| 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 | 45.4 | Very low | 47.2 | Very low | 244 Ų | 244 | 144.5 Ų | 144.5 | 100% | 1.202 | 82% | 0.817 | S | S | * | * | 0 | 96.5 | 0 | -70.8 | 165.2 | 82.4 | 0 | 0 | 106.7 | |||||
| 2 | S | 47 | Very low | 46.7 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | trans | -75 | 124.4 | 175.2 | -48.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 3 | S | 53.6 | Low | 46.4 | Very low | 112 Ų | 112 | 150.2 Ų | 150.2 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -110.6 | 102.7 | 161.3 | 37.1 | 0 | 0 | 0 | 0 | 106.7 | N5 | S3-N5 PolarHBondContact O-N 3.48Š| ||
| 4 | E | 51.8 | Low | 45.9 | Very low | 168 Ų | 168 | 150.7 Ų | 150.7 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -62.1 | 116.8 | 168.6 | -63.4 | 172.9 | 166.9 | 0 | 0 | 107.6 | L6 | E4-L6 PolarHBondContact O-N 3.41Š| ||
| 5 | N | 49 | Very low | 45.8 | Very low | 163 Ų | 163 | 148.1 Ų | 148.1 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -82.7 | 113.7 | 162.5 | -85.2 | -35.7 | 0 | 0 | 0 | 107.6 | S3 | S3-N5 PolarHBondContact O-N 3.48Š| ||
| 6 | L | 47.3 | Very low | 45.8 | Very low | 149 Ų | 149 | 150.4 Ų | 150.4 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | trans | -56.3 | 137.3 | 178 | -126.7 | 62.7 | 0 | 0 | 0 | 110.6 | E4 D8 | E4-L6 PolarHBondContact O-N 3.41Å; L6-D8 PolarHBondContact O-N 2.98Å | ||
| 7 | S | 41.2 | Very low | 45.7 | Very low | 99 Ų | 99 | 152.2 Ų | 152.2 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | -38.8 | 116.2 | 170.8 | 50.1 | 0 | 0 | 0 | 0 | 114.8 | T9 | S7-T9 PolarHBondContact O-N 3.4Š| ||
| 8 | D | 46.1 | Very low | 45.6 | Very low | 163 Ų | 163 | 151.7 Ų | 151.7 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -71 | 100.1 | 155 | -81.4 | -39.1 | 0 | 0 | 0 | 108.3 | L6 | L6-D8 PolarHBondContact O-N 2.98Š| ||
| 9 | T | 53.2 | Low | 45.5 | Very low | 113 Ų | 113 | 149.3 Ų | 149.3 | 69% | 0.693 | 78% | 0.777 | S | S | * | * | trans | -67.2 | 126.9 | 163.3 | 15 | 0 | 0 | 0 | 0 | 108.9 | S7 M11 | S7-T9 PolarHBondContact O-N 3.4Å; T9-M11 PolarHBondContact O-N 3.35Å; T9-M11 VanDerWaalsContact O-N 3.11Å | ||
| 10 | P | 42.3 | Very low | 45.9 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | -71.7 | 107.7 | 165.6 | 29 | -28.4 | 0 | 0 | 0 | 107.3 | E12 | P10-E12 VanDerWaalsContact C-N 3.33Å; P10-E12 PolarHBondContact O-N 3.15Å | ||
| 11 | M | 42.6 | Very low | 46.1 | Very low | 137 Ų | 137 | 145.5 Ų | 145.5 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | -66.9 | 98.4 | 164.5 | -85.3 | -110.3 | -91.7 | 0 | 0 | 107.8 | T9 Y13 | T9-M11 PolarHBondContact O-N 3.35Å; T9-M11 VanDerWaalsContact O-N 3.11Å; M11-Y13 HydrophobicContact CB-CD2 4.3Å; M11-Y13 HydrophobicContact CB-CE2 4.1Å; M11-Y13 HydrophobicContact CE-CE2 3.86Å; M11-Y13 WeakPolarHBondContact CE-OH 3.48Å; M11-Y13 PolarHBondContact O-N 3.28Å; M11-Y13 VanDerWaalsContact O-N 3.13Å; M11-Y13 HydrophobicContact SD-CE2 4.34Å | ||
| 12 | E | 40.5 | Very low | 46.4 | Very low | 170 Ų | 170 | 140.5 Ų | 140.5 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | trans | -50.6 | 110.6 | 158.3 | -82.6 | -178 | 148.3 | 0 | 0 | 108.9 | P10 | P10-E12 VanDerWaalsContact C-N 3.33Å; P10-E12 PolarHBondContact O-N 3.15Å | ||
| 13 | Y | 42.8 | Very low | 46.7 | Very low | 193 Ų | 193 | 141.1 Ų | 141.1 | 76% | 0.757 | 72% | 0.72 | S | S | * | * | trans | -111.8 | 64.8 | 153.6 | -76.2 | -81.5 | 0 | 0 | 0 | 107.1 | M11 | M11-Y13 HydrophobicContact CB-CD2 4.3Å; M11-Y13 HydrophobicContact CB-CE2 4.1Å; M11-Y13 HydrophobicContact CE-CE2 3.86Å; M11-Y13 WeakPolarHBondContact CE-OH 3.48Å; M11-Y13 PolarHBondContact O-N 3.28Å; M11-Y13 VanDerWaalsContact O-N 3.13Å; M11-Y13 HydrophobicContact SD-CE2 4.34Å | ||
| 14 | E | 39.3 | Very low | 46.8 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 73% | 0.734 | 71% | 0.707 | S | S | * | * | trans | -94 | 123.3 | 165.9 | -74.3 | -64.4 | 160.9 | 0 | 0 | 108.7 | ||||
| 15 | D | 44.9 | Very low | 47.2 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 60% | 0.599 | 69% | 0.685 | S | S | * | * | trans | 78.1 | 66.6 | 136.4 | -129.1 | 3.9 | 0 | 0 | 0 | 120.8 | ||||
| 16 | E | 45.8 | Very low | 47.8 | Very low | 185 Ų | 185 | 131.7 Ų | 131.7 | 86% | 0.864 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -135 | 22.1 | 159 | -83 | -143 | 168.9 | 0 | 0 | 114.4 | ||
| 17 | K | 45 | Very low | 48.8 | Very low | 180 Ų | 180 | 129.8 Ų | 129.8 | 78% | 0.783 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -118.9 | -3 | -179 | -77.2 | -73.3 | -170.5 | -171.7 | 0 | 115.5 | ||
| 18 | Q | 43.1 | Very low | 50.1 | Low | 143 Ų | 143 | 128.6 Ų | 128.6 | 67% | 0.668 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -92.1 | -36.4 | 178.6 | -75.4 | -170.2 | -33.9 | 0 | 0 | 113.8 | S20 Q21 | Q18-S20 PolarHBondContact O-N 3.22Å; Q18-Q21 PolarHBondContact O-N 3.09Å |
| 19 | D | 44.7 | Very low | 51.4 | Low | 107 Ų | 107 | 127 Ų | 127 | 57% | 0.572 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -76.9 | -25.6 | -172.2 | -157.3 | 40.1 | 0 | 0 | 0 | 114.1 | K23 | D19-K23 IonicContact OD2-NZ 3.9Å |
| 20 | S | 52.7 | Low | 52.4 | Low | 74 Ų | 74 | 123.1 Ų | 123.1 | 52% | 0.517 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -70.9 | -32.2 | 170.6 | -76 | 0 | 0 | 0 | 0 | 111.9 | Q18 N24 | Q18-S20 PolarHBondContact O-N 3.22Å; S20-N24 VanDerWaalsContact O-CB 3.28Å; S20-N24 WeakPolarHBondContact O-CB 3.44Å; S20-N24 VanDerWaalsContact O-CG 3.3Å; S20-N24 PolarHBondContact O-N 3.11Å; S20-N24 PolarHBondContact O-ND2 3.4Å |
| 21 | Q | 50 | Low | 53.9 | Low | 144 Ų | 144 | 123.5 Ų | 123.5 | 67% | 0.673 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.8 | -35.9 | -175 | -167.9 | 170.5 | -19.4 | 0 | 0 | 111.7 | Q18 A25 | Q18-Q21 PolarHBondContact O-N 3.09Å; Q21-A25 WeakPolarHBondContact O-CB 3.43Å; Q21-A25 PolarHBondContact O-N 3.32Å |
| 22 | E | 51.6 | Low | 55.3 | Low | 139 Ų | 139 | 122.9 Ų | 122.9 | 65% | 0.65 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.9 | -40.5 | 175.4 | -74.9 | -164 | 158.6 | 0 | 0 | 113.5 | A25 N26 | E22-A25 PolarHBondContact O-N 2.9Å; E22-N26 PolarHBondContact O-N 3.45Å |
| 23 | K | 54.3 | Low | 57.1 | Low | 135 Ų | 135 | 119.6 Ų | 119.6 | 59% | 0.587 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.1 | -43.8 | 172.8 | -82 | 177.3 | -177.5 | 156.6 | 0 | 111.7 | D19 N26 L27 | D19-K23 IonicContact OD2-NZ 3.9Å; K23-N26 PolarHBondContact O-N 2.66Å; K23-L27 WeakPolarHBondContact O-CD1 3.37Å; K23-L27 PolarHBondContact O-N 2.7Å |
| 24 | N | 55.8 | Low | 59.1 | Low | 93 Ų | 93 | 117.2 Ų | 117.2 | 50% | 0.497 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.9 | -39.2 | 175.4 | -76.1 | -60.6 | 0 | 0 | 0 | 111.7 | S20 N26 L27 V28 | S20-N24 VanDerWaalsContact O-CB 3.28Å; S20-N24 WeakPolarHBondContact O-CB 3.44Å; S20-N24 VanDerWaalsContact O-CG 3.3Å; S20-N24 PolarHBondContact O-N 3.11Å; S20-N24 PolarHBondContact O-ND2 3.4Å; N24-N26 VanDerWaalsContact C-N 3.29Å; N24-N26 PolarHBondContact O-N 2.65Å; N24-L27 PolarHBondContact O-N 2.88Å; N24-V28 WeakPolarHBondContact O-CB 3.47Å; N24-V28 WeakPolarHBondContact O-CG2 3.27Å; N24-V28 PolarHBondContact O-N 2.99Å |
| 25 | A | 58.4 | Low | 61 | Low | 40 Ų | 40 | 113.9 Ų | 113.9 | 33% | 0.331 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.7 | -35.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q21 E22 K29 | Q21-A25 WeakPolarHBondContact O-CB 3.43Å; Q21-A25 PolarHBondContact O-N 3.32Å; E22-A25 PolarHBondContact O-N 2.9Å; A25-K29 WeakPolarHBondContact O-CB 3.33Å; A25-K29 WeakPolarHBondContact O-CD 3.44Å; A25-K29 WeakPolarHBondContact O-CG 3.33Å; A25-K29 PolarHBondContact O-N 2.98Å |
| 26 | N | 62.9 | Low | 62.7 | Low | 113 Ų | 113 | 113.7 Ų | 113.7 | 60% | 0.604 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.2 | -42.1 | 174 | -106.9 | -67.7 | 0 | 0 | 0 | 112.6 | E22 K23 N24 K29 G30 | E22-N26 PolarHBondContact O-N 3.45Å; K23-N26 PolarHBondContact O-N 2.66Å; N24-N26 VanDerWaalsContact C-N 3.29Å; N24-N26 PolarHBondContact O-N 2.65Å; N26-K29 PolarHBondContact O-N 3.25Å; N26-G30 PolarHBondContact O-N 3.42Å |
| 27 | L | 68.4 | Low | 64.4 | Low | 108 Ų | 108 | 108.7 Ų | 108.7 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62 | -46.6 | 174.2 | -97.1 | 75.9 | 0 | 0 | 0 | 111.7 | K23 N24 K29 G30 E31 | K23-L27 WeakPolarHBondContact O-CD1 3.37Å; K23-L27 PolarHBondContact O-N 2.7Å; N24-L27 PolarHBondContact O-N 2.88Å; L27-K29 PolarHBondContact O-N 2.98Å; L27-G30 PolarHBondContact O-N 3.39Å; L27-G30 VanDerWaalsContact O-N 3.12Å; L27-E31 PolarHBondContact O-N 2.63Å |
| 28 | V | 68.8 | Low | 66.4 | Low | 75 Ų | 75 | 107.5 Ų | 107.5 | 46% | 0.455 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.1 | -46.1 | 178.4 | 171 | 0 | 0 | 0 | 0 | 110.8 | N24 G30 E31 E32 | N24-V28 WeakPolarHBondContact O-CB 3.47Å; N24-V28 WeakPolarHBondContact O-CG2 3.27Å; N24-V28 PolarHBondContact O-N 2.99Å; V28-G30 VanDerWaalsContact C-N 3.32Å; V28-G30 PolarHBondContact O-N 3.24Å; V28-E31 PolarHBondContact O-N 2.81Å; V28-E32 WeakPolarHBondContact O-CG 3.35Å; V28-E32 PolarHBondContact O-N 3.28Å |
| 29 | K | 71.7 | Confident | 68.2 | Low | 129 Ų | 129 | 107.2 Ų | 107.2 | 56% | 0.561 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.5 | -40.8 | 175.3 | -72.8 | 169.8 | -174.1 | 177.8 | 0 | 112.1 | A25 N26 L27 E32 V33 | A25-K29 WeakPolarHBondContact O-CB 3.33Å; A25-K29 WeakPolarHBondContact O-CD 3.44Å; A25-K29 WeakPolarHBondContact O-CG 3.33Å; A25-K29 PolarHBondContact O-N 2.98Å; N26-K29 PolarHBondContact O-N 3.25Å; L27-K29 PolarHBondContact O-N 2.98Å; K29-E32 PolarHBondContact O-N 3.08Å; K29-V33 WeakPolarHBondContact O-CG2 3.27Å; K29-V33 PolarHBondContact O-N 2.94Å; K29-V33 VanDerWaalsContact O-N 3.12Å |
| 30 | G | 73.9 | Confident | 69.8 | Low | 32 Ų | 32 | 107.8 Ų | 107.8 | 33% | 0.33 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.9 | -37.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N26 L27 V28 K34 | N26-G30 PolarHBondContact O-N 3.42Å; L27-G30 PolarHBondContact O-N 3.39Å; L27-G30 VanDerWaalsContact O-N 3.12Å; V28-G30 VanDerWaalsContact C-N 3.32Å; V28-G30 PolarHBondContact O-N 3.24Å; G30-K34 WeakPolarHBondContact O-CG 3.38Å; G30-K34 PolarHBondContact O-N 2.97Å |
| 31 | E | 75.8 | Confident | 70.7 | Confident | 127 Ų | 127 | 106.1 Ų | 106.1 | 59% | 0.593 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.3 | -41.2 | 174.8 | -71.6 | -175.7 | 175 | 0 | 0 | 111.9 | L27 V28 V33 K34 L35 | L27-E31 PolarHBondContact O-N 2.63Å; V28-E31 PolarHBondContact O-N 2.81Å; E31-V33 VanDerWaalsContact C-N 3.31Å; E31-V33 PolarHBondContact O-N 3.03Å; E31-K34 PolarHBondContact O-N 3.13Å; E31-L35 WeakPolarHBondContact O-CB 3.35Å; E31-L35 PolarHBondContact O-N 2.9Å |
| 32 | E | 71.8 | Confident | 71.7 | Confident | 124 Ų | 124 | 103 Ų | 103 | 58% | 0.579 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.1 | -38.8 | 175.3 | -74.8 | -175.1 | 164.9 | 0 | 0 | 112.5 | V28 K29 L35 K36 | V28-E32 WeakPolarHBondContact O-CG 3.35Å; V28-E32 PolarHBondContact O-N 3.28Å; K29-E32 PolarHBondContact O-N 3.08Å; E32-L35 PolarHBondContact O-N 3.1Å; E32-K36 VanDerWaalsContact O-CB 3.27Å; E32-K36 WeakPolarHBondContact O-CB 3.34Å; E32-K36 PolarHBondContact O-N 2.92Å |
| 33 | V | 78.2 | Confident | 72.3 | Confident | 102 Ų | 102 | 99.2 Ų | 99.2 | 62% | 0.618 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.2 | -45.5 | 175.9 | 172 | 0 | 0 | 0 | 0 | 111.2 | K29 E31 L35 K36 A37 | K29-V33 WeakPolarHBondContact O-CG2 3.27Å; K29-V33 PolarHBondContact O-N 2.94Å; K29-V33 VanDerWaalsContact O-N 3.12Å; E31-V33 VanDerWaalsContact C-N 3.31Å; E31-V33 PolarHBondContact O-N 3.03Å; V33-L35 VanDerWaalsContact C-N 3.3Å; V33-L35 PolarHBondContact O-N 3.35Å; V33-K36 PolarHBondContact O-N 3.37Å; V33-A37 WeakPolarHBondContact O-CB 3.19Å; V33-A37 PolarHBondContact O-N 3.09Å |
| 34 | K | 83.7 | Confident | 73 | Confident | 142 Ų | 142 | 100.6 Ų | 100.6 | 62% | 0.617 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.9 | -39.2 | 175.9 | -69.3 | 171.2 | -175 | 173.1 | 0 | 111.2 | G30 E31 A37 K38 | G30-K34 WeakPolarHBondContact O-CG 3.38Å; G30-K34 PolarHBondContact O-N 2.97Å; E31-K34 PolarHBondContact O-N 3.13Å; K34-A37 PolarHBondContact O-N 2.81Å; K34-K38 WeakPolarHBondContact O-CB 3.27Å; K34-K38 VanDerWaalsContact O-CG 3.27Å; K34-K38 WeakPolarHBondContact O-CG 3.42Å; K34-K38 PolarHBondContact O-N 3.3Å |
| 35 | L | 79.7 | Confident | 73.5 | Confident | 88 Ų | 88 | 103 Ų | 103 | 46% | 0.461 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.8 | -42.8 | 177 | -151.8 | 85.9 | 0 | 0 | 0 | 111.1 | E31 E32 V33 K38 Y39 L42 | E31-L35 WeakPolarHBondContact O-CB 3.35Å; E31-L35 PolarHBondContact O-N 2.9Å; E32-L35 PolarHBondContact O-N 3.1Å; V33-L35 VanDerWaalsContact C-N 3.3Å; V33-L35 PolarHBondContact O-N 3.35Å; L35-K38 PolarHBondContact O-N 2.87Å; L35-Y39 HydrophobicContact CG-CD2 4.29Å; L35-Y39 WeakPolarHBondContact O-CD2 3.5Å; L35-Y39 PolarHBondContact O-N 3.5Å; L35-L42 HydrophobicContact CD2-CD2 3.42Å; L35-L42 VanDerWaalsContact CD2-CD2 3.42Å; L35-L42 HydrophobicContact CG-CD2 3.81Å |
| 36 | K | 80.3 | Confident | 73.7 | Confident | 107 Ų | 107 | 107.8 Ų | 107.8 | 47% | 0.465 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.9 | -38.1 | 176.9 | -174.7 | 64.8 | 175.2 | -124.5 | 0 | 112.5 | E32 V33 Y39 | E32-K36 VanDerWaalsContact O-CB 3.27Å; E32-K36 WeakPolarHBondContact O-CB 3.34Å; E32-K36 PolarHBondContact O-N 2.92Å; V33-K36 PolarHBondContact O-N 3.37Å; K36-Y39 CarbonylContact O-C 3.24Å; K36-Y39 VanDerWaalsContact O-C 3.24Å; K36-Y39 PolarHBondContact O-N 2.92Å |
| 37 | A | 81.1 | Confident | 74 | Confident | 81 Ų | 81 | 104.4 Ų | 104.4 | 67% | 0.669 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.5 | -38 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V33 K34 | V33-A37 WeakPolarHBondContact O-CB 3.19Å; V33-A37 PolarHBondContact O-N 3.09Å; K34-A37 PolarHBondContact O-N 2.81Å |
| 38 | K | 88.4 | Confident | 74.4 | Confident | 155 Ų | 155 | 101.6 Ų | 101.6 | 67% | 0.674 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.6 | -32.3 | 175.3 | -73.5 | 177.7 | -179.8 | -172.1 | 0 | 113 | K34 L35 | K34-K38 WeakPolarHBondContact O-CB 3.27Å; K34-K38 VanDerWaalsContact O-CG 3.27Å; K34-K38 WeakPolarHBondContact O-CG 3.42Å; K34-K38 PolarHBondContact O-N 3.3Å; L35-K38 PolarHBondContact O-N 2.87Å |
| 39 | Y | 81 | Confident | 74.7 | Confident | 136 Ų | 136 | 101.5 Ų | 101.5 | 53% | 0.533 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -128.4 | 78.4 | -175.4 | -56.6 | -70.9 | 0 | 0 | 0 | 111.2 | L35 K36 G41 L42 | L35-Y39 HydrophobicContact CG-CD2 4.29Å; L35-Y39 WeakPolarHBondContact O-CD2 3.5Å; L35-Y39 PolarHBondContact O-N 3.5Å; K36-Y39 CarbonylContact O-C 3.24Å; K36-Y39 VanDerWaalsContact O-C 3.24Å; K36-Y39 PolarHBondContact O-N 2.92Å; Y39-G41 PolarHBondContact O-N 2.84Å; Y39-L42 HydrophobicContact CD2-CD2 4.06Å; Y39-L42 HydrophobicContact CG-CD2 4.36Å; Y39-L42 WeakPolarHBondContact O-CB 3.44Å; Y39-L42 PolarHBondContact O-N 3.44Å; Y39-L42 VanDerWaalsContact O-N 3.08Å |
| 40 | P | 77.1 | Confident | 75.2 | Confident | 119 Ų | 119 | 101.1 Ų | 101.1 | 77% | 0.773 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 107.5 | 173.9 | 23.9 | -31 | 0 | 0 | 0 | 109.5 | ||
| 41 | G | 72.5 | Confident | 75.7 | Confident | 40 Ų | 40 | 106.5 Ų | 106.5 | 41% | 0.412 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 119 | -7.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y39 G43 Q44 | Y39-G41 PolarHBondContact O-N 2.84Å; G41-G43 PolarHBondContact O-N 3.22Å; G41-G43 VanDerWaalsContact O-N 3.09Å; G41-Q44 PolarHBondContact O-N 3.25Å |
| 42 | L | 70.3 | Confident | 76 | Confident | 78 Ų | 78 | 104.9 Ų | 104.9 | 41% | 0.408 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.4 | -26.5 | -175.5 | -168.6 | 60.9 | 0 | 0 | 0 | 114.6 | L35 Y39 | L35-L42 HydrophobicContact CD2-CD2 3.42Å; L35-L42 VanDerWaalsContact CD2-CD2 3.42Å; L35-L42 HydrophobicContact CG-CD2 3.81Å; Y39-L42 HydrophobicContact CD2-CD2 4.06Å; Y39-L42 HydrophobicContact CG-CD2 4.36Å; Y39-L42 WeakPolarHBondContact O-CB 3.44Å; Y39-L42 PolarHBondContact O-N 3.44Å; Y39-L42 VanDerWaalsContact O-N 3.08Å |
| 43 | G | 65.3 | Low | 76.7 | Confident | 59 Ų | 59 | 102.9 Ų | 102.9 | 61% | 0.608 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -5.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | G41 K45 | G41-G43 PolarHBondContact O-N 3.22Å; G41-G43 VanDerWaalsContact O-N 3.09Å; G43-K45 VanDerWaalsContact C-N 3.28Å; G43-K45 PolarHBondContact O-N 3.02Å |
| 44 | Q | 68.1 | Low | 77.1 | Confident | 164 Ų | 164 | 105 Ų | 105 | 77% | 0.766 | 58% | 0.58 | S | S | * | * | trans | -96.9 | 58.7 | 172.6 | -67 | -152.3 | -8.6 | 0 | 0 | 109.3 | G41 P46 | G41-Q44 PolarHBondContact O-N 3.25Å; Q44-P46 WeakPolarHBondContact O-CD 3.46Å | ||
| 45 | K | 65.8 | Low | 77 | Confident | 145 Ų | 145 | 106.7 Ų | 106.7 | 63% | 0.63 | 58% | 0.583 | S | S | * | * | trans | -78.7 | 117.8 | 163.6 | -68 | -166.8 | 176.3 | 180 | 0 | 106.8 | G43 G47 G48 | G43-K45 VanDerWaalsContact C-N 3.28Å; G43-K45 PolarHBondContact O-N 3.02Å; K45-G47 PolarHBondContact O-N 2.87Å; K45-G48 PolarHBondContact O-N 2.98Å | ||
| 46 | P | 62.5 | Low | 77.2 | Confident | 140 Ų | 140 | 107.2 Ų | 107.2 | 91% | 0.909 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | 108.7 | 167 | 23.6 | -29.9 | 0 | 0 | 0 | 107 | Q44 | Q44-P46 WeakPolarHBondContact O-CD 3.46Š|
| 47 | G | 69.4 | Low | 77.4 | Confident | 42 Ų | 42 | 109.7 Ų | 109.7 | 43% | 0.433 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 110.5 | -3.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | K45 D50 F51 | K45-G47 PolarHBondContact O-N 2.87Å; G47-D50 PolarHBondContact O-N 3.12Å; G47-F51 WeakPolarHBondContact O-CB 3.18Å; G47-F51 PolarHBondContact O-N 3.36Å |
| 48 | G | 76.9 | Confident | 77.3 | Confident | 48 Ų | 48 | 113.4 Ų | 113.4 | 50% | 0.495 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 33.3 | -142.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | K45 D50 | K45-G48 PolarHBondContact O-N 2.98Å; G48-D50 VanDerWaalsContact C-N 3.29Å |
| 49 | S | 76.3 | Confident | 76.8 | Confident | 74 Ų | 74 | 108 Ų | 108 | 52% | 0.517 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.3 | -15.9 | 164.7 | 52.6 | 0 | 0 | 0 | 0 | 111.8 | F51 L52 M53 | S49-F51 VanDerWaalsContact C-N 3.34Å; S49-F51 PolarHBondContact O-N 3.44Å; S49-L52 CarbonylContact O-C 3.57Å; S49-L52 WeakPolarHBondContact O-CA 3.46Å; S49-L52 WeakPolarHBondContact O-CB 3.44Å; S49-L52 PolarHBondContact O-N 2.93Å; S49-M53 VanDerWaalsContact O-CG 3.3Å; S49-M53 WeakPolarHBondContact O-CG 3.48Å; S49-M53 PolarHBondContact O-N 2.84Å |
| 50 | D | 81.4 | Confident | 76.7 | Confident | 120 Ų | 120 | 108.7 Ų | 108.7 | 64% | 0.642 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.1 | -39.4 | -177 | -68.5 | -29.5 | 0 | 0 | 0 | 113.2 | G47 G48 L52 M53 K54 | G47-D50 PolarHBondContact O-N 3.12Å; G48-D50 VanDerWaalsContact C-N 3.29Å; D50-L52 VanDerWaalsContact C-N 3.34Å; D50-M53 PolarHBondContact O-N 3.38Å; D50-K54 WeakPolarHBondContact O-CB 3.15Å; D50-K54 PolarHBondContact O-N 3.34Å |
| 51 | F | 84.6 | Confident | 76.7 | Confident | 145 Ų | 145 | 111.3 Ų | 111.3 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.4 | -43 | 174.9 | 179 | -98.7 | 0 | 0 | 0 | 111.5 | G47 S49 K54 R55 | G47-F51 WeakPolarHBondContact O-CB 3.18Å; G47-F51 PolarHBondContact O-N 3.36Å; S49-F51 VanDerWaalsContact C-N 3.34Å; S49-F51 PolarHBondContact O-N 3.44Å; F51-K54 PolarHBondContact O-N 2.99Å; F51-R55 WeakPolarHBondContact O-CB 3.24Å; F51-R55 PolarHBondContact O-N 3.48Å |
| 52 | L | 82.7 | Confident | 76.9 | Confident | 93 Ų | 93 | 119 Ų | 119 | 49% | 0.487 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.9 | -45.2 | 177.8 | -178 | 61.9 | 0 | 0 | 0 | 110.8 | S49 D50 K54 R55 L56 | S49-L52 CarbonylContact O-C 3.57Å; S49-L52 WeakPolarHBondContact O-CA 3.46Å; S49-L52 WeakPolarHBondContact O-CB 3.44Å; S49-L52 PolarHBondContact O-N 2.93Å; D50-L52 VanDerWaalsContact C-N 3.34Å; L52-K54 PolarHBondContact O-N 3.47Å; L52-R55 PolarHBondContact O-N 3Å; L52-R55 VanDerWaalsContact O-N 3.14Å; L52-L56 HydrophobicContact CD1-CD1 4.27Å; L52-L56 HydrophobicContact CD1-CG 4.29Å; L52-L56 HydrophobicContact CG-CD1 3.97Å; L52-L56 HydrophobicContact CG-CG 4.41Å; L52-L56 WeakPolarHBondContact O-CB 3.3Å; L52-L56 VanDerWaalsContact O-CG 3.3Å; L52-L56 WeakPolarHBondContact O-CG 3.3Å; L52-L56 PolarHBondContact O-N 3.14Å |
| 53 | M | 85.9 | Confident | 77.1 | Confident | 83 Ų | 83 | 120 Ų | 120 | 41% | 0.409 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -60.5 | -44.5 | 176.1 | -68.2 | -56.7 | 121.6 | 0 | 0 | 111.2 | S49 D50 R55 L56 Q57 | S49-M53 VanDerWaalsContact O-CG 3.3Å; S49-M53 WeakPolarHBondContact O-CG 3.48Å; S49-M53 PolarHBondContact O-N 2.84Å; D50-M53 PolarHBondContact O-N 3.38Å; M53-R55 VanDerWaalsContact C-N 3.27Å; M53-R55 PolarHBondContact O-N 3.46Å; M53-L56 HydrophobicContact CE-CD1 4.05Å; M53-L56 PolarHBondContact O-N 3.5Å; M53-Q57 VanDerWaalsContact O-CB 3.24Å; M53-Q57 WeakPolarHBondContact O-CB 3.49Å; M53-Q57 WeakPolarHBondContact O-CG 3.47Å; M53-Q57 PolarHBondContact O-N 2.78Å |
| 54 | K | 85.8 | Confident | 77.7 | Confident | 147 Ų | 147 | 122.2 Ų | 122.2 | 64% | 0.639 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.5 | -31.5 | 176.4 | -169.9 | 157.7 | -178.6 | 160.3 | 0 | 112.6 | D50 F51 L52 K58 | D50-K54 WeakPolarHBondContact O-CB 3.15Å; D50-K54 PolarHBondContact O-N 3.34Å; F51-K54 PolarHBondContact O-N 2.99Å; L52-K54 PolarHBondContact O-N 3.47Å; K54-K58 WeakPolarHBondContact O-CB 3.21Å; K54-K58 PolarHBondContact O-N 2.85Å |
| 55 | R | 82.8 | Confident | 78 | Confident | 177 Ų | 177 | 119.3 Ų | 119.3 | 67% | 0.668 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -74.9 | -40.6 | 174.6 | -172 | 171.1 | 179.7 | 106.7 | 0.3 | 112.3 | F51 L52 M53 K58 | F51-R55 WeakPolarHBondContact O-CB 3.24Å; F51-R55 PolarHBondContact O-N 3.48Å; L52-R55 PolarHBondContact O-N 3Å; L52-R55 VanDerWaalsContact O-N 3.14Å; M53-R55 VanDerWaalsContact C-N 3.27Å; M53-R55 PolarHBondContact O-N 3.46Å; R55-K58 PolarHBondContact O-N 3.2Å |
| 56 | L | 84.2 | Confident | 78.6 | Confident | 98 Ų | 98 | 114.4 Ų | 114.4 | 51% | 0.513 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.2 | -41.2 | 176.8 | -69 | 172 | 0 | 0 | 0 | 111.6 | L52 M53 K58 G59 | L52-L56 HydrophobicContact CD1-CD1 4.27Å; L52-L56 HydrophobicContact CD1-CG 4.29Å; L52-L56 HydrophobicContact CG-CD1 3.97Å; L52-L56 HydrophobicContact CG-CG 4.41Å; L52-L56 WeakPolarHBondContact O-CB 3.3Å; L52-L56 VanDerWaalsContact O-CG 3.3Å; L52-L56 WeakPolarHBondContact O-CG 3.3Å; L52-L56 PolarHBondContact O-N 3.14Å; M53-L56 HydrophobicContact CE-CD1 4.05Å; M53-L56 PolarHBondContact O-N 3.5Å; L56-K58 VanDerWaalsContact C-N 3.27Å; L56-K58 PolarHBondContact O-N 3.37Å; L56-G59 PolarHBondContact O-N 3.41Å |
| 57 | Q | 84.1 | Confident | 79.3 | Confident | 160 Ų | 160 | 111.2 Ų | 111.2 | 75% | 0.748 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.7 | -32.7 | 175 | -75.4 | 170.7 | 2.5 | 0 | 0 | 112.6 | M53 G59 | M53-Q57 VanDerWaalsContact O-CB 3.24Å; M53-Q57 WeakPolarHBondContact O-CB 3.49Å; M53-Q57 WeakPolarHBondContact O-CG 3.47Å; M53-Q57 PolarHBondContact O-N 2.78Å; Q57-G59 PolarHBondContact O-N 3.06Å |
| 58 | K | 78.1 | Confident | 80 | Confident | 159 Ų | 159 | 117 Ų | 117 | 69% | 0.691 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -5.4 | 175.4 | -128.3 | 165.7 | -179.9 | 175.8 | 0 | 113.2 | K54 R55 L56 | K54-K58 WeakPolarHBondContact O-CB 3.21Å; K54-K58 PolarHBondContact O-N 2.85Å; R55-K58 PolarHBondContact O-N 3.2Å; L56-K58 VanDerWaalsContact C-N 3.27Å; L56-K58 PolarHBondContact O-N 3.37Å |
| 59 | G | 79.1 | Confident | 80 | Confident | 40 Ų | 40 | 120 Ų | 120 | 41% | 0.412 | 59% | 0.591 | S | S | . | * | trans | 71.9 | 169.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | L56 Q57 K61 | L56-G59 PolarHBondContact O-N 3.41Å; Q57-G59 PolarHBondContact O-N 3.06Å; G59-K61 PolarHBondContact O-N 3.44Å; G59-K61 VanDerWaalsContact O-N 3.11Å | ||
| 60 | Q | 78.3 | Confident | 79.8 | Confident | 151 Ų | 151 | 123.1 Ų | 123.1 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | trans | -69.6 | 106.3 | 166.8 | -68.8 | -61.9 | -26.3 | 0 | 0 | 108.2 | Y62 | Q60-Y62 HydrophobicContact CB-CE2 4.38Å; Q60-Y62 PolarHBondContact O-N 3.41Å | ||
| 61 | K | 77.2 | Confident | 78.9 | Confident | 175 Ų | 175 | 122 Ų | 122 | 76% | 0.761 | 61% | 0.606 | S | S | * | * | trans | -82.2 | 98.6 | 169.9 | -67.5 | -170.6 | 67.8 | 67.2 | 0 | 107.6 | G59 | G59-K61 PolarHBondContact O-N 3.44Å; G59-K61 VanDerWaalsContact O-N 3.11Å | ||
| 62 | Y | 76.6 | Confident | 78 | Confident | 200 Ų | 200 | 123.3 Ų | 123.3 | 78% | 0.784 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 143.7 | 162.6 | -55.6 | -75.4 | 0 | 0 | 0 | 108.4 | Q60 D64 | Q60-Y62 HydrophobicContact CB-CE2 4.38Å; Q60-Y62 PolarHBondContact O-N 3.41Å; Y62-D64 PolarHBondContact O-N 3.05Å |
| 63 | F | 74.3 | Confident | 77.1 | Confident | 99 Ų | 99 | 122.4 Ų | 122.4 | 43% | 0.434 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -65 | 117.2 | 168.7 | -164.8 | -95.5 | 0 | 0 | 0 | 107.3 | S65 D67 Y68 | F63-S65 PolarHBondContact O-N 3.47Å; F63-D67 HydrophobicContact CD1-CB 4.04Å; F63-D67 HydrophobicContact CD2-CB 3.84Å; F63-D67 HydrophobicContact CE1-CB 3.56Å; F63-D67 HydrophobicContact CE2-CB 3.39Å; F63-D67 HydrophobicContact CG-CB 4.18Å; F63-D67 HydrophobicContact CZ-CB 3.28Å; F63-D67 WeakPolarHBondContact CZ-O 3.2Å; F63-Y68 HydrophobicContact CD1-CD1 4.48Å; F63-Y68 HydrophobicContact CD1-CD2 4.12Å; F63-Y68 HydrophobicContact CD1-CE1 4.12Å; F63-Y68 AromaticContact CD1-CE2 3.7Å; F63-Y68 HydrophobicContact CD1-CE2 3.7Å; F63-Y68 HydrophobicContact CD1-CG 4.46Å; F63-Y68 AromaticContact CD1-CZ 3.7Å; F63-Y68 AromaticContact CE1-CD1 3.47Å; F63-Y68 HydrophobicContact CE1-CD1 3.47Å; F63-Y68 VanDerWaalsContact CE1-CD1 3.47Å; F63-Y68 AromaticContact CE1-CD2 3.34Å; F63-Y68 HydrophobicContact CE1-CD2 3.34Å; F63-Y68 AromaticContact CE1-CE1 3.52Å; F63-Y68 HydrophobicContact CE1-CE1 3.52Å; F63-Y68 AromaticContact CE1-CE2 3.36Å; F63-Y68 HydrophobicContact CE1-CE2 3.36Å; F63-Y68 AromaticContact CE1-CG 3.35Å; F63-Y68 HydrophobicContact CE1-CG 3.35Å; F63-Y68 AromaticContact CE1-CZ 3.45Å; F63-Y68 VanDerWaalsContact CE1-CZ 3.45Å; F63-Y68 VanDerWaalsContact CE1-N 3.28Å; F63-Y68 AromaticContact CZ-CD1 3.57Å; F63-Y68 HydrophobicContact CZ-CD1 3.57Å; F63-Y68 HydrophobicContact CZ-CD2 4.21Å; F63-Y68 AromaticContact CZ-CE1 3.83Å; F63-Y68 HydrophobicContact CZ-CE1 3.83Å; F63-Y68 HydrophobicContact CZ-CE2 4.41Å; F63-Y68 AromaticContact CZ-CG 3.75Å; F63-Y68 HydrophobicContact CZ-CG 3.75Å |
| 64 | D | 76.8 | Confident | 76.1 | Confident | 106 Ų | 106 | 127 Ų | 127 | 57% | 0.567 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 136.1 | 169.2 | -171.8 | -2 | 0 | 0 | 0 | 106.5 | Y62 G66 D67 | Y62-D64 PolarHBondContact O-N 3.05Å; D64-G66 PolarHBondContact O-N 2.95Å; D64-D67 PolarHBondContact O-N 3.27Å |
| 65 | S | 74.6 | Confident | 75 | Confident | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51 | -16.6 | -179.7 | 59.2 | 0 | 0 | 0 | 0 | 113.8 | F63 | F63-S65 PolarHBondContact O-N 3.47Š|
| 66 | G | 78.6 | Confident | 74.1 | Confident | 43 Ų | 43 | 128.8 Ų | 128.8 | 44% | 0.443 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.6 | -10.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | D64 Y68 | D64-G66 PolarHBondContact O-N 2.95Å; G66-Y68 PolarHBondContact O-N 3.4Å |
| 67 | D | 78.6 | Confident | 72.8 | Confident | 72 Ų | 72 | 131.5 Ų | 131.5 | 39% | 0.385 | 67% | 0.667 | S | S | . | * | G | 310 helix | trans | -74.1 | -8.1 | -173.9 | -84.3 | -14.8 | 0 | 0 | 0 | 113.7 | F63 D64 N69 M70 | F63-D67 HydrophobicContact CD1-CB 4.04Å; F63-D67 HydrophobicContact CD2-CB 3.84Å; F63-D67 HydrophobicContact CE1-CB 3.56Å; F63-D67 HydrophobicContact CE2-CB 3.39Å; F63-D67 HydrophobicContact CG-CB 4.18Å; F63-D67 HydrophobicContact CZ-CB 3.28Å; F63-D67 WeakPolarHBondContact CZ-O 3.2Å; D64-D67 PolarHBondContact O-N 3.27Å; D67-N69 PolarHBondContact O-N 3.01Å; D67-M70 HydrophobicContact CB-CE 4.15Å; D67-M70 PolarHBondContact O-N 3.12Å |
| 68 | Y | 82.8 | Confident | 71.8 | Confident | 165 Ų | 165 | 133.3 Ų | 133.3 | 65% | 0.647 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -62.4 | -19.8 | -177 | -75 | -64 | 0 | 0 | 0 | 113.1 | F63 G66 M70 | F63-Y68 HydrophobicContact CD1-CD1 4.48Å; F63-Y68 HydrophobicContact CD1-CD2 4.12Å; F63-Y68 HydrophobicContact CD1-CE1 4.12Å; F63-Y68 AromaticContact CD1-CE2 3.7Å; F63-Y68 HydrophobicContact CD1-CE2 3.7Å; F63-Y68 HydrophobicContact CD1-CG 4.46Å; F63-Y68 AromaticContact CD1-CZ 3.7Å; F63-Y68 AromaticContact CE1-CD1 3.47Å; F63-Y68 HydrophobicContact CE1-CD1 3.47Å; F63-Y68 VanDerWaalsContact CE1-CD1 3.47Å; F63-Y68 AromaticContact CE1-CD2 3.34Å; F63-Y68 HydrophobicContact CE1-CD2 3.34Å; F63-Y68 AromaticContact CE1-CE1 3.52Å; F63-Y68 HydrophobicContact CE1-CE1 3.52Å; F63-Y68 AromaticContact CE1-CE2 3.36Å; F63-Y68 HydrophobicContact CE1-CE2 3.36Å; F63-Y68 AromaticContact CE1-CG 3.35Å; F63-Y68 HydrophobicContact CE1-CG 3.35Å; F63-Y68 AromaticContact CE1-CZ 3.45Å; F63-Y68 VanDerWaalsContact CE1-CZ 3.45Å; F63-Y68 VanDerWaalsContact CE1-N 3.28Å; F63-Y68 AromaticContact CZ-CD1 3.57Å; F63-Y68 HydrophobicContact CZ-CD1 3.57Å; F63-Y68 HydrophobicContact CZ-CD2 4.21Å; F63-Y68 AromaticContact CZ-CE1 3.83Å; F63-Y68 HydrophobicContact CZ-CE1 3.83Å; F63-Y68 HydrophobicContact CZ-CE2 4.41Å; F63-Y68 AromaticContact CZ-CG 3.75Å; F63-Y68 HydrophobicContact CZ-CG 3.75Å; G66-Y68 PolarHBondContact O-N 3.4Å; Y68-M70 VanDerWaalsContact C-N 3.34Å; Y68-M70 PolarHBondContact O-N 2.9Å |
| 69 | N | 76.4 | Confident | 70.9 | Confident | 111 Ų | 111 | 134.8 Ų | 134.8 | 59% | 0.594 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -80 | -9.1 | -173.7 | -73 | -30.5 | 0 | 0 | 0 | 114.7 | D67 A71 K72 A73 | D67-N69 PolarHBondContact O-N 3.01Å; N69-A71 VanDerWaalsContact C-N 3.28Å; N69-A71 PolarHBondContact O-N 3.04Å; N69-K72 PolarHBondContact O-N 3.26Å; N69-A73 VanDerWaalsContact O-CB 3.27Å; N69-A73 WeakPolarHBondContact O-CB 3.28Å; N69-A73 PolarHBondContact O-N 3.28Å |
| 70 | M | 72.5 | Confident | 69.6 | Low | 138 Ų | 138 | 139.5 Ų | 139.5 | 68% | 0.68 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -64.1 | -32.3 | 174.4 | -69 | -172.7 | -73.4 | 0 | 0 | 112.8 | D67 Y68 K72 | D67-M70 HydrophobicContact CB-CE 4.15Å; D67-M70 PolarHBondContact O-N 3.12Å; Y68-M70 VanDerWaalsContact C-N 3.34Å; Y68-M70 PolarHBondContact O-N 2.9Å; M70-K72 VanDerWaalsContact C-N 3.34Å |
| 71 | A | 62.9 | Low | 68.6 | Low | 96 Ų | 96 | 137.9 Ų | 137.9 | 79% | 0.793 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -76.8 | -20.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N69 | N69-A71 VanDerWaalsContact C-N 3.28Å; N69-A71 PolarHBondContact O-N 3.04Å |
| 72 | K | 65.9 | Low | 67.4 | Low | 173 Ų | 173 | 136.3 Ų | 136.3 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -22.5 | -178.6 | -68.3 | -79 | -175.9 | 170.5 | 0 | 112.6 | N69 M70 K74 | N69-K72 PolarHBondContact O-N 3.26Å; M70-K72 VanDerWaalsContact C-N 3.34Å; K72-K74 PolarHBondContact O-N 3.45Å |
| 73 | A | 63.6 | Low | 66.2 | Low | 75 Ų | 75 | 130.7 Ų | 130.7 | 62% | 0.62 | 70% | 0.699 | S | S | * | * | trans | -74.6 | 72.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | N69 M75 | N69-A73 VanDerWaalsContact O-CB 3.27Å; N69-A73 WeakPolarHBondContact O-CB 3.28Å; N69-A73 PolarHBondContact O-N 3.28Å; A73-M75 PolarHBondContact O-N 3.38Å | ||
| 74 | K | 64.4 | Low | 65.3 | Low | 179 Ų | 179 | 127.9 Ų | 127.9 | 78% | 0.778 | 70% | 0.698 | S | S | * | * | trans | -54 | 107.3 | 162.6 | -75.9 | 179.4 | 171.6 | -178.3 | 0 | 109.1 | K72 K76 | K72-K74 PolarHBondContact O-N 3.45Å; K74-K76 PolarHBondContact O-N 2.8Å | ||
| 75 | M | 63 | Low | 64.2 | Low | 167 Ų | 167 | 129.2 Ų | 129.2 | 82% | 0.823 | 71% | 0.713 | S | S | * | * | trans | 14.5 | 81.4 | 143.4 | 38.1 | -156.3 | 63.6 | 0 | 0 | 115.4 | A73 | A73-M75 PolarHBondContact O-N 3.38Š| ||
| 76 | K | 64.9 | Low | 63.1 | Low | 194 Ų | 194 | 129.9 Ų | 129.9 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | trans | -103 | 7.4 | 164.3 | -91.9 | -172.7 | 176.9 | -177.8 | 0 | 113.7 | K74 K78 | K74-K76 PolarHBondContact O-N 2.8Å; K76-K78 PolarHBondContact O-N 3.27Å; K76-K78 VanDerWaalsContact O-N 3.13Å | ||
| 77 | N | 56.6 | Low | 62.1 | Low | 155 Ų | 155 | 137.6 Ų | 137.6 | 83% | 0.829 | 73% | 0.729 | S | S | * | * | trans | -83.3 | 90.6 | 164.2 | -73.6 | -16.2 | 0 | 0 | 0 | 109 | Q79 | N77-Q79 PolarHBondContact O-N 3.35Š| ||
| 78 | K | 63.3 | Low | 61.1 | Low | 198 Ų | 198 | 140.2 Ų | 140.2 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | trans | -71.2 | 64.8 | 173.7 | -78.2 | -90.1 | -171 | 176.3 | 0 | 111.4 | K76 | K76-K78 PolarHBondContact O-N 3.27Å; K76-K78 VanDerWaalsContact O-N 3.13Å | ||
| 79 | Q | 58.7 | Low | 59.9 | Low | 190 Ų | 190 | 139.5 Ų | 139.5 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | trans | -146.7 | 72.8 | 148.1 | -72 | -161.9 | 72.9 | 0 | 0 | 107.5 | N77 | N77-Q79 PolarHBondContact O-N 3.35Š| ||
| 80 | L | 51.4 | Low | 59.3 | Low | 139 Ų | 139 | 139.1 Ų | 139.1 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | trans | -74.6 | 137 | 153.4 | -73.2 | 162.4 | 0 | 0 | 0 | 106.3 | V82 | L80-V82 PolarHBondContact O-N 2.84Š| ||
| 81 | P | 57.5 | Low | 58.6 | Low | 117 Ų | 117 | 137.4 Ų | 137.4 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | trans | -54.5 | 132.1 | 162.3 | 25.2 | -31.3 | 0 | 0 | 0 | 107.2 | A83 | P81-A83 VanDerWaalsContact C-N 3.28Å; P81-A83 PolarHBondContact O-N 3.07Å | ||
| 82 | V | 52 | Low | 58.7 | Low | 143 Ų | 143 | 136.6 Ų | 136.6 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | trans | -61.3 | 97.8 | 171.8 | 172.7 | 0 | 0 | 0 | 0 | 106.5 | L80 G84 | L80-V82 PolarHBondContact O-N 2.84Å; V82-G84 PolarHBondContact O-N 3.2Å | ||
| 83 | A | 52.6 | Low | 58.5 | Low | 81 Ų | 81 | 135.9 Ų | 135.9 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | trans | -65.2 | 127.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 105.7 | P81 | P81-A83 VanDerWaalsContact C-N 3.28Å; P81-A83 PolarHBondContact O-N 3.07Å | ||
| 84 | G | 54.8 | Low | 59.2 | Low | 40 Ų | 40 | 137.6 Ų | 137.6 | 41% | 0.412 | 75% | 0.749 | S | S | . | * | trans | -59.9 | -168.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | V82 D86 | V82-G84 PolarHBondContact O-N 3.2Å; G84-D86 PolarHBondContact O-N 2.97Å | ||
| 85 | P | 52.8 | Low | 59.7 | Low | 135 Ų | 135 | 135.7 Ų | 135.7 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -70.7 | 65.9 | 176.9 | 32.7 | -34.7 | 0 | 0 | 0 | 110.6 | ||
| 86 | D | 51.3 | Low | 60.3 | Low | 117 Ų | 117 | 131.1 Ų | 131.1 | 63% | 0.626 | 73% | 0.729 | S | S | * | * | trans | -105.4 | 105.1 | -179.4 | -76.3 | -33.4 | 0 | 0 | 0 | 108.4 | G84 N88 | G84-D86 PolarHBondContact O-N 2.97Å; D86-N88 PolarHBondContact O-N 3.29Å | ||
| 87 | K | 57.2 | Low | 61.1 | Low | 204 Ų | 204 | 124.8 Ų | 124.8 | 89% | 0.887 | 71% | 0.707 | S | S | * | * | trans | -16.5 | 34.3 | 162 | -42 | -174.8 | -169.9 | -175.4 | 0 | 120.1 | ||||
| 88 | N | 58.7 | Low | 62.1 | Low | 128 Ų | 128 | 123.2 Ų | 123.2 | 68% | 0.684 | 71% | 0.705 | S | S | * | * | trans | -117.7 | 61.9 | -178.9 | -69.3 | -70.4 | 0 | 0 | 0 | 110.1 | D86 V90 | D86-N88 PolarHBondContact O-N 3.29Å; N88-V90 PolarHBondContact O-N 3.39Å | ||
| 89 | L | 58.2 | Low | 62.9 | Low | 150 Ų | 150 | 122.2 Ų | 122.2 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | trans | -77.1 | 63 | 161 | -68.1 | 173.2 | 0 | 0 | 0 | 108.9 | T91 | L89-T91 PolarHBondContact O-N 3.35Š| ||
| 90 | V | 62.4 | Low | 63.8 | Low | 102 Ų | 102 | 117.8 Ų | 117.8 | 62% | 0.618 | 69% | 0.685 | S | S | * | * | trans | -89.6 | 39.3 | 174.1 | 87.4 | 0 | 0 | 0 | 0 | 110.4 | N88 G92 | N88-V90 PolarHBondContact O-N 3.39Å; V90-G92 PolarHBondContact O-N 3.17Å | ||
| 91 | T | 57.7 | Low | 65 | Low | 103 Ų | 103 | 116 Ų | 116 | 63% | 0.632 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -63.9 | 130.4 | 156 | -52.9 | 0 | 0 | 0 | 0 | 104.5 | L89 D93 H94 | L89-T91 PolarHBondContact O-N 3.35Å; T91-D93 PolarHBondContact O-N 2.85Å; T91-H94 PolarHBondContact O-N 2.98Å; T91-H94 VanDerWaalsContact O-N 3.1Å |
| 92 | G | 65.1 | Low | 66.2 | Low | 78 Ų | 78 | 116.2 Ų | 116.2 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | 7.3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 118 | V90 | V90-G92 PolarHBondContact O-N 3.17Š|
| 93 | D | 62.6 | Low | 67.7 | Low | 159 Ų | 159 | 117.5 Ų | 117.5 | 85% | 0.85 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -26.4 | 166.3 | -76.9 | -8.1 | 0 | 0 | 0 | 113.5 | T91 | T91-D93 PolarHBondContact O-N 2.85Š|
| 94 | H | 77.2 | Confident | 69 | Low | 111 Ų | 111 | 124.5 Ų | 124.5 | 51% | 0.514 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -105.6 | 103.5 | -179.8 | -164.1 | 64.8 | 0 | 0 | 0 | 111.8 | T91 | T91-H94 PolarHBondContact O-N 2.98Å; T91-H94 VanDerWaalsContact O-N 3.1Å |
| 95 | I | 76.5 | Confident | 70.3 | Confident | 139 Ų | 139 | 133 Ų | 133 | 71% | 0.713 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 123.2 | 173.5 | -58.6 | 180 | 0 | 0 | 0 | 108.4 | T97 | I95-T97 PolarHBondContact O-N 3.11Š|
| 96 | P | 75.8 | Confident | 71.4 | Confident | 70 Ų | 70 | 131.7 Ų | 131.7 | 46% | 0.455 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 126.3 | 178 | -22.4 | 31.8 | 0 | 0 | 0 | 110.7 | D100 L101 | P96-D100 HydrophobicContact CB-CB 4.41Å; P96-L101 HydrophobicContact CB-CD1 3.67Å |
| 97 | T | 81.8 | Confident | 72.4 | Confident | 62 Ų | 62 | 130.9 Ų | 130.9 | 38% | 0.38 | 70% | 0.701 | S | S | . | * | P | Polyproline II helix | trans | -78.8 | 160.2 | 174.4 | 68.9 | 0 | 0 | 0 | 0 | 109.7 | I95 Q99 D100 | I95-T97 PolarHBondContact O-N 3.11Å; T97-Q99 PolarHBondContact O-N 3.25Å; T97-D100 WeakPolarHBondContact CB-OD2 3.34Å; T97-D100 PolarHBondContact N-OD2 2.88Å; T97-D100 WeakPolarHBondContact O-CB 3.34Å; T97-D100 PolarHBondContact O-N 3.03Å; T97-D100 PolarHBondContact OG1-OD2 2.8Å |
| 98 | P | 77.6 | Confident | 73 | Confident | 122 Ų | 122 | 128.6 Ų | 128.6 | 79% | 0.792 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -21.1 | 178.2 | -25.6 | 34.7 | 0 | 0 | 0 | 114.2 | ||
| 99 | Q | 79.9 | Confident | 73.4 | Confident | 176 Ų | 176 | 128.2 Ų | 128.2 | 82% | 0.822 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -26.3 | 176.6 | -158.7 | 69.1 | 9.1 | 0 | 0 | 112.8 | T97 L101 | T97-Q99 PolarHBondContact O-N 3.25Å; Q99-L101 VanDerWaalsContact C-N 3.31Å |
| 100 | D | 77.4 | Confident | 73.9 | Confident | 97 Ų | 97 | 126.3 Ų | 126.3 | 52% | 0.519 | 69% | 0.694 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.4 | -13.9 | 179.2 | -55.9 | -48.1 | 0 | 0 | 0 | 112.1 | P96 T97 | P96-D100 HydrophobicContact CB-CB 4.41Å; T97-D100 WeakPolarHBondContact CB-OD2 3.34Å; T97-D100 PolarHBondContact N-OD2 2.88Å; T97-D100 WeakPolarHBondContact O-CB 3.34Å; T97-D100 PolarHBondContact O-N 3.03Å; T97-D100 PolarHBondContact OG1-OD2 2.8Å |
| 101 | L | 76.2 | Confident | 74.4 | Confident | 103 Ų | 103 | 126.1 Ų | 126.1 | 54% | 0.539 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -87.7 | 138.2 | 177.4 | -93.1 | 67 | 0 | 0 | 0 | 110.7 | P96 Q99 Q103 | P96-L101 HydrophobicContact CB-CD1 3.67Å; Q99-L101 VanDerWaalsContact C-N 3.31Å; L101-Q103 PolarHBondContact O-N 3.23Å |
| 102 | P | 83.2 | Confident | 75 | Confident | 121 Ų | 121 | 130.7 Ų | 130.7 | 79% | 0.786 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 127.9 | 173.6 | 24.7 | -32.6 | 0 | 0 | 0 | 109.8 | R104 | P102-R104 PolarHBondContact O-N 3.42Å; P102-R104 VanDerWaalsContact O-N 3.09Å |
| 103 | Q | 82.8 | Confident | 75 | Confident | 170 Ų | 170 | 134.7 Ų | 134.7 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 117 | -177.6 | -165.8 | 175.2 | 6.8 | 0 | 0 | 110 | L101 R105 | L101-Q103 PolarHBondContact O-N 3.23Å; Q103-R105 PolarHBondContact O-N 2.7Å; Q103-R105 VanDerWaalsContact O-N 3.11Å |
| 104 | R | 79.3 | Confident | 74.9 | Confident | 227 Ų | 227 | 132 Ų | 132 | 86% | 0.857 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -61 | 116 | 179.5 | -173.2 | 173.3 | -179.4 | -98.7 | 0.3 | 109.1 | P102 S106 | P102-R104 PolarHBondContact O-N 3.42Å; P102-R104 VanDerWaalsContact O-N 3.09Å; R104-S106 PolarHBondContact O-N 3.18Å |
| 105 | R | 82 | Confident | 73.5 | Confident | 219 Ų | 219 | 134 Ų | 134 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -70 | 124.7 | 173.1 | -60.7 | -63.3 | -166.4 | 174.4 | 2.3 | 108.6 | Q103 S107 | Q103-R105 PolarHBondContact O-N 2.7Å; Q103-R105 VanDerWaalsContact O-N 3.11Å; R105-S107 PolarHBondContact O-N 3.13Å |
| 106 | S | 75.8 | Confident | 73.4 | Confident | 107 Ų | 107 | 133.8 Ų | 133.8 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 117.1 | 167 | 47.8 | 0 | 0 | 0 | 0 | 108 | R104 L108 | R104-S106 PolarHBondContact O-N 3.18Å; S106-L108 PolarHBondContact O-N 3.44Å; S106-L108 VanDerWaalsContact O-N 3.15Å |
| 107 | S | 73.6 | Confident | 73.2 | Confident | 101 Ų | 101 | 137.2 Ų | 137.2 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -77.5 | 99.4 | 174 | 62.3 | 0 | 0 | 0 | 0 | 108.4 | R105 V109 | R105-S107 PolarHBondContact O-N 3.13Å; S107-V109 PolarHBondContact O-N 3.11Å | ||
| 108 | L | 69.1 | Low | 72.8 | Confident | 156 Ų | 156 | 141.3 Ų | 141.3 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | trans | -80.6 | 66.3 | 167.4 | -142.5 | 161 | 0 | 0 | 0 | 107.9 | S106 T110 | S106-L108 PolarHBondContact O-N 3.44Å; S106-L108 VanDerWaalsContact O-N 3.15Å; L108-T110 HydrophobicContact CD2-CG2 4Å; L108-T110 PolarHBondContact O-N 2.99Å | ||
| 109 | V | 68 | Low | 72.5 | Confident | 120 Ų | 120 | 142.5 Ų | 142.5 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -88.9 | 97.1 | 174.3 | 177.1 | 0 | 0 | 0 | 0 | 106.6 | S107 S111 | S107-V109 PolarHBondContact O-N 3.11Å; V109-S111 PolarHBondContact O-N 3.2Å | ||
| 110 | T | 68.4 | Low | 72 | Confident | 110 Ų | 110 | 140.4 Ų | 140.4 | 68% | 0.675 | 80% | 0.801 | S | S | * | * | trans | -70 | 115.7 | 162.5 | 57.1 | 0 | 0 | 0 | 0 | 107.1 | L108 K112 | L108-T110 HydrophobicContact CD2-CG2 4Å; L108-T110 PolarHBondContact O-N 2.99Å; T110-K112 PolarHBondContact O-N 3.37Å | ||
| 111 | S | 71.8 | Confident | 71.7 | Confident | 97 Ų | 97 | 143.3 Ų | 143.3 | 68% | 0.678 | 82% | 0.82 | S | S | * | * | trans | -59.9 | 132.4 | 173.3 | 50.3 | 0 | 0 | 0 | 0 | 109.7 | V109 L113 | V109-S111 PolarHBondContact O-N 3.2Å; S111-L113 PolarHBondContact O-N 3.39Å | ||
| 112 | K | 71.6 | Confident | 71.3 | Confident | 199 Ų | 199 | 146.1 Ų | 146.1 | 87% | 0.865 | 84% | 0.84 | S | S | * | * | trans | -86.2 | 32.6 | 171.1 | -67 | -175.4 | 173.3 | -179.7 | 0 | 112.1 | T110 A114 | T110-K112 PolarHBondContact O-N 3.37Å; K112-A114 PolarHBondContact O-N 3.46Å | ||
| 113 | L | 65.2 | Low | 70.4 | Confident | 163 Ų | 163 | 148.1 Ų | 148.1 | 85% | 0.853 | 84% | 0.844 | S | S | * | * | trans | -102.8 | 60.2 | -179.8 | -63.3 | -179 | 0 | 0 | 0 | 110.3 | S111 | S111-L113 PolarHBondContact O-N 3.39Š| ||
| 114 | A | 59.7 | Low | 69.4 | Low | 102 Ų | 102 | 146.3 Ų | 146.3 | 84% | 0.843 | 85% | 0.849 | S | S | * | * | trans | -170.7 | 105 | 158.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | K112 | K112-A114 PolarHBondContact O-N 3.46Š| ||
| 115 | G | 48.4 | Very low | 68.5 | Low | 154 Ų | 154 | 138.9 Ų | 138.9 | 100% | 1.588 | 85% | 0.848 | S | S | * | * | trans | 178.7 | 0 | -179.5 | 0 | 0 | 0 | 0 | 0 | 108.8 |
Retrieved 115 of 115 residues in 582.7 ms
(Link to these results)