| 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 | 30.8 | Very low | 39 | Very low | 241 Ų | 241 | 140.3 Ų | 140.3 | 100% | 1.187 | 79% | 0.788 | S | S | * | * | 0 | 103.3 | 0 | -77.2 | -76.8 | -129.3 | 0 | 0 | 108.1 | |||||
| 2 | A | 38.5 | Very low | 39.5 | Very low | 95 Ų | 95 | 142.4 Ų | 142.4 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | 35.4 | 109.5 | 163 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 3 | S | 40.2 | Very low | 40.1 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | S | Bend | -172.3 | 114.9 | 74.7 | -62.1 | 0 | 0 | 0 | 0 | 108 | |||
| 4 | L | 40.1 | Very low | 40.2 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -179.2 | 2.7 | 158 | -98.6 | 164.2 | 0 | 0 | 0 | 111.9 | K6 | L4-K6 PolarHBondContact O-N 3.42Š|
| 5 | E | 41.2 | Very low | 41 | Very low | 190 Ų | 190 | 132.2 Ų | 132.2 | 89% | 0.888 | 74% | 0.736 | S | S | * | * | trans | -84.2 | 88.8 | 158.1 | -73.2 | -176.3 | 169.7 | 0 | 0 | 109.7 | ||||
| 6 | K | 39 | Very low | 42 | Very low | 189 Ų | 189 | 133.6 Ų | 133.6 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | trans | 166.4 | 58.5 | 152.5 | -93.8 | 169.9 | -177 | -178.2 | 0 | 109 | L4 V8 | L4-K6 PolarHBondContact O-N 3.42Å; K6-V8 PolarHBondContact O-N 3.2Å; K6-V8 VanDerWaalsContact O-N 3.17Å | ||
| 7 | I | 41.4 | Very low | 43.3 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 80% | 0.795 | 75% | 0.75 | S | S | * | * | trans | -75.5 | 98.5 | 144.8 | -60.1 | 176.5 | 0 | 0 | 0 | 103.5 | G9 | I7-G9 PolarHBondContact O-N 3.07Å; I7-G9 VanDerWaalsContact O-N 3.12Å | ||
| 8 | V | 36.1 | Very low | 44.2 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 55% | 0.552 | 73% | 0.732 | S | S | * | * | trans | -57 | 114.7 | -176.4 | -175.1 | 0 | 0 | 0 | 0 | 107.4 | K6 S10 | K6-V8 PolarHBondContact O-N 3.2Å; K6-V8 VanDerWaalsContact O-N 3.17Å; V8-S10 WeakPolarHBondContact CG1-OG 3.37Å; V8-S10 PolarHBondContact O-N 3Å | ||
| 9 | G | 38.7 | Very low | 45.7 | Very low | 72 Ų | 72 | 132.5 Ų | 132.5 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 29.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | I7 | I7-G9 PolarHBondContact O-N 3.07Å; I7-G9 VanDerWaalsContact O-N 3.12Å |
| 10 | S | 39.6 | Very low | 46.9 | Very low | 70 Ų | 70 | 133 Ų | 133 | 49% | 0.49 | 72% | 0.715 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.5 | -12.5 | 179.2 | 70.6 | 0 | 0 | 0 | 0 | 113.7 | V8 F12 | V8-S10 WeakPolarHBondContact CG1-OG 3.37Å; V8-S10 PolarHBondContact O-N 3Å; S10-F12 VanDerWaalsContact C-N 3.34Å |
| 11 | E | 44 | Very low | 48 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -76.1 | -21 | 178.7 | -77 | -172.3 | 167.5 | 0 | 0 | 113.3 | ||
| 12 | F | 44.5 | Very low | 49.9 | Very low | 166 Ų | 166 | 132 Ų | 132 | 73% | 0.728 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -104.3 | 5.2 | 179.8 | -61.8 | -76.4 | 0 | 0 | 0 | 114.2 | S10 N14 | S10-F12 VanDerWaalsContact C-N 3.34Å; F12-N14 VanDerWaalsContact C-N 3.29Å; F12-N14 PolarHBondContact O-N 3.32Å |
| 13 | A | 46.8 | Very low | 51.4 | Low | 64 Ų | 64 | 134.6 Ų | 134.6 | 53% | 0.529 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.8 | 0 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 14 | N | 41.6 | Very low | 52.9 | Low | 126 Ų | 126 | 134.3 Ų | 134.3 | 67% | 0.674 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.3 | 39.6 | -176.7 | -62 | -44.9 | 0 | 0 | 0 | 112.8 | F12 D16 | F12-N14 VanDerWaalsContact C-N 3.29Å; F12-N14 PolarHBondContact O-N 3.32Å; N14-D16 PolarHBondContact O-N 2.85Å |
| 15 | D | 52.9 | Low | 54.3 | Low | 84 Ų | 84 | 133 Ų | 133 | 45% | 0.449 | 66% | 0.661 | S | S | . | * | G | 310 helix | trans | -74.5 | 14.4 | 168.2 | -84.6 | -17.6 | 0 | 0 | 0 | 113.1 | K17 V18 | D15-K17 PolarHBondContact O-N 3.43Å; D15-V18 PolarHBondContact O-N 3.19Å; D15-V18 VanDerWaalsContact O-N 3.12Å |
| 16 | D | 56.3 | Low | 55.5 | Low | 154 Ų | 154 | 129.6 Ų | 129.6 | 82% | 0.824 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -59.8 | -7.2 | 173.6 | -67.7 | -16.1 | 0 | 0 | 0 | 113.6 | N14 | N14-D16 PolarHBondContact O-N 2.85Š|
| 17 | K | 64.8 | Low | 56.8 | Low | 202 Ų | 202 | 124 Ų | 124 | 88% | 0.878 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -96.4 | -11 | 179.1 | -126.4 | 177.3 | -172.9 | 178.7 | 0 | 114.5 | D15 D19 | D15-K17 PolarHBondContact O-N 3.43Å; K17-D19 PolarHBondContact O-N 3.14Å |
| 18 | V | 58.3 | Low | 58 | Low | 71 Ų | 71 | 122.7 Ų | 122.7 | 43% | 0.43 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -86.6 | 105.3 | 174.7 | -177.6 | 0 | 0 | 0 | 0 | 107.6 | D15 Y20 | D15-V18 PolarHBondContact O-N 3.19Å; D15-V18 VanDerWaalsContact O-N 3.12Å; V18-Y20 HydrophobicContact CB-CE2 4.4Å; V18-Y20 WeakPolarHBondContact O-CD2 3.27Å; V18-Y20 PolarHBondContact O-N 3.4Å |
| 19 | D | 73.1 | Confident | 59.3 | Low | 107 Ų | 107 | 125 Ų | 125 | 57% | 0.572 | 62% | 0.617 | S | S | * | * | trans | -67.3 | 88.1 | 169.9 | -106.7 | -37.8 | 0 | 0 | 0 | 108.7 | K17 R21 E22 W23 | K17-D19 PolarHBondContact O-N 3.14Å; D19-R21 PolarHBondContact O-N 2.96Å; D19-E22 HydrophobicContact CB-CB 4.25Å; D19-E22 HydrophobicContact CB-CG 4.25Å; D19-E22 PolarHBondContact O-N 3Å; D19-W23 PolarHBondContact O-N 3.36Å | ||
| 20 | Y | 69.7 | Low | 60.7 | Low | 142 Ų | 142 | 125.8 Ų | 125.8 | 56% | 0.557 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -52 | -26.2 | 176.8 | -77.4 | -87.5 | 0 | 0 | 0 | 112.1 | V18 L24 | V18-Y20 HydrophobicContact CB-CE2 4.4Å; V18-Y20 WeakPolarHBondContact O-CD2 3.27Å; V18-Y20 PolarHBondContact O-N 3.4Å; Y20-L24 WeakPolarHBondContact O-CB 3.39Å; Y20-L24 VanDerWaalsContact O-CG 3.29Å; Y20-L24 WeakPolarHBondContact O-CG 3.46Å; Y20-L24 PolarHBondContact O-N 2.93Å |
| 21 | R | 70.7 | Confident | 62.1 | Low | 219 Ų | 219 | 126.2 Ų | 126.2 | 83% | 0.826 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.4 | -44.7 | 172.4 | -79.7 | -174.1 | 174.7 | -157.9 | -0.3 | 113.4 | D19 W23 L24 F25 | D19-R21 PolarHBondContact O-N 2.96Å; R21-W23 VanDerWaalsContact C-N 3.33Å; R21-L24 PolarHBondContact O-N 3.43Å; R21-F25 PolarHBondContact O-N 2.78Å; R21-F25 VanDerWaalsContact O-N 3.08Å |
| 22 | E | 71.1 | Confident | 63.4 | Low | 136 Ų | 136 | 123.4 Ų | 123.4 | 64% | 0.636 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.7 | -39.6 | 176.1 | -79.5 | -169.4 | 154.3 | 0 | 0 | 111.1 | D19 L24 F25 L26 | D19-E22 HydrophobicContact CB-CB 4.25Å; D19-E22 HydrophobicContact CB-CG 4.25Å; D19-E22 PolarHBondContact O-N 3Å; E22-L24 PolarHBondContact O-N 3.19Å; E22-F25 WeakPolarHBondContact O-CB 3.23Å; E22-F25 PolarHBondContact O-N 3.35Å; E22-F25 VanDerWaalsContact O-N 3.17Å; E22-L26 PolarHBondContact O-N 3.12Å |
| 23 | W | 70.4 | Confident | 64.4 | Low | 148 Ų | 148 | 119.8 Ų | 119.8 | 56% | 0.561 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.3 | -43 | 178.3 | -169 | 72.3 | 0 | 0 | 0 | 112.4 | D19 R21 F25 L26 L27 | D19-W23 PolarHBondContact O-N 3.36Å; R21-W23 VanDerWaalsContact C-N 3.33Å; W23-F25 VanDerWaalsContact C-N 3.32Å; W23-F25 PolarHBondContact O-N 2.87Å; W23-L26 PolarHBondContact O-N 3.23Å; W23-L27 HydrophobicContact CD2-CD1 4.01Å; W23-L27 HydrophobicContact CE3-CD1 3.76Å; W23-L27 HydrophobicContact CH2-CD1 3.7Å; W23-L27 HydrophobicContact CZ2-CD1 3.92Å; W23-L27 HydrophobicContact CZ3-CD1 3.6Å; W23-L27 PolarHBondContact O-N 3.36Å |
| 24 | L | 70.5 | Confident | 65.5 | Low | 107 Ų | 107 | 122.1 Ų | 122.1 | 56% | 0.56 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.6 | -36.3 | 173.4 | -74.3 | 169.9 | 0 | 0 | 0 | 112.3 | Y20 R21 E22 L27 Q28 | Y20-L24 WeakPolarHBondContact O-CB 3.39Å; Y20-L24 VanDerWaalsContact O-CG 3.29Å; Y20-L24 WeakPolarHBondContact O-CG 3.46Å; Y20-L24 PolarHBondContact O-N 2.93Å; R21-L24 PolarHBondContact O-N 3.43Å; E22-L24 PolarHBondContact O-N 3.19Å; L24-L27 PolarHBondContact O-N 2.96Å; L24-Q28 PolarHBondContact O-N 3.47Å |
| 25 | F | 69.2 | Low | 67 | Low | 130 Ų | 130 | 123.3 Ų | 123.3 | 57% | 0.57 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.5 | -39.4 | 178 | -156.5 | -90.1 | 0 | 0 | 0 | 112.3 | R21 E22 W23 Q28 Y29 | R21-F25 PolarHBondContact O-N 2.78Å; R21-F25 VanDerWaalsContact O-N 3.08Å; E22-F25 WeakPolarHBondContact O-CB 3.23Å; E22-F25 PolarHBondContact O-N 3.35Å; E22-F25 VanDerWaalsContact O-N 3.17Å; W23-F25 VanDerWaalsContact C-N 3.32Å; W23-F25 PolarHBondContact O-N 2.87Å; F25-Q28 PolarHBondContact O-N 3.29Å; F25-Y29 HydrophobicContact CE1-CD2 4.2Å; F25-Y29 HydrophobicContact CE1-CE2 4.29Å; F25-Y29 PolarHBondContact O-N 3.17Å |
| 26 | L | 67.1 | Low | 67.6 | Low | 118 Ų | 118 | 125.5 Ų | 125.5 | 62% | 0.618 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.4 | -42.9 | 175.3 | -75.7 | 167.7 | 0 | 0 | 0 | 112.2 | E22 W23 Q28 Y29 D30 | E22-L26 PolarHBondContact O-N 3.12Å; W23-L26 PolarHBondContact O-N 3.23Å; L26-Q28 VanDerWaalsContact C-N 3.29Å; L26-Q28 PolarHBondContact O-N 3.49Å; L26-Y29 PolarHBondContact O-N 3.44Å; L26-D30 PolarHBondContact O-N 2.72Å |
| 27 | L | 66.7 | Low | 68.1 | Low | 72 Ų | 72 | 123.8 Ų | 123.8 | 38% | 0.377 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.6 | -35.6 | 177.5 | -72.3 | 170.2 | 0 | 0 | 0 | 112.4 | W23 L24 D30 D31 | W23-L27 HydrophobicContact CD2-CD1 4.01Å; W23-L27 HydrophobicContact CE3-CD1 3.76Å; W23-L27 HydrophobicContact CH2-CD1 3.7Å; W23-L27 HydrophobicContact CZ2-CD1 3.92Å; W23-L27 HydrophobicContact CZ3-CD1 3.6Å; W23-L27 PolarHBondContact O-N 3.36Å; L24-L27 PolarHBondContact O-N 2.96Å; L27-D30 PolarHBondContact O-N 3.1Å; L27-D31 PolarHBondContact O-N 3.08Å |
| 28 | Q | 64.9 | Low | 67.9 | Low | 127 Ų | 127 | 120.1 Ų | 120.1 | 59% | 0.593 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.2 | -39.1 | 178.7 | -147.6 | 170.6 | 20.1 | 0 | 0 | 111.8 | L24 F25 L26 D30 D31 E32 | L24-Q28 PolarHBondContact O-N 3.47Å; F25-Q28 PolarHBondContact O-N 3.29Å; L26-Q28 VanDerWaalsContact C-N 3.29Å; L26-Q28 PolarHBondContact O-N 3.49Å; Q28-D30 VanDerWaalsContact C-N 3.34Å; Q28-D30 PolarHBondContact O-N 3.32Å; Q28-D31 PolarHBondContact O-N 3.25Å; Q28-E32 PolarHBondContact O-N 2.88Å; Q28-E32 VanDerWaalsContact O-N 3.12Å |
| 29 | Y | 65 | Low | 68 | Low | 140 Ų | 140 | 119.1 Ų | 119.1 | 55% | 0.549 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62 | -40.5 | 174.4 | -123.7 | -88.8 | 0 | 0 | 0 | 112.3 | F25 L26 D31 E32 L33 | F25-Y29 HydrophobicContact CE1-CD2 4.2Å; F25-Y29 HydrophobicContact CE1-CE2 4.29Å; F25-Y29 PolarHBondContact O-N 3.17Å; L26-Y29 PolarHBondContact O-N 3.44Å; Y29-D31 VanDerWaalsContact C-N 3.33Å; Y29-D31 PolarHBondContact O-N 3.12Å; Y29-E32 PolarHBondContact O-N 3.44Å; Y29-L33 WeakPolarHBondContact O-CG 3.42Å; Y29-L33 PolarHBondContact O-N 3.2Å |
| 30 | D | 68 | Low | 67 | Low | 88 Ų | 88 | 119.1 Ų | 119.1 | 47% | 0.471 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.1 | -37.5 | 176.6 | -90.8 | -11.9 | 0 | 0 | 0 | 112.4 | L26 L27 Q28 L33 K34 | L26-D30 PolarHBondContact O-N 2.72Å; L27-D30 PolarHBondContact O-N 3.1Å; Q28-D30 VanDerWaalsContact C-N 3.34Å; Q28-D30 PolarHBondContact O-N 3.32Å; D30-L33 PolarHBondContact O-N 2.99Å; D30-K34 VanDerWaalsContact O-CG 3.3Å; D30-K34 WeakPolarHBondContact O-CG 3.39Å; D30-K34 PolarHBondContact O-N 3.34Å |
| 31 | D | 69.6 | Low | 66.3 | Low | 80 Ų | 80 | 119.1 Ų | 119.1 | 43% | 0.428 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -72.7 | -32.8 | 177.5 | -78.4 | -12 | 0 | 0 | 0 | 112.7 | L27 Q28 Y29 K34 K35 | L27-D31 PolarHBondContact O-N 3.08Å; Q28-D31 PolarHBondContact O-N 3.25Å; Y29-D31 VanDerWaalsContact C-N 3.33Å; Y29-D31 PolarHBondContact O-N 3.12Å; D31-K34 PolarHBondContact O-N 3.47Å; D31-K34 IonicContact OD1-NZ 3.01Å; D31-K34 PolarHBondContact OD1-NZ 3.1Å; D31-K35 VanDerWaalsContact O-CG 3.31Å; D31-K35 WeakPolarHBondContact O-CG 3.5Å; D31-K35 PolarHBondContact O-N 3.5Å |
| 32 | E | 71 | Confident | 65.5 | Low | 110 Ų | 110 | 118.1 Ų | 118.1 | 51% | 0.514 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.9 | -42.2 | 169.7 | -70.5 | -170.7 | 171.3 | 0 | 0 | 112 | Q28 Y29 K35 L36 | Q28-E32 PolarHBondContact O-N 2.88Å; Q28-E32 VanDerWaalsContact O-N 3.12Å; Y29-E32 PolarHBondContact O-N 3.44Å; E32-K35 WeakPolarHBondContact O-CB 3.31Å; E32-K35 PolarHBondContact O-N 3.12Å; E32-L36 PolarHBondContact O-N 2.95Å |
| 33 | L | 64.9 | Low | 64.8 | Low | 90 Ų | 90 | 117.1 Ų | 117.1 | 47% | 0.471 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.4 | -43.6 | 173.3 | -78.4 | 169.1 | 0 | 0 | 0 | 111.6 | Y29 D30 K35 L36 V37 | Y29-L33 WeakPolarHBondContact O-CG 3.42Å; Y29-L33 PolarHBondContact O-N 3.2Å; D30-L33 PolarHBondContact O-N 2.99Å; L33-K35 VanDerWaalsContact C-N 3.32Å; L33-K35 PolarHBondContact O-N 3.48Å; L33-L36 PolarHBondContact O-N 3.16Å; L33-V37 VanDerWaalsContact O-CG2 3.3Å; L33-V37 WeakPolarHBondContact O-CG2 3.47Å; L33-V37 PolarHBondContact O-N 3.1Å |
| 34 | K | 69.9 | Low | 64.3 | Low | 113 Ų | 113 | 115.4 Ų | 115.4 | 49% | 0.491 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.7 | -40.3 | 173.7 | -75.2 | 172.4 | -162 | 154.8 | 0 | 111.7 | D30 D31 V37 N38 | D30-K34 VanDerWaalsContact O-CG 3.3Å; D30-K34 WeakPolarHBondContact O-CG 3.39Å; D30-K34 PolarHBondContact O-N 3.34Å; D31-K34 PolarHBondContact O-N 3.47Å; D31-K34 IonicContact OD1-NZ 3.01Å; D31-K34 PolarHBondContact OD1-NZ 3.1Å; K34-V37 PolarHBondContact O-N 2.66Å; K34-N38 WeakPolarHBondContact O-CB 3.46Å; K34-N38 PolarHBondContact O-N 3.33Å; K34-N38 PolarHBondContact O-ND2 2.88Å; K34-N38 VanDerWaalsContact O-ND2 3.12Å |
| 35 | K | 73.5 | Confident | 63.8 | Low | 152 Ų | 152 | 113 Ų | 113 | 66% | 0.661 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.2 | -38.5 | 175.9 | -75.3 | 171.9 | -174.2 | 172.3 | 0 | 112.3 | D31 E32 L33 N38 A39 | D31-K35 VanDerWaalsContact O-CG 3.31Å; D31-K35 WeakPolarHBondContact O-CG 3.5Å; D31-K35 PolarHBondContact O-N 3.5Å; E32-K35 WeakPolarHBondContact O-CB 3.31Å; E32-K35 PolarHBondContact O-N 3.12Å; L33-K35 VanDerWaalsContact C-N 3.32Å; L33-K35 PolarHBondContact O-N 3.48Å; K35-N38 CarbonylContact O-C 3.28Å; K35-A39 WeakPolarHBondContact O-CB 3.32Å; K35-A39 PolarHBondContact O-N 2.92Å |
| 36 | L | 66 | Low | 63.9 | Low | 130 Ų | 130 | 109.2 Ų | 109.2 | 68% | 0.681 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.6 | -42.4 | 175 | -81.4 | 163.2 | 0 | 0 | 0 | 112.2 | E32 L33 N38 A39 | E32-L36 PolarHBondContact O-N 2.95Å; L33-L36 PolarHBondContact O-N 3.16Å; L36-N38 VanDerWaalsContact C-N 3.35Å; L36-A39 WeakPolarHBondContact O-CB 3.2Å; L36-A39 PolarHBondContact O-N 3.44Å |
| 37 | V | 64.9 | Low | 64 | Low | 118 Ų | 118 | 109.9 Ų | 109.9 | 72% | 0.715 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.5 | -37.8 | 177.3 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | L33 K34 A39 | L33-V37 VanDerWaalsContact O-CG2 3.3Å; L33-V37 WeakPolarHBondContact O-CG2 3.47Å; L33-V37 PolarHBondContact O-N 3.1Å; K34-V37 PolarHBondContact O-N 2.66Å; V37-A39 VanDerWaalsContact C-N 3.34Å |
| 38 | N | 61.3 | Low | 64.3 | Low | 125 Ų | 125 | 109.8 Ų | 109.8 | 67% | 0.668 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -86 | -4.9 | 178.5 | -65.2 | -27.6 | 0 | 0 | 0 | 113.4 | K34 K35 L36 | K34-N38 WeakPolarHBondContact O-CB 3.46Å; K34-N38 PolarHBondContact O-N 3.33Å; K34-N38 PolarHBondContact O-ND2 2.88Å; K34-N38 VanDerWaalsContact O-ND2 3.12Å; K35-N38 CarbonylContact O-C 3.28Å; L36-N38 VanDerWaalsContact C-N 3.35Å |
| 39 | A | 61.6 | Low | 64.7 | Low | 49 Ų | 49 | 108.7 Ų | 108.7 | 41% | 0.405 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -63.1 | 125.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | K35 L36 V37 L41 | K35-A39 WeakPolarHBondContact O-CB 3.32Å; K35-A39 PolarHBondContact O-N 2.92Å; L36-A39 WeakPolarHBondContact O-CB 3.2Å; L36-A39 PolarHBondContact O-N 3.44Å; V37-A39 VanDerWaalsContact C-N 3.34Å; A39-L41 PolarHBondContact O-N 2.88Å |
| 40 | P | 50.5 | Low | 65.1 | Low | 107 Ų | 107 | 104.4 Ų | 104.4 | 70% | 0.695 | 56% | 0.559 | S | S | * | * | trans | -58.9 | 117.7 | 179.8 | 21.3 | -30 | 0 | 0 | 0 | 108.1 | K42 | P40-K42 VanDerWaalsContact C-N 3.34Å; P40-K42 PolarHBondContact O-N 3.01Å | ||
| 41 | L | 54.7 | Low | 65.4 | Low | 142 Ų | 142 | 106.5 Ų | 106.5 | 74% | 0.743 | 57% | 0.568 | S | S | * | * | trans | -51.2 | 99.4 | 172.6 | -85.7 | 127.9 | 0 | 0 | 0 | 107.9 | A39 N43 T44 | A39-L41 PolarHBondContact O-N 2.88Å; L41-N43 PolarHBondContact O-N 3.42Å; L41-T44 HydrophobicContact CB-CG2 4.23Å; L41-T44 PolarHBondContact O-N 3Å | ||
| 42 | K | 54.5 | Low | 66 | Low | 199 Ų | 199 | 111.5 Ų | 111.5 | 87% | 0.865 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -6.8 | -175.5 | -70.1 | -175.4 | 178.5 | 179.1 | 0 | 113.4 | P40 | P40-K42 VanDerWaalsContact C-N 3.34Å; P40-K42 PolarHBondContact O-N 3.01Å |
| 43 | N | 57.3 | Low | 66 | Low | 115 Ų | 115 | 109.6 Ų | 109.6 | 62% | 0.615 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | 40.9 | -177.5 | -65.1 | -11.2 | 0 | 0 | 0 | 112.2 | L41 V45 Q61 | L41-N43 PolarHBondContact O-N 3.42Å; N43-V45 PolarHBondContact O-N 3.01Å; N43-V45 VanDerWaalsContact O-N 3.14Å; N43-Q61 PolarHBondContact ND2-NE2 3.44Å |
| 44 | T | 58.5 | Low | 66.4 | Low | 112 Ų | 112 | 109.3 Ų | 109.3 | 69% | 0.687 | 58% | 0.583 | S | S | * | * | trans | -71.3 | 105.6 | 166.8 | 46.4 | 0 | 0 | 0 | 0 | 108.9 | L41 S46 | L41-T44 HydrophobicContact CB-CG2 4.23Å; L41-T44 PolarHBondContact O-N 3Å; T44-S46 PolarHBondContact O-N 3.16Å | ||
| 45 | V | 59.9 | Low | 66.4 | Low | 55 Ų | 55 | 109.6 Ų | 109.6 | 33% | 0.333 | 59% | 0.588 | S | S | . | * | trans | -56.5 | 123.3 | 163.9 | -177.5 | 0 | 0 | 0 | 0 | 106.7 | N43 L47 E49 I50 | N43-V45 PolarHBondContact O-N 3.01Å; N43-V45 VanDerWaalsContact O-N 3.14Å; V45-L47 PolarHBondContact O-N 3.43Å; V45-E49 HydrophobicContact CG1-CB 3.9Å; V45-E49 HydrophobicContact CG1-CG 3.92Å; V45-I50 HydrophobicContact CB-CD1 4.41Å; V45-I50 HydrophobicContact CB-CG1 4.21Å; V45-I50 HydrophobicContact CG1-CD1 4.47Å; V45-I50 HydrophobicContact CG1-CG1 3.75Å | ||
| 46 | S | 72.6 | Confident | 66.2 | Low | 52 Ų | 52 | 102.9 Ų | 102.9 | 36% | 0.364 | 56% | 0.56 | S | S | . | * | trans | -58.7 | 141.7 | -177.3 | 69.1 | 0 | 0 | 0 | 0 | 110.3 | T44 S48 E49 I50 | T44-S46 PolarHBondContact O-N 3.16Å; S46-S48 PolarHBondContact O-N 2.98Å; S46-S48 VanDerWaalsContact O-N 3.12Å; S46-S48 PolarHBondContact OG-OG 3.47Å; S46-E49 WeakPolarHBondContact O-CA 3.44Å; S46-E49 WeakPolarHBondContact O-CB 3.3Å; S46-E49 PolarHBondContact O-N 3.19Å; S46-E49 VanDerWaalsContact OG-CB 3.27Å; S46-E49 WeakPolarHBondContact OG-CB 3.3Å; S46-E49 PolarHBondContact OG-N 3.36Å; S46-I50 PolarHBondContact O-N 3.41Å; S46-I50 VanDerWaalsContact O-N 3.1Å | ||
| 47 | L | 68.5 | Low | 66.1 | Low | 131 Ų | 131 | 101.6 Ų | 101.6 | 69% | 0.686 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -55.3 | -35.3 | 179.9 | -169.4 | 72.8 | 0 | 0 | 0 | 111.7 | V45 E49 I50 I51 | V45-L47 PolarHBondContact O-N 3.43Å; L47-E49 VanDerWaalsContact C-N 3.31Å; L47-E49 PolarHBondContact O-N 3.21Å; L47-I50 PolarHBondContact O-N 3.36Å; L47-I51 HydrophobicContact CG-CD1 4.19Å; L47-I51 VanDerWaalsContact O-CG1 3.26Å; L47-I51 WeakPolarHBondContact O-CG1 3.29Å; L47-I51 PolarHBondContact O-N 3.22Å |
| 48 | S | 73.6 | Confident | 66 | Low | 71 Ų | 71 | 104.3 Ų | 104.3 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.5 | -35.4 | 173.1 | 39.2 | 0 | 0 | 0 | 0 | 114 | S46 K52 | S46-S48 PolarHBondContact O-N 2.98Å; S46-S48 VanDerWaalsContact O-N 3.12Å; S46-S48 PolarHBondContact OG-OG 3.47Å; S48-K52 WeakPolarHBondContact O-CG 3.19Å; S48-K52 PolarHBondContact O-N 3.49Å |
| 49 | E | 72.9 | Confident | 65.7 | Low | 103 Ų | 103 | 108.2 Ų | 108.2 | 48% | 0.481 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -77 | -35.6 | 178.1 | -172.6 | 171.6 | -168.1 | 0 | 0 | 111.5 | V45 S46 L47 K52 N53 | V45-E49 HydrophobicContact CG1-CB 3.9Å; V45-E49 HydrophobicContact CG1-CG 3.92Å; S46-E49 WeakPolarHBondContact O-CA 3.44Å; S46-E49 WeakPolarHBondContact O-CB 3.3Å; S46-E49 PolarHBondContact O-N 3.19Å; S46-E49 VanDerWaalsContact OG-CB 3.27Å; S46-E49 WeakPolarHBondContact OG-CB 3.3Å; S46-E49 PolarHBondContact OG-N 3.36Å; L47-E49 VanDerWaalsContact C-N 3.31Å; L47-E49 PolarHBondContact O-N 3.21Å; E49-K52 PolarHBondContact O-N 3.5Å; E49-N53 PolarHBondContact O-N 3.03Å |
| 50 | I | 73.8 | Confident | 65.1 | Low | 51 Ų | 51 | 109 Ų | 109 | 26% | 0.262 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.6 | -42.9 | 171.9 | -61.3 | 174.6 | 0 | 0 | 0 | 111.3 | V45 S46 L47 N53 P54 I57 | V45-I50 HydrophobicContact CB-CD1 4.41Å; V45-I50 HydrophobicContact CB-CG1 4.21Å; V45-I50 HydrophobicContact CG1-CD1 4.47Å; V45-I50 HydrophobicContact CG1-CG1 3.75Å; S46-I50 PolarHBondContact O-N 3.41Å; S46-I50 VanDerWaalsContact O-N 3.1Å; L47-I50 PolarHBondContact O-N 3.36Å; I50-N53 CarbonylContact O-C 3.59Å; I50-N53 VanDerWaalsContact O-C 3.22Å; I50-N53 PolarHBondContact O-N 3.46Å; I50-P54 VanDerWaalsContact O-CA 3.32Å; I50-P54 WeakPolarHBondContact O-CA 3.48Å; I50-P54 VanDerWaalsContact O-N 3.13Å; I50-I57 HydrophobicContact CD1-CD1 4.47Å; I50-I57 HydrophobicContact CD1-CG1 4.31Å; I50-I57 HydrophobicContact CG1-CD1 4.48Å; I50-I57 HydrophobicContact CG1-CG1 4.09Å; I50-I57 HydrophobicContact CG2-CD1 3.9Å; I50-I57 HydrophobicContact CG2-CG1 4.3Å |
| 51 | I | 74.5 | Confident | 64.9 | Low | 131 Ų | 131 | 111.5 Ų | 111.5 | 67% | 0.672 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65 | -42 | 178.8 | -67.6 | 164.1 | 0 | 0 | 0 | 111 | L47 | L47-I51 HydrophobicContact CG-CD1 4.19Å; L47-I51 VanDerWaalsContact O-CG1 3.26Å; L47-I51 WeakPolarHBondContact O-CG1 3.29Å; L47-I51 PolarHBondContact O-N 3.22Å |
| 52 | K | 81.5 | Confident | 64.1 | Low | 185 Ų | 185 | 114.5 Ų | 114.5 | 80% | 0.804 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71.7 | -35.2 | 178.9 | -74.7 | 177.3 | -178.4 | 179.1 | 0 | 112.7 | S48 E49 | S48-K52 WeakPolarHBondContact O-CG 3.19Å; S48-K52 PolarHBondContact O-N 3.49Å; E49-K52 PolarHBondContact O-N 3.5Å |
| 53 | N | 71.9 | Confident | 63.2 | Low | 71 Ų | 71 | 109.9 Ų | 109.9 | 38% | 0.38 | 58% | 0.577 | S | S | . | * | trans | -145.3 | 94.6 | 179.9 | -171.2 | -10.4 | 0 | 0 | 0 | 110.3 | E49 I50 M55 S56 | E49-N53 PolarHBondContact O-N 3.03Å; I50-N53 CarbonylContact O-C 3.59Å; I50-N53 VanDerWaalsContact O-C 3.22Å; I50-N53 PolarHBondContact O-N 3.46Å; N53-M55 PolarHBondContact O-N 3.01Å; N53-M55 VanDerWaalsContact O-N 3.1Å; N53-M55 WeakPolarHBondContact OD1-CB 3.26Å; N53-M55 PolarHBondContact OD1-N 3.17Å; N53-M55 VanDerWaalsContact OD1-N 3.16Å; N53-S56 VanDerWaalsContact O-CB 3.23Å; N53-S56 WeakPolarHBondContact O-CB 3.29Å; N53-S56 PolarHBondContact O-N 2.97Å; N53-S56 PolarHBondContact O-OG 3.39Å | ||
| 54 | P | 73.3 | Confident | 62.4 | Low | 83 Ų | 83 | 108.6 Ų | 108.6 | 54% | 0.539 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -64.9 | -18.2 | -178.4 | 25.4 | -34 | 0 | 0 | 0 | 112.7 | I50 S56 | I50-P54 VanDerWaalsContact O-CA 3.32Å; I50-P54 WeakPolarHBondContact O-CA 3.48Å; I50-P54 VanDerWaalsContact O-N 3.13Å; P54-S56 VanDerWaalsContact C-N 3.28Å; P54-S56 PolarHBondContact O-N 2.8Å |
| 55 | M | 68.8 | Low | 61.7 | Low | 120 Ų | 120 | 111.7 Ų | 111.7 | 59% | 0.591 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -78.7 | -7.9 | 174.6 | -65.9 | -60.7 | -61.2 | 0 | 0 | 113.5 | N53 I57 Y58 R59 | N53-M55 PolarHBondContact O-N 3.01Å; N53-M55 VanDerWaalsContact O-N 3.1Å; N53-M55 WeakPolarHBondContact OD1-CB 3.26Å; N53-M55 PolarHBondContact OD1-N 3.17Å; N53-M55 VanDerWaalsContact OD1-N 3.16Å; M55-I57 PolarHBondContact O-N 3.4Å; M55-Y58 HydrophobicContact CE-CD2 3.79Å; M55-Y58 HydrophobicContact CE-CG 4.37Å; M55-Y58 PolarHBondContact O-N 3.21Å; M55-Y58 HydrophobicContact SD-CD2 3.9Å; M55-Y58 HydrophobicContact SD-CE2 4.25Å; M55-R59 PolarHBondContact O-N 2.89Å |
| 56 | S | 69.1 | Low | 60.8 | Low | 11 Ų | 11 | 114.2 Ų | 114.2 | 8% | 0.077 | 62% | 0.615 | C | S | . | * | G | 310 helix | trans | -60.9 | -30.9 | 175.1 | 59.6 | 0 | 0 | 0 | 0 | 112.8 | N53 P54 Y58 R59 | N53-S56 VanDerWaalsContact O-CB 3.23Å; N53-S56 WeakPolarHBondContact O-CB 3.29Å; N53-S56 PolarHBondContact O-N 2.97Å; N53-S56 PolarHBondContact O-OG 3.39Å; P54-S56 VanDerWaalsContact C-N 3.28Å; P54-S56 PolarHBondContact O-N 2.8Å; S56-Y58 PolarHBondContact O-N 3.2Å; S56-Y58 VanDerWaalsContact O-N 3.16Å; S56-R59 PolarHBondContact O-N 2.82Å |
| 57 | I | 65.1 | Low | 59.6 | Low | 102 Ų | 102 | 117.8 Ų | 117.8 | 52% | 0.523 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -57.8 | -29.7 | 173.8 | -51.7 | 172.8 | 0 | 0 | 0 | 110.9 | I50 M55 | I50-I57 HydrophobicContact CD1-CD1 4.47Å; I50-I57 HydrophobicContact CD1-CG1 4.31Å; I50-I57 HydrophobicContact CG1-CD1 4.48Å; I50-I57 HydrophobicContact CG1-CG1 4.09Å; I50-I57 HydrophobicContact CG2-CD1 3.9Å; I50-I57 HydrophobicContact CG2-CG1 4.3Å; M55-I57 PolarHBondContact O-N 3.4Å |
| 58 | Y | 62.2 | Low | 58.2 | Low | 175 Ų | 175 | 116.9 Ų | 116.9 | 69% | 0.686 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -99.1 | 5.6 | 179.5 | -56.7 | -74.6 | 0 | 0 | 0 | 113.9 | M55 S56 G60 | M55-Y58 HydrophobicContact CE-CD2 3.79Å; M55-Y58 HydrophobicContact CE-CG 4.37Å; M55-Y58 PolarHBondContact O-N 3.21Å; M55-Y58 HydrophobicContact SD-CD2 3.9Å; M55-Y58 HydrophobicContact SD-CE2 4.25Å; S56-Y58 PolarHBondContact O-N 3.2Å; S56-Y58 VanDerWaalsContact O-N 3.16Å; Y58-G60 PolarHBondContact O-N 2.93Å |
| 59 | R | 55.1 | Low | 56.9 | Low | 208 Ų | 208 | 119.1 Ų | 119.1 | 79% | 0.785 | 65% | 0.65 | S | S | * | * | trans | -69.5 | 74.6 | 163.9 | -84 | -167 | -178.2 | -160.2 | 2.1 | 107.9 | M55 S56 Q61 | M55-R59 PolarHBondContact O-N 2.89Å; S56-R59 PolarHBondContact O-N 2.82Å; R59-Q61 PolarHBondContact O-N 3.12Å | ||
| 60 | G | 48.9 | Very low | 55.9 | Low | 64 Ų | 64 | 120.4 Ų | 120.4 | 66% | 0.66 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 129.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | Y58 K62 | Y58-G60 PolarHBondContact O-N 2.93Å; G60-K62 PolarHBondContact O-N 3.37Å |
| 61 | Q | 47.3 | Very low | 54.7 | Low | 161 Ų | 161 | 123.3 Ų | 123.3 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 125.5 | 167.6 | -68.7 | 179.5 | -25.8 | 0 | 0 | 107.9 | N43 R59 A63 | N43-Q61 PolarHBondContact ND2-NE2 3.44Å; R59-Q61 PolarHBondContact O-N 3.12Å; Q61-A63 PolarHBondContact O-N 3.19Å; Q61-A63 VanDerWaalsContact O-N 3.1Å |
| 62 | K | 37.6 | Very low | 53.9 | Low | 205 Ų | 205 | 126.5 Ų | 126.5 | 89% | 0.891 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 117.3 | 164.2 | -80.6 | 179.2 | 173.4 | -179.8 | 0 | 106.9 | G60 | G60-K62 PolarHBondContact O-N 3.37Š|
| 63 | A | 35 | Very low | 52.3 | Low | 101 Ų | 101 | 121.8 Ų | 121.8 | 84% | 0.835 | 68% | 0.678 | S | S | * | * | trans | 27.6 | 111.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 118 | Q61 | Q61-A63 PolarHBondContact O-N 3.19Å; Q61-A63 VanDerWaalsContact O-N 3.1Å | ||
| 64 | A | 39.7 | Very low | 51.4 | Low | 88 Ų | 88 | 123 Ų | 123 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -152 | 110.5 | 138 | 0 | 0 | 0 | 0 | 0 | 107.9 | S66 | A64-S66 PolarHBondContact O-N 3.48Å; A64-S66 VanDerWaalsContact O-N 3.07Å | ||
| 65 | D | 44.9 | Very low | 50.5 | Low | 177 Ų | 177 | 127 Ų | 127 | 95% | 0.947 | 70% | 0.696 | S | S | * | * | trans | 5.6 | 85.3 | 162 | -56.4 | -35.5 | 0 | 0 | 0 | 116.8 | ||||
| 66 | S | 40.8 | Very low | 50 | Low | 108 Ų | 108 | 124.4 Ų | 124.4 | 76% | 0.755 | 69% | 0.693 | S | S | * | * | trans | -152.2 | 134.9 | 155.3 | 69.5 | 0 | 0 | 0 | 0 | 109.5 | A64 | A64-S66 PolarHBondContact O-N 3.48Å; A64-S66 VanDerWaalsContact O-N 3.07Å | ||
| 67 | T | 46.7 | Very low | 49.9 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 78% | 0.779 | 71% | 0.713 | S | S | * | * | trans | -19.9 | 131.4 | 177.1 | -44 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 68 | P | 39.7 | Very low | 50.1 | Low | 113 Ų | 113 | 127.2 Ų | 127.2 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | trans | -54 | 128.9 | -176.6 | 22 | -33 | 0 | 0 | 0 | 110 | T70 | P68-T70 PolarHBondContact O-N 3.18Š| ||
| 69 | P | 46 | Very low | 50.5 | Low | 118 Ų | 118 | 122.2 Ų | 122.2 | 77% | 0.766 | 70% | 0.699 | S | S | * | * | trans | -58.3 | 128.3 | 179.7 | 22.4 | -31.5 | 0 | 0 | 0 | 108.7 | P71 | P69-P71 VanDerWaalsContact O-N 3.12Š| ||
| 70 | T | 52.8 | Low | 51.6 | Low | 130 Ų | 130 | 116.4 Ų | 116.4 | 80% | 0.798 | 69% | 0.686 | S | S | * | * | trans | -44.2 | 120.3 | 170.2 | -18.2 | 0 | 0 | 0 | 0 | 107.3 | P68 Y72 | P68-T70 PolarHBondContact O-N 3.18Å; T70-Y72 PolarHBondContact O-N 3.4Å | ||
| 71 | P | 47.8 | Very low | 52.8 | Low | 111 Ų | 111 | 116.2 Ų | 116.2 | 72% | 0.721 | 68% | 0.678 | S | S | * | * | trans | -61.3 | 107.9 | -175.7 | 22.6 | -31.6 | 0 | 0 | 0 | 107.9 | P69 V73 | P69-P71 VanDerWaalsContact O-N 3.12Å; P71-V73 VanDerWaalsContact C-N 3.27Å; P71-V73 PolarHBondContact O-N 2.89Å | ||
| 72 | Y | 57.6 | Low | 54.1 | Low | 198 Ų | 198 | 115.1 Ų | 115.1 | 78% | 0.776 | 67% | 0.671 | S | S | * | * | trans | -71 | 91.4 | 174.6 | -168.1 | -102.1 | 0 | 0 | 0 | 106.9 | T70 L74 | T70-Y72 PolarHBondContact O-N 3.4Å; Y72-L74 HydrophobicContact CD1-CD2 3.93Å; Y72-L74 HydrophobicContact CD1-CG 3.95Å; Y72-L74 HydrophobicContact CE1-CD2 3.6Å; Y72-L74 HydrophobicContact CE1-CG 4.11Å; Y72-L74 PolarHBondContact O-N 3.03Å | ||
| 73 | V | 47.8 | Very low | 56 | Low | 86 Ų | 86 | 115 Ų | 115 | 52% | 0.521 | 67% | 0.665 | S | S | . | * | trans | -72.6 | 97.2 | 174.1 | -176.3 | 0 | 0 | 0 | 0 | 106.6 | P71 E75 D77 I78 | P71-V73 VanDerWaalsContact C-N 3.27Å; P71-V73 PolarHBondContact O-N 2.89Å; V73-E75 PolarHBondContact O-N 2.91Å; V73-D77 HydrophobicContact CG1-CB 4.03Å; V73-I78 HydrophobicContact CG1-CD1 4.41Å; V73-I78 HydrophobicContact CG1-CG1 3.81Å | ||
| 74 | L | 52.9 | Low | 58.3 | Low | 98 Ų | 98 | 116.5 Ų | 116.5 | 51% | 0.513 | 65% | 0.653 | S | S | . | * | trans | -54.3 | 136.6 | 172.7 | -75.3 | 156.7 | 0 | 0 | 0 | 108.9 | Y72 A76 D77 | Y72-L74 HydrophobicContact CD1-CD2 3.93Å; Y72-L74 HydrophobicContact CD1-CG 3.95Å; Y72-L74 HydrophobicContact CE1-CD2 3.6Å; Y72-L74 HydrophobicContact CE1-CG 4.11Å; Y72-L74 PolarHBondContact O-N 3.03Å; L74-A76 PolarHBondContact O-N 3.12Å; L74-D77 WeakPolarHBondContact O-CB 3.32Å; L74-D77 PolarHBondContact O-N 2.92Å | ||
| 75 | E | 55.6 | Low | 60.4 | Low | 165 Ų | 165 | 118.1 Ų | 118.1 | 77% | 0.771 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -53.6 | -26.1 | 179.8 | -66.3 | -174.5 | 151.1 | 0 | 0 | 113.4 | V73 D77 I78 S79 | V73-E75 PolarHBondContact O-N 2.91Å; E75-D77 VanDerWaalsContact C-N 3.3Å; E75-D77 PolarHBondContact O-N 3.15Å; E75-I78 PolarHBondContact O-N 3.33Å; E75-S79 PolarHBondContact O-N 2.92Å; E75-S79 PolarHBondContact O-OG 3.27Å |
| 76 | A | 58 | Low | 62 | Low | 66 Ų | 66 | 111.9 Ų | 111.9 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -57.9 | -40.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L74 S79 V80 | L74-A76 PolarHBondContact O-N 3.12Å; A76-S79 WeakPolarHBondContact O-CB 3.44Å; A76-S79 PolarHBondContact O-N 2.96Å; A76-V80 VanDerWaalsContact O-CG2 3.28Å; A76-V80 WeakPolarHBondContact O-CG2 3.49Å; A76-V80 PolarHBondContact O-N 3.44Å |
| 77 | D | 66.9 | Low | 63.9 | Low | 92 Ų | 92 | 115.5 Ų | 115.5 | 49% | 0.492 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69 | -36.8 | 179.7 | -75.5 | -25.4 | 0 | 0 | 0 | 112.2 | V73 L74 E75 S79 V80 A81 | V73-D77 HydrophobicContact CG1-CB 4.03Å; L74-D77 WeakPolarHBondContact O-CB 3.32Å; L74-D77 PolarHBondContact O-N 2.92Å; E75-D77 VanDerWaalsContact C-N 3.3Å; E75-D77 PolarHBondContact O-N 3.15Å; D77-S79 VanDerWaalsContact C-N 3.34Å; D77-S79 PolarHBondContact O-N 2.79Å; D77-V80 PolarHBondContact O-N 2.98Å; D77-A81 VanDerWaalsContact O-CB 3.31Å; D77-A81 WeakPolarHBondContact O-CB 3.36Å; D77-A81 PolarHBondContact O-N 3.19Å |
| 78 | I | 68.4 | Low | 65.4 | Low | 80 Ų | 80 | 117.1 Ų | 117.1 | 41% | 0.41 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61.6 | -47.4 | 174.8 | -60 | 177.2 | 0 | 0 | 0 | 109.4 | V73 E75 V80 A81 F82 | V73-I78 HydrophobicContact CG1-CD1 4.41Å; V73-I78 HydrophobicContact CG1-CG1 3.81Å; E75-I78 PolarHBondContact O-N 3.33Å; I78-V80 VanDerWaalsContact C-N 3.35Å; I78-V80 PolarHBondContact O-N 3.04Å; I78-A81 WeakPolarHBondContact O-CB 3.09Å; I78-A81 PolarHBondContact O-N 2.87Å; I78-F82 HydrophobicContact CG2-CD2 3.63Å; I78-F82 HydrophobicContact CG2-CE2 3.43Å; I78-F82 VanDerWaalsContact CG2-CE2 3.43Å; I78-F82 WeakPolarHBondContact O-CD2 3.44Å; I78-F82 PolarHBondContact O-N 2.78Å |
| 79 | S | 71.2 | Confident | 67.2 | Low | 70 Ų | 70 | 119.6 Ų | 119.6 | 49% | 0.49 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.1 | -41.9 | 177.7 | -67.5 | 0 | 0 | 0 | 0 | 112.3 | E75 A76 D77 F82 R83 | E75-S79 PolarHBondContact O-N 2.92Å; E75-S79 PolarHBondContact O-OG 3.27Å; A76-S79 WeakPolarHBondContact O-CB 3.44Å; A76-S79 PolarHBondContact O-N 2.96Å; D77-S79 VanDerWaalsContact C-N 3.34Å; D77-S79 PolarHBondContact O-N 2.79Å; S79-F82 PolarHBondContact O-N 3.2Å; S79-R83 WeakPolarHBondContact O-CG 3.5Å; S79-R83 PolarHBondContact O-N 3.45Å |
| 80 | V | 77.7 | Confident | 68.6 | Low | 87 Ų | 87 | 123.1 Ų | 123.1 | 53% | 0.527 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.6 | -42.3 | 175 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | A76 D77 I78 F82 R83 K84 | A76-V80 VanDerWaalsContact O-CG2 3.28Å; A76-V80 WeakPolarHBondContact O-CG2 3.49Å; A76-V80 PolarHBondContact O-N 3.44Å; D77-V80 PolarHBondContact O-N 2.98Å; I78-V80 VanDerWaalsContact C-N 3.35Å; I78-V80 PolarHBondContact O-N 3.04Å; V80-F82 PolarHBondContact O-N 3.17Å; V80-R83 PolarHBondContact O-N 2.77Å; V80-K84 WeakPolarHBondContact O-CB 3.27Å; V80-K84 PolarHBondContact O-N 2.7Å |
| 81 | A | 73.7 | Confident | 69.6 | Low | 59 Ų | 59 | 121.5 Ų | 121.5 | 49% | 0.488 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.1 | -43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D77 I78 K84 K85 | D77-A81 VanDerWaalsContact O-CB 3.31Å; D77-A81 WeakPolarHBondContact O-CB 3.36Å; D77-A81 PolarHBondContact O-N 3.19Å; I78-A81 WeakPolarHBondContact O-CB 3.09Å; I78-A81 PolarHBondContact O-N 2.87Å; A81-K84 PolarHBondContact O-N 3.45Å; A81-K85 WeakPolarHBondContact O-CB 3.41Å; A81-K85 PolarHBondContact O-N 2.92Å |
| 82 | F | 75.3 | Confident | 70.6 | Confident | 139 Ų | 139 | 124 Ų | 124 | 61% | 0.61 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.7 | -43.6 | 174.8 | -83.4 | -70.6 | 0 | 0 | 0 | 112.1 | I78 S79 V80 K84 K85 A86 | I78-F82 HydrophobicContact CG2-CD2 3.63Å; I78-F82 HydrophobicContact CG2-CE2 3.43Å; I78-F82 VanDerWaalsContact CG2-CE2 3.43Å; I78-F82 WeakPolarHBondContact O-CD2 3.44Å; I78-F82 PolarHBondContact O-N 2.78Å; S79-F82 PolarHBondContact O-N 3.2Å; V80-F82 PolarHBondContact O-N 3.17Å; F82-K84 PolarHBondContact O-N 2.88Å; F82-K85 PolarHBondContact O-N 2.81Å; F82-A86 WeakPolarHBondContact O-CB 3.13Å; F82-A86 PolarHBondContact O-N 3.42Å |
| 83 | R | 78.3 | Confident | 70.9 | Confident | 201 Ų | 201 | 121.9 Ų | 121.9 | 76% | 0.758 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60.6 | -43.4 | 174.8 | -76 | -178.8 | -179.8 | -166.3 | 2.1 | 111.7 | S79 V80 A86 R87 | S79-R83 WeakPolarHBondContact O-CG 3.5Å; S79-R83 PolarHBondContact O-N 3.45Å; V80-R83 PolarHBondContact O-N 2.77Å; R83-A86 PolarHBondContact O-N 3.1Å; R83-R87 WeakPolarHBondContact O-CB 3.32Å; R83-R87 PolarHBondContact O-N 3.07Å |
| 84 | K | 82 | Confident | 71.5 | Confident | 133 Ų | 133 | 126.8 Ų | 126.8 | 58% | 0.578 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.9 | -42.4 | 177.3 | -162.4 | 172.3 | -175 | 174.9 | 0 | 111.5 | V80 A81 F82 R87 R88 | V80-K84 WeakPolarHBondContact O-CB 3.27Å; V80-K84 PolarHBondContact O-N 2.7Å; A81-K84 PolarHBondContact O-N 3.45Å; F82-K84 PolarHBondContact O-N 2.88Å; K84-R87 PolarHBondContact O-N 3.34Å; K84-R88 WeakPolarHBondContact O-CG 3.28Å; K84-R88 PolarHBondContact O-N 2.79Å; K84-R88 VanDerWaalsContact O-N 3.07Å |
| 85 | K | 83.6 | Confident | 71.8 | Confident | 122 Ų | 122 | 127.5 Ų | 127.5 | 53% | 0.53 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.3 | -43.2 | 176.1 | -168 | 170.3 | -175.1 | 173.1 | 0 | 112 | A81 F82 R88 R89 | A81-K85 WeakPolarHBondContact O-CB 3.41Å; A81-K85 PolarHBondContact O-N 2.92Å; F82-K85 PolarHBondContact O-N 2.81Å; K85-R88 PolarHBondContact O-N 3.15Å; K85-R89 PolarHBondContact O-N 3.33Å; K85-R89 VanDerWaalsContact O-N 3.14Å |
| 86 | A | 78.8 | Confident | 71.7 | Confident | 46 Ų | 46 | 124.2 Ų | 124.2 | 38% | 0.38 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.2 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F82 R83 R89 R90 | F82-A86 WeakPolarHBondContact O-CB 3.13Å; F82-A86 PolarHBondContact O-N 3.42Å; R83-A86 PolarHBondContact O-N 3.1Å; A86-R89 PolarHBondContact O-N 3.17Å; A86-R90 PolarHBondContact O-N 2.88Å; A86-R90 VanDerWaalsContact O-N 3.09Å |
| 87 | R | 81.2 | Confident | 71.6 | Confident | 185 Ų | 185 | 125.2 Ų | 125.2 | 70% | 0.698 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.9 | -44.7 | 175.4 | -171.7 | 176.1 | 178.4 | 173.1 | -0.7 | 111.9 | R83 K84 R89 R90 L91 | R83-R87 WeakPolarHBondContact O-CB 3.32Å; R83-R87 PolarHBondContact O-N 3.07Å; K84-R87 PolarHBondContact O-N 3.34Å; R87-R89 VanDerWaalsContact C-N 3.34Å; R87-R89 PolarHBondContact O-N 3.37Å; R87-R90 PolarHBondContact O-N 3.32Å; R87-L91 HydrophobicContact CG-CD1 4.25Å; R87-L91 PolarHBondContact O-N 3Å |
| 88 | R | 78.9 | Confident | 70.7 | Confident | 160 Ų | 160 | 129.3 Ų | 129.3 | 60% | 0.604 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -59 | -41 | 175.2 | -73.2 | 178.3 | 177.5 | -170.6 | -1.2 | 112.5 | K84 K85 L91 K92 | K84-R88 WeakPolarHBondContact O-CG 3.28Å; K84-R88 PolarHBondContact O-N 2.79Å; K84-R88 VanDerWaalsContact O-N 3.07Å; K85-R88 PolarHBondContact O-N 3.15Å; R88-L91 PolarHBondContact O-N 3.17Å; R88-K92 PolarHBondContact O-N 2.98Å |
| 89 | R | 76.5 | Confident | 69.5 | Low | 165 Ų | 165 | 134.5 Ų | 134.5 | 62% | 0.623 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.4 | -39.7 | 176.2 | -72.1 | 179.2 | 174.9 | -179.2 | -2.6 | 112.4 | K85 A86 R87 K93 | K85-R89 PolarHBondContact O-N 3.33Å; K85-R89 VanDerWaalsContact O-N 3.14Å; A86-R89 PolarHBondContact O-N 3.17Å; R87-R89 VanDerWaalsContact C-N 3.34Å; R87-R89 PolarHBondContact O-N 3.37Å; R89-K93 PolarHBondContact O-N 2.97Å; R89-K93 VanDerWaalsContact O-N 3.07Å |
| 90 | R | 76.3 | Confident | 68.2 | Low | 192 Ų | 192 | 137 Ų | 137 | 73% | 0.725 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66 | -40.1 | 175.4 | -69.9 | -179 | 179.6 | -177.8 | 0.5 | 112.1 | A86 R87 K93 R94 | A86-R90 PolarHBondContact O-N 2.88Å; A86-R90 VanDerWaalsContact O-N 3.09Å; R87-R90 PolarHBondContact O-N 3.32Å; R90-K93 PolarHBondContact O-N 3.43Å; R90-R94 PolarHBondContact O-N 3.5Å; R90-R94 VanDerWaalsContact O-N 3.1Å |
| 91 | L | 73 | Confident | 66.5 | Low | 97 Ų | 97 | 137.3 Ų | 137.3 | 51% | 0.508 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -64.2 | -46.5 | 175.9 | -74.6 | 163.1 | 0 | 0 | 0 | 111.6 | R87 R88 K93 R94 V95 | R87-L91 HydrophobicContact CG-CD1 4.25Å; R87-L91 PolarHBondContact O-N 3Å; R88-L91 PolarHBondContact O-N 3.17Å; L91-K93 VanDerWaalsContact C-N 3.32Å; L91-K93 PolarHBondContact O-N 3.18Å; L91-R94 PolarHBondContact O-N 3.2Å; L91-R94 VanDerWaalsContact O-N 3.08Å; L91-V95 WeakPolarHBondContact O-CG2 3.18Å; L91-V95 PolarHBondContact O-N 3.3Å |
| 92 | K | 69.2 | Low | 65.1 | Low | 162 Ų | 162 | 146.6 Ų | 146.6 | 70% | 0.704 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -59.6 | -40.6 | 175.5 | -74 | -170.1 | 176.9 | -169.3 | 0 | 112.6 | R88 R94 V95 S96 | R88-K92 PolarHBondContact O-N 2.98Å; K92-R94 VanDerWaalsContact C-N 3.31Å; K92-R94 PolarHBondContact O-N 2.82Å; K92-V95 PolarHBondContact O-N 3.49Å; K92-S96 PolarHBondContact O-N 3.36Å; K92-S96 PolarHBondContact O-OG 3.33Å |
| 93 | K | 64.5 | Low | 63.4 | Low | 155 Ų | 155 | 145.9 Ų | 145.9 | 67% | 0.674 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -62.6 | -35.9 | 174.5 | -77.6 | -171.2 | 177.7 | -172.1 | 0 | 113 | R89 R90 L91 S96 S97 | R89-K93 PolarHBondContact O-N 2.97Å; R89-K93 VanDerWaalsContact O-N 3.07Å; R90-K93 PolarHBondContact O-N 3.43Å; L91-K93 VanDerWaalsContact C-N 3.32Å; L91-K93 PolarHBondContact O-N 3.18Å; K93-S96 WeakPolarHBondContact CA-OG 3.49Å; K93-S96 PolarHBondContact O-OG 3.35Å; K93-S96 VanDerWaalsContact O-OG 3.1Å; K93-S97 VanDerWaalsContact O-CB 3.27Å; K93-S97 WeakPolarHBondContact O-CB 3.31Å; K93-S97 PolarHBondContact O-N 3.44Å; K93-S97 PolarHBondContact O-OG 3.32Å; K93-S97 VanDerWaalsContact O-OG 3.09Å |
| 94 | R | 60.3 | Low | 61.5 | Low | 189 Ų | 189 | 140.5 Ų | 140.5 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -70.4 | -36.7 | 175.8 | -73.6 | -175.3 | 176.5 | -162.2 | -1.1 | 112.5 | R90 L91 K92 S97 K98 | R90-R94 PolarHBondContact O-N 3.5Å; R90-R94 VanDerWaalsContact O-N 3.1Å; L91-R94 PolarHBondContact O-N 3.2Å; L91-R94 VanDerWaalsContact O-N 3.08Å; K92-R94 VanDerWaalsContact C-N 3.31Å; K92-R94 PolarHBondContact O-N 2.82Å; R94-S97 WeakPolarHBondContact CA-OG 3.48Å; R94-S97 PolarHBondContact O-OG 3.5Å; R94-K98 PolarHBondContact O-N 2.88Å |
| 95 | V | 57.6 | Low | 59.6 | Low | 112 Ų | 112 | 144.3 Ų | 144.3 | 68% | 0.679 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -68.1 | -40.6 | 174.2 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | L91 K92 | L91-V95 WeakPolarHBondContact O-CG2 3.18Å; L91-V95 PolarHBondContact O-N 3.3Å; K92-V95 PolarHBondContact O-N 3.49Å |
| 96 | S | 55.4 | Low | 57.4 | Low | 96 Ų | 96 | 147.7 Ų | 147.7 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -75.9 | -21.7 | 178 | 72.3 | 0 | 0 | 0 | 0 | 114 | K92 K93 | K92-S96 PolarHBondContact O-N 3.36Å; K92-S96 PolarHBondContact O-OG 3.33Å; K93-S96 WeakPolarHBondContact CA-OG 3.49Å; K93-S96 PolarHBondContact O-OG 3.35Å; K93-S96 VanDerWaalsContact O-OG 3.1Å |
| 97 | S | 55.6 | Low | 55.4 | Low | 88 Ų | 88 | 150.6 Ų | 150.6 | 62% | 0.615 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -86.5 | -13.3 | 176.5 | 67 | 0 | 0 | 0 | 0 | 113.7 | K93 R94 K99 | K93-S97 VanDerWaalsContact O-CB 3.27Å; K93-S97 WeakPolarHBondContact O-CB 3.31Å; K93-S97 PolarHBondContact O-N 3.44Å; K93-S97 PolarHBondContact O-OG 3.32Å; K93-S97 VanDerWaalsContact O-OG 3.09Å; R94-S97 WeakPolarHBondContact CA-OG 3.48Å; R94-S97 PolarHBondContact O-OG 3.5Å; S97-K99 VanDerWaalsContact C-N 3.3Å; S97-K99 PolarHBondContact O-N 3.43Å |
| 98 | K | 48 | Very low | 53.5 | Low | 177 Ų | 177 | 149.6 Ų | 149.6 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -73.5 | 95.7 | 160.1 | -85.3 | -172.4 | 174.7 | -174.8 | 0 | 106.5 | R94 | R94-K98 PolarHBondContact O-N 2.88Š|
| 99 | K | 43.5 | Very low | 51.6 | Low | 190 Ų | 190 | 146.2 Ų | 146.2 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | trans | -40.8 | 132.9 | 165.1 | -79.8 | 177.8 | 174.4 | 179.6 | 0 | 108.2 | S97 S101 | S97-K99 VanDerWaalsContact C-N 3.3Å; S97-K99 PolarHBondContact O-N 3.43Å; K99-S101 PolarHBondContact O-N 2.92Å | ||
| 100 | P | 43.5 | Very low | 50 | Low | 122 Ų | 122 | 144.3 Ų | 144.3 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | trans | -62 | 105.3 | 179 | 26 | -32.1 | 0 | 0 | 0 | 107.5 | R102 | P100-R102 PolarHBondContact O-N 3.31Å; P100-R102 VanDerWaalsContact O-N 3.14Å | ||
| 101 | S | 41.8 | Very low | 48.2 | Very low | 94 Ų | 94 | 140 Ų | 140 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | trans | -57.7 | 118.2 | 156.3 | 52.2 | 0 | 0 | 0 | 0 | 105.1 | K99 V103 | K99-S101 PolarHBondContact O-N 2.92Å; S101-V103 VanDerWaalsContact C-N 3.26Å; S101-V103 PolarHBondContact O-N 3.27Å | ||
| 102 | R | 42.9 | Very low | 46.6 | Very low | 254 Ų | 254 | 143.4 Ų | 143.4 | 96% | 0.958 | 77% | 0.772 | S | S | * | * | trans | -49.7 | 96.7 | 166 | -81.8 | 178.6 | 169.8 | -174.4 | -3.4 | 107.6 | P100 | P100-R102 PolarHBondContact O-N 3.31Å; P100-R102 VanDerWaalsContact O-N 3.14Å | ||
| 103 | V | 40.8 | Very low | 45.2 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | trans | -118.3 | 119.7 | 161.3 | -179 | 0 | 0 | 0 | 0 | 104.3 | S101 | S101-V103 VanDerWaalsContact C-N 3.26Å; S101-V103 PolarHBondContact O-N 3.27Å | ||
| 104 | A | 38.4 | Very low | 44.1 | Very low | 89 Ų | 89 | 142.9 Ų | 142.9 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -52.1 | 141.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K106 | A104-K106 PolarHBondContact O-N 3.43Š| ||
| 105 | K | 41.5 | Very low | 43.2 | Very low | 212 Ų | 212 | 138.1 Ų | 138.1 | 92% | 0.922 | 78% | 0.779 | S | S | * | * | trans | -46.8 | 107.2 | 164.5 | -70.3 | 172.3 | 173.3 | 179.1 | 0 | 108.9 | ||||
| 106 | K | 38.5 | Very low | 42.5 | Very low | 194 Ų | 194 | 137.8 Ų | 137.8 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -106.2 | 110.7 | 151.9 | -123.1 | 174.2 | -178.8 | 180 | 0 | 105.5 | A104 L108 | A104-K106 PolarHBondContact O-N 3.43Å; K106-L108 PolarHBondContact O-N 3.44Å | ||
| 107 | A | 36.4 | Very low | 41.9 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | trans | -58.7 | 104.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 108 | L | 40.3 | Very low | 41.4 | Very low | 165 Ų | 165 | 143.4 Ų | 143.4 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 122.4 | 157.5 | -86.4 | 123.4 | 0 | 0 | 0 | 106.2 | K106 | K106-L108 PolarHBondContact O-N 3.44Š|
| 109 | A | 39.1 | Very low | 41.3 | Very low | 88 Ų | 88 | 140.3 Ų | 140.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 148.9 | -177 | 0 | 0 | 0 | 0 | 0 | 112.1 | A111 | A109-A111 PolarHBondContact O-N 3.37Š|
| 110 | P | 43 | Very low | 41.8 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 123.5 | -178.8 | 23.5 | -31.7 | 0 | 0 | 0 | 110.3 | E112 | P110-E112 PolarHBondContact O-N 3.45Š|
| 111 | A | 39.1 | Very low | 42 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 134.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | A109 | A109-A111 PolarHBondContact O-N 3.37Š|
| 112 | E | 40.4 | Very low | 42.4 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 140 | -174 | -64.5 | 177.4 | 156.4 | 0 | 0 | 112.8 | P110 F114 | P110-E112 PolarHBondContact O-N 3.45Å; E112-F114 PolarHBondContact O-N 2.97Å |
| 113 | S | 39.8 | Very low | 42.7 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -53.8 | 112.8 | 167.2 | 48.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 114 | F | 40.7 | Very low | 43.3 | Very low | 196 Ų | 196 | 134.9 Ų | 134.9 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -88.6 | 87 | 146.5 | -67 | -79.2 | 0 | 0 | 0 | 106.1 | E112 | E112-F114 PolarHBondContact O-N 2.97Š| ||
| 115 | S | 41.6 | Very low | 43.6 | Very low | 89 Ų | 89 | 141.9 Ų | 141.9 | 62% | 0.622 | 80% | 0.795 | S | S | * | * | 62.8 | 111.5 | 88.3 | 85.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 116 | S | 43 | Very low | 44 | Very low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | 63.6 | 79.5 | 143.3 | -163.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 117 | F | 42.1 | Very low | 44.6 | Very low | 193 Ų | 193 | 135.9 Ų | 135.9 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -115.7 | 130 | 135.4 | -79.9 | -83.1 | 0 | 0 | 0 | 107.3 | S119 | F117-S119 PolarHBondContact O-N 2.96Š| ||
| 118 | P | 45.1 | Very low | 44.9 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | trans | -64.1 | 105.3 | 173.9 | 26.2 | -31.7 | 0 | 0 | 0 | 108 | V120 | P118-V120 VanDerWaalsContact C-N 3.28Å; P118-V120 PolarHBondContact O-N 2.72Å | ||
| 119 | S | 45.5 | Very low | 45.4 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -68.2 | 90.3 | 170.1 | 43.9 | 0 | 0 | 0 | 0 | 108 | F117 P121 | F117-S119 PolarHBondContact O-N 2.96Å; S119-P121 VanDerWaalsContact O-CD 3.29Å; S119-P121 WeakPolarHBondContact O-CD 3.23Å | ||
| 120 | V | 54.1 | Low | 45.2 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 70% | 0.697 | 78% | 0.776 | S | S | * | * | trans | -63.7 | 117.7 | 168.5 | -179.5 | 0 | 0 | 0 | 0 | 107 | P118 I122 | P118-V120 VanDerWaalsContact C-N 3.28Å; P118-V120 PolarHBondContact O-N 2.72Å; V120-I122 PolarHBondContact O-N 3.46Å | ||
| 121 | P | 48.1 | Very low | 45.3 | Very low | 114 Ų | 114 | 141 Ų | 141 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | trans | -68.8 | 103.8 | 179.9 | 26.6 | -31.8 | 0 | 0 | 0 | 109.1 | S119 K123 | S119-P121 VanDerWaalsContact O-CD 3.29Å; S119-P121 WeakPolarHBondContact O-CD 3.23Å; P121-K123 PolarHBondContact O-N 3.46Å | ||
| 122 | I | 50.1 | Low | 45.5 | Very low | 159 Ų | 159 | 145 Ų | 145 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | trans | -72.6 | 99.4 | 171.9 | -56.2 | 172.3 | 0 | 0 | 0 | 106.8 | V120 A124 | V120-I122 PolarHBondContact O-N 3.46Å; I122-A124 PolarHBondContact O-N 3.33Å | ||
| 123 | K | 50.1 | Low | 45.3 | Very low | 193 Ų | 193 | 142.3 Ų | 142.3 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -62.8 | 115 | 165.6 | -76.7 | -176.8 | 178.7 | 178.8 | 0 | 107.7 | P121 R125 | P121-K123 PolarHBondContact O-N 3.46Å; K123-R125 PolarHBondContact O-N 3.17Å | ||
| 124 | A | 53 | Low | 45.2 | Very low | 88 Ų | 88 | 146.7 Ų | 146.7 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -59.8 | 119.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | I122 T126 | I122-A124 PolarHBondContact O-N 3.33Å; A124-T126 PolarHBondContact O-N 2.78Å | ||
| 125 | R | 45.3 | Very low | 45.1 | Very low | 236 Ų | 236 | 140.2 Ų | 140.2 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | trans | -75.4 | 115.5 | 172.7 | -69.6 | -177.3 | 177.3 | -179.8 | -1.8 | 108.2 | K123 I127 | K123-R125 PolarHBondContact O-N 3.17Å; R125-I127 PolarHBondContact O-N 3.16Å | ||
| 126 | T | 49.6 | Very low | 45.1 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -74.3 | 108.7 | 172.1 | -47.5 | 0 | 0 | 0 | 0 | 108.2 | A124 T128 | A124-T126 PolarHBondContact O-N 2.78Å; T126-T128 PolarHBondContact O-N 2.78Å | ||
| 127 | I | 50.3 | Low | 45 | Very low | 150 Ų | 150 | 147.9 Ų | 147.9 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -83.9 | 108.1 | 171.8 | -56.4 | 173.1 | 0 | 0 | 0 | 106.8 | R125 V129 | R125-I127 PolarHBondContact O-N 3.16Å; I127-V129 PolarHBondContact O-N 3.35Å | ||
| 128 | T | 43.2 | Very low | 44.5 | Very low | 115 Ų | 115 | 144 Ų | 144 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -77.5 | 112.9 | 170.5 | 46.8 | 0 | 0 | 0 | 0 | 108.8 | T126 Q130 | T126-T128 PolarHBondContact O-N 2.78Å; T128-Q130 PolarHBondContact O-N 2.82Å | ||
| 129 | V | 50.2 | Low | 43.9 | Very low | 131 Ų | 131 | 144 Ų | 144 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -75.3 | 107.7 | 171.9 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | I127 K131 | I127-V129 PolarHBondContact O-N 3.35Å; V129-K131 PolarHBondContact O-N 3Å | ||
| 130 | Q | 36.2 | Very low | 43.2 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | trans | -68 | 121.6 | 168.5 | -70.6 | -175.2 | -4.1 | 0 | 0 | 107.8 | T128 E132 | T128-Q130 PolarHBondContact O-N 2.82Å; Q130-E132 PolarHBondContact O-N 2.87Å | ||
| 131 | K | 44.7 | Very low | 42.6 | Very low | 184 Ų | 184 | 146.7 Ų | 146.7 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | -89.3 | 92.7 | 177.9 | -162.4 | -178.3 | -175.7 | -171 | 0 | 106.2 | V129 T133 | V129-K131 PolarHBondContact O-N 3Å; K131-T133 PolarHBondContact O-N 3.42Å; K131-T133 VanDerWaalsContact O-N 3.13Å | ||
| 132 | E | 41.9 | Very low | 41.9 | Very low | 183 Ų | 183 | 149 Ų | 149 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -65.6 | 110.1 | 171.3 | -68.6 | -177.2 | 169.6 | 0 | 0 | 108 | Q130 | Q130-E132 PolarHBondContact O-N 2.87Š| ||
| 133 | T | 37.4 | Very low | 41.6 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 69% | 0.693 | 78% | 0.775 | S | S | * | * | trans | -99.5 | 99.6 | 170.4 | 47.2 | 0 | 0 | 0 | 0 | 107.2 | K131 | K131-T133 PolarHBondContact O-N 3.42Å; K131-T133 VanDerWaalsContact O-N 3.13Å | ||
| 134 | E | 38 | Very low | 41.3 | Very low | 201 Ų | 201 | 144.9 Ų | 144.9 | 94% | 0.939 | 77% | 0.772 | S | S | * | * | trans | -170.1 | 102.3 | 154.2 | -107.2 | 165.1 | -143.4 | 0 | 0 | 107.8 | ||||
| 135 | G | 38.8 | Very low | 40.7 | Very low | 61 Ų | 61 | 147.3 Ų | 147.3 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 137.6 | 101.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | F137 | G135-F137 PolarHBondContact O-N 2.94Š|
| 136 | D | 39.8 | Very low | 41 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | trans | -62.2 | 38 | 179 | -93.1 | -29.9 | 0 | 0 | 0 | 114.7 | S138 | D136-S138 VanDerWaalsContact C-N 3.27Å; D136-S138 PolarHBondContact O-N 3.35Å | ||
| 137 | F | 41.6 | Very low | 41 | Very low | 191 Ų | 191 | 145.1 Ų | 145.1 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -77.2 | 89.7 | 161.6 | -67.6 | -74.4 | 0 | 0 | 0 | 107.7 | G135 C139 | G135-F137 PolarHBondContact O-N 2.94Å; F137-C139 PolarHBondContact O-N 3.47Å | ||
| 138 | S | 31.3 | Very low | 41.4 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | -60.4 | 68.8 | 162 | -66.5 | 0 | 0 | 0 | 0 | 109.6 | D136 S140 | D136-S138 VanDerWaalsContact C-N 3.27Å; D136-S138 PolarHBondContact O-N 3.35Å; S138-S140 PolarHBondContact O-N 2.94Å | ||
| 139 | C | 33.6 | Very low | 41.6 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | trans | -80.5 | 78.7 | 172.9 | -163.2 | 0 | 0 | 0 | 0 | 106.7 | F137 F141 | F137-C139 PolarHBondContact O-N 3.47Å; C139-F141 VanDerWaalsContact C-N 3.34Å; C139-F141 PolarHBondContact O-N 3Å | ||
| 140 | S | 31.2 | Very low | 41.4 | Very low | 101 Ų | 101 | 143.2 Ų | 143.2 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | -66 | 98.7 | 168.1 | 53.5 | 0 | 0 | 0 | 0 | 108 | S138 E142 | S138-S140 PolarHBondContact O-N 2.94Å; S140-E142 PolarHBondContact O-N 3.41Å | ||
| 141 | F | 40.8 | Very low | 41.8 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | trans | -70.2 | 90.1 | 165.4 | -161.2 | -93.9 | 0 | 0 | 0 | 106.5 | C139 P143 | C139-F141 VanDerWaalsContact C-N 3.34Å; C139-F141 PolarHBondContact O-N 3Å; F141-P143 WeakPolarHBondContact O-CD 3.4Å | ||
| 142 | E | 33.1 | Very low | 42.1 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | trans | -78.2 | 104.1 | 164.9 | -80.4 | -140.7 | 151.3 | 0 | 0 | 108 | S140 K144 | S140-E142 PolarHBondContact O-N 3.41Å; E142-K144 VanDerWaalsContact C-N 3.28Å; E142-K144 PolarHBondContact O-N 3.32Å | ||
| 143 | P | 43.4 | Very low | 42.5 | Very low | 87 Ų | 87 | 131 Ų | 131 | 57% | 0.565 | 73% | 0.729 | S | S | * | * | trans | -64.2 | 97.8 | 167.4 | 28.3 | -34 | 0 | 0 | 0 | 106.9 | F141 N145 | F141-P143 WeakPolarHBondContact O-CD 3.4Å; P143-N145 PolarHBondContact O-N 3.45Å; P143-N145 PolarHBondContact O-ND2 2.86Å | ||
| 144 | K | 44.8 | Very low | 43.6 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 77% | 0.774 | 73% | 0.732 | S | S | * | * | trans | -53.7 | 106.9 | 168.5 | -79.3 | 179.1 | 178.8 | 170.7 | 0 | 106.5 | E142 L146 | E142-K144 VanDerWaalsContact C-N 3.28Å; E142-K144 PolarHBondContact O-N 3.32Å; K144-L146 PolarHBondContact O-N 2.9Å | ||
| 145 | N | 40.3 | Very low | 44.1 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | trans | -64.6 | 79.8 | 173.4 | -91.5 | -86.6 | 0 | 0 | 0 | 108 | P143 K147 | P143-N145 PolarHBondContact O-N 3.45Å; P143-N145 PolarHBondContact O-ND2 2.86Å; N145-K147 PolarHBondContact O-N 3.07Å | ||
| 146 | L | 50.8 | Low | 44.3 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | trans | -71.9 | 82.5 | 168.8 | -74.2 | 166.5 | 0 | 0 | 0 | 106.9 | K144 D148 Q149 | K144-L146 PolarHBondContact O-N 2.9Å; L146-D148 PolarHBondContact O-N 3.42Å; L146-Q149 PolarHBondContact O-N 3.35Å | ||
| 147 | K | 50 | Low | 44.5 | Very low | 190 Ų | 190 | 131.3 Ų | 131.3 | 83% | 0.826 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | 3.1 | 179.9 | -80.7 | -178.6 | 175.2 | 176.8 | 0 | 115.1 | N145 | N145-K147 PolarHBondContact O-N 3.07Š|
| 148 | D | 57.6 | Low | 44.5 | Very low | 162 Ų | 162 | 127.1 Ų | 127.1 | 87% | 0.866 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.9 | 6 | -176.6 | -66.9 | -39.5 | 0 | 0 | 0 | 114.8 | L146 | L146-D148 PolarHBondContact O-N 3.42Š|
| 149 | Q | 48 | Very low | 44.9 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 50% | 0.495 | 72% | 0.719 | S | S | . | * | S | Bend | trans | -89.1 | 131.7 | 168 | -103.1 | -164 | -0.2 | 0 | 0 | 111.5 | L146 T153 | L146-Q149 PolarHBondContact O-N 3.35Å; Q149-T153 VanDerWaalsContact CD-CG2 3.49Å; Q149-T153 HydrophobicContact CG-CG2 4.38Å; Q149-T153 VanDerWaalsContact NE2-CG2 3.31Å; Q149-T153 VanDerWaalsContact OE1-CB 3.24Å |
| 150 | P | 46.4 | Very low | 45.2 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 58% | 0.578 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -63 | 142.4 | 174.3 | 25.9 | -31.3 | 0 | 0 | 0 | 109.8 | G152 T153 | P150-G152 PolarHBondContact O-N 3.36Å; P150-T153 PolarHBondContact O-N 3.13Å; P150-T153 PolarHBondContact O-OG1 3.22Å |
| 151 | P | 45.5 | Very low | 45.6 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 91% | 0.909 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | 130.4 | 179.6 | 19.2 | -30 | 0 | 0 | 0 | 110.9 | ||
| 152 | G | 49.7 | Very low | 45.4 | Very low | 71 Ų | 71 | 130.7 Ų | 130.7 | 73% | 0.732 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.1 | 13 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | P150 F154 | P150-G152 PolarHBondContact O-N 3.36Å; G152-F154 PolarHBondContact O-N 2.98Å |
| 153 | T | 51 | Low | 45.6 | Very low | 62 Ų | 62 | 133.1 Ų | 133.1 | 38% | 0.38 | 73% | 0.73 | S | S | . | * | trans | -87.5 | 95.4 | 174 | -45 | 0 | 0 | 0 | 0 | 109.2 | Q149 P150 G155 | Q149-T153 VanDerWaalsContact CD-CG2 3.49Å; Q149-T153 HydrophobicContact CG-CG2 4.38Å; Q149-T153 VanDerWaalsContact NE2-CG2 3.31Å; Q149-T153 VanDerWaalsContact OE1-CB 3.24Å; P150-T153 PolarHBondContact O-N 3.13Å; P150-T153 PolarHBondContact O-OG1 3.22Å; T153-G155 PolarHBondContact O-N 3.5Å | ||
| 154 | F | 59.1 | Low | 45.1 | Very low | 174 Ų | 174 | 137.2 Ų | 137.2 | 76% | 0.763 | 75% | 0.747 | S | S | * | * | trans | -71.1 | 119.7 | 163.3 | -75.5 | -91.4 | 0 | 0 | 0 | 107.3 | G152 F156 | G152-F154 PolarHBondContact O-N 2.98Å; F154-F156 VanDerWaalsContact C-N 3.25Å; F154-F156 HydrophobicContact CB-CD2 4.38Å; F154-F156 HydrophobicContact CB-CE2 4.43Å; F154-F156 PolarHBondContact O-N 2.81Å | ||
| 155 | G | 48.7 | Very low | 44.7 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | -66.8 | 89.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | T153 S157 | T153-G155 PolarHBondContact O-N 3.5Å; G155-S157 PolarHBondContact O-N 3.08Å; G155-S157 VanDerWaalsContact O-N 3.12Å | ||
| 156 | F | 43.9 | Very low | 44.3 | Very low | 192 Ų | 192 | 134.3 Ų | 134.3 | 84% | 0.842 | 75% | 0.747 | S | S | * | * | trans | -62.7 | 114.5 | 166.9 | -93 | -92.1 | 0 | 0 | 0 | 107.2 | F154 | F154-F156 VanDerWaalsContact C-N 3.25Å; F154-F156 HydrophobicContact CB-CD2 4.38Å; F154-F156 HydrophobicContact CB-CE2 4.43Å; F154-F156 PolarHBondContact O-N 2.81Å | ||
| 157 | S | 43.5 | Very low | 43.4 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 136.5 | 163.3 | -167.5 | 0 | 0 | 0 | 0 | 108.2 | G155 | G155-S157 PolarHBondContact O-N 3.08Å; G155-S157 VanDerWaalsContact O-N 3.12Å |
| 158 | P | 42.8 | Very low | 42.8 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 66% | 0.662 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 151.1 | -169.5 | 20.7 | -32.1 | 0 | 0 | 0 | 112.3 | L160 | P158-L160 PolarHBondContact O-N 3.42Å; P158-L160 VanDerWaalsContact O-N 3.15Å |
| 159 | P | 39.3 | Very low | 42 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 121.9 | -172.8 | 22.3 | -31.3 | 0 | 0 | 0 | 110 | D161 | P159-D161 PolarHBondContact O-N 2.93Š|
| 160 | L | 40.4 | Very low | 41.2 | Very low | 161 Ų | 161 | 133 Ų | 133 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | -61.7 | 102.5 | 167.4 | -76.6 | 153.3 | 0 | 0 | 0 | 107 | P158 L162 | P158-L160 PolarHBondContact O-N 3.42Å; P158-L160 VanDerWaalsContact O-N 3.15Å; L160-L162 VanDerWaalsContact C-N 3.26Å; L160-L162 PolarHBondContact O-N 3.06Å | ||
| 161 | D | 38.7 | Very low | 40.6 | Very low | 141 Ų | 141 | 133 Ų | 133 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | -65.7 | 91.5 | 168.1 | -88.5 | -18.1 | 0 | 0 | 0 | 108 | P159 R163 | P159-D161 PolarHBondContact O-N 2.93Å; D161-R163 VanDerWaalsContact C-N 3.25Å; D161-R163 PolarHBondContact O-N 3.37Å | ||
| 162 | L | 37 | Very low | 39.9 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | trans | -67 | 85.2 | 166.4 | -75.1 | 163.4 | 0 | 0 | 0 | 108.4 | L160 L164 | L160-L162 VanDerWaalsContact C-N 3.26Å; L160-L162 PolarHBondContact O-N 3.06Å; L162-L164 PolarHBondContact O-N 3.32Å | ||
| 163 | R | 37 | Very low | 39.1 | Very low | 212 Ų | 212 | 133.8 Ų | 133.8 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -78.2 | 108 | 162.9 | -72.1 | -155.8 | 172.4 | -172.6 | -2.5 | 108.6 | D161 F165 | D161-R163 VanDerWaalsContact C-N 3.25Å; D161-R163 PolarHBondContact O-N 3.37Å; R163-F165 WeakPolarHBondContact O-CD2 3.5Å; R163-F165 PolarHBondContact O-N 3.11Å | ||
| 164 | L | 32.6 | Very low | 38.1 | Very low | 174 Ų | 174 | 140.2 Ų | 140.2 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | trans | -54.8 | 112.7 | 166.9 | -77.1 | 135.9 | 0 | 0 | 0 | 109.4 | L162 | L162-L164 PolarHBondContact O-N 3.32Š| ||
| 165 | F | 36 | Very low | 36.8 | Very low | 187 Ų | 187 | 139.4 Ų | 139.4 | 82% | 0.82 | 81% | 0.81 | S | S | * | * | trans | -70.4 | 129.4 | 170.9 | -74.5 | -93.1 | 0 | 0 | 0 | 109.3 | R163 I207 | R163-F165 WeakPolarHBondContact O-CD2 3.5Å; R163-F165 PolarHBondContact O-N 3.11Å; F165-I207 HydrophobicContact CZ-CD1 4.47Å | ||
| 166 | G | 33 | Very low | 36.2 | Very low | 69 Ų | 69 | 142.1 Ų | 142.1 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | 168.1 | 19.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 167 | Q | 30.7 | Very low | 35.9 | Very low | 197 Ų | 197 | 136.8 Ų | 136.8 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -124.4 | 97.5 | 165.4 | -90.8 | -165.8 | -35.7 | 0 | 0 | 110.9 | S169 | Q167-S169 PolarHBondContact O-N 2.95Š| ||
| 168 | P | 37.8 | Very low | 35.3 | Very low | 125 Ų | 125 | 141 Ų | 141 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -79.2 | 108.6 | 160.9 | 30 | -27.6 | 0 | 0 | 0 | 108.7 | S170 | P168-S170 PolarHBondContact O-N 3.37Š| ||
| 169 | S | 41.1 | Very low | 35.3 | Very low | 117 Ų | 117 | 142 Ų | 142 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -79.4 | 108.6 | 161.9 | 74.3 | 0 | 0 | 0 | 0 | 108.3 | Q167 A171 | Q167-S169 PolarHBondContact O-N 2.95Å; S169-A171 PolarHBondContact O-N 2.79Å | ||
| 170 | S | 30.5 | Very low | 35.3 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | -63.3 | 116.3 | 167.6 | 48.5 | 0 | 0 | 0 | 0 | 111.4 | P168 | P168-S170 PolarHBondContact O-N 3.37Š| ||
| 171 | A | 34.8 | Very low | 35.7 | Very low | 88 Ų | 88 | 141 Ų | 141 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -171.8 | 93.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | S169 | S169-A171 PolarHBondContact O-N 2.79Š| ||
| 172 | S | 29.8 | Very low | 36.6 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | 57.9 | 101.2 | 90.9 | -64.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 173 | A | 34.3 | Very low | 38.2 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | 176.3 | 119.4 | 132 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 174 | E | 30.1 | Very low | 40.4 | Very low | 197 Ų | 197 | 130 Ų | 130 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | trans | -61.1 | 136.3 | 169.3 | -64.5 | 164 | 140.6 | 0 | 0 | 110.8 | ||||
| 175 | M | 31.1 | Very low | 42.9 | Very low | 158 Ų | 158 | 123.1 Ų | 123.1 | 78% | 0.778 | 72% | 0.718 | S | S | * | * | trans | -152.9 | 116.4 | 153.6 | -161.6 | 176.4 | 164.5 | 0 | 0 | 108 | V177 | M175-V177 HydrophobicContact CE-CG2 3.93Å; M175-V177 HydrophobicContact CG-CG2 4.09Å; M175-V177 PolarHBondContact O-N 3.08Å; M175-V177 VanDerWaalsContact O-N 3.15Å; M175-V177 HydrophobicContact SD-CG2 4.24Å | ||
| 176 | P | 35.8 | Very low | 45.3 | Very low | 131 Ų | 131 | 118.2 Ų | 118.2 | 85% | 0.851 | 70% | 0.704 | S | S | * | * | trans | -81.7 | 95.4 | 176.1 | 31.4 | -27.4 | 0 | 0 | 0 | 107.5 | ||||
| 177 | V | 37.1 | Very low | 47.8 | Very low | 81 Ų | 81 | 115 Ų | 115 | 49% | 0.491 | 67% | 0.67 | S | S | . | * | trans | -103.7 | 109.2 | 164.6 | -173.5 | 0 | 0 | 0 | 0 | 105.4 | M175 L179 | M175-V177 HydrophobicContact CE-CG2 3.93Å; M175-V177 HydrophobicContact CG-CG2 4.09Å; M175-V177 PolarHBondContact O-N 3.08Å; M175-V177 VanDerWaalsContact O-N 3.15Å; M175-V177 HydrophobicContact SD-CG2 4.24Å; V177-L179 HydrophobicContact CB-CG 4.25Å; V177-L179 HydrophobicContact CG1-CD2 4.02Å; V177-L179 HydrophobicContact CG1-CG 3.75Å; V177-L179 PolarHBondContact O-N 3.12Å | ||
| 178 | E | 32.3 | Very low | 50.2 | Low | 193 Ų | 193 | 112.5 Ų | 112.5 | 90% | 0.902 | 66% | 0.656 | S | S | * | * | trans | -50.3 | 85.3 | 155.1 | -76.2 | -94.3 | 143 | 0 | 0 | 107.4 | ||||
| 179 | L | 41.2 | Very low | 52.4 | Low | 125 Ų | 125 | 112.2 Ų | 112.2 | 65% | 0.654 | 65% | 0.647 | S | S | * | * | trans | -94 | 114.5 | 165.1 | -74.5 | 168.2 | 0 | 0 | 0 | 104.1 | V177 D181 | V177-L179 HydrophobicContact CB-CG 4.25Å; V177-L179 HydrophobicContact CG1-CD2 4.02Å; V177-L179 HydrophobicContact CG1-CG 3.75Å; V177-L179 PolarHBondContact O-N 3.12Å; L179-D181 VanDerWaalsContact C-N 3.26Å; L179-D181 PolarHBondContact O-N 2.88Å | ||
| 180 | D | 41 | Very low | 54.6 | Low | 150 Ų | 150 | 108 Ų | 108 | 80% | 0.802 | 62% | 0.618 | S | S | * | * | trans | -47.2 | 93 | 167.6 | -86.7 | -59.6 | 0 | 0 | 0 | 109.7 | S182 | D180-S182 PolarHBondContact O-N 3.42Š| ||
| 181 | D | 48.4 | Very low | 57.3 | Low | 107 Ų | 107 | 108.6 Ų | 108.6 | 57% | 0.572 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 20.3 | 176.8 | -85.5 | -33 | 0 | 0 | 0 | 111.7 | L179 E183 V196 | L179-D181 VanDerWaalsContact C-N 3.26Å; L179-D181 PolarHBondContact O-N 2.88Å; D181-E183 PolarHBondContact O-N 3.38Å; D181-V196 HydrophobicContact CB-CB 4.39Å; D181-V196 HydrophobicContact CB-CG2 4.3Å; D181-V196 WeakPolarHBondContact O-CG2 3.44Å |
| 182 | S | 58.1 | Low | 59.7 | Low | 94 Ų | 94 | 106.6 Ų | 106.6 | 66% | 0.657 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -17.3 | -167.6 | 48 | 0 | 0 | 0 | 0 | 113.9 | D180 | D180-S182 PolarHBondContact O-N 3.42Š|
| 183 | E | 70 | Confident | 62.5 | Low | 174 Ų | 174 | 106 Ų | 106 | 81% | 0.813 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -104.9 | 85.1 | 170.9 | -73.7 | -177.3 | 175.4 | 0 | 0 | 110.4 | D181 V196 | D181-E183 PolarHBondContact O-N 3.38Å; E183-V196 VanDerWaalsContact O-CG2 3.23Å; E183-V196 WeakPolarHBondContact O-CG2 3.36Å |
| 184 | G | 82.2 | Confident | 65 | Low | 15 Ų | 15 | 101.1 Ų | 101.1 | 16% | 0.155 | 53% | 0.533 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 172.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | H193 N194 | G184-H193 VanDerWaalsContact CA-CE1 3.44Å; G184-H193 WeakPolarHBondContact CA-CE1 3.35Å; G184-H193 WeakPolarHBondContact CA-NE2 3.04Å; G184-H193 PolarHBondContact N-CE1 2.99Å; G184-H193 PolarHBondContact N-NE2 3.21Å; G184-H193 PolarHBondContact O-CE1 2.91Å; G184-N194 CarbonylContact C-O 3.46Å; G184-N194 VanDerWaalsContact C-O 3.28Å; G184-N194 WeakPolarHBondContact CA-O 3.43Å |
| 185 | W | 85.1 | Confident | 67.7 | Low | 30 Ų | 30 | 95 Ų | 95 | 11% | 0.114 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 136.5 | 178.8 | 70.4 | -79.4 | 0 | 0 | 0 | 111.7 | C187 N194 P195 A198 C201 F206 K208 | W185-C187 HydrophobicContact CH2-CB 4.42Å; W185-C187 HydrophobicContact CZ3-CB 4.05Å; W185-N194 HydrophobicContact CD2-CB 4.29Å; W185-N194 HydrophobicContact CG-CB 4.44Å; W185-N194 HydrophobicContact CZ2-CB 4.14Å; W185-N194 PolarHBondContact N-O 3.45Å; W185-N194 PolarHBondContact O-N 3.41Å; W185-N194 PolarHBondContact O-ND2 3.27Å; W185-P195 VanDerWaalsContact CD1-O 3.29Å; W185-P195 PolarHBondContact NE1-O 3.09Å; W185-A198 PolarHBondContact NE1-O 3.24Å; W185-A198 VanDerWaalsContact NE1-O 3.1Å; W185-C201 HydrophobicContact CH2-CB 3.93Å; W185-C201 HydrophobicContact CZ2-CB 4.34Å; W185-F206 WeakPolarHBondContact CH2-O 3.35Å; W185-K208 HydrophobicContact CD2-CB 4.41Å; W185-K208 HydrophobicContact CD2-CG 4.02Å; W185-K208 HydrophobicContact CG-CD 4.37Å; W185-K208 HydrophobicContact CG-CG 4.27Å; W185-K208 HydrophobicContact CH2-CB 4.24Å; W185-K208 HydrophobicContact CZ2-CB 3.81Å; W185-K208 HydrophobicContact CZ2-CG 4.32Å |
| 186 | T | 86 | Confident | 70.2 | Confident | 84 Ų | 84 | 89.3 Ų | 89.3 | 52% | 0.515 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 132 | 174.1 | 51.8 | 0 | 0 | 0 | 0 | 110.7 | K188 H193 | T186-K188 PolarHBondContact O-N 3.35Å; T186-H193 HydrophobicContact CG2-CB 4.49Å |
| 187 | C | 86.1 | Confident | 72.3 | Confident | 0 Ų | 0 | 87.9 Ų | 87.9 | 0% | 0 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 122.5 | 176.7 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | W185 L189 C190 D191 V192 C201 C204 | W185-C187 HydrophobicContact CH2-CB 4.42Å; W185-C187 HydrophobicContact CZ3-CB 4.05Å; C187-L189 PolarHBondContact O-N 2.68Å; C187-L189 VanDerWaalsContact O-N 3.08Å; C187-C190 VanDerWaalsContact CB-SG 3.54Å; C187-C190 PolarHBondContact O-N 2.73Å; C187-D191 WeakPolarHBondContact O-CA 3.44Å; C187-D191 PolarHBondContact O-N 2.98Å; C187-V192 PolarHBondContact N-O 3.14Å; C187-C201 HydrophobicContact CB-CB 3.93Å; C187-C201 VanDerWaalsContact CB-SG 3.58Å; C187-C204 PolarHBondContact SG-SG 3.1Å |
| 188 | K | 82 | Confident | 74.5 | Confident | 145 Ų | 145 | 84.6 Ų | 84.6 | 63% | 0.63 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -11.8 | -179 | -64.2 | -174 | 178.8 | -176.7 | 0 | 115.1 | T186 | T186-K188 PolarHBondContact O-N 3.35Š|
| 189 | L | 82.8 | Confident | 77 | Confident | 120 Ų | 120 | 79.3 Ų | 79.3 | 63% | 0.628 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -35.7 | -179.1 | -66.6 | -174.9 | 0 | 0 | 0 | 112.9 | C187 F206 | C187-L189 PolarHBondContact O-N 2.68Å; C187-L189 VanDerWaalsContact O-N 3.08Å; L189-F206 HydrophobicContact CD1-CB 4.06Å; L189-F206 HydrophobicContact CD1-CD2 3.25Å; L189-F206 HydrophobicContact CD1-CE2 3.76Å; L189-F206 HydrophobicContact CD1-CG 3.7Å; L189-F206 HydrophobicContact CG-CD2 4.06Å; L189-F206 HydrophobicContact CG-CE2 4.32Å; L189-F206 HydrophobicContact CG-CG 4.21Å |
| 190 | C | 88.1 | Confident | 79.1 | Confident | 29 Ų | 29 | 79.4 Ų | 79.4 | 20% | 0.196 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | 2.3 | -172.9 | 64.8 | 0 | 0 | 0 | 0 | 114 | C187 V192 W203 | C187-C190 VanDerWaalsContact CB-SG 3.54Å; C187-C190 PolarHBondContact O-N 2.73Å; C190-V192 HydrophobicContact CB-CG2 4.26Å; C190-V192 PolarHBondContact O-N 3.02Å; C190-W203 HydrophobicContact CB-CD2 4.41Å; C190-W203 HydrophobicContact CB-CE3 3.28Å; C190-W203 HydrophobicContact CB-CZ3 3.38Å |
| 191 | D | 86 | Confident | 81.3 | Confident | 131 Ų | 131 | 72.2 Ų | 72.2 | 70% | 0.701 | 40% | 0.395 | S | S | * | . | trans | 55.9 | 13.3 | -179.2 | -60.4 | -38.7 | 0 | 0 | 0 | 115.4 | C187 | C187-D191 WeakPolarHBondContact O-CA 3.44Å; C187-D191 PolarHBondContact O-N 2.98Å | ||
| 192 | V | 86.5 | Confident | 83.1 | Confident | 47 Ų | 47 | 71.4 Ų | 71.4 | 29% | 0.285 | 39% | 0.394 | S | S | . | . | trans | -72.8 | 132 | 175.2 | 176.2 | 0 | 0 | 0 | 0 | 110.1 | C187 C190 N194 W203 | C187-V192 PolarHBondContact N-O 3.14Å; C190-V192 HydrophobicContact CB-CG2 4.26Å; C190-V192 PolarHBondContact O-N 3.02Å; V192-N194 PolarHBondContact O-ND2 3.42Å; V192-W203 HydrophobicContact CG2-CB 4.09Å; V192-W203 HydrophobicContact CG2-CG 4.44Å | ||
| 193 | H | 88.6 | Confident | 84.4 | Confident | 112 Ų | 112 | 76 Ų | 76 | 52% | 0.519 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 126.5 | 174.7 | -166.1 | 76.9 | 0 | 0 | 0 | 110.6 | G184 T186 | G184-H193 VanDerWaalsContact CA-CE1 3.44Å; G184-H193 WeakPolarHBondContact CA-CE1 3.35Å; G184-H193 WeakPolarHBondContact CA-NE2 3.04Å; G184-H193 PolarHBondContact N-CE1 2.99Å; G184-H193 PolarHBondContact N-NE2 3.21Å; G184-H193 PolarHBondContact O-CE1 2.91Å; T186-H193 HydrophobicContact CG2-CB 4.49Å |
| 194 | N | 87.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 148.7 | -178.9 | -54.1 | -78.5 | 0 | 0 | 0 | 109.7 | G184 W185 V192 A198 C201 T202 | G184-N194 CarbonylContact C-O 3.46Å; G184-N194 VanDerWaalsContact C-O 3.28Å; G184-N194 WeakPolarHBondContact CA-O 3.43Å; W185-N194 HydrophobicContact CD2-CB 4.29Å; W185-N194 HydrophobicContact CG-CB 4.44Å; W185-N194 HydrophobicContact CZ2-CB 4.14Å; W185-N194 PolarHBondContact N-O 3.45Å; W185-N194 PolarHBondContact O-N 3.41Å; W185-N194 PolarHBondContact O-ND2 3.27Å; V192-N194 PolarHBondContact O-ND2 3.42Å; N194-A198 HydrophobicContact CB-CB 4.47Å; N194-C201 WeakPolarHBondContact OD1-CA 3.45Å; N194-C201 PolarHBondContact OD1-SG 3.2Å; N194-C201 VanDerWaalsContact OD1-SG 3.37Å; N194-T202 PolarHBondContact OD1-N 2.95Å; N194-T202 PolarHBondContact OD1-OG1 3.35Å |
| 195 | P | 86.8 | Confident | 85.4 | Confident | 68 Ų | 68 | 75 Ų | 75 | 44% | 0.442 | 40% | 0.396 | S | S | . | . | trans | -62.7 | 153.7 | 177.4 | 26.5 | -33.1 | 0 | 0 | 0 | 111.4 | W185 S197 A198 | W185-P195 VanDerWaalsContact CD1-O 3.29Å; W185-P195 PolarHBondContact NE1-O 3.09Å; P195-S197 PolarHBondContact O-N 3.43Å; P195-A198 HydrophobicContact CG-CB 3.81Å; P195-A198 PolarHBondContact O-N 2.92Å | ||
| 196 | V | 82.1 | Confident | 85.3 | Confident | 40 Ų | 40 | 77.3 Ų | 77.3 | 24% | 0.242 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -35.8 | -176.8 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | D181 E183 K208 | D181-V196 HydrophobicContact CB-CB 4.39Å; D181-V196 HydrophobicContact CB-CG2 4.3Å; D181-V196 WeakPolarHBondContact O-CG2 3.44Å; E183-V196 VanDerWaalsContact O-CG2 3.23Å; E183-V196 WeakPolarHBondContact O-CG2 3.36Å; V196-K208 PolarHBondContact O-NZ 2.92Å |
| 197 | S | 81.6 | Confident | 85.2 | Confident | 100 Ų | 100 | 78.2 Ų | 78.2 | 70% | 0.699 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -19.4 | -179.5 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | P195 P199 | P195-S197 PolarHBondContact O-N 3.43Å; S197-P199 VanDerWaalsContact O-CD 3.32Å; S197-P199 WeakPolarHBondContact O-CD 3.37Å |
| 198 | A | 82.7 | Confident | 84.9 | Confident | 13 Ų | 13 | 81.9 Ų | 81.9 | 11% | 0.107 | 42% | 0.424 | C | S | . | . | trans | -70.3 | 120.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | W185 N194 P195 Y200 | W185-A198 PolarHBondContact NE1-O 3.24Å; W185-A198 VanDerWaalsContact NE1-O 3.1Å; N194-A198 HydrophobicContact CB-CB 4.47Å; P195-A198 HydrophobicContact CG-CB 3.81Å; P195-A198 PolarHBondContact O-N 2.92Å; A198-Y200 VanDerWaalsContact C-N 3.25Å; A198-Y200 PolarHBondContact O-N 3.35Å | ||
| 199 | P | 84.2 | Confident | 84.5 | Confident | 81 Ų | 81 | 76.8 Ų | 76.8 | 53% | 0.526 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -76.9 | -14.6 | 177.9 | 28 | -28.7 | 0 | 0 | 0 | 112.7 | S197 K208 | S197-P199 VanDerWaalsContact O-CD 3.32Å; S197-P199 WeakPolarHBondContact O-CD 3.37Å; P199-K208 WeakPolarHBondContact O-CB 3.5Å; P199-K208 PolarHBondContact O-N 3.31Å |
| 200 | Y | 85.5 | Confident | 84.2 | Confident | 127 Ų | 127 | 73 Ų | 73 | 50% | 0.498 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -135.8 | 154.4 | 178 | 46.1 | -98.2 | 0 | 0 | 0 | 110.5 | A198 L205 F206 | A198-Y200 VanDerWaalsContact C-N 3.25Å; A198-Y200 PolarHBondContact O-N 3.35Å; Y200-L205 HydrophobicContact CD2-CD2 3.73Å; Y200-L205 HydrophobicContact CE2-CD2 4.15Å; Y200-L205 HydrophobicContact CG-CD2 4.4Å; Y200-F206 CarbonylContact C-O 3.22Å; Y200-F206 VanDerWaalsContact CA-O 3.27Å; Y200-F206 WeakPolarHBondContact CA-O 3.35Å |
| 201 | C | 87.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 42% | 0.423 | C | S | . | . | trans | -64.8 | 135.2 | 172.8 | 177 | 0 | 0 | 0 | 0 | 109.6 | W185 C187 N194 W203 L205 F206 | W185-C201 HydrophobicContact CH2-CB 3.93Å; W185-C201 HydrophobicContact CZ2-CB 4.34Å; C187-C201 HydrophobicContact CB-CB 3.93Å; C187-C201 VanDerWaalsContact CB-SG 3.58Å; N194-C201 WeakPolarHBondContact OD1-CA 3.45Å; N194-C201 PolarHBondContact OD1-SG 3.2Å; N194-C201 VanDerWaalsContact OD1-SG 3.37Å; C201-W203 PolarHBondContact O-N 2.65Å; C201-W203 PolarHBondContact SG-N 2.96Å; C201-L205 WeakPolarHBondContact O-CA 3.34Å; C201-L205 PolarHBondContact O-N 3.18Å; C201-F206 HydrophobicContact CB-CB 4.27Å; C201-F206 PolarHBondContact N-O 2.85Å | ||
| 202 | T | 86.4 | Confident | 82.6 | Confident | 89 Ų | 89 | 84.6 Ų | 84.6 | 55% | 0.546 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -33.6 | 179.6 | 53.3 | 0 | 0 | 0 | 0 | 112.6 | N194 | N194-T202 PolarHBondContact OD1-N 2.95Å; N194-T202 PolarHBondContact OD1-OG1 3.35Å |
| 203 | W | 85.2 | Confident | 81.9 | Confident | 192 Ų | 192 | 87.2 Ų | 87.2 | 73% | 0.727 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -51.3 | -176.3 | -172.8 | 72.8 | 0 | 0 | 0 | 113.7 | C190 V192 C201 | C190-W203 HydrophobicContact CB-CD2 4.41Å; C190-W203 HydrophobicContact CB-CE3 3.28Å; C190-W203 HydrophobicContact CB-CZ3 3.38Å; V192-W203 HydrophobicContact CG2-CB 4.09Å; V192-W203 HydrophobicContact CG2-CG 4.44Å; C201-W203 PolarHBondContact O-N 2.65Å; C201-W203 PolarHBondContact SG-N 2.96Å |
| 204 | C | 89.3 | Confident | 81.1 | Confident | 48 Ų | 48 | 83.7 Ų | 83.7 | 32% | 0.324 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 2.4 | -174.7 | 61.4 | 0 | 0 | 0 | 0 | 114.6 | C187 F206 | C187-C204 PolarHBondContact SG-SG 3.1Å; C204-F206 PolarHBondContact O-N 3.42Å; C204-F206 VanDerWaalsContact SG-CB 3.54Å |
| 205 | L | 84.6 | Confident | 80.5 | Confident | 118 Ų | 118 | 88.9 Ų | 88.9 | 62% | 0.618 | 45% | 0.454 | S | S | * | . | trans | 56.8 | 15 | -175.8 | -57.2 | 175.6 | 0 | 0 | 0 | 114.5 | Y200 C201 I207 | Y200-L205 HydrophobicContact CD2-CD2 3.73Å; Y200-L205 HydrophobicContact CE2-CD2 4.15Å; Y200-L205 HydrophobicContact CG-CD2 4.4Å; C201-L205 WeakPolarHBondContact O-CA 3.34Å; C201-L205 PolarHBondContact O-N 3.18Å; L205-I207 PolarHBondContact O-N 3.43Å | ||
| 206 | F | 82.8 | Confident | 80 | Confident | 79 Ų | 79 | 88 Ų | 88 | 35% | 0.346 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 129.8 | 178.1 | -175.3 | -102 | 0 | 0 | 0 | 110.6 | W185 L189 Y200 C201 C204 K208 | W185-F206 WeakPolarHBondContact CH2-O 3.35Å; L189-F206 HydrophobicContact CD1-CB 4.06Å; L189-F206 HydrophobicContact CD1-CD2 3.25Å; L189-F206 HydrophobicContact CD1-CE2 3.76Å; L189-F206 HydrophobicContact CD1-CG 3.7Å; L189-F206 HydrophobicContact CG-CD2 4.06Å; L189-F206 HydrophobicContact CG-CE2 4.32Å; L189-F206 HydrophobicContact CG-CG 4.21Å; Y200-F206 CarbonylContact C-O 3.22Å; Y200-F206 VanDerWaalsContact CA-O 3.27Å; Y200-F206 WeakPolarHBondContact CA-O 3.35Å; C201-F206 HydrophobicContact CB-CB 4.27Å; C201-F206 PolarHBondContact N-O 2.85Å; C204-F206 PolarHBondContact O-N 3.42Å; C204-F206 VanDerWaalsContact SG-CB 3.54Å; F206-K208 PolarHBondContact O-N 2.94Å |
| 207 | I | 83.6 | Confident | 79.7 | Confident | 104 Ų | 104 | 89.9 Ų | 89.9 | 53% | 0.533 | 46% | 0.461 | S | S | . | . | B | Isolated β-bridge | trans | -66.5 | 131.1 | -175.9 | -59.7 | 170.2 | 0 | 0 | 0 | 109.6 | F165 L205 P209 | F165-I207 HydrophobicContact CZ-CD1 4.47Å; L205-I207 PolarHBondContact O-N 3.43Å; I207-P209 VanDerWaalsContact O-N 3.14Å |
| 208 | K | 79.8 | Confident | 79.6 | Confident | 77 Ų | 77 | 88.2 Ų | 88.2 | 34% | 0.335 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -50.3 | 121.5 | 172.2 | -176.7 | 178.6 | -176.3 | 179.5 | 0 | 108.2 | W185 V196 P199 F206 G210 | W185-K208 HydrophobicContact CD2-CB 4.41Å; W185-K208 HydrophobicContact CD2-CG 4.02Å; W185-K208 HydrophobicContact CG-CD 4.37Å; W185-K208 HydrophobicContact CG-CG 4.27Å; W185-K208 HydrophobicContact CH2-CB 4.24Å; W185-K208 HydrophobicContact CZ2-CB 3.81Å; W185-K208 HydrophobicContact CZ2-CG 4.32Å; V196-K208 PolarHBondContact O-NZ 2.92Å; P199-K208 WeakPolarHBondContact O-CB 3.5Å; P199-K208 PolarHBondContact O-N 3.31Å; F206-K208 PolarHBondContact O-N 2.94Å; K208-G210 PolarHBondContact O-N 2.93Å |
| 209 | P | 73.6 | Confident | 79.7 | Confident | 37 Ų | 37 | 94.3 Ų | 94.3 | 24% | 0.24 | 47% | 0.473 | C | S | . | . | trans | -63.1 | 107.4 | -179.2 | 24.3 | -31.7 | 0 | 0 | 0 | 108.3 | I207 | I207-P209 VanDerWaalsContact O-N 3.14Š| ||
| 210 | G | 76.3 | Confident | 79.7 | Confident | 40 Ų | 40 | 94.2 Ų | 94.2 | 41% | 0.412 | 47% | 0.471 | S | S | . | . | trans | -57.7 | 147.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | K208 R212 L213 S214 | K208-G210 PolarHBondContact O-N 2.93Å; G210-R212 PolarHBondContact O-N 3.28Å; G210-L213 WeakPolarHBondContact O-CA 3.38Å; G210-L213 PolarHBondContact O-N 3.43Å; G210-S214 PolarHBondContact O-N 2.98Å; G210-S214 PolarHBondContact O-OG 3.07Å | ||
| 211 | K | 69.1 | Low | 79.7 | Confident | 179 Ų | 179 | 92 Ų | 92 | 78% | 0.778 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -46.2 | -38 | -179.2 | -66.2 | -176.1 | 179.8 | -178 | 0 | 112.5 | S214 E215 | K211-S214 WeakPolarHBondContact CA-OG 3.32Å; K211-S214 PolarHBondContact O-OG 3.35Å; K211-E215 WeakPolarHBondContact O-CG 3.42Å; K211-E215 PolarHBondContact O-N 2.99Å; K211-E215 VanDerWaalsContact O-N 3.08Å |
| 212 | R | 71.9 | Confident | 79.5 | Confident | 225 Ų | 225 | 98 Ų | 98 | 85% | 0.849 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65 | -37.2 | 176.7 | -67.1 | -170 | 174.6 | -174.6 | -0.2 | 114.2 | G210 A216 | G210-R212 PolarHBondContact O-N 3.28Å; R212-A216 WeakPolarHBondContact O-CB 3.2Å; R212-A216 PolarHBondContact O-N 3Å |
| 213 | L | 71.5 | Confident | 79.3 | Confident | 102 Ų | 102 | 98.5 Ų | 98.5 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -77.4 | -39 | -177.7 | -153.7 | 148.4 | 0 | 0 | 0 | 110.5 | G210 A216 I217 | G210-L213 WeakPolarHBondContact O-CA 3.38Å; G210-L213 PolarHBondContact O-N 3.43Å; L213-A216 PolarHBondContact O-N 2.89Å; L213-I217 HydrophobicContact CD2-CD1 3.49Å; L213-I217 VanDerWaalsContact CD2-CD1 3.49Å; L213-I217 HydrophobicContact CD2-CG1 4.09Å; L213-I217 VanDerWaalsContact O-CG1 3.32Å; L213-I217 WeakPolarHBondContact O-CG1 3.39Å; L213-I217 PolarHBondContact O-N 3.44Å |
| 214 | S | 71.6 | Confident | 79.3 | Confident | 39 Ų | 39 | 95.2 Ų | 95.2 | 27% | 0.273 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61 | -43 | 170.6 | 46.8 | 0 | 0 | 0 | 0 | 112.4 | G210 K211 I217 S218 | G210-S214 PolarHBondContact O-N 2.98Å; G210-S214 PolarHBondContact O-OG 3.07Å; K211-S214 WeakPolarHBondContact CA-OG 3.32Å; K211-S214 PolarHBondContact O-OG 3.35Å; S214-I217 PolarHBondContact O-N 2.89Å; S214-S218 WeakPolarHBondContact O-CB 3.46Å; S214-S218 PolarHBondContact O-N 3.08Å; S214-S218 PolarHBondContact O-OG 3.37Å; S214-S218 VanDerWaalsContact O-OG 3.11Å |
| 215 | E | 75.6 | Confident | 79.1 | Confident | 108 Ų | 108 | 99.4 Ų | 99.4 | 51% | 0.505 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 175.3 | -76.6 | 173.5 | -157.4 | 0 | 0 | 112.4 | K211 S218 K219 | K211-E215 WeakPolarHBondContact O-CG 3.42Å; K211-E215 PolarHBondContact O-N 2.99Å; K211-E215 VanDerWaalsContact O-N 3.08Å; E215-S218 PolarHBondContact O-N 3.21Å; E215-K219 WeakPolarHBondContact O-CG 2.94Å; E215-K219 PolarHBondContact O-N 3.02Å |
| 216 | A | 74.9 | Confident | 78.9 | Confident | 51 Ų | 51 | 97.2 Ų | 97.2 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R212 L213 K219 V220 | R212-A216 WeakPolarHBondContact O-CB 3.2Å; R212-A216 PolarHBondContact O-N 3Å; L213-A216 PolarHBondContact O-N 2.89Å; A216-K219 PolarHBondContact O-N 2.98Å; A216-V220 WeakPolarHBondContact O-CG2 3.35Å; A216-V220 PolarHBondContact O-N 3.35Å |
| 217 | I | 76.3 | Confident | 78.7 | Confident | 79 Ų | 79 | 100.9 Ų | 100.9 | 41% | 0.405 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 175.1 | -68.5 | 171.4 | 0 | 0 | 0 | 110.4 | L213 S214 K219 V220 I221 | L213-I217 HydrophobicContact CD2-CD1 3.49Å; L213-I217 VanDerWaalsContact CD2-CD1 3.49Å; L213-I217 HydrophobicContact CD2-CG1 4.09Å; L213-I217 VanDerWaalsContact O-CG1 3.32Å; L213-I217 WeakPolarHBondContact O-CG1 3.39Å; L213-I217 PolarHBondContact O-N 3.44Å; S214-I217 PolarHBondContact O-N 2.89Å; I217-K219 PolarHBondContact O-N 3.23Å; I217-V220 PolarHBondContact O-N 2.95Å; I217-I221 HydrophobicContact CG2-CD1 3.73Å; I217-I221 HydrophobicContact CG2-CG1 4.35Å; I217-I221 WeakPolarHBondContact O-CG1 3.41Å; I217-I221 PolarHBondContact O-N 2.81Å |
| 218 | S | 79.1 | Confident | 78.4 | Confident | 65 Ų | 65 | 101.3 Ų | 101.3 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 177.8 | -67.3 | 0 | 0 | 0 | 0 | 112.2 | S214 E215 V220 I221 E222 | S214-S218 WeakPolarHBondContact O-CB 3.46Å; S214-S218 PolarHBondContact O-N 3.08Å; S214-S218 PolarHBondContact O-OG 3.37Å; S214-S218 VanDerWaalsContact O-OG 3.11Å; E215-S218 PolarHBondContact O-N 3.21Å; S218-V220 VanDerWaalsContact C-N 3.34Å; S218-V220 PolarHBondContact O-N 3.3Å; S218-I221 PolarHBondContact O-N 3.42Å; S218-E222 WeakPolarHBondContact O-CG 3.49Å; S218-E222 PolarHBondContact O-N 2.99Å |
| 219 | K | 84.5 | Confident | 78.5 | Confident | 141 Ų | 141 | 101 Ų | 101 | 61% | 0.613 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.7 | -42.1 | 175.6 | -76.1 | 174.9 | -178.1 | 172.9 | 0 | 112.3 | E215 A216 I217 E222 E223 | E215-K219 WeakPolarHBondContact O-CG 2.94Å; E215-K219 PolarHBondContact O-N 3.02Å; A216-K219 PolarHBondContact O-N 2.98Å; I217-K219 PolarHBondContact O-N 3.23Å; K219-E222 PolarHBondContact O-N 3.45Å; K219-E223 WeakPolarHBondContact O-CB 3.44Å; K219-E223 PolarHBondContact O-N 3.36Å |
| 220 | V | 84.6 | Confident | 78.7 | Confident | 78 Ų | 78 | 106.8 Ų | 106.8 | 47% | 0.473 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 177.4 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | A216 I217 S218 E223 Q224 | A216-V220 WeakPolarHBondContact O-CG2 3.35Å; A216-V220 PolarHBondContact O-N 3.35Å; I217-V220 PolarHBondContact O-N 2.95Å; S218-V220 VanDerWaalsContact C-N 3.34Å; S218-V220 PolarHBondContact O-N 3.3Å; V220-E223 PolarHBondContact O-N 3.19Å; V220-Q224 WeakPolarHBondContact O-CG 3.31Å; V220-Q224 PolarHBondContact O-N 3.25Å |
| 221 | I | 85.2 | Confident | 78.6 | Confident | 82 Ų | 82 | 107.1 Ų | 107.1 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 177.5 | -68.3 | 169.7 | 0 | 0 | 0 | 110.7 | I217 S218 Q224 K225 | I217-I221 HydrophobicContact CG2-CD1 3.73Å; I217-I221 HydrophobicContact CG2-CG1 4.35Å; I217-I221 WeakPolarHBondContact O-CG1 3.41Å; I217-I221 PolarHBondContact O-N 2.81Å; S218-I221 PolarHBondContact O-N 3.42Å; I221-Q224 PolarHBondContact O-N 3.1Å; I221-K225 HydrophobicContact CG2-CD 4.38Å; I221-K225 WeakPolarHBondContact O-CG 3.44Å; I221-K225 PolarHBondContact O-N 3.49Å |
| 222 | E | 84.3 | Confident | 79 | Confident | 126 Ų | 126 | 104.6 Ų | 104.6 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.8 | -43.7 | 175.8 | -75.1 | -176 | 167.8 | 0 | 0 | 112.1 | S218 K219 Q224 K225 C226 | S218-E222 WeakPolarHBondContact O-CG 3.49Å; S218-E222 PolarHBondContact O-N 2.99Å; K219-E222 PolarHBondContact O-N 3.45Å; E222-Q224 VanDerWaalsContact C-N 3.33Å; E222-Q224 PolarHBondContact O-N 2.72Å; E222-K225 PolarHBondContact O-N 2.81Å; E222-C226 PolarHBondContact O-N 2.79Å; E222-C226 PolarHBondContact O-SG 3.47Å |
| 223 | E | 82.8 | Confident | 79.1 | Confident | 99 Ų | 99 | 100.3 Ų | 100.3 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 177.8 | -164.4 | -171.1 | 167.5 | 0 | 0 | 111.5 | K219 V220 C226 R227 | K219-E223 WeakPolarHBondContact O-CB 3.44Å; K219-E223 PolarHBondContact O-N 3.36Å; V220-E223 PolarHBondContact O-N 3.19Å; E223-C226 PolarHBondContact O-N 3.09Å; E223-R227 VanDerWaalsContact O-CG 3.31Å; E223-R227 WeakPolarHBondContact O-CG 3.33Å; E223-R227 PolarHBondContact O-N 3.29Å; E223-R227 IonicContact OE1-CZ 3.99Å; E223-R227 VanDerWaalsContact OE1-CZ 3.28Å; E223-R227 IonicContact OE1-NE 3.18Å; E223-R227 PolarHBondContact OE1-NE 2.93Å; E223-R227 IonicContact OE1-NH2 3.28Å; E223-R227 PolarHBondContact OE1-NH2 2.7Å; E223-R227 IonicContact OE2-NH2 2.65Å |
| 224 | Q | 84.3 | Confident | 79.3 | Confident | 122 Ų | 122 | 97.3 Ų | 97.3 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.9 | -43.9 | 174.9 | -73.5 | -159.6 | 5.5 | 0 | 0 | 112.1 | V220 I221 E222 C226 R227 L228 | V220-Q224 WeakPolarHBondContact O-CG 3.31Å; V220-Q224 PolarHBondContact O-N 3.25Å; I221-Q224 PolarHBondContact O-N 3.1Å; E222-Q224 VanDerWaalsContact C-N 3.33Å; E222-Q224 PolarHBondContact O-N 2.72Å; Q224-C226 VanDerWaalsContact C-N 3.35Å; Q224-C226 PolarHBondContact O-N 2.77Å; Q224-R227 PolarHBondContact O-N 3.42Å; Q224-L228 WeakPolarHBondContact O-CG 3.47Å; Q224-L228 PolarHBondContact O-N 3Å |
| 225 | K | 84.7 | Confident | 79.6 | Confident | 137 Ų | 137 | 101.9 Ų | 101.9 | 60% | 0.596 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.9 | -45.1 | 174.4 | -73.3 | 177.2 | 179.8 | 179.1 | 0 | 111.3 | I221 E222 R227 L228 V229 | I221-K225 HydrophobicContact CG2-CD 4.38Å; I221-K225 WeakPolarHBondContact O-CG 3.44Å; I221-K225 PolarHBondContact O-N 3.49Å; E222-K225 PolarHBondContact O-N 2.81Å; K225-R227 VanDerWaalsContact C-N 3.35Å; K225-R227 PolarHBondContact O-N 3.29Å; K225-L228 PolarHBondContact O-N 2.88Å; K225-V229 WeakPolarHBondContact O-CG2 3.27Å; K225-V229 PolarHBondContact O-N 3.05Å; K225-V229 VanDerWaalsContact O-N 3.09Å |
| 226 | C | 79.9 | Confident | 79.7 | Confident | 72 Ų | 72 | 100.3 Ų | 100.3 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 176.8 | -72.8 | 0 | 0 | 0 | 0 | 112.9 | E222 E223 Q224 V229 K230 | E222-C226 PolarHBondContact O-N 2.79Å; E222-C226 PolarHBondContact O-SG 3.47Å; E223-C226 PolarHBondContact O-N 3.09Å; Q224-C226 VanDerWaalsContact C-N 3.35Å; Q224-C226 PolarHBondContact O-N 2.77Å; C226-V229 PolarHBondContact O-N 2.85Å; C226-K230 WeakPolarHBondContact O-CG 3.43Å; C226-K230 PolarHBondContact O-N 3.09Å |
| 227 | R | 78.9 | Confident | 80.1 | Confident | 155 Ų | 155 | 104.3 Ų | 104.3 | 59% | 0.585 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.2 | -41.9 | 176.7 | -72.4 | 172.4 | -178.4 | -158.8 | 3 | 111.6 | E223 Q224 K225 K230 S231 | E223-R227 VanDerWaalsContact O-CG 3.31Å; E223-R227 WeakPolarHBondContact O-CG 3.33Å; E223-R227 PolarHBondContact O-N 3.29Å; E223-R227 IonicContact OE1-CZ 3.99Å; E223-R227 VanDerWaalsContact OE1-CZ 3.28Å; E223-R227 IonicContact OE1-NE 3.18Å; E223-R227 PolarHBondContact OE1-NE 2.93Å; E223-R227 IonicContact OE1-NH2 3.28Å; E223-R227 PolarHBondContact OE1-NH2 2.7Å; E223-R227 IonicContact OE2-NH2 2.65Å; Q224-R227 PolarHBondContact O-N 3.42Å; K225-R227 VanDerWaalsContact C-N 3.35Å; K225-R227 PolarHBondContact O-N 3.29Å; R227-K230 PolarHBondContact O-N 3.42Å; R227-S231 PolarHBondContact O-N 3.02Å |
| 228 | L | 78 | Confident | 80.4 | Confident | 113 Ų | 113 | 103.1 Ų | 103.1 | 59% | 0.592 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.2 | -49 | 176.5 | -71.2 | 172 | 0 | 0 | 0 | 111.3 | Q224 K225 K230 S231 E232 | Q224-L228 WeakPolarHBondContact O-CG 3.47Å; Q224-L228 PolarHBondContact O-N 3Å; K225-L228 PolarHBondContact O-N 2.88Å; L228-K230 PolarHBondContact O-N 2.94Å; L228-S231 WeakPolarHBondContact O-CB 3.42Å; L228-S231 PolarHBondContact O-N 3.39Å; L228-S231 VanDerWaalsContact O-N 3.1Å; L228-S231 PolarHBondContact O-OG 3.44Å; L228-E232 PolarHBondContact O-N 3.49Å |
| 229 | V | 81.4 | Confident | 80.7 | Confident | 70 Ų | 70 | 108.5 Ų | 108.5 | 42% | 0.424 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 178.6 | 176.5 | 0 | 0 | 0 | 0 | 112.2 | K225 C226 S231 E232 K233 | K225-V229 WeakPolarHBondContact O-CG2 3.27Å; K225-V229 PolarHBondContact O-N 3.05Å; K225-V229 VanDerWaalsContact O-N 3.09Å; C226-V229 PolarHBondContact O-N 2.85Å; V229-S231 VanDerWaalsContact C-N 3.3Å; V229-S231 PolarHBondContact O-N 3.14Å; V229-E232 PolarHBondContact O-N 3.46Å; V229-K233 HydrophobicContact CG1-CD 4.24Å; V229-K233 HydrophobicContact CG1-CG 4.46Å; V229-K233 WeakPolarHBondContact O-CG 3.44Å; V229-K233 PolarHBondContact O-N 3.46Å |
| 230 | K | 78.9 | Confident | 80.8 | Confident | 159 Ų | 159 | 108.6 Ų | 108.6 | 69% | 0.691 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.3 | -41 | 175 | -75.5 | 175.5 | -178.5 | 177.3 | 0 | 111.3 | C226 R227 L228 E232 K233 G234 | C226-K230 WeakPolarHBondContact O-CG 3.43Å; C226-K230 PolarHBondContact O-N 3.09Å; R227-K230 PolarHBondContact O-N 3.42Å; L228-K230 PolarHBondContact O-N 2.94Å; K230-E232 VanDerWaalsContact C-N 3.35Å; K230-E232 PolarHBondContact O-N 2.95Å; K230-K233 PolarHBondContact O-N 3.02Å; K230-G234 PolarHBondContact O-N 3.49Å |
| 231 | S | 74.3 | Confident | 80.9 | Confident | 48 Ų | 48 | 111.5 Ų | 111.5 | 34% | 0.336 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | 177.6 | 86.5 | 0 | 0 | 0 | 0 | 112.1 | R227 L228 V229 G234 K235 | R227-S231 PolarHBondContact O-N 3.02Å; L228-S231 WeakPolarHBondContact O-CB 3.42Å; L228-S231 PolarHBondContact O-N 3.39Å; L228-S231 VanDerWaalsContact O-N 3.1Å; L228-S231 PolarHBondContact O-OG 3.44Å; V229-S231 VanDerWaalsContact C-N 3.3Å; V229-S231 PolarHBondContact O-N 3.14Å; S231-G234 PolarHBondContact O-N 3.31Å; S231-K235 WeakPolarHBondContact O-CB 3.44Å; S231-K235 VanDerWaalsContact O-CG 3.24Å; S231-K235 WeakPolarHBondContact O-CG 3.24Å; S231-K235 PolarHBondContact O-N 3.29Å |
| 232 | E | 76 | Confident | 81.1 | Confident | 126 Ų | 126 | 113.3 Ų | 113.3 | 59% | 0.589 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.1 | -42.7 | 177 | -70.7 | -168.7 | 152.4 | 0 | 0 | 112.6 | L228 V229 K230 G234 K235 T236 | L228-E232 PolarHBondContact O-N 3.49Å; V229-E232 PolarHBondContact O-N 3.46Å; K230-E232 VanDerWaalsContact C-N 3.35Å; K230-E232 PolarHBondContact O-N 2.95Å; E232-G234 VanDerWaalsContact C-N 3.33Å; E232-G234 PolarHBondContact O-N 3.01Å; E232-K235 PolarHBondContact O-N 3.45Å; E232-T236 WeakPolarHBondContact O-CB 3.38Å; E232-T236 PolarHBondContact O-N 3.4Å; E232-T236 PolarHBondContact O-OG1 2.89Å |
| 233 | K | 75.4 | Confident | 81.4 | Confident | 135 Ų | 135 | 116.3 Ų | 116.3 | 59% | 0.587 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59.1 | -45.1 | 173.6 | -74.1 | -178.9 | -180 | -179.5 | 0 | 110.9 | V229 K230 T236 Q237 | V229-K233 HydrophobicContact CG1-CD 4.24Å; V229-K233 HydrophobicContact CG1-CG 4.46Å; V229-K233 WeakPolarHBondContact O-CG 3.44Å; V229-K233 PolarHBondContact O-N 3.46Å; K230-K233 PolarHBondContact O-N 3.02Å; K233-T236 PolarHBondContact O-N 2.95Å; K233-Q237 WeakPolarHBondContact O-CG 3.34Å; K233-Q237 PolarHBondContact O-N 3.1Å |
| 234 | G | 75.7 | Confident | 81.8 | Confident | 38 Ų | 38 | 119 Ų | 119 | 39% | 0.392 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.3 | -46.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | K230 S231 E232 T236 Q237 A238 | K230-G234 PolarHBondContact O-N 3.49Å; S231-G234 PolarHBondContact O-N 3.31Å; E232-G234 VanDerWaalsContact C-N 3.33Å; E232-G234 PolarHBondContact O-N 3.01Å; G234-T236 VanDerWaalsContact C-N 3.31Å; G234-T236 PolarHBondContact O-N 2.97Å; G234-Q237 PolarHBondContact O-N 2.97Å; G234-A238 WeakPolarHBondContact O-CB 3.47Å; G234-A238 PolarHBondContact O-N 2.94Å |
| 235 | K | 76.9 | Confident | 82.1 | Confident | 136 Ų | 136 | 119.6 Ų | 119.6 | 59% | 0.591 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.4 | -40.5 | 175.7 | -74.7 | 170.8 | -178.4 | 176.1 | 0 | 111.8 | S231 E232 A238 R239 | S231-K235 WeakPolarHBondContact O-CB 3.44Å; S231-K235 VanDerWaalsContact O-CG 3.24Å; S231-K235 WeakPolarHBondContact O-CG 3.24Å; S231-K235 PolarHBondContact O-N 3.29Å; E232-K235 PolarHBondContact O-N 3.45Å; K235-A238 PolarHBondContact O-N 3.31Å; K235-R239 WeakPolarHBondContact O-CB 3.5Å; K235-R239 WeakPolarHBondContact O-CG 3.42Å; K235-R239 PolarHBondContact O-N 3.37Å |
| 236 | T | 78.9 | Confident | 82.3 | Confident | 75 Ų | 75 | 116.8 Ų | 116.8 | 46% | 0.46 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.1 | -43.4 | -180 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | E232 K233 G234 R239 K240 | E232-T236 WeakPolarHBondContact O-CB 3.38Å; E232-T236 PolarHBondContact O-N 3.4Å; E232-T236 PolarHBondContact O-OG1 2.89Å; K233-T236 PolarHBondContact O-N 2.95Å; G234-T236 VanDerWaalsContact C-N 3.31Å; G234-T236 PolarHBondContact O-N 2.97Å; T236-R239 PolarHBondContact O-N 2.77Å; T236-K240 WeakPolarHBondContact O-CG 3.47Å; T236-K240 PolarHBondContact O-N 3.47Å |
| 237 | Q | 82.3 | Confident | 82.7 | Confident | 134 Ų | 134 | 119.7 Ų | 119.7 | 63% | 0.626 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.8 | -43 | 174.9 | -72.5 | -173.5 | 2.7 | 0 | 0 | 112.2 | K233 G234 R239 K240 M241 | K233-Q237 WeakPolarHBondContact O-CG 3.34Å; K233-Q237 PolarHBondContact O-N 3.1Å; G234-Q237 PolarHBondContact O-N 2.97Å; Q237-R239 VanDerWaalsContact C-N 3.34Å; Q237-R239 PolarHBondContact O-N 3.34Å; Q237-K240 PolarHBondContact O-N 3.01Å; Q237-M241 PolarHBondContact O-N 2.94Å |
| 238 | A | 81.8 | Confident | 83.2 | Confident | 54 Ų | 54 | 120 Ų | 120 | 45% | 0.446 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.2 | -44.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | G234 K235 K240 M241 Q242 | G234-A238 WeakPolarHBondContact O-CB 3.47Å; G234-A238 PolarHBondContact O-N 2.94Å; K235-A238 PolarHBondContact O-N 3.31Å; A238-K240 PolarHBondContact O-N 3.44Å; A238-M241 PolarHBondContact O-N 2.97Å; A238-Q242 WeakPolarHBondContact O-CB 3.47Å; A238-Q242 PolarHBondContact O-N 3.4Å |
| 239 | R | 85.4 | Confident | 83.8 | Confident | 179 Ų | 179 | 120.9 Ų | 120.9 | 68% | 0.675 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.2 | -42.9 | 174.3 | -76 | 177.5 | 175.7 | -173.5 | -0.4 | 112.1 | K235 T236 Q237 Q242 R243 | K235-R239 WeakPolarHBondContact O-CB 3.5Å; K235-R239 WeakPolarHBondContact O-CG 3.42Å; K235-R239 PolarHBondContact O-N 3.37Å; T236-R239 PolarHBondContact O-N 2.77Å; Q237-R239 VanDerWaalsContact C-N 3.34Å; Q237-R239 PolarHBondContact O-N 3.34Å; R239-Q242 PolarHBondContact O-N 3.12Å; R239-R243 WeakPolarHBondContact O-CG 3.48Å; R239-R243 PolarHBondContact O-N 3.18Å |
| 240 | K | 88.3 | Confident | 84.2 | Confident | 142 Ų | 142 | 124.9 Ų | 124.9 | 62% | 0.617 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.7 | -44.8 | 175.9 | -76.5 | -177.9 | 179.4 | -178.5 | 0 | 111.8 | T236 Q237 A238 R243 K244 | T236-K240 WeakPolarHBondContact O-CG 3.47Å; T236-K240 PolarHBondContact O-N 3.47Å; Q237-K240 PolarHBondContact O-N 3.01Å; A238-K240 PolarHBondContact O-N 3.44Å; K240-R243 PolarHBondContact O-N 3.43Å; K240-K244 PolarHBondContact O-N 3.37Å; K240-K244 VanDerWaalsContact O-N 3.12Å |
| 241 | M | 86.6 | Confident | 84.7 | Confident | 140 Ų | 140 | 120.9 Ų | 120.9 | 69% | 0.69 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.7 | -41.4 | 176.4 | -78.8 | -145.4 | -84.6 | 0 | 0 | 112.5 | Q237 A238 K244 K245 | Q237-M241 PolarHBondContact O-N 2.94Å; A238-M241 PolarHBondContact O-N 2.97Å; M241-K244 PolarHBondContact O-N 3.32Å; M241-K245 PolarHBondContact O-N 2.99Å |
| 242 | Q | 88.4 | Confident | 85.3 | Confident | 119 Ų | 119 | 125.8 Ų | 125.8 | 56% | 0.556 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.7 | -40.5 | 177.8 | -165.3 | 176.8 | 6.7 | 0 | 0 | 111.9 | A238 R239 K245 N246 | A238-Q242 WeakPolarHBondContact O-CB 3.47Å; A238-Q242 PolarHBondContact O-N 3.4Å; R239-Q242 PolarHBondContact O-N 3.12Å; Q242-K245 PolarHBondContact O-N 2.93Å; Q242-N246 WeakPolarHBondContact O-CB 3.46Å; Q242-N246 VanDerWaalsContact O-CG 3.27Å; Q242-N246 PolarHBondContact O-N 3.4Å |
| 243 | R | 90.5 | Very high | 85.8 | Confident | 190 Ų | 190 | 126 Ų | 126 | 72% | 0.717 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -59 | -47.4 | 173.1 | -77.5 | -177.5 | 175.8 | -172.6 | -0.5 | 111.9 | R239 K240 K245 N246 Q247 | R239-R243 WeakPolarHBondContact O-CG 3.48Å; R239-R243 PolarHBondContact O-N 3.18Å; K240-R243 PolarHBondContact O-N 3.43Å; R243-K245 PolarHBondContact O-N 3.44Å; R243-N246 PolarHBondContact O-N 2.96Å; R243-Q247 PolarHBondContact O-N 3.09Å |
| 244 | K | 90.8 | Very high | 86.1 | Confident | 154 Ų | 154 | 125.6 Ų | 125.6 | 67% | 0.67 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -59.7 | -42.9 | 175.8 | -73.8 | -173.5 | 176.6 | -175.5 | 0 | 112.1 | K240 M241 Q247 K248 | K240-K244 PolarHBondContact O-N 3.37Å; K240-K244 VanDerWaalsContact O-N 3.12Å; M241-K244 PolarHBondContact O-N 3.32Å; K244-Q247 PolarHBondContact O-N 3.49Å; K244-K248 PolarHBondContact O-N 3.26Å |
| 245 | K | 91 | Very high | 86.5 | Confident | 136 Ų | 136 | 132.9 Ų | 132.9 | 59% | 0.591 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63 | -42.1 | 177.1 | -168.4 | 174.2 | -175.7 | 174.2 | 0 | 111.8 | M241 Q242 R243 K248 K249 | M241-K245 PolarHBondContact O-N 2.99Å; Q242-K245 PolarHBondContact O-N 2.93Å; R243-K245 PolarHBondContact O-N 3.44Å; K245-K248 PolarHBondContact O-N 3.3Å; K245-K249 WeakPolarHBondContact O-CG 3.46Å; K245-K249 PolarHBondContact O-N 3.04Å; K245-K249 VanDerWaalsContact O-N 3.09Å |
| 246 | N | 89.3 | Confident | 86.7 | Confident | 78 Ų | 78 | 134.4 Ų | 134.4 | 42% | 0.417 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.3 | -39.4 | 178.2 | -71.8 | -12.6 | 0 | 0 | 0 | 112.2 | Q242 R243 K249 K250 | Q242-N246 WeakPolarHBondContact O-CB 3.46Å; Q242-N246 VanDerWaalsContact O-CG 3.27Å; Q242-N246 PolarHBondContact O-N 3.4Å; R243-N246 PolarHBondContact O-N 2.96Å; N246-K249 PolarHBondContact O-N 2.99Å; N246-K250 PolarHBondContact O-N 3.43Å |
| 247 | Q | 88.3 | Confident | 86.7 | Confident | 133 Ų | 133 | 138.8 Ų | 138.8 | 62% | 0.621 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.7 | -47.9 | 173.6 | -76.5 | 178.8 | -11.7 | 0 | 0 | 112 | R243 K244 K249 K250 V251 | R243-Q247 PolarHBondContact O-N 3.09Å; K244-Q247 PolarHBondContact O-N 3.49Å; Q247-K249 VanDerWaalsContact C-N 3.28Å; Q247-K249 PolarHBondContact O-N 3.11Å; Q247-K250 PolarHBondContact O-N 3.36Å; Q247-K250 VanDerWaalsContact O-N 3.11Å; Q247-V251 WeakPolarHBondContact O-CG2 3.46Å; Q247-V251 PolarHBondContact O-N 3.29Å |
| 248 | K | 89.5 | Confident | 86.4 | Confident | 162 Ų | 162 | 140 Ų | 140 | 70% | 0.704 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -56 | -41.5 | 174.8 | -93.9 | -175 | 175.2 | 179.6 | 0 | 112.2 | K244 K245 K252 | K244-K248 PolarHBondContact O-N 3.26Å; K245-K248 PolarHBondContact O-N 3.3Å; K248-K252 WeakPolarHBondContact O-CG 3.49Å; K248-K252 PolarHBondContact O-N 3.05Å |
| 249 | K | 90.3 | Very high | 85.8 | Confident | 130 Ų | 130 | 139.6 Ų | 139.6 | 57% | 0.565 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.6 | -42.5 | 176.1 | -75.5 | -176.9 | 176.2 | -172.6 | 0 | 112.4 | K245 N246 Q247 K252 K253 | K245-K249 WeakPolarHBondContact O-CG 3.46Å; K245-K249 PolarHBondContact O-N 3.04Å; K245-K249 VanDerWaalsContact O-N 3.09Å; N246-K249 PolarHBondContact O-N 2.99Å; Q247-K249 VanDerWaalsContact C-N 3.28Å; Q247-K249 PolarHBondContact O-N 3.11Å; K249-K252 PolarHBondContact O-N 2.99Å; K249-K253 WeakPolarHBondContact O-CB 3.46Å; K249-K253 PolarHBondContact O-N 2.98Å |
| 250 | K | 89.8 | Confident | 84.9 | Confident | 154 Ų | 154 | 138.4 Ų | 138.4 | 67% | 0.67 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -61 | -46.7 | 176.1 | -76.9 | -173.4 | 177 | -173.2 | 0 | 111.7 | N246 Q247 K252 K253 Q254 | N246-K250 PolarHBondContact O-N 3.43Å; Q247-K250 PolarHBondContact O-N 3.36Å; Q247-K250 VanDerWaalsContact O-N 3.11Å; K250-K252 PolarHBondContact O-N 3.45Å; K250-K253 PolarHBondContact O-N 3.27Å; K250-Q254 PolarHBondContact O-N 3.21Å |
| 251 | V | 88.6 | Confident | 83.6 | Confident | 76 Ų | 76 | 139.8 Ų | 139.8 | 46% | 0.461 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.6 | -44.9 | 177.8 | 176 | 0 | 0 | 0 | 0 | 111.4 | Q247 K253 Q254 R255 | Q247-V251 WeakPolarHBondContact O-CG2 3.46Å; Q247-V251 PolarHBondContact O-N 3.29Å; V251-K253 VanDerWaalsContact C-N 3.34Å; V251-K253 PolarHBondContact O-N 2.95Å; V251-Q254 PolarHBondContact O-N 3.49Å; V251-R255 PolarHBondContact O-N 3.06Å |
| 252 | K | 87.8 | Confident | 82.2 | Confident | 151 Ų | 151 | 141.7 Ų | 141.7 | 66% | 0.657 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -59.6 | -42.5 | 174.9 | -76.6 | -172.9 | 176.8 | -169.3 | 0 | 112.1 | K248 K249 K250 R255 K256 | K248-K252 WeakPolarHBondContact O-CG 3.49Å; K248-K252 PolarHBondContact O-N 3.05Å; K249-K252 PolarHBondContact O-N 2.99Å; K250-K252 PolarHBondContact O-N 3.45Å; K252-R255 PolarHBondContact O-N 3.42Å; K252-K256 WeakPolarHBondContact O-CG 3.46Å; K252-K256 PolarHBondContact O-N 2.98Å |
| 253 | K | 85.8 | Confident | 80.7 | Confident | 131 Ų | 131 | 139.8 Ų | 139.8 | 57% | 0.57 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.1 | -39.2 | 177.9 | -167.9 | 174.5 | -178.4 | 177.2 | 0 | 111.9 | K249 K250 V251 R257 | K249-K253 WeakPolarHBondContact O-CB 3.46Å; K249-K253 PolarHBondContact O-N 2.98Å; K250-K253 PolarHBondContact O-N 3.27Å; V251-K253 VanDerWaalsContact C-N 3.34Å; V251-K253 PolarHBondContact O-N 2.95Å; K253-R257 WeakPolarHBondContact O-CG 3.48Å; K253-R257 PolarHBondContact O-N 3.42Å; K253-R257 VanDerWaalsContact O-N 3.13Å |
| 254 | Q | 83 | Confident | 79 | Confident | 125 Ų | 125 | 136.5 Ų | 136.5 | 58% | 0.584 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.4 | -43.2 | 174.9 | -74.2 | -176.3 | -4.1 | 0 | 0 | 112.5 | K250 V251 K256 R257 K258 | K250-Q254 PolarHBondContact O-N 3.21Å; V251-Q254 PolarHBondContact O-N 3.49Å; Q254-K256 PolarHBondContact O-N 3.2Å; Q254-R257 PolarHBondContact O-N 2.95Å; Q254-K258 PolarHBondContact O-N 3.13Å |
| 255 | R | 83.5 | Confident | 77 | Confident | 191 Ų | 191 | 137.3 Ų | 137.3 | 72% | 0.721 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -59.2 | -43.8 | 175 | -76.7 | -172.7 | 170.9 | -166.6 | -2.5 | 112.1 | V251 K252 R257 K258 G259 | V251-R255 PolarHBondContact O-N 3.06Å; K252-R255 PolarHBondContact O-N 3.42Å; R255-R257 VanDerWaalsContact C-N 3.35Å; R255-R257 PolarHBondContact O-N 2.93Å; R255-K258 PolarHBondContact O-N 3.29Å; R255-G259 PolarHBondContact O-N 3.44Å |
| 256 | K | 80.2 | Confident | 75 | Confident | 169 Ų | 169 | 136.4 Ų | 136.4 | 74% | 0.735 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -60.4 | -40.8 | 174.9 | -73.2 | -170.4 | 175.3 | -163.3 | 0 | 112.8 | K252 Q254 G259 K260 | K252-K256 WeakPolarHBondContact O-CG 3.46Å; K252-K256 PolarHBondContact O-N 2.98Å; Q254-K256 PolarHBondContact O-N 3.2Å; K256-G259 PolarHBondContact O-N 3.49Å; K256-K260 PolarHBondContact O-N 3.16Å; K256-K260 VanDerWaalsContact O-N 3.1Å |
| 257 | R | 79.6 | Confident | 72.9 | Confident | 167 Ų | 167 | 141.7 Ų | 141.7 | 63% | 0.63 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -65.6 | -41.1 | 176.2 | -74.6 | 179.2 | 172 | -174.3 | -4.9 | 112.6 | K253 Q254 R255 K261 | K253-R257 WeakPolarHBondContact O-CG 3.48Å; K253-R257 PolarHBondContact O-N 3.42Å; K253-R257 VanDerWaalsContact O-N 3.13Å; Q254-R257 PolarHBondContact O-N 2.95Å; R255-R257 VanDerWaalsContact C-N 3.35Å; R255-R257 PolarHBondContact O-N 2.93Å; R257-K261 PolarHBondContact O-N 3.1Å |
| 258 | K | 74.9 | Confident | 70.9 | Confident | 159 Ų | 159 | 143.6 Ų | 143.6 | 69% | 0.691 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -68 | -38.5 | 176.4 | -71.3 | -169.9 | 177.3 | -171.2 | 0 | 112.4 | Q254 R255 K261 K262 | Q254-K258 PolarHBondContact O-N 3.13Å; R255-K258 PolarHBondContact O-N 3.29Å; K258-K261 PolarHBondContact O-N 3.23Å; K258-K262 PolarHBondContact O-N 3.49Å |
| 259 | G | 69.2 | Low | 68.6 | Low | 46 Ų | 46 | 143.4 Ų | 143.4 | 47% | 0.474 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -62.8 | -43.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R255 K256 K261 K262 A263 | R255-G259 PolarHBondContact O-N 3.44Å; K256-G259 PolarHBondContact O-N 3.49Å; G259-K261 PolarHBondContact O-N 3.22Å; G259-K262 PolarHBondContact O-N 3.4Å; G259-A263 PolarHBondContact O-N 3.27Å |
| 260 | K | 68.3 | Low | 66.4 | Low | 153 Ų | 153 | 143.3 Ų | 143.3 | 67% | 0.665 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -64.7 | -40.3 | 178.2 | -154.7 | 176.7 | -178.3 | -172.7 | 0 | 112.5 | K256 K262 A263 D264 | K256-K260 PolarHBondContact O-N 3.16Å; K256-K260 VanDerWaalsContact O-N 3.1Å; K260-K262 VanDerWaalsContact C-N 3.26Å; K260-K262 PolarHBondContact O-N 3.36Å; K260-A263 PolarHBondContact O-N 3.48Å; K260-A263 VanDerWaalsContact O-N 3.16Å; K260-D264 PolarHBondContact O-N 3.44Å |
| 261 | K | 59.6 | Low | 64.1 | Low | 172 Ų | 172 | 141.9 Ų | 141.9 | 75% | 0.748 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -64.9 | -21.6 | 175.6 | -78.4 | -166 | 173.9 | -164.1 | 0 | 114.9 | R257 K258 G259 | R257-K261 PolarHBondContact O-N 3.1Å; K258-K261 PolarHBondContact O-N 3.23Å; G259-K261 PolarHBondContact O-N 3.22Å |
| 262 | K | 57.2 | Low | 61.9 | Low | 180 Ų | 180 | 144 Ų | 144 | 78% | 0.783 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -85 | -22 | 174.5 | -77.1 | -162.9 | 174.8 | -167.1 | 0 | 113 | K258 G259 K260 | K258-K262 PolarHBondContact O-N 3.49Å; G259-K262 PolarHBondContact O-N 3.4Å; K260-K262 VanDerWaalsContact C-N 3.26Å; K260-K262 PolarHBondContact O-N 3.36Å |
| 263 | A | 57.7 | Low | 59.6 | Low | 79 Ų | 79 | 142.9 Ų | 142.9 | 65% | 0.653 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -78.9 | -26.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G259 K260 K265 | G259-A263 PolarHBondContact O-N 3.27Å; K260-A263 PolarHBondContact O-N 3.48Å; K260-A263 VanDerWaalsContact O-N 3.16Å; A263-K265 VanDerWaalsContact C-N 3.32Å; A263-K265 PolarHBondContact O-N 3.37Å |
| 264 | D | 54.8 | Low | 57.4 | Low | 121 Ų | 121 | 142 Ų | 142 | 65% | 0.647 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 25.1 | 177.5 | -71 | -33.7 | 0 | 0 | 0 | 113.4 | K260 P266 | K260-D264 PolarHBondContact O-N 3.44Å; D264-P266 WeakPolarHBondContact O-CD 3.45Å |
| 265 | K | 49.1 | Very low | 55.4 | Low | 171 Ų | 171 | 145.4 Ų | 145.4 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -85.9 | 115.9 | 163.5 | -84.4 | -164.9 | 173.2 | -164.1 | 0 | 107.6 | A263 H267 | A263-K265 VanDerWaalsContact C-N 3.32Å; A263-K265 PolarHBondContact O-N 3.37Å; K265-H267 PolarHBondContact O-N 3.36Å |
| 266 | P | 48.6 | Very low | 53.2 | Low | 117 Ų | 117 | 142.1 Ų | 142.1 | 76% | 0.76 | 72% | 0.718 | S | S | * | * | trans | -57.1 | 133.6 | 178.4 | -18.4 | 29.7 | 0 | 0 | 0 | 109.3 | D264 Q268 | D264-P266 WeakPolarHBondContact O-CD 3.45Å; P266-Q268 PolarHBondContact O-N 2.95Å | ||
| 267 | H | 45.8 | Very low | 51.4 | Low | 189 Ų | 189 | 139 Ų | 139 | 88% | 0.875 | 72% | 0.717 | S | S | * | * | trans | -51.7 | 106.3 | 159.3 | -114.5 | -85.1 | 0 | 0 | 0 | 106.4 | K265 E269 | K265-H267 PolarHBondContact O-N 3.36Å; H267-E269 PolarHBondContact O-N 2.93Å | ||
| 268 | Q | 45.3 | Very low | 49.5 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -66.8 | 94.2 | 154.9 | -94.2 | 177.6 | -22.3 | 0 | 0 | 104.7 | P266 L270 | P266-Q268 PolarHBondContact O-N 2.95Å; Q268-L270 PolarHBondContact O-N 3.03Å | ||
| 269 | E | 42.3 | Very low | 47.8 | Very low | 159 Ų | 159 | 135 Ų | 135 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | trans | -59.7 | 89.4 | 159.7 | -161.1 | 165.4 | -153.9 | 0 | 0 | 105.4 | H267 D271 | H267-E269 PolarHBondContact O-N 2.93Å; E269-D271 PolarHBondContact O-N 2.92Å | ||
| 270 | L | 43.6 | Very low | 46.5 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | trans | -72.8 | 90.1 | 165.8 | -77 | 169 | 0 | 0 | 0 | 105.5 | Q268 N272 | Q268-L270 PolarHBondContact O-N 3.03Å; L270-N272 PolarHBondContact O-N 3.16Å | ||
| 271 | D | 40.4 | Very low | 45.2 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 66% | 0.663 | 76% | 0.761 | S | S | * | * | trans | -60.6 | 72.8 | 156.6 | -75.8 | -32 | 0 | 0 | 0 | 108.7 | E269 T273 | E269-D271 PolarHBondContact O-N 2.92Å; D271-T273 PolarHBondContact O-N 2.79Å; D271-T273 VanDerWaalsContact O-N 3.16Å | ||
| 272 | N | 43.3 | Very low | 44.4 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 65% | 0.647 | 76% | 0.761 | S | S | * | * | trans | -86.8 | 77.4 | 162.9 | -69.9 | -8.1 | 0 | 0 | 0 | 106.6 | L270 T274 | L270-N272 PolarHBondContact O-N 3.16Å; N272-T274 PolarHBondContact O-N 2.84Å | ||
| 273 | T | 40.2 | Very low | 43.5 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -59.2 | 84.3 | 156.3 | 47.1 | 0 | 0 | 0 | 0 | 108.4 | D271 | D271-T273 PolarHBondContact O-N 2.79Å; D271-T273 VanDerWaalsContact O-N 3.16Å | ||
| 274 | T | 39.2 | Very low | 42.8 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | trans | -106 | 94.8 | 159.1 | -35.5 | 0 | 0 | 0 | 0 | 106.4 | N272 C276 | N272-T274 PolarHBondContact O-N 2.84Å; T274-C276 VanDerWaalsContact C-N 3.34Å; T274-C276 PolarHBondContact O-N 2.91Å | ||
| 275 | K | 41.3 | Very low | 42.6 | Very low | 197 Ų | 197 | 146.9 Ų | 146.9 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -54.7 | 99 | 166 | -72.1 | 175.2 | 176 | 176.1 | 0 | 107.7 | S277 | K275-S277 PolarHBondContact O-N 3.35Š| ||
| 276 | C | 36.9 | Very low | 42.2 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -73.4 | 85.4 | 165.1 | -70.7 | 0 | 0 | 0 | 0 | 107.9 | T274 N278 | T274-C276 VanDerWaalsContact C-N 3.34Å; T274-C276 PolarHBondContact O-N 2.91Å; C276-N278 PolarHBondContact O-N 2.97Å | ||
| 277 | S | 42.4 | Very low | 41.9 | Very low | 103 Ų | 103 | 147.2 Ų | 147.2 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | -69.7 | 113.4 | 165.3 | 51.2 | 0 | 0 | 0 | 0 | 109.4 | K275 | K275-S277 PolarHBondContact O-N 3.35Š| ||
| 278 | N | 39.2 | Very low | 41.7 | Very low | 165 Ų | 165 | 144.9 Ų | 144.9 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | 37.3 | 85.1 | 143.8 | -62.5 | -13.7 | 0 | 0 | 0 | 117.2 | C276 | C276-N278 PolarHBondContact O-N 2.97Š| ||
| 279 | G | 39.9 | Very low | 41.5 | Very low | 78 Ų | 78 | 143.3 Ų | 143.3 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -109.5 | 97.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 280 | K | 40.9 | Very low | 41.4 | Very low | 198 Ų | 198 | 142.3 Ų | 142.3 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | -25.2 | 125.6 | 172 | -120.8 | 161.5 | 176.4 | 174.5 | 0 | 115.6 | I282 | K280-I282 PolarHBondContact O-N 3.38Š| ||
| 281 | L | 40.6 | Very low | 41.3 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -60 | 117.9 | 158.2 | -107.3 | 81.6 | 0 | 0 | 0 | 108.7 | ||||
| 282 | I | 44.4 | Very low | 41.3 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | trans | -96.6 | 108.3 | 161 | -62.3 | 174.6 | 0 | 0 | 0 | 105.9 | K280 I284 | K280-I282 PolarHBondContact O-N 3.38Å; I282-I284 PolarHBondContact O-N 3.32Å | ||
| 283 | H | 37.7 | Very low | 41.2 | Very low | 164 Ų | 164 | 146.5 Ų | 146.5 | 76% | 0.759 | 83% | 0.83 | S | S | * | * | trans | -71.5 | 113.3 | 172.4 | -128.9 | -88.4 | 0 | 0 | 0 | 107.5 | ||||
| 284 | I | 42.3 | Very low | 41.3 | Very low | 157 Ų | 157 | 148.1 Ų | 148.1 | 81% | 0.805 | 83% | 0.834 | S | S | * | * | trans | -94.3 | 106.6 | 167.9 | -59 | 172.9 | 0 | 0 | 0 | 105.8 | I282 | I282-I284 PolarHBondContact O-N 3.32Š| ||
| 285 | S | 50.6 | Low | 41.5 | Very low | 175 Ų | 175 | 151.5 Ų | 151.5 | 100% | 1.224 | 85% | 0.848 | S | S | * | * | trans | -92.9 | 0 | 159.7 | 50.5 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 285 of 285 residues in 684.7 ms
(Link to these results)