| 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 | 46.8 | Very low | 49.7 | Very low | 244 Ų | 244 | 147.2 Ų | 147.2 | 100% | 1.202 | 81% | 0.813 | S | S | * | * | 0 | 119.9 | 0 | -74.5 | -171 | 111.6 | 0 | 0 | 107.5 | |||||
| 2 | S | 54.8 | Low | 49.1 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -54.8 | 136.8 | 169.8 | 16.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3 | S | 52.8 | Low | 48.2 | Very low | 109 Ų | 109 | 142.2 Ų | 142.2 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | 176.5 | 117.4 | 112.9 | 26.1 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 4 | E | 55 | Low | 47.6 | Very low | 169 Ų | 169 | 147.1 Ų | 147.1 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -57.9 | 133.7 | 163.2 | -70.9 | 135.6 | 142.1 | 0 | 0 | 110.2 | L6 | E4-L6 HydrophobicContact CB-CD1 4.02Š| ||
| 5 | N | 54.9 | Low | 46.6 | Very low | 150 Ų | 150 | 146.6 Ų | 146.6 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -95.8 | 99.9 | 157.3 | -75.3 | -55.6 | 0 | 0 | 0 | 106.9 | D7 | N5-D7 PolarHBondContact O-N 3.49Š| ||
| 6 | L | 51.8 | Low | 46.5 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | -74.8 | 97.3 | 160 | -98.7 | 71.4 | 0 | 0 | 0 | 107.2 | E4 S8 | E4-L6 HydrophobicContact CB-CD1 4.02Å; L6-S8 PolarHBondContact O-N 3.47Å; L6-S8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | D | 50 | Low | 46 | Very low | 161 Ų | 161 | 145.1 Ų | 145.1 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | -73.2 | 105.4 | 160.1 | -74.6 | -45.3 | 0 | 0 | 0 | 107.2 | N5 D9 | N5-D7 PolarHBondContact O-N 3.49Å; D7-D9 PolarHBondContact O-N 3.23Å | ||
| 8 | S | 49.4 | Very low | 46 | Very low | 98 Ų | 98 | 146.7 Ų | 146.7 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | trans | -68.3 | 114.7 | -177.6 | -57.2 | 0 | 0 | 0 | 0 | 109.3 | L6 T10 | L6-S8 PolarHBondContact O-N 3.47Å; L6-S8 VanDerWaalsContact O-N 3.15Å; S8-T10 PolarHBondContact O-N 3.45Å | ||
| 9 | D | 46.6 | Very low | 45.5 | Very low | 161 Ų | 161 | 146.8 Ų | 146.8 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | trans | -50 | 107.6 | 162.3 | -110.5 | -30.8 | 0 | 0 | 0 | 107.9 | D7 Q11 | D7-D9 PolarHBondContact O-N 3.23Å; D9-Q11 PolarHBondContact O-N 3.05Å | ||
| 10 | T | 44.5 | Very low | 45.3 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -79.2 | 80.5 | 172.3 | -45.4 | 0 | 0 | 0 | 0 | 106.6 | S8 V12 | S8-T10 PolarHBondContact O-N 3.45Å; T10-V12 VanDerWaalsContact C-N 3.28Å; T10-V12 PolarHBondContact O-N 2.99Å | ||
| 11 | Q | 39.9 | Very low | 45.1 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | -63.7 | 91.3 | 168.5 | -166.7 | 179.9 | -13.2 | 0 | 0 | 107.4 | D9 E13 | D9-Q11 PolarHBondContact O-N 3.05Å; Q11-E13 HydrophobicContact CG-CG 4.41Å; Q11-E13 PolarHBondContact NE2-OE1 2.85Å; Q11-E13 PolarHBondContact O-N 3.3Å | ||
| 12 | V | 42.4 | Very low | 45.1 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 63% | 0.63 | 74% | 0.742 | S | S | * | * | trans | -71.5 | 85.8 | 164.7 | -93.3 | 0 | 0 | 0 | 0 | 107.5 | T10 Y14 | T10-V12 VanDerWaalsContact C-N 3.28Å; T10-V12 PolarHBondContact O-N 2.99Å; V12-Y14 HydrophobicContact CG2-CE2 4.47Å; V12-Y14 WeakPolarHBondContact O-CD2 3.22Å; V12-Y14 PolarHBondContact O-N 3.12Å | ||
| 13 | E | 37.1 | Very low | 44.5 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 58% | 0.584 | 74% | 0.737 | S | S | * | * | trans | -55.2 | 110.3 | 158.7 | -77.1 | -99.4 | 148.5 | 0 | 0 | 108 | Q11 E15 | Q11-E13 HydrophobicContact CG-CG 4.41Å; Q11-E13 PolarHBondContact NE2-OE1 2.85Å; Q11-E13 PolarHBondContact O-N 3.3Å; E13-E15 VanDerWaalsContact C-N 3.28Å; E13-E15 PolarHBondContact O-N 2.72Å; E13-E15 VanDerWaalsContact O-N 3.16Å | ||
| 14 | Y | 39.8 | Very low | 44.3 | Very low | 211 Ų | 211 | 146.3 Ų | 146.3 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | trans | -80.1 | 86.6 | 163.5 | -68.8 | -92.6 | 0 | 0 | 0 | 106.7 | V12 D16 | V12-Y14 HydrophobicContact CG2-CE2 4.47Å; V12-Y14 WeakPolarHBondContact O-CD2 3.22Å; V12-Y14 PolarHBondContact O-N 3.12Å; Y14-D16 PolarHBondContact O-N 3.31Å; Y14-D16 VanDerWaalsContact O-N 3.11Å | ||
| 15 | E | 33.8 | Very low | 43.8 | Very low | 140 Ų | 140 | 145.4 Ų | 145.4 | 65% | 0.654 | 74% | 0.737 | S | S | * | * | trans | -61.3 | 108.1 | 166 | -77.1 | -77.4 | -173.3 | 0 | 0 | 108.4 | E13 E17 | E13-E15 VanDerWaalsContact C-N 3.28Å; E13-E15 PolarHBondContact O-N 2.72Å; E13-E15 VanDerWaalsContact O-N 3.16Å; E15-E17 PolarHBondContact O-N 3Å | ||
| 16 | D | 44.3 | Very low | 43.9 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | trans | -71.2 | 74.7 | 164.8 | -174.8 | 37.3 | 0 | 0 | 0 | 107.7 | Y14 K18 | Y14-D16 PolarHBondContact O-N 3.31Å; Y14-D16 VanDerWaalsContact O-N 3.11Å; D16-K18 PolarHBondContact O-N 2.91Å | ||
| 17 | E | 37.5 | Very low | 44 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | trans | -70.2 | 86.9 | 169.3 | -82 | -127.5 | 164.9 | 0 | 0 | 109.3 | E15 Q19 | E15-E17 PolarHBondContact O-N 3Å; E17-Q19 PolarHBondContact O-N 2.97Å; E17-Q19 PolarHBondContact OE2-NE2 2.89Å | ||
| 18 | K | 47.2 | Very low | 44.6 | Very low | 175 Ų | 175 | 137 Ų | 137 | 76% | 0.761 | 71% | 0.712 | S | S | * | * | trans | -57.4 | 78.9 | 152.8 | -77.4 | -82.4 | -167.3 | -177 | 0 | 109.5 | D16 D20 | D16-K18 PolarHBondContact O-N 2.91Å; K18-D20 VanDerWaalsContact C-N 3.27Å; K18-D20 PolarHBondContact O-N 2.72Å; K18-D20 VanDerWaalsContact O-N 3.1Å | ||
| 19 | Q | 35.4 | Very low | 45.1 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | trans | -81 | 84 | 160.3 | -73.5 | -166 | -4.9 | 0 | 0 | 109.4 | E17 S21 | E17-Q19 PolarHBondContact O-N 2.97Å; E17-Q19 PolarHBondContact OE2-NE2 2.89Å; Q19-S21 VanDerWaalsContact C-N 3.31Å; Q19-S21 PolarHBondContact O-N 3.34Å | ||
| 20 | D | 42.7 | Very low | 46 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 83% | 0.834 | 69% | 0.693 | S | S | * | * | trans | -76.2 | 87 | 156.8 | -160.5 | 15.3 | 0 | 0 | 0 | 107.8 | K18 | K18-D20 VanDerWaalsContact C-N 3.27Å; K18-D20 PolarHBondContact O-N 2.72Å; K18-D20 VanDerWaalsContact O-N 3.1Å | ||
| 21 | S | 41.2 | Very low | 47.2 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 71% | 0.713 | 68% | 0.678 | S | S | * | * | trans | -120.4 | 98.9 | 170.1 | -75.6 | 0 | 0 | 0 | 0 | 109.3 | Q19 | Q19-S21 VanDerWaalsContact C-N 3.31Å; Q19-S21 PolarHBondContact O-N 3.34Å | ||
| 22 | Q | 45.7 | Very low | 48.5 | Very low | 174 Ų | 174 | 131.5 Ų | 131.5 | 81% | 0.813 | 67% | 0.674 | S | S | * | * | trans | -52.8 | 126.7 | 166.5 | -161.8 | 174 | -10.2 | 0 | 0 | 110.6 | ||||
| 23 | E | 42.9 | Very low | 49.8 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 69% | 0.687 | 67% | 0.672 | S | S | * | * | trans | 150 | 131.3 | 131.8 | -81 | -162.1 | 177.3 | 0 | 0 | 114.5 | ||||
| 24 | K | 49 | Very low | 51.6 | Low | 171 Ų | 171 | 129.3 Ų | 129.3 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 56.2 | 81.8 | 153.6 | -62.4 | -179.1 | -168 | 173.3 | 0 | 116.7 | ||
| 25 | N | 42.6 | Very low | 53.5 | Low | 151 Ų | 151 | 125.9 Ų | 125.9 | 81% | 0.807 | 66% | 0.657 | S | S | * | * | -175.5 | 131.6 | 118.3 | -87.6 | -52.9 | 0 | 0 | 0 | 105.2 | N27 | N25-N27 PolarHBondContact O-N 3.33Š| |||
| 26 | A | 56.9 | Low | 55.5 | Low | 108 Ų | 108 | 123.5 Ų | 123.5 | 89% | 0.893 | 65% | 0.648 | S | S | * | * | trans | -64.2 | 82.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | P28 | A26-P28 VanDerWaalsContact O-CD 3.28Å; A26-P28 WeakPolarHBondContact O-CD 3.4Å | ||
| 27 | N | 55.8 | Low | 57 | Low | 82 Ų | 82 | 123.5 Ų | 123.5 | 44% | 0.439 | 64% | 0.642 | S | S | . | * | trans | -76.6 | 111.1 | -177.5 | -155 | -32 | 0 | 0 | 0 | 105.5 | N25 V29 K30 | N25-N27 PolarHBondContact O-N 3.33Å; N27-V29 PolarHBondContact O-N 3Å; N27-K30 PolarHBondContact O-N 2.87Å | ||
| 28 | P | 61.6 | Low | 58.9 | Low | 84 Ų | 84 | 121 Ų | 121 | 55% | 0.545 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -54.8 | -27.7 | -172.5 | 22 | -33.7 | 0 | 0 | 0 | 112 | A26 K30 A31 E32 | A26-P28 VanDerWaalsContact O-CD 3.28Å; A26-P28 WeakPolarHBondContact O-CD 3.4Å; P28-K30 PolarHBondContact O-N 2.83Å; P28-A31 PolarHBondContact O-N 3.25Å; P28-E32 WeakPolarHBondContact O-CB 3.35Å; P28-E32 WeakPolarHBondContact O-CG 3.41Å; P28-E32 PolarHBondContact O-N 3.28Å |
| 29 | V | 60.6 | Low | 60.8 | Low | 81 Ų | 81 | 120 Ų | 120 | 49% | 0.491 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -54.6 | -48.3 | 174 | -175 | 0 | 0 | 0 | 0 | 112.3 | N27 A31 E32 E33 | N27-V29 PolarHBondContact O-N 3Å; V29-A31 PolarHBondContact O-N 3.16Å; V29-E32 PolarHBondContact O-N 3.41Å; V29-E33 WeakPolarHBondContact O-CG 3.33Å; V29-E33 PolarHBondContact O-N 3.13Å |
| 30 | K | 64.9 | Low | 62.9 | Low | 151 Ų | 151 | 119.4 Ų | 119.4 | 66% | 0.657 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.9 | -34.7 | -178.8 | -64.9 | -171.1 | 179.9 | -177 | 0 | 112.2 | N27 P28 A34 | N27-K30 PolarHBondContact O-N 2.87Å; P28-K30 PolarHBondContact O-N 2.83Å; K30-A34 WeakPolarHBondContact O-CB 3.42Å; K30-A34 PolarHBondContact O-N 3.13Å |
| 31 | A | 69.3 | Low | 64.4 | Low | 52 Ų | 52 | 117.9 Ų | 117.9 | 43% | 0.43 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -72.1 | -36.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | P28 V29 K35 | P28-A31 PolarHBondContact O-N 3.25Å; V29-A31 PolarHBondContact O-N 3.16Å; A31-K35 WeakPolarHBondContact O-CG 3.33Å; A31-K35 PolarHBondContact O-N 2.8Å; A31-K35 VanDerWaalsContact O-N 3.16Å |
| 32 | E | 67.9 | Low | 65.9 | Low | 133 Ų | 133 | 116.1 Ų | 116.1 | 62% | 0.621 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.9 | -41.8 | 173.5 | -73.9 | -177.7 | -176.1 | 0 | 0 | 111.6 | P28 V29 A34 K35 L36 | P28-E32 WeakPolarHBondContact O-CB 3.35Å; P28-E32 WeakPolarHBondContact O-CG 3.41Å; P28-E32 PolarHBondContact O-N 3.28Å; V29-E32 PolarHBondContact O-N 3.41Å; E32-A34 PolarHBondContact O-N 2.89Å; E32-K35 PolarHBondContact O-N 3.04Å; E32-L36 VanDerWaalsContact O-CB 3.32Å; E32-L36 WeakPolarHBondContact O-CB 3.3Å; E32-L36 PolarHBondContact O-N 3.45Å |
| 33 | E | 68.9 | Low | 67 | Low | 123 Ų | 123 | 112.8 Ų | 112.8 | 58% | 0.575 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -60.7 | -40.9 | 173.4 | -76.6 | 179.8 | 177.7 | 0 | 0 | 112.7 | V29 L36 K37 | V29-E33 WeakPolarHBondContact O-CG 3.33Å; V29-E33 PolarHBondContact O-N 3.13Å; E33-L36 WeakPolarHBondContact O-CB 3.33Å; E33-L36 PolarHBondContact O-N 3.24Å; E33-K37 WeakPolarHBondContact O-CB 3.32Å; E33-K37 PolarHBondContact O-N 2.99Å |
| 34 | A | 75.1 | Confident | 68.1 | Low | 60 Ų | 60 | 107.6 Ų | 107.6 | 50% | 0.496 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.2 | -42.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K30 E32 L36 K37 A38 | K30-A34 WeakPolarHBondContact O-CB 3.42Å; K30-A34 PolarHBondContact O-N 3.13Å; E32-A34 PolarHBondContact O-N 2.89Å; A34-L36 VanDerWaalsContact C-N 3.32Å; A34-K37 PolarHBondContact O-N 2.94Å; A34-A38 WeakPolarHBondContact O-CB 3.46Å; A34-A38 PolarHBondContact O-N 3.42Å |
| 35 | K | 81.2 | Confident | 68.8 | Low | 138 Ų | 138 | 108.3 Ų | 108.3 | 60% | 0.6 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65 | -37.4 | 173.9 | -71 | 170.4 | -175.4 | 172.6 | 0 | 111.5 | A31 E32 K39 | A31-K35 WeakPolarHBondContact O-CG 3.33Å; A31-K35 PolarHBondContact O-N 2.8Å; A31-K35 VanDerWaalsContact O-N 3.16Å; E32-K35 PolarHBondContact O-N 3.04Å; K35-K39 WeakPolarHBondContact O-CB 3.47Å; K35-K39 VanDerWaalsContact O-CG 3.22Å; K35-K39 WeakPolarHBondContact O-CG 3.49Å; K35-K39 PolarHBondContact O-N 2.92Å |
| 36 | L | 74.3 | Confident | 69.9 | Low | 91 Ų | 91 | 107.5 Ų | 107.5 | 48% | 0.476 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.4 | -44 | 177.1 | -155.6 | 91.2 | 0 | 0 | 0 | 110.8 | E32 E33 A34 K39 Y40 L43 | E32-L36 VanDerWaalsContact O-CB 3.32Å; E32-L36 WeakPolarHBondContact O-CB 3.3Å; E32-L36 PolarHBondContact O-N 3.45Å; E33-L36 WeakPolarHBondContact O-CB 3.33Å; E33-L36 PolarHBondContact O-N 3.24Å; A34-L36 VanDerWaalsContact C-N 3.32Å; L36-K39 PolarHBondContact O-N 3.47Å; L36-Y40 HydrophobicContact CG-CD2 4.33Å; L36-Y40 WeakPolarHBondContact O-CD2 3.31Å; L36-Y40 PolarHBondContact O-N 3.27Å; L36-L43 HydrophobicContact CD2-CD2 3.41Å; L36-L43 VanDerWaalsContact CD2-CD2 3.41Å; L36-L43 HydrophobicContact CD2-CG 4.39Å; L36-L43 HydrophobicContact CG-CD2 3.72Å |
| 37 | K | 76.4 | Confident | 70.2 | Confident | 131 Ų | 131 | 109.1 Ų | 109.1 | 57% | 0.57 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66 | -39.5 | 175.7 | -172.5 | 174.5 | -177.3 | 177.9 | 0 | 112.3 | E33 A34 K39 Y40 P41 | E33-K37 WeakPolarHBondContact O-CB 3.32Å; E33-K37 PolarHBondContact O-N 2.99Å; A34-K37 PolarHBondContact O-N 2.94Å; K37-K39 VanDerWaalsContact C-N 3.34Å; K37-Y40 CarbonylContact O-C 3.08Å; K37-Y40 PolarHBondContact O-N 3.44Å; K37-P41 WeakPolarHBondContact O-CA 3.36Å |
| 38 | A | 77.9 | Confident | 70.8 | Confident | 83 Ų | 83 | 107 Ų | 107 | 69% | 0.686 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.9 | -36.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A34 | A34-A38 WeakPolarHBondContact O-CB 3.46Å; A34-A38 PolarHBondContact O-N 3.42Å |
| 39 | K | 87.5 | Confident | 71.6 | Confident | 153 Ų | 153 | 105.5 Ų | 105.5 | 67% | 0.665 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.8 | -31.1 | 174.9 | -74.2 | 174.8 | -179.2 | -176.2 | 0 | 112.7 | K35 L36 K37 | K35-K39 WeakPolarHBondContact O-CB 3.47Å; K35-K39 VanDerWaalsContact O-CG 3.22Å; K35-K39 WeakPolarHBondContact O-CG 3.49Å; K35-K39 PolarHBondContact O-N 2.92Å; L36-K39 PolarHBondContact O-N 3.47Å; K37-K39 VanDerWaalsContact C-N 3.34Å |
| 40 | Y | 78.1 | Confident | 72.6 | Confident | 137 Ų | 137 | 104.8 Ų | 104.8 | 54% | 0.537 | 60% | 0.595 | S | S | . | * | trans | -132.4 | 82.3 | -176.8 | -54.7 | -72.9 | 0 | 0 | 0 | 109.9 | L36 K37 G42 L43 | L36-Y40 HydrophobicContact CG-CD2 4.33Å; L36-Y40 WeakPolarHBondContact O-CD2 3.31Å; L36-Y40 PolarHBondContact O-N 3.27Å; K37-Y40 CarbonylContact O-C 3.08Å; K37-Y40 PolarHBondContact O-N 3.44Å; Y40-G42 PolarHBondContact O-N 3.01Å; Y40-L43 HydrophobicContact CD2-CD2 3.67Å; Y40-L43 HydrophobicContact CG-CD2 3.97Å; Y40-L43 VanDerWaalsContact O-CB 3.3Å; Y40-L43 WeakPolarHBondContact O-CB 3.36Å; Y40-L43 PolarHBondContact O-N 2.94Å | ||
| 41 | P | 75.1 | Confident | 73.2 | Confident | 123 Ų | 123 | 103 Ų | 103 | 80% | 0.799 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -0.1 | -175.7 | 23.1 | -32.5 | 0 | 0 | 0 | 115.1 | K37 | K37-P41 WeakPolarHBondContact O-CA 3.36Š|
| 42 | G | 72.4 | Confident | 73.8 | Confident | 65 Ų | 65 | 108 Ų | 108 | 67% | 0.67 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.8 | 7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115 | Y40 G44 | Y40-G42 PolarHBondContact O-N 3.01Å; G42-G44 VanDerWaalsContact C-N 3.32Å |
| 43 | L | 69.6 | Low | 74.5 | Confident | 104 Ų | 104 | 105.6 Ų | 105.6 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -85.3 | -3 | -174.5 | -167.5 | 58.9 | 0 | 0 | 0 | 113.7 | L36 Y40 | L36-L43 HydrophobicContact CD2-CD2 3.41Å; L36-L43 VanDerWaalsContact CD2-CD2 3.41Å; L36-L43 HydrophobicContact CD2-CG 4.39Å; L36-L43 HydrophobicContact CG-CD2 3.72Å; Y40-L43 HydrophobicContact CD2-CD2 3.67Å; Y40-L43 HydrophobicContact CG-CD2 3.97Å; Y40-L43 VanDerWaalsContact O-CB 3.3Å; Y40-L43 WeakPolarHBondContact O-CB 3.36Å; Y40-L43 PolarHBondContact O-N 2.94Å |
| 44 | G | 65.3 | Low | 75.2 | Confident | 39 Ų | 39 | 102 Ų | 102 | 40% | 0.402 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -119.5 | 132.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G42 | G42-G44 VanDerWaalsContact C-N 3.32Š|
| 45 | Q | 64.2 | Low | 75.6 | Confident | 186 Ų | 186 | 105.4 Ų | 105.4 | 87% | 0.869 | 58% | 0.583 | S | S | * | * | trans | 61.1 | 50.9 | 159.5 | -53.5 | -67.5 | -5 | 0 | 0 | 115.3 | ||||
| 46 | K | 65.9 | Low | 75.7 | Confident | 134 Ų | 134 | 107.2 Ų | 107.2 | 58% | 0.583 | 59% | 0.586 | S | S | * | * | trans | -77.8 | 133.6 | 152.1 | -76.6 | -166.4 | 158.7 | 179.2 | 0 | 108.4 | G48 G49 | K46-G48 PolarHBondContact O-N 3.42Å; K46-G49 PolarHBondContact O-N 2.98Å; K46-G49 VanDerWaalsContact O-N 3.09Å | ||
| 47 | P | 61.3 | Low | 76 | Confident | 141 Ų | 141 | 108.3 Ų | 108.3 | 92% | 0.916 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | 108.5 | 170.8 | 24.3 | -31.4 | 0 | 0 | 0 | 107.3 | ||
| 48 | G | 69.1 | Low | 76.3 | Confident | 39 Ų | 39 | 109.6 Ų | 109.6 | 40% | 0.402 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 127.7 | -4.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | K46 M54 | K46-G48 PolarHBondContact O-N 3.42Å; G48-M54 WeakPolarHBondContact O-CE 3.18Å |
| 49 | G | 77.9 | Confident | 76.2 | Confident | 51 Ų | 51 | 112.6 Ų | 112.6 | 53% | 0.526 | 60% | 0.598 | S | S | . | * | S | Bend | trans | 75.4 | -144.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K46 | K46-G49 PolarHBondContact O-N 2.98Å; K46-G49 VanDerWaalsContact O-N 3.09Å |
| 50 | S | 81.8 | Confident | 75.6 | Confident | 67 Ų | 67 | 107.4 Ų | 107.4 | 47% | 0.469 | 59% | 0.587 | S | S | . | * | trans | -73.5 | 135.7 | -172.7 | 74.5 | 0 | 0 | 0 | 0 | 113 | F52 L53 M54 | S50-F52 PolarHBondContact O-N 3.02Å; S50-F52 VanDerWaalsContact O-N 3.13Å; S50-L53 WeakPolarHBondContact O-CA 3.28Å; S50-L53 WeakPolarHBondContact O-CB 3.36Å; S50-L53 PolarHBondContact O-N 2.94Å; S50-L53 WeakPolarHBondContact OG-CB 3.45Å; S50-L53 PolarHBondContact OG-N 3.01Å; S50-M54 PolarHBondContact O-N 2.68Å | ||
| 51 | D | 78.9 | Confident | 75.6 | Confident | 113 Ų | 113 | 108.5 Ų | 108.5 | 60% | 0.604 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -55.2 | -32.8 | 176.5 | -78.5 | -25.3 | 0 | 0 | 0 | 112.6 | M54 K55 | D51-M54 PolarHBondContact O-N 3.04Å; D51-K55 WeakPolarHBondContact O-CB 3.39Å; D51-K55 PolarHBondContact O-N 2.93Å |
| 52 | F | 81.5 | Confident | 75.8 | Confident | 157 Ų | 157 | 111.7 Ų | 111.7 | 69% | 0.689 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.4 | -44.8 | 174.6 | -179.1 | -98.8 | 0 | 0 | 0 | 112 | S50 K55 R56 | S50-F52 PolarHBondContact O-N 3.02Å; S50-F52 VanDerWaalsContact O-N 3.13Å; F52-K55 PolarHBondContact O-N 3.03Å; F52-R56 WeakPolarHBondContact O-CB 3.45Å; F52-R56 PolarHBondContact O-N 2.84Å |
| 53 | L | 81.4 | Confident | 76.1 | Confident | 82 Ų | 82 | 118.2 Ų | 118.2 | 43% | 0.429 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64 | -44.5 | 175.8 | -177.2 | 64 | 0 | 0 | 0 | 110.4 | S50 K55 R56 L57 | S50-L53 WeakPolarHBondContact O-CA 3.28Å; S50-L53 WeakPolarHBondContact O-CB 3.36Å; S50-L53 PolarHBondContact O-N 2.94Å; S50-L53 WeakPolarHBondContact OG-CB 3.45Å; S50-L53 PolarHBondContact OG-N 3.01Å; L53-K55 PolarHBondContact O-N 3.13Å; L53-R56 WeakPolarHBondContact O-CB 3.11Å; L53-R56 PolarHBondContact O-N 2.95Å; L53-R56 VanDerWaalsContact O-N 3.09Å; L53-L57 HydrophobicContact CD1-CD1 4.49Å; L53-L57 HydrophobicContact CD1-CG 4.34Å; L53-L57 HydrophobicContact CG-CD1 4.22Å; L53-L57 HydrophobicContact CG-CG 4.42Å; L53-L57 WeakPolarHBondContact O-CG 3.38Å; L53-L57 PolarHBondContact O-N 3.23Å |
| 54 | M | 83.6 | Confident | 76.8 | Confident | 49 Ų | 49 | 118.9 Ų | 118.9 | 24% | 0.241 | 60% | 0.603 | C | S | . | * | H | α-helix | trans | -59.6 | -45 | 176.4 | -67 | -56.3 | 92.6 | 0 | 0 | 112.1 | G48 S50 D51 R56 L57 Q58 | G48-M54 WeakPolarHBondContact O-CE 3.18Å; S50-M54 PolarHBondContact O-N 2.68Å; D51-M54 PolarHBondContact O-N 3.04Å; M54-R56 VanDerWaalsContact C-N 3.25Å; M54-R56 PolarHBondContact O-N 3.16Å; M54-L57 HydrophobicContact CE-CD1 3.64Å; M54-L57 PolarHBondContact O-N 3.41Å; M54-Q58 WeakPolarHBondContact O-CB 3.21Å; M54-Q58 WeakPolarHBondContact O-CG 3.03Å; M54-Q58 PolarHBondContact O-N 3.21Å |
| 55 | K | 84.6 | Confident | 77.7 | Confident | 131 Ų | 131 | 122 Ų | 122 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.4 | -29.1 | 176.5 | -169.3 | 159.9 | -176.2 | 162.2 | 0 | 113.1 | D51 F52 L53 K59 | D51-K55 WeakPolarHBondContact O-CB 3.39Å; D51-K55 PolarHBondContact O-N 2.93Å; F52-K55 PolarHBondContact O-N 3.03Å; L53-K55 PolarHBondContact O-N 3.13Å; K55-K59 WeakPolarHBondContact O-CG 3.26Å; K55-K59 PolarHBondContact O-N 3.46Å |
| 56 | R | 82.1 | Confident | 78.6 | Confident | 176 Ų | 176 | 118.3 Ų | 118.3 | 66% | 0.664 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.3 | -42.1 | 175.5 | -171.9 | 173.3 | -177.6 | 145.5 | -0.6 | 111.6 | F52 L53 M54 | F52-R56 WeakPolarHBondContact O-CB 3.45Å; F52-R56 PolarHBondContact O-N 2.84Å; L53-R56 WeakPolarHBondContact O-CB 3.11Å; L53-R56 PolarHBondContact O-N 2.95Å; L53-R56 VanDerWaalsContact O-N 3.09Å; M54-R56 VanDerWaalsContact C-N 3.25Å; M54-R56 PolarHBondContact O-N 3.16Å |
| 57 | L | 82.3 | Confident | 79.8 | Confident | 113 Ų | 113 | 113.7 Ų | 113.7 | 59% | 0.592 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.6 | -41.4 | 176.2 | -65.5 | -178.1 | 0 | 0 | 0 | 111.6 | L53 M54 K59 G60 | L53-L57 HydrophobicContact CD1-CD1 4.49Å; L53-L57 HydrophobicContact CD1-CG 4.34Å; L53-L57 HydrophobicContact CG-CD1 4.22Å; L53-L57 HydrophobicContact CG-CG 4.42Å; L53-L57 WeakPolarHBondContact O-CG 3.38Å; L53-L57 PolarHBondContact O-N 3.23Å; M54-L57 HydrophobicContact CE-CD1 3.64Å; M54-L57 PolarHBondContact O-N 3.41Å; L57-K59 PolarHBondContact O-N 3.34Å; L57-G60 PolarHBondContact O-N 3.43Å |
| 58 | Q | 81.3 | Confident | 81.1 | Confident | 158 Ų | 158 | 110 Ų | 110 | 74% | 0.738 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.1 | -29.3 | 176.7 | -76.3 | 169.6 | 4.3 | 0 | 0 | 113.3 | M54 G60 | M54-Q58 WeakPolarHBondContact O-CB 3.21Å; M54-Q58 WeakPolarHBondContact O-CG 3.03Å; M54-Q58 PolarHBondContact O-N 3.21Å; Q58-G60 PolarHBondContact O-N 3.44Å; Q58-G60 VanDerWaalsContact O-N 3.15Å |
| 59 | K | 75.5 | Confident | 82 | Confident | 147 Ų | 147 | 114.3 Ų | 114.3 | 64% | 0.639 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -4.1 | 176.1 | -86.4 | 172.8 | 174.3 | -179.7 | 0 | 113.7 | K55 L57 | K55-K59 WeakPolarHBondContact O-CG 3.26Å; K55-K59 PolarHBondContact O-N 3.46Å; L57-K59 PolarHBondContact O-N 3.34Å |
| 60 | G | 75.3 | Confident | 82.4 | Confident | 44 Ų | 44 | 117.5 Ų | 117.5 | 45% | 0.454 | 58% | 0.578 | S | S | . | * | trans | 63.3 | 167 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L57 Q58 K62 | L57-G60 PolarHBondContact O-N 3.43Å; Q58-G60 PolarHBondContact O-N 3.44Å; Q58-G60 VanDerWaalsContact O-N 3.15Å; G60-K62 PolarHBondContact O-N 2.91Å | ||
| 61 | Q | 77.5 | Confident | 82.6 | Confident | 160 Ų | 160 | 118.8 Ų | 118.8 | 75% | 0.748 | 58% | 0.578 | S | S | * | * | trans | -73 | 108.5 | 163.7 | -64.4 | -59.5 | -31.5 | 0 | 0 | 107.4 | Y63 | Q61-Y63 HydrophobicContact CB-CE1 4.42Å; Q61-Y63 HydrophobicContact CB-CE2 4.25Å; Q61-Y63 WeakPolarHBondContact O-CD2 3.2Å; Q61-Y63 PolarHBondContact O-N 2.8Å; Q61-Y63 VanDerWaalsContact O-N 3.12Å | ||
| 62 | K | 79.6 | Confident | 82.4 | Confident | 189 Ų | 189 | 115.7 Ų | 115.7 | 82% | 0.822 | 57% | 0.568 | S | S | * | * | trans | -78.5 | 96.5 | 172.5 | -67.4 | -177.9 | 70.7 | 75.6 | 0 | 107.5 | G60 | G60-K62 PolarHBondContact O-N 2.91Š| ||
| 63 | Y | 79.6 | Confident | 82.2 | Confident | 203 Ų | 203 | 114.1 Ų | 114.1 | 80% | 0.796 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 143.9 | 166.4 | -55.7 | -74.6 | 0 | 0 | 0 | 108.8 | Q61 D65 | Q61-Y63 HydrophobicContact CB-CE1 4.42Å; Q61-Y63 HydrophobicContact CB-CE2 4.25Å; Q61-Y63 WeakPolarHBondContact O-CD2 3.2Å; Q61-Y63 PolarHBondContact O-N 2.8Å; Q61-Y63 VanDerWaalsContact O-N 3.12Å; Y63-D65 PolarHBondContact O-N 3.29Å |
| 64 | F | 83.6 | Confident | 81.8 | Confident | 118 Ų | 118 | 112.6 Ų | 112.6 | 52% | 0.518 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -70.1 | 120.3 | 175.5 | -165.8 | -112 | 0 | 0 | 0 | 108.5 | D68 Y69 A72 | F64-D68 HydrophobicContact CD1-CB 4.19Å; F64-D68 HydrophobicContact CD2-CB 3.53Å; F64-D68 HydrophobicContact CE1-CB 3.93Å; F64-D68 HydrophobicContact CE2-CB 3.2Å; F64-D68 HydrophobicContact CG-CB 4.05Å; F64-D68 HydrophobicContact CZ-CB 3.45Å; F64-D68 VanDerWaalsContact CZ-CB 3.45Å; F64-D68 WeakPolarHBondContact CZ-O 3.4Å; F64-Y69 AromaticContact CE1-CD2 3.88Å; F64-Y69 HydrophobicContact CE1-CD2 3.88Å; F64-Y69 HydrophobicContact CE1-CG 4.22Å; F64-Y69 HydrophobicContact CZ-CD2 4.37Å; F64-A72 HydrophobicContact CZ-CB 4.45Å |
| 65 | D | 84.1 | Confident | 81.1 | Confident | 105 Ų | 105 | 117 Ų | 117 | 56% | 0.561 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 141.6 | 170.2 | -171.6 | -0.7 | 0 | 0 | 0 | 107.8 | Y63 G67 D68 | Y63-D65 PolarHBondContact O-N 3.29Å; D65-G67 PolarHBondContact O-N 3.32Å; D65-D68 WeakPolarHBondContact O-CB 3.47Å; D65-D68 PolarHBondContact O-N 2.82Å |
| 66 | S | 83.9 | Confident | 80.1 | Confident | 108 Ų | 108 | 115.7 Ų | 115.7 | 76% | 0.755 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50 | -26.6 | 175.5 | 61.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 67 | G | 90.1 | Very high | 79.4 | Confident | 36 Ų | 36 | 116.3 Ų | 116.3 | 37% | 0.371 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.3 | -22.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | D65 Y69 | D65-G67 PolarHBondContact O-N 3.32Å; G67-Y69 PolarHBondContact O-N 3.14Å |
| 68 | D | 88.4 | Confident | 78.4 | Confident | 63 Ų | 63 | 117.8 Ų | 117.8 | 34% | 0.337 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.7 | -22.1 | -179.6 | -77.5 | -25.7 | 0 | 0 | 0 | 111.9 | F64 D65 N70 M71 A72 | F64-D68 HydrophobicContact CD1-CB 4.19Å; F64-D68 HydrophobicContact CD2-CB 3.53Å; F64-D68 HydrophobicContact CE1-CB 3.93Å; F64-D68 HydrophobicContact CE2-CB 3.2Å; F64-D68 HydrophobicContact CG-CB 4.05Å; F64-D68 HydrophobicContact CZ-CB 3.45Å; F64-D68 VanDerWaalsContact CZ-CB 3.45Å; F64-D68 WeakPolarHBondContact CZ-O 3.4Å; D65-D68 WeakPolarHBondContact O-CB 3.47Å; D65-D68 PolarHBondContact O-N 2.82Å; D68-N70 VanDerWaalsContact C-N 3.34Å; D68-N70 PolarHBondContact O-N 2.94Å; D68-M71 PolarHBondContact O-N 3.26Å; D68-M71 WeakPolarHBondContact OD1-CE 3.21Å; D68-A72 WeakPolarHBondContact O-CB 3.42Å; D68-A72 PolarHBondContact O-N 2.86Å |
| 69 | Y | 88.6 | Confident | 77.2 | Confident | 131 Ų | 131 | 116.3 Ų | 116.3 | 51% | 0.514 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -57.9 | -48.6 | -178.7 | -162.2 | -103.3 | 0 | 0 | 0 | 111.4 | F64 G67 A72 K73 | F64-Y69 AromaticContact CE1-CD2 3.88Å; F64-Y69 HydrophobicContact CE1-CD2 3.88Å; F64-Y69 HydrophobicContact CE1-CG 4.22Å; F64-Y69 HydrophobicContact CZ-CD2 4.37Å; G67-Y69 PolarHBondContact O-N 3.14Å; Y69-A72 PolarHBondContact O-N 3.09Å; Y69-K73 HydrophobicContact CD1-CG 4.26Å; Y69-K73 HydrophobicContact CE1-CG 4.03Å; Y69-K73 WeakPolarHBondContact O-CB 2.92Å; Y69-K73 VanDerWaalsContact O-CG 3.31Å; Y69-K73 WeakPolarHBondContact O-CG 3.04Å; Y69-K73 PolarHBondContact O-N 3.09Å; Y69-K73 WeakPolarHBondContact OH-CE 3.08Å |
| 70 | N | 87.3 | Confident | 76.4 | Confident | 118 Ų | 118 | 118.9 Ų | 118.9 | 63% | 0.631 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.6 | -38.1 | -175.9 | -70.6 | -13.5 | 0 | 0 | 0 | 111.1 | D68 A74 | D68-N70 VanDerWaalsContact C-N 3.34Å; D68-N70 PolarHBondContact O-N 2.94Å; N70-A74 WeakPolarHBondContact O-CB 3.31Å; N70-A74 PolarHBondContact O-N 2.9Å |
| 71 | M | 84.8 | Confident | 75.3 | Confident | 94 Ų | 94 | 121.9 Ų | 121.9 | 46% | 0.463 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.6 | -39.9 | 175.6 | -70.5 | -169.8 | -71.6 | 0 | 0 | 112.6 | D68 A74 K75 | D68-M71 PolarHBondContact O-N 3.26Å; D68-M71 WeakPolarHBondContact OD1-CE 3.21Å; M71-A74 PolarHBondContact O-N 3.1Å; M71-K75 WeakPolarHBondContact O-CB 3.48Å; M71-K75 VanDerWaalsContact O-CG 3.26Å; M71-K75 WeakPolarHBondContact O-CG 3.46Å; M71-K75 PolarHBondContact O-N 2.98Å |
| 72 | A | 76.1 | Confident | 74.3 | Confident | 48 Ų | 48 | 119.8 Ų | 119.8 | 40% | 0.397 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.9 | -43 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F64 D68 Y69 | F64-A72 HydrophobicContact CZ-CB 4.45Å; D68-A72 WeakPolarHBondContact O-CB 3.42Å; D68-A72 PolarHBondContact O-N 2.86Å; Y69-A72 PolarHBondContact O-N 3.09Å |
| 73 | K | 76.7 | Confident | 72.9 | Confident | 123 Ų | 123 | 117.1 Ų | 117.1 | 54% | 0.535 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -70.1 | -31.9 | 176.4 | -68.1 | -69.5 | -175.6 | 176.8 | 0 | 113 | Y69 V76 | Y69-K73 HydrophobicContact CD1-CG 4.26Å; Y69-K73 HydrophobicContact CE1-CG 4.03Å; Y69-K73 WeakPolarHBondContact O-CB 2.92Å; Y69-K73 VanDerWaalsContact O-CG 3.31Å; Y69-K73 WeakPolarHBondContact O-CG 3.04Å; Y69-K73 PolarHBondContact O-N 3.09Å; Y69-K73 WeakPolarHBondContact OH-CE 3.08Å; K73-V76 WeakPolarHBondContact O-CG2 3.49Å |
| 74 | A | 73.7 | Confident | 71.7 | Confident | 51 Ų | 51 | 112 Ų | 112 | 42% | 0.421 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -78.3 | -36.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N70 M71 V76 K77 N78 | N70-A74 WeakPolarHBondContact O-CB 3.31Å; N70-A74 PolarHBondContact O-N 2.9Å; M71-A74 PolarHBondContact O-N 3.1Å; A74-V76 PolarHBondContact O-N 2.84Å; A74-K77 PolarHBondContact O-N 2.84Å; A74-N78 PolarHBondContact O-N 3.15Å; A74-N78 VanDerWaalsContact O-N 3.14Å |
| 75 | K | 69 | Low | 70.4 | Confident | 140 Ų | 140 | 108.9 Ų | 108.9 | 61% | 0.609 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.9 | -26.8 | 178.6 | -86.8 | 170.6 | 178.2 | 168.6 | 0 | 113.2 | M71 K77 K79 | M71-K75 WeakPolarHBondContact O-CB 3.48Å; M71-K75 VanDerWaalsContact O-CG 3.26Å; M71-K75 WeakPolarHBondContact O-CG 3.46Å; M71-K75 PolarHBondContact O-N 2.98Å; K75-K77 VanDerWaalsContact C-N 3.34Å; K75-K79 WeakPolarHBondContact O-CG 3.35Å |
| 76 | V | 62.3 | Low | 68.9 | Low | 105 Ų | 105 | 109.8 Ų | 109.8 | 64% | 0.636 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -23.5 | 172.3 | -64.7 | 0 | 0 | 0 | 0 | 112.9 | K73 A74 | K73-V76 WeakPolarHBondContact O-CG2 3.49Å; A74-V76 PolarHBondContact O-N 2.84Å |
| 77 | K | 67 | Low | 67.2 | Low | 188 Ų | 188 | 112.6 Ų | 112.6 | 82% | 0.817 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -26.9 | -178 | -132.8 | 179.1 | -177.3 | -176.6 | 0 | 113 | A74 K75 | A74-K77 PolarHBondContact O-N 2.84Å; K75-K77 VanDerWaalsContact C-N 3.34Å |
| 78 | N | 61.6 | Low | 65.7 | Low | 144 Ų | 144 | 120.4 Ų | 120.4 | 77% | 0.77 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 37.8 | 175.7 | -71.5 | -20.5 | 0 | 0 | 0 | 112.5 | A74 Q80 | A74-N78 PolarHBondContact O-N 3.15Å; A74-N78 VanDerWaalsContact O-N 3.14Å; N78-Q80 PolarHBondContact O-N 3.06Å |
| 79 | K | 57.1 | Low | 64.2 | Low | 127 Ų | 127 | 123.6 Ų | 123.6 | 55% | 0.552 | 66% | 0.661 | S | S | * | * | trans | -87.9 | 89.5 | 160.7 | -65 | -150.2 | -177.8 | -178.1 | 0 | 108.6 | K75 L81 | K75-K79 WeakPolarHBondContact O-CG 3.35Å; K79-L81 HydrophobicContact CB-CB 4.37Å; K79-L81 HydrophobicContact CB-CD1 3.78Å; K79-L81 HydrophobicContact CB-CG 3.82Å; K79-L81 HydrophobicContact CD-CD1 3.28Å; K79-L81 HydrophobicContact CD-CD2 4.3Å; K79-L81 HydrophobicContact CD-CG 3.62Å; K79-L81 HydrophobicContact CG-CD1 4.13Å; K79-L81 HydrophobicContact CG-CG 4.27Å; K79-L81 PolarHBondContact O-N 3.29Å | ||
| 80 | Q | 57.7 | Low | 62.8 | Low | 202 Ų | 202 | 124.1 Ų | 124.1 | 94% | 0.944 | 67% | 0.672 | S | S | * | * | trans | -68.8 | 74.9 | 133.9 | -76.5 | -177.4 | 58.8 | 0 | 0 | 106.1 | N78 | N78-Q80 PolarHBondContact O-N 3.06Š| ||
| 81 | L | 52.8 | Low | 61.5 | Low | 106 Ų | 106 | 122.7 Ų | 122.7 | 56% | 0.555 | 67% | 0.668 | S | S | * | * | trans | -62.2 | 144.9 | 151 | -83 | 152.1 | 0 | 0 | 0 | 105.7 | K79 V83 | K79-L81 HydrophobicContact CB-CB 4.37Å; K79-L81 HydrophobicContact CB-CD1 3.78Å; K79-L81 HydrophobicContact CB-CG 3.82Å; K79-L81 HydrophobicContact CD-CD1 3.28Å; K79-L81 HydrophobicContact CD-CD2 4.3Å; K79-L81 HydrophobicContact CD-CG 3.62Å; K79-L81 HydrophobicContact CG-CD1 4.13Å; K79-L81 HydrophobicContact CG-CG 4.27Å; K79-L81 PolarHBondContact O-N 3.29Å; L81-V83 PolarHBondContact O-N 3.42Å | ||
| 82 | P | 55.3 | Low | 60.1 | Low | 117 Ų | 117 | 124 Ų | 124 | 76% | 0.76 | 68% | 0.681 | S | S | * | * | trans | -51.8 | 120.2 | 152.2 | 24.9 | -30.7 | 0 | 0 | 0 | 106.4 | A84 | P82-A84 VanDerWaalsContact C-N 3.32Å; P82-A84 PolarHBondContact O-N 2.88Å | ||
| 83 | V | 52.2 | Low | 59.5 | Low | 132 Ų | 132 | 125.5 Ų | 125.5 | 80% | 0.8 | 70% | 0.701 | S | S | * | * | trans | -56.8 | 101.2 | 171.2 | 172.7 | 0 | 0 | 0 | 0 | 106.1 | L81 G85 | L81-V83 PolarHBondContact O-N 3.42Å; V83-G85 PolarHBondContact O-N 3.06Å | ||
| 84 | A | 54.2 | Low | 59 | Low | 95 Ų | 95 | 127.2 Ų | 127.2 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | trans | -62.7 | 118.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 104.8 | P82 | P82-A84 VanDerWaalsContact C-N 3.32Å; P82-A84 PolarHBondContact O-N 2.88Å | ||
| 85 | G | 54.6 | Low | 59.1 | Low | 53 Ų | 53 | 130.2 Ų | 130.2 | 55% | 0.546 | 72% | 0.721 | S | S | . | * | trans | -55.5 | 172.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V83 E87 | V83-G85 PolarHBondContact O-N 3.06Å; G85-E87 PolarHBondContact O-N 2.93Å | ||
| 86 | P | 52.6 | Low | 59.4 | Low | 124 Ų | 124 | 130.6 Ų | 130.6 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -55.5 | 114.4 | -172.5 | 23.6 | -33.8 | 0 | 0 | 0 | 111.2 | K88 | P86-K88 PolarHBondContact O-N 3.42Š|
| 87 | E | 49.9 | Very low | 59.9 | Low | 167 Ų | 167 | 129.4 Ų | 129.4 | 78% | 0.78 | 72% | 0.723 | S | S | * | * | trans | 25.9 | 93.1 | 138.6 | -49.2 | -143.8 | -178.4 | 0 | 0 | 115.4 | G85 | G85-E87 PolarHBondContact O-N 2.93Š| ||
| 88 | K | 58.9 | Low | 60.4 | Low | 200 Ų | 200 | 123.4 Ų | 123.4 | 87% | 0.87 | 70% | 0.702 | S | S | * | * | trans | -94.6 | 87.3 | 150.4 | -44.6 | -161.9 | -168.8 | -166.4 | 0 | 106.1 | P86 | P86-K88 PolarHBondContact O-N 3.42Š| ||
| 89 | N | 55.8 | Low | 60.9 | Low | 131 Ų | 131 | 122 Ų | 122 | 70% | 0.701 | 70% | 0.701 | S | S | * | * | trans | 22.2 | 100.5 | 161.6 | -61.6 | -64.9 | 0 | 0 | 0 | 116 | V91 | N89-V91 PolarHBondContact O-N 3.33Š| ||
| 90 | L | 59.4 | Low | 61.7 | Low | 142 Ų | 142 | 123.5 Ų | 123.5 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | 20.9 | 80.9 | 128.7 | -66 | 160.3 | 0 | 0 | 0 | 115 | T92 | L90-T92 VanDerWaalsContact C-N 3.26Š| |||
| 91 | V | 59.6 | Low | 62.5 | Low | 88 Ų | 88 | 118.8 Ų | 118.8 | 53% | 0.533 | 69% | 0.691 | S | S | . | * | trans | -95.9 | 70.5 | 149.1 | 172.9 | 0 | 0 | 0 | 0 | 106 | N89 G93 H95 | N89-V91 PolarHBondContact O-N 3.33Å; V91-G93 PolarHBondContact O-N 3.2Å; V91-H95 HydrophobicContact CB-CB 4.43Å; V91-H95 HydrophobicContact CG1-CB 3.48Å; V91-H95 VanDerWaalsContact CG1-CB 3.48Å; V91-H95 VanDerWaalsContact CG1-O 3.31Å; V91-H95 WeakPolarHBondContact CG1-O 3.39Å; V91-H95 HydrophobicContact CG2-CB 4Å | ||
| 92 | T | 55 | Low | 63.4 | Low | 120 Ų | 120 | 118.6 Ų | 118.6 | 74% | 0.736 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -73.2 | 91.7 | 163.7 | -56.6 | 0 | 0 | 0 | 0 | 106.1 | L90 D94 | L90-T92 VanDerWaalsContact C-N 3.26Å; T92-D94 PolarHBondContact O-N 3.11Å; T92-D94 VanDerWaalsContact O-N 3.16Å |
| 93 | G | 64.8 | Low | 64.5 | Low | 80 Ų | 80 | 117.7 Ų | 117.7 | 83% | 0.825 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 79.2 | -8.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | V91 | V91-G93 PolarHBondContact O-N 3.2Š|
| 94 | D | 66 | Low | 65.4 | Low | 159 Ų | 159 | 122.5 Ų | 122.5 | 85% | 0.85 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -103.4 | -9.9 | -170.7 | -147.9 | 28.3 | 0 | 0 | 0 | 115.6 | T92 | T92-D94 PolarHBondContact O-N 3.11Å; T92-D94 VanDerWaalsContact O-N 3.16Å |
| 95 | H | 76.5 | Confident | 65.8 | Low | 114 Ų | 114 | 123.4 Ų | 123.4 | 53% | 0.528 | 68% | 0.684 | S | S | . | * | S | Bend | trans | -126.6 | 101.7 | 176.8 | -170 | 71.1 | 0 | 0 | 0 | 109.6 | V91 P97 | V91-H95 HydrophobicContact CB-CB 4.43Å; V91-H95 HydrophobicContact CG1-CB 3.48Å; V91-H95 VanDerWaalsContact CG1-CB 3.48Å; V91-H95 VanDerWaalsContact CG1-O 3.31Å; V91-H95 WeakPolarHBondContact CG1-O 3.39Å; V91-H95 HydrophobicContact CG2-CB 4Å; H95-P97 WeakPolarHBondContact O-CD 3.33Å |
| 96 | I | 74.4 | Confident | 66.4 | Low | 148 Ų | 148 | 132.3 Ų | 132.3 | 76% | 0.759 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 119.1 | 174.5 | -58.1 | 179.9 | 0 | 0 | 0 | 107.1 | T98 | I96-T98 PolarHBondContact O-N 2.94Å; I96-T98 VanDerWaalsContact O-N 3.13Å |
| 97 | P | 72.9 | Confident | 67.4 | Low | 81 Ų | 81 | 136 Ų | 136 | 53% | 0.526 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 122.4 | 178.8 | 21.7 | -30.6 | 0 | 0 | 0 | 109.1 | H95 | H95-P97 WeakPolarHBondContact O-CD 3.33Š|
| 98 | T | 77.4 | Confident | 68.3 | Low | 62 Ų | 62 | 133.5 Ų | 133.5 | 38% | 0.38 | 71% | 0.705 | S | S | . | * | P | Polyproline II helix | trans | -73.5 | 158.3 | -178.9 | 68.1 | 0 | 0 | 0 | 0 | 109.5 | I96 Q100 D101 | I96-T98 PolarHBondContact O-N 2.94Å; I96-T98 VanDerWaalsContact O-N 3.13Å; T98-Q100 PolarHBondContact O-N 3.31Å; T98-D101 PolarHBondContact N-OD2 3.39Å; T98-D101 VanDerWaalsContact N-OD2 3.13Å; T98-D101 PolarHBondContact O-N 2.84Å; T98-D101 PolarHBondContact OG1-OD2 3.16Å |
| 99 | P | 71.3 | Confident | 68.8 | Low | 113 Ų | 113 | 128.9 Ų | 128.9 | 73% | 0.734 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -17 | 179.6 | -23.3 | 32.5 | 0 | 0 | 0 | 114.5 | ||
| 100 | Q | 75.1 | Confident | 69.4 | Low | 160 Ų | 160 | 130 Ų | 130 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -27.6 | 178.8 | -129.1 | 71.7 | -5 | 0 | 0 | 113.3 | T98 L102 | T98-Q100 PolarHBondContact O-N 3.31Å; Q100-L102 VanDerWaalsContact C-N 3.28Å |
| 101 | D | 73.3 | Confident | 69.8 | Low | 103 Ų | 103 | 129.1 Ų | 129.1 | 55% | 0.551 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -11.1 | -177.9 | -58.5 | -47.8 | 0 | 0 | 0 | 112.5 | T98 | T98-D101 PolarHBondContact N-OD2 3.39Å; T98-D101 VanDerWaalsContact N-OD2 3.13Å; T98-D101 PolarHBondContact O-N 2.84Å; T98-D101 PolarHBondContact OG1-OD2 3.16Å |
| 102 | L | 72.3 | Confident | 70.2 | Confident | 102 Ų | 102 | 130 Ų | 130 | 53% | 0.534 | 71% | 0.709 | S | S | . | * | S | Bend | trans | -87.8 | 139.3 | 176.3 | -72.3 | 155.5 | 0 | 0 | 0 | 109.5 | Q100 R104 | Q100-L102 VanDerWaalsContact C-N 3.28Å; L102-R104 PolarHBondContact O-N 3.34Å |
| 103 | P | 77.9 | Confident | 71 | Confident | 98 Ų | 98 | 128.9 Ų | 128.9 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | trans | -55.3 | 120 | 169.9 | 23.8 | -31.6 | 0 | 0 | 0 | 107.8 | T105 | P103-T105 HydrophobicContact CB-CG2 3.83Å; P103-T105 PolarHBondContact O-N 3.21Å; P103-T105 PolarHBondContact O-OG1 2.97Å | ||
| 104 | R | 71.1 | Confident | 71.3 | Confident | 233 Ų | 233 | 134.8 Ų | 134.8 | 88% | 0.879 | 71% | 0.709 | S | S | * | * | trans | -66.2 | 24 | -177.5 | -162.7 | 177.1 | 177 | 159 | 0.5 | 112.9 | L102 R106 | L102-R104 PolarHBondContact O-N 3.34Å; R104-R106 PolarHBondContact O-N 3.12Å | ||
| 105 | T | 62.9 | Low | 71.3 | Confident | 113 Ų | 113 | 134.7 Ų | 134.7 | 69% | 0.693 | 71% | 0.708 | S | S | * | * | trans | -78.8 | 27.5 | -160.4 | 50.3 | 0 | 0 | 0 | 0 | 114 | P103 | P103-T105 HydrophobicContact CB-CG2 3.83Å; P103-T105 PolarHBondContact O-N 3.21Å; P103-T105 PolarHBondContact O-OG1 2.97Å | ||
| 106 | R | 67.3 | Low | 70.2 | Confident | 240 Ų | 240 | 134.7 Ų | 134.7 | 91% | 0.906 | 73% | 0.727 | S | S | * | * | trans | -95.6 | 92.4 | 154.5 | -74.9 | -155.1 | -85.5 | 175.9 | -7.4 | 108.7 | R104 S108 | R104-R106 PolarHBondContact O-N 3.12Å; R106-S108 PolarHBondContact O-N 2.91Å | ||
| 107 | K | 73.2 | Confident | 68.9 | Low | 202 Ų | 202 | 135 Ų | 135 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | trans | -62.4 | 120 | 165 | -61.3 | -163.7 | -83.9 | -169.3 | 0 | 107.1 | S109 | K107-S109 PolarHBondContact O-N 3.27Å; K107-S109 VanDerWaalsContact O-N 3.12Å | ||
| 108 | S | 68.7 | Low | 68.7 | Low | 115 Ų | 115 | 137.7 Ų | 137.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -61.3 | 115.2 | 171.5 | 45.1 | 0 | 0 | 0 | 0 | 107.8 | R106 L110 | R106-S108 PolarHBondContact O-N 2.91Å; S108-L110 PolarHBondContact O-N 2.95Å | ||
| 109 | S | 69.3 | Low | 68.2 | Low | 102 Ų | 102 | 141.6 Ų | 141.6 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | -72.3 | 101.3 | 173.7 | 60.7 | 0 | 0 | 0 | 0 | 108 | K107 V111 | K107-S109 PolarHBondContact O-N 3.27Å; K107-S109 VanDerWaalsContact O-N 3.12Å; S109-V111 VanDerWaalsContact C-N 3.27Å; S109-V111 PolarHBondContact O-N 2.97Å | ||
| 110 | L | 70.3 | Confident | 68.1 | Low | 156 Ų | 156 | 143.2 Ų | 143.2 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | trans | -71.2 | 89.5 | 164.7 | -158 | 98.7 | 0 | 0 | 0 | 107.4 | S108 T112 | S108-L110 PolarHBondContact O-N 2.95Å; L110-T112 HydrophobicContact CD2-CG2 4.11Å; L110-T112 PolarHBondContact O-N 2.91Å | ||
| 111 | V | 67.7 | Low | 67.6 | Low | 123 Ų | 123 | 142.2 Ų | 142.2 | 75% | 0.745 | 81% | 0.807 | S | S | * | * | trans | -74.5 | 106.1 | 170.5 | 179 | 0 | 0 | 0 | 0 | 106.6 | S109 S113 | S109-V111 VanDerWaalsContact C-N 3.27Å; S109-V111 PolarHBondContact O-N 2.97Å; V111-S113 PolarHBondContact O-N 3.15Å | ||
| 112 | T | 67.3 | Low | 67.3 | Low | 106 Ų | 106 | 144.7 Ų | 144.7 | 65% | 0.65 | 82% | 0.823 | S | S | * | * | trans | -75.5 | 117.8 | 168 | 52 | 0 | 0 | 0 | 0 | 107.5 | L110 K114 | L110-T112 HydrophobicContact CD2-CG2 4.11Å; L110-T112 PolarHBondContact O-N 2.91Å; T112-K114 PolarHBondContact O-N 3.27Å | ||
| 113 | S | 71.7 | Confident | 67 | Low | 96 Ų | 96 | 147.5 Ų | 147.5 | 67% | 0.671 | 84% | 0.842 | S | S | * | * | trans | -67.4 | 130.4 | 170.2 | 50.1 | 0 | 0 | 0 | 0 | 108.6 | V111 L115 | V111-S113 PolarHBondContact O-N 3.15Å; S113-L115 PolarHBondContact O-N 3.33Å | ||
| 114 | K | 70.7 | Confident | 66.2 | Low | 205 Ų | 205 | 151.1 Ų | 151.1 | 89% | 0.891 | 86% | 0.857 | S | S | * | * | trans | -92.9 | 87 | 160.7 | -68.1 | -175 | 175.3 | -179.1 | 0 | 107.3 | T112 | T112-K114 PolarHBondContact O-N 3.27Š| ||
| 115 | L | 66.2 | Low | 65.8 | Low | 157 Ų | 157 | 144.8 Ų | 144.8 | 82% | 0.822 | 86% | 0.855 | S | S | * | * | trans | -99.6 | 137.7 | 157.2 | -76.7 | 170.4 | 0 | 0 | 0 | 107.3 | S113 | S113-L115 PolarHBondContact O-N 3.33Š| ||
| 116 | A | 54.3 | Low | 66 | Low | 113 Ų | 113 | 147.4 Ų | 147.4 | 93% | 0.934 | 87% | 0.868 | S | S | * | * | trans | 87.1 | 122.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 117 | G | 45.9 | Very low | 65.9 | Low | 154 Ų | 154 | 139 Ų | 139 | 100% | 1.588 | 87% | 0.865 | S | S | * | * | trans | 155.2 | 0 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 117 of 117 residues in 69 ms
(Link to these results)