| 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 | 88 | Confident | 86.4 | Confident | 139 Ų | 139 | 110.6 Ų | 110.6 | 69% | 0.685 | 57% | 0.572 | S | S | * | * | 0 | 133.8 | 0 | -167.7 | 173 | -152.6 | 0 | 0 | 109 | Y3 I8 A9 Y11 | M1-Y3 HydrophobicContact CE-CE1 4.41Å; M1-Y3 HydrophobicContact CG-CE2 4.29Å; M1-Y3 HydrophobicContact SD-CE1 3.91Å; M1-Y3 HydrophobicContact SD-CE2 4.28Å; M1-Y3 PolarHBondContact SD-OH 3.2Å; M1-Y3 VanDerWaalsContact SD-OH 3.38Å; M1-I8 WeakPolarHBondContact O-CA 3.43Å; M1-A9 HydrophobicContact CB-CB 4.43Å; M1-A9 PolarHBondContact N-O 3.04Å; M1-A9 PolarHBondContact O-N 3.48Å; M1-Y11 HydrophobicContact CB-CE2 4.45Å | |||
| 2 | I | 87.7 | Confident | 85.9 | Confident | 134 Ų | 134 | 114.2 Ų | 114.2 | 69% | 0.687 | 58% | 0.575 | S | S | * | * | B | Isolated β-bridge | trans | -116.1 | 125.1 | 176.8 | -57.4 | 173 | 0 | 0 | 0 | 107.6 | I8 | I2-I8 HydrophobicContact CG1-CG1 4.4Å; I2-I8 HydrophobicContact CG1-CG2 4.29Å; I2-I8 HydrophobicContact CG2-CG1 4.45Å |
| 3 | Y | 88.4 | Confident | 85.9 | Confident | 84 Ų | 84 | 120.9 Ų | 120.9 | 33% | 0.329 | 60% | 0.603 | S | S | . | * | trans | -95 | 150.4 | -178.4 | -65.4 | -86.5 | 0 | 0 | 0 | 110.9 | M1 N5 G6 K7 A9 | M1-Y3 HydrophobicContact CE-CE1 4.41Å; M1-Y3 HydrophobicContact CG-CE2 4.29Å; M1-Y3 HydrophobicContact SD-CE1 3.91Å; M1-Y3 HydrophobicContact SD-CE2 4.28Å; M1-Y3 PolarHBondContact SD-OH 3.2Å; M1-Y3 VanDerWaalsContact SD-OH 3.38Å; Y3-N5 VanDerWaalsContact CB-OD1 3.25Å; Y3-N5 WeakPolarHBondContact CB-OD1 3.28Å; Y3-N5 PolarHBondContact O-N 2.82Å; Y3-G6 PolarHBondContact O-N 3.49Å; Y3-K7 HydrophobicContact CD2-CB 3.82Å; Y3-K7 WeakPolarHBondContact CD2-O 3.31Å; Y3-K7 HydrophobicContact CG-CB 4.32Å; Y3-K7 PolarHBondContact N-O 3.3Å; Y3-A9 HydrophobicContact CE2-CB 3.81Å | ||
| 4 | P | 83.3 | Confident | 85.8 | Confident | 143 Ų | 143 | 124.9 Ų | 124.9 | 93% | 0.929 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -22.4 | 178.3 | -27.1 | 35.1 | 0 | 0 | 0 | 115 | G6 | P4-G6 PolarHBondContact O-N 2.78Š|
| 5 | N | 85.2 | Confident | 85.3 | Confident | 111 Ų | 111 | 123.5 Ų | 123.5 | 59% | 0.594 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 11 | 175.7 | 67.1 | 1.3 | 0 | 0 | 0 | 113.8 | Y3 K7 | Y3-N5 VanDerWaalsContact CB-OD1 3.25Å; Y3-N5 WeakPolarHBondContact CB-OD1 3.28Å; Y3-N5 PolarHBondContact O-N 2.82Å; N5-K7 VanDerWaalsContact C-N 3.29Å; N5-K7 PolarHBondContact O-N 3.33Å; N5-K7 WeakPolarHBondContact OD1-CB 3.19Å; N5-K7 WeakPolarHBondContact OD1-CG 3.31Å; N5-K7 PolarHBondContact OD1-N 3Å; N5-K7 VanDerWaalsContact OD1-N 3.11Å |
| 6 | G | 81.6 | Confident | 84.9 | Confident | 58 Ų | 58 | 120.9 Ų | 120.9 | 60% | 0.598 | 62% | 0.616 | S | S | * | * | S | Bend | trans | 81.2 | -0.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y3 P4 | Y3-G6 PolarHBondContact O-N 3.49Å; P4-G6 PolarHBondContact O-N 2.78Å |
| 7 | K | 87.9 | Confident | 84.4 | Confident | 140 Ų | 140 | 126 Ų | 126 | 61% | 0.609 | 63% | 0.633 | S | S | * | * | trans | -68 | 141.6 | 171.2 | -68.6 | -176.6 | 180 | -177.3 | 0 | 109.9 | Y3 N5 | Y3-K7 HydrophobicContact CD2-CB 3.82Å; Y3-K7 WeakPolarHBondContact CD2-O 3.31Å; Y3-K7 HydrophobicContact CG-CB 4.32Å; Y3-K7 PolarHBondContact N-O 3.3Å; N5-K7 VanDerWaalsContact C-N 3.29Å; N5-K7 PolarHBondContact O-N 3.33Å; N5-K7 WeakPolarHBondContact OD1-CB 3.19Å; N5-K7 WeakPolarHBondContact OD1-CG 3.31Å; N5-K7 PolarHBondContact OD1-N 3Å; N5-K7 VanDerWaalsContact OD1-N 3.11Å | ||
| 8 | I | 88.3 | Confident | 84.2 | Confident | 95 Ų | 95 | 124 Ų | 124 | 49% | 0.487 | 64% | 0.64 | S | S | . | * | B | Isolated β-bridge | trans | -124 | 124.2 | 174.9 | -52.5 | 176.8 | 0 | 0 | 0 | 107.6 | M1 I2 F10 | M1-I8 WeakPolarHBondContact O-CA 3.43Å; I2-I8 HydrophobicContact CG1-CG1 4.4Å; I2-I8 HydrophobicContact CG1-CG2 4.29Å; I2-I8 HydrophobicContact CG2-CG1 4.45Å; I8-F10 HydrophobicContact CB-CE2 4.26Å; I8-F10 HydrophobicContact CG2-CD2 4.34Å; I8-F10 HydrophobicContact CG2-CE1 4.31Å; I8-F10 HydrophobicContact CG2-CE2 3.57Å; I8-F10 HydrophobicContact CG2-CZ 3.54Å |
| 9 | A | 88.4 | Confident | 83.6 | Confident | 22 Ų | 22 | 122 Ų | 122 | 18% | 0.182 | 63% | 0.629 | C | S | . | * | trans | -111.3 | 130.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | M1 Y3 Y11 | M1-A9 HydrophobicContact CB-CB 4.43Å; M1-A9 PolarHBondContact N-O 3.04Å; M1-A9 PolarHBondContact O-N 3.48Å; Y3-A9 HydrophobicContact CE2-CB 3.81Å; A9-Y11 HydrophobicContact CB-CD2 4.49Å; A9-Y11 HydrophobicContact CB-CE2 3.71Å | ||
| 10 | F | 84.6 | Confident | 83.2 | Confident | 119 Ų | 119 | 123.6 Ų | 123.6 | 52% | 0.522 | 63% | 0.631 | S | S | . | * | trans | -106.9 | 130.7 | 175.1 | -61.7 | -86 | 0 | 0 | 0 | 108.8 | I8 Y12 L28 | I8-F10 HydrophobicContact CB-CE2 4.26Å; I8-F10 HydrophobicContact CG2-CD2 4.34Å; I8-F10 HydrophobicContact CG2-CE1 4.31Å; I8-F10 HydrophobicContact CG2-CE2 3.57Å; I8-F10 HydrophobicContact CG2-CZ 3.54Å; F10-Y12 HydrophobicContact CB-CE2 4.26Å; F10-L28 HydrophobicContact CE1-CD1 4.23Å; F10-L28 HydrophobicContact CE2-CD1 3.71Å; F10-L28 HydrophobicContact CZ-CD1 3.34Å | ||
| 11 | Y | 86.7 | Confident | 82.5 | Confident | 172 Ų | 172 | 121 Ų | 121 | 68% | 0.675 | 64% | 0.635 | S | S | * | * | trans | -119.2 | 131.1 | 176.4 | -65.2 | -89.9 | 0 | 0 | 0 | 107.7 | M1 A9 | M1-Y11 HydrophobicContact CB-CE2 4.45Å; A9-Y11 HydrophobicContact CB-CD2 4.49Å; A9-Y11 HydrophobicContact CB-CE2 3.71Å | ||
| 12 | Y | 81 | Confident | 82 | Confident | 153 Ų | 153 | 121.2 Ų | 121.2 | 60% | 0.6 | 64% | 0.639 | S | S | * | * | trans | -109.3 | 120.7 | 175.2 | -59.8 | -86.4 | 0 | 0 | 0 | 107 | F10 V15 | F10-Y12 HydrophobicContact CB-CE2 4.26Å; Y12-V15 HydrophobicContact CG-CG1 4Å | ||
| 13 | E | 85.6 | Confident | 81.4 | Confident | 202 Ų | 202 | 120.8 Ų | 120.8 | 94% | 0.944 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -69 | -41.3 | 177.1 | -173.5 | 168.3 | -159.1 | 0 | 0 | 110.6 | ||
| 14 | E | 83.9 | Confident | 80.9 | Confident | 177 Ų | 177 | 120.6 Ų | 120.6 | 83% | 0.827 | 64% | 0.642 | S | S | * | * | trans | -132.5 | 139 | 171 | -63.6 | -169.4 | 165 | 0 | 0 | 110.8 | ||||
| 15 | V | 78.4 | Confident | 80.6 | Confident | 104 Ų | 104 | 123.1 Ų | 123.1 | 63% | 0.63 | 64% | 0.638 | S | S | * | * | trans | -121.1 | 137.3 | 169.9 | -66.7 | 0 | 0 | 0 | 0 | 108.7 | Y12 K17 | Y12-V15 HydrophobicContact CG-CG1 4Å; V15-K17 PolarHBondContact O-N 3.27Å | ||
| 16 | S | 79.1 | Confident | 80.3 | Confident | 81 Ų | 81 | 122.5 Ų | 122.5 | 57% | 0.566 | 64% | 0.642 | S | S | * | * | trans | -59.8 | 122.1 | -177.7 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | A18 | S16-A18 PolarHBondContact O-N 3.22Å; S16-A18 WeakPolarHBondContact OG-CB 3.34Å; S16-A18 PolarHBondContact OG-N 3.35Å | ||
| 17 | K | 76.9 | Confident | 80.3 | Confident | 208 Ų | 208 | 124.5 Ų | 124.5 | 90% | 0.904 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -10.3 | 176.2 | -61.9 | -179.1 | -176.9 | 175.1 | 0 | 113.1 | V15 I19 | V15-K17 PolarHBondContact O-N 3.27Å; K17-I19 PolarHBondContact O-N 3.34Å |
| 18 | A | 80.3 | Confident | 79.9 | Confident | 90 Ų | 90 | 123.8 Ų | 123.8 | 74% | 0.744 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -23.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S16 | S16-A18 PolarHBondContact O-N 3.22Å; S16-A18 WeakPolarHBondContact OG-CB 3.34Å; S16-A18 PolarHBondContact OG-N 3.35Å |
| 19 | I | 73.9 | Confident | 79.8 | Confident | 86 Ų | 86 | 127 Ų | 127 | 44% | 0.441 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -95.2 | 122.9 | -178.7 | -52.2 | 177.7 | 0 | 0 | 0 | 108.3 | K17 Q23 V24 | K17-I19 PolarHBondContact O-N 3.34Å; I19-Q23 HydrophobicContact CG2-CB 3.74Å; I19-V24 HydrophobicContact CB-CG2 4.06Å; I19-V24 HydrophobicContact CG2-CG2 3.63Å |
| 20 | K | 74.9 | Confident | 79.5 | Confident | 154 Ų | 154 | 128.9 Ų | 128.9 | 67% | 0.67 | 69% | 0.688 | S | S | * | * | trans | -61.3 | 141.6 | 174.2 | -66.7 | -174.2 | -179.4 | -178.8 | 0 | 109.2 | N22 Q23 V24 | K20-N22 WeakPolarHBondContact CB-OD1 3.44Å; K20-N22 PolarHBondContact O-N 3.1Å; K20-Q23 WeakPolarHBondContact O-CA 3.46Å; K20-Q23 WeakPolarHBondContact O-CB 3.25Å; K20-Q23 PolarHBondContact O-N 2.99Å; K20-V24 PolarHBondContact O-N 2.72Å | ||
| 21 | G | 69.2 | Low | 79.4 | Confident | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -53.2 | -32.1 | -173 | 0 | 0 | 0 | 0 | 0 | 115 | Q23 | G21-Q23 VanDerWaalsContact C-N 3.3Å; G21-Q23 PolarHBondContact O-N 3.4Å |
| 22 | N | 76.7 | Confident | 78.7 | Confident | 144 Ų | 144 | 133.6 Ų | 133.6 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -76.7 | -11.1 | 177 | 67.3 | -25.1 | 0 | 0 | 0 | 114.8 | K20 | K20-N22 WeakPolarHBondContact CB-OD1 3.44Å; K20-N22 PolarHBondContact O-N 3.1Å |
| 23 | Q | 76.1 | Confident | 77.8 | Confident | 124 Ų | 124 | 131 Ų | 131 | 58% | 0.579 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -98.8 | -13.3 | 177.1 | -66.6 | -175.4 | -34.8 | 0 | 0 | 112.8 | I19 K20 G21 K25 | I19-Q23 HydrophobicContact CG2-CB 3.74Å; K20-Q23 WeakPolarHBondContact O-CA 3.46Å; K20-Q23 WeakPolarHBondContact O-CB 3.25Å; K20-Q23 PolarHBondContact O-N 2.99Å; G21-Q23 VanDerWaalsContact C-N 3.3Å; G21-Q23 PolarHBondContact O-N 3.4Å; Q23-K25 PolarHBondContact O-N 2.93Å; Q23-K25 VanDerWaalsContact O-N 3.16Å |
| 24 | V | 77.1 | Confident | 76.4 | Confident | 81 Ų | 81 | 126.3 Ų | 126.3 | 49% | 0.491 | 70% | 0.7 | S | S | . | * | trans | -69 | 114.2 | 178.8 | -178 | 0 | 0 | 0 | 0 | 109 | I19 K20 | I19-V24 HydrophobicContact CB-CG2 4.06Å; I19-V24 HydrophobicContact CG2-CG2 3.63Å; K20-V24 PolarHBondContact O-N 2.72Å | ||
| 25 | K | 77.7 | Confident | 75.1 | Confident | 195 Ų | 195 | 120.1 Ų | 120.1 | 85% | 0.848 | 68% | 0.684 | S | S | * | * | trans | -110.4 | 124 | 170.4 | -65.8 | -174.5 | -179.1 | -178.3 | 0 | 108.4 | Q23 | Q23-K25 PolarHBondContact O-N 2.93Å; Q23-K25 VanDerWaalsContact O-N 3.16Å | ||
| 26 | S | 78.5 | Confident | 73.8 | Confident | 99 Ų | 99 | 121.3 Ų | 121.3 | 69% | 0.692 | 69% | 0.685 | S | S | * | * | trans | -90.1 | 131.6 | 169.4 | -62.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 27 | S | 80.9 | Confident | 72.7 | Confident | 100 Ų | 100 | 123 Ų | 123 | 70% | 0.699 | 69% | 0.688 | S | S | * | * | trans | -133.6 | 142.5 | 173.9 | -175.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 28 | L | 80.5 | Confident | 71.8 | Confident | 124 Ų | 124 | 121.5 Ų | 121.5 | 65% | 0.649 | 68% | 0.684 | S | S | * | * | trans | -111.9 | 113.5 | 172 | -168.8 | 146.9 | 0 | 0 | 0 | 107.6 | F10 | F10-L28 HydrophobicContact CE1-CD1 4.23Å; F10-L28 HydrophobicContact CE2-CD1 3.71Å; F10-L28 HydrophobicContact CZ-CD1 3.34Å | ||
| 29 | I | 85.8 | Confident | 70.7 | Confident | 163 Ų | 163 | 117.6 Ų | 117.6 | 84% | 0.836 | 65% | 0.652 | S | S | * | * | trans | -102.5 | 114.7 | 176 | -56.7 | 174.3 | 0 | 0 | 0 | 106.9 | ||||
| 30 | G | 82.1 | Confident | 70.3 | Confident | 62 Ų | 62 | 116.5 Ų | 116.5 | 64% | 0.639 | 65% | 0.648 | S | S | * | * | trans | -126.8 | 149.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 31 | R | 81.7 | Confident | 70.2 | Confident | 226 Ų | 226 | 115.7 Ų | 115.7 | 85% | 0.853 | 65% | 0.646 | S | S | * | * | trans | -111.2 | 114.5 | 165.9 | -175.5 | -179.4 | -175.2 | -176.8 | 0.1 | 107.5 | T33 | R31-T33 HydrophobicContact CG-CG2 4.27Š| ||
| 32 | I | 72.6 | Confident | 70.9 | Confident | 163 Ų | 163 | 115.1 Ų | 115.1 | 84% | 0.836 | 63% | 0.625 | S | S | * | * | trans | -98.2 | 115.7 | 171.3 | -56.4 | 172.5 | 0 | 0 | 0 | 106.1 | ||||
| 33 | T | 62.7 | Low | 71.4 | Confident | 99 Ų | 99 | 108.2 Ų | 108.2 | 61% | 0.607 | 59% | 0.588 | S | S | * | * | trans | -96.5 | 117.1 | 170.6 | 48.3 | 0 | 0 | 0 | 0 | 107.9 | R31 G35 | R31-T33 HydrophobicContact CG-CG2 4.27Å; T33-G35 PolarHBondContact O-N 3.35Å | ||
| 34 | C | 56.5 | Low | 71.8 | Confident | 104 Ų | 104 | 105.9 Ų | 105.9 | 70% | 0.703 | 58% | 0.584 | S | S | * | * | trans | -67.6 | 119.6 | 161.5 | -59.6 | 0 | 0 | 0 | 0 | 106.5 | I36 | C34-I36 VanDerWaalsContact C-N 3.26Å; C34-I36 PolarHBondContact O-N 3.45Å | ||
| 35 | G | 55.2 | Low | 72.3 | Confident | 47 Ų | 47 | 109.2 Ų | 109.2 | 49% | 0.485 | 59% | 0.591 | S | S | . | * | trans | -63.6 | 95.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | T33 N37 N40 | T33-G35 PolarHBondContact O-N 3.35Å; G35-N37 PolarHBondContact O-N 2.71Å; G35-N40 PolarHBondContact O-ND2 3.14Å | ||
| 36 | I | 50.5 | Low | 72.8 | Confident | 128 Ų | 128 | 102.5 Ų | 102.5 | 66% | 0.656 | 56% | 0.563 | S | S | * | * | trans | -77.9 | 76.4 | 171.5 | -35.3 | 174.7 | 0 | 0 | 0 | 105.4 | C34 | C34-I36 VanDerWaalsContact C-N 3.26Å; C34-I36 PolarHBondContact O-N 3.45Å | ||
| 37 | N | 56.5 | Low | 73.3 | Confident | 117 Ų | 117 | 104.2 Ų | 104.2 | 63% | 0.626 | 56% | 0.564 | S | S | * | * | trans | -62.8 | 144.6 | 157.8 | -63.5 | -25.5 | 0 | 0 | 0 | 105.9 | G35 G39 N40 | G35-N37 PolarHBondContact O-N 2.71Å; N37-G39 PolarHBondContact O-N 3.17Å; N37-N40 WeakPolarHBondContact O-CB 3.41Å; N37-N40 PolarHBondContact O-N 2.82Å | ||
| 38 | E | 57.7 | Low | 73.8 | Confident | 176 Ų | 176 | 102.1 Ų | 102.1 | 82% | 0.822 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -30.9 | -178 | -67.6 | -179.1 | 163 | 0 | 0 | 112.1 | N40 Q41 H42 | E38-N40 VanDerWaalsContact C-N 3.29Å; E38-N40 PolarHBondContact O-N 2.01Å; E38-Q41 PolarHBondContact O-N 2.98Å; E38-H42 PolarHBondContact O-N 3.44Å |
| 39 | G | 58.7 | Low | 74.2 | Confident | 8 Ų | 8 | 100.1 Ų | 100.1 | 8% | 0.082 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -58.5 | -30.7 | 172 | 0 | 0 | 0 | 0 | 0 | 115.6 | N37 Q41 H42 C43 | N37-G39 PolarHBondContact O-N 3.17Å; G39-Q41 VanDerWaalsContact C-N 3.27Å; G39-Q41 PolarHBondContact O-N 2.74Å; G39-H42 PolarHBondContact O-N 3.49Å; G39-C43 PolarHBondContact O-N 3.46Å |
| 40 | N | 64.3 | Low | 74.6 | Confident | 64 Ų | 64 | 97.4 Ų | 97.4 | 34% | 0.342 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.4 | -18.1 | 179.4 | -85.8 | -11.5 | 0 | 0 | 0 | 113.5 | G35 N37 E38 P44 | G35-N40 PolarHBondContact O-ND2 3.14Å; N37-N40 WeakPolarHBondContact O-CB 3.41Å; N37-N40 PolarHBondContact O-N 2.82Å; E38-N40 VanDerWaalsContact C-N 3.29Å; E38-N40 PolarHBondContact O-N 2.01Å; N40-P44 WeakPolarHBondContact O-CD 2.95Å; N40-P44 WeakPolarHBondContact O-CG 3.48Å |
| 41 | Q | 73.3 | Confident | 75 | Confident | 136 Ų | 136 | 96.7 Ų | 96.7 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -94.3 | -18.1 | 171.8 | -160.2 | 174.2 | 17.3 | 0 | 0 | 112.3 | E38 G39 K45 | E38-Q41 PolarHBondContact O-N 2.98Å; G39-Q41 VanDerWaalsContact C-N 3.27Å; G39-Q41 PolarHBondContact O-N 2.74Å; Q41-K45 WeakPolarHBondContact O-CE 3.48Å |
| 42 | H | 83.7 | Confident | 75.4 | Confident | 57 Ų | 57 | 86 Ų | 86 | 26% | 0.264 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -74.5 | -57 | -178 | -174.9 | 65.5 | 0 | 0 | 0 | 111.9 | E38 G39 A55 I60 | E38-H42 PolarHBondContact O-N 3.44Å; G39-H42 PolarHBondContact O-N 3.49Å; H42-A55 PolarHBondContact CD2-O 3.25Å; H42-A55 PolarHBondContact NE2-O 2.98Å; H42-I60 HydrophobicContact CB-CD1 4.17Å |
| 43 | C | 86.9 | Confident | 76.1 | Confident | 0 Ų | 0 | 83.6 Ų | 83.6 | 0% | 0 | 46% | 0.455 | C | S | . | . | G | 310 helix | trans | -66.1 | -44.4 | -174.4 | -53.2 | 0 | 0 | 0 | 0 | 114.2 | G39 K45 H46 C62 C71 A73 | G39-C43 PolarHBondContact O-N 3.46Å; C43-K45 PolarHBondContact O-N 3.18Å; C43-H46 PolarHBondContact O-CD2 3.22Å; C43-H46 PolarHBondContact O-N 3.03Å; C43-C62 VanDerWaalsContact CA-SG 3.57Å; C43-C62 HydrophobicContact CB-CB 3.82Å; C43-C62 WeakPolarHBondContact CB-SG 3.28Å; C43-C62 WeakPolarHBondContact SG-CA 3.07Å; C43-C62 WeakPolarHBondContact SG-CB 3.11Å; C43-C62 CovalentContact SG-SG 2.04Å; C43-C62 PolarHBondContact SG-SG 3.43Å; C43-C71 VanDerWaalsContact O-CB 3.23Å; C43-C71 WeakPolarHBondContact O-CB 3.42Å; C43-C71 PolarHBondContact O-SG 2.02Å; C43-A73 VanDerWaalsContact SG-CA 3.52Å; C43-A73 PolarHBondContact SG-N 3.48Å |
| 44 | P | 85.9 | Confident | 77.4 | Confident | 75 Ų | 75 | 86.3 Ų | 86.3 | 49% | 0.487 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -65.9 | -6.8 | -172.9 | -25.5 | 37.9 | 0 | 0 | 0 | 115.9 | N40 H46 C71 | N40-P44 WeakPolarHBondContact O-CD 2.95Å; N40-P44 WeakPolarHBondContact O-CG 3.48Å; P44-H46 PolarHBondContact O-N 3.23Å; P44-C71 VanDerWaalsContact CA-O 3.28Å; P44-C71 WeakPolarHBondContact CA-O 3.12Å |
| 45 | K | 86.5 | Confident | 78.9 | Confident | 151 Ų | 151 | 81.9 Ų | 81.9 | 66% | 0.657 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -70.2 | -19.5 | 173.1 | -64.6 | 176.2 | -177.4 | 170 | 0 | 112.6 | Q41 C43 | Q41-K45 WeakPolarHBondContact O-CE 3.48Å; C43-K45 PolarHBondContact O-N 3.18Å |
| 46 | H | 89 | Confident | 80.5 | Confident | 53 Ų | 53 | 82.5 Ų | 82.5 | 25% | 0.245 | 43% | 0.426 | C | S | . | . | trans | -94 | 120.6 | -177.3 | -58.4 | -77.8 | 0 | 0 | 0 | 110.5 | C43 P44 P51 C52 A55 C71 | C43-H46 PolarHBondContact O-CD2 3.22Å; C43-H46 PolarHBondContact O-N 3.03Å; P44-H46 PolarHBondContact O-N 3.23Å; H46-P51 HydrophobicContact CB-CB 4.24Å; H46-P51 PolarHBondContact ND1-O 3.05Å; H46-C52 HydrophobicContact CB-CB 4.06Å; H46-A55 VanDerWaalsContact CD2-CB 3.44Å; H46-A55 WeakPolarHBondContact CD2-CB 3.09Å; H46-A55 WeakPolarHBondContact NE2-CB 3.23Å; H46-C71 HydrophobicContact CB-CB 4.19Å; H46-C71 VanDerWaalsContact O-CB 3.28Å; H46-C71 WeakPolarHBondContact O-CB 3.04Å | ||
| 47 | N | 89.3 | Confident | 82.1 | Confident | 136 Ų | 136 | 79.4 Ų | 79.4 | 73% | 0.727 | 41% | 0.413 | S | S | * | . | trans | -102.9 | 20.6 | -176.7 | 65 | -7 | 0 | 0 | 0 | 112.9 | ||||
| 48 | S | 90.2 | Very high | 83.3 | Confident | 56 Ų | 56 | 79.4 Ų | 79.4 | 39% | 0.392 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -153.1 | 154.7 | -179.2 | -72 | 0 | 0 | 0 | 0 | 110.7 | P51 C52 | S48-P51 WeakPolarHBondContact O-CD 3.45Å; S48-C52 WeakPolarHBondContact O-CB 3.12Å; S48-C52 PolarHBondContact O-N 3.29Å |
| 49 | I | 90.1 | Very high | 84.3 | Confident | 81 Ų | 81 | 77.2 Ų | 77.2 | 42% | 0.415 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58 | -56 | -173.9 | -58.3 | 169.6 | 0 | 0 | 0 | 111.6 | C52 Q53 W64 | I49-C52 WeakPolarHBondContact O-CB 3.09Å; I49-C52 PolarHBondContact O-N 2.78Å; I49-Q53 WeakPolarHBondContact O-CG 3.21Å; I49-Q53 PolarHBondContact O-N 3.18Å; I49-W64 HydrophobicContact CB-CG 4.3Å; I49-W64 HydrophobicContact CG1-CB 4.5Å; I49-W64 HydrophobicContact CG1-CD2 3.89Å; I49-W64 HydrophobicContact CG1-CG 3.72Å; I49-W64 HydrophobicContact CG2-CB 4.38Å; I49-W64 HydrophobicContact CG2-CG 4.46Å |
| 50 | N | 92.4 | Very high | 85.4 | Confident | 106 Ų | 106 | 78.5 Ų | 78.5 | 57% | 0.567 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.3 | -49.8 | -174 | -57.6 | 4.2 | 0 | 0 | 0 | 111.9 | C52 Q53 E54 | N50-C52 PolarHBondContact O-N 2.04Å; N50-Q53 PolarHBondContact O-N 3.34Å; N50-E54 WeakPolarHBondContact O-CB 3.36Å; N50-E54 WeakPolarHBondContact O-CG 3.45Å; N50-E54 PolarHBondContact O-N 3.35Å |
| 51 | P | 91.9 | Very high | 86.5 | Confident | 48 Ų | 48 | 79.6 Ų | 79.6 | 31% | 0.312 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.1 | -33.9 | 175.4 | -25.3 | 35.4 | 0 | 0 | 0 | 113.5 | H46 S48 A55 | H46-P51 HydrophobicContact CB-CB 4.24Å; H46-P51 PolarHBondContact ND1-O 3.05Å; S48-P51 WeakPolarHBondContact O-CD 3.45Å; P51-A55 WeakPolarHBondContact O-CB 3.21Å; P51-A55 PolarHBondContact O-N 3.05Å; P51-A55 VanDerWaalsContact O-N 3.1Å |
| 52 | C | 90.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.8 | -46.6 | 176.8 | 175.8 | 0 | 0 | 0 | 0 | 112.1 | H46 S48 I49 N50 A55 C62 I63 W64 C71 | H46-C52 HydrophobicContact CB-CB 4.06Å; S48-C52 WeakPolarHBondContact O-CB 3.12Å; S48-C52 PolarHBondContact O-N 3.29Å; I49-C52 WeakPolarHBondContact O-CB 3.09Å; I49-C52 PolarHBondContact O-N 2.78Å; N50-C52 PolarHBondContact O-N 2.04Å; C52-A55 WeakPolarHBondContact O-CB 2.98Å; C52-A55 PolarHBondContact O-N 2.92Å; C52-C62 WeakPolarHBondContact O-CB 3.28Å; C52-I63 PolarHBondContact SG-O 3.35Å; C52-W64 HydrophobicContact CB-CE3 3.84Å; C52-C71 WeakPolarHBondContact CA-SG 3.46Å; C52-C71 HydrophobicContact CB-CB 3.59Å; C52-C71 WeakPolarHBondContact CB-SG 3.25Å; C52-C71 VanDerWaalsContact SG-CA 3.56Å; C52-C71 WeakPolarHBondContact SG-CB 3.41Å; C52-C71 CovalentContact SG-SG 2.01Å; C52-C71 PolarHBondContact SG-SG 2.95Å |
| 53 | Q | 86.5 | Confident | 87.3 | Confident | 114 Ų | 114 | 71.4 Ų | 71.4 | 53% | 0.533 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.3 | -40.5 | -179.3 | -69.4 | -179.7 | -48.7 | 0 | 0 | 111.5 | I49 N50 A55 T56 | I49-Q53 WeakPolarHBondContact O-CG 3.21Å; I49-Q53 PolarHBondContact O-N 3.18Å; N50-Q53 PolarHBondContact O-N 3.34Å; Q53-A55 PolarHBondContact O-N 3.4Å; Q53-T56 VanDerWaalsContact O-CB 3.31Å; Q53-T56 WeakPolarHBondContact O-CB 3.27Å; Q53-T56 PolarHBondContact O-N 3.49Å; Q53-T56 PolarHBondContact O-OG1 3.18Å |
| 54 | E | 90.2 | Very high | 87.4 | Confident | 155 Ų | 155 | 73.4 Ų | 73.4 | 72% | 0.724 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -67.2 | -21.4 | 176.7 | -70.6 | 172.3 | -172.1 | 0 | 0 | 113.4 | N50 T56 | N50-E54 WeakPolarHBondContact O-CB 3.36Å; N50-E54 WeakPolarHBondContact O-CG 3.45Å; N50-E54 PolarHBondContact O-N 3.35Å; E54-T56 PolarHBondContact O-N 3.21Å |
| 55 | A | 88 | Confident | 87.4 | Confident | 11 Ų | 11 | 69.9 Ų | 69.9 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -11.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | H42 H46 P51 C52 Q53 T57 C62 | H42-A55 PolarHBondContact CD2-O 3.25Å; H42-A55 PolarHBondContact NE2-O 2.98Å; H46-A55 VanDerWaalsContact CD2-CB 3.44Å; H46-A55 WeakPolarHBondContact CD2-CB 3.09Å; H46-A55 WeakPolarHBondContact NE2-CB 3.23Å; P51-A55 WeakPolarHBondContact O-CB 3.21Å; P51-A55 PolarHBondContact O-N 3.05Å; P51-A55 VanDerWaalsContact O-N 3.1Å; C52-A55 WeakPolarHBondContact O-CB 2.98Å; C52-A55 PolarHBondContact O-N 2.92Å; Q53-A55 PolarHBondContact O-N 3.4Å; A55-T57 PolarHBondContact O-N 3.22Å; A55-C62 HydrophobicContact CB-CB 4.48Å |
| 56 | T | 87.5 | Confident | 87.3 | Confident | 60 Ų | 60 | 70.8 Ų | 70.8 | 37% | 0.368 | 37% | 0.374 | S | S | . | . | trans | -60.8 | 126.1 | 178.6 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | Q53 E54 I60 K61 C62 | Q53-T56 VanDerWaalsContact O-CB 3.31Å; Q53-T56 WeakPolarHBondContact O-CB 3.27Å; Q53-T56 PolarHBondContact O-N 3.49Å; Q53-T56 PolarHBondContact O-OG1 3.18Å; E54-T56 PolarHBondContact O-N 3.21Å; T56-I60 CarbonylContact C-O 3.51Å; T56-I60 VanDerWaalsContact CA-O 3.31Å; T56-I60 WeakPolarHBondContact CA-O 3.33Å; T56-K61 HydrophobicContact CG2-CB 4.2Å; T56-K61 HydrophobicContact CG2-CG 4.36Å; T56-C62 PolarHBondContact OG1-N 3.42Å; T56-C62 PolarHBondContact OG1-O 3.24Å | ||
| 57 | T | 85.1 | Confident | 87.1 | Confident | 64 Ų | 64 | 75 Ų | 75 | 39% | 0.393 | 39% | 0.391 | S | S | . | . | trans | -109.8 | -179.7 | 173.9 | 66.8 | 0 | 0 | 0 | 0 | 110.5 | A55 D59 I60 | A55-T57 PolarHBondContact O-N 3.22Å; T57-D59 PolarHBondContact O-N 2.81Å; T57-D59 PolarHBondContact OG1-N 2.91Å; T57-I60 PolarHBondContact N-O 2.78Å; T57-I60 PolarHBondContact OG1-N 2.98Å | ||
| 58 | S | 80.7 | Confident | 86.8 | Confident | 116 Ų | 116 | 74.2 Ų | 74.2 | 81% | 0.811 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -60.6 | -29 | 174.8 | 49.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 59 | D | 80 | Confident | 86.7 | Confident | 131 Ų | 131 | 76.9 Ų | 76.9 | 70% | 0.701 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -105.6 | -16 | -173.3 | -49.7 | -36.1 | 0 | 0 | 0 | 112.5 | T57 | T57-D59 PolarHBondContact O-N 2.81Å; T57-D59 PolarHBondContact OG1-N 2.91Å |
| 60 | I | 82.3 | Confident | 86.7 | Confident | 34 Ų | 34 | 76.9 Ų | 76.9 | 17% | 0.174 | 39% | 0.389 | C | S | . | . | trans | -135.7 | 113.6 | -174.4 | -57.5 | 158.3 | 0 | 0 | 0 | 108.9 | H42 T56 T57 A73 | H42-I60 HydrophobicContact CB-CD1 4.17Å; T56-I60 CarbonylContact C-O 3.51Å; T56-I60 VanDerWaalsContact CA-O 3.31Å; T56-I60 WeakPolarHBondContact CA-O 3.33Å; T57-I60 PolarHBondContact N-O 2.78Å; T57-I60 PolarHBondContact OG1-N 2.98Å; I60-A73 HydrophobicContact CG2-CB 4.35Å | ||
| 61 | K | 86.1 | Confident | 86.5 | Confident | 87 Ų | 87 | 72 Ų | 72 | 38% | 0.378 | 36% | 0.363 | S | S | . | . | trans | -95.2 | 119.4 | 172 | 175.9 | -179.8 | -179.8 | -169.5 | 0 | 110 | T56 A73 S74 | T56-K61 HydrophobicContact CG2-CB 4.2Å; T56-K61 HydrophobicContact CG2-CG 4.36Å; K61-A73 CarbonylContact O-C 3.53Å; K61-A73 WeakPolarHBondContact O-CA 3.37Å; K61-S74 WeakPolarHBondContact CB-OG 3.44Å; K61-S74 WeakPolarHBondContact CD-OG 3.38Å; K61-S74 VanDerWaalsContact CG-OG 3.28Å; K61-S74 WeakPolarHBondContact CG-OG 3.36Å; K61-S74 PolarHBondContact O-N 3.34Å; K61-S74 PolarHBondContact O-OG 2.9Å | ||
| 62 | C | 86.6 | Confident | 86.1 | Confident | 5 Ų | 5 | 70.8 Ų | 70.8 | 3% | 0.034 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 136.8 | 179.4 | -65.8 | 0 | 0 | 0 | 0 | 110.5 | C43 C52 A55 T56 | C43-C62 VanDerWaalsContact CA-SG 3.57Å; C43-C62 HydrophobicContact CB-CB 3.82Å; C43-C62 WeakPolarHBondContact CB-SG 3.28Å; C43-C62 WeakPolarHBondContact SG-CA 3.07Å; C43-C62 WeakPolarHBondContact SG-CB 3.11Å; C43-C62 CovalentContact SG-SG 2.04Å; C43-C62 PolarHBondContact SG-SG 3.43Å; C52-C62 WeakPolarHBondContact O-CB 3.28Å; A55-C62 HydrophobicContact CB-CB 4.48Å; T56-C62 PolarHBondContact OG1-N 3.42Å; T56-C62 PolarHBondContact OG1-O 3.24Å |
| 63 | I | 87.5 | Confident | 85.7 | Confident | 16 Ų | 16 | 71.3 Ų | 71.3 | 8% | 0.082 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 139.8 | 179.5 | 62.4 | 167.8 | 0 | 0 | 0 | 110.5 | C52 T72 C87 V89 | C52-I63 PolarHBondContact SG-O 3.35Å; I63-T72 HydrophobicContact CD1-CG2 4.15Å; I63-T72 HydrophobicContact CG1-CG2 3.72Å; I63-T72 WeakPolarHBondContact CG1-O 3.26Å; I63-T72 PolarHBondContact N-O 3.37Å; I63-T72 PolarHBondContact O-N 3.1Å; I63-C87 HydrophobicContact CD1-CB 4.39Å; I63-V89 HydrophobicContact CD1-CG2 3.95Å; I63-V89 HydrophobicContact CG2-CG2 3.96Å |
| 64 | W | 89.2 | Confident | 85.2 | Confident | 42 Ų | 42 | 66.3 Ų | 66.3 | 16% | 0.159 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 124.7 | 174.4 | -175.8 | -97.4 | 0 | 0 | 0 | 110.7 | I49 C52 D69 C71 | I49-W64 HydrophobicContact CB-CG 4.3Å; I49-W64 HydrophobicContact CG1-CB 4.5Å; I49-W64 HydrophobicContact CG1-CD2 3.89Å; I49-W64 HydrophobicContact CG1-CG 3.72Å; I49-W64 HydrophobicContact CG2-CB 4.38Å; I49-W64 HydrophobicContact CG2-CG 4.46Å; C52-W64 HydrophobicContact CB-CE3 3.84Å; W64-D69 WeakPolarHBondContact CH2-O 3.26Å; W64-D69 HydrophobicContact CZ2-CB 4.03Å; W64-C71 HydrophobicContact CE3-CB 3.97Å; W64-C71 HydrophobicContact CZ3-CB 4.12Å |
| 65 | C | 84.9 | Confident | 83.8 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.007 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 91.8 | 176 | -167.3 | 0 | 0 | 0 | 0 | 111.2 | K67 Y68 D69 I70 C87 | C65-K67 PolarHBondContact O-N 3.21Å; C65-K67 VanDerWaalsContact O-N 3.1Å; C65-Y68 PolarHBondContact O-N 3.28Å; C65-D69 PolarHBondContact O-N 3.42Å; C65-I70 HydrophobicContact CB-CG1 3.9Å; C65-I70 PolarHBondContact N-O 2.88Å; C65-I70 PolarHBondContact O-N 3.4Å; C65-C87 HydrophobicContact CB-CB 3.61Å; C65-C87 WeakPolarHBondContact CB-SG 3.42Å; C65-C87 VanDerWaalsContact SG-CA 3.54Å; C65-C87 WeakPolarHBondContact SG-CB 3.5Å; C65-C87 CovalentContact SG-SG 2.02Å; C65-C87 PolarHBondContact SG-SG 3.34Å |
| 66 | K | 85.5 | Confident | 82.2 | Confident | 170 Ų | 170 | 66.8 Ų | 66.8 | 74% | 0.739 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.9 | -178.9 | -170.1 | 178.2 | -175.2 | 178.8 | 0 | 114 | Y68 | K66-Y68 VanDerWaalsContact C-N 3.25Å; K66-Y68 PolarHBondContact O-N 2.97Å |
| 67 | K | 83.7 | Confident | 80.4 | Confident | 141 Ų | 141 | 70.4 Ų | 70.4 | 61% | 0.613 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -31.2 | 179.8 | -175.6 | 175.7 | 178.9 | -175.9 | 0 | 112.9 | C65 | C65-K67 PolarHBondContact O-N 3.21Å; C65-K67 VanDerWaalsContact O-N 3.1Å |
| 68 | Y | 84.5 | Confident | 78.6 | Confident | 120 Ų | 120 | 72.1 Ų | 72.1 | 47% | 0.471 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -0.6 | -174.9 | -62 | -57.8 | 0 | 0 | 0 | 113 | C65 K66 I70 N85 | C65-Y68 PolarHBondContact O-N 3.28Å; K66-Y68 VanDerWaalsContact C-N 3.25Å; K66-Y68 PolarHBondContact O-N 2.97Å; Y68-I70 VanDerWaalsContact C-N 3.26Å; Y68-I70 WeakPolarHBondContact O-CG2 2.91Å; Y68-I70 PolarHBondContact O-N 3.39Å; Y68-N85 WeakPolarHBondContact CE2-O 3.45Å |
| 69 | D | 88.5 | Confident | 77 | Confident | 113 Ų | 113 | 73 Ų | 73 | 60% | 0.604 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 44.4 | -174.8 | -64.8 | -46.7 | 0 | 0 | 0 | 113.3 | W64 C65 | W64-D69 WeakPolarHBondContact CH2-O 3.26Å; W64-D69 HydrophobicContact CZ2-CB 4.03Å; C65-D69 PolarHBondContact O-N 3.42Å |
| 70 | I | 89 | Confident | 75.3 | Confident | 80 Ų | 80 | 73.9 Ų | 73.9 | 41% | 0.41 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 150.5 | 178.4 | 63.6 | -179.8 | 0 | 0 | 0 | 111.7 | C65 Y68 | C65-I70 HydrophobicContact CB-CG1 3.9Å; C65-I70 PolarHBondContact N-O 2.88Å; C65-I70 PolarHBondContact O-N 3.4Å; Y68-I70 VanDerWaalsContact C-N 3.26Å; Y68-I70 WeakPolarHBondContact O-CG2 2.91Å; Y68-I70 PolarHBondContact O-N 3.39Å |
| 71 | C | 87.4 | Confident | 73.5 | Confident | 3 Ų | 3 | 78.9 Ų | 78.9 | 2% | 0.02 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 128.7 | 166.4 | -171.8 | 0 | 0 | 0 | 0 | 109.9 | C43 P44 H46 C52 W64 | C43-C71 VanDerWaalsContact O-CB 3.23Å; C43-C71 WeakPolarHBondContact O-CB 3.42Å; C43-C71 PolarHBondContact O-SG 2.02Å; P44-C71 VanDerWaalsContact CA-O 3.28Å; P44-C71 WeakPolarHBondContact CA-O 3.12Å; H46-C71 HydrophobicContact CB-CB 4.19Å; H46-C71 VanDerWaalsContact O-CB 3.28Å; H46-C71 WeakPolarHBondContact O-CB 3.04Å; C52-C71 WeakPolarHBondContact CA-SG 3.46Å; C52-C71 HydrophobicContact CB-CB 3.59Å; C52-C71 WeakPolarHBondContact CB-SG 3.25Å; C52-C71 VanDerWaalsContact SG-CA 3.56Å; C52-C71 WeakPolarHBondContact SG-CB 3.41Å; C52-C71 CovalentContact SG-SG 2.01Å; C52-C71 PolarHBondContact SG-SG 2.95Å; W64-C71 HydrophobicContact CE3-CB 3.97Å; W64-C71 HydrophobicContact CZ3-CB 4.12Å |
| 72 | T | 85.4 | Confident | 71.7 | Confident | 24 Ų | 24 | 76.2 Ų | 76.2 | 15% | 0.147 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 153.8 | 179.1 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | I63 | I63-T72 HydrophobicContact CD1-CG2 4.15Å; I63-T72 HydrophobicContact CG1-CG2 3.72Å; I63-T72 WeakPolarHBondContact CG1-O 3.26Å; I63-T72 PolarHBondContact N-O 3.37Å; I63-T72 PolarHBondContact O-N 3.1Å |
| 73 | A | 81.9 | Confident | 69.8 | Low | 11 Ų | 11 | 84.6 Ų | 84.6 | 9% | 0.091 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 140.4 | 168 | 0 | 0 | 0 | 0 | 0 | 109.4 | C43 I60 K61 | C43-A73 VanDerWaalsContact SG-CA 3.52Å; C43-A73 PolarHBondContact SG-N 3.48Å; I60-A73 HydrophobicContact CG2-CB 4.35Å; K61-A73 CarbonylContact O-C 3.53Å; K61-A73 WeakPolarHBondContact O-CA 3.37Å |
| 74 | S | 74.8 | Confident | 67.9 | Low | 8 Ų | 8 | 89.4 Ų | 89.4 | 6% | 0.056 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 122 | 159.3 | 64.7 | 0 | 0 | 0 | 0 | 107.8 | K61 D76 L82 | K61-S74 WeakPolarHBondContact CB-OG 3.44Å; K61-S74 WeakPolarHBondContact CD-OG 3.38Å; K61-S74 VanDerWaalsContact CG-OG 3.28Å; K61-S74 WeakPolarHBondContact CG-OG 3.36Å; K61-S74 PolarHBondContact O-N 3.34Å; K61-S74 PolarHBondContact O-OG 2.9Å; S74-D76 PolarHBondContact O-N 3.06Å; S74-L82 VanDerWaalsContact CA-CD1 3.45Å |
| 75 | S | 62 | Low | 66.1 | Low | 41 Ų | 41 | 91.1 Ų | 91.1 | 29% | 0.287 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 125.2 | 163.3 | 55.9 | 0 | 0 | 0 | 0 | 107.2 | E77 D78 L82 | S75-E77 CarbonylContact O-C 3.24Å; S75-E77 VanDerWaalsContact O-C 3.24Å; S75-E77 PolarHBondContact O-N 3.42Å; S75-D78 PolarHBondContact O-N 2.82Å; S75-D78 VanDerWaalsContact O-N 3.14Å; S75-L82 VanDerWaalsContact OG-CD1 3.27Å; S75-L82 WeakPolarHBondContact OG-CD1 3.44Å; S75-L82 WeakPolarHBondContact OG-CG 3.34Å |
| 76 | D | 53 | Low | 65 | Low | 136 Ų | 136 | 92.9 Ų | 92.9 | 73% | 0.727 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -56.3 | -16.6 | 175.2 | -66.3 | -47.3 | 0 | 0 | 0 | 113.1 | S74 D78 | S74-D76 PolarHBondContact O-N 3.06Å; D76-D78 PolarHBondContact O-N 3.05Å |
| 77 | E | 51 | Low | 64 | Low | 136 Ų | 136 | 85.3 Ų | 85.3 | 64% | 0.636 | 44% | 0.438 | S | S | * | . | trans | -68.3 | 56.9 | 157.2 | -69.6 | -168.8 | 169.9 | 0 | 0 | 111.3 | S75 N79 H80 | S75-E77 CarbonylContact O-C 3.24Å; S75-E77 VanDerWaalsContact O-C 3.24Å; S75-E77 PolarHBondContact O-N 3.42Å; E77-N79 PolarHBondContact O-N 3.4Å; E77-H80 PolarHBondContact O-N 2.92Å | ||
| 78 | D | 46.7 | Very low | 62.8 | Low | 100 Ų | 100 | 86.2 Ų | 86.2 | 54% | 0.535 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 9.2 | 167.4 | -103.2 | -24.8 | 0 | 0 | 0 | 112.6 | S75 D76 | S75-D78 PolarHBondContact O-N 2.82Å; S75-D78 VanDerWaalsContact O-N 3.14Å; D76-D78 PolarHBondContact O-N 3.05Å |
| 79 | N | 46.3 | Very low | 61.5 | Low | 133 Ų | 133 | 83.4 Ų | 83.4 | 71% | 0.711 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | -18.1 | -176 | -145.5 | 10.6 | 0 | 0 | 0 | 116.6 | E77 | E77-N79 PolarHBondContact O-N 3.4Š|
| 80 | H | 45.6 | Very low | 59.8 | Low | 150 Ų | 150 | 86.9 Ų | 86.9 | 69% | 0.694 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.1 | -43.8 | 179 | -92.6 | -57.2 | 0 | 0 | 0 | 118.8 | E77 | E77-H80 PolarHBondContact O-N 2.92Š|
| 81 | E | 43.6 | Very low | 58 | Low | 140 Ų | 140 | 89.6 Ų | 89.6 | 65% | 0.654 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -35.4 | -167.7 | -65.7 | -160.8 | 153.4 | 0 | 0 | 114.8 | K83 V84 | E81-K83 PolarHBondContact O-N 3.38Å; E81-V84 VanDerWaalsContact O-CB 3.26Å; E81-V84 WeakPolarHBondContact O-CB 3.37Å; E81-V84 VanDerWaalsContact O-CG2 3.26Å; E81-V84 WeakPolarHBondContact O-CG2 3.5Å; E81-V84 PolarHBondContact O-N 3.11Å |
| 82 | L | 48.1 | Very low | 55.7 | Low | 31 Ų | 31 | 102.5 Ų | 102.5 | 16% | 0.162 | 53% | 0.528 | C | S | . | . | G | 310 helix | trans | -73.8 | -12 | -178.1 | -75.2 | 179.2 | 0 | 0 | 0 | 115.1 | S74 S75 V84 N85 | S74-L82 VanDerWaalsContact CA-CD1 3.45Å; S75-L82 VanDerWaalsContact OG-CD1 3.27Å; S75-L82 WeakPolarHBondContact OG-CD1 3.44Å; S75-L82 WeakPolarHBondContact OG-CG 3.34Å; L82-V84 PolarHBondContact O-N 2.78Å; L82-N85 PolarHBondContact O-N 2.86Å |
| 83 | K | 46.9 | Very low | 54.3 | Low | 180 Ų | 180 | 106.4 Ų | 106.4 | 78% | 0.783 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -60.6 | -23.1 | 165.1 | -107 | 178.8 | -179 | 172.4 | 0 | 112.3 | E81 | E81-K83 PolarHBondContact O-N 3.38Š|
| 84 | V | 47.4 | Very low | 52.8 | Low | 117 Ų | 117 | 111.4 Ų | 111.4 | 71% | 0.709 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -71.9 | -31.3 | -176.4 | -177.9 | 0 | 0 | 0 | 0 | 111.8 | E81 L82 G86 | E81-V84 VanDerWaalsContact O-CB 3.26Å; E81-V84 WeakPolarHBondContact O-CB 3.37Å; E81-V84 VanDerWaalsContact O-CG2 3.26Å; E81-V84 WeakPolarHBondContact O-CG2 3.5Å; E81-V84 PolarHBondContact O-N 3.11Å; L82-V84 PolarHBondContact O-N 2.78Å; V84-G86 PolarHBondContact O-N 3.17Å |
| 85 | N | 53 | Low | 51.6 | Low | 78 Ų | 78 | 117.2 Ų | 117.2 | 42% | 0.417 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -88.6 | 3.2 | -174.1 | -71.6 | -0.4 | 0 | 0 | 0 | 113.8 | Y68 L82 C87 | Y68-N85 WeakPolarHBondContact CE2-O 3.45Å; L82-N85 PolarHBondContact O-N 2.86Å; N85-C87 PolarHBondContact O-N 3.38Å; N85-C87 PolarHBondContact O-SG 3.47Å; N85-C87 VanDerWaalsContact O-SG 3.39Å |
| 86 | G | 60 | Low | 51 | Low | 38 Ų | 38 | 121.6 Ų | 121.6 | 39% | 0.392 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 61.9 | 11.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | V84 Q88 | V84-G86 PolarHBondContact O-N 3.17Å; G86-Q88 VanDerWaalsContact C-N 3.33Å; G86-Q88 PolarHBondContact O-N 3.16Å |
| 87 | C | 66.5 | Low | 50.8 | Low | 12 Ų | 12 | 120.8 Ų | 120.8 | 8% | 0.081 | 61% | 0.611 | C | S | . | * | trans | -87 | 78.3 | 170 | -46.3 | 0 | 0 | 0 | 0 | 106.5 | I63 C65 N85 V89 | I63-C87 HydrophobicContact CD1-CB 4.39Å; C65-C87 HydrophobicContact CB-CB 3.61Å; C65-C87 WeakPolarHBondContact CB-SG 3.42Å; C65-C87 VanDerWaalsContact SG-CA 3.54Å; C65-C87 WeakPolarHBondContact SG-CB 3.5Å; C65-C87 CovalentContact SG-SG 2.02Å; C65-C87 PolarHBondContact SG-SG 3.34Å; N85-C87 PolarHBondContact O-N 3.38Å; N85-C87 PolarHBondContact O-SG 3.47Å; N85-C87 VanDerWaalsContact O-SG 3.39Å; C87-V89 PolarHBondContact O-N 3.31Å | ||
| 88 | Q | 57.4 | Low | 50.8 | Low | 160 Ų | 160 | 119.7 Ų | 119.7 | 75% | 0.748 | 61% | 0.609 | S | S | * | * | trans | -72.6 | 126.2 | 173.7 | -66.6 | -164.5 | -1.8 | 0 | 0 | 108.4 | G86 E90 | G86-Q88 VanDerWaalsContact C-N 3.33Å; G86-Q88 PolarHBondContact O-N 3.16Å; Q88-E90 PolarHBondContact O-N 3.44Å | ||
| 89 | V | 57.5 | Low | 51.1 | Low | 60 Ų | 60 | 121.1 Ų | 121.1 | 36% | 0.364 | 62% | 0.615 | S | S | . | * | trans | -65.5 | 113.6 | 164.3 | -175.6 | 0 | 0 | 0 | 0 | 105.8 | I63 C87 V91 | I63-V89 HydrophobicContact CD1-CG2 3.95Å; I63-V89 HydrophobicContact CG2-CG2 3.96Å; C87-V89 PolarHBondContact O-N 3.31Å; V89-V91 PolarHBondContact O-N 2.81Å | ||
| 90 | E | 53.2 | Low | 51.5 | Low | 186 Ų | 186 | 120.2 Ų | 120.2 | 87% | 0.869 | 61% | 0.607 | S | S | * | * | trans | -64.3 | 102 | 171.1 | -69.3 | -173.5 | -178.9 | 0 | 0 | 107.6 | Q88 K92 | Q88-E90 PolarHBondContact O-N 3.44Å; E90-K92 PolarHBondContact O-N 3.01Å | ||
| 91 | V | 50.1 | Low | 52 | Low | 138 Ų | 138 | 117.8 Ų | 117.8 | 84% | 0.836 | 60% | 0.6 | S | S | * | * | trans | -73.3 | 114.9 | 169.3 | -174.5 | 0 | 0 | 0 | 0 | 106.3 | V89 | V89-V91 PolarHBondContact O-N 2.81Š| ||
| 92 | K | 40.4 | Very low | 52.8 | Low | 273 Ų | 273 | 115.7 Ų | 115.7 | 100% | 1.187 | 60% | 0.595 | S | S | * | * | trans | -91.3 | 0 | 173.1 | -131.6 | -175 | -171.8 | 178.5 | 0 | 110.6 | E90 | E90-K92 PolarHBondContact O-N 3.01Š|
Retrieved 92 of 92 residues in 69.2 ms
(Link to these results)