| 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 | 40.1 | Very low | 38.5 | Very low | 221 Ų | 221 | 139.5 Ų | 139.5 | 100% | 1.089 | 78% | 0.78 | S | S | * | * | 0 | 109.5 | 0 | 6.2 | 171.5 | 170.6 | 0 | 0 | 107.7 | |||||
| 2 | K | 32.2 | Very low | 38.6 | Very low | 201 Ų | 201 | 138.6 Ų | 138.6 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | 122 | 66.2 | 178.8 | -65.7 | 148.5 | -175.3 | 168.2 | 0 | 113.2 | ||||
| 3 | C | 34.1 | Very low | 39 | Very low | 124 Ų | 124 | 137 Ų | 137 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | -105.6 | 58.2 | 147.8 | -81 | 0 | 0 | 0 | 0 | 108 | ||||
| 4 | V | 35.9 | Very low | 39.3 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | trans | -140 | 67.6 | 171.4 | -167.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 5 | L | 39.4 | Very low | 39.8 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -142.4 | 31.2 | 172 | -163.5 | 60.3 | 0 | 0 | 0 | 112.1 | ||
| 6 | S | 41.2 | Very low | 40 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -138.2 | -16.9 | 177.3 | -67.1 | 0 | 0 | 0 | 0 | 119.5 | ||
| 7 | C | 43.4 | Very low | 40.3 | Very low | 75 Ų | 75 | 126.6 Ų | 126.6 | 51% | 0.507 | 73% | 0.732 | S | S | . | * | S | Bend | trans | -152.6 | 129.3 | 171.8 | -46.5 | 0 | 0 | 0 | 0 | 106.7 | ||
| 8 | I | 41.8 | Very low | 40.8 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 58% | 0.579 | 73% | 0.728 | S | S | * | * | cis | -158 | 151.9 | 40.4 | -65.7 | 163.8 | 0 | 0 | 0 | 107.7 | ||||
| 9 | P | 39.8 | Very low | 41.3 | Very low | 127 Ų | 127 | 126.7 Ų | 126.7 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | trans | -80.6 | 138.3 | 178.8 | 30.2 | -34 | 0 | 0 | 0 | 115.2 | ||||
| 10 | E | 34.6 | Very low | 42 | Very low | 171 Ų | 171 | 127.4 Ų | 127.4 | 80% | 0.799 | 73% | 0.725 | S | S | * | * | trans | -83.5 | 156.5 | 175.5 | -100.4 | -174.6 | 84.9 | 0 | 0 | 114.9 | T12 | E10-T12 PolarHBondContact O-N 2.89Š| ||
| 11 | P | 41.1 | Very low | 42.4 | Very low | 103 Ų | 103 | 124.2 Ų | 124.2 | 67% | 0.669 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 43.4 | -154.3 | 39.6 | -39.4 | 0 | 0 | 0 | 116.2 | V14 | P11-V14 WeakPolarHBondContact O-CG2 3.17Š|
| 12 | T | 40.3 | Very low | 43 | Very low | 128 Ų | 128 | 119.6 Ų | 119.6 | 79% | 0.785 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | -5.9 | 176.8 | 52.6 | 0 | 0 | 0 | 0 | 115.1 | E10 V14 | E10-T12 PolarHBondContact O-N 2.89Å; T12-V14 PolarHBondContact O-N 3.49Å |
| 13 | V | 42.8 | Very low | 44.1 | Very low | 118 Ų | 118 | 116.6 Ų | 116.6 | 72% | 0.715 | 68% | 0.682 | S | S | * | * | trans | -83.5 | 35.5 | 176.1 | -160.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 14 | V | 43.3 | Very low | 45.1 | Very low | 91 Ų | 91 | 112.5 Ų | 112.5 | 55% | 0.552 | 66% | 0.661 | S | S | * | * | trans | -91.7 | -3.9 | -165.7 | 177 | 0 | 0 | 0 | 0 | 113.7 | P11 T12 | P11-V14 WeakPolarHBondContact O-CG2 3.17Å; T12-V14 PolarHBondContact O-N 3.49Å | ||
| 15 | M | 47.3 | Very low | 45.9 | Very low | 151 Ų | 151 | 111.7 Ų | 111.7 | 74% | 0.744 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -126.5 | -21.2 | -171.3 | -81.1 | -178.3 | 4.2 | 0 | 0 | 118.2 | ||
| 16 | A | 42.7 | Very low | 46.8 | Very low | 101 Ų | 101 | 109.1 Ų | 109.1 | 84% | 0.835 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -94.5 | -14.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 17 | A | 45.3 | Very low | 47.3 | Very low | 29 Ų | 29 | 110.4 Ų | 110.4 | 24% | 0.24 | 64% | 0.64 | C | S | . | * | trans | -98.7 | 5.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | A19 L20 C21 | A17-A19 VanDerWaalsContact C-N 3.31Å; A17-A19 PolarHBondContact O-N 3.02Å; A17-L20 PolarHBondContact O-N 3.21Å; A17-L20 VanDerWaalsContact O-N 3.15Å; A17-C21 VanDerWaalsContact CB-SG 3.56Å; A17-C21 VanDerWaalsContact O-CB 3.24Å; A17-C21 WeakPolarHBondContact O-CB 3.43Å; A17-C21 PolarHBondContact O-N 2.92Å; A17-C21 PolarHBondContact O-SG 3.39Å | ||
| 18 | R | 49.6 | Very low | 47.8 | Very low | 173 Ų | 173 | 110.1 Ų | 110.1 | 65% | 0.653 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -60.7 | -33.6 | -168.8 | -67.5 | -177.5 | 174.2 | -171.9 | -2.4 | 114.7 | ||
| 19 | A | 50.9 | Low | 48.2 | Very low | 82 Ų | 82 | 112.1 Ų | 112.1 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -83 | -30.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A17 | A17-A19 VanDerWaalsContact C-N 3.31Å; A17-A19 PolarHBondContact O-N 3.02Å |
| 20 | L | 54.3 | Low | 49 | Very low | 139 Ų | 139 | 111.4 Ų | 111.4 | 73% | 0.728 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -87.3 | -25 | -179.6 | -69.8 | 164.2 | 0 | 0 | 0 | 112 | A17 G24 | A17-L20 PolarHBondContact O-N 3.21Å; A17-L20 VanDerWaalsContact O-N 3.15Å; L20-G24 PolarHBondContact O-N 3.35Å |
| 21 | C | 50.6 | Low | 50.2 | Low | 61 Ų | 61 | 107.8 Ų | 107.8 | 41% | 0.412 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -65.4 | -38.4 | 176.6 | -79.9 | 0 | 0 | 0 | 0 | 113.6 | A17 L23 G24 L25 | A17-C21 VanDerWaalsContact CB-SG 3.56Å; A17-C21 VanDerWaalsContact O-CB 3.24Å; A17-C21 WeakPolarHBondContact O-CB 3.43Å; A17-C21 PolarHBondContact O-N 2.92Å; A17-C21 PolarHBondContact O-SG 3.39Å; C21-L23 VanDerWaalsContact C-N 3.31Å; C21-L23 PolarHBondContact O-N 3.36Å; C21-G24 PolarHBondContact O-N 3.49Å; C21-L25 HydrophobicContact CB-CD1 4.45Å; C21-L25 WeakPolarHBondContact O-CB 3.43Å; C21-L25 WeakPolarHBondContact O-CD1 3.12Å; C21-L25 WeakPolarHBondContact O-CG 3.37Å; C21-L25 PolarHBondContact O-N 2.7Å |
| 22 | L | 53 | Low | 50.7 | Low | 125 Ų | 125 | 108 Ų | 108 | 65% | 0.654 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66 | -33.4 | -177.3 | -66.2 | 177.6 | 0 | 0 | 0 | 112.8 | L25 | L22-L25 HydrophobicContact CD2-CD1 4.24Å |
| 23 | L | 53.9 | Low | 51.4 | Low | 137 Ų | 137 | 107.9 Ų | 107.9 | 72% | 0.717 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -74.7 | -34.7 | 175.6 | -98.6 | 140.3 | 0 | 0 | 0 | 112.8 | C21 | C21-L23 VanDerWaalsContact C-N 3.31Å; C21-L23 PolarHBondContact O-N 3.36Å |
| 24 | G | 56.2 | Low | 51.8 | Low | 38 Ų | 38 | 106.4 Ų | 106.4 | 39% | 0.392 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -76.9 | -29.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L20 C21 V26 L27 A28 | L20-G24 PolarHBondContact O-N 3.35Å; C21-G24 PolarHBondContact O-N 3.49Å; G24-V26 VanDerWaalsContact C-N 3.28Å; G24-V26 PolarHBondContact O-N 3.41Å; G24-L27 PolarHBondContact O-N 2.84Å; G24-L27 VanDerWaalsContact O-N 3.13Å; G24-A28 PolarHBondContact O-N 3.45Å |
| 25 | L | 53.5 | Low | 52.1 | Low | 102 Ų | 102 | 106.4 Ų | 106.4 | 53% | 0.534 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -63.6 | -30 | -179.6 | -81.2 | 163.3 | 0 | 0 | 0 | 113.2 | C21 L22 L27 L29 | C21-L25 HydrophobicContact CB-CD1 4.45Å; C21-L25 WeakPolarHBondContact O-CB 3.43Å; C21-L25 WeakPolarHBondContact O-CD1 3.12Å; C21-L25 WeakPolarHBondContact O-CG 3.37Å; C21-L25 PolarHBondContact O-N 2.7Å; L22-L25 HydrophobicContact CD2-CD1 4.24Å; L25-L27 VanDerWaalsContact C-N 3.32Å; L25-L29 WeakPolarHBondContact O-CG 3.39Å |
| 26 | V | 57.3 | Low | 52 | Low | 112 Ų | 112 | 106.1 Ų | 106.1 | 68% | 0.679 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -31.2 | 176.3 | -176.1 | 0 | 0 | 0 | 0 | 111.6 | G24 | G24-V26 VanDerWaalsContact C-N 3.28Å; G24-V26 PolarHBondContact O-N 3.41Å |
| 27 | L | 52.3 | Low | 52 | Low | 143 Ų | 143 | 111.6 Ų | 111.6 | 75% | 0.749 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -24 | -179.9 | -72.2 | 164.3 | 0 | 0 | 0 | 113.1 | G24 L25 | G24-L27 PolarHBondContact O-N 2.84Å; G24-L27 VanDerWaalsContact O-N 3.13Å; L25-L27 VanDerWaalsContact C-N 3.32Å |
| 28 | A | 52.7 | Low | 52.1 | Low | 68 Ų | 68 | 117 Ų | 117 | 56% | 0.562 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -8.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | G24 V30 | G24-A28 PolarHBondContact O-N 3.45Å; A28-V30 VanDerWaalsContact C-N 3.33Å |
| 29 | L | 51.5 | Low | 52.2 | Low | 156 Ų | 156 | 110.8 Ų | 110.8 | 82% | 0.817 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -12.7 | 177.7 | -67.1 | 174.7 | 0 | 0 | 0 | 113.4 | L25 | L25-L29 WeakPolarHBondContact O-CG 3.39Š|
| 30 | V | 57 | Low | 52.2 | Low | 112 Ų | 112 | 110.2 Ų | 110.2 | 68% | 0.679 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -110.8 | 122.3 | 168.6 | 163.4 | 0 | 0 | 0 | 0 | 106.4 | A28 | A28-V30 VanDerWaalsContact C-N 3.33Š|
| 31 | S | 58.6 | Low | 52.4 | Low | 95 Ų | 95 | 106.5 Ų | 106.5 | 66% | 0.664 | 64% | 0.641 | S | S | * | * | S | Bend | trans | 69.4 | 97.4 | -176.9 | -0.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 32 | S | 52.4 | Low | 52.9 | Low | 106 Ų | 106 | 107.9 Ų | 107.9 | 74% | 0.741 | 66% | 0.658 | S | S | * | * | -169.6 | 99.4 | 78.1 | -60.5 | 0 | 0 | 0 | 0 | 109.4 | S34 | S32-S34 PolarHBondContact O-N 2.9Š| |||
| 33 | S | 54.6 | Low | 53.6 | Low | 127 Ų | 127 | 107.6 Ų | 107.6 | 89% | 0.888 | 66% | 0.657 | S | S | * | * | trans | -84.2 | 76.5 | 158 | 53.3 | 0 | 0 | 0 | 0 | 107.8 | A35 | S33-A35 PolarHBondContact O-N 3.43Å; S33-A35 VanDerWaalsContact O-N 3.14Å | ||
| 34 | S | 51.8 | Low | 54.6 | Low | 86 Ų | 86 | 103.6 Ų | 103.6 | 60% | 0.601 | 63% | 0.634 | S | S | * | * | trans | -75.2 | 92.6 | 154.2 | 52.6 | 0 | 0 | 0 | 0 | 105.9 | S32 E36 | S32-S34 PolarHBondContact O-N 2.9Å; S34-E36 PolarHBondContact O-N 2.93Å | ||
| 35 | A | 49.2 | Very low | 55.9 | Low | 92 Ų | 92 | 104 Ų | 104 | 76% | 0.76 | 63% | 0.631 | S | S | * | * | trans | -61.8 | 93.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | S33 Y37 | S33-A35 PolarHBondContact O-N 3.43Å; S33-A35 VanDerWaalsContact O-N 3.14Å; A35-Y37 PolarHBondContact O-N 3.43Å | ||
| 36 | E | 44.4 | Very low | 57.5 | Low | 145 Ų | 145 | 102.3 Ų | 102.3 | 68% | 0.678 | 63% | 0.631 | S | S | * | * | trans | -67.7 | 82.1 | 164.3 | -62.5 | -78.5 | 107 | 0 | 0 | 105.9 | S34 V38 | S34-E36 PolarHBondContact O-N 2.93Å; E36-V38 PolarHBondContact O-N 3.41Å | ||
| 37 | Y | 43.4 | Very low | 58.7 | Low | 215 Ų | 215 | 97.5 Ų | 97.5 | 84% | 0.843 | 60% | 0.602 | S | S | * | * | trans | -65.5 | 107.6 | 169.7 | -170.9 | -95.8 | 0 | 0 | 0 | 106.3 | A35 G39 | A35-Y37 PolarHBondContact O-N 3.43Å; Y37-G39 PolarHBondContact O-N 2.95Å | ||
| 38 | V | 47.6 | Very low | 60.4 | Low | 142 Ų | 142 | 93.7 Ų | 93.7 | 86% | 0.861 | 59% | 0.586 | S | S | * | * | trans | -67.3 | 77.3 | 175.3 | -173.9 | 0 | 0 | 0 | 0 | 108.1 | E36 | E36-V38 PolarHBondContact O-N 3.41Š| ||
| 39 | G | 51.4 | Low | 62 | Low | 44 Ų | 44 | 91.7 Ų | 91.7 | 45% | 0.454 | 57% | 0.569 | S | S | . | * | trans | -91 | 124.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | Y37 S41 | Y37-G39 PolarHBondContact O-N 2.95Å; G39-S41 PolarHBondContact O-N 3.28Å | ||
| 40 | L | 51.2 | Low | 63.7 | Low | 70 Ų | 70 | 92.6 Ų | 92.6 | 37% | 0.366 | 57% | 0.567 | S | S | . | * | trans | -42.4 | 116.5 | 163.9 | -105.6 | 64.6 | 0 | 0 | 0 | 108.5 | ||||
| 41 | S | 59 | Low | 65.1 | Low | 60 Ų | 60 | 91.7 Ų | 91.7 | 42% | 0.42 | 56% | 0.558 | S | S | . | * | trans | -67.5 | 136.3 | 178.7 | 171.1 | 0 | 0 | 0 | 0 | 108.6 | G39 N43 Q44 | G39-S41 PolarHBondContact O-N 3.28Å; S41-N43 PolarHBondContact O-N 2.99Å; S41-Q44 WeakPolarHBondContact O-CB 3.39Å; S41-Q44 PolarHBondContact O-N 3.12Å | ||
| 42 | A | 60.7 | Low | 66.5 | Low | 91 Ų | 91 | 88.6 Ų | 88.6 | 75% | 0.752 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -53.8 | -23 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 43 | N | 67.6 | Low | 68.2 | Low | 118 Ų | 118 | 88 Ų | 88 | 63% | 0.631 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -75 | -20.5 | 176.6 | -77.8 | -64.4 | 0 | 0 | 0 | 114.1 | S41 C45 | S41-N43 PolarHBondContact O-N 2.99Å; N43-C45 VanDerWaalsContact C-N 3.29Å; N43-C45 PolarHBondContact O-N 2.9Å |
| 44 | Q | 74.4 | Confident | 69.9 | Low | 54 Ų | 54 | 86.2 Ų | 86.2 | 25% | 0.252 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -74.9 | -18.2 | -178.9 | -75.7 | 138.4 | 24.6 | 0 | 0 | 113.1 | S41 P85 L86 | S41-Q44 WeakPolarHBondContact O-CB 3.39Å; S41-Q44 PolarHBondContact O-N 3.12Å; Q44-P85 HydrophobicContact CB-CB 3.85Å; Q44-P85 CarbonylContact O-C 3.5Å; Q44-P85 WeakPolarHBondContact O-CA 3.5Å; Q44-P85 WeakPolarHBondContact O-CB 3.37Å; Q44-L86 PolarHBondContact O-N 3.37Å |
| 45 | C | 84.3 | Confident | 71.7 | Confident | 47 Ų | 47 | 83 Ų | 83 | 32% | 0.318 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -96.2 | 1.8 | 179 | -64.2 | 0 | 0 | 0 | 0 | 114.6 | N43 V47 C71 | N43-C45 VanDerWaalsContact C-N 3.29Å; N43-C45 PolarHBondContact O-N 2.9Å; C45-V47 PolarHBondContact O-N 2.84Å; C45-C71 WeakPolarHBondContact CA-SG 3.49Å; C45-C71 HydrophobicContact CB-CB 3.58Å; C45-C71 WeakPolarHBondContact CB-SG 3.35Å; C45-C71 WeakPolarHBondContact SG-CB 3.37Å; C45-C71 CovalentContact SG-SG 2.04Å; C45-C71 PolarHBondContact SG-SG 2.73Å |
| 46 | A | 85.4 | Confident | 73.5 | Confident | 66 Ų | 66 | 79.5 Ų | 79.5 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | trans | -78.9 | 52.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 47 | V | 83.6 | Confident | 75.3 | Confident | 10 Ų | 10 | 77.2 Ų | 77.2 | 6% | 0.061 | 44% | 0.44 | C | S | . | . | trans | -90.9 | 123.4 | 179.1 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | C45 D51 R52 F83 L86 | C45-V47 PolarHBondContact O-N 2.84Å; V47-D51 HydrophobicContact CG1-CB 4.35Å; V47-R52 HydrophobicContact CB-CG 4.31Å; V47-R52 HydrophobicContact CG1-CG 3.95Å; V47-R52 PolarHBondContact O-NE 2.03Å; V47-F83 HydrophobicContact CB-CD2 3.75Å; V47-F83 HydrophobicContact CB-CE2 3.54Å; V47-F83 HydrophobicContact CG1-CD2 4.36Å; V47-F83 HydrophobicContact CG2-CD2 3.77Å; V47-F83 HydrophobicContact CG2-CE2 3.6Å; V47-L86 HydrophobicContact CB-CD2 4.49Å; V47-L86 HydrophobicContact CG2-CD2 3.76Å; V47-L86 HydrophobicContact CG2-CG 3.67Å | ||
| 48 | P | 87.3 | Confident | 76.9 | Confident | 63 Ų | 63 | 72.5 Ų | 72.5 | 41% | 0.409 | 44% | 0.436 | S | S | . | . | trans | -62.4 | 142.1 | 175.1 | 27.3 | -34.9 | 0 | 0 | 0 | 110.8 | K50 D51 R52 | P48-K50 HydrophobicContact CB-CG 4.34Å; P48-K50 PolarHBondContact O-N 3.49Å; P48-D51 HydrophobicContact CG-CB 4.04Å; P48-D51 WeakPolarHBondContact CG-OD2 3.24Å; P48-D51 PolarHBondContact O-N 2.79Å; P48-R52 PolarHBondContact O-N 3.19Å | ||
| 49 | A | 85.9 | Confident | 78.5 | Confident | 26 Ų | 26 | 74.5 Ų | 74.5 | 22% | 0.215 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -51.5 | -35.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115 | D51 R52 I76 V79 | A49-D51 VanDerWaalsContact C-N 3.32Å; A49-D51 PolarHBondContact O-N 3.42Å; A49-R52 PolarHBondContact O-N 3.32Å; A49-I76 HydrophobicContact CB-CD1 3.56Å; A49-I76 HydrophobicContact CB-CG2 4.27Å; A49-V79 HydrophobicContact CB-CG1 4.08Å; A49-V79 HydrophobicContact CB-CG2 4.3Å |
| 50 | K | 86.9 | Confident | 80.2 | Confident | 176 Ų | 176 | 72.7 Ų | 72.7 | 77% | 0.765 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -69.1 | -25.5 | 179.1 | 57.6 | 166.4 | -172.8 | 169 | 0 | 114.3 | P48 | P48-K50 HydrophobicContact CB-CG 4.34Å; P48-K50 PolarHBondContact O-N 3.49Å |
| 51 | D | 87.2 | Confident | 82 | Confident | 93 Ų | 93 | 72.2 Ų | 72.2 | 50% | 0.497 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -106.1 | 7.7 | -176.6 | -55.4 | -42.5 | 0 | 0 | 0 | 110.9 | V47 P48 A49 V53 | V47-D51 HydrophobicContact CG1-CB 4.35Å; P48-D51 HydrophobicContact CG-CB 4.04Å; P48-D51 WeakPolarHBondContact CG-OD2 3.24Å; P48-D51 PolarHBondContact O-N 2.79Å; A49-D51 VanDerWaalsContact C-N 3.32Å; A49-D51 PolarHBondContact O-N 3.42Å; D51-V53 PolarHBondContact O-N 3.26Å |
| 52 | R | 88.6 | Confident | 83.3 | Confident | 30 Ų | 30 | 72.4 Ų | 72.4 | 11% | 0.113 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 118.2 | 177.1 | -71 | -177.1 | -176.2 | 175.2 | 2.2 | 110.1 | V47 P48 A49 D73 P80 F83 | V47-R52 HydrophobicContact CB-CG 4.31Å; V47-R52 HydrophobicContact CG1-CG 3.95Å; V47-R52 PolarHBondContact O-NE 2.03Å; P48-R52 PolarHBondContact O-N 3.19Å; A49-R52 PolarHBondContact O-N 3.32Å; R52-D73 IonicContact CZ-OD1 3.2Å; R52-D73 PolarHBondContact NH1-O 2Å; R52-D73 IonicContact NH1-OD1 2.84Å; R52-D73 PolarHBondContact NH1-OD1 3.44Å; R52-D73 IonicContact NH2-OD1 2.7Å; R52-D73 PolarHBondContact NH2-OD1 2.88Å; R52-P80 HydrophobicContact CB-CG 3.9Å; R52-F83 HydrophobicContact CB-CB 3.78Å; R52-F83 HydrophobicContact CB-CG 4.09Å; R52-F83 HydrophobicContact CG-CB 4.01Å; R52-F83 HydrophobicContact CG-CD1 4.1Å; R52-F83 HydrophobicContact CG-CD2 3.95Å; R52-F83 HydrophobicContact CG-CE2 4.5Å; R52-F83 HydrophobicContact CG-CG 3.73Å |
| 53 | V | 88.7 | Confident | 84.6 | Confident | 93 Ų | 93 | 75.2 Ų | 75.2 | 56% | 0.564 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -93.5 | 124.8 | 171.5 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | D51 C55 F83 K84 | D51-V53 PolarHBondContact O-N 3.26Å; V53-C55 PolarHBondContact O-N 3.13Å; V53-F83 CarbonylContact O-C 3.53Å; V53-F83 WeakPolarHBondContact O-CA 3.34Å; V53-F83 WeakPolarHBondContact O-CB 3.01Å; V53-K84 HydrophobicContact CB-CB 4.42Å; V53-K84 HydrophobicContact CB-CG 4.34Å; V53-K84 HydrophobicContact CG1-CG 4.37Å; V53-K84 PolarHBondContact O-N 3.06Å |
| 54 | D | 90.3 | Very high | 85.5 | Confident | 89 Ų | 89 | 73.5 Ų | 73.5 | 48% | 0.476 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -55.7 | 132.7 | 178.2 | -170.8 | -82.2 | 0 | 0 | 0 | 111.5 | G56 P80 | D54-G56 PolarHBondContact OD1-N 3.21Å; D54-P80 HydrophobicContact CB-CB 4.04Å; D54-P80 HydrophobicContact CB-CG 4.44Å; D54-P80 WeakPolarHBondContact OD2-CB 3.26Å |
| 55 | C | 88.4 | Confident | 86.2 | Confident | 19 Ų | 19 | 71 Ų | 71 | 13% | 0.128 | 39% | 0.39 | C | S | . | . | trans | -121.9 | 7.7 | 177 | -176 | 0 | 0 | 0 | 0 | 112.5 | V53 C70 C82 K84 | V53-C55 PolarHBondContact O-N 3.13Å; C55-C70 HydrophobicContact CB-CB 3.64Å; C55-C70 WeakPolarHBondContact CB-SG 3.36Å; C55-C70 WeakPolarHBondContact SG-CB 3.35Å; C55-C70 CovalentContact SG-SG 2Å; C55-C70 PolarHBondContact SG-SG 3.04Å; C55-C82 PolarHBondContact N-O 3.17Å; C55-K84 HydrophobicContact CB-CD 4.03Å; C55-K84 HydrophobicContact CB-CG 4.1Å | ||
| 56 | G | 86.5 | Confident | 86.2 | Confident | 19 Ų | 19 | 72.8 Ų | 72.8 | 20% | 0.196 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -142.2 | -145 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D54 | D54-G56 PolarHBondContact OD1-N 3.21Š|
| 57 | Y | 82.8 | Confident | 86.2 | Confident | 97 Ų | 97 | 76.4 Ų | 76.4 | 38% | 0.38 | 41% | 0.407 | S | S | . | . | trans | -138.3 | 159.8 | 172.4 | 42 | -94.3 | 0 | 0 | 0 | 108.2 | E59 V60 Q64 | Y57-E59 PolarHBondContact O-N 2.85Å; Y57-V60 HydrophobicContact CD2-CB 3.92Å; Y57-V60 HydrophobicContact CE1-CG2 4.39Å; Y57-V60 HydrophobicContact CE2-CB 3.82Å; Y57-V60 HydrophobicContact CE2-CG2 4.05Å; Y57-V60 HydrophobicContact CG-CB 4.42Å; Y57-V60 WeakPolarHBondContact O-CB 3.38Å; Y57-V60 WeakPolarHBondContact O-CG1 3.02Å; Y57-V60 PolarHBondContact O-N 2.65Å; Y57-Q64 PolarHBondContact OH-OE1 2.85Å | ||
| 58 | P | 77.2 | Confident | 86.2 | Confident | 115 Ų | 115 | 82.7 Ų | 82.7 | 75% | 0.747 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 138 | 172.4 | 20.5 | -32.9 | 0 | 0 | 0 | 110.7 | V60 | P58-V60 VanDerWaalsContact C-N 3.28Å; P58-V60 PolarHBondContact O-N 2.04Å |
| 59 | E | 81.3 | Confident | 86 | Confident | 184 Ų | 184 | 81.3 Ų | 81.3 | 86% | 0.86 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 18.8 | -178.8 | -59 | 176.2 | 89.1 | 0 | 0 | 116.2 | Y57 T61 | Y57-E59 PolarHBondContact O-N 2.85Å; E59-T61 PolarHBondContact O-N 2.89Å |
| 60 | V | 86.3 | Confident | 86.1 | Confident | 7 Ų | 7 | 80.1 Ų | 80.1 | 4% | 0.042 | 42% | 0.417 | C | S | . | . | trans | -58.7 | 136.6 | 171.8 | 65.2 | 0 | 0 | 0 | 0 | 111.5 | Y57 P58 Q64 C65 F72 C82 | Y57-V60 HydrophobicContact CD2-CB 3.92Å; Y57-V60 HydrophobicContact CE1-CG2 4.39Å; Y57-V60 HydrophobicContact CE2-CB 3.82Å; Y57-V60 HydrophobicContact CE2-CG2 4.05Å; Y57-V60 HydrophobicContact CG-CB 4.42Å; Y57-V60 WeakPolarHBondContact O-CB 3.38Å; Y57-V60 WeakPolarHBondContact O-CG1 3.02Å; Y57-V60 PolarHBondContact O-N 2.65Å; P58-V60 VanDerWaalsContact C-N 3.28Å; P58-V60 PolarHBondContact O-N 2.04Å; V60-Q64 HydrophobicContact CG2-CB 3.64Å; V60-C65 HydrophobicContact CG1-CB 4.46Å; V60-C65 HydrophobicContact CG2-CB 4.22Å; V60-F72 VanDerWaalsContact O-CE2 3.26Å; V60-F72 WeakPolarHBondContact O-CE2 3.06Å; V60-C82 HydrophobicContact CG1-CB 3.35Å | ||
| 61 | T | 89.3 | Confident | 86.2 | Confident | 60 Ų | 60 | 71.8 Ų | 71.8 | 37% | 0.368 | 38% | 0.381 | S | S | . | . | trans | -76.1 | 154.3 | 176.9 | 66.2 | 0 | 0 | 0 | 0 | 110.9 | E59 Q63 Q64 C65 | E59-T61 PolarHBondContact O-N 2.89Å; T61-Q63 PolarHBondContact O-N 2.55Å; T61-Q64 PolarHBondContact O-N 3.4Å; T61-Q64 WeakPolarHBondContact OG1-CB 2.97Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.26Å; T61-Q64 PolarHBondContact OG1-N 2.95Å; T61-C65 PolarHBondContact O-N 2.91Å | ||
| 62 | P | 87.1 | Confident | 86.4 | Confident | 64 Ų | 64 | 69.9 Ų | 69.9 | 42% | 0.416 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -54.3 | -41 | 177.3 | 18.3 | -31.8 | 0 | 0 | 0 | 112.4 | C65 N66 F72 | P62-C65 PolarHBondContact O-N 3.18Å; P62-N66 WeakPolarHBondContact O-CB 3.16Å; P62-N66 PolarHBondContact O-N 3.44Å; P62-N66 PolarHBondContact O-ND2 3.45Å; P62-N66 VanDerWaalsContact O-ND2 3.09Å; P62-F72 HydrophobicContact CB-CB 4.27Å; P62-F72 HydrophobicContact CB-CD1 3.68Å; P62-F72 HydrophobicContact CB-CD2 4.36Å; P62-F72 HydrophobicContact CB-CE1 4.05Å; P62-F72 HydrophobicContact CB-CG 3.84Å; P62-F72 HydrophobicContact CG-CE1 4.44Å |
| 63 | Q | 87.1 | Confident | 86.4 | Confident | 149 Ų | 149 | 70.5 Ų | 70.5 | 70% | 0.696 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.8 | -42.3 | 177.4 | -68.6 | -178.9 | -90.1 | 0 | 0 | 112.5 | T61 C65 N66 N67 | T61-Q63 PolarHBondContact O-N 2.55Å; Q63-C65 VanDerWaalsContact C-N 3.35Å; Q63-N66 PolarHBondContact O-N 2.92Å; Q63-N67 VanDerWaalsContact O-CB 3.26Å; Q63-N67 WeakPolarHBondContact O-CB 3.09Å; Q63-N67 PolarHBondContact O-N 3.5Å; Q63-N67 PolarHBondContact O-ND2 3.28Å |
| 64 | Q | 87.1 | Confident | 86.4 | Confident | 83 Ų | 83 | 69.1 Ų | 69.1 | 39% | 0.388 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.4 | -36.7 | 178.3 | -74.3 | 171.6 | 8.1 | 0 | 0 | 112 | Y57 V60 T61 R68 | Y57-Q64 PolarHBondContact OH-OE1 2.85Å; V60-Q64 HydrophobicContact CG2-CB 3.64Å; T61-Q64 PolarHBondContact O-N 3.4Å; T61-Q64 WeakPolarHBondContact OG1-CB 2.97Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.26Å; T61-Q64 PolarHBondContact OG1-N 2.95Å; Q64-R68 WeakPolarHBondContact O-CG 3.03Å; Q64-R68 PolarHBondContact O-N 3.24Å |
| 65 | C | 88.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.7 | -48 | 174.9 | -174.6 | 0 | 0 | 0 | 0 | 111.9 | V60 T61 P62 Q63 N67 R68 C70 C71 F72 C82 | V60-C65 HydrophobicContact CG1-CB 4.46Å; V60-C65 HydrophobicContact CG2-CB 4.22Å; T61-C65 PolarHBondContact O-N 2.91Å; P62-C65 PolarHBondContact O-N 3.18Å; Q63-C65 VanDerWaalsContact C-N 3.35Å; C65-N67 PolarHBondContact O-N 3.08Å; C65-R68 WeakPolarHBondContact O-CB 3.4Å; C65-R68 PolarHBondContact O-N 2.93Å; C65-R68 VanDerWaalsContact O-N 3.08Å; C65-C70 PolarHBondContact O-N 2.82Å; C65-C71 VanDerWaalsContact SG-C 3.59Å; C65-C71 PolarHBondContact SG-O 3.06Å; C65-F72 HydrophobicContact CB-CB 4.09Å; C65-F72 HydrophobicContact CB-CD2 3.99Å; C65-C82 VanDerWaalsContact CA-SG 3.57Å; C65-C82 HydrophobicContact CB-CB 3.76Å; C65-C82 WeakPolarHBondContact CB-SG 3.24Å; C65-C82 WeakPolarHBondContact SG-CA 3.37Å; C65-C82 WeakPolarHBondContact SG-CB 3.4Å; C65-C82 CovalentContact SG-SG 2.03Å; C65-C82 PolarHBondContact SG-SG 2.82Å |
| 66 | N | 84.6 | Confident | 86.2 | Confident | 86 Ų | 86 | 72.2 Ų | 72.2 | 46% | 0.46 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65 | -37.7 | 179.5 | -67.1 | -27.1 | 0 | 0 | 0 | 112.1 | P62 Q63 R68 G69 C70 | P62-N66 WeakPolarHBondContact O-CB 3.16Å; P62-N66 PolarHBondContact O-N 3.44Å; P62-N66 PolarHBondContact O-ND2 3.45Å; P62-N66 VanDerWaalsContact O-ND2 3.09Å; Q63-N66 PolarHBondContact O-N 2.92Å; N66-R68 PolarHBondContact O-N 3.28Å; N66-G69 PolarHBondContact O-N 3.09Å; N66-C70 WeakPolarHBondContact CA-O 3.42Å; N66-C70 PolarHBondContact OD1-O 3.12Å; N66-C70 VanDerWaalsContact OD1-O 3.13Å |
| 67 | N | 85.8 | Confident | 86.2 | Confident | 142 Ų | 142 | 77.2 Ų | 77.2 | 76% | 0.759 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.2 | -20 | 174.9 | -80.1 | -20.8 | 0 | 0 | 0 | 113.3 | Q63 C65 G69 | Q63-N67 VanDerWaalsContact O-CB 3.26Å; Q63-N67 WeakPolarHBondContact O-CB 3.09Å; Q63-N67 PolarHBondContact O-N 3.5Å; Q63-N67 PolarHBondContact O-ND2 3.28Å; C65-N67 PolarHBondContact O-N 3.08Å; N67-G69 VanDerWaalsContact C-N 3.27Å |
| 68 | R | 83.1 | Confident | 86.3 | Confident | 142 Ų | 142 | 76.8 Ų | 76.8 | 54% | 0.536 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 1.4 | 173.3 | -68.8 | 169.6 | 171.8 | -115 | -8 | 112.9 | Q64 C65 N66 C70 | Q64-R68 WeakPolarHBondContact O-CG 3.03Å; Q64-R68 PolarHBondContact O-N 3.24Å; C65-R68 WeakPolarHBondContact O-CB 3.4Å; C65-R68 PolarHBondContact O-N 2.93Å; C65-R68 VanDerWaalsContact O-N 3.08Å; N66-R68 PolarHBondContact O-N 3.28Å; R68-C70 VanDerWaalsContact C-N 3.34Å |
| 69 | G | 82.4 | Confident | 86.9 | Confident | 34 Ų | 34 | 73.1 Ų | 73.1 | 35% | 0.351 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 27.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N66 N67 | N66-G69 PolarHBondContact O-N 3.09Å; N67-G69 VanDerWaalsContact C-N 3.27Å |
| 70 | C | 89.1 | Confident | 87.3 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.007 | 39% | 0.388 | C | S | . | . | trans | -118.8 | 162.6 | -178.7 | -77.8 | 0 | 0 | 0 | 0 | 112.3 | C55 C65 N66 R68 F83 | C55-C70 HydrophobicContact CB-CB 3.64Å; C55-C70 WeakPolarHBondContact CB-SG 3.36Å; C55-C70 WeakPolarHBondContact SG-CB 3.35Å; C55-C70 CovalentContact SG-SG 2Å; C55-C70 PolarHBondContact SG-SG 3.04Å; C65-C70 PolarHBondContact O-N 2.82Å; N66-C70 WeakPolarHBondContact CA-O 3.42Å; N66-C70 PolarHBondContact OD1-O 3.12Å; N66-C70 VanDerWaalsContact OD1-O 3.13Å; R68-C70 VanDerWaalsContact C-N 3.34Å; C70-F83 WeakPolarHBondContact CB-O 3.34Å | ||
| 71 | C | 89 | Confident | 87.5 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.007 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 138 | -175.4 | -62.6 | 0 | 0 | 0 | 0 | 110.5 | C45 C65 C82 F83 | C45-C71 WeakPolarHBondContact CA-SG 3.49Å; C45-C71 HydrophobicContact CB-CB 3.58Å; C45-C71 WeakPolarHBondContact CB-SG 3.35Å; C45-C71 WeakPolarHBondContact SG-CB 3.37Å; C45-C71 CovalentContact SG-SG 2.04Å; C45-C71 PolarHBondContact SG-SG 2.73Å; C65-C71 VanDerWaalsContact SG-C 3.59Å; C65-C71 PolarHBondContact SG-O 3.06Å; C71-C82 WeakPolarHBondContact O-CA 3.26Å; C71-F83 HydrophobicContact CB-CD1 4.45Å; C71-F83 HydrophobicContact CB-CD2 3.97Å; C71-F83 HydrophobicContact CB-CE1 3.98Å; C71-F83 HydrophobicContact CB-CE2 3.46Å; C71-F83 VanDerWaalsContact CB-CE2 3.46Å; C71-F83 HydrophobicContact CB-CG 4.44Å; C71-F83 HydrophobicContact CB-CZ 3.47Å; C71-F83 VanDerWaalsContact CB-CZ 3.47Å; C71-F83 PolarHBondContact N-O 3.15Å; C71-F83 WeakPolarHBondContact O-CD1 3.13Å; C71-F83 WeakPolarHBondContact O-CE1 3.34Å; C71-F83 PolarHBondContact O-N 3.18Å |
| 72 | F | 90.5 | Very high | 87.6 | Confident | 53 Ų | 53 | 67.8 Ų | 67.8 | 23% | 0.232 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 126 | 176 | -172.3 | -89.9 | 0 | 0 | 0 | 111.6 | V60 P62 C65 W81 | V60-F72 VanDerWaalsContact O-CE2 3.26Å; V60-F72 WeakPolarHBondContact O-CE2 3.06Å; P62-F72 HydrophobicContact CB-CB 4.27Å; P62-F72 HydrophobicContact CB-CD1 3.68Å; P62-F72 HydrophobicContact CB-CD2 4.36Å; P62-F72 HydrophobicContact CB-CE1 4.05Å; P62-F72 HydrophobicContact CB-CG 3.84Å; P62-F72 HydrophobicContact CG-CE1 4.44Å; C65-F72 HydrophobicContact CB-CB 4.09Å; C65-F72 HydrophobicContact CB-CD2 3.99Å; F72-W81 CarbonylContact C-O 3.45Å; F72-W81 VanDerWaalsContact CA-O 3.24Å; F72-W81 WeakPolarHBondContact CA-O 3.21Å; F72-W81 HydrophobicContact CD2-CB 4.37Å; F72-W81 HydrophobicContact CE2-CB 3.87Å; F72-W81 HydrophobicContact CZ-CB 4.22Å; F72-W81 HydrophobicContact CZ-CE3 4.22Å |
| 73 | D | 88.9 | Confident | 87.8 | Confident | 42 Ų | 42 | 64.8 Ų | 64.8 | 23% | 0.225 | 37% | 0.367 | C | S | . | . | trans | -144.4 | 110.7 | 173.2 | -178.5 | -100.7 | 0 | 0 | 0 | 110.8 | R52 S75 W81 F83 | R52-D73 IonicContact CZ-OD1 3.2Å; R52-D73 PolarHBondContact NH1-O 2Å; R52-D73 IonicContact NH1-OD1 2.84Å; R52-D73 PolarHBondContact NH1-OD1 3.44Å; R52-D73 IonicContact NH2-OD1 2.7Å; R52-D73 PolarHBondContact NH2-OD1 2.88Å; D73-S75 PolarHBondContact OD1-N 2.9Å; D73-S75 PolarHBondContact OD2-OG 2.84Å; D73-W81 PolarHBondContact N-O 3.23Å; D73-W81 WeakPolarHBondContact O-CA 3.4Å; D73-F83 HydrophobicContact CB-CE1 3.57Å; D73-F83 HydrophobicContact CB-CZ 4.13Å | ||
| 74 | S | 89.1 | Confident | 87.9 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | trans | -97.8 | 11.1 | 177.3 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | I76 | S74-I76 PolarHBondContact O-N 3.14Š| ||
| 75 | S | 88.1 | Confident | 87.8 | Confident | 102 Ų | 102 | 59.8 Ų | 59.8 | 71% | 0.713 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -71.1 | -18.6 | -177.7 | -64.5 | 0 | 0 | 0 | 0 | 113.6 | D73 | D73-S75 PolarHBondContact OD1-N 2.9Å; D73-S75 PolarHBondContact OD2-OG 2.84Å |
| 76 | I | 86.6 | Confident | 87.3 | Confident | 71 Ų | 71 | 63.6 Ų | 63.6 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -124.9 | 126.8 | -175.8 | -54.4 | 173.5 | 0 | 0 | 0 | 109.2 | A49 S74 V79 W81 | A49-I76 HydrophobicContact CB-CD1 3.56Å; A49-I76 HydrophobicContact CB-CG2 4.27Å; S74-I76 PolarHBondContact O-N 3.14Å; I76-V79 HydrophobicContact CB-CG2 3.76Å; I76-V79 HydrophobicContact CG2-CG1 4.4Å; I76-V79 HydrophobicContact CG2-CG2 3.7Å; I76-V79 WeakPolarHBondContact O-CG2 3.4Å; I76-W81 PolarHBondContact O-NE1 2.99Å |
| 77 | V | 85.9 | Confident | 86.3 | Confident | 124 Ų | 124 | 67.1 Ų | 67.1 | 75% | 0.752 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 149.4 | 176.5 | -66.9 | 0 | 0 | 0 | 0 | 111.1 | V79 | V77-V79 VanDerWaalsContact C-N 3.34Š|
| 78 | G | 85.9 | Confident | 84.7 | Confident | 87 Ų | 87 | 67 Ų | 67 | 90% | 0.897 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 9.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 79 | V | 88.8 | Confident | 82.9 | Confident | 38 Ų | 38 | 69 Ų | 69 | 23% | 0.23 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -128.2 | 156.9 | 173.9 | -63.6 | 0 | 0 | 0 | 0 | 109.8 | A49 I76 V77 W81 | A49-V79 HydrophobicContact CB-CG1 4.08Å; A49-V79 HydrophobicContact CB-CG2 4.3Å; I76-V79 HydrophobicContact CB-CG2 3.76Å; I76-V79 HydrophobicContact CG2-CG1 4.4Å; I76-V79 HydrophobicContact CG2-CG2 3.7Å; I76-V79 WeakPolarHBondContact O-CG2 3.4Å; V77-V79 VanDerWaalsContact C-N 3.34Å; V79-W81 PolarHBondContact O-N 3.26Å |
| 80 | P | 89.2 | Confident | 81 | Confident | 38 Ų | 38 | 70 Ų | 70 | 25% | 0.247 | 40% | 0.399 | C | S | . | . | trans | -61.4 | 123.5 | 176 | 23.7 | -32.9 | 0 | 0 | 0 | 110.4 | R52 D54 C82 | R52-P80 HydrophobicContact CB-CG 3.9Å; D54-P80 HydrophobicContact CB-CB 4.04Å; D54-P80 HydrophobicContact CB-CG 4.44Å; D54-P80 WeakPolarHBondContact OD2-CB 3.26Å; P80-C82 VanDerWaalsContact C-N 3.34Å | ||
| 81 | W | 91 | Very high | 78.6 | Confident | 101 Ų | 101 | 77.3 Ų | 77.3 | 38% | 0.383 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -75 | -27.8 | 176.5 | -66.9 | -12.3 | 0 | 0 | 0 | 112.2 | F72 D73 I76 V79 | F72-W81 CarbonylContact C-O 3.45Å; F72-W81 VanDerWaalsContact CA-O 3.24Å; F72-W81 WeakPolarHBondContact CA-O 3.21Å; F72-W81 HydrophobicContact CD2-CB 4.37Å; F72-W81 HydrophobicContact CE2-CB 3.87Å; F72-W81 HydrophobicContact CZ-CB 4.22Å; F72-W81 HydrophobicContact CZ-CE3 4.22Å; D73-W81 PolarHBondContact N-O 3.23Å; D73-W81 WeakPolarHBondContact O-CA 3.4Å; I76-W81 PolarHBondContact O-NE1 2.99Å; V79-W81 PolarHBondContact O-N 3.26Å |
| 82 | C | 92 | Very high | 76.3 | Confident | 1 Ų | 1 | 81.6 Ų | 81.6 | 1% | 0.007 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 113.3 | 172.2 | -174.6 | 0 | 0 | 0 | 0 | 110.2 | C55 V60 C65 C71 P80 | C55-C82 PolarHBondContact N-O 3.17Å; V60-C82 HydrophobicContact CG1-CB 3.35Å; C65-C82 VanDerWaalsContact CA-SG 3.57Å; C65-C82 HydrophobicContact CB-CB 3.76Å; C65-C82 WeakPolarHBondContact CB-SG 3.24Å; C65-C82 WeakPolarHBondContact SG-CA 3.37Å; C65-C82 WeakPolarHBondContact SG-CB 3.4Å; C65-C82 CovalentContact SG-SG 2.03Å; C65-C82 PolarHBondContact SG-SG 2.82Å; C71-C82 WeakPolarHBondContact O-CA 3.26Å; P80-C82 VanDerWaalsContact C-N 3.34Å |
| 83 | F | 90.9 | Very high | 74.1 | Confident | 1 Ų | 1 | 82.7 Ų | 82.7 | 0% | 0.004 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 157.6 | -172.5 | 59.5 | -83.3 | 0 | 0 | 0 | 112.4 | V47 R52 V53 C70 C71 D73 | V47-F83 HydrophobicContact CB-CD2 3.75Å; V47-F83 HydrophobicContact CB-CE2 3.54Å; V47-F83 HydrophobicContact CG1-CD2 4.36Å; V47-F83 HydrophobicContact CG2-CD2 3.77Å; V47-F83 HydrophobicContact CG2-CE2 3.6Å; R52-F83 HydrophobicContact CB-CB 3.78Å; R52-F83 HydrophobicContact CB-CG 4.09Å; R52-F83 HydrophobicContact CG-CB 4.01Å; R52-F83 HydrophobicContact CG-CD1 4.1Å; R52-F83 HydrophobicContact CG-CD2 3.95Å; R52-F83 HydrophobicContact CG-CE2 4.5Å; R52-F83 HydrophobicContact CG-CG 3.73Å; V53-F83 CarbonylContact O-C 3.53Å; V53-F83 WeakPolarHBondContact O-CA 3.34Å; V53-F83 WeakPolarHBondContact O-CB 3.01Å; C70-F83 WeakPolarHBondContact CB-O 3.34Å; C71-F83 HydrophobicContact CB-CD1 4.45Å; C71-F83 HydrophobicContact CB-CD2 3.97Å; C71-F83 HydrophobicContact CB-CE1 3.98Å; C71-F83 HydrophobicContact CB-CE2 3.46Å; C71-F83 VanDerWaalsContact CB-CE2 3.46Å; C71-F83 HydrophobicContact CB-CG 4.44Å; C71-F83 HydrophobicContact CB-CZ 3.47Å; C71-F83 VanDerWaalsContact CB-CZ 3.47Å; C71-F83 PolarHBondContact N-O 3.15Å; C71-F83 WeakPolarHBondContact O-CD1 3.13Å; C71-F83 WeakPolarHBondContact O-CE1 3.34Å; C71-F83 PolarHBondContact O-N 3.18Å; D73-F83 HydrophobicContact CB-CE1 3.57Å; D73-F83 HydrophobicContact CB-CZ 4.13Å |
| 84 | K | 88.7 | Confident | 71.5 | Confident | 105 Ų | 105 | 91.5 Ų | 91.5 | 46% | 0.457 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 139.2 | 175.9 | -70.5 | -69.1 | -172 | -176.4 | 0 | 110.8 | V53 C55 | V53-K84 HydrophobicContact CB-CB 4.42Å; V53-K84 HydrophobicContact CB-CG 4.34Å; V53-K84 HydrophobicContact CG1-CG 4.37Å; V53-K84 PolarHBondContact O-N 3.06Å; C55-K84 HydrophobicContact CB-CD 4.03Å; C55-K84 HydrophobicContact CB-CG 4.1Å |
| 85 | P | 85.6 | Confident | 70.7 | Confident | 22 Ų | 22 | 92.9 Ų | 92.9 | 14% | 0.143 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 159.1 | 170.7 | 24.4 | -30.6 | 0 | 0 | 0 | 111.6 | Q44 Q87 | Q44-P85 HydrophobicContact CB-CB 3.85Å; Q44-P85 CarbonylContact O-C 3.5Å; Q44-P85 WeakPolarHBondContact O-CA 3.5Å; Q44-P85 WeakPolarHBondContact O-CB 3.37Å; P85-Q87 PolarHBondContact O-N 3.28Å; P85-Q87 VanDerWaalsContact O-N 3.12Å |
| 86 | L | 78.7 | Confident | 69.7 | Low | 80 Ų | 80 | 92.4 Ų | 92.4 | 42% | 0.419 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 117.4 | 163.6 | -65.7 | 176.4 | 0 | 0 | 0 | 108 | Q44 V47 E88 | Q44-L86 PolarHBondContact O-N 3.37Å; V47-L86 HydrophobicContact CB-CD2 4.49Å; V47-L86 HydrophobicContact CG2-CD2 3.76Å; V47-L86 HydrophobicContact CG2-CG 3.67Å; L86-E88 PolarHBondContact O-N 3.37Å |
| 87 | Q | 62.7 | Low | 68.8 | Low | 159 Ų | 159 | 93.6 Ų | 93.6 | 74% | 0.743 | 51% | 0.513 | S | S | * | . | trans | -71.4 | 76.6 | 171.7 | -60.1 | -92.3 | -92.5 | 0 | 0 | 107.9 | P85 Q89 | P85-Q87 PolarHBondContact O-N 3.28Å; P85-Q87 VanDerWaalsContact O-N 3.12Å; Q87-Q89 PolarHBondContact O-N 2.9Å | ||
| 88 | E | 52.8 | Low | 67.8 | Low | 141 Ų | 141 | 91.8 Ų | 91.8 | 66% | 0.659 | 50% | 0.498 | S | S | * | . | trans | -65.7 | 130.8 | 154 | -84.6 | -155.6 | 97.9 | 0 | 0 | 106.4 | L86 G90 | L86-E88 PolarHBondContact O-N 3.37Å; E88-G90 PolarHBondContact O-N 3.27Å | ||
| 89 | Q | 44.2 | Very low | 66.7 | Low | 184 Ų | 184 | 92.1 Ų | 92.1 | 86% | 0.86 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -58.2 | 77 | -178 | -64.6 | 173.5 | -36.9 | 0 | 0 | 112.1 | Q87 | Q87-Q89 PolarHBondContact O-N 2.9Š|
| 90 | G | 44.1 | Very low | 65.2 | Low | 55 Ų | 55 | 95.7 Ų | 95.7 | 57% | 0.567 | 49% | 0.49 | S | S | * | . | trans | -155.9 | 36.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | E88 C92 | E88-G90 PolarHBondContact O-N 3.27Å; G90-C92 PolarHBondContact O-N 3.13Å; G90-C92 VanDerWaalsContact O-N 3.12Å | ||
| 91 | E | 37.9 | Very low | 63.5 | Low | 154 Ų | 154 | 99.8 Ų | 99.8 | 72% | 0.72 | 51% | 0.507 | S | S | * | . | trans | -60 | 102.9 | 137.7 | -160.9 | 85.4 | 66.3 | 0 | 0 | 103.9 | S93 | E91-S93 PolarHBondContact O-N 3.33Š| ||
| 92 | C | 40.9 | Very low | 61.4 | Low | 91 Ų | 91 | 99.7 Ų | 99.7 | 62% | 0.615 | 52% | 0.517 | S | S | * | . | trans | -66.8 | 78.2 | 150.1 | -79.6 | 0 | 0 | 0 | 0 | 105.3 | G90 | G90-C92 PolarHBondContact O-N 3.13Å; G90-C92 VanDerWaalsContact O-N 3.12Å | ||
| 93 | S | 43.5 | Very low | 58.8 | Low | 75 Ų | 75 | 107.9 Ų | 107.9 | 52% | 0.524 | 56% | 0.559 | S | S | . | * | trans | -84.6 | 115.1 | 163.2 | -140.9 | 0 | 0 | 0 | 0 | 106 | E91 | E91-S93 PolarHBondContact O-N 3.33Š| ||
| 94 | F | 35.9 | Very low | 55.9 | Low | 228 Ų | 228 | 117.6 Ų | 117.6 | 100% | 1 | 61% | 0.61 | S | S | * | * | trans | 81.5 | 0 | 176.1 | -56.4 | -81.1 | 0 | 0 | 0 | 116.7 |
Retrieved 94 of 94 residues in 96.9 ms
(Link to these results)