287-K290 WeakPolarHBondContact O-CB 3.36Å; S287-K290 PolarHBondContact O-N 3.11Å; S287-K291 VanDerWaalsContact O-CG 3.31Å; S287-K291 WeakPolarHBondContact O-CG 3.49Å; S287-K291 PolarHBondContact O-N 3.37Å; S287-K291 VanDerWaalsContact OG-CE 3.24Å; S287-K291 WeakPolarHBondContact OG-CE 3.26Å; S287-K291 PolarHBondContact OG-NZ 3.19Å |
| 288 | S | 98.1 | Very high | 97.9 | Very high | 47 Ų | 47 | 95.5 Ų | 95.5 | 33% | 0.329 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 178.1 | -61.2 | 0 | 0 | 0 | 0 | 112.7 | E284 V285 K290 K291 I292 | E284-S288 VanDerWaalsContact O-CB 3.3Å; E284-S288 WeakPolarHBondContact O-CB 3.5Å; E284-S288 PolarHBondContact O-N 3Å; E284-S288 PolarHBondContact O-OG 3.1Å; V285-S288 WeakPolarHBondContact O-CB 3.3Å; V285-S288 PolarHBondContact O-N 3.08Å; V285-S288 VanDerWaalsContact O-N 3.11Å; S288-K290 VanDerWaalsContact C-N 3.28Å; S288-K290 PolarHBondContact O-N 2.84Å; S288-K291 PolarHBondContact O-N 2.87Å; S288-I292 VanDerWaalsContact O-CG1 3.3Å; S288-I292 WeakPolarHBondContact O-CG1 3.18Å; S288-I292 PolarHBondContact O-N 2.91Å |
| 289 | V | 98.1 | Very high | 97.9 | Very high | 66 Ų | 66 | 90.1 Ų | 90.1 | 40% | 0.4 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.1 | -37.2 | 173.4 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | V285 K293 | V285-V289 WeakPolarHBondContact O-CG2 3.31Å; V285-V289 PolarHBondContact O-N 3.39Å; V289-K293 HydrophobicContact CG1-CD 4.37Å; V289-K293 WeakPolarHBondContact O-CB 3.45Å; V289-K293 WeakPolarHBondContact O-CG 3.46Å; V289-K293 PolarHBondContact O-N 3.43Å; V289-K293 VanDerWaalsContact O-N 3.1Å |
| 290 | K | 98.4 | Very high | 97.8 | Very high | 144 Ų | 144 | 92.1 Ų | 92.1 | 63% | 0.626 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -68.9 | -41.6 | 174.5 | -68.4 | 158.6 | -166.5 | 161.4 | 0 | 111.9 | D286 S287 S288 K293 A294 | D286-K290 WeakPolarHBondContact O-CD 3.4Å; D286-K290 WeakPolarHBondContact O-CE 3.24Å; D286-K290 WeakPolarHBondContact O-CG 3.43Å; D286-K290 PolarHBondContact O-N 2.76Å; S287-K290 WeakPolarHBondContact O-CB 3.36Å; S287-K290 PolarHBondContact O-N 3.11Å; S288-K290 VanDerWaalsContact C-N 3.28Å; S288-K290 PolarHBondContact O-N 2.84Å; K290-K293 PolarHBondContact O-N 2.96Å; K290-A294 WeakPolarHBondContact O-CB 3.28Å; K290-A294 PolarHBondContact O-N 3.36Å |
| 291 | K | 97.6 | Very high | 97.8 | Very high | 115 Ų | 115 | 92.7 Ų | 92.7 | 50% | 0.5 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.7 | -47 | 175.5 | -67.8 | 164.7 | -169.7 | 168.2 | 0 | 111.5 | E284 S287 S288 A294 A295 | E284-K291 IonicContact OE1-NZ 3.96Å; E284-K291 PolarHBondContact OE1-NZ 3.06Å; S287-K291 VanDerWaalsContact O-CG 3.31Å; S287-K291 WeakPolarHBondContact O-CG 3.49Å; S287-K291 PolarHBondContact O-N 3.37Å; S287-K291 VanDerWaalsContact OG-CE 3.24Å; S287-K291 WeakPolarHBondContact OG-CE 3.26Å; S287-K291 PolarHBondContact OG-NZ 3.19Å; S288-K291 PolarHBondContact O-N 2.87Å; K291-A294 PolarHBondContact O-N 3.21Å; K291-A295 PolarHBondContact O-N 2.64Å |
| 292 | I | 98 | Very high | 97.8 | Very high | 80 Ų | 80 | 91 Ų | 91 | 41% | 0.41 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.1 | -50.4 | 176.6 | -68.1 | 164.1 | 0 | 0 | 0 | 110.6 | S288 A294 A295 F296 | S288-I292 VanDerWaalsContact O-CG1 3.3Å; S288-I292 WeakPolarHBondContact O-CG1 3.18Å; S288-I292 PolarHBondContact O-N 2.91Å; I292-A294 VanDerWaalsContact C-N 3.28Å; I292-A294 PolarHBondContact O-N 3.37Å; I292-A295 PolarHBondContact O-N 3.18Å; I292-F296 HydrophobicContact CG2-CD2 3.94Å; I292-F296 HydrophobicContact CG2-CE2 4.13Å; I292-F296 WeakPolarHBondContact O-CD2 3.49Å; I292-F296 PolarHBondContact O-N 3.21Å; I292-F296 VanDerWaalsContact O-N 3.1Å |
| 293 | K | 98.1 | Very high | 97.7 | Very high | 151 Ų | 151 | 87.6 Ų | 87.6 | 66% | 0.657 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.2 | -33.6 | 178.7 | -73.9 | -178 | 177.9 | -171.5 | 0 | 113.2 | V289 K290 A297 | V289-K293 HydrophobicContact CG1-CD 4.37Å; V289-K293 WeakPolarHBondContact O-CB 3.45Å; V289-K293 WeakPolarHBondContact O-CG 3.46Å; V289-K293 PolarHBondContact O-N 3.43Å; V289-K293 VanDerWaalsContact O-N 3.1Å; K290-K293 PolarHBondContact O-N 2.96Å; K293-A297 WeakPolarHBondContact O-CB 3.23Å; K293-A297 PolarHBondContact O-N 2.65Å |
| 294 | A | 98.2 | Very high | 97.7 | Very high | 55 Ų | 55 | 85.3 Ų | 85.3 | 46% | 0.455 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.6 | -49.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K290 K291 I292 F296 A297 E298 | K290-A294 WeakPolarHBondContact O-CB 3.28Å; K290-A294 PolarHBondContact O-N 3.36Å; K291-A294 PolarHBondContact O-N 3.21Å; I292-A294 VanDerWaalsContact C-N 3.28Å; I292-A294 PolarHBondContact O-N 3.37Å; A294-F296 PolarHBondContact O-N 3.45Å; A294-A297 PolarHBondContact O-N 3.17Å; A294-A297 VanDerWaalsContact O-N 3.15Å; A294-E298 WeakPolarHBondContact O-CB 3.47Å; A294-E298 PolarHBondContact O-N 3.34Å |
| 295 | A | 97.6 | Very high | 97.8 | Very high | 52 Ų | 52 | 85.9 Ų | 85.9 | 43% | 0.43 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | K291 I292 E298 L299 | K291-A295 PolarHBondContact O-N 2.64Å; I292-A295 PolarHBondContact O-N 3.18Å; A295-E298 PolarHBondContact O-N 3.17Å; A295-L299 WeakPolarHBondContact O-CB 3.43Å; A295-L299 PolarHBondContact O-N 3.38Å |
| 296 | F | 97.4 | Very high | 97.8 | Very high | 99 Ų | 99 | 86.6 Ų | 86.6 | 43% | 0.434 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -71.6 | -29.8 | 176.2 | -81 | -76.6 | 0 | 0 | 0 | 113.4 | I292 A294 L299 H300 | I292-F296 HydrophobicContact CG2-CD2 3.94Å; I292-F296 HydrophobicContact CG2-CE2 4.13Å; I292-F296 WeakPolarHBondContact O-CD2 3.49Å; I292-F296 PolarHBondContact O-N 3.21Å; I292-F296 VanDerWaalsContact O-N 3.1Å; A294-F296 PolarHBondContact O-N 3.45Å; F296-L299 HydrophobicContact CD1-CD2 4.33Å; F296-L299 HydrophobicContact CE1-CD2 4.45Å; F296-H300 VanDerWaalsContact O-CB 3.3Å; F296-H300 WeakPolarHBondContact O-CB 3.45Å; F296-H300 PolarHBondContact O-N 3.45Å |
| 297 | A | 98.1 | Very high | 97.7 | Very high | 50 Ų | 50 | 87.9 Ų | 87.9 | 41% | 0.413 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70.2 | -38 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | K293 A294 H300 N301 | K293-A297 WeakPolarHBondContact O-CB 3.23Å; K293-A297 PolarHBondContact O-N 2.65Å; A294-A297 PolarHBondContact O-N 3.17Å; A294-A297 VanDerWaalsContact O-N 3.15Å; A297-H300 PolarHBondContact O-N 2.99Å; A297-N301 PolarHBondContact O-N 2.98Å; A297-N301 PolarHBondContact O-ND2 3.19Å; A297-N301 PolarHBondContact O-OD1 2.96Å |
| 298 | E | 97.3 | Very high | 97.7 | Very high | 145 Ų | 145 | 90.6 Ų | 90.6 | 68% | 0.678 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.1 | -44.1 | 175 | -172.4 | 172.2 | -178.3 | 0 | 0 | 111.7 | A294 A295 H300 N301 C302 | A294-E298 WeakPolarHBondContact O-CB 3.47Å; A294-E298 PolarHBondContact O-N 3.34Å; A295-E298 PolarHBondContact O-N 3.17Å; E298-H300 PolarHBondContact O-N 2.94Å; E298-N301 PolarHBondContact O-N 2.85Å; E298-C302 WeakPolarHBondContact O-CB 3.21Å; E298-C302 PolarHBondContact O-N 2.88Å |
| 299 | L | 96.7 | Very high | 97.7 | Very high | 54 Ų | 54 | 90.9 Ų | 90.9 | 28% | 0.283 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 173.3 | 178.3 | 60.6 | 0 | 0 | 0 | 112.2 | A295 F296 C302 I303 I387 | A295-L299 WeakPolarHBondContact O-CB 3.43Å; A295-L299 PolarHBondContact O-N 3.38Å; F296-L299 HydrophobicContact CD1-CD2 4.33Å; F296-L299 HydrophobicContact CE1-CD2 4.45Å; L299-C302 PolarHBondContact O-N 3.43Å; L299-I303 HydrophobicContact CD1-CD1 4.32Å; L299-I303 HydrophobicContact CG-CD1 4.26Å; L299-I303 WeakPolarHBondContact O-CG1 3.22Å; L299-I303 PolarHBondContact O-N 3.38Å; L299-I387 HydrophobicContact CD2-CG1 4.48Å |
| 300 | H | 96.6 | Very high | 97.7 | Very high | 113 Ų | 113 | 89.8 Ų | 89.8 | 52% | 0.523 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 176.6 | 179.8 | -87.6 | 0 | 0 | 0 | 112.1 | F296 A297 E298 I303 I304 | F296-H300 VanDerWaalsContact O-CB 3.3Å; F296-H300 WeakPolarHBondContact O-CB 3.45Å; F296-H300 PolarHBondContact O-N 3.45Å; A297-H300 PolarHBondContact O-N 2.99Å; E298-H300 PolarHBondContact O-N 2.94Å; H300-I303 PolarHBondContact O-N 3.38Å; H300-I304 WeakPolarHBondContact CE1-CD1 3.21Å; H300-I304 PolarHBondContact O-N 3.42Å |
| 301 | N | 98.1 | Very high | 97.7 | Very high | 89 Ų | 89 | 87.9 Ų | 87.9 | 48% | 0.476 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 175 | -66.1 | -9.9 | 0 | 0 | 0 | 111.4 | A297 E298 I303 I304 D305 | A297-N301 PolarHBondContact O-N 2.98Å; A297-N301 PolarHBondContact O-ND2 3.19Å; A297-N301 PolarHBondContact O-OD1 2.96Å; E298-N301 PolarHBondContact O-N 2.85Å; N301-I303 VanDerWaalsContact C-N 3.28Å; N301-I303 PolarHBondContact O-N 3.34Å; N301-I304 PolarHBondContact O-N 2.97Å; N301-I304 VanDerWaalsContact O-N 3.11Å; N301-D305 WeakPolarHBondContact O-CB 3.32Å; N301-D305 VanDerWaalsContact O-CG 3.32Å; N301-D305 PolarHBondContact O-N 3.16Å |
| 302 | C | 97.6 | Very high | 97.7 | Very high | 78 Ų | 78 | 85.4 Ų | 85.4 | 53% | 0.527 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.1 | -36.9 | 177.9 | -177 | 0 | 0 | 0 | 0 | 112.9 | E298 L299 K306 | E298-C302 WeakPolarHBondContact O-CB 3.21Å; E298-C302 PolarHBondContact O-N 2.88Å; L299-C302 PolarHBondContact O-N 3.43Å; C302-K306 WeakPolarHBondContact O-CB 3.27Å; C302-K306 PolarHBondContact O-N 2.85Å; C302-K306 VanDerWaalsContact O-N 3.07Å |
| 303 | I | 96.5 | Very high | 97.6 | Very high | 77 Ų | 77 | 86.6 Ų | 86.6 | 40% | 0.395 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.8 | -46.6 | 174.2 | -69 | 165.1 | 0 | 0 | 0 | 110.7 | L299 H300 N301 K306 E307 I387 | L299-I303 HydrophobicContact CD1-CD1 4.32Å; L299-I303 HydrophobicContact CG-CD1 4.26Å; L299-I303 WeakPolarHBondContact O-CG1 3.22Å; L299-I303 PolarHBondContact O-N 3.38Å; H300-I303 PolarHBondContact O-N 3.38Å; N301-I303 VanDerWaalsContact C-N 3.28Å; N301-I303 PolarHBondContact O-N 3.34Å; I303-K306 PolarHBondContact O-N 2.99Å; I303-E307 PolarHBondContact O-N 3.41Å; I303-I387 HydrophobicContact CD1-CD1 4.43Å |
| 304 | I | 98 | Very high | 97.6 | Very high | 69 Ų | 69 | 82.4 Ų | 82.4 | 35% | 0.354 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 177.4 | -69.1 | 172.7 | 0 | 0 | 0 | 111.4 | H300 N301 K306 E307 V308 | H300-I304 WeakPolarHBondContact CE1-CD1 3.21Å; H300-I304 PolarHBondContact O-N 3.42Å; N301-I304 PolarHBondContact O-N 2.97Å; N301-I304 VanDerWaalsContact O-N 3.11Å; I304-K306 PolarHBondContact O-N 3.27Å; I304-E307 WeakPolarHBondContact O-CB 3.47Å; I304-E307 PolarHBondContact O-N 3.1Å; I304-E307 VanDerWaalsContact O-N 3.15Å; I304-V308 HydrophobicContact CG2-CG2 4.41Å; I304-V308 WeakPolarHBondContact O-CG2 3.03Å; I304-V308 PolarHBondContact O-N 3.39Å |
| 305 | D | 98.3 | Very high | 97.5 | Very high | 111 Ų | 111 | 84 Ų | 84 | 59% | 0.594 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -60 | -36.8 | 178.4 | -69.9 | -29.3 | 0 | 0 | 0 | 110.9 | N301 S309 | N301-D305 WeakPolarHBondContact O-CB 3.32Å; N301-D305 VanDerWaalsContact O-CG 3.32Å; N301-D305 PolarHBondContact O-N 3.16Å; D305-S309 VanDerWaalsContact O-CB 3.26Å; D305-S309 WeakPolarHBondContact O-CB 3.45Å; D305-S309 PolarHBondContact O-N 3.38Å |
| 306 | K | 97.6 | Very high | 97.5 | Very high | 98 Ų | 98 | 86.6 Ų | 86.6 | 43% | 0.426 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -75.2 | -34.9 | 175.4 | -173 | 53 | -171.5 | 154.2 | 0 | 113 | C302 I303 I304 S309 L310 E313 | C302-K306 WeakPolarHBondContact O-CB 3.27Å; C302-K306 PolarHBondContact O-N 2.85Å; C302-K306 VanDerWaalsContact O-N 3.07Å; I303-K306 PolarHBondContact O-N 2.99Å; I304-K306 PolarHBondContact O-N 3.27Å; K306-S309 PolarHBondContact NZ-OG 2.95Å; K306-S309 PolarHBondContact O-N 3.36Å; K306-L310 HydrophobicContact CD-CD1 4.31Å; K306-L310 HydrophobicContact CD-CG 4.16Å; K306-L310 HydrophobicContact CG-CD1 4.04Å; K306-L310 HydrophobicContact CG-CG 4.42Å; K306-L310 WeakPolarHBondContact O-CB 3.38Å; K306-L310 WeakPolarHBondContact O-CD1 3.47Å; K306-L310 VanDerWaalsContact O-CG 3.24Å; K306-L310 WeakPolarHBondContact O-CG 3.5Å; K306-L310 PolarHBondContact O-N 3.49Å; K306-E313 IonicContact NZ-OE2 3.57Å |
| 307 | E | 97.2 | Very high | 97.4 | Very high | 116 Ų | 116 | 84.4 Ų | 84.4 | 54% | 0.542 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.5 | -52.4 | 171.7 | -179.1 | 179.8 | -173.4 | 0 | 0 | 111 | I303 I304 S309 L310 M311 | I303-E307 PolarHBondContact O-N 3.41Å; I304-E307 WeakPolarHBondContact O-CB 3.47Å; I304-E307 PolarHBondContact O-N 3.1Å; I304-E307 VanDerWaalsContact O-N 3.15Å; E307-S309 VanDerWaalsContact C-N 3.32Å; E307-S309 PolarHBondContact O-N 3.37Å; E307-L310 PolarHBondContact O-N 3.36Å; E307-L310 VanDerWaalsContact O-N 3.09Å; E307-M311 WeakPolarHBondContact O-CG 3.42Å; E307-M311 PolarHBondContact O-N 3.21Å |
| 308 | V | 98.6 | Very high | 97.3 | Very high | 93 Ų | 93 | 88 Ų | 88 | 56% | 0.564 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -59.6 | -42.2 | 176.6 | 174 | 0 | 0 | 0 | 0 | 111.3 | I304 L310 M311 A312 | I304-V308 HydrophobicContact CG2-CG2 4.41Å; I304-V308 WeakPolarHBondContact O-CG2 3.03Å; I304-V308 PolarHBondContact O-N 3.39Å; V308-L310 VanDerWaalsContact C-N 3.34Å; V308-L310 PolarHBondContact O-N 2.83Å; V308-M311 PolarHBondContact O-N 2.92Å; V308-A312 PolarHBondContact O-N 3.34Å; V308-A312 VanDerWaalsContact O-N 3.07Å |
| 309 | S | 98.4 | Very high | 97.3 | Very high | 53 Ų | 53 | 87.9 Ų | 87.9 | 37% | 0.371 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 174.2 | 164.5 | 0 | 0 | 0 | 0 | 113 | D305 K306 E307 E313 | D305-S309 VanDerWaalsContact O-CB 3.26Å; D305-S309 WeakPolarHBondContact O-CB 3.45Å; D305-S309 PolarHBondContact O-N 3.38Å; K306-S309 PolarHBondContact NZ-OG 2.95Å; K306-S309 PolarHBondContact O-N 3.36Å; E307-S309 VanDerWaalsContact C-N 3.32Å; E307-S309 PolarHBondContact O-N 3.37Å; S309-E313 VanDerWaalsContact O-CB 3.3Å; S309-E313 WeakPolarHBondContact O-CB 3.4Å; S309-E313 PolarHBondContact O-N 2.93Å |
| 310 | L | 97.6 | Very high | 97.3 | Very high | 43 Ų | 43 | 89.5 Ų | 89.5 | 23% | 0.225 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -72.8 | -34.5 | 179.6 | -75.3 | 163.5 | 0 | 0 | 0 | 112.4 | K306 E307 V308 E313 M314 F376 | K306-L310 HydrophobicContact CD-CD1 4.31Å; K306-L310 HydrophobicContact CD-CG 4.16Å; K306-L310 HydrophobicContact CG-CD1 4.04Å; K306-L310 HydrophobicContact CG-CG 4.42Å; K306-L310 WeakPolarHBondContact O-CB 3.38Å; K306-L310 WeakPolarHBondContact O-CD1 3.47Å; K306-L310 VanDerWaalsContact O-CG 3.24Å; K306-L310 WeakPolarHBondContact O-CG 3.5Å; K306-L310 PolarHBondContact O-N 3.49Å; E307-L310 PolarHBondContact O-N 3.36Å; E307-L310 VanDerWaalsContact O-N 3.09Å; V308-L310 VanDerWaalsContact C-N 3.34Å; V308-L310 PolarHBondContact O-N 2.83Å; L310-E313 PolarHBondContact O-N 3.25Å; L310-M314 WeakPolarHBondContact O-CB 3.49Å; L310-M314 PolarHBondContact O-N 3.46Å; L310-F376 HydrophobicContact CD1-CE2 3.83Å; L310-F376 HydrophobicContact CD1-CZ 4.38Å; L310-F376 HydrophobicContact CD2-CE2 4.35Å |
| 311 | M | 97.6 | Very high | 97.3 | Very high | 104 Ų | 104 | 85.1 Ų | 85.1 | 51% | 0.512 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.4 | -46.5 | 173.4 | -66.7 | -61.5 | 98 | 0 | 0 | 111.2 | E307 V308 E313 M314 D315 | E307-M311 WeakPolarHBondContact O-CG 3.42Å; E307-M311 PolarHBondContact O-N 3.21Å; V308-M311 PolarHBondContact O-N 2.92Å; M311-E313 VanDerWaalsContact C-N 3.32Å; M311-E313 PolarHBondContact O-N 3.48Å; M311-M314 PolarHBondContact O-N 2.8Å; M311-D315 PolarHBondContact O-N 3.08Å |
| 312 | A | 98.1 | Very high | 97.2 | Very high | 63 Ų | 63 | 86.1 Ų | 86.1 | 52% | 0.521 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.9 | -36.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V308 K316 | V308-A312 PolarHBondContact O-N 3.34Å; V308-A312 VanDerWaalsContact O-N 3.07Å; A312-K316 WeakPolarHBondContact O-CB 3.47Å; A312-K316 PolarHBondContact O-N 3.4Å |
| 313 | E | 96.9 | Very high | 97.2 | Very high | 105 Ų | 105 | 89 Ų | 89 | 49% | 0.491 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66 | -39 | 174 | -173.4 | 167.1 | -155.6 | 0 | 0 | 111.8 | K306 S309 L310 M311 K316 V317 | K306-E313 IonicContact NZ-OE2 3.57Å; S309-E313 VanDerWaalsContact O-CB 3.3Å; S309-E313 WeakPolarHBondContact O-CB 3.4Å; S309-E313 PolarHBondContact O-N 2.93Å; L310-E313 PolarHBondContact O-N 3.25Å; M311-E313 VanDerWaalsContact C-N 3.32Å; M311-E313 PolarHBondContact O-N 3.48Å; E313-K316 PolarHBondContact O-N 3.09Å; E313-V317 WeakPolarHBondContact O-CG2 3.48Å; E313-V317 PolarHBondContact O-N 3.24Å |
| 314 | M | 97.1 | Very high | 97.2 | Very high | 64 Ų | 64 | 88.3 Ų | 88.3 | 32% | 0.315 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.5 | -43.4 | 176.1 | -171.1 | 61.5 | 61.1 | 0 | 0 | 112.8 | L310 M311 K316 V317 K318 A374 F376 | L310-M314 WeakPolarHBondContact O-CB 3.49Å; L310-M314 PolarHBondContact O-N 3.46Å; M311-M314 PolarHBondContact O-N 2.8Å; M314-K316 VanDerWaalsContact C-N 3.29Å; M314-K316 PolarHBondContact O-N 3.32Å; M314-V317 PolarHBondContact O-N 2.84Å; M314-K318 WeakPolarHBondContact O-CB 3.45Å; M314-K318 PolarHBondContact O-N 2.92Å; M314-A374 HydrophobicContact SD-CB 3.99Å; M314-F376 HydrophobicContact CE-CB 3.98Å |
| 315 | D | 96.5 | Very high | 97.2 | Very high | 89 Ų | 89 | 88.6 Ų | 88.6 | 48% | 0.476 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.4 | -36.6 | 174.8 | -92.6 | -42.2 | 0 | 0 | 0 | 111.5 | M311 K318 E319 | M311-D315 PolarHBondContact O-N 3.08Å; D315-K318 WeakPolarHBondContact O-CB 3.39Å; D315-K318 PolarHBondContact O-N 3.45Å; D315-K318 IonicContact OD1-NZ 3.06Å; D315-K318 PolarHBondContact OD1-NZ 2.93Å; D315-E319 PolarHBondContact O-N 3.17Å |
| 316 | K | 96.8 | Very high | 97.1 | Very high | 106 Ų | 106 | 86.1 Ų | 86.1 | 46% | 0.461 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 172.7 | -174.2 | -178 | 177.8 | -90.9 | 0 | 112.4 | A312 E313 M314 K318 E319 E320 | A312-K316 WeakPolarHBondContact O-CB 3.47Å; A312-K316 PolarHBondContact O-N 3.4Å; E313-K316 PolarHBondContact O-N 3.09Å; M314-K316 VanDerWaalsContact C-N 3.29Å; M314-K316 PolarHBondContact O-N 3.32Å; K316-K318 PolarHBondContact O-N 3.1Å; K316-E319 PolarHBondContact O-N 3.11Å; K316-E319 VanDerWaalsContact O-N 3.15Å; K316-E320 VanDerWaalsContact CE-OE1 3.32Å; K316-E320 WeakPolarHBondContact CE-OE1 3.46Å; K316-E320 HydrophobicContact CG-CG 4.47Å; K316-E320 IonicContact NZ-OE1 2.66Å; K316-E320 PolarHBondContact NZ-OE1 3.49Å; K316-E320 IonicContact NZ-OE2 3.27Å; K316-E320 PolarHBondContact NZ-OE2 2.79Å; K316-E320 WeakPolarHBondContact O-CG 3.3Å; K316-E320 PolarHBondContact O-N 3.47Å |
| 317 | V | 96.6 | Very high | 97.2 | Very high | 53 Ų | 53 | 84.1 Ų | 84.1 | 32% | 0.321 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.9 | -37.8 | 176.7 | 166.9 | 0 | 0 | 0 | 0 | 111.3 | E313 M314 A321 A374 | E313-V317 WeakPolarHBondContact O-CG2 3.48Å; E313-V317 PolarHBondContact O-N 3.24Å; M314-V317 PolarHBondContact O-N 2.84Å; V317-A321 VanDerWaalsContact O-CB 3.31Å; V317-A321 WeakPolarHBondContact O-CB 3.45Å; V317-A321 PolarHBondContact O-N 2.84Å; V317-A374 HydrophobicContact CG1-CB 4.16Å |
| 318 | K | 95.4 | Very high | 97.2 | Very high | 125 Ų | 125 | 80 Ų | 80 | 54% | 0.543 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 173.6 | 163.3 | -176.9 | 146.3 | -149.5 | 0 | 112.4 | M314 D315 K316 M322 | M314-K318 WeakPolarHBondContact O-CB 3.45Å; M314-K318 PolarHBondContact O-N 2.92Å; D315-K318 WeakPolarHBondContact O-CB 3.39Å; D315-K318 PolarHBondContact O-N 3.45Å; D315-K318 IonicContact OD1-NZ 3.06Å; D315-K318 PolarHBondContact OD1-NZ 2.93Å; K316-K318 PolarHBondContact O-N 3.1Å; K318-M322 WeakPolarHBondContact O-CB 3.21Å; K318-M322 VanDerWaalsContact O-CG 3.23Å; K318-M322 WeakPolarHBondContact O-CG 3.36Å; K318-M322 PolarHBondContact O-N 2.99Å |
| 319 | E | 96.7 | Very high | 97.2 | Very high | 142 Ų | 142 | 81.3 Ų | 81.3 | 66% | 0.664 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.8 | -49.6 | 175.5 | -174.5 | 171.2 | -151.3 | 0 | 0 | 111.5 | D315 K316 A321 M322 E323 | D315-E319 PolarHBondContact O-N 3.17Å; K316-E319 PolarHBondContact O-N 3.11Å; K316-E319 VanDerWaalsContact O-N 3.15Å; E319-A321 PolarHBondContact O-N 3.49Å; E319-M322 PolarHBondContact O-N 3.3Å; E319-E323 PolarHBondContact O-N 3.43Å |
| 320 | E | 96.4 | Very high | 97.2 | Very high | 88 Ų | 88 | 85 Ų | 85 | 41% | 0.411 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 178.2 | -70.3 | 179.2 | 152.1 | 0 | 0 | 111.7 | K316 E323 I324 | K316-E320 VanDerWaalsContact CE-OE1 3.32Å; K316-E320 WeakPolarHBondContact CE-OE1 3.46Å; K316-E320 HydrophobicContact CG-CG 4.47Å; K316-E320 IonicContact NZ-OE1 2.66Å; K316-E320 PolarHBondContact NZ-OE1 3.49Å; K316-E320 IonicContact NZ-OE2 3.27Å; K316-E320 PolarHBondContact NZ-OE2 2.79Å; K316-E320 WeakPolarHBondContact O-CG 3.3Å; K316-E320 PolarHBondContact O-N 3.47Å; E320-E323 PolarHBondContact O-N 3.4Å; E320-I324 WeakPolarHBondContact O-CD1 3.23Å; E320-I324 VanDerWaalsContact O-CG1 3.24Å; E320-I324 WeakPolarHBondContact O-CG1 3.4Å; E320-I324 PolarHBondContact O-N 3.33Å |
| 321 | A | 96.7 | Very high | 97.2 | Very high | 21 Ų | 21 | 86.4 Ų | 86.4 | 17% | 0.174 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V317 E319 I324 L325 L370 | V317-A321 VanDerWaalsContact O-CB 3.31Å; V317-A321 WeakPolarHBondContact O-CB 3.45Å; V317-A321 PolarHBondContact O-N 2.84Å; E319-A321 PolarHBondContact O-N 3.49Å; A321-I324 PolarHBondContact O-N 3.21Å; A321-L325 WeakPolarHBondContact O-CG 3.39Å; A321-L325 PolarHBondContact O-N 3.44Å; A321-L325 VanDerWaalsContact O-N 3.09Å; A321-L370 HydrophobicContact CB-CD1 4.04Å; A321-L370 HydrophobicContact CB-CG 4.23Å |
| 322 | M | 96.4 | Very high | 97.2 | Very high | 110 Ų | 110 | 83.1 Ų | 83.1 | 54% | 0.542 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.6 | -35.9 | 176.3 | -74.3 | -62.4 | -59.3 | 0 | 0 | 112.5 | K318 E319 T326 | K318-M322 WeakPolarHBondContact O-CB 3.21Å; K318-M322 VanDerWaalsContact O-CG 3.23Å; K318-M322 WeakPolarHBondContact O-CG 3.36Å; K318-M322 PolarHBondContact O-N 2.99Å; E319-M322 PolarHBondContact O-N 3.3Å; M322-T326 VanDerWaalsContact O-CB 3.29Å; M322-T326 WeakPolarHBondContact O-CB 3.16Å; M322-T326 PolarHBondContact O-N 3.43Å; M322-T326 PolarHBondContact O-OG1 3.04Å |
| 323 | E | 97.8 | Very high | 97.3 | Very high | 139 Ų | 139 | 85 Ų | 85 | 65% | 0.65 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.8 | -47 | 173.1 | -176.6 | 175.7 | -152.2 | 0 | 0 | 110.9 | E319 E320 L325 T326 A327 | E319-E323 PolarHBondContact O-N 3.43Å; E320-E323 PolarHBondContact O-N 3.4Å; E323-L325 PolarHBondContact O-N 3.3Å; E323-T326 PolarHBondContact O-N 2.95Å; E323-T326 VanDerWaalsContact O-N 3.16Å; E323-A327 WeakPolarHBondContact O-CB 3.49Å; E323-A327 PolarHBondContact O-N 3.15Å |
| 324 | I | 97.1 | Very high | 97.3 | Very high | 62 Ų | 62 | 84.6 Ų | 84.6 | 32% | 0.318 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.2 | -47.4 | 178.6 | -68.7 | 162.9 | 0 | 0 | 0 | 111 | E320 A321 T326 A327 R328 Y366 L370 | E320-I324 WeakPolarHBondContact O-CD1 3.23Å; E320-I324 VanDerWaalsContact O-CG1 3.24Å; E320-I324 WeakPolarHBondContact O-CG1 3.4Å; E320-I324 PolarHBondContact O-N 3.33Å; A321-I324 PolarHBondContact O-N 3.21Å; I324-T326 VanDerWaalsContact C-N 3.34Å; I324-T326 PolarHBondContact O-N 3.39Å; I324-A327 PolarHBondContact O-N 2.81Å; I324-R328 VanDerWaalsContact O-CB 3.23Å; I324-R328 WeakPolarHBondContact O-CB 3.34Å; I324-R328 PolarHBondContact O-N 3.43Å; I324-Y366 HydrophobicContact CG2-CE1 3.96Å; I324-L370 HydrophobicContact CB-CD2 4Å; I324-L370 HydrophobicContact CD1-CD1 4.27Å; I324-L370 HydrophobicContact CG2-CD2 3.58Å |
| 325 | L | 96.6 | Very high | 97.4 | Very high | 75 Ų | 75 | 82 Ų | 82 | 39% | 0.393 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 176 | -70.2 | 173.6 | 0 | 0 | 0 | 112 | A321 E323 R328 Q329 L370 | A321-L325 WeakPolarHBondContact O-CG 3.39Å; A321-L325 PolarHBondContact O-N 3.44Å; A321-L325 VanDerWaalsContact O-N 3.09Å; E323-L325 PolarHBondContact O-N 3.3Å; L325-R328 PolarHBondContact O-N 3.08Å; L325-Q329 PolarHBondContact O-N 3.16Å; L325-L370 HydrophobicContact CD2-CD2 4.11Å; L325-L370 HydrophobicContact CG-CD2 4Å |
| 326 | T | 98.1 | Very high | 97.5 | Very high | 60 Ų | 60 | 84.2 Ų | 84.2 | 37% | 0.368 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 177.7 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | M322 E323 I324 R328 Q329 K330 | M322-T326 VanDerWaalsContact O-CB 3.29Å; M322-T326 WeakPolarHBondContact O-CB 3.16Å; M322-T326 PolarHBondContact O-N 3.43Å; M322-T326 PolarHBondContact O-OG1 3.04Å; E323-T326 PolarHBondContact O-N 2.95Å; E323-T326 VanDerWaalsContact O-N 3.16Å; I324-T326 VanDerWaalsContact C-N 3.34Å; I324-T326 PolarHBondContact O-N 3.39Å; T326-R328 VanDerWaalsContact C-N 3.28Å; T326-R328 PolarHBondContact O-N 2.66Å; T326-Q329 PolarHBondContact O-N 3.19Å; T326-K330 WeakPolarHBondContact O-CG 3.5Å; T326-K330 PolarHBondContact O-N 2.75Å; T326-K330 VanDerWaalsContact O-N 3.1Å |
| 327 | A | 98.3 | Very high | 97.6 | Very high | 56 Ų | 56 | 85.6 Ų | 85.6 | 46% | 0.463 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.3 | -37.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E323 I324 K330 K331 | E323-A327 WeakPolarHBondContact O-CB 3.49Å; E323-A327 PolarHBondContact O-N 3.15Å; I324-A327 PolarHBondContact O-N 2.81Å; A327-K330 PolarHBondContact O-N 3.25Å; A327-K331 PolarHBondContact O-N 3.14Å |
| 328 | R | 97.6 | Very high | 97.7 | Very high | 29 Ų | 29 | 85.4 Ų | 85.4 | 11% | 0.109 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -71.7 | -36.7 | 178 | -171 | 161.8 | 170.6 | 70.1 | 3.3 | 113.2 | I324 L325 T326 K331 A332 F360 E363 D367 | I324-R328 VanDerWaalsContact O-CB 3.23Å; I324-R328 WeakPolarHBondContact O-CB 3.34Å; I324-R328 PolarHBondContact O-N 3.43Å; L325-R328 PolarHBondContact O-N 3.08Å; T326-R328 VanDerWaalsContact C-N 3.28Å; T326-R328 PolarHBondContact O-N 2.66Å; R328-K331 PolarHBondContact O-N 2.91Å; R328-A332 PolarHBondContact O-N 3.06Å; R328-F360 HydrophobicContact CG-CE2 3.81Å; R328-F360 HydrophobicContact CG-CZ 4.39Å; R328-F360 PolarHBondContact NH2-O 3.14Å; R328-F360 WeakPolarHBondContact O-CE2 3.35Å; R328-E363 IonicContact CZ-OE2 2.75Å; R328-E363 IonicContact NH1-OE2 2.64Å; R328-E363 PolarHBondContact NH1-OE2 3.41Å; R328-E363 VanDerWaalsContact NH2-CB 3.31Å; R328-D367 WeakPolarHBondContact CD-OD1 3.5Å; R328-D367 IonicContact CZ-OD1 3.71Å; R328-D367 IonicContact CZ-OD2 3.22Å; R328-D367 VanDerWaalsContact CZ-OD2 3.31Å; R328-D367 IonicContact NE-OD1 2.72Å; R328-D367 PolarHBondContact NE-OD1 3.4Å; R328-D367 IonicContact NE-OD2 2.94Å; R328-D367 PolarHBondContact NE-OD2 3.09Å; R328-D367 IonicContact NH2-OD1 2.61Å; R328-D367 IonicContact NH2-OD2 2.75Å; R328-D367 PolarHBondContact NH2-OD2 3.3Å |
| 329 | Q | 98.1 | Very high | 97.8 | Very high | 121 Ų | 121 | 82.5 Ų | 82.5 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.4 | -45.6 | 169.8 | -179.4 | 176.8 | -25.6 | 0 | 0 | 111.1 | L325 T326 K331 A332 E333 | L325-Q329 PolarHBondContact O-N 3.16Å; T326-Q329 PolarHBondContact O-N 3.19Å; Q329-K331 VanDerWaalsContact C-N 3.31Å; Q329-K331 PolarHBondContact O-N 3.1Å; Q329-A332 WeakPolarHBondContact O-CA 3.48Å; Q329-A332 VanDerWaalsContact O-CB 3.26Å; Q329-A332 WeakPolarHBondContact O-CB 3.02Å; Q329-A332 PolarHBondContact O-N 3.02Å; Q329-E333 HydrophobicContact CG-CG 4.49Å; Q329-E333 WeakPolarHBondContact CG-OE1 3.4Å; Q329-E333 PolarHBondContact NE2-OE1 3.41Å; Q329-E333 WeakPolarHBondContact O-CG 3.34Å; Q329-E333 PolarHBondContact O-N 3.39Å |
| 330 | K | 98.6 | Very high | 97.9 | Very high | 129 Ų | 129 | 80.9 Ų | 80.9 | 56% | 0.561 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -59.3 | -39.5 | 175.3 | -69.4 | 167.5 | -177.6 | 172.2 | 0 | 112.5 | T326 A327 A332 E333 E334 | T326-K330 WeakPolarHBondContact O-CG 3.5Å; T326-K330 PolarHBondContact O-N 2.75Å; T326-K330 VanDerWaalsContact O-N 3.1Å; A327-K330 PolarHBondContact O-N 3.25Å; K330-A332 VanDerWaalsContact C-N 3.32Å; K330-A332 PolarHBondContact O-N 3.1Å; K330-E333 PolarHBondContact O-N 2.94Å; K330-E334 PolarHBondContact O-N 2.82Å |
| 331 | K | 98.1 | Very high | 97.9 | Very high | 74 Ų | 74 | 79.5 Ų | 79.5 | 32% | 0.322 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.4 | -38.2 | 172.3 | -174.4 | 179.5 | 173.8 | -169.3 | 0 | 111.6 | A327 R328 Q329 L335 F360 E363 | A327-K331 PolarHBondContact O-N 3.14Å; R328-K331 PolarHBondContact O-N 2.91Å; Q329-K331 VanDerWaalsContact C-N 3.31Å; Q329-K331 PolarHBondContact O-N 3.1Å; K331-L335 HydrophobicContact CG-CD1 4.15Å; K331-L335 WeakPolarHBondContact O-CB 3.44Å; K331-L335 VanDerWaalsContact O-CG 3.23Å; K331-L335 WeakPolarHBondContact O-CG 3.32Å; K331-L335 PolarHBondContact O-N 2.99Å; K331-F360 HydrophobicContact CB-CD2 4.47Å; K331-F360 HydrophobicContact CB-CE2 4.36Å; K331-F360 HydrophobicContact CD-CD2 3.88Å; K331-F360 HydrophobicContact CD-CE2 4.44Å; K331-F360 HydrophobicContact CG-CD2 3.96Å; K331-F360 HydrophobicContact CG-CE2 4.34Å; K331-E363 IonicContact NZ-OE1 3.88Å; K331-E363 IonicContact NZ-OE2 2.65Å; K331-E363 PolarHBondContact NZ-OE2 2.91Å |
| 332 | A | 98.5 | Very high | 98 | Very high | 34 Ų | 34 | 79.6 Ų | 79.6 | 28% | 0.281 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | R328 Q329 K330 K336 F360 | R328-A332 PolarHBondContact O-N 3.06Å; Q329-A332 WeakPolarHBondContact O-CA 3.48Å; Q329-A332 VanDerWaalsContact O-CB 3.26Å; Q329-A332 WeakPolarHBondContact O-CB 3.02Å; Q329-A332 PolarHBondContact O-N 3.02Å; K330-A332 VanDerWaalsContact C-N 3.32Å; K330-A332 PolarHBondContact O-N 3.1Å; A332-K336 WeakPolarHBondContact O-CB 3.29Å; A332-K336 PolarHBondContact O-N 3.38Å; A332-F360 HydrophobicContact CB-CE1 4.06Å; A332-F360 HydrophobicContact CB-CE2 4.04Å; A332-F360 HydrophobicContact CB-CZ 3.48Å; A332-F360 VanDerWaalsContact CB-CZ 3.48Å |
| 333 | E | 98.6 | Very high | 98 | Very high | 104 Ų | 104 | 79.7 Ų | 79.7 | 49% | 0.486 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.9 | -41.7 | 179.1 | -71.5 | 167.3 | -178.2 | 0 | 0 | 111.8 | Q329 K330 K336 R337 | Q329-E333 HydrophobicContact CG-CG 4.49Å; Q329-E333 WeakPolarHBondContact CG-OE1 3.4Å; Q329-E333 PolarHBondContact NE2-OE1 3.41Å; Q329-E333 WeakPolarHBondContact O-CG 3.34Å; Q329-E333 PolarHBondContact O-N 3.39Å; K330-E333 PolarHBondContact O-N 2.94Å; E333-K336 WeakPolarHBondContact O-CB 3.13Å; E333-K336 PolarHBondContact O-N 3.21Å; E333-R337 PolarHBondContact O-N 2.99Å |
| 334 | E | 98.5 | Very high | 98 | Very high | 95 Ų | 95 | 80.6 Ų | 80.6 | 44% | 0.444 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.8 | -43.7 | 175.2 | -174.9 | 57.7 | -157.8 | 0 | 0 | 112.2 | K330 K336 R337 L338 | K330-E334 PolarHBondContact O-N 2.82Å; E334-K336 PolarHBondContact O-N 3.14Å; E334-R337 WeakPolarHBondContact O-CA 3.32Å; E334-R337 WeakPolarHBondContact O-CB 3.07Å; E334-R337 PolarHBondContact O-N 3.44Å; E334-L338 HydrophobicContact CG-CD1 4.36Å; E334-L338 WeakPolarHBondContact O-CG 3.09Å; E334-L338 PolarHBondContact O-N 3.29Å |
| 335 | L | 98.6 | Very high | 98 | Very high | 10 Ų | 10 | 79.7 Ų | 79.7 | 5% | 0.052 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.8 | -36.2 | 174.7 | -74.8 | 171.4 | 0 | 0 | 0 | 112 | K331 T339 L353 E356 I357 F360 | K331-L335 HydrophobicContact CG-CD1 4.15Å; K331-L335 WeakPolarHBondContact O-CB 3.44Å; K331-L335 VanDerWaalsContact O-CG 3.23Å; K331-L335 WeakPolarHBondContact O-CG 3.32Å; K331-L335 PolarHBondContact O-N 2.99Å; L335-T339 WeakPolarHBondContact O-CB 3.36Å; L335-T339 PolarHBondContact O-N 3.44Å; L335-T339 PolarHBondContact O-OG1 3.47Å; L335-L353 HydrophobicContact CD2-CD1 3.95Å; L335-E356 HydrophobicContact CD2-CB 3.82Å; L335-I357 HydrophobicContact CB-CG1 4.49Å; L335-I357 HydrophobicContact CD2-CG1 4.26Å; L335-F360 HydrophobicContact CD1-CB 3.65Å; L335-F360 HydrophobicContact CD1-CD1 4.43Å; L335-F360 HydrophobicContact CD1-CD2 4.05Å; L335-F360 HydrophobicContact CD1-CG 3.78Å |
| 336 | K | 98.6 | Very high | 98.1 | Very high | 136 Ų | 136 | 79.1 Ų | 79.1 | 59% | 0.591 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -62.9 | -49.4 | 169.9 | -176.6 | -171.6 | 172 | -171.4 | 0 | 110.9 | A332 E333 E334 L338 T339 D340 | A332-K336 WeakPolarHBondContact O-CB 3.29Å; A332-K336 PolarHBondContact O-N 3.38Å; E333-K336 WeakPolarHBondContact O-CB 3.13Å; E333-K336 PolarHBondContact O-N 3.21Å; E334-K336 PolarHBondContact O-N 3.14Å; K336-L338 VanDerWaalsContact C-N 3.26Å; K336-L338 PolarHBondContact O-N 2.95Å; K336-T339 CarbonylContact O-C 3.46Å; K336-T339 WeakPolarHBondContact O-CA 3.18Å; K336-T339 WeakPolarHBondContact O-CB 3.32Å; K336-T339 PolarHBondContact O-N 3.32Å; K336-D340 PolarHBondContact O-N 3.34Å |
| 337 | R | 98.4 | Very high | 98 | Very high | 135 Ų | 135 | 81.9 Ų | 81.9 | 51% | 0.509 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.2 | -35 | 179.6 | -121.9 | -157.1 | 68.5 | 71.5 | 3.8 | 113.6 | E333 E334 | E333-R337 PolarHBondContact O-N 2.99Å; E334-R337 WeakPolarHBondContact O-CA 3.32Å; E334-R337 WeakPolarHBondContact O-CB 3.07Å; E334-R337 PolarHBondContact O-N 3.44Å |
| 338 | L | 98.3 | Very high | 98 | Very high | 48 Ų | 48 | 86.2 Ų | 86.2 | 25% | 0.251 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -73.3 | -37.1 | 172.9 | -67 | 172.5 | 0 | 0 | 0 | 111.8 | E334 K336 L341 A342 M345 L353 | E334-L338 HydrophobicContact CG-CD1 4.36Å; E334-L338 WeakPolarHBondContact O-CG 3.09Å; E334-L338 PolarHBondContact O-N 3.29Å; K336-L338 VanDerWaalsContact C-N 3.26Å; K336-L338 PolarHBondContact O-N 2.95Å; L338-L341 CarbonylContact O-C 3.59Å; L338-L341 PolarHBondContact O-N 2.72Å; L338-L341 VanDerWaalsContact O-N 3.13Å; L338-A342 PolarHBondContact O-N 3.04Å; L338-M345 HydrophobicContact CB-CE 4.1Å; L338-M345 HydrophobicContact CD2-CE 3.98Å; L338-L353 HydrophobicContact CB-CD1 3.77Å; L338-L353 HydrophobicContact CB-CD2 4.15Å; L338-L353 HydrophobicContact CD1-CD1 4.32Å |
| 339 | T | 98.3 | Very high | 98 | Very high | 65 Ų | 65 | 90.1 Ų | 90.1 | 40% | 0.399 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64 | -38.8 | 174.6 | -56.3 | 0 | 0 | 0 | 0 | 112 | L335 K336 L341 A342 I357 | L335-T339 WeakPolarHBondContact O-CB 3.36Å; L335-T339 PolarHBondContact O-N 3.44Å; L335-T339 PolarHBondContact O-OG1 3.47Å; K336-T339 CarbonylContact O-C 3.46Å; K336-T339 WeakPolarHBondContact O-CA 3.18Å; K336-T339 WeakPolarHBondContact O-CB 3.32Å; K336-T339 PolarHBondContact O-N 3.32Å; T339-L341 PolarHBondContact O-N 3.21Å; T339-L341 VanDerWaalsContact O-N 3.14Å; T339-A342 WeakPolarHBondContact O-CB 3.15Å; T339-A342 PolarHBondContact O-N 3.36Å; T339-I357 WeakPolarHBondContact OG1-CD1 3.43Å |
| 340 | D | 98.1 | Very high | 98.1 | Very high | 108 Ų | 108 | 85.9 Ų | 85.9 | 58% | 0.578 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.9 | 175.2 | -63.4 | -30.1 | 0 | 0 | 0 | 112.5 | K336 | K336-D340 PolarHBondContact O-N 3.34Š|
| 341 | L | 97.7 | Very high | 98 | Very high | 59 Ų | 59 | 82 Ų | 82 | 31% | 0.309 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 1.2 | 175.8 | -62.1 | 177.8 | 0 | 0 | 0 | 113.9 | L338 T339 S343 Q344 | L338-L341 CarbonylContact O-C 3.59Å; L338-L341 PolarHBondContact O-N 2.72Å; L338-L341 VanDerWaalsContact O-N 3.13Å; T339-L341 PolarHBondContact O-N 3.21Å; T339-L341 VanDerWaalsContact O-N 3.14Å; L341-S343 PolarHBondContact O-N 3.27Å; L341-Q344 PolarHBondContact O-N 3.08Å |
| 342 | A | 97.6 | Very high | 98 | Very high | 22 Ų | 22 | 83.7 Ų | 83.7 | 18% | 0.182 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -57.9 | -27.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L338 T339 Q344 M345 L350 L353 | L338-A342 PolarHBondContact O-N 3.04Å; T339-A342 WeakPolarHBondContact O-CB 3.15Å; T339-A342 PolarHBondContact O-N 3.36Å; A342-Q344 PolarHBondContact O-N 2.83Å; A342-M345 PolarHBondContact O-N 3.23Å; A342-L350 HydrophobicContact CB-CD1 3.73Å; A342-L353 HydrophobicContact CB-CD2 4.41Å |
| 343 | S | 97.2 | Very high | 98.1 | Very high | 113 Ų | 113 | 82.6 Ų | 82.6 | 79% | 0.79 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -71.3 | -13.7 | 176.4 | 55.6 | 0 | 0 | 0 | 0 | 114.5 | L341 | L341-S343 PolarHBondContact O-N 3.27Š|
| 344 | Q | 97.3 | Very high | 98 | Very high | 158 Ų | 158 | 83.6 Ų | 83.6 | 74% | 0.738 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -103.3 | -5.3 | 177.6 | -59.9 | 173.7 | 49.9 | 0 | 0 | 112.2 | L341 A342 | L341-Q344 PolarHBondContact O-N 3.08Å; A342-Q344 PolarHBondContact O-N 2.83Å |
| 345 | M | 97.2 | Very high | 98 | Very high | 43 Ų | 43 | 81.9 Ų | 81.9 | 21% | 0.212 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -81.7 | 145.5 | -179.5 | -69.6 | -173.9 | 165.2 | 0 | 0 | 112 | L338 A342 Q349 L350 L353 | L338-M345 HydrophobicContact CB-CE 4.1Å; L338-M345 HydrophobicContact CD2-CE 3.98Å; A342-M345 PolarHBondContact O-N 3.23Å; M345-Q349 HydrophobicContact CB-CB 4.35Å; M345-Q349 HydrophobicContact SD-CB 4.39Å; M345-L350 HydrophobicContact CB-CB 4.37Å; M345-L353 HydrophobicContact CE-CD2 4.17Å; M345-L353 HydrophobicContact SD-CD2 3.8Å |
| 346 | A | 98 | Very high | 98 | Very high | 62 Ų | 62 | 86.4 Ų | 86.4 | 51% | 0.512 | 45% | 0.45 | S | S | . | . | trans | -69.4 | 148.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | M348 Q349 L350 | A346-M348 PolarHBondContact O-N 3.32Å; A346-Q349 PolarHBondContact O-N 2.77Å; A346-L350 PolarHBondContact O-N 2.82Å | ||
| 347 | E | 97.4 | Very high | 98 | Very high | 118 Ų | 118 | 82.7 Ų | 82.7 | 55% | 0.551 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -54.4 | -28 | -173.5 | -175.8 | 58.7 | -158.4 | 0 | 0 | 114 | A351 R354 | E347-A351 WeakPolarHBondContact O-CB 3.36Å; E347-A351 PolarHBondContact O-N 2.8Å; E347-R354 IonicContact OE1-CZ 3.47Å; E347-R354 IonicContact OE1-NH1 2.67Å; E347-R354 PolarHBondContact OE1-NH1 3.17Å; E347-R354 IonicContact OE1-NH2 3.31Å; E347-R354 PolarHBondContact OE1-NH2 3.03Å; E347-R354 IonicContact OE2-NH1 3.89Å; E347-R354 IonicContact OE2-NH2 3.36Å; E347-R354 PolarHBondContact OE2-NH2 2.97Å |
| 348 | M | 97.8 | Very high | 98 | Very high | 148 Ų | 148 | 84.1 Ų | 84.1 | 73% | 0.729 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.9 | -49.8 | 173.6 | -174.3 | 171.4 | -71.8 | 0 | 0 | 112.6 | A346 L350 A351 E352 | A346-M348 PolarHBondContact O-N 3.32Å; M348-L350 VanDerWaalsContact C-N 3.28Å; M348-L350 PolarHBondContact O-N 3.48Å; M348-A351 WeakPolarHBondContact O-CB 3.37Å; M348-A351 PolarHBondContact O-N 2.94Å; M348-E352 WeakPolarHBondContact O-CG 3.49Å; M348-E352 PolarHBondContact O-N 3.35Å |
| 349 | Q | 98.1 | Very high | 98 | Very high | 111 Ų | 111 | 86.6 Ų | 86.6 | 52% | 0.519 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.1 | -33.7 | 175.7 | -66.3 | -174.5 | -59.9 | 0 | 0 | 111.3 | M345 A346 A351 E352 L353 | M345-Q349 HydrophobicContact CB-CB 4.35Å; M345-Q349 HydrophobicContact SD-CB 4.39Å; A346-Q349 PolarHBondContact O-N 2.77Å; Q349-A351 VanDerWaalsContact C-N 3.33Å; Q349-E352 PolarHBondContact O-N 3.47Å; Q349-L353 WeakPolarHBondContact O-CB 3.46Å; Q349-L353 PolarHBondContact O-N 3.15Å |
| 350 | L | 98.4 | Very high | 98 | Very high | 31 Ų | 31 | 85.4 Ų | 85.4 | 16% | 0.162 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -67.3 | -34.6 | 175.2 | -170 | 55.7 | 0 | 0 | 0 | 111.7 | A342 M345 A346 M348 R354 | A342-L350 HydrophobicContact CB-CD1 3.73Å; M345-L350 HydrophobicContact CB-CB 4.37Å; A346-L350 PolarHBondContact O-N 2.82Å; M348-L350 VanDerWaalsContact C-N 3.28Å; M348-L350 PolarHBondContact O-N 3.48Å; L350-R354 WeakPolarHBondContact O-CB 3.24Å; L350-R354 WeakPolarHBondContact O-CD 3.26Å; L350-R354 WeakPolarHBondContact O-CG 3.29Å; L350-R354 PolarHBondContact O-N 3.1Å |
| 351 | A | 98.5 | Very high | 98 | Very high | 47 Ų | 47 | 83.2 Ų | 83.2 | 39% | 0.388 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.3 | -39.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E347 M348 Q349 A355 | E347-A351 WeakPolarHBondContact O-CB 3.36Å; E347-A351 PolarHBondContact O-N 2.8Å; M348-A351 WeakPolarHBondContact O-CB 3.37Å; M348-A351 PolarHBondContact O-N 2.94Å; Q349-A351 VanDerWaalsContact C-N 3.33Å; A351-A355 PolarHBondContact O-N 3.43Å |
| 352 | E | 98.1 | Very high | 97.9 | Very high | 111 Ų | 111 | 84.4 Ų | 84.4 | 52% | 0.519 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.8 | -49.4 | 173.5 | -70.2 | 171.6 | 156.6 | 0 | 0 | 111.2 | M348 Q349 R354 A355 E356 | M348-E352 WeakPolarHBondContact O-CG 3.49Å; M348-E352 PolarHBondContact O-N 3.35Å; Q349-E352 PolarHBondContact O-N 3.47Å; E352-R354 PolarHBondContact O-N 3.38Å; E352-A355 CarbonylContact O-C 3.58Å; E352-A355 WeakPolarHBondContact O-CA 3.27Å; E352-A355 WeakPolarHBondContact O-CB 3.47Å; E352-A355 PolarHBondContact O-N 2.91Å; E352-E356 PolarHBondContact O-N 3.39Å |
| 353 | L | 98.6 | Very high | 97.8 | Very high | 11 Ų | 11 | 86 Ų | 86 | 6% | 0.058 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -58.4 | -44.3 | 176.1 | 178.7 | 60.9 | 0 | 0 | 0 | 112.3 | L335 L338 A342 M345 Q349 A355 E356 I357 | L335-L353 HydrophobicContact CD2-CD1 3.95Å; L338-L353 HydrophobicContact CB-CD1 3.77Å; L338-L353 HydrophobicContact CB-CD2 4.15Å; L338-L353 HydrophobicContact CD1-CD1 4.32Å; A342-L353 HydrophobicContact CB-CD2 4.41Å; M345-L353 HydrophobicContact CE-CD2 4.17Å; M345-L353 HydrophobicContact SD-CD2 3.8Å; Q349-L353 WeakPolarHBondContact O-CB 3.46Å; Q349-L353 PolarHBondContact O-N 3.15Å; L353-A355 VanDerWaalsContact C-N 3.26Å; L353-A355 PolarHBondContact O-N 2.86Å; L353-E356 PolarHBondContact O-N 3.16Å; L353-I357 HydrophobicContact CD1-CD1 3.89Å; L353-I357 HydrophobicContact CD1-CG1 4.16Å; L353-I357 HydrophobicContact CG-CD1 3.87Å; L353-I357 WeakPolarHBondContact O-CB 3.38Å; L353-I357 VanDerWaalsContact O-CG1 3.27Å; L353-I357 WeakPolarHBondContact O-CG1 3.38Å; L353-I357 PolarHBondContact O-N 2.96Å |
| 354 | R | 98.4 | Very high | 97.7 | Very high | 124 Ų | 124 | 87.1 Ų | 87.1 | 47% | 0.468 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.1 | -36.9 | 173.5 | -72.3 | 165.7 | -168.2 | 150.9 | 0.1 | 111.8 | E347 L350 E352 K358 | E347-R354 IonicContact OE1-CZ 3.47Å; E347-R354 IonicContact OE1-NH1 2.67Å; E347-R354 PolarHBondContact OE1-NH1 3.17Å; E347-R354 IonicContact OE1-NH2 3.31Å; E347-R354 PolarHBondContact OE1-NH2 3.03Å; E347-R354 IonicContact OE2-NH1 3.89Å; E347-R354 IonicContact OE2-NH2 3.36Å; E347-R354 PolarHBondContact OE2-NH2 2.97Å; L350-R354 WeakPolarHBondContact O-CB 3.24Å; L350-R354 WeakPolarHBondContact O-CD 3.26Å; L350-R354 WeakPolarHBondContact O-CG 3.29Å; L350-R354 PolarHBondContact O-N 3.1Å; E352-R354 PolarHBondContact O-N 3.38Å; R354-K358 WeakPolarHBondContact O-CB 3.38Å; R354-K358 PolarHBondContact O-N 3.1Å; R354-K358 VanDerWaalsContact O-N 3.15Å |
| 355 | A | 98.6 | Very high | 97.6 | Very high | 60 Ų | 60 | 87.1 Ų | 87.1 | 50% | 0.496 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -72.3 | -41.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A351 E352 L353 K358 H359 | A351-A355 PolarHBondContact O-N 3.43Å; E352-A355 CarbonylContact O-C 3.58Å; E352-A355 WeakPolarHBondContact O-CA 3.27Å; E352-A355 WeakPolarHBondContact O-CB 3.47Å; E352-A355 PolarHBondContact O-N 2.91Å; L353-A355 VanDerWaalsContact C-N 3.26Å; L353-A355 PolarHBondContact O-N 2.86Å; A355-K358 PolarHBondContact O-N 2.81Å; A355-H359 WeakPolarHBondContact O-CB 3.29Å; A355-H359 PolarHBondContact O-N 3.05Å |
| 356 | E | 98.2 | Very high | 97.5 | Very high | 104 Ų | 104 | 91.1 Ų | 91.1 | 49% | 0.486 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 176.3 | -70.8 | -166.5 | -171.6 | 0 | 0 | 112.5 | L335 E352 L353 K358 H359 F360 | L335-E356 HydrophobicContact CD2-CB 3.82Å; E352-E356 PolarHBondContact O-N 3.39Å; L353-E356 PolarHBondContact O-N 3.16Å; E356-K358 VanDerWaalsContact C-N 3.34Å; E356-K358 PolarHBondContact O-N 3.26Å; E356-H359 PolarHBondContact O-N 2.69Å; E356-F360 WeakPolarHBondContact O-CB 3.27Å; E356-F360 PolarHBondContact O-N 3.19Å |
| 357 | I | 98.4 | Very high | 97.4 | Very high | 58 Ų | 58 | 90 Ų | 90 | 30% | 0.297 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 173.9 | -67.5 | 166.3 | 0 | 0 | 0 | 110.3 | L335 T339 L353 H359 F360 V361 | L335-I357 HydrophobicContact CB-CG1 4.49Å; L335-I357 HydrophobicContact CD2-CG1 4.26Å; T339-I357 WeakPolarHBondContact OG1-CD1 3.43Å; L353-I357 HydrophobicContact CD1-CD1 3.89Å; L353-I357 HydrophobicContact CD1-CG1 4.16Å; L353-I357 HydrophobicContact CG-CD1 3.87Å; L353-I357 WeakPolarHBondContact O-CB 3.38Å; L353-I357 VanDerWaalsContact O-CG1 3.27Å; L353-I357 WeakPolarHBondContact O-CG1 3.38Å; L353-I357 PolarHBondContact O-N 2.96Å; I357-H359 VanDerWaalsContact C-N 3.34Å; I357-H359 PolarHBondContact O-N 3.16Å; I357-F360 PolarHBondContact O-N 3.3Å; I357-V361 HydrophobicContact CG2-CG2 4.48Å; I357-V361 WeakPolarHBondContact O-CB 3.21Å; I357-V361 VanDerWaalsContact O-CG2 3.31Å; I357-V361 WeakPolarHBondContact O-CG2 3.24Å; I357-V361 PolarHBondContact O-N 3.47Å |
| 358 | K | 98.2 | Very high | 97.1 | Very high | 165 Ų | 165 | 89.7 Ų | 89.7 | 72% | 0.717 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -60.2 | -42.8 | 176.3 | -177.1 | -179.9 | 178.5 | -178.5 | 0 | 111.9 | R354 A355 E356 S362 | R354-K358 WeakPolarHBondContact O-CB 3.38Å; R354-K358 PolarHBondContact O-N 3.1Å; R354-K358 VanDerWaalsContact O-N 3.15Å; A355-K358 PolarHBondContact O-N 2.81Å; E356-K358 VanDerWaalsContact C-N 3.34Å; E356-K358 PolarHBondContact O-N 3.26Å; K358-S362 WeakPolarHBondContact O-CB 3.26Å; K358-S362 PolarHBondContact O-N 2.85Å |
| 359 | H | 98 | Very high | 96.9 | Very high | 100 Ų | 100 | 87.2 Ų | 87.2 | 46% | 0.463 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.4 | -49.9 | 176.1 | 176.1 | 18.6 | 0 | 0 | 0 | 111.3 | A355 E356 I357 V361 S362 E363 | A355-H359 WeakPolarHBondContact O-CB 3.29Å; A355-H359 PolarHBondContact O-N 3.05Å; E356-H359 PolarHBondContact O-N 2.69Å; I357-H359 VanDerWaalsContact C-N 3.34Å; I357-H359 PolarHBondContact O-N 3.16Å; H359-V361 VanDerWaalsContact C-N 3.3Å; H359-V361 PolarHBondContact O-N 2.86Å; H359-S362 PolarHBondContact O-N 3.38Å; H359-S362 PolarHBondContact O-OG 2.84Å; H359-E363 VanDerWaalsContact CE1-CD 3.47Å; H359-E363 IonicContact CE1-OE1 2.71Å; H359-E363 PolarHBondContact CE1-OE1 3.48Å; H359-E363 IonicContact ND1-OE1 3.67Å; H359-E363 IonicContact NE2-OE1 3.98Å; H359-E363 WeakPolarHBondContact O-CG 3.24Å; H359-E363 PolarHBondContact O-N 3.12Å; H359-E363 VanDerWaalsContact O-N 3.15Å |
| 360 | F | 98.1 | Very high | 96.7 | Very high | 40 Ų | 40 | 83 Ų | 83 | 18% | 0.175 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -54.2 | -44.6 | 177 | 176 | -93.3 | 0 | 0 | 0 | 112.7 | R328 K331 A332 L335 E356 I357 E363 | R328-F360 HydrophobicContact CG-CE2 3.81Å; R328-F360 HydrophobicContact CG-CZ 4.39Å; R328-F360 PolarHBondContact NH2-O 3.14Å; R328-F360 WeakPolarHBondContact O-CE2 3.35Å; K331-F360 HydrophobicContact CB-CD2 4.47Å; K331-F360 HydrophobicContact CB-CE2 4.36Å; K331-F360 HydrophobicContact CD-CD2 3.88Å; K331-F360 HydrophobicContact CD-CE2 4.44Å; K331-F360 HydrophobicContact CG-CD2 3.96Å; K331-F360 HydrophobicContact CG-CE2 4.34Å; A332-F360 HydrophobicContact CB-CE1 4.06Å; A332-F360 HydrophobicContact CB-CE2 4.04Å; A332-F360 HydrophobicContact CB-CZ 3.48Å; A332-F360 VanDerWaalsContact CB-CZ 3.48Å; L335-F360 HydrophobicContact CD1-CB 3.65Å; L335-F360 HydrophobicContact CD1-CD1 4.43Å; L335-F360 HydrophobicContact CD1-CD2 4.05Å; L335-F360 HydrophobicContact CD1-CG 3.78Å; E356-F360 WeakPolarHBondContact O-CB 3.27Å; E356-F360 PolarHBondContact O-N 3.19Å; I357-F360 PolarHBondContact O-N 3.3Å; F360-E363 WeakPolarHBondContact CA-OE2 3.44Å; F360-E363 PolarHBondContact O-N 3.29Å |
| 361 | V | 97.7 | Very high | 96.3 | Very high | 63 Ų | 63 | 84.9 Ų | 84.9 | 38% | 0.382 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.4 | -35.4 | 177.6 | 172.4 | 0 | 0 | 0 | 0 | 112.1 | I357 H359 E363 R364 | I357-V361 HydrophobicContact CG2-CG2 4.48Å; I357-V361 WeakPolarHBondContact O-CB 3.21Å; I357-V361 VanDerWaalsContact O-CG2 3.31Å; I357-V361 WeakPolarHBondContact O-CG2 3.24Å; I357-V361 PolarHBondContact O-N 3.47Å; H359-V361 VanDerWaalsContact C-N 3.3Å; H359-V361 PolarHBondContact O-N 2.86Å; V361-E363 VanDerWaalsContact C-N 3.29Å; V361-E363 PolarHBondContact O-N 3.43Å; V361-R364 WeakPolarHBondContact O-CB 3.31Å; V361-R364 PolarHBondContact O-N 3.46Å |
| 362 | S | 96.6 | Very high | 95.9 | Very high | 83 Ų | 83 | 86.2 Ų | 86.2 | 58% | 0.58 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66.6 | -29.2 | 177.4 | 73.4 | 0 | 0 | 0 | 0 | 113.5 | K358 H359 R364 | K358-S362 WeakPolarHBondContact O-CB 3.26Å; K358-S362 PolarHBondContact O-N 2.85Å; H359-S362 PolarHBondContact O-N 3.38Å; H359-S362 PolarHBondContact O-OG 2.84Å; S362-R364 PolarHBondContact O-N 2.93Å |
| 363 | E | 96.1 | Very high | 95.3 | Very high | 57 Ų | 57 | 83.9 Ų | 83.9 | 27% | 0.266 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -9.9 | 178.4 | -69.6 | 171 | 135.5 | 0 | 0 | 113.3 | R328 K331 H359 F360 V361 K365 Y366 | R328-E363 IonicContact CZ-OE2 2.75Å; R328-E363 IonicContact NH1-OE2 2.64Å; R328-E363 PolarHBondContact NH1-OE2 3.41Å; R328-E363 VanDerWaalsContact NH2-CB 3.31Å; K331-E363 IonicContact NZ-OE1 3.88Å; K331-E363 IonicContact NZ-OE2 2.65Å; K331-E363 PolarHBondContact NZ-OE2 2.91Å; H359-E363 VanDerWaalsContact CE1-CD 3.47Å; H359-E363 IonicContact CE1-OE1 2.71Å; H359-E363 PolarHBondContact CE1-OE1 3.48Å; H359-E363 IonicContact ND1-OE1 3.67Å; H359-E363 IonicContact NE2-OE1 3.98Å; H359-E363 WeakPolarHBondContact O-CG 3.24Å; H359-E363 PolarHBondContact O-N 3.12Å; H359-E363 VanDerWaalsContact O-N 3.15Å; F360-E363 WeakPolarHBondContact CA-OE2 3.44Å; F360-E363 PolarHBondContact O-N 3.29Å; V361-E363 VanDerWaalsContact C-N 3.29Å; V361-E363 PolarHBondContact O-N 3.43Å; E363-K365 PolarHBondContact O-N 2.85Å; E363-Y366 VanDerWaalsContact O-CB 3.27Å; E363-Y366 WeakPolarHBondContact O-CB 3.5Å; E363-Y366 PolarHBondContact O-N 3.14Å |
| 364 | R | 94.9 | Very high | 94.4 | Very high | 136 Ų | 136 | 86.2 Ų | 86.2 | 51% | 0.513 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -51.3 | -35 | -175.6 | -175.5 | -179.6 | -65.7 | 106.8 | -1.5 | 114.4 | V361 S362 Y366 D367 E368 | V361-R364 WeakPolarHBondContact O-CB 3.31Å; V361-R364 PolarHBondContact O-N 3.46Å; S362-R364 PolarHBondContact O-N 2.93Å; R364-Y366 PolarHBondContact O-N 3.37Å; R364-D367 WeakPolarHBondContact CA-OD2 3.12Å; R364-D367 WeakPolarHBondContact O-CB 3.49Å; R364-D367 PolarHBondContact O-N 2.98Å; R364-D367 VanDerWaalsContact O-N 3.08Å; R364-E368 PolarHBondContact O-N 3.23Å |
| 365 | K | 94.3 | Very high | 93.9 | Very high | 157 Ų | 157 | 89.4 Ų | 89.4 | 68% | 0.683 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61 | -29.4 | 178 | -174.5 | 179.1 | 176.7 | -174.7 | 0 | 112.7 | E363 E369 | E363-K365 PolarHBondContact O-N 2.85Å; K365-E369 PolarHBondContact O-N 2.83Å |
| 366 | Y | 95.8 | Very high | 93.6 | Very high | 127 Ų | 127 | 92.5 Ų | 92.5 | 50% | 0.498 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.6 | -38.7 | 175.2 | 175.9 | -98.9 | 0 | 0 | 0 | 111.5 | I324 E363 R364 E368 E369 L370 | I324-Y366 HydrophobicContact CG2-CE1 3.96Å; E363-Y366 VanDerWaalsContact O-CB 3.27Å; E363-Y366 WeakPolarHBondContact O-CB 3.5Å; E363-Y366 PolarHBondContact O-N 3.14Å; R364-Y366 PolarHBondContact O-N 3.37Å; Y366-E368 VanDerWaalsContact C-N 3.31Å; Y366-E368 PolarHBondContact O-N 3.15Å; Y366-E369 PolarHBondContact O-N 2.89Å; Y366-E369 VanDerWaalsContact O-N 3.12Å; Y366-L370 HydrophobicContact CE1-CB 4.46Å; Y366-L370 HydrophobicContact CE1-CD2 4.16Å; Y366-L370 WeakPolarHBondContact O-CB 3.45Å; Y366-L370 PolarHBondContact O-N 3.42Å |
| 367 | D | 94.7 | Very high | 93.4 | Very high | 39 Ų | 39 | 92.8 Ų | 92.8 | 21% | 0.209 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -60.6 | -42 | 178.3 | -53.6 | -37.4 | 0 | 0 | 0 | 111.6 | R328 R364 E369 L370 G371 | R328-D367 WeakPolarHBondContact CD-OD1 3.5Å; R328-D367 IonicContact CZ-OD1 3.71Å; R328-D367 IonicContact CZ-OD2 3.22Å; R328-D367 VanDerWaalsContact CZ-OD2 3.31Å; R328-D367 IonicContact NE-OD1 2.72Å; R328-D367 PolarHBondContact NE-OD1 3.4Å; R328-D367 IonicContact NE-OD2 2.94Å; R328-D367 PolarHBondContact NE-OD2 3.09Å; R328-D367 IonicContact NH2-OD1 2.61Å; R328-D367 IonicContact NH2-OD2 2.75Å; R328-D367 PolarHBondContact NH2-OD2 3.3Å; R364-D367 WeakPolarHBondContact CA-OD2 3.12Å; R364-D367 WeakPolarHBondContact O-CB 3.49Å; R364-D367 PolarHBondContact O-N 2.98Å; R364-D367 VanDerWaalsContact O-N 3.08Å; D367-E369 VanDerWaalsContact C-N 3.31Å; D367-E369 PolarHBondContact O-N 2.78Å; D367-L370 PolarHBondContact O-N 2.83Å; D367-G371 PolarHBondContact O-N 3.37Å; D367-G371 VanDerWaalsContact O-N 3.1Å |
| 368 | E | 92.8 | Very high | 93.1 | Very high | 111 Ų | 111 | 93.4 Ų | 93.4 | 52% | 0.519 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.6 | -29.9 | 176.8 | -67.3 | 176.8 | -144.8 | 0 | 0 | 113.3 | R364 Y366 K372 | R364-E368 PolarHBondContact O-N 3.23Å; Y366-E368 VanDerWaalsContact C-N 3.31Å; Y366-E368 PolarHBondContact O-N 3.15Å; E368-K372 VanDerWaalsContact O-CD 3.26Å; E368-K372 WeakPolarHBondContact O-CD 3.32Å; E368-K372 WeakPolarHBondContact O-CE 3.26Å; E368-K372 WeakPolarHBondContact O-CG 3.4Å; E368-K372 PolarHBondContact O-NZ 3.48Å |
| 369 | E | 93.3 | Very high | 92.9 | Very high | 97 Ų | 97 | 89.8 Ų | 89.8 | 45% | 0.453 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -88.2 | -33.2 | 176.8 | -65.4 | -53.7 | 130.7 | 0 | 0 | 112.3 | K365 Y366 D367 G371 K372 A373 | K365-E369 PolarHBondContact O-N 2.83Å; Y366-E369 PolarHBondContact O-N 2.89Å; Y366-E369 VanDerWaalsContact O-N 3.12Å; D367-E369 VanDerWaalsContact C-N 3.31Å; D367-E369 PolarHBondContact O-N 2.78Å; E369-G371 VanDerWaalsContact C-N 3.3Å; E369-G371 PolarHBondContact O-N 3.49Å; E369-K372 CarbonylContact O-C 3.46Å; E369-K372 WeakPolarHBondContact O-CA 3.42Å; E369-K372 WeakPolarHBondContact O-CB 3.23Å; E369-K372 PolarHBondContact O-N 3.46Å; E369-K372 IonicContact OE1-NZ 3.18Å; E369-K372 PolarHBondContact OE1-NZ 2.94Å; E369-K372 IonicContact OE2-NZ 3.68Å; E369-A373 PolarHBondContact O-N 2.95Å |
| 370 | L | 93.9 | Very high | 92.8 | Very high | 22 Ų | 22 | 90 Ų | 90 | 12% | 0.115 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -58 | -43.7 | 171.6 | -176.5 | 66.5 | 0 | 0 | 0 | 110.7 | A321 I324 L325 Y366 D367 K372 A373 | A321-L370 HydrophobicContact CB-CD1 4.04Å; A321-L370 HydrophobicContact CB-CG 4.23Å; I324-L370 HydrophobicContact CB-CD2 4Å; I324-L370 HydrophobicContact CD1-CD1 4.27Å; I324-L370 HydrophobicContact CG2-CD2 3.58Å; L325-L370 HydrophobicContact CD2-CD2 4.11Å; L325-L370 HydrophobicContact CG-CD2 4Å; Y366-L370 HydrophobicContact CE1-CB 4.46Å; Y366-L370 HydrophobicContact CE1-CD2 4.16Å; Y366-L370 WeakPolarHBondContact O-CB 3.45Å; Y366-L370 PolarHBondContact O-N 3.42Å; D367-L370 PolarHBondContact O-N 2.83Å; L370-K372 PolarHBondContact O-N 3.12Å; L370-A373 WeakPolarHBondContact O-CB 3.27Å; L370-A373 PolarHBondContact O-N 3.01Å; L370-A373 VanDerWaalsContact O-N 3.14Å |
| 371 | G | 89.6 | Confident | 92.8 | Very high | 70 Ų | 70 | 94.1 Ų | 94.1 | 72% | 0.722 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -6.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | D367 E369 | D367-G371 PolarHBondContact O-N 3.37Å; D367-G371 VanDerWaalsContact O-N 3.1Å; E369-G371 VanDerWaalsContact C-N 3.3Å; E369-G371 PolarHBondContact O-N 3.49Å |
| 372 | K | 90.5 | Very high | 92.7 | Very high | 75 Ų | 75 | 96.6 Ų | 96.6 | 33% | 0.326 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -2.5 | 177.3 | -60.8 | 167.3 | -169.9 | 126.4 | 0 | 113.1 | E368 E369 L370 R375 | E368-K372 VanDerWaalsContact O-CD 3.26Å; E368-K372 WeakPolarHBondContact O-CD 3.32Å; E368-K372 WeakPolarHBondContact O-CE 3.26Å; E368-K372 WeakPolarHBondContact O-CG 3.4Å; E368-K372 PolarHBondContact O-NZ 3.48Å; E369-K372 CarbonylContact O-C 3.46Å; E369-K372 WeakPolarHBondContact O-CA 3.42Å; E369-K372 WeakPolarHBondContact O-CB 3.23Å; E369-K372 PolarHBondContact O-N 3.46Å; E369-K372 IonicContact OE1-NZ 3.18Å; E369-K372 PolarHBondContact OE1-NZ 2.94Å; E369-K372 IonicContact OE2-NZ 3.68Å; L370-K372 PolarHBondContact O-N 3.12Å; K372-R375 PolarHBondContact O-NH1 3.02Å |
| 373 | A | 84.2 | Confident | 92.6 | Very high | 63 Ų | 63 | 96.3 Ų | 96.3 | 52% | 0.521 | 49% | 0.494 | S | S | . | . | trans | -73.5 | -34.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114 | E369 L370 R375 | E369-A373 PolarHBondContact O-N 2.95Å; L370-A373 WeakPolarHBondContact O-CB 3.27Å; L370-A373 PolarHBondContact O-N 3.01Å; L370-A373 VanDerWaalsContact O-N 3.14Å; A373-R375 PolarHBondContact O-N 3.36Å | ||
| 374 | A | 80.3 | Confident | 92.5 | Very high | 60 Ų | 60 | 98.8 Ų | 98.8 | 50% | 0.496 | 50% | 0.504 | S | S | . | . | trans | -74.2 | 94.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | M314 V317 | M314-A374 HydrophobicContact SD-CB 3.99Å; V317-A374 HydrophobicContact CG1-CB 4.16Å | ||
| 375 | R | 87.5 | Confident | 92.6 | Very high | 191 Ų | 191 | 94.9 Ų | 94.9 | 72% | 0.721 | 50% | 0.501 | S | S | * | . | trans | -139.2 | 120.8 | 176.6 | -70.4 | -174.1 | 171.8 | 124.9 | -4.2 | 112.1 | K372 A373 | K372-R375 PolarHBondContact O-NH1 3.02Å; A373-R375 PolarHBondContact O-N 3.36Å | ||
| 376 | F | 93.1 | Very high | 92.7 | Very high | 124 Ų | 124 | 93.1 Ų | 93.1 | 54% | 0.544 | 50% | 0.495 | S | S | . | . | trans | -87.1 | 144.8 | 167.8 | 176.3 | -117.6 | 0 | 0 | 0 | 110.8 | L310 M314 C378 | L310-F376 HydrophobicContact CD1-CE2 3.83Å; L310-F376 HydrophobicContact CD1-CZ 4.38Å; L310-F376 HydrophobicContact CD2-CE2 4.35Å; M314-F376 HydrophobicContact CE-CB 3.98Å; F376-C378 HydrophobicContact CE1-CB 3.96Å; F376-C378 HydrophobicContact CE2-CB 4.25Å; F376-C378 HydrophobicContact CZ-CB 3.56Å | ||
| 377 | S | 92.6 | Very high | 92.6 | Very high | 111 Ų | 111 | 89.9 Ų | 89.9 | 78% | 0.776 | 49% | 0.486 | S | S | * | . | trans | -147.2 | 142.7 | 171.1 | 60.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 378 | C | 93.1 | Very high | 92.6 | Very high | 70 Ų | 70 | 95.6 Ų | 95.6 | 47% | 0.473 | 51% | 0.513 | S | S | . | . | trans | -151.9 | 129.2 | -178.6 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | F376 I380 | F376-C378 HydrophobicContact CE1-CB 3.96Å; F376-C378 HydrophobicContact CE2-CB 4.25Å; F376-C378 HydrophobicContact CZ-CB 3.56Å; C378-I380 PolarHBondContact O-N 3.33Å | ||
| 379 | D | 94.9 | Very high | 92.7 | Very high | 89 Ų | 89 | 97.4 Ų | 97.4 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | trans | -85.1 | 90.8 | 171.8 | -171.5 | -16.8 | 0 | 0 | 0 | 110 | E381 Q382 L383 | D379-E381 VanDerWaalsContact C-N 3.27Å; D379-E381 PolarHBondContact O-N 3.36Å; D379-E381 PolarHBondContact OD1-N 2.61Å; D379-Q382 HydrophobicContact CB-CB 4.02Å; D379-Q382 PolarHBondContact OD1-N 3.28Å; D379-Q382 WeakPolarHBondContact OD2-CB 3.4Å; D379-L383 WeakPolarHBondContact O-CB 3.33Å; D379-L383 PolarHBondContact O-N 2.84Å; D379-L383 VanDerWaalsContact O-N 3.09Å | ||
| 380 | I | 95.4 | Very high | 92.6 | Very high | 104 Ų | 104 | 96 Ų | 96 | 53% | 0.533 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66 | -30.7 | 179.3 | -61.1 | 173.3 | 0 | 0 | 0 | 111.2 | C378 K384 | C378-I380 PolarHBondContact O-N 3.33Å; I380-K384 HydrophobicContact CG2-CD 4.25Å; I380-K384 HydrophobicContact CG2-CG 4.48Å; I380-K384 WeakPolarHBondContact O-CB 3.39Å; I380-K384 WeakPolarHBondContact O-CD 3.44Å; I380-K384 WeakPolarHBondContact O-CG 3.46Å; I380-K384 PolarHBondContact O-N 3Å |
| 381 | E | 96.9 | Very high | 92.6 | Very high | 128 Ų | 128 | 98.4 Ų | 98.4 | 60% | 0.598 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.6 | -46 | -179.5 | -69.1 | -69.7 | 99.9 | 0 | 0 | 110.8 | D379 L383 K384 A385 | D379-E381 VanDerWaalsContact C-N 3.27Å; D379-E381 PolarHBondContact O-N 3.36Å; D379-E381 PolarHBondContact OD1-N 2.61Å; E381-L383 VanDerWaalsContact C-N 3.35Å; E381-L383 PolarHBondContact O-N 3.2Å; E381-K384 PolarHBondContact O-N 3.03Å; E381-K384 IonicContact OE1-NZ 3.93Å; E381-K384 PolarHBondContact OE1-NZ 2.83Å; E381-A385 WeakPolarHBondContact O-CB 3.37Å; E381-A385 PolarHBondContact O-N 2.83Å |
| 382 | Q | 96.4 | Very high | 92.8 | Very high | 115 Ų | 115 | 103.3 Ų | 103.3 | 54% | 0.537 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.7 | -40.7 | 174.4 | -177.4 | 177.6 | 87 | 0 | 0 | 111.8 | D379 A385 Q386 | D379-Q382 HydrophobicContact CB-CB 4.02Å; D379-Q382 PolarHBondContact OD1-N 3.28Å; D379-Q382 WeakPolarHBondContact OD2-CB 3.4Å; Q382-A385 PolarHBondContact O-N 2.98Å; Q382-Q386 WeakPolarHBondContact O-CG 3.37Å; Q382-Q386 PolarHBondContact O-N 3.2Å |
| 383 | L | 94.6 | Very high | 93 | Very high | 77 Ų | 77 | 105.7 Ų | 105.7 | 40% | 0.403 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.9 | -46.5 | 176.6 | -179.3 | 58.8 | 0 | 0 | 0 | 111.8 | D379 E381 A385 Q386 I387 | D379-L383 WeakPolarHBondContact O-CB 3.33Å; D379-L383 PolarHBondContact O-N 2.84Å; D379-L383 VanDerWaalsContact O-N 3.09Å; E381-L383 VanDerWaalsContact C-N 3.35Å; E381-L383 PolarHBondContact O-N 3.2Å; L383-A385 VanDerWaalsContact C-N 3.3Å; L383-A385 PolarHBondContact O-N 3.39Å; L383-Q386 PolarHBondContact O-N 2.85Å; L383-I387 HydrophobicContact CD1-CD1 4.17Å; L383-I387 HydrophobicContact CD1-CG1 4.45Å; L383-I387 HydrophobicContact CG-CD1 4.03Å; L383-I387 WeakPolarHBondContact O-CG1 3.21Å; L383-I387 PolarHBondContact O-N 3.21Å |
| 384 | K | 94.9 | Very high | 93.5 | Very high | 109 Ų | 109 | 108.4 Ų | 108.4 | 47% | 0.474 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -55.9 | -45.2 | 172.6 | -75.1 | 165.6 | -176.4 | 165.6 | 0 | 111.5 | I380 E381 Q386 I387 M388 | I380-K384 HydrophobicContact CG2-CD 4.25Å; I380-K384 HydrophobicContact CG2-CG 4.48Å; I380-K384 WeakPolarHBondContact O-CB 3.39Å; I380-K384 WeakPolarHBondContact O-CD 3.44Å; I380-K384 WeakPolarHBondContact O-CG 3.46Å; I380-K384 PolarHBondContact O-N 3Å; E381-K384 PolarHBondContact O-N 3.03Å; E381-K384 IonicContact OE1-NZ 3.93Å; E381-K384 PolarHBondContact OE1-NZ 2.83Å; K384-Q386 VanDerWaalsContact C-N 3.31Å; K384-Q386 PolarHBondContact O-N 2.96Å; K384-I387 PolarHBondContact O-N 3.43Å; K384-M388 WeakPolarHBondContact O-CG 3.46Å; K384-M388 PolarHBondContact O-N 3.17Å |
| 385 | A | 96.8 | Very high | 94.1 | Very high | 54 Ų | 54 | 112.6 Ų | 112.6 | 45% | 0.446 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.5 | -38.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E381 Q382 L383 L389 | E381-A385 WeakPolarHBondContact O-CB 3.37Å; E381-A385 PolarHBondContact O-N 2.83Å; Q382-A385 PolarHBondContact O-N 2.98Å; L383-A385 VanDerWaalsContact C-N 3.3Å; L383-A385 PolarHBondContact O-N 3.39Å; A385-L389 WeakPolarHBondContact O-CG 3.45Å; A385-L389 PolarHBondContact O-N 3.46Å |
| 386 | Q | 94.8 | Very high | 94.3 | Very high | 120 Ų | 120 | 109.9 Ų | 109.9 | 56% | 0.561 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.3 | -42.2 | 173.7 | -68.4 | 179 | 25.4 | 0 | 0 | 112.2 | Q382 L383 K384 M388 L389 C390 | Q382-Q386 WeakPolarHBondContact O-CG 3.37Å; Q382-Q386 PolarHBondContact O-N 3.2Å; L383-Q386 PolarHBondContact O-N 2.85Å; K384-Q386 VanDerWaalsContact C-N 3.31Å; K384-Q386 PolarHBondContact O-N 2.96Å; Q386-M388 VanDerWaalsContact C-N 3.33Å; Q386-M388 PolarHBondContact O-N 3.48Å; Q386-L389 PolarHBondContact O-N 3.31Å; Q386-L389 VanDerWaalsContact O-N 3.14Å; Q386-C390 PolarHBondContact O-N 2.85Å |
| 387 | I | 94.6 | Very high | 94.2 | Very high | 59 Ų | 59 | 112.7 Ų | 112.7 | 30% | 0.303 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.8 | -39.5 | 177 | -66.1 | 168 | 0 | 0 | 0 | 111.2 | L299 I303 L383 K384 L389 C390 | L299-I387 HydrophobicContact CD2-CG1 4.48Å; I303-I387 HydrophobicContact CD1-CD1 4.43Å; L383-I387 HydrophobicContact CD1-CD1 4.17Å; L383-I387 HydrophobicContact CD1-CG1 4.45Å; L383-I387 HydrophobicContact CG-CD1 4.03Å; L383-I387 WeakPolarHBondContact O-CG1 3.21Å; L383-I387 PolarHBondContact O-N 3.21Å; K384-I387 PolarHBondContact O-N 3.43Å; I387-L389 PolarHBondContact O-N 3.13Å; I387-C390 WeakPolarHBondContact O-CB 3.22Å; I387-C390 PolarHBondContact O-N 3.12Å |
| 388 | M | 94.3 | Very high | 94.1 | Very high | 159 Ų | 159 | 113.4 Ų | 113.4 | 78% | 0.783 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -14.8 | 176.6 | -72.8 | -58.3 | -55 | 0 | 0 | 114.3 | K384 Q386 | K384-M388 WeakPolarHBondContact O-CG 3.46Å; K384-M388 PolarHBondContact O-N 3.17Å; Q386-M388 VanDerWaalsContact C-N 3.33Å; Q386-M388 PolarHBondContact O-N 3.48Å |
| 389 | L | 94.6 | Very high | 94 | Very high | 149 Ų | 149 | 117 Ų | 117 | 78% | 0.78 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 2.9 | 173.4 | -65.7 | 170.1 | 0 | 0 | 0 | 112.6 | A385 Q386 I387 G391 | A385-L389 WeakPolarHBondContact O-CG 3.45Å; A385-L389 PolarHBondContact O-N 3.46Å; Q386-L389 PolarHBondContact O-N 3.31Å; Q386-L389 VanDerWaalsContact O-N 3.14Å; I387-L389 PolarHBondContact O-N 3.13Å; L389-G391 PolarHBondContact O-N 3.29Å |
| 390 | C | 92.1 | Very high | 93.7 | Very high | 68 Ų | 68 | 121.7 Ų | 121.7 | 46% | 0.459 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -84.5 | 103.8 | -173.7 | -166.2 | 0 | 0 | 0 | 0 | 112.6 | Q386 I387 | Q386-C390 PolarHBondContact O-N 2.85Å; I387-C390 WeakPolarHBondContact O-CB 3.22Å; I387-C390 PolarHBondContact O-N 3.12Å |
| 391 | G | 92.9 | Very high | 93.2 | Very high | 72 Ų | 72 | 121.7 Ų | 121.7 | 74% | 0.742 | 64% | 0.644 | S | S | * | * | trans | 97.8 | 143.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L389 | L389-G391 PolarHBondContact O-N 3.29Š| ||
| 392 | E | 94.8 | Very high | 92.1 | Very high | 172 Ų | 172 | 121.5 Ų | 121.5 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | trans | -134.4 | 158.8 | 178.9 | 60.1 | 164 | -162.4 | 0 | 0 | 112.1 | ||||
| 393 | I | 95.4 | Very high | 91.2 | Very high | 126 Ų | 126 | 126.5 Ų | 126.5 | 65% | 0.646 | 67% | 0.671 | S | S | * | * | trans | -121.7 | 111.7 | 177.7 | -61.5 | 177.8 | 0 | 0 | 0 | 109.3 | H395 | I393-H395 PolarHBondContact O-CE1 3.02Å; I393-H395 PolarHBondContact O-ND1 3.28Å | ||
| 394 | T | 93.3 | Very high | 90 | Very high | 120 Ų | 120 | 129 Ų | 129 | 74% | 0.736 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 133.9 | 175.2 | 55.8 | 0 | 0 | 0 | 0 | 111 | ||
| 395 | H | 93.3 | Very high | 88.3 | Confident | 148 Ų | 148 | 128.9 Ų | 128.9 | 69% | 0.685 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 142.9 | -174 | -72 | 64.3 | 0 | 0 | 0 | 111.7 | I393 K397 | I393-H395 PolarHBondContact O-CE1 3.02Å; I393-H395 PolarHBondContact O-ND1 3.28Å; H395-K397 PolarHBondContact O-N 2.99Å |
| 396 | P | 92.4 | Very high | 86.3 | Confident | 133 Ų | 133 | 131 Ų | 131 | 86% | 0.864 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 125.8 | -176.4 | 27.2 | -34.5 | 0 | 0 | 0 | 112 | ||
| 397 | K | 91.2 | Very high | 84.2 | Confident | 184 Ų | 184 | 129.4 Ų | 129.4 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -92 | 116.8 | -179 | -62.8 | -179.2 | -178.5 | 178 | 0 | 111.1 | H395 N399 | H395-K397 PolarHBondContact O-N 2.99Å; K397-N399 PolarHBondContact O-N 3.23Å; K397-N399 PolarHBondContact O-ND2 3.38Å |
| 398 | N | 90.1 | Very high | 82.2 | Confident | 126 Ų | 126 | 131.2 Ų | 131.2 | 67% | 0.674 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 123.5 | 170.9 | -178.3 | 14.5 | 0 | 0 | 0 | 110.3 | Y400 | N398-Y400 VanDerWaalsContact OD1-CD2 3.29Å; N398-Y400 WeakPolarHBondContact OD1-CD2 3.4Å; N398-Y400 PolarHBondContact OD1-N 3.28Å |
| 399 | N | 91 | Very high | 80.2 | Confident | 144 Ų | 144 | 129.2 Ų | 129.2 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | trans | -128.3 | 17.2 | 176.3 | -67.1 | -92 | 0 | 0 | 0 | 111.9 | K397 | K397-N399 PolarHBondContact O-N 3.23Å; K397-N399 PolarHBondContact O-ND2 3.38Å | ||
| 400 | Y | 89.2 | Confident | 78.3 | Confident | 189 Ų | 189 | 127.7 Ų | 127.7 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | trans | -71.5 | 135.8 | 175.2 | -68.4 | -67.8 | 0 | 0 | 0 | 110.8 | N398 S402 | N398-Y400 VanDerWaalsContact OD1-CD2 3.29Å; N398-Y400 WeakPolarHBondContact OD1-CD2 3.4Å; N398-Y400 PolarHBondContact OD1-N 3.28Å; Y400-S402 PolarHBondContact O-N 2.9Å | ||
| 401 | S | 83.2 | Confident | 76.5 | Confident | 104 Ų | 104 | 129 Ų | 129 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | -73.4 | 120.6 | -178.8 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | R403 | S401-R403 PolarHBondContact O-N 3.41Š| ||
| 402 | S | 75.3 | Confident | 74.6 | Confident | 124 Ų | 124 | 132.6 Ų | 132.6 | 87% | 0.867 | 72% | 0.723 | S | S | * | * | trans | -70.7 | 69.5 | 173.7 | -53.1 | 0 | 0 | 0 | 0 | 112.1 | Y400 | Y400-S402 PolarHBondContact O-N 2.9Š| ||
| 403 | R | 75.8 | Confident | 72.5 | Confident | 220 Ų | 220 | 131.2 Ų | 131.2 | 83% | 0.83 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 136 | 167 | -81.5 | -174.3 | 168.8 | -92.1 | -1 | 110 | S401 | S401-R403 PolarHBondContact O-N 3.41Š|
| 404 | T | 69.9 | Low | 70.2 | Confident | 130 Ų | 130 | 131.4 Ų | 131.4 | 80% | 0.798 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 129.9 | 173.7 | -40.7 | 0 | 0 | 0 | 0 | 110.6 | ||
| 405 | P | 60.3 | Low | 67.8 | Low | 105 Ų | 105 | 129.2 Ų | 129.2 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 145.5 | 175.9 | -24.6 | 34.4 | 0 | 0 | 0 | 112.3 | S407 | P405-S407 PolarHBondContact O-N 2.9Š|
| 406 | C | 53.5 | Low | 65.5 | Low | 98 Ų | 98 | 130.9 Ų | 130.9 | 66% | 0.662 | 73% | 0.725 | S | S | * | * | trans | -72.9 | 76.1 | 170.7 | -66.7 | 0 | 0 | 0 | 0 | 110.8 | S408 L409 | C406-S408 PolarHBondContact O-N 2.91Å; C406-S408 VanDerWaalsContact O-N 3.17Å; C406-L409 PolarHBondContact O-N 3.09Å | ||
| 407 | S | 51.4 | Low | 63 | Low | 87 Ų | 87 | 129 Ų | 129 | 61% | 0.608 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -59.6 | -22.1 | -180 | 50.5 | 0 | 0 | 0 | 0 | 114 | P405 L409 L410 | P405-S407 PolarHBondContact O-N 2.9Å; S407-L409 PolarHBondContact O-N 3.34Å; S407-L409 VanDerWaalsContact O-N 3.17Å; S407-L410 PolarHBondContact O-N 2.95Å |
| 408 | S | 52.5 | Low | 60.4 | Low | 97 Ų | 97 | 124.7 Ų | 124.7 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -64.9 | -12.2 | 179.2 | 52.6 | 0 | 0 | 0 | 0 | 115.6 | C406 | C406-S408 PolarHBondContact O-N 2.91Å; C406-S408 VanDerWaalsContact O-N 3.17Å |
| 409 | L | 53 | Low | 57.7 | Low | 118 Ų | 118 | 125.2 Ų | 125.2 | 62% | 0.618 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -96.9 | -11.9 | 179.4 | -63.7 | 179.2 | 0 | 0 | 0 | 114.3 | C406 S407 P411 L412 | C406-L409 PolarHBondContact O-N 3.09Å; S407-L409 PolarHBondContact O-N 3.34Å; S407-L409 VanDerWaalsContact O-N 3.17Å; L409-P411 VanDerWaalsContact C-CD 3.46Å; L409-L412 PolarHBondContact O-N 3.4Å |
| 410 | L | 54.4 | Low | 54.9 | Low | 117 Ų | 117 | 124.4 Ų | 124.4 | 61% | 0.613 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -61.1 | -37.3 | -178.9 | -63.7 | 175.9 | 0 | 0 | 0 | 114.6 | S407 L412 L413 | S407-L410 PolarHBondContact O-N 2.95Å; L410-L412 PolarHBondContact O-N 3.01Å; L410-L412 VanDerWaalsContact O-N 3.16Å; L410-L413 PolarHBondContact O-N 2.83Å |
| 411 | P | 54.6 | Low | 52.1 | Low | 96 Ų | 96 | 118.4 Ų | 118.4 | 62% | 0.623 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -60.3 | -27.3 | 179.8 | -26.1 | 36.1 | 0 | 0 | 0 | 114.4 | L409 L413 | L409-P411 VanDerWaalsContact C-CD 3.46Å; P411-L413 VanDerWaalsContact C-N 3.31Å; P411-L413 PolarHBondContact O-N 3.29Å |
| 412 | L | 51.7 | Low | 49.7 | Very low | 146 Ų | 146 | 122.3 Ų | 122.3 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -76.9 | -16.5 | -172.4 | -153.7 | 71.4 | 0 | 0 | 0 | 113.6 | L409 L410 | L409-L412 PolarHBondContact O-N 3.4Å; L410-L412 PolarHBondContact O-N 3.01Å; L410-L412 VanDerWaalsContact O-N 3.16Å |
| 413 | L | 50.7 | Low | 47.6 | Very low | 144 Ų | 144 | 124.5 Ų | 124.5 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -21.5 | 178.3 | -75 | 163.8 | 0 | 0 | 0 | 113.3 | L410 P411 | L410-L413 PolarHBondContact O-N 2.83Å; P411-L413 VanDerWaalsContact C-N 3.31Å; P411-L413 PolarHBondContact O-N 3.29Å |
| 414 | N | 48 | Very low | 45.3 | Very low | 130 Ų | 130 | 119.3 Ų | 119.3 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -90.8 | -3.3 | -175.5 | -78.4 | 31.4 | 0 | 0 | 0 | 114.2 | H416 A417 | N414-H416 PolarHBondContact O-N 3.17Å; N414-A417 PolarHBondContact O-N 2.82Å |
| 415 | A | 43.4 | Very low | 43.4 | Very low | 73 Ų | 73 | 120 Ų | 120 | 60% | 0.603 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 3.7 | -173 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 416 | H | 43 | Very low | 42 | Very low | 184 Ų | 184 | 125.1 Ų | 125.1 | 85% | 0.852 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.6 | 8.7 | -178.2 | -65.3 | -47.1 | 0 | 0 | 0 | 114.8 | N414 | N414-H416 PolarHBondContact O-N 3.17Š|
| 417 | A | 40.9 | Very low | 40.9 | Very low | 92 Ų | 92 | 125.8 Ų | 125.8 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | trans | -124.1 | 71.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N414 | N414-A417 PolarHBondContact O-N 2.82Š| ||
| 418 | A | 36.8 | Very low | 39.8 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | trans | -144.9 | 56.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 419 | T | 33.6 | Very low | 38.8 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -138.6 | 144.3 | 158.4 | 78.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 420 | S | 32.3 | Very low | 37.6 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | 63.9 | 143 | 175.6 | -148.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 421 | G | 28.9 | Very low | 36.3 | Very low | 63 Ų | 63 | 137.7 Ų | 137.7 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | cis | 161.6 | 107.4 | -10.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 422 | K | 33.4 | Very low | 35 | Very low | 186 Ų | 186 | 139.2 Ų | 139.2 | 81% | 0.809 | 79% | 0.79 | S | S | * | * | trans | 61.5 | 123.7 | 158.7 | -68.2 | -177 | 175.2 | -177.4 | 0 | 120.8 | ||||
| 423 | Q | 32 | Very low | 33.9 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | 54.1 | 121.3 | 127 | -58.4 | 173 | -54 | 0 | 0 | 120.6 | |||||
| 424 | S | 27.3 | Very low | 32.9 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | -165.7 | 152.2 | 101.8 | -164.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 425 | N | 28.8 | Very low | 32.3 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -101.4 | 149.2 | 170.3 | -66.4 | -53.4 | 0 | 0 | 0 | 109.6 | ||||
| 426 | F | 31.5 | Very low | 32.1 | Very low | 212 Ų | 212 | 144 Ų | 144 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | trans | -156.9 | 152 | 140.2 | -99 | -61.6 | 0 | 0 | 0 | 111.6 | ||||
| 427 | S | 30.6 | Very low | 31.5 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -126.7 | 150 | -175.7 | -45.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 428 | R | 28.3 | Very low | 31 | Very low | 249 Ų | 249 | 144.4 Ų | 144.4 | 94% | 0.94 | 80% | 0.796 | S | S | * | * | trans | -152.3 | 152.7 | 157.2 | -155.5 | 158.5 | -71.4 | -142 | 1.7 | 111.2 | ||||
| 429 | K | 31.1 | Very low | 30.8 | Very low | 204 Ų | 204 | 143.4 Ų | 143.4 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -122.1 | 146.3 | -173.9 | -61.6 | 175.2 | 177.5 | 177.5 | 0 | 111.8 | ||||
| 430 | S | 28.4 | Very low | 30.8 | Very low | 113 Ų | 113 | 147.3 Ų | 147.3 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -171.2 | 130 | 143.4 | 41.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 431 | S | 27.5 | Very low | 30.7 | Very low | 104 Ų | 104 | 146 Ų | 146 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | 73.4 | 133.8 | 64.6 | -147.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 432 | T | 26.6 | Very low | 30.7 | Very low | 128 Ų | 128 | 148 Ų | 148 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | cis | -151.8 | 170.1 | 21.3 | -39.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 433 | H | 28.3 | Very low | 30.5 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 69% | 0.694 | 81% | 0.808 | S | S | * | * | trans | -28.9 | 152.3 | 167 | -127.9 | -124.1 | 0 | 0 | 0 | 117.4 | ||||
| 434 | N | 29.4 | Very low | 31.3 | Very low | 151 Ų | 151 | 144 Ų | 144 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | -160.4 | 164.9 | 71.6 | -91.1 | -49.8 | 0 | 0 | 0 | 116.5 | |||||
| 435 | K | 36.2 | Very low | 31.4 | Very low | 175 Ų | 175 | 148 Ų | 148 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | trans | -125.3 | 156.5 | 174.2 | -109.1 | -173.2 | 179.4 | -173.5 | 0 | 109.4 | ||||
| 436 | P | 38.4 | Very low | 31.5 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | -147.4 | -177.6 | 82.5 | 45.7 | -28.5 | 0 | 0 | 0 | 113.2 | |||||
| 437 | S | 31.2 | Very low | 31.4 | Very low | 88 Ų | 88 | 144.6 Ų | 144.6 | 62% | 0.615 | 80% | 0.803 | S | S | * | * | cis | 82.6 | 135.8 | 6.9 | 69.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 438 | E | 31.1 | Very low | 31.1 | Very low | 196 Ų | 196 | 144.1 Ų | 144.1 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | cis | -168.7 | 162.8 | -12.1 | -127.1 | -170.5 | 130 | 0 | 0 | 111.7 | ||||
| 439 | G | 31 | Very low | 31 | Very low | 74 Ų | 74 | 137.8 Ų | 137.8 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | 79.2 | 173.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 440 | K | 34.8 | Very low | 30.9 | Very low | 218 Ų | 218 | 135.5 Ų | 135.5 | 95% | 0.948 | 79% | 0.79 | S | S | * | * | cis | -160.1 | 165.9 | -19.4 | -151.7 | 171 | -178.9 | 175.9 | 0 | 111.4 | ||||
| 441 | A | 30.4 | Very low | 31.6 | Very low | 100 Ų | 100 | 135.6 Ų | 135.6 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | -77.3 | 166.5 | -167.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 442 | A | 28.5 | Very low | 31.5 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 88% | 0.876 | 79% | 0.786 | S | S | * | * | trans | -159.1 | 156.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 443 | N | 29.3 | Very low | 31.4 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -166.7 | 135.6 | 176.6 | 177.1 | -1.8 | 0 | 0 | 0 | 110.9 | ||||
| 444 | P | 48.4 | Very low | 31.4 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -126 | 167.4 | 164.3 | 37 | -22.3 | 0 | 0 | 0 | 117 | ||||
| 445 | K | 30.5 | Very low | 31.2 | Very low | 197 Ų | 197 | 133.6 Ų | 133.6 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -70.7 | -175.8 | -175.5 | -53.3 | 167.5 | 179.4 | 172.4 | 0 | 112.9 | ||||
| 446 | M | 30.9 | Very low | 31.4 | Very low | 158 Ų | 158 | 130.7 Ų | 130.7 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | cis | -176 | 165 | 27.6 | -156.4 | 177.1 | 165.3 | 0 | 0 | 112.7 | ||||
| 447 | V | 27.8 | Very low | 30.8 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | 67.7 | 154.8 | 148.1 | 138.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 448 | S | 24.8 | Very low | 30.8 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | cis | -170.6 | -179.4 | -26.5 | -167.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 449 | S | 25.9 | Very low | 30.7 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 104.3 | 144.8 | 158.1 | 79.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 450 | L | 29.8 | Very low | 30.5 | Very low | 157 Ų | 157 | 131.6 Ų | 131.6 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -141.2 | 152.3 | 173.6 | -145.9 | 84.5 | 0 | 0 | 0 | 106.6 | ||||
| 451 | P | 42 | Very low | 30.3 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | -145 | 152.9 | 101.1 | 33.4 | -14.8 | 0 | 0 | 0 | 113.4 | |||||
| 452 | S | 25.5 | Very low | 31.1 | Very low | 100 Ų | 100 | 130 Ų | 130 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | 52.5 | 141.4 | 96.3 | -38.2 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 453 | T | 25.1 | Very low | 31.1 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | cis | -108.7 | -149.5 | 11 | 48.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 454 | T | 28.3 | Very low | 31 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | cis | -157.6 | 169.5 | 8 | -21.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 455 | D | 24.8 | Very low | 30.3 | Very low | 138 Ų | 138 | 129.8 Ų | 129.8 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | trans | -119 | 174.4 | 169.6 | -145.7 | -0 | 0 | 0 | 0 | 107.4 | S457 | D455-S457 PolarHBondContact OD1-N 3.07Š| ||
| 456 | P | 40.1 | Very low | 30.5 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | cis | -143.4 | 149.3 | 46 | 43.4 | -23.4 | 0 | 0 | 0 | 118.5 | ||||
| 457 | S | 25.7 | Very low | 30.4 | Very low | 75 Ų | 75 | 128.3 Ų | 128.3 | 52% | 0.524 | 75% | 0.745 | S | S | . | * | 121.3 | 148.2 | 113.8 | -136.4 | 0 | 0 | 0 | 0 | 121.9 | D455 | D455-S457 PolarHBondContact OD1-N 3.07Š| |||
| 458 | H | 32.6 | Very low | 30.5 | Very low | 152 Ų | 152 | 125.1 Ų | 125.1 | 70% | 0.704 | 74% | 0.737 | S | S | * | * | trans | 72.4 | 106.7 | 156.4 | -58.8 | -52.4 | 0 | 0 | 0 | 122.4 | ||||
| 459 | Q | 28.6 | Very low | 30.8 | Very low | 179 Ų | 179 | 126.1 Ų | 126.1 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | 58.6 | 140.6 | 121.2 | -67 | -177.2 | 13.4 | 0 | 0 | 120.9 | |||||
| 460 | A | 26.4 | Very low | 31 | Very low | 88 Ų | 88 | 125.5 Ų | 125.5 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | cis | -158.6 | 159.4 | -8.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 461 | M | 31.3 | Very low | 31.2 | Very low | 168 Ų | 168 | 125.7 Ų | 125.7 | 83% | 0.828 | 74% | 0.742 | S | S | * | * | trans | -83.9 | 167.3 | 162.7 | -72.6 | -61.9 | -73.1 | 0 | 0 | 109.1 | ||||
| 462 | P | 46.4 | Very low | 31.1 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | cis | -156.5 | -179 | 37.9 | 45.3 | -23.8 | 0 | 0 | 0 | 120.6 | ||||
| 463 | A | 29.9 | Very low | 31.6 | Very low | 82 Ų | 82 | 135.6 Ų | 135.6 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | 73.5 | 160.6 | 151.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 464 | N | 27.2 | Very low | 32.3 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | cis | -145.3 | 176.1 | 9.2 | -157.2 | 9.2 | 0 | 0 | 0 | 113.8 | ||||
| 465 | K | 32.2 | Very low | 32.6 | Very low | 165 Ų | 165 | 146 Ų | 146 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | -43.7 | 162.9 | 170.2 | -58.1 | 148.3 | -164.3 | 173.5 | 0 | 113.6 | ||||
| 466 | Q | 34.6 | Very low | 33 | Very low | 164 Ų | 164 | 149 Ų | 149 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | cis | -146.7 | 151.2 | 30 | -115.4 | 117 | -27 | 0 | 0 | 110.1 | ||||
| 467 | N | 29.7 | Very low | 32.4 | Very low | 160 Ų | 160 | 150.4 Ų | 150.4 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | 45.9 | 128.7 | 86.6 | -157.5 | 43.1 | 0 | 0 | 0 | 115.2 | |||||
| 468 | G | 29.1 | Very low | 33.2 | Very low | 58 Ų | 58 | 151.4 Ų | 151.4 | 60% | 0.598 | 78% | 0.78 | S | S | * | * | cis | 156.8 | 146.2 | -5.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 469 | S | 31.2 | Very low | 33.2 | Very low | 124 Ų | 124 | 152.8 Ų | 152.8 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | 64.7 | 124 | 170.9 | -163.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 470 | S | 31.5 | Very low | 33.3 | Very low | 102 Ų | 102 | 155.1 Ų | 155.1 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | -178.5 | 137.3 | 105.8 | -171.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 471 | N | 32.9 | Very low | 33.8 | Very low | 160 Ų | 160 | 159.1 Ų | 159.1 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -106.6 | 133.1 | 171.9 | -85.3 | -74.9 | 0 | 0 | 0 | 110.2 | ||||
| 472 | Q | 40.7 | Very low | 33.7 | Very low | 181 Ų | 181 | 158 Ų | 158 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -133.8 | 143 | 156.8 | -76.9 | -150.5 | 21.3 | 0 | 0 | 112.6 | ||||
| 473 | R | 36 | Very low | 33.1 | Very low | 241 Ų | 241 | 159.5 Ų | 159.5 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -138.7 | 108.8 | -167.9 | 177 | -171.1 | -173.2 | -121.6 | 6.6 | 109.8 | ||||
| 474 | R | 39.9 | Very low | 33.1 | Very low | 230 Ų | 230 | 167 Ų | 167 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | -138.5 | 100.1 | 171 | -74.8 | -160.7 | -176.1 | -143.1 | 4.4 | 114.6 | ||||
| 475 | R | 33.5 | Very low | 33.4 | Very low | 244 Ų | 244 | 169.4 Ų | 169.4 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | 58 | 144.3 | 137.2 | -61.7 | -169.9 | 174.8 | -148.8 | -1.4 | 121.5 | ||||
| 476 | F | 33.7 | Very low | 33.3 | Very low | 200 Ų | 200 | 169.4 Ų | 169.4 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | trans | -71.7 | 152.4 | 173.3 | -81.6 | -122.5 | 0 | 0 | 0 | 113.2 | ||||
| 477 | N | 27.2 | Very low | 33 | Very low | 144 Ų | 144 | 165.1 Ų | 165.1 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | -158.4 | 141.2 | 110.9 | -157.6 | 53.4 | 0 | 0 | 0 | 110.8 | |||||
| 478 | P | 42.5 | Very low | 33.6 | Very low | 96 Ų | 96 | 164 Ų | 164 | 62% | 0.623 | 82% | 0.823 | S | S | * | * | trans | -94.1 | 143.9 | 178.9 | 35.4 | -31.3 | 0 | 0 | 0 | 112.4 | ||||
| 479 | Q | 32.1 | Very low | 33.6 | Very low | 180 Ų | 180 | 166.1 Ų | 166.1 | 84% | 0.841 | 84% | 0.836 | S | S | * | * | trans | -128.5 | 121.8 | 175.6 | -163.8 | 76.7 | -20.8 | 0 | 0 | 110.1 | ||||
| 480 | Y | 32 | Very low | 33.8 | Very low | 229 Ų | 229 | 170.2 Ų | 170.2 | 90% | 0.898 | 84% | 0.838 | S | S | * | * | trans | -73.4 | 136.2 | 175 | -89.8 | -100.2 | 0 | 0 | 0 | 111.1 | ||||
| 481 | H | 36.8 | Very low | 33.8 | Very low | 172 Ų | 172 | 170.1 Ų | 170.1 | 80% | 0.796 | 84% | 0.837 | S | S | * | * | trans | -139.5 | 142.7 | 152.8 | -152.2 | 66.9 | 0 | 0 | 0 | 110.3 | ||||
| 482 | N | 29.6 | Very low | 33.8 | Very low | 144 Ų | 144 | 171.9 Ų | 171.9 | 77% | 0.77 | 84% | 0.84 | S | S | * | * | trans | -74.5 | 152.5 | 168.5 | -78.8 | -87.2 | 0 | 0 | 0 | 108.9 | ||||
| 483 | N | 32.4 | Very low | 33.1 | Very low | 147 Ų | 147 | 167 Ų | 167 | 79% | 0.786 | 84% | 0.838 | S | S | * | * | -163.9 | 157.2 | 125.8 | -103.9 | -28.1 | 0 | 0 | 0 | 113.1 | |||||
| 484 | R | 31.1 | Very low | 32.8 | Very low | 240 Ų | 240 | 161.8 Ų | 161.8 | 91% | 0.906 | 84% | 0.839 | S | S | * | * | trans | -70.7 | 145.2 | 168.9 | -62.8 | 175.2 | 173.5 | -142.8 | -0.8 | 109.5 | ||||
| 485 | L | 32.2 | Very low | 32.3 | Very low | 176 Ų | 176 | 154.1 Ų | 154.1 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | trans | -110.9 | 129.6 | 161.6 | -80.3 | 164.3 | 0 | 0 | 0 | 108.9 | ||||
| 486 | N | 30.6 | Very low | 32.1 | Very low | 166 Ų | 166 | 149.9 Ų | 149.9 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | -157.8 | 110.8 | 172.2 | -151.8 | 26.9 | 0 | 0 | 0 | 109.4 | ||||
| 487 | G | 28.8 | Very low | 32 | Very low | 73 Ų | 73 | 149.3 Ų | 149.3 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | trans | 83.4 | 121.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 488 | P | 41.2 | Very low | 32.3 | Very low | 136 Ų | 136 | 147.2 Ų | 147.2 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | trans | -90.1 | 151.7 | 167.5 | 35 | -32.3 | 0 | 0 | 0 | 112.5 | ||||
| 489 | A | 29.2 | Very low | 32.1 | Very low | 104 Ų | 104 | 150 Ų | 150 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | trans | -129 | 164.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 490 | K | 36.5 | Very low | 33.1 | Very low | 209 Ų | 209 | 146.6 Ų | 146.6 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | trans | -87.1 | 151.1 | -171.4 | -57.3 | 177.7 | 179.9 | -179.2 | 0 | 114 | ||||
| 491 | S | 31.8 | Very low | 33.1 | Very low | 100 Ų | 100 | 144.1 Ų | 144.1 | 70% | 0.699 | 83% | 0.834 | S | S | * | * | trans | -152.6 | 128.9 | 150.5 | 38.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 492 | Q | 32.1 | Very low | 32.9 | Very low | 197 Ų | 197 | 139.2 Ų | 139.2 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | 58.9 | 134.5 | 89.9 | -62.1 | 177.7 | -89.3 | 0 | 0 | 113.8 | |||||
| 493 | G | 26.6 | Very low | 33 | Very low | 78 Ų | 78 | 142.9 Ų | 142.9 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | cis | -163.7 | -154.2 | -2.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 494 | S | 28.6 | Very low | 32.8 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 92% | 0.923 | 84% | 0.84 | S | S | * | * | cis | -168.4 | 148.3 | -10.5 | -170 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 495 | G | 30.1 | Very low | 32.6 | Very low | 69 Ų | 69 | 135.3 Ų | 135.3 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | trans | 163.9 | 133 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 496 | N | 29.6 | Very low | 32.6 | Very low | 156 Ų | 156 | 133.5 Ų | 133.5 | 83% | 0.834 | 83% | 0.827 | S | S | * | * | trans | -96.1 | 174.7 | 177.5 | -56 | -19.6 | 0 | 0 | 0 | 109.6 | ||||
| 497 | E | 31.1 | Very low | 32.6 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | cis | -155.1 | -172.6 | 19.1 | -152.2 | -178.1 | 142 | 0 | 0 | 111.1 | ||||
| 498 | A | 33 | Very low | 32.7 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | trans | 91.6 | 125.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 499 | D | 39.7 | Very low | 32.2 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | -103.3 | -179.8 | 178.4 | -124.3 | -30.8 | 0 | 0 | 0 | 109.4 | ||||
| 500 | P | 52.2 | Low | 32.4 | Very low | 108 Ų | 108 | 144 Ų | 144 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | cis | -134.1 | 176 | -15.5 | 39.9 | -23.8 | 0 | 0 | 0 | 114.9 | ||||
| 501 | L | 32.4 | Very low | 32.1 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | 155.6 | 139 | 127.3 | -175.8 | 63.2 | 0 | 0 | 0 | 113 | |||||
| 502 | G | 32.3 | Very low | 32.2 | Very low | 70 Ų | 70 | 149.5 Ų | 149.5 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | 110.2 | 98.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 503 | K | 31.4 | Very low | 32.2 | Very low | 221 Ų | 221 | 148.5 Ų | 148.5 | 96% | 0.961 | 81% | 0.806 | S | S | * | * | trans | -77.5 | 145.2 | 174.2 | -72 | 173.4 | 176.7 | 170.6 | 0 | 112.4 | ||||
| 504 | G | 27.6 | Very low | 33.3 | Very low | 77 Ų | 77 | 149.4 Ų | 149.4 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | -165.8 | 107.7 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 505 | N | 28.3 | Very low | 33.4 | Very low | 151 Ų | 151 | 150.6 Ų | 150.6 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -148.7 | 89.7 | -171.4 | -156.6 | 13.7 | 0 | 0 | 0 | 115.1 | ||||
| 506 | N | 30.7 | Very low | 33.4 | Very low | 137 Ų | 137 | 154.6 Ų | 154.6 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | 59.5 | 157.3 | 129.9 | -150 | -3.4 | 0 | 0 | 0 | 122.4 | |||||
| 507 | R | 30.8 | Very low | 33.4 | Very low | 228 Ų | 228 | 150.5 Ų | 150.5 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | 82.4 | 152.4 | 171.6 | -55.8 | 177.3 | 178.8 | -177.7 | -0.1 | 117.9 | ||||
| 508 | H | 32 | Very low | 33.4 | Very low | 163 Ų | 163 | 151.6 Ų | 151.6 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | cis | -163.5 | 162.2 | -39.1 | -148.9 | 49.6 | 0 | 0 | 0 | 110.3 | ||||
| 509 | E | 29.4 | Very low | 33.7 | Very low | 145 Ų | 145 | 155.8 Ų | 155.8 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | 10.2 | 138.9 | 169.7 | -66.2 | -173.9 | 119.1 | 0 | 0 | 123.5 | ||||
| 510 | H | 33.3 | Very low | 33.7 | Very low | 165 Ų | 165 | 154.2 Ų | 154.2 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | -176.4 | 118.2 | 112 | -99.2 | 27.9 | 0 | 0 | 0 | 116.4 | |||||
| 511 | R | 31.6 | Very low | 32.8 | Very low | 206 Ų | 206 | 157.2 Ų | 157.2 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | 57.5 | 96.7 | 128.6 | -155.7 | 175.9 | -168.6 | 134.3 | -2.9 | 124 | |||||
| 512 | R | 33.5 | Very low | 32.8 | Very low | 217 Ų | 217 | 155.4 Ų | 155.4 | 82% | 0.819 | 78% | 0.776 | S | S | * | * | trans | 74.9 | 121 | 137.9 | -61.5 | 177.7 | -177.4 | -121.6 | -2.5 | 122.9 | ||||
| 513 | Q | 32.5 | Very low | 33 | Very low | 176 Ų | 176 | 161.6 Ų | 161.6 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | 37.5 | 153.1 | 123 | -68.9 | -83.8 | 9.3 | 0 | 0 | 121.6 | |||||
| 514 | P | 48.3 | Very low | 33 | Very low | 97 Ų | 97 | 154.9 Ų | 154.9 | 63% | 0.63 | 78% | 0.777 | S | S | * | * | cis | -140.5 | -171.6 | 0.2 | 35.1 | -11.6 | 0 | 0 | 0 | 117.4 | ||||
| 515 | H | 32.2 | Very low | 33.3 | Very low | 157 Ų | 157 | 155.1 Ų | 155.1 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 81.8 | 129.7 | 153.9 | -84 | -62.7 | 0 | 0 | 0 | 124.4 | ||||
| 516 | N | 29 | Very low | 33.6 | Very low | 153 Ų | 153 | 152.7 Ų | 152.7 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | 54.9 | 149.8 | 145.2 | -58.2 | 5.4 | 0 | 0 | 0 | 120.4 | ||||
| 517 | G | 29.9 | Very low | 33.8 | Very low | 70 Ų | 70 | 152 Ų | 152 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | cis | -160.5 | -155.3 | 8.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 518 | F | 30.7 | Very low | 33.9 | Very low | 211 Ų | 211 | 145 Ų | 145 | 93% | 0.925 | 75% | 0.751 | S | S | * | * | trans | -87 | 153.1 | -159.6 | -100.2 | -113.6 | 0 | 0 | 0 | 117.7 | ||||
| 519 | R | 39.9 | Very low | 33.8 | Very low | 188 Ų | 188 | 145.8 Ų | 145.8 | 71% | 0.709 | 75% | 0.754 | S | S | * | * | trans | -51.4 | 142.3 | 162.3 | 174.4 | -145.8 | -157.6 | -154.8 | 24.3 | 114.7 | ||||
| 520 | P | 38.8 | Very low | 33.8 | Very low | 123 Ų | 123 | 147 Ų | 147 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | trans | -105.7 | 152.4 | 149.1 | 33.2 | -24.6 | 0 | 0 | 0 | 112.8 | ||||
| 521 | K | 34.6 | Very low | 33.8 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 74% | 0.739 | 75% | 0.754 | S | S | * | * | trans | -130.6 | 146.5 | 168.5 | -164.6 | -178.5 | -178.6 | -171.9 | 0 | 108.9 | ||||
| 522 | N | 31.8 | Very low | 33.7 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | trans | -52.6 | 146.2 | -169.9 | -79 | -52.4 | 0 | 0 | 0 | 117.9 | ||||
| 523 | K | 36.9 | Very low | 33.6 | Very low | 199 Ų | 199 | 135.7 Ų | 135.7 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | trans | 64.5 | 141.1 | 154.4 | -61.6 | 167.1 | -177.3 | -171.5 | 0 | 115.6 | ||||
| 524 | G | 31.6 | Very low | 33.4 | Very low | 80 Ų | 80 | 130.4 Ų | 130.4 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | cis | 99 | 132.1 | 16.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 525 | G | 34.4 | Very low | 32.5 | Very low | 82 Ų | 82 | 133.7 Ų | 133.7 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | cis | 148.6 | 116.5 | -3.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 526 | A | 33.1 | Very low | 32.4 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | trans | -154.6 | 155.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 527 | K | 35.9 | Very low | 32.6 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 53% | 0.53 | 76% | 0.758 | S | S | . | * | trans | -151.4 | 137.1 | -170.3 | -77.6 | 172.6 | 159.8 | -175.4 | 0 | 112.6 | S154 S155 S156 | S154-K527 VanDerWaalsContact O-CD 3.24Å; S154-K527 WeakPolarHBondContact O-CD 3.25Å; S154-K527 WeakPolarHBondContact O-CE 3.21Å; S154-K527 PolarHBondContact O-NZ 2.71Å; S155-K527 CarbonylContact C-O 3.58Å; S155-K527 WeakPolarHBondContact O-CB 3.11Å; S155-K527 WeakPolarHBondContact O-CD 3.12Å; S156-K527 CarbonylContact C-O 3.56Å; S156-K527 VanDerWaalsContact CA-O 3.29Å; S156-K527 WeakPolarHBondContact CA-O 3.27Å; S156-K527 PolarHBondContact N-O 3.2Å | ||
| 528 | N | 32.7 | Very low | 33.2 | Very low | 81 Ų | 81 | 135.3 Ų | 135.3 | 43% | 0.433 | 76% | 0.757 | S | S | . | * | trans | -166.1 | 156.6 | 145.9 | -88.5 | 119.2 | 0 | 0 | 0 | 106.4 | S155 S156 T157 | S155-N528 PolarHBondContact OG-ND2 2.71Å; S156-N528 WeakPolarHBondContact CA-OD1 3.27Å; T157-N528 WeakPolarHBondContact CG2-OD1 3.47Å | ||
| 529 | Q | 29.6 | Very low | 33 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | cis | -134.8 | -150.4 | 37.1 | -139.3 | 169.8 | 24.6 | 0 | 0 | 113.1 | ||||
| 530 | E | 30.6 | Very low | 32.7 | Very low | 170 Ų | 170 | 129.7 Ų | 129.7 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | -104.8 | 167.9 | -153.4 | -156.7 | 159 | 111.9 | 0 | 0 | 115.2 | ||||
| 531 | A | 31.9 | Very low | 32.7 | Very low | 76 Ų | 76 | 129 Ų | 129 | 63% | 0.628 | 75% | 0.753 | S | S | * | * | trans | -67.2 | 168.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 532 | S | 29.2 | Very low | 32.5 | Very low | 103 Ų | 103 | 124.6 Ų | 124.6 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | cis | -174.8 | -169.4 | -22.7 | -177.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 533 | L | 32 | Very low | 32.4 | Very low | 172 Ų | 172 | 126.1 Ų | 126.1 | 90% | 0.901 | 75% | 0.75 | S | S | * | * | trans | 72.3 | 142.1 | 176.4 | -42.8 | 174.7 | 0 | 0 | 0 | 115.2 | ||||
| 534 | G | 28.9 | Very low | 32 | Very low | 66 Ų | 66 | 122 Ų | 122 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | cis | 166.8 | 138.7 | -13.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 535 | M | 29.8 | Very low | 31.7 | Very low | 166 Ų | 166 | 125.3 Ų | 125.3 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | 75.2 | 145.7 | 155 | -53.5 | -163.8 | 84.9 | 0 | 0 | 122 | ||||
| 536 | K | 30.1 | Very low | 31.7 | Very low | 177 Ų | 177 | 129.8 Ų | 129.8 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | 77.5 | 98.1 | 149.7 | -71.5 | 157.4 | -175.2 | -179.8 | 0 | 120.9 | ||||
| 537 | T | 32 | Very low | 32.1 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | -55.6 | 157.7 | 126.5 | 7.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 538 | P | 43.3 | Very low | 31.9 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 69% | 0.688 | 75% | 0.749 | S | S | * | * | -151.6 | -167.9 | 68.8 | 44.3 | -24.6 | 0 | 0 | 0 | 117.2 | |||||
| 539 | E | 26.3 | Very low | 31.9 | Very low | 185 Ų | 185 | 141.5 Ų | 141.5 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | 80 | 148 | 158 | -83.1 | -174.2 | 93.2 | 0 | 0 | 122.1 | ||||
| 540 | A | 32.4 | Very low | 31.8 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | trans | -158.2 | 128.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 541 | P | 40.3 | Very low | 31.9 | Very low | 108 Ų | 108 | 142.1 Ų | 142.1 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | -125 | 142.4 | 139.2 | 17.5 | 1.6 | 0 | 0 | 0 | 109.9 | ||||
| 542 | A | 30.4 | Very low | 31.8 | Very low | 77 Ų | 77 | 146.8 Ų | 146.8 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | cis | 102.6 | 144 | 36.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 543 | H | 28.6 | Very low | 31.8 | Very low | 171 Ų | 171 | 146.7 Ų | 146.7 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | trans | 55.1 | 109.8 | 162 | 45.2 | -115.7 | 0 | 0 | 0 | 123.8 | ||||
| 544 | S | 28.3 | Very low | 31.9 | Very low | 112 Ų | 112 | 143 Ų | 143 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | -175.2 | 127.4 | 129.4 | 21.4 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 545 | E | 25.7 | Very low | 32 | Very low | 150 Ų | 150 | 147.1 Ų | 147.1 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | 64.4 | 136.8 | 80.2 | -67.1 | -147.2 | 120.7 | 0 | 0 | 115.6 | |||||
| 546 | K | 33.8 | Very low | 32 | Very low | 177 Ų | 177 | 146 Ų | 146 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | cis | -161.7 | -172.6 | -10.7 | -115.9 | -171.6 | -175.7 | 146 | 0 | 109.3 | ||||
| 547 | P | 43.2 | Very low | 32.2 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | trans | -115.1 | 167.9 | -159.8 | 42.8 | -37.2 | 0 | 0 | 0 | 117 | ||||
| 548 | R | 30.5 | Very low | 32.3 | Very low | 239 Ų | 239 | 145.1 Ų | 145.1 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | 167.9 | 126.9 | 130.8 | -97.9 | 172.4 | 169.4 | 174.2 | -3.4 | 115.6 | ||||
| 549 | R | 32 | Very low | 31.9 | Very low | 202 Ų | 202 | 144.2 Ų | 144.2 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | 23.4 | 124.1 | 126 | -178.6 | -176.5 | 178.8 | 171.6 | 1 | 119.4 | |||||
| 550 | R | 29.4 | Very low | 32.5 | Very low | 249 Ų | 249 | 146.8 Ų | 146.8 | 94% | 0.94 | 78% | 0.782 | S | S | * | * | trans | -139.8 | 171.2 | 145.1 | -108 | -173.7 | -179.4 | -155.9 | -0.5 | 112 | ||||
| 551 | Q | 31.1 | Very low | 33.8 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 53% | 0.528 | 77% | 0.774 | S | S | . | * | trans | -133.6 | 178 | -171.7 | -69.8 | 169.3 | -117.6 | 0 | 0 | 109.8 | ||||
| 552 | H | 29.6 | Very low | 33.4 | Very low | 174 Ų | 174 | 151 Ų | 151 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | 77.5 | 151.9 | 169.4 | -49.5 | -75.2 | 0 | 0 | 0 | 115.6 | ||||
| 553 | A | 29.6 | Very low | 33.8 | Very low | 100 Ų | 100 | 158 Ų | 158 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | cis | -160.9 | -173.8 | -20.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 554 | A | 34 | Very low | 33.9 | Very low | 95 Ų | 95 | 153.2 Ų | 153.2 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -124.3 | 158.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 555 | D | 32.7 | Very low | 34.1 | Very low | 153 Ų | 153 | 153 Ų | 153 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -147.5 | 162.2 | 146.8 | -110.2 | -44.8 | 0 | 0 | 0 | 106.1 | ||||
| 556 | T | 29 | Very low | 34.6 | Very low | 141 Ų | 141 | 153.1 Ų | 153.1 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | cis | -134.1 | 172.9 | 23.2 | -38.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 557 | A | 34.3 | Very low | 34.5 | Very low | 89 Ų | 89 | 147.7 Ų | 147.7 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | -122.8 | 159.8 | -168 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 558 | E | 33.4 | Very low | 34.3 | Very low | 202 Ų | 202 | 154.1 Ų | 154.1 | 94% | 0.944 | 80% | 0.802 | S | S | * | * | trans | -148.7 | 172.7 | 145.2 | -128.1 | -177.4 | 174.1 | 0 | 0 | 110.5 | ||||
| 559 | A | 35.8 | Very low | 34.4 | Very low | 87 Ų | 87 | 148.5 Ų | 148.5 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | trans | -133.7 | 140.1 | -140.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 560 | R | 39.3 | Very low | 34.4 | Very low | 239 Ų | 239 | 143 Ų | 143 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | 72 | 161.2 | 145.2 | -78.3 | -174.5 | 174.1 | -177.4 | 0 | 120.1 | ||||
| 561 | P | 58.7 | Low | 34.8 | Very low | 96 Ų | 96 | 139 Ų | 139 | 62% | 0.623 | 78% | 0.779 | S | S | * | * | cis | -145.1 | 172.4 | -33.9 | 40.6 | -23.4 | 0 | 0 | 0 | 117.1 | ||||
| 562 | F | 32.6 | Very low | 34.7 | Very low | 195 Ų | 195 | 137.9 Ų | 137.9 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | 68.1 | 152.6 | 157.4 | -85.2 | -68.6 | 0 | 0 | 0 | 118.8 | ||||
| 563 | R | 37.6 | Very low | 34.9 | Very low | 225 Ų | 225 | 136.4 Ų | 136.4 | 85% | 0.849 | 78% | 0.78 | S | S | * | * | cis | -151.7 | 126.7 | 1.2 | 175.1 | -170.6 | -108.9 | -97.7 | 6.4 | 112.9 | ||||
| 564 | G | 30.6 | Very low | 35.1 | Very low | 71 Ų | 71 | 139.9 Ų | 139.9 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | trans | 70.6 | 168.6 | 153.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 565 | S | 33.1 | Very low | 35.1 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | cis | -171.4 | 130.1 | -20.4 | 49.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 566 | V | 35.6 | Very low | 35.8 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | 48.2 | 140.7 | 163.9 | -64.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 567 | G | 32.8 | Very low | 36.1 | Very low | 64 Ų | 64 | 139.9 Ų | 139.9 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | cis | 145.4 | 143.1 | -14.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 568 | R | 38.8 | Very low | 36 | Very low | 244 Ų | 244 | 147.1 Ų | 147.1 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | trans | 71.2 | 155 | 164.1 | -56 | -170.1 | -175.2 | -138.1 | 3.2 | 115.9 | ||||
| 569 | V | 31.8 | Very low | 36.4 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | cis | -158 | 153.4 | -9.5 | 113 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 570 | S | 32.9 | Very low | 36.1 | Very low | 87 Ų | 87 | 149.6 Ų | 149.6 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | trans | -4.3 | 159.2 | 142.6 | -80.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 571 | Q | 37.3 | Very low | 36 | Very low | 165 Ų | 165 | 144.3 Ų | 144.3 | 77% | 0.771 | 79% | 0.788 | S | S | * | * | cis | -171 | 170 | -3.5 | -121 | 173.1 | 3.7 | 0 | 0 | 112.4 | ||||
| 572 | C | 29.8 | Very low | 34.7 | Very low | 89 Ų | 89 | 145.4 Ų | 145.4 | 60% | 0.601 | 80% | 0.798 | S | S | * | * | trans | 63.1 | 108.7 | 144.9 | -67.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 573 | N | 34.4 | Very low | 35 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | 46.3 | 119.8 | 116 | -49.8 | -22.3 | 0 | 0 | 0 | 121.5 | |||||
| 574 | L | 32.8 | Very low | 34.7 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | 169.8 | 149.4 | 113.3 | -90.5 | 157.6 | 0 | 0 | 0 | 111.8 | |||||
| 575 | C | 34.9 | Very low | 35 | Very low | 122 Ų | 122 | 140 Ų | 140 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -110.3 | 154.7 | 173.2 | -63.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 576 | P | 46.7 | Very low | 35 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | -146.8 | 171.5 | 117.4 | 38.1 | -22.8 | 0 | 0 | 0 | 116 | |||||
| 577 | T | 35 | Very low | 35 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -82.5 | 142.3 | -172.2 | -42.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 578 | R | 33 | Very low | 34.9 | Very low | 241 Ų | 241 | 143 Ų | 143 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -155.1 | 159 | 139.3 | -152.5 | 166 | 179.5 | 168.3 | 0.1 | 113 | ||||
| 579 | I | 42 | Very low | 34.6 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -100.9 | 142.3 | 179.9 | -63.8 | 155.6 | 0 | 0 | 0 | 109.6 | ||||
| 580 | E | 29.6 | Very low | 34.8 | Very low | 196 Ų | 196 | 136.7 Ų | 136.7 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | -155 | 167.6 | 140.2 | -141.2 | 154.3 | -133.6 | 0 | 0 | 112.1 | ||||
| 581 | V | 36.6 | Very low | 35.5 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -118.5 | 142 | -174.4 | 168.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 582 | S | 31.4 | Very low | 35.7 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -147.8 | 157.8 | 159.1 | -164.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 583 | T | 37.7 | Very low | 36.1 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -122.9 | 143.9 | -173.3 | 51.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 584 | D | 31.8 | Very low | 36.8 | Very low | 163 Ų | 163 | 136.6 Ų | 136.6 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | trans | -150.3 | 156.8 | 146.1 | -159.7 | 6.4 | 0 | 0 | 0 | 110.6 | ||||
| 585 | A | 37.2 | Very low | 37.4 | Very low | 90 Ų | 90 | 136 Ų | 136 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | trans | -156.2 | 115.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 586 | A | 33.8 | Very low | 37.5 | Very low | 100 Ų | 100 | 137.2 Ų | 137.2 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -159.8 | 162.5 | 166 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 587 | V | 34.3 | Very low | 37.6 | Very low | 124 Ų | 124 | 139 Ų | 139 | 75% | 0.752 | 84% | 0.84 | S | S | * | * | -173.1 | 158 | -52.6 | 128.8 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 588 | L | 32 | Very low | 37.7 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 84% | 0.843 | 84% | 0.84 | S | S | * | * | trans | 75.5 | 154.5 | -173.8 | -45 | 179.9 | 0 | 0 | 0 | 114.7 | ||||
| 589 | S | 32.6 | Very low | 38 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 76% | 0.762 | 84% | 0.836 | S | S | * | * | cis | -141.7 | 169.1 | 5.2 | -158.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 590 | V | 34.9 | Very low | 37.8 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 75% | 0.745 | 84% | 0.842 | S | S | * | * | trans | -122.7 | 138.6 | -178.5 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | A592 | V590-A592 HydrophobicContact CG1-CB 4.43Š| ||
| 591 | P | 47.2 | Very low | 38.2 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 79% | 0.792 | 84% | 0.837 | S | S | * | * | trans | -97.4 | 142.6 | 158 | 35.4 | -28.7 | 0 | 0 | 0 | 111.1 | ||||
| 592 | A | 41.1 | Very low | 38.3 | Very low | 87 Ų | 87 | 129.7 Ų | 129.7 | 72% | 0.719 | 84% | 0.841 | S | S | * | * | trans | -150.6 | 163.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V590 | V590-A592 HydrophobicContact CG1-CB 4.43Š| ||
| 593 | V | 39.7 | Very low | 38.8 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 80% | 0.8 | 84% | 0.842 | S | S | * | * | trans | 71 | 111.5 | 166 | -170.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 594 | T | 48 | Very low | 38.9 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 87% | 0.871 | 85% | 0.847 | S | S | * | * | -137.7 | 135.4 | 124.1 | -32.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 595 | L | 45.6 | Very low | 39.4 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 84% | 0.838 | 85% | 0.845 | S | S | * | * | trans | -130.2 | 145.1 | 168.4 | -90.8 | 172.5 | 0 | 0 | 0 | 108.2 | ||||
| 596 | V | 38.3 | Very low | 39.6 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 90% | 0.897 | 85% | 0.854 | S | S | * | * | trans | 156.3 | 130.1 | 165.9 | 146.1 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 597 | A | 48 | Very low | 40.1 | Very low | 169 Ų | 169 | 134.3 Ų | 134.3 | 100% | 1.397 | 86% | 0.856 | S | S | * | * | cis | -134.5 | 0 | -4.6 | 0 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 597 of 597 residues in 152.3 ms
(Link to these results)