| 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 | 49.5 | Very low | 51.6 | Low | 259 Ų | 259 | 125.3 Ų | 125.3 | 100% | 1.276 | 69% | 0.689 | S | S | * | * | 0 | 74.4 | 0 | -74.6 | 159.3 | 158.1 | 0 | 0 | 109.4 | |||||
| 2 | G | 49.7 | Very low | 51.9 | Low | 56 Ų | 56 | 122.3 Ų | 122.3 | 58% | 0.577 | 67% | 0.669 | S | S | * | * | trans | -150.9 | 8.6 | -166.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 3 | N | 56.9 | Low | 52.3 | Low | 130 Ų | 130 | 122.5 Ų | 122.5 | 70% | 0.695 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -123.6 | -0.7 | -168.4 | -57.5 | 21.4 | 0 | 0 | 0 | 114.1 | ||
| 4 | I | 53.9 | Low | 52.3 | Low | 146 Ų | 146 | 116.4 Ų | 116.4 | 75% | 0.749 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -79.3 | -35.8 | -177 | -79 | 151.6 | 0 | 0 | 0 | 111.8 | I6 K7 L8 | I4-I6 VanDerWaalsContact C-N 3.27Å; I4-I6 PolarHBondContact O-N 3.27Å; I4-K7 PolarHBondContact O-N 3.25Å; I4-L8 PolarHBondContact O-N 3.3Å |
| 5 | S | 53.9 | Low | 52.4 | Low | 94 Ų | 94 | 111.5 Ų | 111.5 | 66% | 0.657 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.6 | -28.9 | -177.5 | -51.1 | 0 | 0 | 0 | 0 | 113.7 | M9 | S5-M9 PolarHBondContact O-N 3.33Å |
| 6 | I | 54.1 | Low | 52.4 | Low | 128 Ų | 128 | 111.1 Ų | 111.1 | 66% | 0.656 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -76.2 | -38.3 | -178 | -56.7 | 170.4 | 0 | 0 | 0 | 110.9 | I4 A10 | I4-I6 VanDerWaalsContact C-N 3.27Å; I4-I6 PolarHBondContact O-N 3.27Å; I6-A10 PolarHBondContact O-N 3.45Å |
| 7 | K | 48.2 | Very low | 52.4 | Low | 160 Ų | 160 | 113.1 Ų | 113.1 | 70% | 0.696 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.8 | -38.2 | 177.3 | -73.2 | -172.5 | 174.3 | -173.1 | 0 | 111.7 | I4 A10 I11 | I4-K7 PolarHBondContact O-N 3.25Å; K7-A10 PolarHBondContact O-N 2.82Å; K7-I11 WeakPolarHBondContact O-CG1 3.01Å; K7-I11 PolarHBondContact O-N 3.35Å |
| 8 | L | 47 | Very low | 52.3 | Low | 107 Ų | 107 | 112.8 Ų | 112.8 | 56% | 0.56 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.5 | -41.7 | 179.1 | -158.4 | 71.7 | 0 | 0 | 0 | 112 | I4 A10 I11 I12 | I4-L8 PolarHBondContact O-N 3.3Å; L8-A10 VanDerWaalsContact C-N 3.32Å; L8-A10 PolarHBondContact O-N 3.43Å; L8-I11 PolarHBondContact O-N 2.02Å; L8-I12 HydrophobicContact CG-CD1 4.31Å; L8-I12 WeakPolarHBondContact O-CD1 2.83Å; L8-I12 VanDerWaalsContact O-CG1 3.27Å; L8-I12 WeakPolarHBondContact O-CG1 3.19Å; L8-I12 PolarHBondContact O-N 3.14Å |
| 9 | M | 48.8 | Very low | 52.2 | Low | 125 Ų | 125 | 108.9 Ų | 108.9 | 62% | 0.616 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -59.8 | -39.6 | 174 | -90.7 | -85.2 | -166.5 | 0 | 0 | 112.8 | S5 I12 M13 | S5-M9 PolarHBondContact O-N 3.33Å; M9-I12 PolarHBondContact O-N 3.41Å; M9-M13 PolarHBondContact O-N 2.94Å |
| 10 | A | 52.9 | Low | 51.9 | Low | 66 Ų | 66 | 110.6 Ų | 110.6 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.8 | -38.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I6 K7 L8 G14 | I6-A10 PolarHBondContact O-N 3.45Å; K7-A10 PolarHBondContact O-N 2.82Å; L8-A10 VanDerWaalsContact C-N 3.32Å; L8-A10 PolarHBondContact O-N 3.43Å; A10-G14 PolarHBondContact O-N 2.89Å |
| 11 | I | 52.9 | Low | 51.8 | Low | 107 Ų | 107 | 109.9 Ų | 109.9 | 55% | 0.549 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65 | -45.8 | 175.9 | -64.1 | 163 | 0 | 0 | 0 | 109.8 | K7 L8 M13 G14 V15 | K7-I11 WeakPolarHBondContact O-CG1 3.01Å; K7-I11 PolarHBondContact O-N 3.35Å; L8-I11 PolarHBondContact O-N 2.02Å; I11-M13 PolarHBondContact O-N 3.31Å; I11-G14 PolarHBondContact O-N 3.37Å; I11-V15 HydrophobicContact CG2-CG2 4.39Å; I11-V15 VanDerWaalsContact O-CG2 3.29Å; I11-V15 WeakPolarHBondContact O-CG2 3.42Å; I11-V15 PolarHBondContact O-N 3.23Å |
| 12 | I | 55.3 | Low | 51.7 | Low | 89 Ų | 89 | 100.2 Ų | 100.2 | 46% | 0.456 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 179.3 | -63.6 | 162 | 0 | 0 | 0 | 111.1 | L8 M9 G14 V15 L16 | L8-I12 HydrophobicContact CG-CD1 4.31Å; L8-I12 WeakPolarHBondContact O-CD1 2.83Å; L8-I12 VanDerWaalsContact O-CG1 3.27Å; L8-I12 WeakPolarHBondContact O-CG1 3.19Å; L8-I12 PolarHBondContact O-N 3.14Å; M9-I12 PolarHBondContact O-N 3.41Å; I12-G14 VanDerWaalsContact C-N 3.35Å; I12-G14 PolarHBondContact O-N 3.21Å; I12-V15 PolarHBondContact O-N 2.92Å; I12-L16 HydrophobicContact CG2-CD1 3.95Å; I12-L16 WeakPolarHBondContact O-CB 3.42Å; I12-L16 VanDerWaalsContact O-CG 3.28Å; I12-L16 WeakPolarHBondContact O-CG 3.32Å; I12-L16 PolarHBondContact O-N 3.19Å |
| 13 | M | 56.9 | Low | 51.3 | Low | 126 Ų | 126 | 100.3 Ų | 100.3 | 62% | 0.621 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.4 | -36.6 | 176 | -77.6 | -170.6 | -177.9 | 0 | 0 | 112.9 | M9 I11 K17 | M9-M13 PolarHBondContact O-N 2.94Å; I11-M13 PolarHBondContact O-N 3.31Å; M13-K17 PolarHBondContact O-N 3.14Å |
| 14 | G | 51.7 | Low | 50.6 | Low | 37 Ų | 37 | 97.9 Ų | 97.9 | 38% | 0.381 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A10 I11 I12 K17 L18 | A10-G14 PolarHBondContact O-N 2.89Å; I11-G14 PolarHBondContact O-N 3.37Å; I12-G14 VanDerWaalsContact C-N 3.35Å; I12-G14 PolarHBondContact O-N 3.21Å; G14-K17 PolarHBondContact O-N 2.96Å; G14-L18 PolarHBondContact O-N 3.2Å |
| 15 | V | 54.2 | Low | 50.1 | Low | 43 Ų | 43 | 96.4 Ų | 96.4 | 26% | 0.261 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 176.8 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | I11 I12 K17 L18 S19 Y68 | I11-V15 HydrophobicContact CG2-CG2 4.39Å; I11-V15 VanDerWaalsContact O-CG2 3.29Å; I11-V15 WeakPolarHBondContact O-CG2 3.42Å; I11-V15 PolarHBondContact O-N 3.23Å; I12-V15 PolarHBondContact O-N 2.92Å; V15-K17 VanDerWaalsContact C-N 3.34Å; V15-K17 PolarHBondContact O-N 3.06Å; V15-L18 PolarHBondContact O-N 3.18Å; V15-S19 PolarHBondContact O-N 3.29Å; V15-S19 PolarHBondContact O-OG 3.18Å; V15-Y68 HydrophobicContact CG1-CE1 4.43Å |
| 16 | L | 51.9 | Low | 49.5 | Very low | 104 Ų | 104 | 96.2 Ų | 96.2 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 177.2 | -73.6 | 167.5 | 0 | 0 | 0 | 112.8 | I12 S19 Q20 | I12-L16 HydrophobicContact CG2-CD1 3.95Å; I12-L16 WeakPolarHBondContact O-CB 3.42Å; I12-L16 VanDerWaalsContact O-CG 3.28Å; I12-L16 WeakPolarHBondContact O-CG 3.32Å; I12-L16 PolarHBondContact O-N 3.19Å; L16-S19 PolarHBondContact O-N 2.97Å; L16-Q20 WeakPolarHBondContact O-CG 3.38Å; L16-Q20 PolarHBondContact O-N 3.44Å; L16-Q20 VanDerWaalsContact O-N 3.11Å |
| 17 | K | 53.4 | Low | 48.8 | Very low | 146 Ų | 146 | 98.3 Ų | 98.3 | 64% | 0.635 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.4 | -38.9 | 175 | -81.9 | -155.2 | 174.7 | -168.6 | 0 | 112.3 | M13 G14 V15 Q20 I21 | M13-K17 PolarHBondContact O-N 3.14Å; G14-K17 PolarHBondContact O-N 2.96Å; V15-K17 VanDerWaalsContact C-N 3.34Å; V15-K17 PolarHBondContact O-N 3.06Å; K17-Q20 PolarHBondContact O-N 2.93Å; K17-I21 WeakPolarHBondContact O-CD1 3.47Å; K17-I21 VanDerWaalsContact O-CG1 3.26Å; K17-I21 WeakPolarHBondContact O-CG1 3.34Å; K17-I21 PolarHBondContact O-N 2.03Å; K17-I21 VanDerWaalsContact O-N 3.1Å |
| 18 | L | 49.9 | Very low | 48.3 | Very low | 108 Ų | 108 | 95.1 Ų | 95.1 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.5 | -46.4 | 173.4 | -114.1 | 77.5 | 0 | 0 | 0 | 110.4 | G14 V15 Q20 I21 L22 | G14-L18 PolarHBondContact O-N 3.2Å; V15-L18 PolarHBondContact O-N 3.18Å; L18-Q20 VanDerWaalsContact C-N 3.27Å; L18-Q20 PolarHBondContact O-N 3.45Å; L18-I21 PolarHBondContact O-N 3.33Å; L18-I21 VanDerWaalsContact O-N 3.1Å; L18-L22 HydrophobicContact CB-CD1 4.23Å; L18-L22 HydrophobicContact CD2-CD1 4.47Å; L18-L22 HydrophobicContact CG-CD1 4.41Å; L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 VanDerWaalsContact O-CD1 3.29Å; L18-L22 WeakPolarHBondContact O-CD1 3.27Å; L18-L22 PolarHBondContact O-N 3Å |
| 19 | S | 50.4 | Low | 48.1 | Very low | 39 Ų | 39 | 96.8 Ų | 96.8 | 27% | 0.273 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.8 | -38.4 | 178.3 | -54.5 | 0 | 0 | 0 | 0 | 112.7 | V15 L16 S23 | V15-S19 PolarHBondContact O-N 3.29Å; V15-S19 PolarHBondContact O-OG 3.18Å; L16-S19 PolarHBondContact O-N 2.97Å; S19-S23 WeakPolarHBondContact O-CB 3.29Å; S19-S23 PolarHBondContact O-N 3.37Å; S19-S23 PolarHBondContact O-OG 2.78Å |
| 20 | Q | 47.5 | Very low | 47.9 | Very low | 141 Ų | 141 | 98.1 Ų | 98.1 | 66% | 0.659 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69 | -39.3 | 175.8 | -73.5 | -178.2 | -35.1 | 0 | 0 | 113 | L16 K17 L18 S24 | L16-Q20 WeakPolarHBondContact O-CG 3.38Å; L16-Q20 PolarHBondContact O-N 3.44Å; L16-Q20 VanDerWaalsContact O-N 3.11Å; K17-Q20 PolarHBondContact O-N 2.93Å; L18-Q20 VanDerWaalsContact C-N 3.27Å; L18-Q20 PolarHBondContact O-N 3.45Å; Q20-S24 WeakPolarHBondContact O-CB 3.32Å; Q20-S24 PolarHBondContact O-N 3Å |
| 21 | I | 48 | Very low | 47.6 | Very low | 97 Ų | 97 | 101.5 Ų | 101.5 | 50% | 0.497 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.9 | -43 | 176.5 | -65.7 | 162.1 | 0 | 0 | 0 | 109.9 | K17 L18 S24 I25 | K17-I21 WeakPolarHBondContact O-CD1 3.47Å; K17-I21 VanDerWaalsContact O-CG1 3.26Å; K17-I21 WeakPolarHBondContact O-CG1 3.34Å; K17-I21 PolarHBondContact O-N 2.03Å; K17-I21 VanDerWaalsContact O-N 3.1Å; L18-I21 PolarHBondContact O-N 3.33Å; L18-I21 VanDerWaalsContact O-N 3.1Å; I21-S24 PolarHBondContact O-N 3.42Å; I21-I25 HydrophobicContact CG2-CD1 3.71Å; I21-I25 WeakPolarHBondContact O-CD1 2.89Å; I21-I25 VanDerWaalsContact O-CG1 3.27Å; I21-I25 WeakPolarHBondContact O-CG1 3.08Å; I21-I25 PolarHBondContact O-N 3.49Å |
| 22 | L | 47.6 | Very low | 47.2 | Very low | 55 Ų | 55 | 103.4 Ų | 103.4 | 29% | 0.288 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65 | -42.6 | 176.8 | -83.2 | 140.5 | 0 | 0 | 0 | 112 | L18 S24 I25 C26 | L18-L22 HydrophobicContact CB-CD1 4.23Å; L18-L22 HydrophobicContact CD2-CD1 4.47Å; L18-L22 HydrophobicContact CG-CD1 4.41Å; L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 VanDerWaalsContact O-CD1 3.29Å; L18-L22 WeakPolarHBondContact O-CD1 3.27Å; L18-L22 PolarHBondContact O-N 3Å; L22-S24 VanDerWaalsContact C-N 3.27Å; L22-S24 PolarHBondContact O-N 2.98Å; L22-I25 PolarHBondContact O-N 3.41Å; L22-C26 WeakPolarHBondContact O-CB 3.27Å; L22-C26 PolarHBondContact O-N 3.02Å |
| 23 | S | 41.9 | Very low | 46.9 | Very low | 59 Ų | 59 | 106.4 Ų | 106.4 | 41% | 0.413 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.3 | -32.1 | 172.4 | -74.2 | 0 | 0 | 0 | 0 | 112.9 | S19 | S19-S23 WeakPolarHBondContact O-CB 3.29Å; S19-S23 PolarHBondContact O-N 3.37Å; S19-S23 PolarHBondContact O-OG 2.78Å |
| 24 | S | 42.8 | Very low | 46.2 | Very low | 78 Ų | 78 | 108.5 Ų | 108.5 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -74.7 | -29.1 | 176.3 | -169.8 | 0 | 0 | 0 | 0 | 112.9 | Q20 I21 L22 | Q20-S24 WeakPolarHBondContact O-CB 3.32Å; Q20-S24 PolarHBondContact O-N 3Å; I21-S24 PolarHBondContact O-N 3.42Å; L22-S24 VanDerWaalsContact C-N 3.27Å; L22-S24 PolarHBondContact O-N 2.98Å |
| 25 | I | 43.5 | Very low | 45.6 | Very low | 115 Ų | 115 | 109.1 Ų | 109.1 | 59% | 0.59 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -81.5 | -34.3 | 177.7 | -64.9 | 163 | 0 | 0 | 0 | 110.4 | I21 L22 Q27 | I21-I25 HydrophobicContact CG2-CD1 3.71Å; I21-I25 WeakPolarHBondContact O-CD1 2.89Å; I21-I25 VanDerWaalsContact O-CG1 3.27Å; I21-I25 WeakPolarHBondContact O-CG1 3.08Å; I21-I25 PolarHBondContact O-N 3.49Å; L22-I25 PolarHBondContact O-N 3.41Å; I25-Q27 PolarHBondContact O-N 3.38Å |
| 26 | C | 41.3 | Very low | 44.8 | Very low | 91 Ų | 91 | 117 Ų | 117 | 62% | 0.615 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -3.4 | 176.7 | -98.6 | 0 | 0 | 0 | 0 | 115.2 | L22 | L22-C26 WeakPolarHBondContact O-CB 3.27Å; L22-C26 PolarHBondContact O-N 3.02Å |
| 27 | Q | 38.3 | Very low | 44.4 | Very low | 172 Ų | 172 | 120.9 Ų | 120.9 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 16.2 | 177.8 | -79.8 | -169.9 | -34.8 | 0 | 0 | 113.3 | I25 | I25-Q27 PolarHBondContact O-N 3.38Š|
| 28 | S | 37.3 | Very low | 43.9 | Very low | 92 Ų | 92 | 120 Ų | 120 | 64% | 0.643 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -121.7 | 14.8 | -174.1 | -59.3 | 0 | 0 | 0 | 0 | 115.9 | ||
| 29 | D | 44.2 | Very low | 43.6 | Very low | 142 Ų | 142 | 118.1 Ų | 118.1 | 76% | 0.759 | 65% | 0.647 | S | S | * | * | trans | -129.4 | 49.1 | 178.6 | -95.2 | -85.4 | 0 | 0 | 0 | 111.8 | ||||
| 30 | D | 44.3 | Very low | 43.5 | Very low | 153 Ų | 153 | 122.8 Ų | 122.8 | 82% | 0.818 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -96.8 | 122.3 | 157.9 | -130.5 | -77.2 | 0 | 0 | 0 | 105.4 | ||
| 31 | D | 46.6 | Very low | 43.5 | Very low | 137 Ų | 137 | 118.9 Ų | 118.9 | 73% | 0.733 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 85.2 | 121.2 | -176.1 | -66.1 | -68.3 | 0 | 0 | 0 | 117 | ||
| 32 | D | 45.1 | Very low | 43.5 | Very low | 148 Ų | 148 | 114.6 Ų | 114.6 | 79% | 0.791 | 63% | 0.629 | S | S | * | * | trans | 76.9 | 98.1 | 167.2 | -66.7 | -65.3 | 0 | 0 | 0 | 117.6 | ||||
| 33 | D | 48.2 | Very low | 43.6 | Very low | 151 Ų | 151 | 116.3 Ų | 116.3 | 81% | 0.807 | 64% | 0.638 | S | S | * | * | 167.9 | 138.6 | 104.7 | -162.8 | 47 | 0 | 0 | 0 | 112.5 | G35 | D33-G35 PolarHBondContact O-N 2.95Š| |||
| 34 | D | 43.1 | Very low | 43.8 | Very low | 170 Ų | 170 | 118.3 Ų | 118.3 | 91% | 0.909 | 64% | 0.643 | S | S | * | * | trans | -62.3 | 83.4 | 175.7 | -113.3 | -77.7 | 0 | 0 | 0 | 111.1 | ||||
| 35 | G | 39.2 | Very low | 44 | Very low | 50 Ų | 50 | 121.6 Ų | 121.6 | 52% | 0.515 | 65% | 0.648 | S | S | . | * | trans | -164.4 | 72.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | D33 E37 | D33-G35 PolarHBondContact O-N 2.95Å; G35-E37 PolarHBondContact O-N 3.25Å | ||
| 36 | K | 36.1 | Very low | 44.1 | Very low | 209 Ų | 209 | 122.5 Ų | 122.5 | 91% | 0.909 | 65% | 0.654 | S | S | * | * | trans | 17 | 68.9 | 147.8 | -63.5 | 178.6 | 178.8 | 170.4 | 0 | 117 | ||||
| 37 | E | 42.8 | Very low | 44.2 | Very low | 186 Ų | 186 | 127 Ų | 127 | 87% | 0.869 | 67% | 0.665 | S | S | * | * | trans | -106.1 | 119.3 | 163.4 | -82.3 | -162.7 | 119.4 | 0 | 0 | 109.9 | G35 A39 | G35-E37 PolarHBondContact O-N 3.25Å; E37-A39 PolarHBondContact O-N 3.25Å | ||
| 38 | H | 42.9 | Very low | 44.3 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 59% | 0.593 | 66% | 0.657 | S | S | * | * | trans | -67.2 | 93.2 | 179.3 | -79.2 | -104.8 | 0 | 0 | 0 | 110 | E40 S55 | H38-E40 PolarHBondContact O-N 3.05Å; H38-E40 VanDerWaalsContact O-N 3.11Å; H38-S55 WeakPolarHBondContact CE1-CB 3.4Å; H38-S55 PolarHBondContact CE1-OG 3.27Å; H38-S55 VanDerWaalsContact CE1-OG 3.27Å | ||
| 39 | A | 43.6 | Very low | 45 | Very low | 68 Ų | 68 | 123 Ų | 123 | 56% | 0.562 | 63% | 0.634 | S | S | * | * | trans | -74.5 | 97.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.3 | E37 T41 F54 | E37-A39 PolarHBondContact O-N 3.25Å; A39-T41 PolarHBondContact O-N 2.89Å; A39-F54 VanDerWaalsContact O-CD2 3.26Å; A39-F54 WeakPolarHBondContact O-CD2 3.17Å; A39-F54 WeakPolarHBondContact O-CE2 3.49Å | ||
| 40 | E | 49.2 | Very low | 45.2 | Very low | 136 Ų | 136 | 117.5 Ų | 117.5 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | trans | -71.8 | 106.6 | 167.4 | -64.9 | -175.6 | 150.7 | 0 | 0 | 109.3 | H38 | H38-E40 PolarHBondContact O-N 3.05Å; H38-E40 VanDerWaalsContact O-N 3.11Å | ||
| 41 | T | 47.9 | Very low | 45.4 | Very low | 60 Ų | 60 | 112.7 Ų | 112.7 | 37% | 0.368 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.6 | 124.1 | 174 | -44.8 | 0 | 0 | 0 | 0 | 110 | A39 L43 | A39-T41 PolarHBondContact O-N 2.89Å; T41-L43 HydrophobicContact CG2-CD2 4.31Å; T41-L43 HydrophobicContact CG2-CG 4.22Å |
| 42 | C | 48.4 | Very low | 45.5 | Very low | 7 Ų | 7 | 110.7 Ų | 110.7 | 5% | 0.047 | 56% | 0.561 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.5 | 122.2 | 168.6 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | C69 | C42-C69 HydrophobicContact CB-CB 4.45Å; C42-C69 WeakPolarHBondContact CB-SG 3.44Å; C42-C69 WeakPolarHBondContact SG-CB 3.48Å; C42-C69 CovalentContact SG-SG 2.03Å; C42-C69 PolarHBondContact SG-SG 2.98Å |
| 43 | L | 50 | Low | 45.7 | Very low | 91 Ų | 91 | 106.4 Ų | 106.4 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 124.2 | 177 | -68.1 | 162.3 | 0 | 0 | 0 | 109.7 | T41 V50 | T41-L43 HydrophobicContact CG2-CD2 4.31Å; T41-L43 HydrophobicContact CG2-CG 4.22Å; L43-V50 HydrophobicContact CB-CB 4.5Å; L43-V50 PolarHBondContact N-O 3.42Å; L43-V50 PolarHBondContact O-N 3.03Å |
| 44 | I | 46 | Very low | 45.8 | Very low | 101 Ų | 101 | 105 Ų | 105 | 52% | 0.518 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 115 | 172 | -57.8 | 176.4 | 0 | 0 | 0 | 108.3 | F49 C69 | I44-F49 HydrophobicContact CD1-CE1 4.02Å; I44-F49 HydrophobicContact CG1-CD1 4.12Å; I44-F49 HydrophobicContact CG1-CE1 3.79Å; I44-C69 HydrophobicContact CD1-CB 4.35Å |
| 45 | K | 45.9 | Very low | 46.1 | Very low | 147 Ų | 147 | 101 Ų | 101 | 64% | 0.639 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 122.3 | 174.2 | -168.5 | 174.4 | -177.2 | 175.6 | 0 | 110.1 | H47 K48 | K45-H47 VanDerWaalsContact C-N 3.34Å; K45-H47 PolarHBondContact O-N 2.89Å; K45-K48 PolarHBondContact N-O 3.4Å; K45-K48 WeakPolarHBondContact O-CA 3.28Å; K45-K48 WeakPolarHBondContact O-CB 3.25Å; K45-K48 PolarHBondContact O-N 3.39Å |
| 46 | N | 46.1 | Very low | 46.4 | Very low | 134 Ų | 134 | 100.4 Ų | 100.4 | 72% | 0.717 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 42.1 | 179.2 | -60.9 | -25.3 | 0 | 0 | 0 | 114.3 | K48 | N46-K48 PolarHBondContact O-N 3.19Š|
| 47 | H | 43.5 | Very low | 46.7 | Very low | 186 Ų | 186 | 99 Ų | 99 | 86% | 0.861 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 22.2 | -172.6 | -51 | 93.7 | 0 | 0 | 0 | 114.2 | K45 | K45-H47 VanDerWaalsContact C-N 3.34Å; K45-H47 PolarHBondContact O-N 2.89Å |
| 48 | K | 40.3 | Very low | 46.6 | Very low | 145 Ų | 145 | 95.6 Ų | 95.6 | 63% | 0.63 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 136.8 | 173.8 | -61.2 | -178 | 178.3 | -175.2 | 0 | 109.3 | K45 N46 | K45-K48 PolarHBondContact N-O 3.4Å; K45-K48 WeakPolarHBondContact O-CA 3.28Å; K45-K48 WeakPolarHBondContact O-CB 3.25Å; K45-K48 PolarHBondContact O-N 3.39Å; N46-K48 PolarHBondContact O-N 3.19Å |
| 49 | F | 50.7 | Low | 46.7 | Very low | 34 Ų | 34 | 93.9 Ų | 93.9 | 15% | 0.149 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 131.7 | 174.4 | -62.8 | -85.5 | 0 | 0 | 0 | 109.1 | I44 C66 C69 | I44-F49 HydrophobicContact CD1-CE1 4.02Å; I44-F49 HydrophobicContact CG1-CD1 4.12Å; I44-F49 HydrophobicContact CG1-CE1 3.79Å; F49-C66 HydrophobicContact CD1-CB 4.02Å; F49-C66 HydrophobicContact CD2-CB 3.55Å; F49-C66 HydrophobicContact CE1-CB 3.88Å; F49-C66 HydrophobicContact CE2-CB 3.41Å; F49-C66 VanDerWaalsContact CE2-CB 3.41Å; F49-C66 WeakPolarHBondContact CE2-O 3.29Å; F49-C66 HydrophobicContact CG-CB 3.86Å; F49-C66 HydrophobicContact CZ-CB 3.57Å; F49-C66 VanDerWaalsContact CZ-O 3.32Å; F49-C66 WeakPolarHBondContact CZ-O 3.39Å; F49-C69 HydrophobicContact CD1-CB 3.74Å; F49-C69 HydrophobicContact CE1-CB 3.35Å; F49-C69 HydrophobicContact CZ-CB 4.49Å |
| 50 | V | 48.5 | Very low | 46.7 | Very low | 26 Ų | 26 | 95.9 Ų | 95.9 | 16% | 0.158 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 115.2 | 172.7 | -174.7 | 0 | 0 | 0 | 0 | 107.4 | L43 I59 Y61 | L43-V50 HydrophobicContact CB-CB 4.5Å; L43-V50 PolarHBondContact N-O 3.42Å; L43-V50 PolarHBondContact O-N 3.03Å; V50-I59 HydrophobicContact CG1-CG2 3.88Å; V50-Y61 HydrophobicContact CG1-CE1 4.36Å; V50-Y61 HydrophobicContact CG2-CD1 4.37Å; V50-Y61 HydrophobicContact CG2-CE1 4.05Å |
| 51 | Y | 49.5 | Very low | 46.5 | Very low | 52 Ų | 52 | 97.5 Ų | 97.5 | 20% | 0.204 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 123.8 | 167.2 | -73.1 | -87.1 | 0 | 0 | 0 | 108.1 | F62 C76 | Y51-F62 HydrophobicContact CD2-CD2 4.33Å; Y51-C76 VanDerWaalsContact OH-CB 3.27Å; Y51-C76 WeakPolarHBondContact OH-CB 3.49Å |
| 52 | K | 48.7 | Very low | 46.6 | Very low | 96 Ų | 96 | 99.9 Ų | 99.9 | 42% | 0.417 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 96 | 169 | -167.1 | 173.2 | 175.7 | -170.5 | 0 | 108.2 | F54 | K52-F54 HydrophobicContact CB-CE2 4.13Å; K52-F54 HydrophobicContact CB-CZ 4.45Å; K52-F54 HydrophobicContact CD-CE1 3.82Å; K52-F54 HydrophobicContact CD-CE2 4.07Å; K52-F54 HydrophobicContact CD-CZ 3.55Å; K52-F54 VanDerWaalsContact CE-CE1 3.46Å; K52-F54 HydrophobicContact CG-CD2 4.33Å; K52-F54 HydrophobicContact CG-CE1 4.28Å; K52-F54 HydrophobicContact CG-CE2 3.99Å; K52-F54 HydrophobicContact CG-CZ 3.98Å; K52-F54 VanDerWaalsContact O-CD2 3.25Å; K52-F54 WeakPolarHBondContact O-CD2 3.16Å; K52-F54 PolarHBondContact O-N 3.07Å |
| 53 | D | 50.1 | Low | 46.5 | Very low | 57 Ų | 57 | 109.3 Ų | 109.3 | 31% | 0.305 | 53% | 0.527 | S | S | . | . | trans | -72.4 | 113.8 | 168.1 | -177.8 | -44 | 0 | 0 | 0 | 107.2 | S55 S56 | D53-S55 VanDerWaalsContact C-N 3.29Å; D53-S55 WeakPolarHBondContact OD1-CA 3.02Å; D53-S55 WeakPolarHBondContact OD1-CB 3.21Å; D53-S55 PolarHBondContact OD1-N 3.11Å; D53-S56 PolarHBondContact OD1-N 2.96Å; D53-S56 PolarHBondContact OD1-OG 2.78Å; D53-S56 PolarHBondContact OD2-OG 3.11Å | ||
| 54 | F | 49 | Very low | 46.6 | Very low | 122 Ų | 122 | 108.8 Ų | 108.8 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -85 | -4.2 | 177.6 | -69.7 | -92 | 0 | 0 | 0 | 112.8 | A39 K52 | A39-F54 VanDerWaalsContact O-CD2 3.26Å; A39-F54 WeakPolarHBondContact O-CD2 3.17Å; A39-F54 WeakPolarHBondContact O-CE2 3.49Å; K52-F54 HydrophobicContact CB-CE2 4.13Å; K52-F54 HydrophobicContact CB-CZ 4.45Å; K52-F54 HydrophobicContact CD-CE1 3.82Å; K52-F54 HydrophobicContact CD-CE2 4.07Å; K52-F54 HydrophobicContact CD-CZ 3.55Å; K52-F54 VanDerWaalsContact CE-CE1 3.46Å; K52-F54 HydrophobicContact CG-CD2 4.33Å; K52-F54 HydrophobicContact CG-CE1 4.28Å; K52-F54 HydrophobicContact CG-CE2 3.99Å; K52-F54 HydrophobicContact CG-CZ 3.98Å; K52-F54 VanDerWaalsContact O-CD2 3.25Å; K52-F54 WeakPolarHBondContact O-CD2 3.16Å; K52-F54 PolarHBondContact O-N 3.07Å |
| 55 | S | 49.6 | Very low | 46.8 | Very low | 87 Ų | 87 | 112.1 Ų | 112.1 | 61% | 0.608 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -80.4 | -20.3 | 172.7 | -154.8 | 0 | 0 | 0 | 0 | 112.1 | H38 D53 | H38-S55 WeakPolarHBondContact CE1-CB 3.4Å; H38-S55 PolarHBondContact CE1-OG 3.27Å; H38-S55 VanDerWaalsContact CE1-OG 3.27Å; D53-S55 VanDerWaalsContact C-N 3.29Å; D53-S55 WeakPolarHBondContact OD1-CA 3.02Å; D53-S55 WeakPolarHBondContact OD1-CB 3.21Å; D53-S55 PolarHBondContact OD1-N 3.11Å |
| 56 | S | 45.1 | Very low | 47 | Very low | 36 Ų | 36 | 105.7 Ų | 105.7 | 25% | 0.252 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -133.5 | 132.7 | -178.8 | 50.4 | 0 | 0 | 0 | 0 | 110.9 | D53 N58 | D53-S56 PolarHBondContact OD1-N 2.96Å; D53-S56 PolarHBondContact OD1-OG 2.78Å; D53-S56 PolarHBondContact OD2-OG 3.11Å; S56-N58 PolarHBondContact O-N 2.84Å |
| 57 | I | 43.3 | Very low | 47.3 | Very low | 180 Ų | 180 | 104.4 Ų | 104.4 | 92% | 0.923 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -63.5 | 4.5 | 177.8 | -59.3 | 167.9 | 0 | 0 | 0 | 112 | ||
| 58 | N | 40.2 | Very low | 47.5 | Very low | 114 Ų | 114 | 101.1 Ų | 101.1 | 61% | 0.61 | 49% | 0.487 | S | S | * | . | trans | -101.3 | 111.2 | -177.7 | -75.6 | -58.2 | 0 | 0 | 0 | 111.3 | S56 K60 | S56-N58 PolarHBondContact O-N 2.84Å; N58-K60 PolarHBondContact O-N 3.1Å | ||
| 59 | I | 45.4 | Very low | 47.9 | Very low | 92 Ų | 92 | 94.5 Ų | 94.5 | 47% | 0.472 | 46% | 0.459 | S | S | . | . | trans | -65.5 | 112.6 | 164.1 | -59.1 | 172.1 | 0 | 0 | 0 | 107.7 | V50 Y61 | V50-I59 HydrophobicContact CG1-CG2 3.88Å; I59-Y61 HydrophobicContact CB-CE2 4.44Å; I59-Y61 HydrophobicContact CG2-CD2 4.26Å; I59-Y61 HydrophobicContact CG2-CE1 4.27Å; I59-Y61 HydrophobicContact CG2-CE2 3.75Å | ||
| 60 | K | 43.4 | Very low | 48.3 | Very low | 111 Ų | 111 | 93.8 Ų | 93.8 | 48% | 0.483 | 46% | 0.458 | S | S | . | . | B | Isolated β-bridge | trans | -94.6 | 115.4 | 173.3 | -69.4 | -176.7 | -176.5 | 169.9 | 0 | 109.5 | N58 F62 | N58-K60 PolarHBondContact O-N 3.1Å; K60-F62 HydrophobicContact CB-CD2 4.07Å; K60-F62 HydrophobicContact CB-CE2 3.58Å; K60-F62 HydrophobicContact CB-CZ 4.32Å; K60-F62 HydrophobicContact CD-CE2 3.97Å; K60-F62 HydrophobicContact CD-CZ 4.05Å; K60-F62 HydrophobicContact CG-CE2 4.42Å; K60-F62 PolarHBondContact O-N 3.1Å |
| 61 | Y | 45.4 | Very low | 48.3 | Very low | 170 Ų | 170 | 100.1 Ų | 100.1 | 67% | 0.667 | 49% | 0.486 | S | S | * | . | trans | -84 | 107.2 | 169.8 | -63.8 | -84.9 | 0 | 0 | 0 | 108.4 | V50 I59 | V50-Y61 HydrophobicContact CG1-CE1 4.36Å; V50-Y61 HydrophobicContact CG2-CD1 4.37Å; V50-Y61 HydrophobicContact CG2-CE1 4.05Å; I59-Y61 HydrophobicContact CB-CE2 4.44Å; I59-Y61 HydrophobicContact CG2-CD2 4.26Å; I59-Y61 HydrophobicContact CG2-CE1 4.27Å; I59-Y61 HydrophobicContact CG2-CE2 3.75Å | ||
| 62 | F | 49.6 | Very low | 48.1 | Very low | 110 Ų | 110 | 104 Ų | 104 | 48% | 0.482 | 51% | 0.505 | S | S | . | . | trans | -92 | 115.5 | 168.7 | -72.7 | -84 | 0 | 0 | 0 | 108.6 | Y51 K60 T64 | Y51-F62 HydrophobicContact CD2-CD2 4.33Å; K60-F62 HydrophobicContact CB-CD2 4.07Å; K60-F62 HydrophobicContact CB-CE2 3.58Å; K60-F62 HydrophobicContact CB-CZ 4.32Å; K60-F62 HydrophobicContact CD-CE2 3.97Å; K60-F62 HydrophobicContact CD-CZ 4.05Å; K60-F62 HydrophobicContact CG-CE2 4.42Å; K60-F62 PolarHBondContact O-N 3.1Å; F62-T64 PolarHBondContact O-N 3.29Å; F62-T64 VanDerWaalsContact O-N 3.14Å | ||
| 63 | Q | 46.6 | Very low | 48.1 | Very low | 205 Ų | 205 | 101.3 Ų | 101.3 | 96% | 0.958 | 50% | 0.499 | S | S | * | . | trans | -86.5 | 64.8 | 171.9 | -162.5 | 175.7 | 22.9 | 0 | 0 | 108.4 | ||||
| 64 | T | 51.7 | Low | 48.2 | Very low | 79 Ų | 79 | 99.3 Ų | 99.3 | 49% | 0.485 | 49% | 0.491 | S | S | . | . | trans | -116.4 | 132.8 | 174.6 | -26.8 | 0 | 0 | 0 | 0 | 107.4 | F62 C66 Y78 | F62-T64 PolarHBondContact O-N 3.29Å; F62-T64 VanDerWaalsContact O-N 3.14Å; T64-C66 VanDerWaalsContact C-N 3.3Å; T64-C66 PolarHBondContact O-N 3.39Å; T64-Y78 HydrophobicContact CG2-CE1 4.19Å | ||
| 65 | E | 50.9 | Low | 48.1 | Very low | 172 Ų | 172 | 98.8 Ų | 98.8 | 80% | 0.804 | 49% | 0.494 | S | S | * | . | trans | -67.6 | 87.4 | -176.7 | -65.3 | 178.8 | 128.7 | 0 | 0 | 109.8 | L67 | E65-L67 PolarHBondContact O-N 3.03Š| ||
| 66 | C | 50.1 | Low | 48.3 | Very low | 12 Ų | 12 | 95.4 Ų | 95.4 | 8% | 0.081 | 47% | 0.47 | C | S | . | . | trans | -75.7 | 117.4 | 168 | -165.2 | 0 | 0 | 0 | 0 | 107.9 | F49 T64 Y68 C76 | F49-C66 HydrophobicContact CD1-CB 4.02Å; F49-C66 HydrophobicContact CD2-CB 3.55Å; F49-C66 HydrophobicContact CE1-CB 3.88Å; F49-C66 HydrophobicContact CE2-CB 3.41Å; F49-C66 VanDerWaalsContact CE2-CB 3.41Å; F49-C66 WeakPolarHBondContact CE2-O 3.29Å; F49-C66 HydrophobicContact CG-CB 3.86Å; F49-C66 HydrophobicContact CZ-CB 3.57Å; F49-C66 VanDerWaalsContact CZ-O 3.32Å; F49-C66 WeakPolarHBondContact CZ-O 3.39Å; T64-C66 VanDerWaalsContact C-N 3.3Å; T64-C66 PolarHBondContact O-N 3.39Å; C66-Y68 VanDerWaalsContact C-N 3.28Å; C66-Y68 PolarHBondContact SG-O 3.27Å; C66-C76 WeakPolarHBondContact CA-SG 3.43Å; C66-C76 HydrophobicContact CB-CB 4.3Å; C66-C76 WeakPolarHBondContact CB-SG 3.26Å; C66-C76 WeakPolarHBondContact SG-CA 3.41Å; C66-C76 WeakPolarHBondContact SG-CB 3.26Å; C66-C76 CovalentContact SG-SG 2.02Å; C66-C76 PolarHBondContact SG-SG 2.9Å | ||
| 67 | L | 51.6 | Low | 48.7 | Very low | 107 Ų | 107 | 97.1 Ų | 97.1 | 56% | 0.56 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -67.5 | -36.6 | 178.1 | -125.3 | 85.3 | 0 | 0 | 0 | 110.8 | E65 I77 E79 | E65-L67 PolarHBondContact O-N 3.03Å; L67-I77 WeakPolarHBondContact CB-O 3.27Å; L67-I77 PolarHBondContact N-O 2.96Å; L67-E79 HydrophobicContact CD1-CB 4.04Å; L67-E79 HydrophobicContact CD1-CG 3.6Å; L67-E79 HydrophobicContact CD2-CG 4.18Å |
| 68 | Y | 47.6 | Very low | 49.4 | Very low | 116 Ų | 116 | 94.8 Ų | 94.8 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 127.6 | -176 | -172.8 | -104.3 | 0 | 0 | 0 | 110 | V15 C66 V70 I77 | V15-Y68 HydrophobicContact CG1-CE1 4.43Å; C66-Y68 VanDerWaalsContact C-N 3.28Å; C66-Y68 PolarHBondContact SG-O 3.27Å; Y68-V70 HydrophobicContact CD1-CG2 3.94Å; Y68-V70 HydrophobicContact CE1-CB 4.46Å; Y68-V70 HydrophobicContact CE1-CG2 3.62Å; Y68-I77 HydrophobicContact CD1-CD1 3.98Å; Y68-I77 PolarHBondContact O-N 3.27Å |
| 69 | C | 49.9 | Very low | 49.8 | Very low | 6 Ų | 6 | 100.2 Ų | 100.2 | 4% | 0.041 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.2 | 167.3 | -170.2 | 0 | 0 | 0 | 0 | 109.5 | C42 I44 F49 E71 | C42-C69 HydrophobicContact CB-CB 4.45Å; C42-C69 WeakPolarHBondContact CB-SG 3.44Å; C42-C69 WeakPolarHBondContact SG-CB 3.48Å; C42-C69 CovalentContact SG-SG 2.03Å; C42-C69 PolarHBondContact SG-SG 2.98Å; I44-C69 HydrophobicContact CD1-CB 4.35Å; F49-C69 HydrophobicContact CD1-CB 3.74Å; F49-C69 HydrophobicContact CE1-CB 3.35Å; F49-C69 HydrophobicContact CZ-CB 4.49Å; C69-E71 PolarHBondContact O-N 2.93Å |
| 70 | V | 58.1 | Low | 50.1 | Low | 20 Ų | 20 | 100.6 Ų | 100.6 | 12% | 0.121 | 48% | 0.478 | C | S | . | . | trans | -79.4 | 109.3 | 173.7 | -179.7 | 0 | 0 | 0 | 0 | 107.4 | Y68 H72 S73 G74 L75 | Y68-V70 HydrophobicContact CD1-CG2 3.94Å; Y68-V70 HydrophobicContact CE1-CB 4.46Å; Y68-V70 HydrophobicContact CE1-CG2 3.62Å; V70-H72 PolarHBondContact O-N 3.24Å; V70-S73 WeakPolarHBondContact CB-OG 3.47Å; V70-S73 WeakPolarHBondContact CG1-OG 3.43Å; V70-S73 PolarHBondContact O-N 3.38Å; V70-G74 PolarHBondContact O-N 3Å; V70-L75 PolarHBondContact N-O 2.84Å; V70-L75 VanDerWaalsContact N-O 3.14Å | ||
| 71 | E | 48.7 | Very low | 50.4 | Low | 158 Ų | 158 | 100.1 Ų | 100.1 | 74% | 0.738 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -17.7 | -172.6 | -157.4 | 170.5 | 157.8 | 0 | 0 | 114.2 | C69 | C69-E71 PolarHBondContact O-N 2.93Š|
| 72 | H | 44.8 | Very low | 50.7 | Low | 133 Ų | 133 | 96.2 Ų | 96.2 | 62% | 0.616 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | -9.1 | -178.3 | -73.6 | -82.8 | 0 | 0 | 0 | 116 | V70 | V70-H72 PolarHBondContact O-N 3.24Š|
| 73 | S | 49.3 | Very low | 50.8 | Low | 41 Ų | 41 | 95.4 Ų | 95.4 | 29% | 0.287 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | -2.4 | -177.8 | 62.4 | 0 | 0 | 0 | 0 | 114.5 | V70 L75 | V70-S73 WeakPolarHBondContact CB-OG 3.47Å; V70-S73 WeakPolarHBondContact CG1-OG 3.43Å; V70-S73 PolarHBondContact O-N 3.38Å; S73-L75 PolarHBondContact O-N 3.2Å; S73-L75 WeakPolarHBondContact OG-CB 3.49Å |
| 74 | G | 51.8 | Low | 51 | Low | 14 Ų | 14 | 88.5 Ų | 88.5 | 14% | 0.144 | 44% | 0.436 | C | S | . | . | trans | 63.6 | 3.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | V70 C76 | V70-G74 PolarHBondContact O-N 3Å; G74-C76 PolarHBondContact O-N 2.92Å | ||
| 75 | L | 47.8 | Very low | 51 | Low | 111 Ų | 111 | 89.1 Ų | 89.1 | 58% | 0.581 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -79 | 122.1 | -175.1 | -128.3 | 117 | 0 | 0 | 0 | 109.4 | V70 S73 | V70-L75 PolarHBondContact N-O 2.84Å; V70-L75 VanDerWaalsContact N-O 3.14Å; S73-L75 PolarHBondContact O-N 3.2Å; S73-L75 WeakPolarHBondContact OG-CB 3.49Å |
| 76 | C | 52.1 | Low | 51 | Low | 17 Ų | 17 | 83.2 Ų | 83.2 | 12% | 0.115 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 126.5 | 174.3 | 177.7 | 0 | 0 | 0 | 0 | 109.9 | Y51 C66 G74 Y78 | Y51-C76 VanDerWaalsContact OH-CB 3.27Å; Y51-C76 WeakPolarHBondContact OH-CB 3.49Å; C66-C76 WeakPolarHBondContact CA-SG 3.43Å; C66-C76 HydrophobicContact CB-CB 4.3Å; C66-C76 WeakPolarHBondContact CB-SG 3.26Å; C66-C76 WeakPolarHBondContact SG-CA 3.41Å; C66-C76 WeakPolarHBondContact SG-CB 3.26Å; C66-C76 CovalentContact SG-SG 2.02Å; C66-C76 PolarHBondContact SG-SG 2.9Å; G74-C76 PolarHBondContact O-N 2.92Å; C76-Y78 HydrophobicContact CB-CE2 4.14Å; C76-Y78 VanDerWaalsContact SG-CZ 3.59Å |
| 77 | I | 53.4 | Low | 51.1 | Low | 72 Ų | 72 | 88.7 Ų | 88.7 | 37% | 0.369 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123.3 | 173 | -54.8 | 179.4 | 0 | 0 | 0 | 107.8 | L67 Y68 | L67-I77 WeakPolarHBondContact CB-O 3.27Å; L67-I77 PolarHBondContact N-O 2.96Å; Y68-I77 HydrophobicContact CD1-CD1 3.98Å; Y68-I77 PolarHBondContact O-N 3.27Å |
| 78 | Y | 58.3 | Low | 51 | Low | 131 Ų | 131 | 87.2 Ų | 87.2 | 51% | 0.514 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -99.4 | 153.7 | 174.3 | -54.5 | -85.9 | 0 | 0 | 0 | 109.6 | T64 C76 | T64-Y78 HydrophobicContact CG2-CE1 4.19Å; C76-Y78 HydrophobicContact CB-CE2 4.14Å; C76-Y78 VanDerWaalsContact SG-CZ 3.59Å |
| 79 | E | 50.3 | Low | 51.3 | Low | 227 Ų | 227 | 84.5 Ų | 84.5 | 100% | 1.061 | 42% | 0.417 | S | S | * | . | trans | -67 | 0 | 168.5 | -112.2 | -177.9 | 140.4 | 0 | 0 | 112.7 | L67 | L67-E79 HydrophobicContact CD1-CB 4.04Å; L67-E79 HydrophobicContact CD1-CG 3.6Å; L67-E79 HydrophobicContact CD2-CG 4.18Å |
Retrieved 79 of 79 residues in 219.7 ms
(Link to these results)