| 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 | 48.8 | Very low | 49.2 | Very low | 246 Ų | 246 | 159.9 Ų | 159.9 | 100% | 1.212 | 87% | 0.866 | S | S | * | * | 0 | 125.7 | 0 | -71.2 | -124.1 | -117.2 | 0 | 0 | 107.8 | |||||
| 2 | A | 44.2 | Very low | 48.6 | Very low | 90 Ų | 90 | 152.8 Ų | 152.8 | 74% | 0.744 | 86% | 0.858 | S | S | * | * | trans | 1.4 | 108.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | S4 | A2-S4 PolarHBondContact O-N 3.48Š| ||
| 3 | L | 46.3 | Very low | 48.3 | Very low | 180 Ų | 180 | 146.2 Ų | 146.2 | 94% | 0.942 | 85% | 0.846 | S | S | * | * | trans | -84.6 | 98.3 | 158.7 | -76.3 | 166.2 | 0 | 0 | 0 | 108.6 | ||||
| 4 | S | 49.2 | Very low | 48.3 | Very low | 108 Ų | 108 | 153.5 Ų | 153.5 | 76% | 0.755 | 85% | 0.852 | S | S | * | * | trans | -91.2 | 101.6 | 177.4 | -53.6 | 0 | 0 | 0 | 0 | 109.6 | A2 L6 | A2-S4 PolarHBondContact O-N 3.48Å; S4-L6 PolarHBondContact O-N 3.35Å | ||
| 5 | R | 48.1 | Very low | 48.4 | Very low | 242 Ų | 242 | 151.5 Ų | 151.5 | 91% | 0.913 | 85% | 0.851 | S | S | * | * | trans | -69.5 | 112.6 | 168.8 | -80.9 | 178.8 | 157.5 | -178.1 | -6.8 | 109.2 | ||||
| 6 | L | 53.2 | Low | 48.7 | Very low | 160 Ų | 160 | 147.9 Ų | 147.9 | 84% | 0.838 | 85% | 0.846 | S | S | * | * | trans | -83.2 | 113.3 | 170.4 | -146.8 | 80.3 | 0 | 0 | 0 | 108.7 | S4 | S4-L6 PolarHBondContact O-N 3.35Š| ||
| 7 | L | 43.6 | Very low | 48.3 | Very low | 168 Ų | 168 | 143.4 Ų | 143.4 | 88% | 0.88 | 84% | 0.839 | S | S | * | * | trans | -83 | 115.4 | 170.4 | -75.7 | 164.2 | 0 | 0 | 0 | 108.4 | A9 | L7-A9 PolarHBondContact O-N 2.75Š| ||
| 8 | I | 51.6 | Low | 48.4 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 82% | 0.815 | 84% | 0.841 | S | S | * | * | trans | -85.7 | 107.3 | 169.6 | -60.8 | 174.4 | 0 | 0 | 0 | 107.3 | S10 | I8-S10 PolarHBondContact O-N 3.26Š| ||
| 9 | A | 47.1 | Very low | 48.4 | Very low | 89 Ų | 89 | 141.6 Ų | 141.6 | 74% | 0.736 | 84% | 0.835 | S | S | * | * | trans | -75.7 | 110.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | L7 K11 | L7-A9 PolarHBondContact O-N 2.75Å; A9-K11 PolarHBondContact O-N 3.41Å | ||
| 10 | S | 50.5 | Low | 48.6 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | trans | -67.2 | 108.8 | 168 | 179.2 | 0 | 0 | 0 | 0 | 109.3 | I8 G12 | I8-S10 PolarHBondContact O-N 3.26Å; S10-G12 PolarHBondContact O-N 2.92Å | ||
| 11 | K | 58.4 | Low | 48.8 | Very low | 198 Ų | 198 | 146.3 Ų | 146.3 | 86% | 0.861 | 83% | 0.831 | S | S | * | * | trans | -77.2 | 106.4 | 168.8 | -80.7 | -178 | 175 | 175.9 | 0 | 107.9 | A9 G13 | A9-K11 PolarHBondContact O-N 3.41Å; K11-G13 PolarHBondContact O-N 3.4Å | ||
| 12 | G | 42.1 | Very low | 49 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | trans | -56.4 | 100.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S10 R14 | S10-G12 PolarHBondContact O-N 2.92Å; G12-R14 PolarHBondContact O-N 3.11Å | ||
| 13 | G | 44.8 | Very low | 49.5 | Very low | 68 Ų | 68 | 143.4 Ų | 143.4 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -66.8 | 118 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109 | K11 C15 | K11-G13 PolarHBondContact O-N 3.4Å; G13-C15 VanDerWaalsContact C-N 3.34Å; G13-C15 PolarHBondContact O-N 3.35Å | ||
| 14 | R | 48.2 | Very low | 49.9 | Very low | 248 Ų | 248 | 144.7 Ų | 144.7 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | trans | -67.7 | 93 | 169.6 | -77.5 | 178.8 | -79.1 | -174.2 | -4.5 | 108.3 | G12 A16 | G12-R14 PolarHBondContact O-N 3.11Å; R14-A16 PolarHBondContact O-N 2.63Å; R14-A16 VanDerWaalsContact O-N 3.13Å | ||
| 15 | C | 50.6 | Low | 50.5 | Low | 123 Ų | 123 | 143.8 Ų | 143.8 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | -69 | 105.1 | 157.5 | -66.8 | 0 | 0 | 0 | 0 | 106.3 | G13 G17 | G13-C15 VanDerWaalsContact C-N 3.34Å; G13-C15 PolarHBondContact O-N 3.35Å; C15-G17 PolarHBondContact O-N 3.32Å | ||
| 16 | A | 52.4 | Low | 51.2 | Low | 94 Ų | 94 | 135.6 Ų | 135.6 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | -59.1 | 105.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | R14 L18 | R14-A16 PolarHBondContact O-N 2.63Å; R14-A16 VanDerWaalsContact O-N 3.13Å; A16-L18 PolarHBondContact O-N 2.89Å | ||
| 17 | G | 42.1 | Very low | 51.8 | Low | 71 Ų | 71 | 132 Ų | 132 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | trans | -59.1 | 103.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | C15 A19 | C15-G17 PolarHBondContact O-N 3.32Å; G17-A19 PolarHBondContact O-N 3.39Å | ||
| 18 | L | 49.9 | Very low | 53 | Low | 168 Ų | 168 | 129 Ų | 129 | 88% | 0.88 | 75% | 0.747 | S | S | * | * | trans | -61.7 | 91.9 | 151.6 | -85.1 | 154.1 | 0 | 0 | 0 | 105 | A16 R20 | A16-L18 PolarHBondContact O-N 2.89Å; L18-R20 PolarHBondContact O-N 3.21Å | ||
| 19 | A | 48.2 | Very low | 54.3 | Low | 86 Ų | 86 | 126.5 Ų | 126.5 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | trans | -52.4 | 109.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 105.5 | G17 Q21 | G17-A19 PolarHBondContact O-N 3.39Å; A19-Q21 VanDerWaalsContact C-N 3.3Å; A19-Q21 PolarHBondContact O-N 2.74Å | ||
| 20 | R | 51.8 | Low | 55.9 | Low | 206 Ų | 206 | 128 Ų | 128 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | trans | -55.3 | 105 | 169 | -78.2 | -175.5 | 174.7 | -156.8 | -2.9 | 105.1 | L18 F22 | L18-R20 PolarHBondContact O-N 3.21Å; R20-F22 PolarHBondContact O-N 3.39Å | ||
| 21 | Q | 54.2 | Low | 57.2 | Low | 176 Ų | 176 | 128.9 Ų | 128.9 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | trans | -64.9 | 86.3 | 170.6 | -171.8 | 104.9 | 2.8 | 0 | 0 | 105.2 | A19 C23 | A19-Q21 VanDerWaalsContact C-N 3.3Å; A19-Q21 PolarHBondContact O-N 2.74Å; Q21-C23 PolarHBondContact O-N 3.03Å | ||
| 22 | F | 51.9 | Low | 58.4 | Low | 174 Ų | 174 | 123.7 Ų | 123.7 | 76% | 0.763 | 72% | 0.72 | S | S | * | * | trans | -55.9 | 116.1 | 166.4 | -98.4 | -88.2 | 0 | 0 | 0 | 105.8 | R20 K24 | R20-F22 PolarHBondContact O-N 3.39Å; F22-K24 PolarHBondContact O-N 3.47Å | ||
| 23 | C | 55.1 | Low | 60.5 | Low | 101 Ų | 101 | 129.9 Ų | 129.9 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | trans | -51.3 | 119.1 | 171.9 | -68.1 | 0 | 0 | 0 | 0 | 107.4 | Q21 S25 | Q21-C23 PolarHBondContact O-N 3.03Å; C23-S25 PolarHBondContact O-N 3.27Å; C23-S25 PolarHBondContact O-OG 3Å | ||
| 24 | K | 54.2 | Low | 62.4 | Low | 207 Ų | 207 | 128.9 Ų | 128.9 | 90% | 0.9 | 72% | 0.716 | S | S | * | * | trans | -68.8 | 24 | 176.3 | -68.9 | -178.7 | 175.1 | 179.1 | 0 | 112.8 | F22 S26 | F22-K24 PolarHBondContact O-N 3.47Å; K24-S26 PolarHBondContact O-N 3.09Å | ||
| 25 | S | 61.8 | Low | 64.1 | Low | 89 Ų | 89 | 122 Ų | 122 | 62% | 0.622 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -62.1 | 125.9 | 162.7 | 47.6 | 0 | 0 | 0 | 0 | 106.9 | C23 V27 | C23-S25 PolarHBondContact O-N 3.27Å; C23-S25 PolarHBondContact O-OG 3Å; S25-V27 PolarHBondContact O-N 3.13Å |
| 26 | S | 62.8 | Low | 65.7 | Low | 69 Ų | 69 | 120.9 Ų | 120.9 | 48% | 0.483 | 70% | 0.695 | S | S | . | * | trans | -49.6 | 109.9 | -175.2 | 166.2 | 0 | 0 | 0 | 0 | 110.4 | K24 D28 S29 | K24-S26 PolarHBondContact O-N 3.09Å; S26-D28 PolarHBondContact O-N 3.06Å; S26-D28 VanDerWaalsContact O-N 3.14Å; S26-D28 VanDerWaalsContact OG-CB 3.3Å; S26-D28 WeakPolarHBondContact OG-CB 3.34Å; S26-D28 PolarHBondContact OG-N 2.98Å; S26-D28 PolarHBondContact OG-OD2 2.93Å; S26-S29 PolarHBondContact O-N 2.94Å | ||
| 27 | V | 66.7 | Low | 67.2 | Low | 84 Ų | 84 | 127.3 Ų | 127.3 | 51% | 0.509 | 70% | 0.699 | S | S | . | * | G | 310 helix | trans | -59.4 | -20.6 | 174.7 | -67.9 | 0 | 0 | 0 | 0 | 111.3 | S25 S29 V30 F31 | S25-V27 PolarHBondContact O-N 3.13Å; V27-S29 PolarHBondContact O-N 3.37Å; V27-V30 PolarHBondContact O-N 3.07Å; V27-V30 VanDerWaalsContact O-N 3.07Å; V27-F31 HydrophobicContact CB-CD2 4.43Å; V27-F31 HydrophobicContact CB-CE2 4.17Å; V27-F31 WeakPolarHBondContact O-CD2 3.36Å |
| 28 | D | 68.7 | Low | 69.3 | Low | 105 Ų | 105 | 134.3 Ų | 134.3 | 56% | 0.561 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -62 | -15.8 | 178.1 | -42.7 | -55.2 | 0 | 0 | 0 | 113.3 | S26 | S26-D28 PolarHBondContact O-N 3.06Å; S26-D28 VanDerWaalsContact O-N 3.14Å; S26-D28 VanDerWaalsContact OG-CB 3.3Å; S26-D28 WeakPolarHBondContact OG-CB 3.34Å; S26-D28 PolarHBondContact OG-N 2.98Å; S26-D28 PolarHBondContact OG-OD2 2.93Å |
| 29 | S | 78.7 | Confident | 71.1 | Confident | 107 Ų | 107 | 135.7 Ų | 135.7 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -80.5 | -27 | 175.9 | -175.2 | 0 | 0 | 0 | 0 | 113.6 | S26 V27 | S26-S29 PolarHBondContact O-N 2.94Å; V27-S29 PolarHBondContact O-N 3.37Å |
| 30 | V | 80.1 | Confident | 73.2 | Confident | 120 Ų | 120 | 134.5 Ų | 134.5 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -33.1 | -174.4 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | V27 | V27-V30 PolarHBondContact O-N 3.07Å; V27-V30 VanDerWaalsContact O-N 3.07Å |
| 31 | F | 79.1 | Confident | 75 | Confident | 139 Ų | 139 | 129.3 Ų | 129.3 | 61% | 0.61 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -90 | 138.6 | -178.5 | -60.4 | -73.2 | 0 | 0 | 0 | 111.3 | V27 K33 | V27-F31 HydrophobicContact CB-CD2 4.43Å; V27-F31 HydrophobicContact CB-CE2 4.17Å; V27-F31 WeakPolarHBondContact O-CD2 3.36Å; F31-K33 PolarHBondContact O-N 3.43Å |
| 32 | P | 83.9 | Confident | 76.7 | Confident | 89 Ų | 89 | 127.5 Ų | 127.5 | 58% | 0.578 | 66% | 0.663 | S | S | * | * | trans | -63.2 | 132.2 | 172.8 | 27.8 | -33.6 | 0 | 0 | 0 | 109.5 | G34 V36 | P32-G34 PolarHBondContact O-N 3.04Å; P32-V36 HydrophobicContact CB-CG2 3.75Å | ||
| 33 | K | 85.4 | Confident | 78.6 | Confident | 203 Ų | 203 | 126.6 Ų | 126.6 | 88% | 0.883 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -69.8 | -10.4 | -177.9 | -64.1 | -179.7 | 179.9 | 176.8 | 0 | 113.8 | F31 | F31-K33 PolarHBondContact O-N 3.43Š|
| 34 | G | 84.7 | Confident | 80.3 | Confident | 48 Ų | 48 | 125.5 Ų | 125.5 | 50% | 0.495 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -150.9 | 172.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | P32 V36 | P32-G34 PolarHBondContact O-N 3.04Å; G34-V36 PolarHBondContact O-N 2.98Å |
| 35 | S | 84.3 | Confident | 82.1 | Confident | 102 Ų | 102 | 117 Ų | 117 | 71% | 0.713 | 62% | 0.624 | S | S | * | * | trans | -65.4 | 117.4 | 178.7 | 58.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 36 | V | 83.3 | Confident | 83.7 | Confident | 101 Ų | 101 | 115 Ų | 115 | 61% | 0.612 | 61% | 0.609 | S | S | * | * | trans | -101.2 | 87.4 | 173.1 | -175.8 | 0 | 0 | 0 | 0 | 107.5 | P32 G34 | P32-V36 HydrophobicContact CB-CG2 3.75Å; G34-V36 PolarHBondContact O-N 2.98Å | ||
| 37 | W | 84.8 | Confident | 85.1 | Confident | 229 Ų | 229 | 117.3 Ų | 117.3 | 87% | 0.867 | 62% | 0.622 | S | S | * | * | trans | -106.7 | 135.5 | 168.8 | -56.6 | 102.3 | 0 | 0 | 0 | 108.2 | ||||
| 38 | R | 84.7 | Confident | 86.4 | Confident | 218 Ų | 218 | 117.2 Ų | 117.2 | 82% | 0.823 | 62% | 0.618 | S | S | * | * | trans | -130 | 137 | 172 | -68.5 | -166.1 | -80.9 | -153.6 | -0.2 | 108.2 | ||||
| 39 | E | 89.6 | Confident | 87.5 | Confident | 197 Ų | 197 | 115.2 Ų | 115.2 | 92% | 0.921 | 61% | 0.611 | S | S | * | * | trans | -70.9 | 131.9 | 170.4 | -170.6 | 164.1 | -160.8 | 0 | 0 | 108.3 | ||||
| 40 | I | 90.4 | Very high | 88.2 | Confident | 60 Ų | 60 | 118.2 Ų | 118.2 | 31% | 0.308 | 61% | 0.611 | S | S | . | * | trans | -90.6 | 122.8 | -178.3 | -58.4 | 179.9 | 0 | 0 | 0 | 107.2 | K42 L45 Q85 A88 | I40-K42 PolarHBondContact O-N 3.38Å; I40-L45 HydrophobicContact CG2-CD1 4.27Å; I40-L45 HydrophobicContact CG2-CD2 3.98Å; I40-L45 HydrophobicContact CG2-CG 4.43Å; I40-Q85 HydrophobicContact CD1-CB 3.69Å; I40-Q85 HydrophobicContact CD1-CG 4.03Å; I40-Q85 HydrophobicContact CG2-CG 4.47Å; I40-A88 HydrophobicContact CG2-CB 4.09Å | ||
| 41 | D | 91.4 | Very high | 88.9 | Confident | 97 Ų | 97 | 114 Ų | 114 | 52% | 0.519 | 58% | 0.584 | S | S | . | * | trans | -69 | 104.2 | 174.5 | -179.1 | 8.8 | 0 | 0 | 0 | 109.7 | D43 S44 | D41-D43 PolarHBondContact O-N 3.36Å; D41-D43 PolarHBondContact OD1-N 3.21Å; D41-D43 VanDerWaalsContact OD1-N 3.11Å; D41-S44 PolarHBondContact O-N 2.98Å; D41-S44 PolarHBondContact O-OG 2.91Å | ||
| 42 | K | 89.7 | Confident | 89.5 | Confident | 138 Ų | 138 | 112.2 Ų | 112.2 | 60% | 0.6 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -66.4 | -26.8 | -177.4 | -65 | -173.4 | -179.9 | -172.6 | 0 | 112.7 | I40 S44 L45 | I40-K42 PolarHBondContact O-N 3.38Å; K42-S44 PolarHBondContact O-N 3.48Å; K42-L45 WeakPolarHBondContact O-CB 3.39Å; K42-L45 PolarHBondContact O-N 3.01Å |
| 43 | D | 90.5 | Very high | 89.9 | Confident | 155 Ų | 155 | 114.5 Ų | 114.5 | 83% | 0.829 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -74.4 | -20.9 | -178.3 | -63.5 | -29.3 | 0 | 0 | 0 | 111.5 | D41 | D41-D43 PolarHBondContact O-N 3.36Å; D41-D43 PolarHBondContact OD1-N 3.21Å; D41-D43 VanDerWaalsContact OD1-N 3.11Å |
| 44 | S | 90.9 | Very high | 90.3 | Very high | 78 Ų | 78 | 110.7 Ų | 110.7 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -82.1 | -13 | 174.8 | 76.7 | 0 | 0 | 0 | 0 | 114.1 | D41 K42 | D41-S44 PolarHBondContact O-N 2.98Å; D41-S44 PolarHBondContact O-OG 2.91Å; K42-S44 PolarHBondContact O-N 3.48Å |
| 45 | L | 92.5 | Very high | 90.8 | Very high | 29 Ų | 29 | 111.5 Ų | 111.5 | 15% | 0.152 | 57% | 0.57 | C | S | . | * | S | Bend | trans | -76 | 151.9 | -174.3 | -61.5 | -176.3 | 0 | 0 | 0 | 111.7 | I40 K42 Q85 | I40-L45 HydrophobicContact CG2-CD1 4.27Å; I40-L45 HydrophobicContact CG2-CD2 3.98Å; I40-L45 HydrophobicContact CG2-CG 4.43Å; K42-L45 WeakPolarHBondContact O-CB 3.39Å; K42-L45 PolarHBondContact O-N 3.01Å; L45-Q85 HydrophobicContact CD1-CG 4.06Å |
| 46 | P | 94.7 | Very high | 91.2 | Very high | 48 Ų | 48 | 107.6 Ų | 107.6 | 31% | 0.312 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -60 | 142.3 | 174 | 23.3 | -31.2 | 0 | 0 | 0 | 110.6 | N84 | P46-N84 HydrophobicContact CG-CB 4.05Å; P46-N84 PolarHBondContact O-ND2 3.23Å |
| 47 | P | 93.4 | Very high | 91.6 | Very high | 117 Ų | 117 | 105.6 Ų | 105.6 | 76% | 0.76 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 154 | 179.3 | 28.5 | -35.1 | 0 | 0 | 0 | 110.6 | ||
| 48 | L | 93.8 | Very high | 92.1 | Very high | 81 Ų | 81 | 98.4 Ų | 98.4 | 42% | 0.424 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 135.4 | 174.3 | -67.1 | 176.9 | 0 | 0 | 0 | 110.3 | I80 E81 | L48-I80 HydrophobicContact CD2-CB 4.17Å; L48-I80 HydrophobicContact CD2-CG2 3.83Å; L48-E81 HydrophobicContact CD2-CB 4.02Å |
| 49 | P | 92.2 | Very high | 92.5 | Very high | 63 Ų | 63 | 90.5 Ų | 90.5 | 41% | 0.409 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -66 | 149.5 | 175.4 | 29 | -34.1 | 0 | 0 | 0 | 110.3 | L51 I80 | P49-L51 PolarHBondContact O-N 3.45Å; P49-I80 HydrophobicContact CG-CD1 4.04Å; P49-I80 HydrophobicContact CG-CG2 4.24Å |
| 50 | K | 93.4 | Very high | 92.7 | Very high | 171 Ų | 171 | 83.7 Ų | 83.7 | 74% | 0.743 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 124.4 | 167.7 | -66.5 | -176 | -178.5 | 179.5 | 0 | 108.3 | D52 | K50-D52 VanDerWaalsContact C-N 3.35Å; K50-D52 PolarHBondContact O-N 2.83Å |
| 51 | L | 93.2 | Very high | 92.8 | Very high | 30 Ų | 30 | 86.4 Ų | 86.4 | 16% | 0.157 | 46% | 0.457 | C | S | . | . | trans | -89.4 | 79.2 | 177.1 | -61.1 | -179.9 | 0 | 0 | 0 | 108.4 | P49 L55 L56 L76 Q77 I80 | P49-L51 PolarHBondContact O-N 3.45Å; L51-L55 HydrophobicContact CD2-CD2 4.07Å; L51-L56 HydrophobicContact CB-CD1 4.35Å; L51-L56 HydrophobicContact CB-CD2 4.11Å; L51-L56 HydrophobicContact CB-CG 4.15Å; L51-L56 HydrophobicContact CD1-CD2 4.36Å; L51-L76 HydrophobicContact CD1-CD2 3.93Å; L51-L76 HydrophobicContact CD1-CG 4.31Å; L51-L76 HydrophobicContact CD2-CD2 4.46Å; L51-Q77 HydrophobicContact CD1-CG 3.78Å; L51-I80 HydrophobicContact CD2-CD1 4.37Å | ||
| 52 | D | 93.1 | Very high | 92.9 | Very high | 102 Ų | 102 | 88.6 Ų | 88.6 | 55% | 0.545 | 46% | 0.463 | S | S | . | . | trans | -68.6 | 153.5 | 175.4 | -59.9 | -28 | 0 | 0 | 0 | 110.1 | K50 D54 L55 L56 | K50-D52 VanDerWaalsContact C-N 3.35Å; K50-D52 PolarHBondContact O-N 2.83Å; D52-D54 PolarHBondContact O-N 3.29Å; D52-L55 WeakPolarHBondContact O-CB 3.39Å; D52-L55 PolarHBondContact O-N 2.91Å; D52-L56 PolarHBondContact O-N 2.62Å | ||
| 53 | D | 92.8 | Very high | 93 | Very high | 137 Ų | 137 | 84.8 Ų | 84.8 | 73% | 0.733 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -57.5 | -37.1 | -175.8 | -62.4 | -25.8 | 0 | 0 | 0 | 112.6 | L56 H57 | D53-L56 PolarHBondContact O-N 3.25Å; D53-H57 WeakPolarHBondContact O-CB 3.44Å; D53-H57 PolarHBondContact O-N 3.32Å |
| 54 | D | 93.6 | Very high | 93.1 | Very high | 124 Ų | 124 | 85 Ų | 85 | 66% | 0.663 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.8 | -37.2 | 176.3 | -70.5 | -30.3 | 0 | 0 | 0 | 112.3 | D52 L58 | D52-D54 PolarHBondContact O-N 3.29Å; D54-L58 WeakPolarHBondContact O-CB 3.36Å; D54-L58 PolarHBondContact O-N 2.82Å; D54-L58 VanDerWaalsContact O-N 3.07Å |
| 55 | L | 94 | Very high | 93.1 | Very high | 65 Ų | 65 | 85 Ų | 85 | 34% | 0.34 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.6 | -41.9 | 176.3 | 176.2 | 62.2 | 0 | 0 | 0 | 110.7 | L51 D52 L58 L59 | L51-L55 HydrophobicContact CD2-CD2 4.07Å; D52-L55 WeakPolarHBondContact O-CB 3.39Å; D52-L55 PolarHBondContact O-N 2.91Å; L55-L58 PolarHBondContact O-N 3.44Å; L55-L59 HydrophobicContact CD1-CD1 4.47Å; L55-L59 HydrophobicContact CD1-CG 4.39Å; L55-L59 HydrophobicContact CG-CD1 4.25Å; L55-L59 VanDerWaalsContact O-CG 3.31Å; L55-L59 WeakPolarHBondContact O-CG 3.4Å; L55-L59 PolarHBondContact O-N 3.01Å |
| 56 | L | 93.9 | Very high | 92.9 | Very high | 20 Ų | 20 | 89.5 Ų | 89.5 | 11% | 0.105 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -61.1 | -48.1 | 175.8 | -74 | 172.5 | 0 | 0 | 0 | 110.7 | L51 D52 D53 L58 L59 E60 F67 L73 L76 | L51-L56 HydrophobicContact CB-CD1 4.35Å; L51-L56 HydrophobicContact CB-CD2 4.11Å; L51-L56 HydrophobicContact CB-CG 4.15Å; L51-L56 HydrophobicContact CD1-CD2 4.36Å; D52-L56 PolarHBondContact O-N 2.62Å; D53-L56 PolarHBondContact O-N 3.25Å; L56-L58 VanDerWaalsContact C-N 3.31Å; L56-L58 PolarHBondContact O-N 3.38Å; L56-L59 CarbonylContact O-C 3.56Å; L56-L59 WeakPolarHBondContact O-CA 3.32Å; L56-L59 WeakPolarHBondContact O-CB 3.46Å; L56-L59 PolarHBondContact O-N 3.11Å; L56-E60 WeakPolarHBondContact O-CG 3.46Å; L56-E60 PolarHBondContact O-N 2.98Å; L56-F67 HydrophobicContact CD2-CB 4.26Å; L56-L73 HydrophobicContact CD1-CD2 3.71Å; L56-L73 HydrophobicContact CD2-CD2 3.41Å; L56-L73 VanDerWaalsContact CD2-CD2 3.41Å; L56-L73 HydrophobicContact CG-CD2 4.22Å; L56-L76 HydrophobicContact CD2-CD2 4.23Å |
| 57 | H | 91.8 | Very high | 92.7 | Very high | 59 Ų | 59 | 88.7 Ų | 88.7 | 27% | 0.273 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.7 | -44.1 | 177.2 | -173.4 | 57.2 | 0 | 0 | 0 | 112.1 | D53 L59 E60 E61 | D53-H57 WeakPolarHBondContact O-CB 3.44Å; D53-H57 PolarHBondContact O-N 3.32Å; H57-L59 VanDerWaalsContact C-N 3.33Å; H57-L59 PolarHBondContact O-N 3.31Å; H57-E60 WeakPolarHBondContact O-CB 3.44Å; H57-E60 PolarHBondContact O-N 2.98Å; H57-E61 IonicContact CE1-OE1 3.97Å; H57-E61 IonicContact NE2-OE1 3.83Å; H57-E61 WeakPolarHBondContact O-CG 3.31Å; H57-E61 PolarHBondContact O-N 3.47Å |
| 58 | L | 93.7 | Very high | 92.5 | Very high | 78 Ų | 78 | 88.1 Ų | 88.1 | 41% | 0.408 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 174.6 | 179.9 | 64.5 | 0 | 0 | 0 | 112.1 | D54 L55 L56 E60 E61 Q62 | D54-L58 WeakPolarHBondContact O-CB 3.36Å; D54-L58 PolarHBondContact O-N 2.82Å; D54-L58 VanDerWaalsContact O-N 3.07Å; L55-L58 PolarHBondContact O-N 3.44Å; L56-L58 VanDerWaalsContact C-N 3.31Å; L56-L58 PolarHBondContact O-N 3.38Å; L58-E60 VanDerWaalsContact C-N 3.34Å; L58-E61 PolarHBondContact O-N 3.33Å; L58-Q62 HydrophobicContact CD1-CG 4.29Å; L58-Q62 WeakPolarHBondContact O-CB 3.45Å; L58-Q62 VanDerWaalsContact O-CG 3.32Å; L58-Q62 WeakPolarHBondContact O-CG 3.48Å; L58-Q62 PolarHBondContact O-N 2.95Å |
| 59 | L | 94.3 | Very high | 92.3 | Very high | 51 Ų | 51 | 88.6 Ų | 88.6 | 27% | 0.267 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 176.5 | -71.9 | 173.3 | 0 | 0 | 0 | 111.6 | L55 L56 H57 Q62 S63 F67 L76 | L55-L59 HydrophobicContact CD1-CD1 4.47Å; L55-L59 HydrophobicContact CD1-CG 4.39Å; L55-L59 HydrophobicContact CG-CD1 4.25Å; L55-L59 VanDerWaalsContact O-CG 3.31Å; L55-L59 WeakPolarHBondContact O-CG 3.4Å; L55-L59 PolarHBondContact O-N 3.01Å; L56-L59 CarbonylContact O-C 3.56Å; L56-L59 WeakPolarHBondContact O-CA 3.32Å; L56-L59 WeakPolarHBondContact O-CB 3.46Å; L56-L59 PolarHBondContact O-N 3.11Å; H57-L59 VanDerWaalsContact C-N 3.33Å; H57-L59 PolarHBondContact O-N 3.31Å; L59-Q62 PolarHBondContact O-N 3.22Å; L59-S63 VanDerWaalsContact O-CB 3.25Å; L59-S63 WeakPolarHBondContact O-CB 3.49Å; L59-S63 PolarHBondContact O-N 2.98Å; L59-S63 PolarHBondContact O-OG 3.39Å; L59-F67 HydrophobicContact CB-CD2 4.28Å; L59-F67 HydrophobicContact CB-CE2 3.82Å; L59-L76 HydrophobicContact CD1-CD2 4.16Å |
| 60 | E | 93.3 | Very high | 92.4 | Very high | 54 Ų | 54 | 94.1 Ų | 94.1 | 25% | 0.252 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 174.7 | -66 | -175.6 | 141.9 | 0 | 0 | 111.2 | L56 H57 L58 L64 V65 F67 | L56-E60 WeakPolarHBondContact O-CG 3.46Å; L56-E60 PolarHBondContact O-N 2.98Å; H57-E60 WeakPolarHBondContact O-CB 3.44Å; H57-E60 PolarHBondContact O-N 2.98Å; L58-E60 VanDerWaalsContact C-N 3.34Å; E60-L64 WeakPolarHBondContact O-CA 3.25Å; E60-L64 PolarHBondContact O-N 3.4Å; E60-V65 VanDerWaalsContact CA-O 3.3Å; E60-V65 WeakPolarHBondContact CA-O 3.46Å; E60-V65 WeakPolarHBondContact CG-O 3.32Å; E60-F67 HydrophobicContact CB-CD2 4.5Å; E60-F67 HydrophobicContact CG-CB 4.2Å; E60-F67 HydrophobicContact CG-CD2 3.51Å; E60-F67 HydrophobicContact CG-CE2 4.33Å; E60-F67 HydrophobicContact CG-CG 4.27Å; E60-F67 PolarHBondContact OE1-N 2.99Å |
| 61 | E | 91.7 | Very high | 92.5 | Very high | 118 Ų | 118 | 87.9 Ų | 87.9 | 55% | 0.551 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64 | -42 | 178 | -71.7 | -171.9 | 154 | 0 | 0 | 112.4 | H57 L58 L64 | H57-E61 IonicContact CE1-OE1 3.97Å; H57-E61 IonicContact NE2-OE1 3.83Å; H57-E61 WeakPolarHBondContact O-CG 3.31Å; H57-E61 PolarHBondContact O-N 3.47Å; L58-E61 PolarHBondContact O-N 3.33Å; E61-L64 WeakPolarHBondContact O-CD2 3.46Å |
| 62 | Q | 93.6 | Very high | 92.5 | Very high | 142 Ų | 142 | 87.6 Ų | 87.6 | 66% | 0.664 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -75.4 | -36.9 | -178 | -72.3 | -174.4 | -39.6 | 0 | 0 | 113.2 | L58 L59 | L58-Q62 HydrophobicContact CD1-CG 4.29Å; L58-Q62 WeakPolarHBondContact O-CB 3.45Å; L58-Q62 VanDerWaalsContact O-CG 3.32Å; L58-Q62 WeakPolarHBondContact O-CG 3.48Å; L58-Q62 PolarHBondContact O-N 2.95Å; L59-Q62 PolarHBondContact O-N 3.22Å |
| 63 | S | 93.2 | Very high | 92.5 | Very high | 58 Ų | 58 | 85 Ų | 85 | 41% | 0.406 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -90.9 | -17.2 | -178.3 | 66.8 | 0 | 0 | 0 | 0 | 113.2 | L59 V65 | L59-S63 VanDerWaalsContact O-CB 3.25Å; L59-S63 WeakPolarHBondContact O-CB 3.49Å; L59-S63 PolarHBondContact O-N 2.98Å; L59-S63 PolarHBondContact O-OG 3.39Å; S63-V65 PolarHBondContact O-N 3.14Å; S63-V65 WeakPolarHBondContact OG-CB 3.3Å; S63-V65 PolarHBondContact OG-N 3.17Å |
| 64 | L | 91.3 | Very high | 92.6 | Very high | 159 Ų | 159 | 85 Ų | 85 | 83% | 0.832 | 43% | 0.427 | S | S | * | . | trans | 55.5 | 28 | -167.7 | -53.7 | 176.1 | 0 | 0 | 0 | 112.6 | E60 E61 | E60-L64 WeakPolarHBondContact O-CA 3.25Å; E60-L64 PolarHBondContact O-N 3.4Å; E61-L64 WeakPolarHBondContact O-CD2 3.46Å | ||
| 65 | V | 91.2 | Very high | 92.7 | Very high | 78 Ų | 78 | 84.5 Ų | 84.5 | 47% | 0.473 | 42% | 0.421 | S | S | . | . | trans | -115.4 | 133.4 | 177.8 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | E60 S63 F67 | E60-V65 VanDerWaalsContact CA-O 3.3Å; E60-V65 WeakPolarHBondContact CA-O 3.46Å; E60-V65 WeakPolarHBondContact CG-O 3.32Å; S63-V65 PolarHBondContact O-N 3.14Å; S63-V65 WeakPolarHBondContact OG-CB 3.3Å; S63-V65 PolarHBondContact OG-N 3.17Å; V65-F67 HydrophobicContact CB-CZ 4.42Å; V65-F67 HydrophobicContact CG1-CE1 4.4Å; V65-F67 HydrophobicContact CG1-CZ 4.37Å | ||
| 66 | R | 89.5 | Confident | 92.8 | Very high | 125 Ų | 125 | 83.1 Ų | 83.1 | 47% | 0.472 | 41% | 0.413 | S | S | . | . | trans | -80 | 137.5 | 177.4 | -60.2 | 174.3 | 63.7 | -153.6 | -2.2 | 111.1 | D68 | R66-D68 WeakPolarHBondContact CB-OD1 3.44Å; R66-D68 IonicContact CZ-OD1 3.31Å; R66-D68 IonicContact CZ-OD2 3.84Å; R66-D68 VanDerWaalsContact CZ-OD2 3.31Å; R66-D68 IonicContact NE-OD1 3.87Å; R66-D68 IonicContact NE-OD2 3.55Å; R66-D68 IonicContact NH2-OD1 2.63Å; R66-D68 IonicContact NH2-OD2 3.76Å; R66-D68 PolarHBondContact NH2-OD2 3.36Å | ||
| 67 | F | 90 | Very high | 92.9 | Very high | 31 Ų | 31 | 86.1 Ų | 86.1 | 14% | 0.136 | 43% | 0.427 | C | S | . | . | trans | -116.3 | 22.5 | 178.4 | -66.1 | -64.3 | 0 | 0 | 0 | 112.7 | L56 L59 E60 V65 D69 A72 L73 L76 | L56-F67 HydrophobicContact CD2-CB 4.26Å; L59-F67 HydrophobicContact CB-CD2 4.28Å; L59-F67 HydrophobicContact CB-CE2 3.82Å; E60-F67 HydrophobicContact CB-CD2 4.5Å; E60-F67 HydrophobicContact CG-CB 4.2Å; E60-F67 HydrophobicContact CG-CD2 3.51Å; E60-F67 HydrophobicContact CG-CE2 4.33Å; E60-F67 HydrophobicContact CG-CG 4.27Å; E60-F67 PolarHBondContact OE1-N 2.99Å; V65-F67 HydrophobicContact CB-CZ 4.42Å; V65-F67 HydrophobicContact CG1-CE1 4.4Å; V65-F67 HydrophobicContact CG1-CZ 4.37Å; F67-D69 VanDerWaalsContact C-N 3.26Å; F67-D69 PolarHBondContact O-N 3.28Å; F67-A72 HydrophobicContact CD1-CB 4.21Å; F67-L73 HydrophobicContact CB-CD2 4.07Å; F67-L76 HydrophobicContact CD1-CD2 4.32Å; F67-L76 HydrophobicContact CE1-CD2 4.14Å; F67-L76 HydrophobicContact CZ-CD2 4.43Å | ||
| 68 | D | 88 | Confident | 93.1 | Very high | 104 Ų | 104 | 87.6 Ų | 87.6 | 56% | 0.556 | 43% | 0.432 | S | S | * | . | trans | -71.8 | -17.7 | 178.7 | 62.1 | -40.5 | 0 | 0 | 0 | 113.8 | R66 | R66-D68 WeakPolarHBondContact CB-OD1 3.44Å; R66-D68 IonicContact CZ-OD1 3.31Å; R66-D68 IonicContact CZ-OD2 3.84Å; R66-D68 VanDerWaalsContact CZ-OD2 3.31Å; R66-D68 IonicContact NE-OD1 3.87Å; R66-D68 IonicContact NE-OD2 3.55Å; R66-D68 IonicContact NH2-OD1 2.63Å; R66-D68 IonicContact NH2-OD2 3.76Å; R66-D68 PolarHBondContact NH2-OD2 3.36Å | ||
| 69 | D | 91.2 | Very high | 93.2 | Very high | 92 Ų | 92 | 86.6 Ų | 86.6 | 49% | 0.492 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -87.3 | 136.2 | 175.5 | -174 | 10.8 | 0 | 0 | 0 | 112.5 | F67 A71 A72 L73 | F67-D69 VanDerWaalsContact C-N 3.26Å; F67-D69 PolarHBondContact O-N 3.28Å; D69-A71 PolarHBondContact O-N 2.85Å; D69-A71 PolarHBondContact OD1-N 3.48Å; D69-A71 VanDerWaalsContact OD1-N 3.13Å; D69-A71 WeakPolarHBondContact OD2-CB 3.45Å; D69-A72 HydrophobicContact CB-CB 4.16Å; D69-A72 WeakPolarHBondContact O-CB 3.18Å; D69-A72 PolarHBondContact O-N 2.92Å; D69-L73 PolarHBondContact O-N 3.26Å; D69-L73 VanDerWaalsContact O-N 3.09Å |
| 70 | K | 93.4 | Very high | 93.3 | Very high | 178 Ų | 178 | 85.9 Ų | 85.9 | 77% | 0.774 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -59.2 | -34.2 | 173.4 | -65.7 | -178.1 | -178.7 | 178.2 | 0 | 112.1 | W74 | K70-W74 WeakPolarHBondContact O-CB 3.41Å; K70-W74 PolarHBondContact O-N 2.99Å |
| 71 | A | 94.9 | Very high | 93.4 | Very high | 41 Ų | 41 | 86 Ų | 86 | 34% | 0.339 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.9 | -37.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D69 W74 H75 | D69-A71 PolarHBondContact O-N 2.85Å; D69-A71 PolarHBondContact OD1-N 3.48Å; D69-A71 VanDerWaalsContact OD1-N 3.13Å; D69-A71 WeakPolarHBondContact OD2-CB 3.45Å; A71-W74 PolarHBondContact O-N 2.95Å; A71-H75 PolarHBondContact O-N 2.86Å; A71-H75 PolarHBondContact O-ND1 3.14Å; A71-H75 VanDerWaalsContact O-ND1 3.11Å |
| 72 | A | 93.2 | Very high | 93.6 | Very high | 24 Ų | 24 | 88.5 Ų | 88.5 | 20% | 0.198 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.6 | -46 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F67 D69 W74 H75 L76 | F67-A72 HydrophobicContact CD1-CB 4.21Å; D69-A72 HydrophobicContact CB-CB 4.16Å; D69-A72 WeakPolarHBondContact O-CB 3.18Å; D69-A72 PolarHBondContact O-N 2.92Å; A72-W74 PolarHBondContact O-N 3.29Å; A72-H75 PolarHBondContact O-N 3.29Å; A72-L76 WeakPolarHBondContact O-CB 3.37Å; A72-L76 PolarHBondContact O-N 3.04Å |
| 73 | L | 94 | Very high | 93.7 | Very high | 47 Ų | 47 | 83.9 Ų | 83.9 | 25% | 0.246 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 175.6 | -66.8 | 176.6 | 0 | 0 | 0 | 112.6 | L56 F67 D69 L76 Q77 | L56-L73 HydrophobicContact CD1-CD2 3.71Å; L56-L73 HydrophobicContact CD2-CD2 3.41Å; L56-L73 VanDerWaalsContact CD2-CD2 3.41Å; L56-L73 HydrophobicContact CG-CD2 4.22Å; F67-L73 HydrophobicContact CB-CD2 4.07Å; D69-L73 PolarHBondContact O-N 3.26Å; D69-L73 VanDerWaalsContact O-N 3.09Å; L73-L76 PolarHBondContact O-N 3.01Å; L73-Q77 WeakPolarHBondContact O-CG 3.34Å; L73-Q77 PolarHBondContact O-N 2.95Å |
| 74 | W | 95 | Very high | 93.9 | Very high | 137 Ų | 137 | 82.1 Ų | 82.1 | 52% | 0.519 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 176.7 | 179.6 | 84.4 | 0 | 0 | 0 | 112 | K70 A71 A72 Q77 K78 | K70-W74 WeakPolarHBondContact O-CB 3.41Å; K70-W74 PolarHBondContact O-N 2.99Å; A71-W74 PolarHBondContact O-N 2.95Å; A72-W74 PolarHBondContact O-N 3.29Å; W74-Q77 PolarHBondContact O-N 2.69Å; W74-K78 HydrophobicContact CD2-CG 4.13Å; W74-K78 HydrophobicContact CE3-CG 4.44Å; W74-K78 HydrophobicContact CH2-CG 4.13Å; W74-K78 HydrophobicContact CZ2-CD 4.2Å; W74-K78 HydrophobicContact CZ2-CG 3.8Å; W74-K78 HydrophobicContact CZ3-CG 4.44Å; W74-K78 WeakPolarHBondContact O-CG 3.28Å; W74-K78 PolarHBondContact O-N 2.87Å |
| 75 | H | 95.5 | Very high | 94 | Very high | 114 Ų | 114 | 77.2 Ų | 77.2 | 53% | 0.528 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 175.8 | -71.6 | 138.4 | 0 | 0 | 0 | 112 | A71 A72 K78 A79 | A71-H75 PolarHBondContact O-N 2.86Å; A71-H75 PolarHBondContact O-ND1 3.14Å; A71-H75 VanDerWaalsContact O-ND1 3.11Å; A72-H75 PolarHBondContact O-N 3.29Å; H75-K78 PolarHBondContact O-N 3.34Å; H75-A79 WeakPolarHBondContact O-CB 3.32Å; H75-A79 PolarHBondContact O-N 3.17Å |
| 76 | L | 95.5 | Very high | 94.1 | Very high | 36 Ų | 36 | 79.6 Ų | 79.6 | 19% | 0.188 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 176.9 | 178.8 | 59.6 | 0 | 0 | 0 | 111.1 | L51 L56 L59 F67 A72 L73 K78 A79 I80 | L51-L76 HydrophobicContact CD1-CD2 3.93Å; L51-L76 HydrophobicContact CD1-CG 4.31Å; L51-L76 HydrophobicContact CD2-CD2 4.46Å; L56-L76 HydrophobicContact CD2-CD2 4.23Å; L59-L76 HydrophobicContact CD1-CD2 4.16Å; F67-L76 HydrophobicContact CD1-CD2 4.32Å; F67-L76 HydrophobicContact CE1-CD2 4.14Å; F67-L76 HydrophobicContact CZ-CD2 4.43Å; A72-L76 WeakPolarHBondContact O-CB 3.37Å; A72-L76 PolarHBondContact O-N 3.04Å; L73-L76 PolarHBondContact O-N 3.01Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 3.37Å; L76-A79 PolarHBondContact O-N 2.65Å; L76-I80 HydrophobicContact CD1-CD1 4.27Å; L76-I80 HydrophobicContact CG-CD1 4.18Å; L76-I80 WeakPolarHBondContact O-CG1 3.38Å; L76-I80 PolarHBondContact O-N 3.35Å |
| 77 | Q | 95.8 | Very high | 94.2 | Very high | 83 Ų | 83 | 80.2 Ų | 80.2 | 39% | 0.388 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 176.2 | -72.5 | 176.6 | -18.8 | 0 | 0 | 112.2 | L51 L73 W74 I80 E81 | L51-Q77 HydrophobicContact CD1-CG 3.78Å; L73-Q77 WeakPolarHBondContact O-CG 3.34Å; L73-Q77 PolarHBondContact O-N 2.95Å; W74-Q77 PolarHBondContact O-N 2.69Å; Q77-I80 PolarHBondContact O-N 3.28Å; Q77-E81 PolarHBondContact O-N 3.45Å |
| 78 | K | 96.1 | Very high | 94.3 | Very high | 89 Ų | 89 | 81.5 Ų | 81.5 | 39% | 0.387 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.1 | -36.7 | 176.4 | -73.6 | -71 | 164.5 | -158.6 | 0 | 113 | W74 H75 L76 E81 Y82 | W74-K78 HydrophobicContact CD2-CG 4.13Å; W74-K78 HydrophobicContact CE3-CG 4.44Å; W74-K78 HydrophobicContact CH2-CG 4.13Å; W74-K78 HydrophobicContact CZ2-CD 4.2Å; W74-K78 HydrophobicContact CZ2-CG 3.8Å; W74-K78 HydrophobicContact CZ3-CG 4.44Å; W74-K78 WeakPolarHBondContact O-CG 3.28Å; W74-K78 PolarHBondContact O-N 2.87Å; H75-K78 PolarHBondContact O-N 3.34Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 3.37Å; K78-E81 IonicContact NZ-OE1 3.99Å; K78-E81 IonicContact NZ-OE2 2.69Å; K78-E81 PolarHBondContact NZ-OE2 2.95Å; K78-E81 PolarHBondContact O-N 3.41Å; K78-Y82 WeakPolarHBondContact O-CB 3.44Å; K78-Y82 PolarHBondContact O-N 3.27Å |
| 79 | A | 96.5 | Very high | 94.4 | Very high | 57 Ų | 57 | 80.6 Ų | 80.6 | 47% | 0.471 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | H75 L76 Y82 A83 | H75-A79 WeakPolarHBondContact O-CB 3.32Å; H75-A79 PolarHBondContact O-N 3.17Å; L76-A79 PolarHBondContact O-N 2.65Å; A79-Y82 PolarHBondContact O-N 3.42Å; A79-A83 WeakPolarHBondContact O-CB 3.38Å; A79-A83 PolarHBondContact O-N 3.5Å |
| 80 | I | 96.4 | Very high | 94.4 | Very high | 37 Ų | 37 | 81.9 Ų | 81.9 | 19% | 0.19 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 174.8 | -62.5 | 164.3 | 0 | 0 | 0 | 110.7 | L48 P49 L51 L76 Q77 Y82 A83 N84 | L48-I80 HydrophobicContact CD2-CB 4.17Å; L48-I80 HydrophobicContact CD2-CG2 3.83Å; P49-I80 HydrophobicContact CG-CD1 4.04Å; P49-I80 HydrophobicContact CG-CG2 4.24Å; L51-I80 HydrophobicContact CD2-CD1 4.37Å; L76-I80 HydrophobicContact CD1-CD1 4.27Å; L76-I80 HydrophobicContact CG-CD1 4.18Å; L76-I80 WeakPolarHBondContact O-CG1 3.38Å; L76-I80 PolarHBondContact O-N 3.35Å; Q77-I80 PolarHBondContact O-N 3.28Å; I80-Y82 PolarHBondContact O-N 3.28Å; I80-A83 PolarHBondContact O-N 3.08Å; I80-A83 VanDerWaalsContact O-N 3.17Å; I80-N84 WeakPolarHBondContact O-CB 3.5Å; I80-N84 VanDerWaalsContact O-CG 3.23Å; I80-N84 PolarHBondContact O-N 3.06Å; I80-N84 PolarHBondContact O-OD1 3.17Å |
| 81 | E | 95.3 | Very high | 94.4 | Very high | 57 Ų | 57 | 77.9 Ų | 77.9 | 27% | 0.266 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -55.9 | -41.3 | 175.3 | -170.3 | -173.5 | 162.5 | 0 | 0 | 111.5 | L48 Q77 K78 | L48-E81 HydrophobicContact CD2-CB 4.02Å; Q77-E81 PolarHBondContact O-N 3.45Å; K78-E81 IonicContact NZ-OE1 3.99Å; K78-E81 IonicContact NZ-OE2 2.69Å; K78-E81 PolarHBondContact NZ-OE2 2.95Å; K78-E81 PolarHBondContact O-N 3.41Å |
| 82 | Y | 95.7 | Very high | 94.4 | Very high | 169 Ų | 169 | 81.7 Ų | 81.7 | 66% | 0.663 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67.9 | -45.5 | 176.7 | -176.7 | -102 | 0 | 0 | 0 | 112.1 | K78 A79 I80 N84 Q85 | K78-Y82 WeakPolarHBondContact O-CB 3.44Å; K78-Y82 PolarHBondContact O-N 3.27Å; A79-Y82 PolarHBondContact O-N 3.42Å; I80-Y82 PolarHBondContact O-N 3.28Å; Y82-N84 VanDerWaalsContact C-N 3.3Å; Y82-N84 PolarHBondContact O-N 3.35Å; Y82-Q85 VanDerWaalsContact O-CB 3.25Å; Y82-Q85 WeakPolarHBondContact O-CB 3.38Å; Y82-Q85 WeakPolarHBondContact O-CG 3.46Å; Y82-Q85 PolarHBondContact O-N 3.18Å |
| 83 | A | 96.7 | Very high | 94.5 | Very high | 45 Ų | 45 | 88.8 Ų | 88.8 | 37% | 0.372 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.9 | -33.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A79 I80 Q85 L86 | A79-A83 WeakPolarHBondContact O-CB 3.38Å; A79-A83 PolarHBondContact O-N 3.5Å; I80-A83 PolarHBondContact O-N 3.08Å; I80-A83 VanDerWaalsContact O-N 3.17Å; A83-Q85 PolarHBondContact O-N 3.41Å; A83-Q85 VanDerWaalsContact O-N 3.08Å; A83-L86 VanDerWaalsContact O-CB 3.28Å; A83-L86 WeakPolarHBondContact O-CB 3.49Å; A83-L86 WeakPolarHBondContact O-CG 3.47Å; A83-L86 PolarHBondContact O-N 3.11Å |
| 84 | N | 96.1 | Very high | 94.5 | Very high | 21 Ų | 21 | 91.4 Ų | 91.4 | 11% | 0.112 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -58.5 | -25.7 | 178.6 | -77.7 | -0.8 | 0 | 0 | 0 | 112.7 | P46 I80 Y82 L86 H87 | P46-N84 HydrophobicContact CG-CB 4.05Å; P46-N84 PolarHBondContact O-ND2 3.23Å; I80-N84 WeakPolarHBondContact O-CB 3.5Å; I80-N84 VanDerWaalsContact O-CG 3.23Å; I80-N84 PolarHBondContact O-N 3.06Å; I80-N84 PolarHBondContact O-OD1 3.17Å; Y82-N84 VanDerWaalsContact C-N 3.3Å; Y82-N84 PolarHBondContact O-N 3.35Å; N84-L86 PolarHBondContact O-N 3.07Å; N84-L86 VanDerWaalsContact O-N 3.17Å; N84-H87 WeakPolarHBondContact O-CB 3.38Å; N84-H87 PolarHBondContact O-CD2 3.38Å; N84-H87 PolarHBondContact O-N 3.29Å |
| 85 | Q | 93.8 | Very high | 94.4 | Very high | 57 Ų | 57 | 92 Ų | 92 | 27% | 0.266 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -58.6 | -25.7 | 174.6 | -64.3 | 177.3 | 27.1 | 0 | 0 | 113.2 | I40 L45 Y82 A83 H87 A88 | I40-Q85 HydrophobicContact CD1-CB 3.69Å; I40-Q85 HydrophobicContact CD1-CG 4.03Å; I40-Q85 HydrophobicContact CG2-CG 4.47Å; L45-Q85 HydrophobicContact CD1-CG 4.06Å; Y82-Q85 VanDerWaalsContact O-CB 3.25Å; Y82-Q85 WeakPolarHBondContact O-CB 3.38Å; Y82-Q85 WeakPolarHBondContact O-CG 3.46Å; Y82-Q85 PolarHBondContact O-N 3.18Å; A83-Q85 PolarHBondContact O-N 3.41Å; A83-Q85 VanDerWaalsContact O-N 3.08Å; Q85-H87 PolarHBondContact O-N 3.09Å; Q85-A88 WeakPolarHBondContact O-CB 3.39Å; Q85-A88 PolarHBondContact O-N 3.21Å |
| 86 | L | 93.2 | Very high | 94.3 | Very high | 127 Ų | 127 | 91.8 Ų | 91.8 | 67% | 0.665 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -65.8 | -22.8 | 177.2 | -62.6 | 175.4 | 0 | 0 | 0 | 112.6 | A83 N84 A88 V89 | A83-L86 VanDerWaalsContact O-CB 3.28Å; A83-L86 WeakPolarHBondContact O-CB 3.49Å; A83-L86 WeakPolarHBondContact O-CG 3.47Å; A83-L86 PolarHBondContact O-N 3.11Å; N84-L86 PolarHBondContact O-N 3.07Å; N84-L86 VanDerWaalsContact O-N 3.17Å; L86-A88 PolarHBondContact O-N 3.44Å; L86-V89 WeakPolarHBondContact O-CB 3.39Å; L86-V89 PolarHBondContact O-N 3.3Å; L86-V89 VanDerWaalsContact O-N 3.09Å |
| 87 | H | 92.7 | Very high | 94.2 | Very high | 138 Ų | 138 | 98.6 Ų | 98.6 | 64% | 0.639 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -66.7 | -20.3 | 174.9 | -74.9 | -80.5 | 0 | 0 | 0 | 113.6 | N84 Q85 V89 | N84-H87 WeakPolarHBondContact O-CB 3.38Å; N84-H87 PolarHBondContact O-CD2 3.38Å; N84-H87 PolarHBondContact O-N 3.29Å; Q85-H87 PolarHBondContact O-N 3.09Å; H87-V89 PolarHBondContact O-N 2.69Å |
| 88 | A | 91 | Very high | 94 | Very high | 59 Ų | 59 | 102.6 Ų | 102.6 | 49% | 0.488 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -75.8 | -9.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I40 Q85 L86 | I40-A88 HydrophobicContact CG2-CB 4.09Å; Q85-A88 WeakPolarHBondContact O-CB 3.39Å; Q85-A88 PolarHBondContact O-N 3.21Å; L86-A88 PolarHBondContact O-N 3.44Å |
| 89 | V | 90.1 | Very high | 93.7 | Very high | 84 Ų | 84 | 104.3 Ų | 104.3 | 51% | 0.509 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -89.3 | 118.5 | 177.7 | -175.4 | 0 | 0 | 0 | 0 | 109 | L86 H87 T91 | L86-V89 WeakPolarHBondContact O-CB 3.39Å; L86-V89 PolarHBondContact O-N 3.3Å; L86-V89 VanDerWaalsContact O-N 3.09Å; H87-V89 PolarHBondContact O-N 2.69Å; V89-T91 HydrophobicContact CG1-CG2 4.29Å; V89-T91 PolarHBondContact O-N 2.92Å |
| 90 | D | 91.2 | Very high | 93.3 | Very high | 120 Ų | 120 | 109 Ų | 109 | 64% | 0.642 | 58% | 0.576 | S | S | * | * | trans | -65.9 | 119.2 | 170.9 | -177.7 | 12.5 | 0 | 0 | 0 | 109.8 | D92 | D90-D92 VanDerWaalsContact OD1-CB 3.24Å; D90-D92 WeakPolarHBondContact OD1-CB 3.28Å; D90-D92 PolarHBondContact OD1-N 3.15Å | ||
| 91 | T | 93.3 | Very high | 92.8 | Very high | 94 Ų | 94 | 112.5 Ų | 112.5 | 58% | 0.577 | 60% | 0.604 | S | S | * | * | trans | -118.9 | 12.9 | 176.7 | 52.5 | 0 | 0 | 0 | 0 | 111.4 | V89 N93 V94 | V89-T91 HydrophobicContact CG1-CG2 4.29Å; V89-T91 PolarHBondContact O-N 2.92Å; T91-N93 PolarHBondContact O-N 3.37Å; T91-V94 PolarHBondContact O-N 3.32Å; T91-V94 VanDerWaalsContact O-N 3.1Å | ||
| 92 | D | 95.1 | Very high | 92.4 | Very high | 121 Ų | 121 | 115.6 Ų | 115.6 | 65% | 0.647 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | 126.8 | 178.1 | -72.6 | -20.2 | 0 | 0 | 0 | 110.2 | D90 V94 | D90-D92 VanDerWaalsContact OD1-CB 3.24Å; D90-D92 WeakPolarHBondContact OD1-CB 3.28Å; D90-D92 PolarHBondContact OD1-N 3.15Å; D92-V94 PolarHBondContact O-N 3.27Å |
| 93 | N | 94.8 | Very high | 91.8 | Very high | 173 Ų | 173 | 115.7 Ų | 115.7 | 93% | 0.925 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.3 | 18.9 | -177.6 | -44 | -77.1 | 0 | 0 | 0 | 115.3 | T91 | T91-N93 PolarHBondContact O-N 3.37Š|
| 94 | V | 93.7 | Very high | 91.1 | Very high | 101 Ų | 101 | 117.8 Ų | 117.8 | 61% | 0.612 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 118.6 | 172.5 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | T91 D92 | T91-V94 PolarHBondContact O-N 3.32Å; T91-V94 VanDerWaalsContact O-N 3.1Å; D92-V94 PolarHBondContact O-N 3.27Å |
| 95 | E | 93 | Very high | 90.3 | Very high | 150 Ų | 150 | 123.2 Ų | 123.2 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 137 | 173.3 | -170.7 | 178.5 | 178.1 | 0 | 0 | 110.4 | M97 | E95-M97 PolarHBondContact O-N 3.29Š|
| 96 | P | 94.3 | Very high | 89.7 | Confident | 109 Ų | 109 | 126.7 Ų | 126.7 | 71% | 0.708 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 131.9 | 173.6 | -25.4 | 34.7 | 0 | 0 | 0 | 111.9 | Y98 | P96-Y98 PolarHBondContact O-N 2.93Š|
| 97 | M | 92.6 | Very high | 89.3 | Confident | 180 Ų | 180 | 129.3 Ų | 129.3 | 89% | 0.887 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 120.7 | 176.8 | -174.1 | -177.8 | 70.6 | 0 | 0 | 110.2 | E95 | E95-M97 PolarHBondContact O-N 3.29Š|
| 98 | Y | 92.3 | Very high | 88.9 | Confident | 167 Ų | 167 | 131.5 Ų | 131.5 | 66% | 0.655 | 73% | 0.729 | S | S | * | * | trans | -129.6 | 153.4 | 167.1 | 66.8 | -85.9 | 0 | 0 | 0 | 109.7 | P96 L100 | P96-Y98 PolarHBondContact O-N 2.93Å; Y98-L100 HydrophobicContact CD2-CD2 4.44Å; Y98-L100 HydrophobicContact CE2-CD2 4.27Å | ||
| 99 | T | 89.7 | Confident | 88.7 | Confident | 125 Ų | 125 | 134 Ų | 134 | 77% | 0.767 | 73% | 0.732 | S | S | * | * | trans | -122.5 | 134.1 | -179.6 | 52.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 100 | L | 88.5 | Confident | 88.7 | Confident | 155 Ų | 155 | 136.6 Ų | 136.6 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -82 | 141.8 | 170.9 | -59.4 | 177.2 | 0 | 0 | 0 | 109.6 | Y98 | Y98-L100 HydrophobicContact CD2-CD2 4.44Å; Y98-L100 HydrophobicContact CE2-CD2 4.27Å |
| 101 | S | 85.8 | Confident | 88.7 | Confident | 110 Ų | 110 | 139.6 Ų | 139.6 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 143 | 170.6 | -170 | 0 | 0 | 0 | 0 | 109.5 | ||
| 102 | D | 86.8 | Confident | 88.5 | Confident | 123 Ų | 123 | 140.1 Ų | 140.1 | 66% | 0.658 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 135.5 | 174.6 | -65 | -39.2 | 0 | 0 | 0 | 110.1 | C104 | D102-C104 PolarHBondContact O-N 3.35Š|
| 103 | D | 83 | Confident | 88.4 | Confident | 171 Ų | 171 | 140.2 Ų | 140.2 | 91% | 0.914 | 74% | 0.741 | S | S | * | * | trans | -78.3 | 61.4 | 177.4 | -76.1 | -25.7 | 0 | 0 | 0 | 111.9 | ||||
| 104 | C | 81.4 | Confident | 88.2 | Confident | 89 Ų | 89 | 136 Ų | 136 | 60% | 0.601 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 133.1 | 176.1 | -72.8 | 0 | 0 | 0 | 0 | 111 | D102 T106 | D102-C104 PolarHBondContact O-N 3.35Å; C104-T106 PolarHBondContact O-N 3.33Å; C104-T106 VanDerWaalsContact O-N 3.15Å |
| 105 | P | 79.7 | Confident | 88.2 | Confident | 135 Ų | 135 | 132.3 Ų | 132.3 | 88% | 0.877 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 121 | 174.4 | 26.5 | -32.7 | 0 | 0 | 0 | 109.4 | ||
| 106 | T | 80.8 | Confident | 88.2 | Confident | 129 Ų | 129 | 129.1 Ų | 129.1 | 79% | 0.791 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -93 | 145.3 | 173.4 | -57.4 | 0 | 0 | 0 | 0 | 109.3 | C104 | C104-T106 PolarHBondContact O-N 3.33Å; C104-T106 VanDerWaalsContact O-N 3.15Å |
| 107 | E | 84.7 | Confident | 88.1 | Confident | 183 Ų | 183 | 131.1 Ų | 131.1 | 86% | 0.855 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 136.9 | 174.9 | -64.3 | -175.2 | 169.5 | 0 | 0 | 110.4 | ||
| 108 | M | 84.6 | Confident | 88.1 | Confident | 184 Ų | 184 | 123.8 Ų | 123.8 | 91% | 0.906 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 133.9 | 176.8 | -59.6 | -169.6 | -40.6 | 0 | 0 | 110 | ||
| 109 | I | 87.9 | Confident | 88 | Confident | 110 Ų | 110 | 121 Ų | 121 | 56% | 0.564 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 142.3 | 175.6 | -60.3 | 166.4 | 0 | 0 | 0 | 109.5 | E113 L114 | I109-E113 HydrophobicContact CG2-CB 3.88Å; I109-E113 HydrophobicContact CG2-CG 3.94Å; I109-L114 HydrophobicContact CG2-CB 4.45Å |
| 110 | E | 89.8 | Confident | 88 | Confident | 139 Ų | 139 | 118.4 Ų | 118.4 | 65% | 0.65 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 139.9 | 175.6 | -67.1 | -168.9 | 167.2 | 0 | 0 | 111.1 | T112 E113 L114 | E110-T112 PolarHBondContact O-N 3.22Å; E110-T112 VanDerWaalsContact O-N 3.14Å; E110-E113 WeakPolarHBondContact O-CB 3.4Å; E110-E113 PolarHBondContact O-N 2.91Å; E110-L114 PolarHBondContact O-N 3.1Å |
| 111 | R | 90.4 | Very high | 88.2 | Confident | 183 Ų | 183 | 114.2 Ų | 114.2 | 69% | 0.691 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -54.5 | -38.7 | -177 | -174.9 | -168.8 | -67.8 | 126.9 | -3.3 | 112.7 | E113 L114 L115 | R111-E113 VanDerWaalsContact C-N 3.35Å; R111-L114 PolarHBondContact O-N 2.97Å; R111-L115 HydrophobicContact CG-CD1 3.84Å; R111-L115 HydrophobicContact CG-CG 4.34Å; R111-L115 WeakPolarHBondContact O-CG 3.25Å; R111-L115 PolarHBondContact O-N 3.38Å |
| 112 | T | 89.7 | Confident | 88.3 | Confident | 106 Ų | 106 | 112.5 Ų | 112.5 | 65% | 0.65 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.4 | -42.2 | 179 | 35.7 | 0 | 0 | 0 | 0 | 112.1 | E110 S116 | E110-T112 PolarHBondContact O-N 3.22Å; E110-T112 VanDerWaalsContact O-N 3.14Å; T112-S116 PolarHBondContact O-N 2.9Å |
| 113 | E | 92.3 | Very high | 88.5 | Confident | 122 Ų | 122 | 115.4 Ų | 115.4 | 57% | 0.57 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69 | -42.2 | 175.6 | -175.6 | 175 | -173 | 0 | 0 | 110.7 | I109 E110 R111 L115 S116 | I109-E113 HydrophobicContact CG2-CB 3.88Å; I109-E113 HydrophobicContact CG2-CG 3.94Å; E110-E113 WeakPolarHBondContact O-CB 3.4Å; E110-E113 PolarHBondContact O-N 2.91Å; R111-E113 VanDerWaalsContact C-N 3.35Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 3.13Å; E113-S116 WeakPolarHBondContact O-CB 3.38Å; E113-S116 PolarHBondContact O-N 2.94Å; E113-S116 PolarHBondContact O-OG 2.89Å |
| 114 | L | 91.8 | Very high | 88.8 | Confident | 86 Ų | 86 | 108.8 Ų | 108.8 | 45% | 0.45 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -60.4 | -39.9 | 178.8 | -172.2 | 147.2 | 0 | 0 | 0 | 112.8 | I109 E110 R111 F126 | I109-L114 HydrophobicContact CG2-CB 4.45Å; E110-L114 PolarHBondContact O-N 3.1Å; R111-L114 PolarHBondContact O-N 2.97Å; L114-F126 HydrophobicContact CD2-CE2 3.49Å; L114-F126 VanDerWaalsContact CD2-CE2 3.49Å; L114-F126 HydrophobicContact CD2-CZ 3.45Å; L114-F126 VanDerWaalsContact CD2-CZ 3.45Å |
| 115 | L | 93.7 | Very high | 89.2 | Confident | 23 Ų | 23 | 112.7 Ų | 112.7 | 12% | 0.12 | 61% | 0.613 | C | S | . | * | H | α-helix | trans | -82.6 | -11.1 | 179.7 | -66.7 | 171.7 | 0 | 0 | 0 | 113.8 | R111 E113 N117 A118 F126 | R111-L115 HydrophobicContact CG-CD1 3.84Å; R111-L115 HydrophobicContact CG-CG 4.34Å; R111-L115 WeakPolarHBondContact O-CG 3.25Å; R111-L115 PolarHBondContact O-N 3.38Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 3.13Å; L115-N117 PolarHBondContact O-N 3.36Å; L115-N117 VanDerWaalsContact O-N 3.14Å; L115-A118 VanDerWaalsContact O-CB 3.32Å; L115-A118 WeakPolarHBondContact O-CB 3.39Å; L115-A118 PolarHBondContact O-N 3.17Å; L115-F126 HydrophobicContact CD2-CD1 4.2Å; L115-F126 HydrophobicContact CD2-CD2 4.06Å; L115-F126 HydrophobicContact CD2-CE1 4.01Å; L115-F126 HydrophobicContact CD2-CE2 3.86Å; L115-F126 HydrophobicContact CD2-CG 4.23Å; L115-F126 HydrophobicContact CD2-CZ 3.84Å |
| 116 | S | 92.9 | Very high | 89.8 | Confident | 83 Ų | 83 | 112 Ų | 112 | 58% | 0.58 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -22.1 | -176 | 69.2 | 0 | 0 | 0 | 0 | 113.9 | T112 E113 | T112-S116 PolarHBondContact O-N 2.9Å; E113-S116 WeakPolarHBondContact O-CB 3.38Å; E113-S116 PolarHBondContact O-N 2.94Å; E113-S116 PolarHBondContact O-OG 2.89Å |
| 117 | N | 92 | Very high | 90.3 | Very high | 150 Ų | 150 | 108.9 Ų | 108.9 | 80% | 0.802 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -6.6 | 177.7 | -64.7 | -41.5 | 0 | 0 | 0 | 113.6 | L115 | L115-N117 PolarHBondContact O-N 3.36Å; L115-N117 VanDerWaalsContact O-N 3.14Å |
| 118 | A | 91.8 | Very high | 90.5 | Very high | 26 Ų | 26 | 104 Ų | 104 | 22% | 0.215 | 57% | 0.569 | C | S | . | * | trans | -76 | 130.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L115 V120 F126 | L115-A118 VanDerWaalsContact O-CB 3.32Å; L115-A118 WeakPolarHBondContact O-CB 3.39Å; L115-A118 PolarHBondContact O-N 3.17Å; A118-V120 VanDerWaalsContact C-N 3.31Å; A118-V120 PolarHBondContact O-N 3.02Å; A118-F126 HydrophobicContact CB-CD1 3.6Å; A118-F126 HydrophobicContact CB-CE1 3.68Å | ||
| 119 | A | 91.2 | Very high | 90.5 | Very high | 108 Ų | 108 | 100.6 Ų | 100.6 | 89% | 0.893 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -63.3 | -39.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 120 | V | 90.3 | Very high | 90.3 | Very high | 72 Ų | 72 | 101.7 Ų | 101.7 | 44% | 0.436 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -135 | 130.4 | 176.3 | -175.1 | 0 | 0 | 0 | 0 | 108.5 | A118 V127 | A118-V120 VanDerWaalsContact C-N 3.31Å; A118-V120 PolarHBondContact O-N 3.02Å; V120-V127 HydrophobicContact CB-CB 4.35Å; V120-V127 HydrophobicContact CG1-CB 3.95Å; V120-V127 HydrophobicContact CG1-CG1 4.4Å; V120-V127 HydrophobicContact CG1-CG2 4.06Å; V120-V127 PolarHBondContact O-N 3.48Å |
| 121 | S | 90.9 | Very high | 89.5 | Confident | 67 Ų | 67 | 98.3 Ų | 98.3 | 47% | 0.469 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.9 | 149 | 172.2 | 60.2 | 0 | 0 | 0 | 0 | 109.6 | Y125 | S121-Y125 VanDerWaalsContact CA-O 3.28Å; S121-Y125 WeakPolarHBondContact CA-O 3.45Å; S121-Y125 WeakPolarHBondContact CB-O 3.24Å |
| 122 | C | 89.2 | Confident | 88.3 | Confident | 74 Ų | 74 | 97.7 Ų | 97.7 | 50% | 0.5 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -141 | 129.1 | 177.6 | -170.3 | 0 | 0 | 0 | 0 | 108.9 | G124 Y125 V127 | C122-G124 PolarHBondContact O-N 3.14Å; C122-Y125 PolarHBondContact N-O 3.07Å; C122-Y125 PolarHBondContact O-N 3.21Å; C122-V127 HydrophobicContact CB-CG2 3.46Å; C122-V127 VanDerWaalsContact CB-CG2 3.46Å |
| 123 | E | 90.8 | Very high | 87 | Confident | 183 Ų | 183 | 98.4 Ų | 98.4 | 86% | 0.855 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.5 | 30.3 | 177.7 | -59.9 | -171.6 | 165.3 | 0 | 0 | 115.6 | Y125 | E123-Y125 HydrophobicContact CB-CD2 4.46Å; E123-Y125 WeakPolarHBondContact O-CD2 3.2Å; E123-Y125 WeakPolarHBondContact O-CE2 3.3Å |
| 124 | G | 88.5 | Confident | 85.7 | Confident | 32 Ų | 32 | 98.3 Ų | 98.3 | 33% | 0.33 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 83.7 | 17.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | C122 | C122-G124 PolarHBondContact O-N 3.14Š|
| 125 | Y | 90.9 | Very high | 84.4 | Confident | 171 Ų | 171 | 100.5 Ų | 100.5 | 67% | 0.671 | 61% | 0.612 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -122.5 | 157.2 | 175 | -60.2 | -86.4 | 0 | 0 | 0 | 111.4 | S121 C122 E123 | S121-Y125 VanDerWaalsContact CA-O 3.28Å; S121-Y125 WeakPolarHBondContact CA-O 3.45Å; S121-Y125 WeakPolarHBondContact CB-O 3.24Å; C122-Y125 PolarHBondContact N-O 3.07Å; C122-Y125 PolarHBondContact O-N 3.21Å; E123-Y125 HydrophobicContact CB-CD2 4.46Å; E123-Y125 WeakPolarHBondContact O-CD2 3.2Å; E123-Y125 WeakPolarHBondContact O-CE2 3.3Å |
| 126 | F | 92.2 | Very high | 83.2 | Confident | 122 Ų | 122 | 106.7 Ų | 106.7 | 54% | 0.535 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72 | 138 | 166.1 | -62.8 | -84.1 | 0 | 0 | 0 | 109.6 | L114 L115 A118 | L114-F126 HydrophobicContact CD2-CE2 3.49Å; L114-F126 VanDerWaalsContact CD2-CE2 3.49Å; L114-F126 HydrophobicContact CD2-CZ 3.45Å; L114-F126 VanDerWaalsContact CD2-CZ 3.45Å; L115-F126 HydrophobicContact CD2-CD1 4.2Å; L115-F126 HydrophobicContact CD2-CD2 4.06Å; L115-F126 HydrophobicContact CD2-CE1 4.01Å; L115-F126 HydrophobicContact CD2-CE2 3.86Å; L115-F126 HydrophobicContact CD2-CG 4.23Å; L115-F126 HydrophobicContact CD2-CZ 3.84Å; A118-F126 HydrophobicContact CB-CD1 3.6Å; A118-F126 HydrophobicContact CB-CE1 3.68Å |
| 127 | V | 91.6 | Very high | 81.8 | Confident | 63 Ų | 63 | 110 Ų | 110 | 38% | 0.382 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -100.1 | 117.9 | 174.5 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | V120 C122 | V120-V127 HydrophobicContact CB-CB 4.35Å; V120-V127 HydrophobicContact CG1-CB 3.95Å; V120-V127 HydrophobicContact CG1-CG1 4.4Å; V120-V127 HydrophobicContact CG1-CG2 4.06Å; V120-V127 PolarHBondContact O-N 3.48Å; C122-V127 HydrophobicContact CB-CG2 3.46Å; C122-V127 VanDerWaalsContact CB-CG2 3.46Å |
| 128 | A | 88.2 | Confident | 80.1 | Confident | 81 Ų | 81 | 110 Ų | 110 | 67% | 0.669 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 145.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 129 | P | 85.4 | Confident | 78.3 | Confident | 111 Ų | 111 | 114.2 Ų | 114.2 | 72% | 0.721 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 148.6 | 165.6 | -23.4 | 34 | 0 | 0 | 0 | 110.8 | G131 | P129-G131 PolarHBondContact O-N 2.96Š|
| 130 | P | 82.6 | Confident | 76.5 | Confident | 134 Ų | 134 | 112.4 Ų | 112.4 | 87% | 0.87 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -55.1 | 131.6 | 173.9 | 24 | -32.7 | 0 | 0 | 0 | 110.2 | ||
| 131 | G | 72.6 | Confident | 74.5 | Confident | 67 Ų | 67 | 117.5 Ų | 117.5 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 155.1 | -157.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | P129 V133 | P129-G131 PolarHBondContact O-N 2.96Å; G131-V133 PolarHBondContact O-N 2.87Å |
| 132 | N | 65.3 | Low | 72.6 | Confident | 170 Ų | 170 | 119.3 Ų | 119.3 | 91% | 0.909 | 67% | 0.668 | S | S | * | * | trans | 8.4 | 87.7 | 160.4 | -80.7 | 41 | 0 | 0 | 0 | 118.1 | ||||
| 133 | V | 62.8 | Low | 70.6 | Confident | 121 Ų | 121 | 120.7 Ų | 120.7 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 130.6 | 148.6 | -176.9 | 0 | 0 | 0 | 0 | 106.9 | G131 L135 | G131-V133 PolarHBondContact O-N 2.87Å; V133-L135 PolarHBondContact O-N 3.05Å; V133-L135 VanDerWaalsContact O-N 3.11Å |
| 134 | P | 64.5 | Low | 68.7 | Low | 120 Ų | 120 | 119.4 Ų | 119.4 | 78% | 0.779 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 120.9 | 172.8 | -22.9 | 32.4 | 0 | 0 | 0 | 109.4 | E136 | P134-E136 PolarHBondContact O-N 2.75Š|
| 135 | L | 64.7 | Low | 67.3 | Low | 133 Ų | 133 | 125.6 Ų | 125.6 | 70% | 0.696 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 128.9 | 174.5 | -64.2 | 175.4 | 0 | 0 | 0 | 107.9 | V133 V140 | V133-L135 PolarHBondContact O-N 3.05Å; V133-L135 VanDerWaalsContact O-N 3.11Å; L135-V140 HydrophobicContact CD1-CG2 4.43Å |
| 136 | E | 68.3 | Low | 65.5 | Low | 153 Ų | 153 | 124.9 Ų | 124.9 | 72% | 0.715 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 143.7 | 170.2 | -64.2 | -163.6 | -175 | 0 | 0 | 109.2 | P134 N138 D139 | P134-E136 PolarHBondContact O-N 2.75Å; E136-N138 PolarHBondContact O-N 2.81Å; E136-D139 PolarHBondContact O-N 2.87Å |
| 137 | K | 63.8 | Low | 63.8 | Low | 153 Ų | 153 | 125.8 Ų | 125.8 | 67% | 0.665 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -4.5 | -166 | -66.1 | -176.2 | 173.4 | -169.4 | 0 | 116.1 | ||
| 138 | N | 57.1 | Low | 62.4 | Low | 148 Ų | 148 | 128 Ų | 128 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.5 | -2.6 | -170.8 | -62.9 | -45.3 | 0 | 0 | 0 | 115.8 | E136 | E136-N138 PolarHBondContact O-N 2.81Š|
| 139 | D | 52.9 | Low | 60.7 | Low | 115 Ų | 115 | 131.4 Ų | 131.4 | 62% | 0.615 | 74% | 0.742 | S | S | * | * | trans | -117.5 | 50.4 | -163.6 | -65.8 | -27.1 | 0 | 0 | 0 | 114.8 | E136 Q141 | E136-D139 PolarHBondContact O-N 2.87Å; D139-Q141 PolarHBondContact O-N 3.07Å | ||
| 140 | V | 55.1 | Low | 58.7 | Low | 70 Ų | 70 | 131.1 Ų | 131.1 | 42% | 0.424 | 74% | 0.741 | S | S | . | * | trans | -96.4 | 71.9 | 164.5 | -169.4 | 0 | 0 | 0 | 0 | 109.5 | L135 V142 | L135-V140 HydrophobicContact CD1-CG2 4.43Å; V140-V142 HydrophobicContact CG1-CG2 3.81Å | ||
| 141 | Q | 47.7 | Very low | 56.6 | Low | 179 Ų | 179 | 138 Ų | 138 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | trans | -97.3 | 100.6 | 154.1 | -64.3 | -152.2 | -3.1 | 0 | 0 | 107.4 | D139 T143 | D139-Q141 PolarHBondContact O-N 3.07Å; Q141-T143 PolarHBondContact O-N 3.46Å | ||
| 142 | V | 51.6 | Low | 55.8 | Low | 106 Ų | 106 | 141.6 Ų | 141.6 | 64% | 0.642 | 76% | 0.761 | S | S | * | * | trans | -71.5 | 114.6 | 177.6 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | V140 | V140-V142 HydrophobicContact CG1-CG2 3.81Š| ||
| 143 | T | 45.6 | Very low | 55.3 | Low | 102 Ų | 102 | 140.1 Ų | 140.1 | 63% | 0.626 | 75% | 0.753 | S | S | * | * | trans | -101 | 130.2 | 165.6 | 52.4 | 0 | 0 | 0 | 0 | 108.9 | Q141 E145 | Q141-T143 PolarHBondContact O-N 3.46Å; T143-E145 PolarHBondContact O-N 3.31Å | ||
| 144 | D | 51.4 | Low | 54.9 | Low | 157 Ų | 157 | 141.2 Ų | 141.2 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -70.6 | 21.2 | -169.8 | -63 | -54.7 | 0 | 0 | 0 | 116.3 | ||
| 145 | E | 59 | Low | 54.3 | Low | 162 Ų | 162 | 142.4 Ų | 142.4 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | trans | -94.9 | -10.5 | -158.6 | -58.6 | -141.3 | 145.5 | 0 | 0 | 117.6 | T143 | T143-E145 PolarHBondContact O-N 3.31Š| ||
| 146 | D | 53.4 | Low | 53.7 | Low | 156 Ų | 156 | 143 Ų | 143 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 4.2 | -165.6 | -68.4 | -35.5 | 0 | 0 | 0 | 117.2 | S148 | D146-S148 PolarHBondContact O-N 2.75Š|
| 147 | V | 57.4 | Low | 52.7 | Low | 141 Ų | 141 | 142.3 Ų | 142.3 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 1.9 | -170.6 | -172.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 148 | S | 61 | Low | 51.9 | Low | 109 Ų | 109 | 141.6 Ų | 141.6 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | -87.6 | -6 | -164.1 | 71.4 | 0 | 0 | 0 | 0 | 118.2 | D146 | D146-S148 PolarHBondContact O-N 2.75Š| ||
| 149 | N | 52.9 | Low | 51.5 | Low | 153 Ų | 153 | 141.1 Ų | 141.1 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -109.6 | 27.2 | -166.3 | -155.6 | 31.2 | 0 | 0 | 0 | 117.7 | ||||
| 150 | C | 42.5 | Very low | 51.4 | Low | 105 Ų | 105 | 143.3 Ų | 143.3 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | trans | -115.7 | 92.4 | 164.9 | -83 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 151 | K | 39.6 | Very low | 51.1 | Low | 279 Ų | 279 | 149.9 Ų | 149.9 | 100% | 1.213 | 81% | 0.808 | S | S | * | * | trans | -133.4 | 0 | 166 | -123.3 | -176.1 | -174.5 | 178.3 | 0 | 109.8 |
Retrieved 151 of 151 residues in 252.2 ms
(Link to these results)