| 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 | T | 43.1 | Very low | 57.9 | Low | 201 Ų | 201 | 152.5 Ų | 152.5 | 100% | 1.233 | 79% | 0.786 | S | S | * | * | 0 | 96.9 | 0 | 27.6 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 2 | D | 44.1 | Very low | 58.9 | Low | 152 Ų | 152 | 145 Ų | 145 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | -159.8 | 89.6 | 154.4 | -165.5 | 0.5 | 0 | 0 | 0 | 109.1 | R4 | D2-R4 PolarHBondContact O-N 3.34Š| ||
| 3 | C | 48.3 | Very low | 60.1 | Low | 127 Ų | 127 | 138.2 Ų | 138.2 | 86% | 0.858 | 73% | 0.725 | S | S | * | * | trans | -82.6 | 99.7 | 169.1 | -89.8 | 0 | 0 | 0 | 0 | 107.6 | K5 | C3-K5 PolarHBondContact O-N 2.97Š| ||
| 4 | R | 55 | Low | 61.5 | Low | 215 Ų | 215 | 134.9 Ų | 134.9 | 81% | 0.811 | 71% | 0.707 | S | S | * | * | trans | -55.9 | 96.5 | 169.3 | -171.9 | -177.7 | -64.1 | -176.2 | 0.2 | 109.5 | D2 M6 | D2-R4 PolarHBondContact O-N 3.34Å; R4-M6 PolarHBondContact O-N 2.86Å | ||
| 5 | K | 49.4 | Very low | 62.2 | Low | 206 Ų | 206 | 138.3 Ų | 138.3 | 90% | 0.896 | 71% | 0.707 | S | S | * | * | trans | -61.6 | 99.2 | 168 | -99.6 | 177.4 | 174.5 | 174.2 | 0 | 108 | C3 A7 | C3-K5 PolarHBondContact O-N 2.97Å; K5-A7 PolarHBondContact O-N 3.22Å | ||
| 6 | M | 56.8 | Low | 63 | Low | 167 Ų | 167 | 136.3 Ų | 136.3 | 82% | 0.823 | 70% | 0.697 | S | S | * | * | trans | -70.3 | 111.5 | 161.8 | -68.8 | -164.7 | -130.9 | 0 | 0 | 107.3 | R4 R8 | R4-M6 PolarHBondContact O-N 2.86Å; M6-R8 PolarHBondContact O-N 3.26Å; M6-R8 VanDerWaalsContact O-N 3.14Å | ||
| 7 | A | 60.1 | Low | 63.8 | Low | 73 Ų | 73 | 134.2 Ų | 134.2 | 60% | 0.603 | 69% | 0.685 | S | S | * | * | trans | -59.8 | 116.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | K5 F9 | K5-A7 PolarHBondContact O-N 3.22Å; A7-F9 PolarHBondContact O-N 3.14Å | ||
| 8 | R | 66.8 | Low | 64.1 | Low | 246 Ų | 246 | 130.2 Ų | 130.2 | 93% | 0.928 | 68% | 0.675 | S | S | * | * | trans | -75.6 | 108 | 170.8 | -70.9 | -176.7 | 179.8 | 169.2 | -0.5 | 107.2 | M6 | M6-R8 PolarHBondContact O-N 3.26Å; M6-R8 VanDerWaalsContact O-N 3.14Å | ||
| 9 | F | 69.4 | Low | 64.5 | Low | 133 Ų | 133 | 128.1 Ų | 128.1 | 58% | 0.583 | 66% | 0.664 | S | S | * | * | trans | -70.5 | 138.8 | 170.7 | -66.8 | -75.4 | 0 | 0 | 0 | 109.5 | A7 V13 I14 | A7-F9 PolarHBondContact O-N 3.14Å; F9-V13 HydrophobicContact CB-CB 4.44Å; F9-V13 HydrophobicContact CD1-CG1 4.21Å; F9-I14 HydrophobicContact CB-CG1 4.17Å | ||
| 10 | S | 74.2 | Confident | 64.7 | Low | 65 Ų | 65 | 125 Ų | 125 | 46% | 0.455 | 65% | 0.654 | S | S | . | * | trans | -56.8 | 144.7 | 171.9 | 176.8 | 0 | 0 | 0 | 0 | 110 | S12 V13 I14 | S10-S12 PolarHBondContact O-N 3.41Å; S10-S12 VanDerWaalsContact O-N 3.09Å; S10-S12 PolarHBondContact OG-OG 3.49Å; S10-V13 PolarHBondContact O-N 3.45Å; S10-I14 PolarHBondContact O-N 3.24Å | ||
| 11 | S | 70.3 | Confident | 64.6 | Low | 92 Ų | 92 | 126.1 Ų | 126.1 | 64% | 0.643 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -53.4 | -32 | 176.8 | 55.8 | 0 | 0 | 0 | 0 | 112.3 | I14 W15 | S11-I14 PolarHBondContact O-N 3.25Å; S11-W15 PolarHBondContact O-N 3.14Å |
| 12 | S | 68.9 | Low | 65.3 | Low | 63 Ų | 63 | 119.6 Ų | 119.6 | 44% | 0.441 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.4 | -40.4 | 174.5 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | S10 W15 I16 | S10-S12 PolarHBondContact O-N 3.41Å; S10-S12 VanDerWaalsContact O-N 3.09Å; S10-S12 PolarHBondContact OG-OG 3.49Å; S12-W15 PolarHBondContact O-N 3.11Å; S12-I16 WeakPolarHBondContact O-CD1 3.38Å; S12-I16 VanDerWaalsContact O-CG1 3.23Å; S12-I16 WeakPolarHBondContact O-CG1 3.28Å; S12-I16 PolarHBondContact O-N 3.11Å |
| 13 | V | 75.5 | Confident | 65.9 | Low | 56 Ų | 56 | 119.8 Ų | 119.8 | 34% | 0.339 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70.6 | -38.4 | -179.3 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | F9 S10 W15 I16 M17 | F9-V13 HydrophobicContact CB-CB 4.44Å; F9-V13 HydrophobicContact CD1-CG1 4.21Å; S10-V13 PolarHBondContact O-N 3.45Å; V13-W15 VanDerWaalsContact C-N 3.32Å; V13-I16 PolarHBondContact O-N 3.32Å; V13-M17 WeakPolarHBondContact O-CG 3.41Å; V13-M17 PolarHBondContact O-N 3.43Å |
| 14 | I | 78.9 | Confident | 66.3 | Low | 93 Ų | 93 | 119.9 Ų | 119.9 | 48% | 0.477 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.8 | -42.2 | 175.9 | -60.3 | 171.4 | 0 | 0 | 0 | 110.1 | F9 S10 S11 M17 A18 | F9-I14 HydrophobicContact CB-CG1 4.17Å; S10-I14 PolarHBondContact O-N 3.24Å; S11-I14 PolarHBondContact O-N 3.25Å; I14-M17 PolarHBondContact O-N 3.03Å; I14-A18 WeakPolarHBondContact O-CB 3.4Å; I14-A18 PolarHBondContact O-N 3.42Å |
| 15 | W | 71.7 | Confident | 66.2 | Low | 186 Ų | 186 | 116 Ų | 116 | 71% | 0.705 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.6 | -45.3 | 175.9 | -115.8 | 77.5 | 0 | 0 | 0 | 112.7 | S11 S12 V13 M17 A18 I19 | S11-W15 PolarHBondContact O-N 3.14Å; S12-W15 PolarHBondContact O-N 3.11Å; V13-W15 VanDerWaalsContact C-N 3.32Å; W15-M17 VanDerWaalsContact C-N 3.35Å; W15-M17 PolarHBondContact O-N 3.39Å; W15-A18 PolarHBondContact O-N 3.23Å; W15-I19 HydrophobicContact CE3-CD1 3.5Å; W15-I19 HydrophobicContact CE3-CG1 4.17Å; W15-I19 HydrophobicContact CZ3-CD1 3.73Å; W15-I19 HydrophobicContact CZ3-CG1 4.35Å; W15-I19 WeakPolarHBondContact O-CG1 3.49Å; W15-I19 PolarHBondContact O-N 3Å |
| 16 | I | 75.3 | Confident | 66.3 | Low | 106 Ų | 106 | 108.5 Ų | 108.5 | 54% | 0.544 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.2 | -45.8 | 177.1 | -68.4 | 162.2 | 0 | 0 | 0 | 110.3 | S12 V13 A18 I19 S20 | S12-I16 WeakPolarHBondContact O-CD1 3.38Å; S12-I16 VanDerWaalsContact O-CG1 3.23Å; S12-I16 WeakPolarHBondContact O-CG1 3.28Å; S12-I16 PolarHBondContact O-N 3.11Å; V13-I16 PolarHBondContact O-N 3.32Å; I16-A18 VanDerWaalsContact C-N 3.33Å; I16-A18 PolarHBondContact O-N 3.4Å; I16-I19 PolarHBondContact O-N 3.07Å; I16-S20 PolarHBondContact O-N 3.4Å; I16-S20 PolarHBondContact O-OG 3.46Å; I16-S20 VanDerWaalsContact O-OG 3.07Å |
| 17 | M | 76.3 | Confident | 65.9 | Low | 100 Ų | 100 | 106.1 Ų | 106.1 | 49% | 0.493 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.4 | -37.6 | 177.7 | -70.3 | -167.4 | -57 | 0 | 0 | 112.7 | V13 I14 W15 K21 | V13-M17 WeakPolarHBondContact O-CG 3.41Å; V13-M17 PolarHBondContact O-N 3.43Å; I14-M17 PolarHBondContact O-N 3.03Å; W15-M17 VanDerWaalsContact C-N 3.35Å; W15-M17 PolarHBondContact O-N 3.39Å; M17-K21 VanDerWaalsContact O-CG 3.28Å; M17-K21 WeakPolarHBondContact O-CG 3.23Å; M17-K21 PolarHBondContact O-N 3.39Å; M17-K21 VanDerWaalsContact O-N 3.11Å |
| 18 | A | 70.4 | Confident | 65.2 | Low | 62 Ų | 62 | 108.7 Ų | 108.7 | 51% | 0.512 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.6 | -43.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | I14 W15 I16 K21 A22 | I14-A18 WeakPolarHBondContact O-CB 3.4Å; I14-A18 PolarHBondContact O-N 3.42Å; W15-A18 PolarHBondContact O-N 3.23Å; I16-A18 VanDerWaalsContact C-N 3.33Å; I16-A18 PolarHBondContact O-N 3.4Å; A18-K21 PolarHBondContact O-N 2.99Å; A18-A22 PolarHBondContact O-N 3.07Å; A18-A22 VanDerWaalsContact O-N 3.11Å |
| 19 | I | 70.4 | Confident | 64.3 | Low | 90 Ų | 90 | 101.3 Ų | 101.3 | 46% | 0.462 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.7 | -45.1 | 176.9 | -64.9 | 166.8 | 0 | 0 | 0 | 110.6 | W15 I16 K21 A22 F23 | W15-I19 HydrophobicContact CE3-CD1 3.5Å; W15-I19 HydrophobicContact CE3-CG1 4.17Å; W15-I19 HydrophobicContact CZ3-CD1 3.73Å; W15-I19 HydrophobicContact CZ3-CG1 4.35Å; W15-I19 WeakPolarHBondContact O-CG1 3.49Å; W15-I19 PolarHBondContact O-N 3Å; I16-I19 PolarHBondContact O-N 3.07Å; I19-K21 VanDerWaalsContact C-N 3.27Å; I19-K21 PolarHBondContact O-N 3.37Å; I19-A22 PolarHBondContact O-N 3.46Å; I19-A22 VanDerWaalsContact O-N 3.14Å; I19-F23 PolarHBondContact O-N 3.31Å; I19-F23 VanDerWaalsContact O-N 3.08Å |
| 20 | S | 68.6 | Low | 63.1 | Low | 66 Ų | 66 | 97.7 Ų | 97.7 | 46% | 0.462 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.2 | -38.2 | 179.3 | -60.5 | 0 | 0 | 0 | 0 | 112 | I16 F23 E24 | I16-S20 PolarHBondContact O-N 3.4Å; I16-S20 PolarHBondContact O-OG 3.46Å; I16-S20 VanDerWaalsContact O-OG 3.07Å; S20-F23 PolarHBondContact O-N 3.01Å; S20-E24 WeakPolarHBondContact O-CG 3.44Å; S20-E24 PolarHBondContact O-N 2.91Å |
| 21 | K | 63 | Low | 61.6 | Low | 149 Ų | 149 | 102.6 Ų | 102.6 | 65% | 0.648 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.7 | -32.8 | 176.6 | -67 | -64.2 | 177.8 | -174.3 | 0 | 113.2 | M17 A18 I19 L25 | M17-K21 VanDerWaalsContact O-CG 3.28Å; M17-K21 WeakPolarHBondContact O-CG 3.23Å; M17-K21 PolarHBondContact O-N 3.39Å; M17-K21 VanDerWaalsContact O-N 3.11Å; A18-K21 PolarHBondContact O-N 2.99Å; I19-K21 VanDerWaalsContact C-N 3.27Å; I19-K21 PolarHBondContact O-N 3.37Å; K21-L25 WeakPolarHBondContact O-CG 3.43Å; K21-L25 PolarHBondContact O-N 3.06Å |
| 22 | A | 59.1 | Low | 60 | Low | 65 Ų | 65 | 103.2 Ų | 103.2 | 54% | 0.537 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.6 | -35.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A18 I19 L25 G26 | A18-A22 PolarHBondContact O-N 3.07Å; A18-A22 VanDerWaalsContact O-N 3.11Å; I19-A22 PolarHBondContact O-N 3.46Å; I19-A22 VanDerWaalsContact O-N 3.14Å; A22-L25 PolarHBondContact O-N 3.06Å; A22-G26 PolarHBondContact O-N 3.3Å |
| 23 | F | 55.6 | Low | 58.4 | Low | 155 Ų | 155 | 107.9 Ų | 107.9 | 68% | 0.68 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70.7 | -37.6 | 178.8 | -136.2 | -96.5 | 0 | 0 | 0 | 112.6 | I19 S20 G26 L27 | I19-F23 PolarHBondContact O-N 3.31Å; I19-F23 VanDerWaalsContact O-N 3.08Å; S20-F23 PolarHBondContact O-N 3.01Å; F23-G26 PolarHBondContact O-N 3.08Å; F23-L27 HydrophobicContact CD1-CD1 4.06Å; F23-L27 HydrophobicContact CE1-CD1 4.17Å; F23-L27 PolarHBondContact O-N 3.04Å |
| 24 | E | 56.5 | Low | 56.3 | Low | 130 Ų | 130 | 113.2 Ų | 113.2 | 61% | 0.607 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.2 | -38.7 | 173.5 | -70.2 | -66 | 160.9 | 0 | 0 | 112.3 | S20 L27 V28 | S20-E24 WeakPolarHBondContact O-CG 3.44Å; S20-E24 PolarHBondContact O-N 2.91Å; E24-L27 PolarHBondContact O-N 3.09Å; E24-V28 PolarHBondContact O-N 2.89Å |
| 25 | L | 52.6 | Low | 54.2 | Low | 133 Ų | 133 | 116.7 Ų | 116.7 | 70% | 0.696 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.1 | -31 | 175.7 | -69.8 | 171.7 | 0 | 0 | 0 | 112.7 | K21 A22 | K21-L25 WeakPolarHBondContact O-CG 3.43Å; K21-L25 PolarHBondContact O-N 3.06Å; A22-L25 PolarHBondContact O-N 3.06Å |
| 26 | G | 52.8 | Low | 52.3 | Low | 49 Ų | 49 | 116 Ų | 116 | 51% | 0.505 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -72.1 | -32 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A22 F23 | A22-G26 PolarHBondContact O-N 3.3Å; F23-G26 PolarHBondContact O-N 3.08Å |
| 27 | L | 48 | Very low | 50.1 | Low | 116 Ų | 116 | 115 Ų | 115 | 61% | 0.607 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73.3 | -33.3 | 177.9 | -118.9 | 101.8 | 0 | 0 | 0 | 112.9 | F23 E24 | F23-L27 HydrophobicContact CD1-CD1 4.06Å; F23-L27 HydrophobicContact CE1-CD1 4.17Å; F23-L27 PolarHBondContact O-N 3.04Å; E24-L27 PolarHBondContact O-N 3.09Å |
| 28 | V | 45.9 | Very low | 48.1 | Very low | 128 Ų | 128 | 121.2 Ų | 121.2 | 78% | 0.776 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75.9 | -22.3 | -178.5 | 171.7 | 0 | 0 | 0 | 0 | 112.8 | E24 | E24-V28 PolarHBondContact O-N 2.89Å |
| 29 | A | 46.5 | Very low | 46.2 | Very low | 90 Ų | 90 | 124.5 Ų | 124.5 | 74% | 0.744 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -2.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 30 | G | 45.5 | Very low | 44.4 | Very low | 58 Ų | 58 | 125.4 Ų | 125.4 | 60% | 0.598 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -101.7 | 10.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 31 | L | 42 | Very low | 42.6 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 88% | 0.88 | 73% | 0.725 | S | S | * | * | trans | -133.2 | 61.6 | -176.3 | -76.1 | 168.5 | 0 | 0 | 0 | 112.8 | ||||
| 32 | S | 35.8 | Very low | 41 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | trans | -142.8 | 115.2 | 163.3 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 33 | H | 36.2 | Very low | 39.7 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | trans | 64.8 | 106.2 | 157.3 | -91.8 | -74.6 | 0 | 0 | 0 | 119.4 | ||||
| 34 | Q | 31.5 | Very low | 38.7 | Very low | 167 Ų | 167 | 136 Ų | 136 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | -152.2 | 81.7 | 118.1 | -160.8 | 161.6 | 11.6 | 0 | 0 | 111.8 | F36 | Q34-F36 HydrophobicContact CG-CD2 3.46Å; Q34-F36 VanDerWaalsContact CG-CD2 3.46Å; Q34-F36 HydrophobicContact CG-CE2 3.85Å | |||
| 35 | E | 34.3 | Very low | 37.4 | Very low | 166 Ų | 166 | 134 Ų | 134 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | -86.4 | 111.5 | 161.9 | -158.9 | 167 | 176.3 | 0 | 0 | 107.2 | ||||
| 36 | F | 32.9 | Very low | 36.4 | Very low | 171 Ų | 171 | 137 Ų | 137 | 75% | 0.75 | 77% | 0.769 | S | S | * | * | trans | -129.5 | 96 | 167 | -87.1 | -77.2 | 0 | 0 | 0 | 110.4 | Q34 | Q34-F36 HydrophobicContact CG-CD2 3.46Å; Q34-F36 VanDerWaalsContact CG-CD2 3.46Å; Q34-F36 HydrophobicContact CG-CE2 3.85Å | ||
| 37 | A | 28.4 | Very low | 35.5 | Very low | 87 Ų | 87 | 144.9 Ų | 144.9 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | trans | 27.2 | 111.8 | 135.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 38 | R | 33.6 | Very low | 34.8 | Very low | 230 Ų | 230 | 145 Ų | 145 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | -55.4 | 150.2 | 143.8 | -77.1 | -179.7 | 168 | 124.6 | -3.3 | 110.8 | ||||
| 39 | P | 31.9 | Very low | 34.1 | Very low | 131 Ų | 131 | 145.2 Ų | 145.2 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | -108 | 121.1 | 142 | 23.8 | -8.3 | 0 | 0 | 0 | 110.1 | ||||
| 40 | S | 32 | Very low | 33.6 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -111.3 | 124 | 159.2 | -64.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 41 | R | 29.6 | Very low | 33 | Very low | 259 Ų | 259 | 149.9 Ų | 149.9 | 98% | 0.977 | 79% | 0.785 | S | S | * | * | trans | -177.1 | 123.9 | 149 | -167.6 | 161.5 | 169.5 | -173 | -5.3 | 112.1 | ||||
| 42 | G | 31.1 | Very low | 32.3 | Very low | 73 Ų | 73 | 153.4 Ų | 153.4 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | 131.3 | 86.2 | 147.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 43 | D | 30.6 | Very low | 32.4 | Very low | 156 Ų | 156 | 152.8 Ų | 152.8 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -56.5 | 144.3 | 153 | -79 | -51.8 | 0 | 0 | 0 | 111.3 | ||||
| 44 | L | 33.9 | Very low | 32.1 | Very low | 169 Ų | 169 | 153.4 Ų | 153.4 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | 160.2 | 142.2 | 115.1 | -81.2 | 176.3 | 0 | 0 | 0 | 113.2 | |||||
| 45 | A | 29.6 | Very low | 32.1 | Very low | 90 Ų | 90 | 154 Ų | 154 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | 84.4 | 88.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 46 | F | 32.2 | Very low | 31.9 | Very low | 196 Ų | 196 | 153.8 Ų | 153.8 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | 5.2 | 124.7 | 116.5 | -126.2 | -94.5 | 0 | 0 | 0 | 116.4 | |||||
| 47 | R | 33.6 | Very low | 32 | Very low | 213 Ų | 213 | 151.3 Ų | 151.3 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -163 | 95.9 | 144.1 | -94.8 | -101.1 | 171 | -170.7 | -3 | 109.7 | D49 | R47-D49 IonicContact NH1-OD2 2.95Å; R47-D49 PolarHBondContact NH1-OD2 3.02Å | ||
| 48 | D | 33.7 | Very low | 32.6 | Very low | 120 Ų | 120 | 151 Ų | 151 | 64% | 0.642 | 78% | 0.784 | S | S | * | * | trans | -70.1 | 134.7 | 150.1 | 175.5 | 38.3 | 0 | 0 | 0 | 108 | S50 | D48-S50 PolarHBondContact OD1-OG 3.2Š| ||
| 49 | D | 32.1 | Very low | 33 | Very low | 132 Ų | 132 | 147.7 Ų | 147.7 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -152.2 | 115.7 | 157.6 | -98.8 | -41.6 | 0 | 0 | 0 | 107.9 | R47 | R47-D49 IonicContact NH1-OD2 2.95Å; R47-D49 PolarHBondContact NH1-OD2 3.02Å | ||
| 50 | S | 34.3 | Very low | 33.4 | Very low | 90 Ų | 90 | 152.1 Ų | 152.1 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | trans | -102.7 | 146.4 | -176.3 | -63.6 | 0 | 0 | 0 | 0 | 111.6 | D48 | D48-S50 PolarHBondContact OD1-OG 3.2Š| ||
| 51 | I | 33.9 | Very low | 33.8 | Very low | 156 Ų | 156 | 153.3 Ų | 153.3 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | 82.7 | 115.4 | 150 | -40.5 | -157.1 | 0 | 0 | 0 | 120.7 | ||||
| 52 | R | 27.2 | Very low | 34 | Very low | 241 Ų | 241 | 151.8 Ų | 151.8 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | -152.4 | 138.3 | 120.6 | -122 | -153.4 | 156.7 | -146.2 | -6.6 | 113.6 | |||||
| 53 | P | 38.5 | Very low | 34.5 | Very low | 93 Ų | 93 | 152.7 Ų | 152.7 | 60% | 0.604 | 78% | 0.776 | S | S | * | * | trans | -104.7 | 176.7 | -176.6 | 40.2 | -31.5 | 0 | 0 | 0 | 113.8 | ||||
| 54 | Q | 29.5 | Very low | 35.6 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | 99.2 | 127 | 176.4 | -56 | -105.1 | -34.3 | 0 | 0 | 112.2 | ||||
| 55 | E | 30.1 | Very low | 36.1 | Very low | 180 Ų | 180 | 149.9 Ų | 149.9 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | cis | -161.8 | 154.5 | 29.1 | -153.1 | 169.3 | 157.6 | 0 | 0 | 109.7 | ||||
| 56 | E | 31.6 | Very low | 37.1 | Very low | 161 Ų | 161 | 153.5 Ų | 153.5 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | -78.9 | 159.5 | -167.1 | -177.3 | 148.8 | 127.7 | 0 | 0 | 114.8 | A58 | E56-A58 VanDerWaalsContact CG-N 3.27Š| ||
| 57 | P | 33.5 | Very low | 37.9 | Very low | 119 Ų | 119 | 150.2 Ų | 150.2 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | -135.4 | 134.6 | 108 | 18.5 | 1.8 | 0 | 0 | 0 | 113.8 | I59 | P57-I59 PolarHBondContact O-N 3.39Š| |||
| 58 | A | 42.4 | Very low | 38.3 | Very low | 80 Ų | 80 | 144.4 Ų | 144.4 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | trans | -54 | 110.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E56 | E56-A58 VanDerWaalsContact CG-N 3.27Š| ||
| 59 | I | 41.9 | Very low | 39.2 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | -106.4 | 105.6 | 164.3 | -56.1 | -174.7 | 0 | 0 | 0 | 107.8 | P57 | P57-I59 PolarHBondContact O-N 3.39Š| ||
| 60 | R | 40.4 | Very low | 40 | Very low | 224 Ų | 224 | 147.8 Ų | 147.8 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | -44.3 | 137.5 | 176.8 | -64.4 | -169.8 | -103.2 | 178.3 | -7.2 | 111.7 | R62 | R60-R62 PolarHBondContact O-N 3.14Š| ||
| 61 | P | 39.8 | Very low | 40.4 | Very low | 133 Ų | 133 | 147 Ų | 147 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -66.8 | 104.3 | 168.5 | 25.8 | -28.8 | 0 | 0 | 0 | 108.1 | S63 | P61-S63 PolarHBondContact O-N 3.29Š| ||
| 62 | R | 33.7 | Very low | 41.4 | Very low | 227 Ų | 227 | 146.7 Ų | 146.7 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -69.1 | 105.5 | 178.4 | -173.6 | 170.7 | -176.6 | 165.6 | -0.4 | 108.2 | R60 | R60-R62 PolarHBondContact O-N 3.14Š| ||
| 63 | S | 41.9 | Very low | 42.3 | Very low | 92 Ų | 92 | 144.4 Ų | 144.4 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | trans | 12.6 | 115.5 | 155.8 | -166.2 | 0 | 0 | 0 | 0 | 116.3 | P61 Q65 | P61-S63 PolarHBondContact O-N 3.29Å; S63-Q65 PolarHBondContact O-N 3.1Å | ||
| 64 | S | 54 | Low | 42.7 | Very low | 105 Ų | 105 | 146.3 Ų | 146.3 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -36.7 | 99.2 | 161.9 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | H66 | S64-H66 VanDerWaalsContact C-N 3.32Å; S64-H66 PolarHBondContact O-N 2.03Å | ||
| 65 | Q | 44.4 | Very low | 43.9 | Very low | 161 Ų | 161 | 143.4 Ų | 143.4 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | -90.5 | 83.8 | 162.8 | -73.8 | -172.8 | -9.6 | 0 | 0 | 107.1 | S63 V67 | S63-Q65 PolarHBondContact O-N 3.1Å; Q65-V67 PolarHBondContact O-N 3.4Å; Q65-V67 VanDerWaalsContact O-N 3.08Å | ||
| 66 | H | 50.6 | Low | 44.8 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | -59.8 | 104.4 | 163.1 | -142.3 | 102.8 | 0 | 0 | 0 | 107.1 | S64 S68 | S64-H66 VanDerWaalsContact C-N 3.32Å; S64-H66 PolarHBondContact O-N 2.03Å; H66-S68 PolarHBondContact O-N 2.96Å | ||
| 67 | V | 48.8 | Very low | 45.7 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -84.8 | 109.6 | 172.9 | -179.5 | 0 | 0 | 0 | 0 | 107.1 | Q65 | Q65-V67 PolarHBondContact O-N 3.4Å; Q65-V67 VanDerWaalsContact O-N 3.08Å | ||
| 68 | S | 42.6 | Very low | 46.4 | Very low | 91 Ų | 91 | 145.1 Ų | 145.1 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -65 | 130.1 | 174 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | H66 M70 | H66-S68 PolarHBondContact O-N 2.96Å; S68-M70 PolarHBondContact O-N 3.48Å |
| 69 | P | 52.3 | Low | 46.9 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 120.8 | 166.6 | -14.6 | 28.6 | 0 | 0 | 0 | 109.4 | ||
| 70 | M | 47.8 | Very low | 47.6 | Very low | 196 Ų | 196 | 151 Ų | 151 | 97% | 0.966 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 122 | 168.6 | -69.7 | -174.9 | 175.2 | 0 | 0 | 109.3 | S68 | S68-M70 PolarHBondContact O-N 3.48Š|
| 71 | G | 43.8 | Very low | 49.2 | Very low | 73 Ų | 73 | 145.4 Ų | 145.4 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | 151.9 | 60.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q73 | G71-Q73 PolarHBondContact O-N 2.77Š| ||
| 72 | I | 55 | Low | 51.5 | Low | 151 Ų | 151 | 140.7 Ų | 140.7 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | trans | -76.4 | 104 | 175.4 | -59.6 | -179.3 | 0 | 0 | 0 | 108.8 | ||||
| 73 | Q | 45.8 | Very low | 54.3 | Low | 192 Ų | 192 | 130.4 Ų | 130.4 | 90% | 0.897 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -101.7 | 109.3 | 140.4 | -70.5 | -169 | 38.9 | 0 | 0 | 107.3 | G71 S75 | G71-Q73 PolarHBondContact O-N 2.77Å; Q73-S75 PolarHBondContact O-N 2.87Å |
| 74 | N | 46.2 | Very low | 56.8 | Low | 133 Ų | 133 | 129.8 Ų | 129.8 | 71% | 0.711 | 70% | 0.7 | S | S | * | * | trans | 8.7 | 94.9 | 170.3 | -66.1 | -25.9 | 0 | 0 | 0 | 117.7 | K76 | N74-K76 PolarHBondContact O-N 2.81Å; N74-K76 VanDerWaalsContact O-N 3.08Å | ||
| 75 | S | 54.9 | Low | 58.6 | Low | 113 Ų | 113 | 128.6 Ų | 128.6 | 79% | 0.79 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 3.1 | 171.7 | 57 | 0 | 0 | 0 | 0 | 115.3 | Q73 | Q73-S75 PolarHBondContact O-N 2.87Š|
| 76 | K | 49.4 | Very low | 60.8 | Low | 203 Ų | 203 | 124.1 Ų | 124.1 | 88% | 0.883 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -3.4 | -172.2 | -156.3 | -178 | 172.8 | -169.5 | 0 | 114.6 | N74 | N74-K76 PolarHBondContact O-N 2.81Å; N74-K76 VanDerWaalsContact O-N 3.08Å |
| 77 | E | 50.3 | Low | 62.9 | Low | 181 Ų | 181 | 117.1 Ų | 117.1 | 85% | 0.846 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -124.9 | 3.4 | 179.4 | -134 | 160.5 | -164.6 | 0 | 0 | 114.3 | ||
| 78 | L | 47.9 | Very low | 65 | Low | 113 Ų | 113 | 115.3 Ų | 115.3 | 59% | 0.592 | 64% | 0.644 | S | S | * | * | trans | -115.7 | 78.7 | 168.5 | -64.7 | 172.9 | 0 | 0 | 0 | 109.1 | R80 | L78-R80 HydrophobicContact CB-CB 4.36Å; L78-R80 HydrophobicContact CB-CG 4.41Å; L78-R80 HydrophobicContact CD2-CG 4.33Å; L78-R80 PolarHBondContact O-N 2.82Å | ||
| 79 | N | 52.8 | Low | 67.5 | Low | 168 Ų | 168 | 113.3 Ų | 113.3 | 90% | 0.898 | 63% | 0.63 | S | S | * | * | trans | -64.5 | 70.9 | 153.9 | -178.4 | -2.5 | 0 | 0 | 0 | 108.6 | ||||
| 80 | R | 56.8 | Low | 69.4 | Low | 197 Ų | 197 | 112.2 Ų | 112.2 | 74% | 0.743 | 62% | 0.615 | S | S | * | * | trans | -142.2 | 100.4 | -174.8 | -62.9 | -163.2 | -177.8 | 168.4 | 1.1 | 109.2 | L78 C82 | L78-R80 HydrophobicContact CB-CB 4.36Å; L78-R80 HydrophobicContact CB-CG 4.41Å; L78-R80 HydrophobicContact CD2-CG 4.33Å; L78-R80 PolarHBondContact O-N 2.82Å; R80-C82 PolarHBondContact O-N 3.17Å | ||
| 81 | T | 74.7 | Confident | 71.3 | Confident | 106 Ų | 106 | 110.7 Ų | 110.7 | 65% | 0.65 | 61% | 0.61 | S | S | * | * | trans | -46.7 | 129.5 | 153.4 | 38.4 | 0 | 0 | 0 | 0 | 108.4 | C83 | T81-C83 VanDerWaalsContact CB-O 3.27Å; T81-C83 WeakPolarHBondContact CB-O 3.32Å; T81-C83 PolarHBondContact O-N 3.13Å; T81-C83 PolarHBondContact OG1-O 3.15Å; T81-C83 VanDerWaalsContact OG1-O 3.14Å | ||
| 82 | C | 87.8 | Confident | 73.1 | Confident | 34 Ų | 34 | 110.1 Ų | 110.1 | 23% | 0.23 | 60% | 0.604 | C | S | . | * | S | Bend | trans | -48.6 | -32.7 | 177.2 | 158.6 | 0 | 0 | 0 | 0 | 112.6 | R80 C89 C95 N105 | R80-C82 PolarHBondContact O-N 3.17Å; C82-C89 HydrophobicContact CB-CB 3.58Å; C82-C89 WeakPolarHBondContact CB-SG 3.44Å; C82-C89 WeakPolarHBondContact SG-CB 3Å; C82-C89 CovalentContact SG-SG 2.04Å; C82-C89 PolarHBondContact SG-SG 2.04Å; C82-C95 PolarHBondContact O-SG 3.31Å; C82-N105 PolarHBondContact O-ND2 2.8Å |
| 83 | C | 93.1 | Very high | 74.6 | Confident | 11 Ų | 11 | 106 Ų | 106 | 7% | 0.074 | 59% | 0.589 | C | S | . | * | S | Bend | trans | -126.3 | 151.5 | 175 | -48.4 | 0 | 0 | 0 | 0 | 111.2 | T81 G87 C95 | T81-C83 VanDerWaalsContact CB-O 3.27Å; T81-C83 WeakPolarHBondContact CB-O 3.32Å; T81-C83 PolarHBondContact O-N 3.13Å; T81-C83 PolarHBondContact OG1-O 3.15Å; T81-C83 VanDerWaalsContact OG1-O 3.14Å; C83-G87 WeakPolarHBondContact CB-O 2.95Å; C83-C95 WeakPolarHBondContact CA-SG 3.36Å; C83-C95 HydrophobicContact CB-CB 3.93Å; C83-C95 WeakPolarHBondContact CB-SG 3.41Å; C83-C95 WeakPolarHBondContact SG-CA 3.16Å; C83-C95 WeakPolarHBondContact SG-CB 3.46Å; C83-C95 CovalentContact SG-SG 2.03Å; C83-C95 PolarHBondContact SG-SG 3.24Å |
| 84 | L | 93 | Very high | 76.7 | Confident | 78 Ų | 78 | 103.7 Ų | 103.7 | 41% | 0.408 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -101 | 173.9 | 173.8 | -54.7 | 178.9 | 0 | 0 | 0 | 110.1 | G86 G87 N105 C106 E107 | L84-G86 PolarHBondContact O-N 2.88Å; L84-G87 PolarHBondContact O-N 3.31Å; L84-N105 VanDerWaalsContact CB-O 3.28Å; L84-N105 WeakPolarHBondContact CB-O 3.47Å; L84-N105 PolarHBondContact N-O 3.4Å; L84-C106 WeakPolarHBondContact O-CB 3.38Å; L84-E107 HydrophobicContact CD1-CB 3.9Å |
| 85 | N | 92.3 | Very high | 79.1 | Confident | 81 Ų | 81 | 98.8 Ų | 98.8 | 43% | 0.433 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 50.4 | 35.9 | 168.3 | -60.3 | -44.8 | 0 | 0 | 0 | 115.5 | G87 F101 C106 | N85-G87 VanDerWaalsContact C-N 3.35Å; N85-F101 HydrophobicContact CB-CB 4.43Å; N85-F101 HydrophobicContact CB-CD1 3.44Å; N85-F101 VanDerWaalsContact CB-CD1 3.44Å; N85-F101 HydrophobicContact CB-CD2 3.94Å; N85-F101 HydrophobicContact CB-CE1 3.5Å; N85-F101 HydrophobicContact CB-CE2 4.01Å; N85-F101 HydrophobicContact CB-CG 3.67Å; N85-F101 HydrophobicContact CB-CZ 3.8Å; N85-F101 WeakPolarHBondContact ND2-CD1 3.44Å; N85-C106 PolarHBondContact ND2-O 3.49Å |
| 86 | G | 91.4 | Very high | 81 | Confident | 67 Ų | 67 | 95.9 Ų | 95.9 | 69% | 0.691 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 15.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L84 | L84-G86 PolarHBondContact O-N 2.88Š|
| 87 | G | 93.7 | Very high | 83.2 | Confident | 18 Ų | 18 | 88.4 Ų | 88.4 | 19% | 0.186 | 51% | 0.507 | C | S | . | . | trans | -65.4 | 147.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | C83 L84 N85 A96 | C83-G87 WeakPolarHBondContact CB-O 2.95Å; L84-G87 PolarHBondContact O-N 3.31Å; N85-G87 VanDerWaalsContact C-N 3.35Å; G87-A96 WeakPolarHBondContact CA-O 3.09Å | ||
| 88 | T | 93.4 | Very high | 85.3 | Confident | 88 Ų | 88 | 81.8 Ų | 81.8 | 54% | 0.54 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 127.2 | 177.7 | -59 | 0 | 0 | 0 | 0 | 110.3 | M90 C95 A96 | T88-M90 PolarHBondContact O-N 2.85Å; T88-C95 WeakPolarHBondContact O-CA 3.47Å; T88-A96 PolarHBondContact N-O 2.92Å; T88-A96 PolarHBondContact O-N 3.19Å |
| 89 | C | 94.1 | Very high | 87.2 | Confident | 49 Ų | 49 | 82.8 Ų | 82.8 | 33% | 0.331 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 111.5 | 178.9 | -169.9 | 0 | 0 | 0 | 0 | 111.3 | C82 G92 S93 F94 | C82-C89 HydrophobicContact CB-CB 3.58Å; C82-C89 WeakPolarHBondContact CB-SG 3.44Å; C82-C89 WeakPolarHBondContact SG-CB 3Å; C82-C89 CovalentContact SG-SG 2.04Å; C82-C89 PolarHBondContact SG-SG 2.04Å; C89-G92 WeakPolarHBondContact SG-CA 3.34Å; C89-S93 PolarHBondContact SG-N 2.97Å; C89-S93 VanDerWaalsContact SG-N 3.42Å; C89-F94 CarbonylContact C-O 3.55Å; C89-F94 WeakPolarHBondContact CA-O 3.28Å |
| 90 | M | 92.9 | Very high | 88.9 | Confident | 104 Ų | 104 | 75.8 Ų | 75.8 | 51% | 0.512 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 125.6 | 172.8 | -56.7 | -64.3 | -74.3 | 0 | 0 | 108.9 | T88 G92 S93 F94 A96 | T88-M90 PolarHBondContact O-N 2.85Å; M90-G92 PolarHBondContact O-N 2.86Å; M90-S93 PolarHBondContact O-N 2.95Å; M90-F94 HydrophobicContact CB-CB 4.22Å; M90-F94 PolarHBondContact N-O 2.81Å; M90-F94 PolarHBondContact O-N 3.35Å; M90-A96 HydrophobicContact CG-CB 4.47Å |
| 91 | L | 87.1 | Confident | 90.6 | Very high | 165 Ų | 165 | 68.4 Ų | 68.4 | 86% | 0.864 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 19.2 | 176.8 | -55.8 | 172.5 | 0 | 0 | 0 | 115.2 | S93 | L91-S93 VanDerWaalsContact C-N 3.33Å; L91-S93 PolarHBondContact O-N 3.4Å |
| 92 | G | 82.4 | Confident | 91.3 | Very high | 61 Ų | 61 | 68.2 Ų | 68.2 | 63% | 0.629 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | 3.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | C89 M90 | C89-G92 WeakPolarHBondContact SG-CA 3.34Å; M90-G92 PolarHBondContact O-N 2.86Å |
| 93 | S | 85.7 | Confident | 91.5 | Very high | 65 Ų | 65 | 68 Ų | 68 | 46% | 0.455 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.3 | -29.4 | -175.6 | 60.6 | 0 | 0 | 0 | 0 | 116.3 | C89 M90 L91 | C89-S93 PolarHBondContact SG-N 2.97Å; C89-S93 VanDerWaalsContact SG-N 3.42Å; M90-S93 PolarHBondContact O-N 2.95Å; L91-S93 VanDerWaalsContact C-N 3.33Å; L91-S93 PolarHBondContact O-N 3.4Å |
| 94 | F | 91 | Very high | 91.5 | Very high | 142 Ų | 142 | 77.1 Ų | 77.1 | 62% | 0.623 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 141.5 | -177.8 | -61.4 | -82.5 | 0 | 0 | 0 | 110.7 | C89 M90 | C89-F94 CarbonylContact C-O 3.55Å; C89-F94 WeakPolarHBondContact CA-O 3.28Å; M90-F94 HydrophobicContact CB-CB 4.22Å; M90-F94 PolarHBondContact N-O 2.81Å; M90-F94 PolarHBondContact O-N 3.35Å |
| 95 | C | 95.3 | Very high | 91.6 | Very high | 30 Ų | 30 | 76.1 Ų | 76.1 | 20% | 0.203 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 129.1 | -178.9 | -67.7 | 0 | 0 | 0 | 0 | 112.5 | C82 C83 T88 R104 | C82-C95 PolarHBondContact O-SG 3.31Å; C83-C95 WeakPolarHBondContact CA-SG 3.36Å; C83-C95 HydrophobicContact CB-CB 3.93Å; C83-C95 WeakPolarHBondContact CB-SG 3.41Å; C83-C95 WeakPolarHBondContact SG-CA 3.16Å; C83-C95 WeakPolarHBondContact SG-CB 3.46Å; C83-C95 CovalentContact SG-SG 2.03Å; C83-C95 PolarHBondContact SG-SG 3.24Å; T88-C95 WeakPolarHBondContact O-CA 3.47Å; C95-R104 WeakPolarHBondContact CB-O 3.48Å; C95-R104 PolarHBondContact SG-O 3.22Å |
| 96 | A | 95.1 | Very high | 91.6 | Very high | 52 Ų | 52 | 72.2 Ų | 72.2 | 43% | 0.43 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 112 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | G87 T88 M90 | G87-A96 WeakPolarHBondContact CA-O 3.09Å; T88-A96 PolarHBondContact N-O 2.92Å; T88-A96 PolarHBondContact O-N 3.19Å; M90-A96 HydrophobicContact CG-CB 4.47Å |
| 97 | C | 95.9 | Very high | 91.7 | Very high | 46 Ų | 46 | 72.7 Ų | 72.7 | 31% | 0.311 | 41% | 0.414 | S | S | . | . | trans | -90.9 | 142.9 | -175.4 | -57.5 | 0 | 0 | 0 | 0 | 112.5 | F101 C106 | C97-F101 WeakPolarHBondContact CB-O 3.38Å; C97-C106 WeakPolarHBondContact CA-SG 3.07Å; C97-C106 HydrophobicContact CB-CB 3.88Å; C97-C106 WeakPolarHBondContact CB-SG 3.44Å; C97-C106 WeakPolarHBondContact SG-CA 3.01Å; C97-C106 WeakPolarHBondContact SG-CB 3.21Å; C97-C106 CovalentContact SG-SG 2.04Å; C97-C106 PolarHBondContact SG-SG 3.1Å | ||
| 98 | P | 93.9 | Very high | 91.4 | Very high | 43 Ų | 43 | 75.4 Ų | 75.4 | 28% | 0.279 | 42% | 0.422 | S | S | . | . | trans | -61.1 | 160.9 | 168.5 | -19.6 | 32.2 | 0 | 0 | 0 | 111.5 | S100 F101 | P98-S100 PolarHBondContact O-N 3Å; P98-F101 HydrophobicContact CB-CD2 4.42Å; P98-F101 PolarHBondContact O-N 2.73Å | ||
| 99 | P | 89.1 | Confident | 91.2 | Very high | 134 Ų | 134 | 73.2 Ų | 73.2 | 87% | 0.87 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -19.9 | -169.2 | -28.8 | 35.2 | 0 | 0 | 0 | 117.2 | ||
| 100 | S | 88.6 | Confident | 90.6 | Very high | 20 Ų | 20 | 73.9 Ų | 73.9 | 14% | 0.14 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 0 | -176.5 | -50.5 | 0 | 0 | 0 | 0 | 113.6 | P98 V110 R111 | P98-S100 PolarHBondContact O-N 3Å; S100-V110 WeakPolarHBondContact O-CB 3.39Å; S100-V110 WeakPolarHBondContact O-CG2 3.23Å; S100-V110 PolarHBondContact O-N 3.49Å; S100-R111 PolarHBondContact OG-NH1 2.03Å; S100-R111 PolarHBondContact OG-NH2 2.92Å |
| 101 | F | 91.6 | Very high | 89.7 | Confident | 43 Ų | 43 | 75.9 Ų | 75.9 | 19% | 0.189 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 146.9 | 178.9 | -62.5 | -85.8 | 0 | 0 | 0 | 110.8 | N85 C97 P98 C106 H108 D109 | N85-F101 HydrophobicContact CB-CB 4.43Å; N85-F101 HydrophobicContact CB-CD1 3.44Å; N85-F101 VanDerWaalsContact CB-CD1 3.44Å; N85-F101 HydrophobicContact CB-CD2 3.94Å; N85-F101 HydrophobicContact CB-CE1 3.5Å; N85-F101 HydrophobicContact CB-CE2 4.01Å; N85-F101 HydrophobicContact CB-CG 3.67Å; N85-F101 HydrophobicContact CB-CZ 3.8Å; N85-F101 WeakPolarHBondContact ND2-CD1 3.44Å; C97-F101 WeakPolarHBondContact CB-O 3.38Å; P98-F101 HydrophobicContact CB-CD2 4.42Å; P98-F101 PolarHBondContact O-N 2.73Å; F101-C106 HydrophobicContact CB-CB 4.12Å; F101-H108 CarbonylContact C-O 3.49Å; F101-H108 WeakPolarHBondContact CA-O 3.35Å; F101-H108 WeakPolarHBondContact CB-O 2.98Å; F101-H108 WeakPolarHBondContact CD1-O 3.25Å; F101-D109 HydrophobicContact CD1-CB 3.77Å; F101-D109 HydrophobicContact CE1-CB 3.52Å; F101-D109 HydrophobicContact CZ-CB 4.45Å |
| 102 | Y | 90.6 | Very high | 89.1 | Confident | 101 Ų | 101 | 76 Ų | 76 | 40% | 0.396 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 176.3 | 177.6 | 76.3 | -85.3 | 0 | 0 | 0 | 110.8 | C106 E107 H108 V110 E113 | Y102-C106 CarbonylContact O-C 3.34Å; Y102-C106 WeakPolarHBondContact O-CA 3.49Å; Y102-E107 PolarHBondContact O-N 3.4Å; Y102-H108 HydrophobicContact CD1-CB 3.55Å; Y102-H108 HydrophobicContact CD2-CB 3.98Å; Y102-H108 AromaticContact CD2-CD2 3.98Å; Y102-H108 HydrophobicContact CE1-CB 3.29Å; Y102-H108 HydrophobicContact CE2-CB 3.72Å; Y102-H108 AromaticContact CE2-CD2 3.64Å; Y102-H108 AromaticContact CE2-CG 3.8Å; Y102-H108 HydrophobicContact CG-CB 3.9Å; Y102-H108 AromaticContact CZ-CG 3.77Å; Y102-H108 PolarHBondContact N-O 3.31Å; Y102-H108 WeakPolarHBondContact O-CB 3.29Å; Y102-H108 PolarHBondContact O-N 3.22Å; Y102-V110 HydrophobicContact CD1-CG2 3.64Å; Y102-V110 HydrophobicContact CE1-CG2 4.09Å; Y102-E113 WeakPolarHBondContact CE1-OE1 3.12Å; Y102-E113 VanDerWaalsContact OH-CD 3.3Å; Y102-E113 PolarHBondContact OH-OE1 2.86Å; Y102-E113 PolarHBondContact OH-OE2 3.39Å; Y102-E113 VanDerWaalsContact OH-OE2 3.1Å |
| 103 | G | 91.9 | Very high | 88.5 | Confident | 31 Ų | 31 | 75.7 Ų | 75.7 | 32% | 0.32 | 39% | 0.387 | S | S | . | . | S | Bend | trans | 106.7 | 171.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N105 C106 E107 | G103-N105 PolarHBondContact O-N 2.88Å; G103-C106 PolarHBondContact O-N 3.39Å; G103-E107 VanDerWaalsContact C-OE2 3.31Å; G103-E107 WeakPolarHBondContact CA-OE2 3.22Å |
| 104 | R | 93.1 | Very high | 87.9 | Confident | 201 Ų | 201 | 74.9 Ų | 74.9 | 76% | 0.758 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -32.3 | -175.8 | -178.8 | -177.7 | -69 | 140.9 | -1.9 | 111.2 | C95 E107 | C95-R104 WeakPolarHBondContact CB-O 3.48Å; C95-R104 PolarHBondContact SG-O 3.22Å; R104-E107 PolarHBondContact N-OE1 3.17Å; R104-E107 PolarHBondContact N-OE2 2.93Å |
| 105 | N | 93.9 | Very high | 87.4 | Confident | 57 Ų | 57 | 69.3 Ų | 69.3 | 31% | 0.305 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | 20.3 | -176.9 | -57.6 | 102.5 | 0 | 0 | 0 | 111.2 | C82 L84 G103 E107 | C82-N105 PolarHBondContact O-ND2 2.8Å; L84-N105 VanDerWaalsContact CB-O 3.28Å; L84-N105 WeakPolarHBondContact CB-O 3.47Å; L84-N105 PolarHBondContact N-O 3.4Å; G103-N105 PolarHBondContact O-N 2.88Å; N105-E107 VanDerWaalsContact C-OE2 3.25Å; N105-E107 WeakPolarHBondContact CA-OE2 3.44Å; N105-E107 PolarHBondContact N-OE2 3.41Å; N105-E107 PolarHBondContact O-N 3.28Å |
| 106 | C | 93.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 37% | 0.372 | C | S | . | . | S | Bend | trans | 56.4 | 34 | -174.9 | -45.5 | 0 | 0 | 0 | 0 | 113.5 | L84 N85 C97 F101 Y102 G103 | L84-C106 WeakPolarHBondContact O-CB 3.38Å; N85-C106 PolarHBondContact ND2-O 3.49Å; C97-C106 WeakPolarHBondContact CA-SG 3.07Å; C97-C106 HydrophobicContact CB-CB 3.88Å; C97-C106 WeakPolarHBondContact CB-SG 3.44Å; C97-C106 WeakPolarHBondContact SG-CA 3.01Å; C97-C106 WeakPolarHBondContact SG-CB 3.21Å; C97-C106 CovalentContact SG-SG 2.04Å; C97-C106 PolarHBondContact SG-SG 3.1Å; F101-C106 HydrophobicContact CB-CB 4.12Å; Y102-C106 CarbonylContact O-C 3.34Å; Y102-C106 WeakPolarHBondContact O-CA 3.49Å; G103-C106 PolarHBondContact O-N 3.39Å |
| 107 | E | 91.9 | Very high | 85.7 | Confident | 76 Ų | 76 | 74 Ų | 74 | 36% | 0.355 | 39% | 0.394 | S | S | . | . | trans | -76.1 | -23.6 | -175.3 | 65.9 | -84.9 | -157 | 0 | 0 | 113.7 | L84 Y102 G103 R104 N105 | L84-E107 HydrophobicContact CD1-CB 3.9Å; Y102-E107 PolarHBondContact O-N 3.4Å; G103-E107 VanDerWaalsContact C-OE2 3.31Å; G103-E107 WeakPolarHBondContact CA-OE2 3.22Å; R104-E107 PolarHBondContact N-OE1 3.17Å; R104-E107 PolarHBondContact N-OE2 2.93Å; N105-E107 VanDerWaalsContact C-OE2 3.25Å; N105-E107 WeakPolarHBondContact CA-OE2 3.44Å; N105-E107 PolarHBondContact N-OE2 3.41Å; N105-E107 PolarHBondContact O-N 3.28Å | ||
| 108 | H | 88.8 | Confident | 84.8 | Confident | 75 Ų | 75 | 73 Ų | 73 | 35% | 0.347 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 136.9 | -176.9 | -57.2 | -66.1 | 0 | 0 | 0 | 110.7 | F101 Y102 | F101-H108 CarbonylContact C-O 3.49Å; F101-H108 WeakPolarHBondContact CA-O 3.35Å; F101-H108 WeakPolarHBondContact CB-O 2.98Å; F101-H108 WeakPolarHBondContact CD1-O 3.25Å; Y102-H108 HydrophobicContact CD1-CB 3.55Å; Y102-H108 HydrophobicContact CD2-CB 3.98Å; Y102-H108 AromaticContact CD2-CD2 3.98Å; Y102-H108 HydrophobicContact CE1-CB 3.29Å; Y102-H108 HydrophobicContact CE2-CB 3.72Å; Y102-H108 AromaticContact CE2-CD2 3.64Å; Y102-H108 AromaticContact CE2-CG 3.8Å; Y102-H108 HydrophobicContact CG-CB 3.9Å; Y102-H108 AromaticContact CZ-CG 3.77Å; Y102-H108 PolarHBondContact N-O 3.31Å; Y102-H108 WeakPolarHBondContact O-CB 3.29Å; Y102-H108 PolarHBondContact O-N 3.22Å |
| 109 | D | 88.8 | Confident | 83.6 | Confident | 43 Ų | 43 | 74.6 Ų | 74.6 | 23% | 0.23 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 113.7 | 177.3 | -174.7 | -7.2 | 0 | 0 | 0 | 109.2 | F101 R111 K112 E113 | F101-D109 HydrophobicContact CD1-CB 3.77Å; F101-D109 HydrophobicContact CE1-CB 3.52Å; F101-D109 HydrophobicContact CZ-CB 4.45Å; D109-R111 PolarHBondContact O-N 3.03Å; D109-R111 VanDerWaalsContact O-N 3.13Å; D109-R111 WeakPolarHBondContact OD1-CA 3.46Å; D109-R111 VanDerWaalsContact OD1-CB 3.23Å; D109-R111 WeakPolarHBondContact OD1-CB 3.46Å; D109-R111 PolarHBondContact OD1-N 2.87Å; D109-K112 HydrophobicContact CB-CB 3.95Å; D109-K112 PolarHBondContact O-N 2.98Å; D109-E113 PolarHBondContact O-N 2.87Å |
| 110 | V | 81.1 | Confident | 82.5 | Confident | 62 Ų | 62 | 72.3 Ų | 72.3 | 38% | 0.376 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57 | -29 | 176.1 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | S100 Y102 E113 N114 | S100-V110 WeakPolarHBondContact O-CB 3.39Å; S100-V110 WeakPolarHBondContact O-CG2 3.23Å; S100-V110 PolarHBondContact O-N 3.49Å; Y102-V110 HydrophobicContact CD1-CG2 3.64Å; Y102-V110 HydrophobicContact CE1-CG2 4.09Å; V110-E113 PolarHBondContact O-N 2.83Å; V110-N114 WeakPolarHBondContact O-CB 3.45Å; V110-N114 PolarHBondContact O-N 3.43Å; V110-N114 VanDerWaalsContact O-N 3.09Å; V110-N114 PolarHBondContact O-ND2 3.24Å |
| 111 | R | 75 | Confident | 81.5 | Confident | 147 Ų | 147 | 77.3 Ų | 77.3 | 56% | 0.555 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -73.2 | -32.9 | 176 | -61.2 | -171.5 | 174.7 | 95 | 4.9 | 113.6 | S100 D109 E113 N114 | S100-R111 PolarHBondContact OG-NH1 2.03Å; S100-R111 PolarHBondContact OG-NH2 2.92Å; D109-R111 PolarHBondContact O-N 3.03Å; D109-R111 VanDerWaalsContact O-N 3.13Å; D109-R111 WeakPolarHBondContact OD1-CA 3.46Å; D109-R111 VanDerWaalsContact OD1-CB 3.23Å; D109-R111 WeakPolarHBondContact OD1-CB 3.46Å; D109-R111 PolarHBondContact OD1-N 2.87Å; R111-E113 PolarHBondContact O-N 3.24Å; R111-N114 VanDerWaalsContact CA-CG 3.5Å; R111-N114 WeakPolarHBondContact CA-ND2 3.15Å; R111-N114 WeakPolarHBondContact CA-OD1 3.45Å; R111-N114 PolarHBondContact O-N 3.43Å; R111-N114 PolarHBondContact O-OD1 2.96Å |
| 112 | K | 73.7 | Confident | 80.8 | Confident | 166 Ų | 166 | 78.7 Ų | 78.7 | 72% | 0.722 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -75.6 | -16.9 | 176.5 | -156.7 | 177 | -174.3 | -177 | 0 | 111.7 | D109 G136 | D109-K112 HydrophobicContact CB-CB 3.95Å; D109-K112 PolarHBondContact O-N 2.98Å; K112-G136 WeakPolarHBondContact O-CA 3.33Å |
| 113 | E | 69.6 | Low | 80.5 | Confident | 56 Ų | 56 | 79.5 Ų | 79.5 | 26% | 0.262 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -91.6 | -14.4 | 172.3 | -66.4 | 172.2 | -152.1 | 0 | 0 | 112.3 | Y102 D109 V110 R111 H120 H135 G136 | Y102-E113 WeakPolarHBondContact CE1-OE1 3.12Å; Y102-E113 VanDerWaalsContact OH-CD 3.3Å; Y102-E113 PolarHBondContact OH-OE1 2.86Å; Y102-E113 PolarHBondContact OH-OE2 3.39Å; Y102-E113 VanDerWaalsContact OH-OE2 3.1Å; D109-E113 PolarHBondContact O-N 2.87Å; V110-E113 PolarHBondContact O-N 2.83Å; R111-E113 PolarHBondContact O-N 3.24Å; E113-H120 PolarHBondContact O-CE1 2.84Å; E113-H120 PolarHBondContact O-NE2 3.24Å; E113-H135 CarbonylContact O-C 3.5Å; E113-G136 VanDerWaalsContact C-CA 3.5Å; E113-G136 WeakPolarHBondContact O-CA 3.5Å; E113-G136 PolarHBondContact O-N 3.09Å |
| 114 | N | 73.1 | Confident | 80.3 | Confident | 47 Ų | 47 | 81 Ų | 81 | 25% | 0.251 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -101.7 | 149.5 | 177.3 | 78.4 | 30.1 | 0 | 0 | 0 | 114 | V110 R111 G116 H120 G136 | V110-N114 WeakPolarHBondContact O-CB 3.45Å; V110-N114 PolarHBondContact O-N 3.43Å; V110-N114 VanDerWaalsContact O-N 3.09Å; V110-N114 PolarHBondContact O-ND2 3.24Å; R111-N114 VanDerWaalsContact CA-CG 3.5Å; R111-N114 WeakPolarHBondContact CA-ND2 3.15Å; R111-N114 WeakPolarHBondContact CA-OD1 3.45Å; R111-N114 PolarHBondContact O-N 3.43Å; R111-N114 PolarHBondContact O-OD1 2.96Å; N114-G116 PolarHBondContact O-N 2.8Å; N114-G116 PolarHBondContact OD1-N 3.27Å; N114-H120 WeakPolarHBondContact CA-NE2 3.46Å; N114-H120 WeakPolarHBondContact CB-NE2 3.35Å; N114-G136 WeakPolarHBondContact O-CA 3.18Å |
| 115 | C | 80.9 | Confident | 80 | Confident | 25 Ų | 25 | 76.3 Ų | 76.3 | 17% | 0.169 | 41% | 0.41 | C | S | . | . | B | Isolated β-bridge | trans | -91.1 | 36.8 | 178.6 | -58.5 | 0 | 0 | 0 | 0 | 110.4 | S117 V118 C133 G136 L138 | C115-S117 PolarHBondContact O-N 3Å; C115-V118 HydrophobicContact CB-CB 4.11Å; C115-C133 HydrophobicContact CB-CB 3.73Å; C115-C133 WeakPolarHBondContact CB-SG 3.47Å; C115-C133 PolarHBondContact N-SG 3.13Å; C115-C133 WeakPolarHBondContact SG-CA 3.38Å; C115-C133 WeakPolarHBondContact SG-CB 3.41Å; C115-C133 CovalentContact SG-SG 2.03Å; C115-C133 PolarHBondContact SG-SG 2.91Å; C115-G136 VanDerWaalsContact SG-C 3.54Å; C115-L138 HydrophobicContact CB-CD2 4.19Å; C115-L138 HydrophobicContact CB-CG 4.03Å |
| 116 | G | 79.4 | Confident | 79.5 | Confident | 53 Ų | 53 | 78.3 Ų | 78.3 | 55% | 0.546 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | -117.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N114 V118 | N114-G116 PolarHBondContact O-N 2.8Å; N114-G116 PolarHBondContact OD1-N 3.27Å; G116-V118 PolarHBondContact O-N 3.31Å |
| 117 | S | 75.3 | Confident | 79.1 | Confident | 127 Ų | 127 | 87.2 Ų | 87.2 | 89% | 0.888 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -4.7 | -176.8 | -46.8 | 0 | 0 | 0 | 0 | 114.5 | C115 P119 | C115-S117 PolarHBondContact O-N 3Å; S117-P119 WeakPolarHBondContact O-CD 3.27Å |
| 118 | V | 76.1 | Confident | 78.9 | Confident | 25 Ų | 25 | 85.7 Ų | 85.7 | 15% | 0.152 | 45% | 0.452 | C | S | . | . | B | Isolated β-bridge | trans | -87.1 | 114.7 | -179.1 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | C115 G116 L124 C133 L138 | C115-V118 HydrophobicContact CB-CB 4.11Å; G116-V118 PolarHBondContact O-N 3.31Å; V118-L124 HydrophobicContact CG1-CB 4.42Å; V118-L124 HydrophobicContact CG2-CD2 3.99Å; V118-C133 HydrophobicContact CG1-CB 4.43Å; V118-L138 HydrophobicContact CG1-CD2 4.18Å; V118-L138 HydrophobicContact CG2-CD2 4.36Å |
| 119 | P | 68.9 | Low | 79 | Confident | 77 Ų | 77 | 83.4 Ų | 83.4 | 50% | 0.5 | 44% | 0.444 | S | S | . | . | trans | -65.3 | 145.1 | -179.5 | 23.5 | -29.2 | 0 | 0 | 0 | 111.2 | S117 T122 | S117-P119 WeakPolarHBondContact O-CD 3.27Å; P119-T122 HydrophobicContact CG-CG2 4.42Å | ||
| 120 | H | 67.4 | Low | 79 | Confident | 86 Ų | 86 | 83.5 Ų | 83.5 | 40% | 0.398 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 147.8 | 170 | -68.3 | -173.3 | 0 | 0 | 0 | 109.3 | E113 N114 T122 | E113-H120 PolarHBondContact O-CE1 2.84Å; E113-H120 PolarHBondContact O-NE2 3.24Å; N114-H120 WeakPolarHBondContact CA-NE2 3.46Å; N114-H120 WeakPolarHBondContact CB-NE2 3.35Å; H120-T122 PolarHBondContact O-N 3.1Å; H120-T122 VanDerWaalsContact O-N 3.15Å |
| 121 | D | 66.7 | Low | 79.4 | Confident | 126 Ų | 126 | 80.5 Ų | 80.5 | 67% | 0.674 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 8.3 | 179.8 | -58.1 | -49.6 | 0 | 0 | 0 | 117.8 | K132 | D121-K132 IonicContact OD1-NZ 2.88Å; D121-K132 PolarHBondContact OD1-NZ 3.21Å |
| 122 | T | 77.9 | Confident | 80.1 | Confident | 71 Ų | 71 | 75.8 Ų | 75.8 | 44% | 0.436 | 41% | 0.41 | S | S | . | . | trans | -107.7 | 136.4 | 170.2 | -52.3 | 0 | 0 | 0 | 0 | 110.7 | P119 H120 | P119-T122 HydrophobicContact CG-CG2 4.42Å; H120-T122 PolarHBondContact O-N 3.1Å; H120-T122 VanDerWaalsContact O-N 3.15Å | ||
| 123 | W | 83.3 | Confident | 80.7 | Confident | 119 Ų | 119 | 68.2 Ų | 68.2 | 45% | 0.451 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 127.1 | 169.8 | -69.6 | 100.1 | 0 | 0 | 0 | 109.9 | P125 L130 C131 K132 F141 | W123-P125 WeakPolarHBondContact O-CD 3.36Å; W123-L130 HydrophobicContact CB-CD1 3.89Å; W123-L130 HydrophobicContact CB-CD2 4.15Å; W123-L130 HydrophobicContact CB-CG 4Å; W123-L130 HydrophobicContact CD2-CD2 3.77Å; W123-L130 HydrophobicContact CD2-CG 4Å; W123-L130 HydrophobicContact CE3-CB 4.36Å; W123-L130 HydrophobicContact CE3-CD2 3.69Å; W123-L130 HydrophobicContact CE3-CG 3.54Å; W123-L130 HydrophobicContact CG-CD2 4.02Å; W123-L130 HydrophobicContact CG-CG 4.25Å; W123-L130 HydrophobicContact CZ3-CD2 4.27Å; W123-L130 HydrophobicContact CZ3-CG 4.24Å; W123-C131 CarbonylContact C-O 3.51Å; W123-C131 WeakPolarHBondContact CA-O 3.33Å; W123-K132 HydrophobicContact CD2-CB 4.23Å; W123-K132 HydrophobicContact CE3-CB 3.68Å; W123-K132 HydrophobicContact CH2-CB 4.15Å; W123-K132 HydrophobicContact CZ2-CD 4.29Å; W123-K132 HydrophobicContact CZ3-CB 3.65Å; W123-F141 AromaticContact CH2-CD2 3.86Å; W123-F141 HydrophobicContact CH2-CD2 3.86Å; W123-F141 AromaticContact CH2-CE2 3.71Å; W123-F141 HydrophobicContact CH2-CE2 3.71Å; W123-F141 AromaticContact CZ3-CD2 3.67Å; W123-F141 HydrophobicContact CZ3-CD2 3.67Å; W123-F141 AromaticContact CZ3-CE2 3.83Å; W123-F141 HydrophobicContact CZ3-CE2 3.83Å |
| 124 | L | 87.8 | Confident | 81.3 | Confident | 63 Ų | 63 | 72.8 Ų | 72.8 | 33% | 0.33 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 108.3 | 174.4 | -179.4 | 67.1 | 0 | 0 | 0 | 109.2 | V118 K126 C131 | V118-L124 HydrophobicContact CG1-CB 4.42Å; V118-L124 HydrophobicContact CG2-CD2 3.99Å; L124-K126 PolarHBondContact O-N 2.93Å; L124-C131 HydrophobicContact CB-CB 4.43Å; L124-C131 PolarHBondContact N-O 3.07Å; L124-C131 PolarHBondContact O-N 2.78Å |
| 125 | P | 86.1 | Confident | 81.6 | Confident | 102 Ų | 102 | 77.1 Ų | 77.1 | 66% | 0.662 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 129.8 | 174.4 | 28.3 | -32.8 | 0 | 0 | 0 | 110.4 | W123 L130 | W123-P125 WeakPolarHBondContact O-CD 3.36Å; P125-L130 HydrophobicContact CB-CD1 4.21Å |
| 126 | K | 85.2 | Confident | 81.5 | Confident | 99 Ų | 99 | 77.4 Ų | 77.4 | 43% | 0.43 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 166.9 | 165.9 | -63.5 | -168.4 | 179.2 | -178 | 0 | 108.6 | L124 C128 S129 | L124-K126 PolarHBondContact O-N 2.93Å; K126-C128 VanDerWaalsContact C-N 3.32Å; K126-C128 PolarHBondContact O-N 3.48Å; K126-C128 VanDerWaalsContact O-N 3.1Å; K126-S129 CarbonylContact C-O 3.59Å; K126-S129 WeakPolarHBondContact CA-O 3.48Å; K126-S129 WeakPolarHBondContact CB-O 3.41Å; K126-S129 PolarHBondContact N-O 3.27Å; K126-S129 PolarHBondContact O-N 3.06Å |
| 127 | K | 84.1 | Confident | 81.6 | Confident | 187 Ų | 187 | 79.9 Ų | 79.9 | 81% | 0.813 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42 | -53.7 | -171.6 | -169.1 | -179.1 | 179.3 | -175.4 | 0 | 114 | C149 | K127-C149 PolarHBondContact O-SG 3.42Å; K127-C149 VanDerWaalsContact O-SG 3.4Å |
| 128 | C | 88.9 | Confident | 82.2 | Confident | 43 Ų | 43 | 76.7 Ų | 76.7 | 29% | 0.291 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | 21.7 | -178.6 | -63.5 | 0 | 0 | 0 | 0 | 113 | K126 P142 Q143 C149 | K126-C128 VanDerWaalsContact C-N 3.32Å; K126-C128 PolarHBondContact O-N 3.48Å; K126-C128 VanDerWaalsContact O-N 3.1Å; C128-P142 WeakPolarHBondContact O-CA 3.4Å; C128-Q143 PolarHBondContact O-N 3Å; C128-C149 WeakPolarHBondContact CA-SG 3.49Å; C128-C149 HydrophobicContact CB-CB 3.53Å; C128-C149 WeakPolarHBondContact CB-SG 3.02Å; C128-C149 WeakPolarHBondContact SG-CA 3.11Å; C128-C149 WeakPolarHBondContact SG-CB 3.03Å; C128-C149 CovalentContact SG-SG 2.03Å; C128-C149 PolarHBondContact SG-SG 3.33Å |
| 129 | S | 89.3 | Confident | 82.8 | Confident | 28 Ų | 28 | 81.8 Ų | 81.8 | 20% | 0.196 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 148.5 | -178.5 | 56.7 | 0 | 0 | 0 | 0 | 112 | K126 F141 | K126-S129 CarbonylContact C-O 3.59Å; K126-S129 WeakPolarHBondContact CA-O 3.48Å; K126-S129 WeakPolarHBondContact CB-O 3.41Å; K126-S129 PolarHBondContact N-O 3.27Å; K126-S129 PolarHBondContact O-N 3.06Å; S129-F141 CarbonylContact C-O 3.48Å; S129-F141 WeakPolarHBondContact CA-O 3.07Å; S129-F141 WeakPolarHBondContact CB-O 3.43Å |
| 130 | L | 89.6 | Confident | 83.8 | Confident | 44 Ų | 44 | 80.9 Ų | 80.9 | 23% | 0.23 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 118.1 | 174.8 | -166.1 | 67.6 | 0 | 0 | 0 | 108.3 | W123 P125 C140 F141 | W123-L130 HydrophobicContact CB-CD1 3.89Å; W123-L130 HydrophobicContact CB-CD2 4.15Å; W123-L130 HydrophobicContact CB-CG 4Å; W123-L130 HydrophobicContact CD2-CD2 3.77Å; W123-L130 HydrophobicContact CD2-CG 4Å; W123-L130 HydrophobicContact CE3-CB 4.36Å; W123-L130 HydrophobicContact CE3-CD2 3.69Å; W123-L130 HydrophobicContact CE3-CG 3.54Å; W123-L130 HydrophobicContact CG-CD2 4.02Å; W123-L130 HydrophobicContact CG-CG 4.25Å; W123-L130 HydrophobicContact CZ3-CD2 4.27Å; W123-L130 HydrophobicContact CZ3-CG 4.24Å; P125-L130 HydrophobicContact CB-CD1 4.21Å; L130-C140 WeakPolarHBondContact O-CA 3.26Å; L130-F141 PolarHBondContact N-O 3.46Å; L130-F141 PolarHBondContact O-N 3.35Å |
| 131 | C | 89.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 142 | -175 | -55 | 0 | 0 | 0 | 0 | 111.7 | W123 L124 L138 R139 C140 | W123-C131 CarbonylContact C-O 3.51Å; W123-C131 WeakPolarHBondContact CA-O 3.33Å; L124-C131 HydrophobicContact CB-CB 4.43Å; L124-C131 PolarHBondContact N-O 3.07Å; L124-C131 PolarHBondContact O-N 2.78Å; C131-L138 HydrophobicContact CB-CD2 4.21Å; C131-R139 CarbonylContact C-O 3.5Å; C131-R139 VanDerWaalsContact CA-O 3.25Å; C131-R139 WeakPolarHBondContact CA-O 3.47Å; C131-C140 HydrophobicContact CB-CB 4.06Å; C131-C140 WeakPolarHBondContact CB-SG 2.99Å; C131-C140 WeakPolarHBondContact SG-CB 3.36Å; C131-C140 CovalentContact SG-SG 2.04Å; C131-C140 PolarHBondContact SG-SG 3.49Å |
| 132 | K | 88.8 | Confident | 85.8 | Confident | 48 Ų | 48 | 80.6 Ų | 80.6 | 21% | 0.209 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 142.4 | 168.7 | -165.3 | 177.1 | -179.7 | -176 | 0 | 109.6 | D121 W123 R139 | D121-K132 IonicContact OD1-NZ 2.88Å; D121-K132 PolarHBondContact OD1-NZ 3.21Å; W123-K132 HydrophobicContact CD2-CB 4.23Å; W123-K132 HydrophobicContact CE3-CB 3.68Å; W123-K132 HydrophobicContact CH2-CB 4.15Å; W123-K132 HydrophobicContact CZ2-CD 4.29Å; W123-K132 HydrophobicContact CZ3-CB 3.65Å; K132-R139 PolarHBondContact N-O 3.03Å; K132-R139 PolarHBondContact O-N 3.45Å |
| 133 | C | 87.4 | Confident | 86.1 | Confident | 6 Ų | 6 | 80.6 Ų | 80.6 | 4% | 0.041 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 129.4 | 169.7 | -171.7 | 0 | 0 | 0 | 0 | 110.4 | C115 V118 L138 | C115-C133 HydrophobicContact CB-CB 3.73Å; C115-C133 WeakPolarHBondContact CB-SG 3.47Å; C115-C133 PolarHBondContact N-SG 3.13Å; C115-C133 WeakPolarHBondContact SG-CA 3.38Å; C115-C133 WeakPolarHBondContact SG-CB 3.41Å; C115-C133 CovalentContact SG-SG 2.03Å; C115-C133 PolarHBondContact SG-SG 2.91Å; V118-C133 HydrophobicContact CG1-CB 4.43Å; C133-L138 HydrophobicContact CB-CD2 4.5Å |
| 134 | W | 81.3 | Confident | 85.7 | Confident | 153 Ų | 153 | 76 Ų | 76 | 58% | 0.58 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 111.3 | 175.1 | -172.3 | -87 | 0 | 0 | 0 | 109.6 | G136 Q137 R139 | W134-G136 VanDerWaalsContact C-N 3.32Å; W134-G136 PolarHBondContact O-N 3.24Å; W134-Q137 PolarHBondContact N-O 3.03Å; W134-Q137 PolarHBondContact O-N 3.48Å; W134-R139 HydrophobicContact CB-CG 4.06Å |
| 135 | H | 78.9 | Confident | 85 | Confident | 138 Ų | 138 | 82.5 Ų | 82.5 | 64% | 0.639 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 50.8 | 178.9 | -58.8 | 172.1 | 0 | 0 | 0 | 113.3 | E113 Q137 | E113-H135 CarbonylContact O-C 3.5Å; H135-Q137 PolarHBondContact O-N 3.11Å |
| 136 | G | 79.3 | Confident | 84.6 | Confident | 30 Ų | 30 | 80.7 Ų | 80.7 | 31% | 0.309 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 0.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | K112 E113 N114 C115 W134 | K112-G136 WeakPolarHBondContact O-CA 3.33Å; E113-G136 VanDerWaalsContact C-CA 3.5Å; E113-G136 WeakPolarHBondContact O-CA 3.5Å; E113-G136 PolarHBondContact O-N 3.09Å; N114-G136 WeakPolarHBondContact O-CA 3.18Å; C115-G136 VanDerWaalsContact SG-C 3.54Å; W134-G136 VanDerWaalsContact C-N 3.32Å; W134-G136 PolarHBondContact O-N 3.24Å |
| 137 | Q | 82.4 | Confident | 84.4 | Confident | 105 Ų | 105 | 82 Ų | 82 | 49% | 0.491 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 131 | 178.9 | -164.9 | 168 | 14.4 | 0 | 0 | 111.7 | W134 H135 R139 | W134-Q137 PolarHBondContact N-O 3.03Å; W134-Q137 PolarHBondContact O-N 3.48Å; H135-Q137 PolarHBondContact O-N 3.11Å; Q137-R139 VanDerWaalsContact CD-NH2 3.27Å; Q137-R139 PolarHBondContact O-N 3.34Å |
| 138 | L | 86.6 | Confident | 84.2 | Confident | 60 Ų | 60 | 76.3 Ų | 76.3 | 31% | 0.314 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 117.8 | 170 | -77.7 | 170.7 | 0 | 0 | 0 | 109.7 | C115 V118 C131 C133 | C115-L138 HydrophobicContact CB-CD2 4.19Å; C115-L138 HydrophobicContact CB-CG 4.03Å; V118-L138 HydrophobicContact CG1-CD2 4.18Å; V118-L138 HydrophobicContact CG2-CD2 4.36Å; C131-L138 HydrophobicContact CB-CD2 4.21Å; C133-L138 HydrophobicContact CB-CD2 4.5Å |
| 139 | R | 89.1 | Confident | 83.8 | Confident | 132 Ų | 132 | 74.9 Ų | 74.9 | 50% | 0.498 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 117.9 | 174 | -67.1 | -73.6 | 160 | 152.9 | -4.9 | 108.3 | C131 K132 W134 Q137 | C131-R139 CarbonylContact C-O 3.5Å; C131-R139 VanDerWaalsContact CA-O 3.25Å; C131-R139 WeakPolarHBondContact CA-O 3.47Å; K132-R139 PolarHBondContact N-O 3.03Å; K132-R139 PolarHBondContact O-N 3.45Å; W134-R139 HydrophobicContact CB-CG 4.06Å; Q137-R139 VanDerWaalsContact CD-NH2 3.27Å; Q137-R139 PolarHBondContact O-N 3.34Å |
| 140 | C | 90.6 | Very high | 83 | Confident | 59 Ų | 59 | 80.1 Ų | 80.1 | 40% | 0.399 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.1 | -173.3 | -58.2 | 0 | 0 | 0 | 0 | 111 | L130 C131 | L130-C140 WeakPolarHBondContact O-CA 3.26Å; C131-C140 HydrophobicContact CB-CB 4.06Å; C131-C140 WeakPolarHBondContact CB-SG 2.99Å; C131-C140 WeakPolarHBondContact SG-CB 3.36Å; C131-C140 CovalentContact SG-SG 2.04Å; C131-C140 PolarHBondContact SG-SG 3.49Å |
| 141 | F | 88.7 | Confident | 81.9 | Confident | 124 Ų | 124 | 81.1 Ų | 81.1 | 54% | 0.544 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 125.5 | 173.4 | -60.2 | -89 | 0 | 0 | 0 | 108.5 | W123 S129 L130 Q143 | W123-F141 AromaticContact CH2-CD2 3.86Å; W123-F141 HydrophobicContact CH2-CD2 3.86Å; W123-F141 AromaticContact CH2-CE2 3.71Å; W123-F141 HydrophobicContact CH2-CE2 3.71Å; W123-F141 AromaticContact CZ3-CD2 3.67Å; W123-F141 HydrophobicContact CZ3-CD2 3.67Å; W123-F141 AromaticContact CZ3-CE2 3.83Å; W123-F141 HydrophobicContact CZ3-CE2 3.83Å; S129-F141 CarbonylContact C-O 3.48Å; S129-F141 WeakPolarHBondContact CA-O 3.07Å; S129-F141 WeakPolarHBondContact CB-O 3.43Å; L130-F141 PolarHBondContact N-O 3.46Å; L130-F141 PolarHBondContact O-N 3.35Å; F141-Q143 PolarHBondContact O-N 2.95Å |
| 142 | P | 87.9 | Confident | 80.4 | Confident | 82 Ų | 82 | 87.4 Ų | 87.4 | 53% | 0.532 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 135.3 | 176.9 | 27.1 | -32.1 | 0 | 0 | 0 | 109.7 | C128 | C128-P142 WeakPolarHBondContact O-CA 3.4Å |
| 143 | Q | 84.4 | Confident | 78.6 | Confident | 71 Ų | 71 | 91.8 Ų | 91.8 | 33% | 0.332 | 50% | 0.498 | S | S | . | . | trans | -111.1 | 71.9 | 179.6 | -147.2 | 163 | 19.8 | 0 | 0 | 108.2 | C128 F141 F145 L146 C149 | C128-Q143 PolarHBondContact O-N 3Å; F141-Q143 PolarHBondContact O-N 2.95Å; Q143-F145 PolarHBondContact O-N 2.92Å; Q143-F145 VanDerWaalsContact O-N 3.13Å; Q143-L146 HydrophobicContact CB-CD1 3.98Å; Q143-L146 HydrophobicContact CB-CG 4.14Å; Q143-L146 HydrophobicContact CG-CD1 4.17Å; Q143-L146 HydrophobicContact CG-CG 4Å; Q143-L146 PolarHBondContact O-N 2.04Å; Q143-L146 VanDerWaalsContact O-N 3.14Å; Q143-C149 WeakPolarHBondContact O-CB 3.43Å | ||
| 144 | A | 74.5 | Confident | 76.7 | Confident | 23 Ų | 23 | 98.1 Ų | 98.1 | 19% | 0.19 | 53% | 0.529 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L146 M153 | A144-L146 VanDerWaalsContact C-N 3.26Å; A144-L146 PolarHBondContact O-N 3.39Å; A144-M153 HydrophobicContact CB-CE 4.06Å |
| 145 | F | 71.7 | Confident | 75 | Confident | 198 Ų | 198 | 95.5 Ų | 95.5 | 87% | 0.868 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -6.4 | 178.4 | -49.8 | -73.4 | 0 | 0 | 0 | 114 | Q143 | Q143-F145 PolarHBondContact O-N 2.92Å; Q143-F145 VanDerWaalsContact O-N 3.13Å |
| 146 | L | 79.4 | Confident | 73.5 | Confident | 64 Ų | 64 | 96.5 Ų | 96.5 | 34% | 0.335 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -80 | 142.3 | 176.5 | -70 | 178.2 | 0 | 0 | 0 | 110.9 | Q143 A144 G148 C149 | Q143-L146 HydrophobicContact CB-CD1 3.98Å; Q143-L146 HydrophobicContact CB-CG 4.14Å; Q143-L146 HydrophobicContact CG-CD1 4.17Å; Q143-L146 HydrophobicContact CG-CG 4Å; Q143-L146 PolarHBondContact O-N 2.04Å; Q143-L146 VanDerWaalsContact O-N 3.14Å; A144-L146 VanDerWaalsContact C-N 3.26Å; A144-L146 PolarHBondContact O-N 3.39Å; L146-G148 PolarHBondContact O-N 2.89Å; L146-C149 HydrophobicContact CB-CB 4.18Å; L146-C149 VanDerWaalsContact O-CB 3.32Å; L146-C149 WeakPolarHBondContact O-CB 3.43Å; L146-C149 PolarHBondContact O-N 2.92Å |
| 147 | P | 79.4 | Confident | 71.7 | Confident | 128 Ų | 128 | 103.1 Ų | 103.1 | 83% | 0.831 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | 124 | 178.9 | -22.2 | 31.5 | 0 | 0 | 0 | 111.6 | ||
| 148 | G | 80.5 | Confident | 70.1 | Confident | 66 Ų | 66 | 104.8 Ų | 104.8 | 68% | 0.68 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.7 | 15.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | L146 | L146-G148 PolarHBondContact O-N 2.89Š|
| 149 | C | 79.4 | Confident | 67.8 | Low | 14 Ų | 14 | 108.2 Ų | 108.2 | 10% | 0.095 | 59% | 0.589 | C | S | . | * | trans | -111.8 | 13.2 | 174.5 | -63.7 | 0 | 0 | 0 | 0 | 113.5 | K127 C128 Q143 L146 G151 | K127-C149 PolarHBondContact O-SG 3.42Å; K127-C149 VanDerWaalsContact O-SG 3.4Å; C128-C149 WeakPolarHBondContact CA-SG 3.49Å; C128-C149 HydrophobicContact CB-CB 3.53Å; C128-C149 WeakPolarHBondContact CB-SG 3.02Å; C128-C149 WeakPolarHBondContact SG-CA 3.11Å; C128-C149 WeakPolarHBondContact SG-CB 3.03Å; C128-C149 CovalentContact SG-SG 2.03Å; C128-C149 PolarHBondContact SG-SG 3.33Å; Q143-C149 WeakPolarHBondContact O-CB 3.43Å; L146-C149 HydrophobicContact CB-CB 4.18Å; L146-C149 VanDerWaalsContact O-CB 3.32Å; L146-C149 WeakPolarHBondContact O-CB 3.43Å; L146-C149 PolarHBondContact O-N 2.92Å; C149-G151 PolarHBondContact O-N 3.23Å; C149-G151 VanDerWaalsContact O-N 3.17Å | ||
| 150 | D | 74.2 | Confident | 65.3 | Low | 138 Ų | 138 | 106 Ų | 106 | 74% | 0.738 | 60% | 0.599 | S | S | * | * | trans | -67.6 | 109.1 | 175.9 | -52.2 | -49.1 | 0 | 0 | 0 | 109.2 | ||||
| 151 | G | 65.7 | Low | 63 | Low | 65 Ų | 65 | 107.9 Ų | 107.9 | 67% | 0.67 | 61% | 0.612 | S | S | * | * | trans | 128 | 34.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | C149 | C149-G151 PolarHBondContact O-N 3.23Å; C149-G151 VanDerWaalsContact O-N 3.17Å | ||
| 152 | L | 58.6 | Low | 60.8 | Low | 131 Ų | 131 | 113.3 Ų | 113.3 | 69% | 0.686 | 63% | 0.629 | S | S | * | * | trans | -133 | 54.8 | 158.2 | -71.1 | 173.9 | 0 | 0 | 0 | 111.4 | M154 | L152-M154 HydrophobicContact CD2-CG 4.43Å; L152-M154 HydrophobicContact CD2-SD 4.03Å; L152-M154 PolarHBondContact O-N 3.2Å | ||
| 153 | M | 50 | Low | 58.5 | Low | 140 Ų | 140 | 114.1 Ų | 114.1 | 69% | 0.69 | 63% | 0.633 | S | S | * | * | trans | -81.5 | 84.4 | 146.2 | -68.1 | -72 | 152.4 | 0 | 0 | 105.6 | A144 D155 | A144-M153 HydrophobicContact CB-CE 4.06Å; M153-D155 PolarHBondContact O-N 3.39Å | ||
| 154 | M | 48.4 | Very low | 56.5 | Low | 139 Ų | 139 | 116.1 Ų | 116.1 | 69% | 0.685 | 65% | 0.652 | S | S | * | * | trans | -71.7 | 87.9 | 154.2 | -67 | 148.1 | 91.4 | 0 | 0 | 104.4 | L152 E156 | L152-M154 HydrophobicContact CD2-CG 4.43Å; L152-M154 HydrophobicContact CD2-SD 4.03Å; L152-M154 PolarHBondContact O-N 3.2Å; M154-E156 PolarHBondContact O-N 2.78Å | ||
| 155 | D | 45.3 | Very low | 55.2 | Low | 99 Ų | 99 | 123.2 Ų | 123.2 | 53% | 0.529 | 68% | 0.681 | S | S | . | * | trans | -65.1 | 80.8 | 160.1 | -179.8 | 21.3 | 0 | 0 | 0 | 107.6 | M153 H157 L158 | M153-D155 PolarHBondContact O-N 3.39Å; D155-H157 VanDerWaalsContact C-N 3.34Å; D155-H157 PolarHBondContact OD1-N 3Å; D155-L158 PolarHBondContact OD1-N 3.29Å; D155-L158 WeakPolarHBondContact OD2-CD1 2.98Å; D155-L158 VanDerWaalsContact OD2-CG 3.22Å; D155-L158 WeakPolarHBondContact OD2-CG 3.42Å | ||
| 156 | E | 47.7 | Very low | 54.3 | Low | 159 Ų | 159 | 120.7 Ų | 120.7 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | trans | -105.4 | 34.3 | 162.7 | -108.9 | -179.5 | 122.9 | 0 | 0 | 109.8 | M154 | M154-E156 PolarHBondContact O-N 2.78Š| ||
| 157 | H | 41.9 | Very low | 53.3 | Low | 168 Ų | 168 | 122.7 Ų | 122.7 | 78% | 0.778 | 69% | 0.693 | S | S | * | * | trans | -122.5 | 11.3 | 166.3 | -75.5 | -64.4 | 0 | 0 | 0 | 114.1 | D155 V159 A160 | D155-H157 VanDerWaalsContact C-N 3.34Å; D155-H157 PolarHBondContact OD1-N 3Å; H157-V159 PolarHBondContact O-N 3.44Å; H157-A160 PolarHBondContact O-N 3.04Å | ||
| 158 | L | 47.8 | Very low | 52.1 | Low | 141 Ų | 141 | 121.5 Ų | 121.5 | 74% | 0.738 | 69% | 0.685 | S | S | * | * | trans | -72.3 | 71.3 | 148.3 | -74.1 | 177.4 | 0 | 0 | 0 | 110.7 | D155 | D155-L158 PolarHBondContact OD1-N 3.29Å; D155-L158 WeakPolarHBondContact OD2-CD1 2.98Å; D155-L158 VanDerWaalsContact OD2-CG 3.22Å; D155-L158 WeakPolarHBondContact OD2-CG 3.42Å | ||
| 159 | V | 39.4 | Very low | 51.3 | Low | 132 Ų | 132 | 121.5 Ų | 121.5 | 80% | 0.8 | 68% | 0.675 | S | S | * | * | trans | -169.2 | 65.1 | 135 | 156.9 | 0 | 0 | 0 | 0 | 104.6 | H157 S161 | H157-V159 PolarHBondContact O-N 3.44Å; V159-S161 PolarHBondContact O-N 2.93Å | ||
| 160 | A | 36.3 | Very low | 50.2 | Low | 86 Ų | 86 | 124 Ų | 124 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -57.7 | 119.4 | 143.2 | 0 | 0 | 0 | 0 | 0 | 105.4 | H157 R162 | H157-A160 PolarHBondContact O-N 3.04Å; A160-R162 PolarHBondContact O-N 2.78Å |
| 161 | S | 42.3 | Very low | 49.3 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 69% | 0.685 | 70% | 0.699 | S | S | * | * | trans | -43.5 | 99.4 | 178.8 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | V159 T163 | V159-S161 PolarHBondContact O-N 2.93Å; S161-T163 PolarHBondContact O-N 3.43Å; S161-T163 VanDerWaalsContact O-N 3.07Å | ||
| 162 | R | 41.8 | Very low | 48.9 | Very low | 237 Ų | 237 | 127.9 Ų | 127.9 | 89% | 0.894 | 69% | 0.689 | S | S | * | * | trans | -70.1 | 96 | 147.6 | -75.3 | -174 | -173.8 | 168.4 | 3 | 104.5 | A160 P164 | A160-R162 PolarHBondContact O-N 2.78Å; R162-P164 WeakPolarHBondContact O-CD 3.4Å | ||
| 163 | T | 40.2 | Very low | 49.1 | Very low | 100 Ų | 100 | 124.3 Ų | 124.3 | 61% | 0.613 | 68% | 0.678 | S | S | * | * | trans | -45.7 | 126.3 | 149.8 | 33.5 | 0 | 0 | 0 | 0 | 106.5 | S161 E165 | S161-T163 PolarHBondContact O-N 3.43Å; S161-T163 VanDerWaalsContact O-N 3.07Å; T163-E165 PolarHBondContact O-N 3.34Å | ||
| 164 | P | 41.8 | Very low | 49.5 | Very low | 113 Ų | 113 | 125 Ų | 125 | 73% | 0.734 | 68% | 0.678 | S | S | * | * | trans | -56.6 | 111.8 | 161.8 | -15.9 | 28.8 | 0 | 0 | 0 | 105.1 | R162 L166 | R162-P164 WeakPolarHBondContact O-CD 3.4Å; P164-L166 PolarHBondContact O-N 3.45Å | ||
| 165 | E | 46.6 | Very low | 50.3 | Low | 171 Ų | 171 | 124.9 Ų | 124.9 | 80% | 0.799 | 68% | 0.677 | S | S | * | * | trans | -54.4 | 96.8 | 160.8 | -76.7 | -78.3 | 138.4 | 0 | 0 | 105.2 | T163 | T163-E165 PolarHBondContact O-N 3.34Š| ||
| 166 | L | 52.7 | Low | 51.4 | Low | 146 Ų | 146 | 125.3 Ų | 125.3 | 76% | 0.764 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 125.7 | 170.6 | -121.3 | 123.7 | 0 | 0 | 0 | 105 | P164 P168 | P164-L166 PolarHBondContact O-N 3.45Å; L166-P168 VanDerWaalsContact O-N 3.16Å |
| 167 | P | 58.8 | Low | 52.4 | Low | 105 Ų | 105 | 120.1 Ų | 120.1 | 68% | 0.682 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 129.3 | 175.6 | 22 | -30.4 | 0 | 0 | 0 | 107.4 | S169 | P167-S169 PolarHBondContact O-N 3.1Š|
| 168 | P | 54.9 | Low | 53.6 | Low | 103 Ų | 103 | 114 Ų | 114 | 67% | 0.669 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 120.8 | 179.2 | 15.3 | -25.4 | 0 | 0 | 0 | 107.7 | L166 A170 | L166-P168 VanDerWaalsContact O-N 3.16Å; P168-A170 PolarHBondContact O-N 3.35Å |
| 169 | S | 62.8 | Low | 54.7 | Low | 67 Ų | 67 | 111.6 Ų | 111.6 | 47% | 0.469 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -54.2 | 143.5 | 179 | 78.9 | 0 | 0 | 0 | 0 | 108.4 | P167 R171 T172 | P167-S169 PolarHBondContact O-N 3.1Å; S169-R171 PolarHBondContact O-N 3.42Å; S169-T172 WeakPolarHBondContact O-CB 3.47Å; S169-T172 PolarHBondContact O-N 3.13Å; S169-T172 PolarHBondContact O-OG1 2.75Å; S169-T172 PolarHBondContact OG-OG1 2.72Å; S169-T172 VanDerWaalsContact OG-OG1 3.04Å |
| 170 | A | 57 | Low | 56 | Low | 67 Ų | 67 | 109.1 Ų | 109.1 | 55% | 0.554 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -49.3 | -33.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P168 T172 A173 F174 | P168-A170 PolarHBondContact O-N 3.35Å; A170-T172 PolarHBondContact O-N 2.91Å; A170-A173 PolarHBondContact O-N 3.43Å; A170-F174 HydrophobicContact CB-CD2 4.46Å; A170-F174 HydrophobicContact CB-CE2 4.26Å; A170-F174 WeakPolarHBondContact O-CD2 3.49Å; A170-F174 PolarHBondContact O-N 2.76Å; A170-F174 VanDerWaalsContact O-N 3.1Å |
| 171 | R | 54.5 | Low | 57.5 | Low | 209 Ų | 209 | 110.6 Ų | 110.6 | 79% | 0.789 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -59.1 | -40 | 174.4 | -74.6 | -177 | -179.3 | 167 | 0.6 | 113.7 | S169 F174 M175 | S169-R171 PolarHBondContact O-N 3.42Å; R171-F174 PolarHBondContact O-N 3.22Å; R171-M175 VanDerWaalsContact O-CG 3.26Å; R171-M175 WeakPolarHBondContact O-CG 3.41Å; R171-M175 PolarHBondContact O-N 3.15Å; R171-M175 VanDerWaalsContact O-N 3.13Å |
| 172 | T | 59.1 | Low | 58.3 | Low | 74 Ų | 74 | 109.1 Ų | 109.1 | 45% | 0.454 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.5 | -36.4 | -178.8 | -39.1 | 0 | 0 | 0 | 0 | 111.5 | S169 A170 L176 | S169-T172 WeakPolarHBondContact O-CB 3.47Å; S169-T172 PolarHBondContact O-N 3.13Å; S169-T172 PolarHBondContact O-OG1 2.75Å; S169-T172 PolarHBondContact OG-OG1 2.72Å; S169-T172 VanDerWaalsContact OG-OG1 3.04Å; A170-T172 PolarHBondContact O-N 2.91Å; T172-L176 PolarHBondContact O-N 3.01Å |
| 173 | A | 61.6 | Low | 59.4 | Low | 56 Ų | 56 | 102.9 Ų | 102.9 | 46% | 0.463 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.1 | -40.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | A170 M175 L176 A177 | A170-A173 PolarHBondContact O-N 3.43Å; A173-M175 PolarHBondContact O-N 2.03Å; A173-L176 PolarHBondContact O-N 3.22Å; A173-A177 PolarHBondContact O-N 3.44Å |
| 174 | F | 58.9 | Low | 60.3 | Low | 156 Ų | 156 | 105.1 Ų | 105.1 | 68% | 0.684 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.4 | -36.3 | 177.2 | -77.5 | -64 | 0 | 0 | 0 | 113 | A170 R171 G178 | A170-F174 HydrophobicContact CB-CD2 4.46Å; A170-F174 HydrophobicContact CB-CE2 4.26Å; A170-F174 WeakPolarHBondContact O-CD2 3.49Å; A170-F174 PolarHBondContact O-N 2.76Å; A170-F174 VanDerWaalsContact O-N 3.1Å; R171-F174 PolarHBondContact O-N 3.22Å; F174-G178 PolarHBondContact O-N 2.79Å |
| 175 | M | 65.8 | Low | 61.1 | Low | 135 Ų | 135 | 104.6 Ų | 104.6 | 67% | 0.665 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.1 | -40.5 | 177.3 | -68.1 | -63.8 | -73.6 | 0 | 0 | 112.2 | R171 A173 G178 I179 | R171-M175 VanDerWaalsContact O-CG 3.26Å; R171-M175 WeakPolarHBondContact O-CG 3.41Å; R171-M175 PolarHBondContact O-N 3.15Å; R171-M175 VanDerWaalsContact O-N 3.13Å; A173-M175 PolarHBondContact O-N 2.03Å; M175-G178 PolarHBondContact O-N 3.29Å; M175-I179 WeakPolarHBondContact O-CD1 3.06Å; M175-I179 VanDerWaalsContact O-CG1 3.27Å; M175-I179 WeakPolarHBondContact O-CG1 3.28Å; M175-I179 PolarHBondContact O-N 3.48Å; M175-I179 VanDerWaalsContact O-N 3.15Å |
| 176 | L | 67.4 | Low | 61.4 | Low | 108 Ų | 108 | 106.6 Ų | 106.6 | 57% | 0.565 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.2 | -40.4 | 177.3 | -70.2 | 171.7 | 0 | 0 | 0 | 112 | T172 A173 G178 I179 C180 | T172-L176 PolarHBondContact O-N 3.01Å; A173-L176 PolarHBondContact O-N 3.22Å; L176-G178 VanDerWaalsContact C-N 3.33Å; L176-G178 PolarHBondContact O-N 3.42Å; L176-I179 PolarHBondContact O-N 3.01Å; L176-C180 PolarHBondContact O-N 3.05Å; L176-C180 PolarHBondContact O-SG 3.18Å; L176-C180 VanDerWaalsContact O-SG 3.39Å |
| 177 | A | 67.8 | Low | 61.2 | Low | 50 Ų | 50 | 112.1 Ų | 112.1 | 41% | 0.413 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.3 | -40 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A173 I179 C180 L181 | A173-A177 PolarHBondContact O-N 3.44Å; A177-I179 PolarHBondContact O-N 3.14Å; A177-C180 PolarHBondContact O-N 3.05Å; A177-L181 WeakPolarHBondContact O-CG 3.27Å; A177-L181 PolarHBondContact O-N 2.93Å |
| 178 | G | 67.6 | Low | 61.3 | Low | 40 Ų | 40 | 112.5 Ų | 112.5 | 41% | 0.412 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.6 | -37.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F174 M175 L176 S182 | F174-G178 PolarHBondContact O-N 2.79Å; M175-G178 PolarHBondContact O-N 3.29Å; L176-G178 VanDerWaalsContact C-N 3.33Å; L176-G178 PolarHBondContact O-N 3.42Å; G178-S182 PolarHBondContact O-N 3.08Å; G178-S182 VanDerWaalsContact O-N 3.11Å; G178-S182 PolarHBondContact O-OG 3.31Å |
| 179 | I | 72 | Confident | 61.6 | Low | 91 Ų | 91 | 113 Ų | 113 | 47% | 0.467 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.5 | -38.2 | 176.1 | -64.7 | 162.8 | 0 | 0 | 0 | 111.2 | M175 L176 A177 S182 I183 | M175-I179 WeakPolarHBondContact O-CD1 3.06Å; M175-I179 VanDerWaalsContact O-CG1 3.27Å; M175-I179 WeakPolarHBondContact O-CG1 3.28Å; M175-I179 PolarHBondContact O-N 3.48Å; M175-I179 VanDerWaalsContact O-N 3.15Å; L176-I179 PolarHBondContact O-N 3.01Å; A177-I179 PolarHBondContact O-N 3.14Å; I179-S182 WeakPolarHBondContact CA-OG 3.3Å; I179-S182 PolarHBondContact O-N 2.91Å; I179-S182 PolarHBondContact O-OG 3.45Å; I179-I183 HydrophobicContact CG2-CD1 4Å; I179-I183 VanDerWaalsContact O-CG1 3.29Å; I179-I183 WeakPolarHBondContact O-CG1 2.91Å; I179-I183 PolarHBondContact O-N 3.27Å |
| 180 | C | 67.1 | Low | 61.6 | Low | 80 Ų | 80 | 115.6 Ų | 115.6 | 54% | 0.541 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66 | -40.9 | 176 | -69.7 | 0 | 0 | 0 | 0 | 112.4 | L176 A177 I183 Q184 | L176-C180 PolarHBondContact O-N 3.05Å; L176-C180 PolarHBondContact O-SG 3.18Å; L176-C180 VanDerWaalsContact O-SG 3.39Å; A177-C180 PolarHBondContact O-N 3.05Å; C180-I183 PolarHBondContact O-N 2.04Å; C180-Q184 PolarHBondContact O-N 2.77Å; C180-Q184 VanDerWaalsContact O-N 3.1Å |
| 181 | L | 66.3 | Low | 61.8 | Low | 116 Ų | 116 | 118.4 Ų | 118.4 | 61% | 0.607 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.9 | -33.1 | 178.5 | -70.9 | 169.8 | 0 | 0 | 0 | 112.5 | A177 S185 | A177-L181 WeakPolarHBondContact O-CG 3.27Å; A177-L181 PolarHBondContact O-N 2.93Å; L181-S185 PolarHBondContact O-N 3.08Å |
| 182 | S | 60.2 | Low | 62.3 | Low | 67 Ų | 67 | 112.8 Ų | 112.8 | 47% | 0.469 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.4 | -32.6 | 175.9 | 59.2 | 0 | 0 | 0 | 0 | 112.7 | G178 I179 S185 | G178-S182 PolarHBondContact O-N 3.08Å; G178-S182 VanDerWaalsContact O-N 3.11Å; G178-S182 PolarHBondContact O-OG 3.31Å; I179-S182 WeakPolarHBondContact CA-OG 3.3Å; I179-S182 PolarHBondContact O-N 2.91Å; I179-S182 PolarHBondContact O-OG 3.45Å; S182-S185 PolarHBondContact O-N 3.25Å |
| 183 | I | 64.3 | Low | 62.5 | Low | 106 Ų | 106 | 115.3 Ų | 115.3 | 54% | 0.544 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -72.1 | -37.4 | 174.9 | -64.8 | 168.3 | 0 | 0 | 0 | 111.3 | I179 C180 S185 Y186 | I179-I183 HydrophobicContact CG2-CD1 4Å; I179-I183 VanDerWaalsContact O-CG1 3.29Å; I179-I183 WeakPolarHBondContact O-CG1 2.91Å; I179-I183 PolarHBondContact O-N 3.27Å; C180-I183 PolarHBondContact O-N 2.04Å; I183-S185 VanDerWaalsContact C-N 3.27Å; I183-S185 PolarHBondContact O-N 3.38Å; I183-Y186 PolarHBondContact O-N 3.04Å |
| 184 | Q | 59.2 | Low | 62.6 | Low | 147 Ų | 147 | 119.6 Ų | 119.6 | 69% | 0.687 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.6 | -18.3 | 175.4 | -99.8 | 175.8 | -4 | 0 | 0 | 114.5 | C180 | C180-Q184 PolarHBondContact O-N 2.77Å; C180-Q184 VanDerWaalsContact O-N 3.1Å |
| 185 | S | 57.8 | Low | 62.8 | Low | 102 Ų | 102 | 116.8 Ų | 116.8 | 71% | 0.713 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -14.1 | 175.2 | -166.3 | 0 | 0 | 0 | 0 | 112.6 | L181 S182 I183 | L181-S185 PolarHBondContact O-N 3.08Å; S182-S185 PolarHBondContact O-N 3.25Å; I183-S185 VanDerWaalsContact C-N 3.27Å; I183-S185 PolarHBondContact O-N 3.38Å |
| 186 | Y | 54.4 | Low | 62.6 | Low | 213 Ų | 213 | 115.3 Ų | 115.3 | 84% | 0.835 | 61% | 0.607 | S | S | * | * | trans | -97.2 | 1.4 | -177.4 | -131.8 | -90.3 | 0 | 0 | 0 | 113.8 | I183 | I183-Y186 PolarHBondContact O-N 3.04Š| ||
| 187 | Y | 47 | Very low | 62.2 | Low | 263 Ų | 263 | 115.9 Ų | 115.9 | 100% | 1.031 | 61% | 0.611 | S | S | * | * | trans | -123.4 | 0 | 172.6 | -99.5 | -84.9 | 0 | 0 | 0 | 109.3 |
Retrieved 187 of 187 residues in 70 ms
(Link to these results)