| 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 | 35.1 | Very low | 39.2 | Very low | 240 Ų | 240 | 160.9 Ų | 160.9 | 100% | 1.182 | 85% | 0.849 | S | S | * | * | 0 | 120 | 0 | -66.9 | -171.1 | -149.5 | 0 | 0 | 107.4 | |||||
| 2 | L | 41.1 | Very low | 38.9 | Very low | 172 Ų | 172 | 159.3 Ų | 159.3 | 90% | 0.901 | 84% | 0.84 | S | S | * | * | trans | 18.8 | 137.1 | 149.9 | -58.6 | 160.8 | 0 | 0 | 0 | 117.4 | ||||
| 3 | S | 40.2 | Very low | 38.9 | Very low | 106 Ų | 106 | 162.2 Ų | 162.2 | 74% | 0.741 | 84% | 0.841 | S | S | * | * | cis | -177.3 | 132.4 | 5.1 | 44.3 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 4 | G | 34.9 | Very low | 39 | Very low | 75 Ų | 75 | 166 Ų | 166 | 77% | 0.773 | 84% | 0.842 | S | S | * | * | trans | -89.9 | 137.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 5 | I | 48.1 | Very low | 39 | Very low | 170 Ų | 170 | 160.7 Ų | 160.7 | 87% | 0.872 | 83% | 0.834 | S | S | * | * | trans | -138.4 | 127 | 156.1 | -61.9 | -177.8 | 0 | 0 | 0 | 107.9 | ||||
| 6 | V | 42.6 | Very low | 38.6 | Very low | 131 Ų | 131 | 157.5 Ų | 157.5 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | -90.1 | 149.6 | -170.3 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 7 | L | 36.6 | Very low | 38.6 | Very low | 158 Ų | 158 | 156.6 Ų | 156.6 | 83% | 0.827 | 82% | 0.823 | S | S | * | * | trans | -38.5 | 146.5 | 167.9 | -75.8 | 99.4 | 0 | 0 | 0 | 115.4 | ||||
| 8 | C | 36.3 | Very low | 38.6 | Very low | 121 Ų | 121 | 153.6 Ų | 153.6 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | -167.7 | 114.1 | 108 | -130.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 9 | R | 36.6 | Very low | 38.7 | Very low | 243 Ų | 243 | 154.5 Ų | 154.5 | 92% | 0.917 | 82% | 0.823 | S | S | * | * | trans | -82.3 | 122.4 | 161.1 | -79.4 | 177.3 | 168.9 | -173.3 | -3.1 | 108.2 | ||||
| 10 | R | 39.6 | Very low | 38.9 | Very low | 220 Ų | 220 | 152.7 Ų | 152.7 | 83% | 0.83 | 82% | 0.818 | S | S | * | * | trans | -149 | 111.7 | 153.3 | -94.8 | -169.7 | 175 | 175 | -1.4 | 112.1 | ||||
| 11 | I | 40 | Very low | 38.8 | Very low | 134 Ų | 134 | 150.2 Ų | 150.2 | 69% | 0.687 | 81% | 0.811 | S | S | * | * | trans | 74 | 99.7 | 130.2 | -54.4 | 164 | 0 | 0 | 0 | 117.6 | ||||
| 12 | L | 35.8 | Very low | 39.1 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | 28 | 122.2 | 125.7 | -69.2 | 151.1 | 0 | 0 | 0 | 118.3 | |||||
| 13 | K | 38.8 | Very low | 39.2 | Very low | 196 Ų | 196 | 146.7 Ų | 146.7 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | -175.3 | 115.8 | 117.1 | -97.4 | 163.3 | -173.6 | -172.1 | 0 | 111.6 | |||||
| 14 | Y | 40.2 | Very low | 39.6 | Very low | 216 Ų | 216 | 148.8 Ų | 148.8 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | 39.2 | 139 | 133.8 | -72 | -88.8 | 0 | 0 | 0 | 122.8 | ||||
| 15 | A | 39.2 | Very low | 40.3 | Very low | 87 Ų | 87 | 152.2 Ų | 152.2 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | trans | 87.5 | 99.7 | 142.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 16 | S | 33.3 | Very low | 40.1 | Very low | 109 Ų | 109 | 155 Ų | 155 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | -9.2 | 125.5 | 135.3 | 54.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 17 | I | 38 | Very low | 40.4 | Very low | 143 Ų | 143 | 152.5 Ų | 152.5 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | -165.1 | 114 | 130.6 | -87.3 | 138.8 | 0 | 0 | 0 | 104.6 | Q19 | I17-Q19 HydrophobicContact CG2-CB 4.22Å; I17-Q19 HydrophobicContact CG2-CG 3.77Å; I17-Q19 PolarHBondContact O-N 3.4Å | ||
| 18 | A | 38.8 | Very low | 40.9 | Very low | 101 Ų | 101 | 153.3 Ų | 153.3 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | trans | -67.6 | 90.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | V20 | A18-V20 VanDerWaalsContact C-N 3.33Å; A18-V20 PolarHBondContact O-N 3.25Å; A18-V20 VanDerWaalsContact O-N 3.11Å | ||
| 19 | Q | 39.9 | Very low | 41.1 | Very low | 171 Ų | 171 | 157 Ų | 157 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | trans | -78.5 | 91.6 | 168.8 | -108.9 | 170.9 | -14.2 | 0 | 0 | 107.4 | I17 C21 | I17-Q19 HydrophobicContact CG2-CB 4.22Å; I17-Q19 HydrophobicContact CG2-CG 3.77Å; I17-Q19 PolarHBondContact O-N 3.4Å; Q19-C21 PolarHBondContact O-N 3.39Å | ||
| 20 | V | 42.2 | Very low | 41.1 | Very low | 119 Ų | 119 | 155 Ų | 155 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | trans | -51.5 | 109.7 | 158.3 | 173.9 | 0 | 0 | 0 | 0 | 106.2 | A18 N22 | A18-V20 VanDerWaalsContact C-N 3.33Å; A18-V20 PolarHBondContact O-N 3.25Å; A18-V20 VanDerWaalsContact O-N 3.11Å; V20-N22 PolarHBondContact O-N 2.87Å | ||
| 21 | C | 37.7 | Very low | 41.5 | Very low | 101 Ų | 101 | 149.7 Ų | 149.7 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | trans | -74.7 | 75 | -180 | -146.8 | 0 | 0 | 0 | 0 | 107.9 | Q19 R23 | Q19-C21 PolarHBondContact O-N 3.39Å; C21-R23 PolarHBondContact O-N 2.88Å | ||
| 22 | N | 41.1 | Very low | 42 | Very low | 123 Ų | 123 | 150.5 Ų | 150.5 | 66% | 0.658 | 76% | 0.757 | S | S | * | * | trans | -72.9 | 76.1 | 170.6 | -119.9 | -0.2 | 0 | 0 | 0 | 107.3 | V20 H24 | V20-N22 PolarHBondContact O-N 2.87Å; N22-H24 PolarHBondContact O-N 2.97Å; N22-H24 PolarHBondContact O-ND1 2.98Å | ||
| 23 | R | 44.3 | Very low | 42.8 | Very low | 214 Ų | 214 | 150.7 Ų | 150.7 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | trans | -66.3 | 87.4 | 172.3 | -75.9 | -173.3 | 179.2 | -165.7 | -0.1 | 108.4 | C21 I25 | C21-R23 PolarHBondContact O-N 2.88Å; R23-I25 PolarHBondContact O-N 3.37Å; R23-I25 VanDerWaalsContact O-N 3.15Å | ||
| 24 | H | 47.2 | Very low | 43.7 | Very low | 151 Ų | 151 | 150 Ų | 150 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | -69.8 | 104.2 | 166.8 | -71.1 | 64.4 | 0 | 0 | 0 | 107.6 | N22 R26 | N22-H24 PolarHBondContact O-N 2.97Å; N22-H24 PolarHBondContact O-ND1 2.98Å; H24-R26 PolarHBondContact O-N 3.46Å | ||
| 25 | I | 49.9 | Very low | 44.8 | Very low | 147 Ų | 147 | 143.8 Ų | 143.8 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | -76.8 | 100 | 168.3 | -57.5 | 171.9 | 0 | 0 | 0 | 106.3 | R23 V27 | R23-I25 PolarHBondContact O-N 3.37Å; R23-I25 VanDerWaalsContact O-N 3.15Å; I25-V27 HydrophobicContact CG2-CG2 3.56Å; I25-V27 PolarHBondContact O-N 2.99Å; I25-V27 VanDerWaalsContact O-N 3.13Å | ||
| 26 | R | 43.3 | Very low | 45.7 | Very low | 229 Ų | 229 | 143.6 Ų | 143.6 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | trans | -74.5 | 93.1 | 165.4 | -82.1 | -168.9 | -170.2 | -149.7 | 2.3 | 108.3 | H24 Q28 | H24-R26 PolarHBondContact O-N 3.46Å; R26-Q28 PolarHBondContact O-N 3.38Å | ||
| 27 | V | 50.4 | Low | 47.1 | Very low | 78 Ų | 78 | 146.9 Ų | 146.9 | 47% | 0.473 | 73% | 0.727 | S | S | . | * | trans | -83.1 | 108.3 | 166.2 | -161.2 | 0 | 0 | 0 | 0 | 107 | I25 W29 | I25-V27 HydrophobicContact CG2-CG2 3.56Å; I25-V27 PolarHBondContact O-N 2.99Å; I25-V27 VanDerWaalsContact O-N 3.13Å; V27-W29 HydrophobicContact CG1-CD2 4.09Å; V27-W29 HydrophobicContact CG1-CE3 4.49Å; V27-W29 HydrophobicContact CG1-CH2 4.35Å; V27-W29 HydrophobicContact CG1-CZ2 3.92Å; V27-W29 PolarHBondContact O-N 2.71Å | ||
| 28 | Q | 47.1 | Very low | 48.5 | Very low | 175 Ų | 175 | 143 Ų | 143 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | trans | -90.2 | 8.3 | -164.9 | -146.9 | 175.3 | -17 | 0 | 0 | 114.3 | R26 | R26-Q28 PolarHBondContact O-N 3.38Š| ||
| 29 | W | 39.8 | Very low | 49.5 | Very low | 198 Ų | 198 | 143 Ų | 143 | 75% | 0.75 | 69% | 0.693 | S | S | * | * | trans | -133.4 | 21 | -166 | 64.5 | 74.3 | 0 | 0 | 0 | 117.4 | V27 | V27-W29 HydrophobicContact CG1-CD2 4.09Å; V27-W29 HydrophobicContact CG1-CE3 4.49Å; V27-W29 HydrophobicContact CG1-CH2 4.35Å; V27-W29 HydrophobicContact CG1-CZ2 3.92Å; V27-W29 PolarHBondContact O-N 2.71Å | ||
| 30 | W | 37.3 | Very low | 50.5 | Low | 201 Ų | 201 | 141.1 Ų | 141.1 | 76% | 0.761 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -101.9 | 128.1 | 166.1 | -67.2 | 92.2 | 0 | 0 | 0 | 109.4 | ||
| 31 | P | 48.1 | Very low | 51.6 | Low | 109 Ų | 109 | 140 Ų | 140 | 71% | 0.708 | 69% | 0.685 | S | S | * | * | trans | -57.6 | 146 | 168.4 | 27.9 | -31.3 | 0 | 0 | 0 | 107.4 | L33 | P31-L33 PolarHBondContact O-N 3.01Š| ||
| 32 | T | 49.8 | Very low | 52.9 | Low | 150 Ų | 150 | 137.5 Ų | 137.5 | 92% | 0.92 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -56.3 | 59.2 | -172.6 | 47.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 33 | L | 53.2 | Low | 54.2 | Low | 147 Ų | 147 | 134.4 Ų | 134.4 | 77% | 0.77 | 66% | 0.657 | S | S | * | * | trans | -80.3 | 111.1 | 150.2 | -151.7 | 77.8 | 0 | 0 | 0 | 103.6 | P31 N35 | P31-L33 PolarHBondContact O-N 3.01Å; L33-N35 PolarHBondContact O-N 2.94Å; L33-N35 VanDerWaalsContact O-N 3.08Å | ||
| 34 | E | 57.9 | Low | 55.3 | Low | 182 Ų | 182 | 130.3 Ų | 130.3 | 85% | 0.85 | 65% | 0.65 | S | S | * | * | trans | -43.4 | 123.9 | 169 | -83 | 161.9 | 149.6 | 0 | 0 | 107.7 | P36 | E34-P36 VanDerWaalsContact O-CD 3.29Å; E34-P36 WeakPolarHBondContact O-CD 3.47Å | ||
| 35 | N | 61.6 | Low | 56.4 | Low | 85 Ų | 85 | 128.7 Ų | 128.7 | 46% | 0.455 | 65% | 0.647 | S | S | . | * | trans | -51 | 115.5 | -176.5 | 162.4 | 33.2 | 0 | 0 | 0 | 107.3 | L33 W37 V38 | L33-N35 PolarHBondContact O-N 2.94Å; L33-N35 VanDerWaalsContact O-N 3.08Å; N35-W37 PolarHBondContact O-N 2.93Å; N35-W37 PolarHBondContact OD1-N 2.64Å; N35-V38 HydrophobicContact CB-CG2 3.7Å; N35-V38 WeakPolarHBondContact O-CB 3.42Å; N35-V38 VanDerWaalsContact O-CG2 3.23Å; N35-V38 WeakPolarHBondContact O-CG2 3.38Å; N35-V38 PolarHBondContact O-N 3.45Å | ||
| 36 | P | 59.6 | Low | 57.2 | Low | 82 Ų | 82 | 124.9 Ų | 124.9 | 53% | 0.532 | 63% | 0.628 | S | S | . | * | G | 310 helix | trans | -62.5 | -18.1 | -171.2 | 22.1 | -31.9 | 0 | 0 | 0 | 111.7 | E34 | E34-P36 VanDerWaalsContact O-CD 3.29Å; E34-P36 WeakPolarHBondContact O-CD 3.47Å |
| 37 | W | 62.9 | Low | 58.2 | Low | 179 Ų | 179 | 117.2 Ų | 117.2 | 68% | 0.678 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -89.1 | 5 | 176.4 | -42 | 105.2 | 0 | 0 | 0 | 114 | N35 E39 D40 | N35-W37 PolarHBondContact O-N 2.93Å; N35-W37 PolarHBondContact OD1-N 2.64Å; W37-E39 PolarHBondContact O-N 3.37Å; W37-D40 PolarHBondContact O-N 2.95Å |
| 38 | V | 65.8 | Low | 59 | Low | 60 Ų | 60 | 120.5 Ų | 120.5 | 36% | 0.364 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -61.7 | -28.8 | 172 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | N35 D40 S41 | N35-V38 HydrophobicContact CB-CG2 3.7Å; N35-V38 WeakPolarHBondContact O-CB 3.42Å; N35-V38 VanDerWaalsContact O-CG2 3.23Å; N35-V38 WeakPolarHBondContact O-CG2 3.38Å; N35-V38 PolarHBondContact O-N 3.45Å; V38-D40 VanDerWaalsContact C-N 3.3Å; V38-D40 PolarHBondContact O-N 2.88Å; V38-S41 PolarHBondContact O-N 2.81Å; V38-S41 VanDerWaalsContact O-N 3.08Å; V38-S41 PolarHBondContact O-OG 3.23Å |
| 39 | E | 60 | Low | 60.1 | Low | 103 Ų | 103 | 119.3 Ų | 119.3 | 48% | 0.481 | 61% | 0.61 | S | S | . | * | G | 310 helix | trans | -60.2 | -39.3 | 178.4 | -51.8 | -163.1 | 143.9 | 0 | 0 | 112.3 | W37 S41 L42 L47 R50 | W37-E39 PolarHBondContact O-N 3.37Å; E39-S41 PolarHBondContact O-N 2.9Å; E39-S41 VanDerWaalsContact O-N 3.12Å; E39-L42 PolarHBondContact O-N 3.07Å; E39-L42 VanDerWaalsContact O-N 3.15Å; E39-L47 HydrophobicContact CB-CD2 4.4Å; E39-R50 IonicContact OE1-NH1 2.72Å; E39-R50 PolarHBondContact OE1-NH1 3.33Å |
| 40 | D | 62.2 | Low | 61.4 | Low | 131 Ų | 131 | 115.8 Ų | 115.8 | 70% | 0.701 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -65.5 | -16.1 | 178 | -65 | -20.4 | 0 | 0 | 0 | 113.2 | W37 V38 | W37-D40 PolarHBondContact O-N 2.95Å; V38-D40 VanDerWaalsContact C-N 3.3Å; V38-D40 PolarHBondContact O-N 2.88Å |
| 41 | S | 64.5 | Low | 63.1 | Low | 94 Ų | 94 | 115.3 Ų | 115.3 | 66% | 0.657 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -96.6 | -6.2 | 179.1 | 70.7 | 0 | 0 | 0 | 0 | 114.3 | V38 E39 | V38-S41 PolarHBondContact O-N 2.81Å; V38-S41 VanDerWaalsContact O-N 3.08Å; V38-S41 PolarHBondContact O-OG 3.23Å; E39-S41 PolarHBondContact O-N 2.9Å; E39-S41 VanDerWaalsContact O-N 3.12Å |
| 42 | L | 65 | Low | 64.6 | Low | 49 Ų | 49 | 115.8 Ų | 115.8 | 26% | 0.257 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -85.3 | 141.5 | 178.8 | -67.7 | 169.3 | 0 | 0 | 0 | 110.7 | E39 D46 L47 | E39-L42 PolarHBondContact O-N 3.07Å; E39-L42 VanDerWaalsContact O-N 3.15Å; L42-D46 HydrophobicContact CB-CB 4.48Å; L42-L47 HydrophobicContact CB-CD2 4.16Å; L42-L47 HydrophobicContact CB-CG 4.32Å; L42-L47 HydrophobicContact CD1-CD2 4.16Å |
| 43 | A | 68.1 | Low | 66.2 | Low | 59 Ų | 59 | 114.9 Ų | 114.9 | 49% | 0.488 | 60% | 0.597 | S | S | . | * | trans | -64.4 | 144.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | N45 D46 L47 | A43-N45 PolarHBondContact O-N 3.28Å; A43-D46 PolarHBondContact O-N 3.11Å; A43-L47 PolarHBondContact O-N 2.63Å | ||
| 44 | D | 68.4 | Low | 67.9 | Low | 127 Ų | 127 | 115.6 Ų | 115.6 | 68% | 0.679 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -48.4 | -36.1 | -177.8 | -64.5 | -24 | 0 | 0 | 0 | 113.4 | D46 L47 L48 | D44-D46 VanDerWaalsContact C-N 3.25Å; D44-D46 PolarHBondContact O-N 2.53Å; D44-L47 PolarHBondContact O-N 2.94Å; D44-L48 WeakPolarHBondContact O-CG 2.97Å; D44-L48 PolarHBondContact O-N 3Å; D44-L48 VanDerWaalsContact O-N 3.17Å |
| 45 | N | 69.9 | Low | 69.5 | Low | 117 Ų | 117 | 116 Ų | 116 | 63% | 0.626 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.7 | -28.7 | 177.5 | -69.6 | -29.6 | 0 | 0 | 0 | 114 | A43 K49 | A43-N45 PolarHBondContact O-N 3.28Å; N45-K49 WeakPolarHBondContact O-CE 3.37Å; N45-K49 WeakPolarHBondContact O-CG 3.46Å |
| 46 | D | 66.9 | Low | 70.9 | Confident | 68 Ų | 68 | 121.2 Ų | 121.2 | 36% | 0.364 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -86.5 | -29.6 | 179.3 | -69 | -26.4 | 0 | 0 | 0 | 112 | L42 A43 D44 K49 | L42-D46 HydrophobicContact CB-CB 4.48Å; A43-D46 PolarHBondContact O-N 3.11Å; D44-D46 VanDerWaalsContact C-N 3.25Å; D44-D46 PolarHBondContact O-N 2.53Å; D46-K49 PolarHBondContact O-N 2.8Å; D46-K49 IonicContact OD1-NZ 3.03Å; D46-K49 PolarHBondContact OD1-NZ 3.39Å |
| 47 | L | 64.7 | Low | 72.5 | Confident | 68 Ų | 68 | 124.1 Ų | 124.1 | 36% | 0.356 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -63.3 | -43 | 170.5 | -64.8 | 176.5 | 0 | 0 | 0 | 111 | E39 L42 A43 D44 K49 R50 | E39-L47 HydrophobicContact CB-CD2 4.4Å; L42-L47 HydrophobicContact CB-CD2 4.16Å; L42-L47 HydrophobicContact CB-CG 4.32Å; L42-L47 HydrophobicContact CD1-CD2 4.16Å; A43-L47 PolarHBondContact O-N 2.63Å; D44-L47 PolarHBondContact O-N 2.94Å; L47-K49 PolarHBondContact O-N 2.68Å; L47-R50 PolarHBondContact O-N 3.11Å |
| 48 | L | 66.4 | Low | 73.8 | Confident | 146 Ų | 146 | 119.4 Ų | 119.4 | 76% | 0.764 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -19.9 | 178.7 | -67.1 | 174.3 | 0 | 0 | 0 | 114.1 | D44 | D44-L48 WeakPolarHBondContact O-CG 2.97Å; D44-L48 PolarHBondContact O-N 3Å; D44-L48 VanDerWaalsContact O-N 3.17Å |
| 49 | K | 70.2 | Confident | 75.1 | Confident | 151 Ų | 151 | 124.8 Ų | 124.8 | 66% | 0.657 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -17.2 | 177.5 | -70.3 | 170.3 | -163.7 | 159.2 | 0 | 113.1 | N45 D46 L47 K51 | N45-K49 WeakPolarHBondContact O-CE 3.37Å; N45-K49 WeakPolarHBondContact O-CG 3.46Å; D46-K49 PolarHBondContact O-N 2.8Å; D46-K49 IonicContact OD1-NZ 3.03Å; D46-K49 PolarHBondContact OD1-NZ 3.39Å; L47-K49 PolarHBondContact O-N 2.68Å; K49-K51 PolarHBondContact O-N 2.74Å |
| 50 | R | 66.3 | Low | 76.7 | Confident | 124 Ų | 124 | 123.7 Ų | 123.7 | 47% | 0.468 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -73 | 131 | -178.5 | -69.9 | -178.6 | 171.8 | -167.6 | -7.2 | 109.5 | E39 L47 | E39-R50 IonicContact OE1-NH1 2.72Å; E39-R50 PolarHBondContact OE1-NH1 3.33Å; L47-R50 PolarHBondContact O-N 3.11Å |
| 51 | K | 74.4 | Confident | 78.2 | Confident | 190 Ų | 190 | 124.2 Ų | 124.2 | 83% | 0.826 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 130.5 | 167.4 | -68.3 | -177.5 | 178.1 | -178.9 | 0 | 107.4 | K49 V53 | K49-K51 PolarHBondContact O-N 2.74Å; K51-V53 PolarHBondContact O-N 2.83Å |
| 52 | P | 78.4 | Confident | 79.6 | Confident | 119 Ų | 119 | 125.8 Ų | 125.8 | 77% | 0.773 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 140.1 | 173.3 | 24.8 | -32.4 | 0 | 0 | 0 | 109.1 | ||
| 53 | V | 84.7 | Confident | 81 | Confident | 132 Ų | 132 | 126.9 Ų | 126.9 | 80% | 0.8 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 133 | 173.4 | -178.8 | 0 | 0 | 0 | 0 | 107.8 | K51 | K51-V53 PolarHBondContact O-N 2.83Š|
| 54 | D | 88.2 | Confident | 82.3 | Confident | 161 Ų | 161 | 132 Ų | 132 | 86% | 0.861 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 138.7 | 174.4 | -63 | -36.2 | 0 | 0 | 0 | 109.6 | ||
| 55 | Y | 90.4 | Very high | 83.5 | Confident | 191 Ų | 191 | 129 Ų | 129 | 75% | 0.749 | 64% | 0.644 | S | S | * | * | trans | -131 | 149.6 | -179 | 64.5 | -90.5 | 0 | 0 | 0 | 110.9 | I57 | Y55-I57 HydrophobicContact CD2-CG1 3.97Å; Y55-I57 HydrophobicContact CE2-CD1 3.98Å; Y55-I57 HydrophobicContact CE2-CG1 3.82Å | ||
| 56 | E | 91.7 | Very high | 84.7 | Confident | 194 Ų | 194 | 128.7 Ų | 128.7 | 91% | 0.907 | 64% | 0.639 | S | S | * | * | trans | -111.5 | 136.3 | 172.5 | -64.5 | -175.9 | 177 | 0 | 0 | 109.3 | ||||
| 57 | I | 92.7 | Very high | 86 | Confident | 144 Ų | 144 | 132 Ų | 132 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | trans | -97 | 112.5 | 176.5 | -56.6 | 175.6 | 0 | 0 | 0 | 108.2 | Y55 | Y55-I57 HydrophobicContact CD2-CG1 3.97Å; Y55-I57 HydrophobicContact CE2-CD1 3.98Å; Y55-I57 HydrophobicContact CE2-CG1 3.82Å | ||
| 58 | S | 91.9 | Very high | 87.4 | Confident | 79 Ų | 79 | 135.5 Ų | 135.5 | 55% | 0.552 | 67% | 0.668 | S | S | * | * | trans | -111.6 | 139.6 | 172.4 | -179 | 0 | 0 | 0 | 0 | 111.2 | A60 | S58-A60 PolarHBondContact OG-N 2.92Š| ||
| 59 | Q | 92.6 | Very high | 88.7 | Confident | 174 Ų | 174 | 134 Ų | 134 | 81% | 0.813 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -97.8 | -15.3 | 174.5 | -66.4 | -177.9 | -14.9 | 0 | 0 | 112.8 | E61 Y62 | Q59-E61 VanDerWaalsContact C-N 3.26Å; Q59-E61 PolarHBondContact O-N 2.84Å; Q59-Y62 VanDerWaalsContact O-CB 3.31Å; Q59-Y62 WeakPolarHBondContact O-CB 3.46Å; Q59-Y62 PolarHBondContact O-N 2.83Å; Q59-Y62 VanDerWaalsContact O-N 3.16Å |
| 60 | A | 93.6 | Very high | 89.9 | Confident | 79 Ų | 79 | 135.9 Ų | 135.9 | 65% | 0.653 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -32.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S58 Y62 | S58-A60 PolarHBondContact OG-N 2.92Å; A60-Y62 VanDerWaalsContact C-N 3.34Å |
| 61 | E | 93.1 | Very high | 91.1 | Very high | 142 Ų | 142 | 135.8 Ų | 135.8 | 66% | 0.664 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -7.9 | -177.7 | -63.1 | 177.5 | 179.9 | 0 | 0 | 113.1 | Q59 V63 W64 | Q59-E61 VanDerWaalsContact C-N 3.26Å; Q59-E61 PolarHBondContact O-N 2.84Å; E61-V63 PolarHBondContact O-N 2.88Å; E61-V63 VanDerWaalsContact O-N 3.13Å; E61-W64 VanDerWaalsContact O-CD1 3.29Å; E61-W64 PolarHBondContact O-N 3.35Å; E61-W64 VanDerWaalsContact O-N 3.08Å |
| 62 | Y | 94.1 | Very high | 92 | Very high | 127 Ų | 127 | 132.9 Ų | 132.9 | 50% | 0.498 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -64.8 | -20.4 | -177.4 | -162.3 | -97.3 | 0 | 0 | 0 | 113 | Q59 A60 W64 V65 E66 | Q59-Y62 VanDerWaalsContact O-CB 3.31Å; Q59-Y62 WeakPolarHBondContact O-CB 3.46Å; Q59-Y62 PolarHBondContact O-N 2.83Å; Q59-Y62 VanDerWaalsContact O-N 3.16Å; A60-Y62 VanDerWaalsContact C-N 3.34Å; Y62-W64 PolarHBondContact O-N 2.85Å; Y62-W64 VanDerWaalsContact O-N 3.12Å; Y62-V65 HydrophobicContact CD2-CB 4.08Å; Y62-V65 HydrophobicContact CD2-CG1 4.49Å; Y62-V65 HydrophobicContact CD2-CG2 4.01Å; Y62-V65 HydrophobicContact CE2-CB 4.04Å; Y62-V65 HydrophobicContact CE2-CG1 3.95Å; Y62-V65 HydrophobicContact CE2-CG2 4.23Å; Y62-V65 HydrophobicContact CG-CB 4.36Å; Y62-V65 WeakPolarHBondContact O-CA 3.43Å; Y62-V65 VanDerWaalsContact O-CB 3.31Å; Y62-V65 WeakPolarHBondContact O-CB 3.42Å; Y62-V65 PolarHBondContact O-N 3.28Å; Y62-E66 HydrophobicContact CD1-CG 3.94Å; Y62-E66 HydrophobicContact CE1-CG 4.02Å; Y62-E66 PolarHBondContact O-N 3.26Å |
| 63 | V | 95.4 | Very high | 92.7 | Very high | 72 Ų | 72 | 135 Ų | 135 | 44% | 0.436 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -54 | -31.4 | 172.4 | -179.1 | 0 | 0 | 0 | 0 | 112 | E61 K67 | E61-V63 PolarHBondContact O-N 2.88Å; E61-V63 VanDerWaalsContact O-N 3.13Å; V63-K67 WeakPolarHBondContact O-CG 3.24Å; V63-K67 PolarHBondContact O-N 2.83Å |
| 64 | W | 94.7 | Very high | 93.1 | Very high | 168 Ų | 168 | 132.8 Ų | 132.8 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -74 | -33.3 | 176.4 | -59.8 | 111.5 | 0 | 0 | 0 | 112.4 | E61 Y62 K67 I68 | E61-W64 VanDerWaalsContact O-CD1 3.29Å; E61-W64 PolarHBondContact O-N 3.35Å; E61-W64 VanDerWaalsContact O-N 3.08Å; Y62-W64 PolarHBondContact O-N 2.85Å; Y62-W64 VanDerWaalsContact O-N 3.12Å; W64-K67 HydrophobicContact CE3-CD 3.98Å; W64-K67 HydrophobicContact CZ3-CD 4.2Å; W64-I68 WeakPolarHBondContact O-CD1 3.31Å; W64-I68 WeakPolarHBondContact O-CG1 3.06Å |
| 65 | V | 93.9 | Very high | 93.4 | Very high | 63 Ų | 63 | 129.8 Ų | 129.8 | 38% | 0.382 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -65.9 | -43.6 | 173.2 | -177 | 0 | 0 | 0 | 0 | 109.8 | Y62 K67 I68 L69 | Y62-V65 HydrophobicContact CD2-CB 4.08Å; Y62-V65 HydrophobicContact CD2-CG1 4.49Å; Y62-V65 HydrophobicContact CD2-CG2 4.01Å; Y62-V65 HydrophobicContact CE2-CB 4.04Å; Y62-V65 HydrophobicContact CE2-CG1 3.95Å; Y62-V65 HydrophobicContact CE2-CG2 4.23Å; Y62-V65 HydrophobicContact CG-CB 4.36Å; Y62-V65 WeakPolarHBondContact O-CA 3.43Å; Y62-V65 VanDerWaalsContact O-CB 3.31Å; Y62-V65 WeakPolarHBondContact O-CB 3.42Å; Y62-V65 PolarHBondContact O-N 3.28Å; V65-K67 VanDerWaalsContact C-N 3.3Å; V65-K67 PolarHBondContact O-N 2.98Å; V65-I68 WeakPolarHBondContact O-CB 3.28Å; V65-I68 PolarHBondContact O-N 2.86Å; V65-L69 PolarHBondContact O-N 3.15Å |
| 66 | E | 94.3 | Very high | 93.4 | Very high | 111 Ų | 111 | 127.4 Ų | 127.4 | 52% | 0.519 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -57.2 | -40.3 | 178.5 | -68.1 | -179 | 172.8 | 0 | 0 | 112.9 | Y62 I68 L69 | Y62-E66 HydrophobicContact CD1-CG 3.94Å; Y62-E66 HydrophobicContact CE1-CG 4.02Å; Y62-E66 PolarHBondContact O-N 3.26Å; E66-I68 PolarHBondContact O-N 2.87Å; E66-L69 WeakPolarHBondContact O-CB 3.49Å; E66-L69 PolarHBondContact O-N 3.2Å |
| 67 | K | 93.8 | Very high | 93.3 | Very high | 136 Ų | 136 | 119.8 Ų | 119.8 | 59% | 0.591 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.6 | -25.1 | 177.7 | -70.1 | 173.7 | -174.5 | 173.3 | 0 | 113.6 | V63 W64 V65 | V63-K67 WeakPolarHBondContact O-CG 3.24Å; V63-K67 PolarHBondContact O-N 2.83Å; W64-K67 HydrophobicContact CE3-CD 3.98Å; W64-K67 HydrophobicContact CZ3-CD 4.2Å; V65-K67 VanDerWaalsContact C-N 3.3Å; V65-K67 PolarHBondContact O-N 2.98Å |
| 68 | I | 95 | Very high | 93 | Very high | 143 Ų | 143 | 119.6 Ų | 119.6 | 73% | 0.733 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -83.6 | -21.4 | 179.3 | -62.4 | 165.5 | 0 | 0 | 0 | 110.7 | W64 V65 E66 K70 | W64-I68 WeakPolarHBondContact O-CD1 3.31Å; W64-I68 WeakPolarHBondContact O-CG1 3.06Å; V65-I68 WeakPolarHBondContact O-CB 3.28Å; V65-I68 PolarHBondContact O-N 2.86Å; E66-I68 PolarHBondContact O-N 2.87Å; I68-K70 PolarHBondContact O-N 3.23Å |
| 69 | L | 94.5 | Very high | 92.4 | Very high | 114 Ų | 114 | 123.5 Ų | 123.5 | 60% | 0.597 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -61.9 | 130.9 | 178.6 | -60.5 | 179.7 | 0 | 0 | 0 | 110.7 | V65 E66 | V65-L69 PolarHBondContact O-N 3.15Å; E66-L69 WeakPolarHBondContact O-CB 3.49Å; E66-L69 PolarHBondContact O-N 3.2Å |
| 70 | K | 94.5 | Very high | 92 | Very high | 190 Ų | 190 | 118.4 Ų | 118.4 | 83% | 0.826 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 137.1 | 177.9 | 66.8 | -172.5 | 179.8 | -175.1 | 0 | 110.9 | I68 | I68-K70 PolarHBondContact O-N 3.23Š|
| 71 | N | 91.4 | Very high | 91.4 | Very high | 123 Ų | 123 | 120.9 Ų | 120.9 | 66% | 0.658 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 128.3 | 168.7 | -165.9 | -7.6 | 0 | 0 | 0 | 109.9 | K73 | N71-K73 VanDerWaalsContact CG-O 3.31Å; N71-K73 PolarHBondContact ND2-O 3.41Å; N71-K73 PolarHBondContact OD1-N 3.17Å; N71-K73 VanDerWaalsContact OD1-N 3.09Å; N71-K73 PolarHBondContact OD1-O 3.2Å |
| 72 | T | 93.1 | Very high | 90.8 | Very high | 129 Ų | 129 | 116.6 Ų | 116.6 | 79% | 0.791 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -77.9 | -26.4 | 176.7 | 45.2 | 0 | 0 | 0 | 0 | 113 | ||
| 73 | K | 93.5 | Very high | 90.4 | Very high | 164 Ų | 164 | 115.2 Ų | 115.2 | 71% | 0.713 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -99.1 | 136 | -178.7 | -66.1 | -177.2 | -179 | 178.3 | 0 | 109.8 | N71 | N71-K73 VanDerWaalsContact CG-O 3.31Å; N71-K73 PolarHBondContact ND2-O 3.41Å; N71-K73 PolarHBondContact OD1-N 3.17Å; N71-K73 VanDerWaalsContact OD1-N 3.09Å; N71-K73 PolarHBondContact OD1-O 3.2Å |
| 74 | I | 93.6 | Very high | 90.2 | Very high | 85 Ų | 85 | 113 Ų | 113 | 44% | 0.436 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -71 | 127.3 | 173.9 | -59.8 | 169.2 | 0 | 0 | 0 | 107.6 | K107 | I74-K107 HydrophobicContact CD1-CB 3.9Å; I74-K107 HydrophobicContact CD1-CD 3.88Å; I74-K107 HydrophobicContact CD1-CG 3.89Å |
| 75 | P | 93.4 | Very high | 90.1 | Very high | 97 Ų | 97 | 112.1 Ų | 112.1 | 63% | 0.63 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 146.8 | -179.8 | 27.3 | -34.4 | 0 | 0 | 0 | 111.1 | H109 | P75-H109 PolarHBondContact O-NE2 3.19Š|
| 76 | F | 90.8 | Very high | 90 | Very high | 141 Ų | 141 | 114.1 Ų | 114.1 | 62% | 0.618 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 134.7 | 173 | -172 | -99 | 0 | 0 | 0 | 109.8 | E78 H109 | F76-E78 HydrophobicContact CD1-CG 3.71Å; F76-E78 HydrophobicContact CE1-CG 4.44Å; F76-E78 PolarHBondContact O-N 3.13Å; F76-H109 AromaticContact CD2-CE1 3.64Å |
| 77 | P | 89.8 | Confident | 89.9 | Confident | 35 Ų | 35 | 111.1 Ų | 111.1 | 23% | 0.227 | 61% | 0.614 | C | S | . | * | trans | -73.8 | 90.3 | 176.9 | 27.1 | -32.9 | 0 | 0 | 0 | 110.5 | I80 W88 H109 | P77-I80 HydrophobicContact CB-CD1 3.38Å; P77-I80 HydrophobicContact CB-CG1 4.16Å; P77-W88 HydrophobicContact CB-CH2 3.78Å; P77-W88 HydrophobicContact CB-CZ2 4.25Å; P77-W88 HydrophobicContact CB-CZ3 4.25Å; P77-W88 HydrophobicContact CG-CH2 3.54Å; P77-W88 HydrophobicContact CG-CZ2 3.66Å; P77-W88 HydrophobicContact CG-CZ3 4.46Å; P77-H109 WeakPolarHBondContact CD-CD2 3.49Å; P77-H109 WeakPolarHBondContact CD-NE2 3.46Å; P77-H109 HydrophobicContact CG-CB 4.2Å | ||
| 78 | E | 85.7 | Confident | 89.9 | Confident | 140 Ų | 140 | 106.4 Ų | 106.4 | 65% | 0.654 | 59% | 0.593 | S | S | * | * | trans | -84.9 | 144.5 | 174.8 | -63.4 | 179.2 | -172.5 | 0 | 0 | 111.2 | F76 I80 | F76-E78 HydrophobicContact CD1-CG 3.71Å; F76-E78 HydrophobicContact CE1-CG 4.44Å; F76-E78 PolarHBondContact O-N 3.13Å; E78-I80 PolarHBondContact O-N 2.85Å | ||
| 79 | N | 80.8 | Confident | 89.8 | Confident | 161 Ų | 161 | 102.7 Ų | 102.7 | 86% | 0.861 | 57% | 0.574 | S | S | * | * | S | Bend | trans | 58.7 | 39.8 | 168.2 | -54.7 | -38 | 0 | 0 | 0 | 116.3 | ||
| 80 | I | 82.2 | Confident | 89.7 | Confident | 67 Ų | 67 | 99.5 Ų | 99.5 | 34% | 0.344 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -90.5 | 124.4 | -179.3 | -58.5 | -163.8 | 0 | 0 | 0 | 111.5 | P77 E78 A82 T84 W88 | P77-I80 HydrophobicContact CB-CD1 3.38Å; P77-I80 HydrophobicContact CB-CG1 4.16Å; E78-I80 PolarHBondContact O-N 2.85Å; I80-A82 PolarHBondContact O-N 3.24Å; I80-T84 HydrophobicContact CG2-CG2 3.17Å; I80-W88 HydrophobicContact CB-CZ3 4Å; I80-W88 HydrophobicContact CD1-CE3 4.08Å; I80-W88 HydrophobicContact CD1-CH2 4.38Å; I80-W88 HydrophobicContact CD1-CZ3 3.68Å; I80-W88 HydrophobicContact CG1-CZ3 4.27Å; I80-W88 HydrophobicContact CG2-CE3 4.15Å; I80-W88 HydrophobicContact CG2-CZ3 3.95Å |
| 81 | V | 81.5 | Confident | 89.6 | Confident | 130 Ų | 130 | 93.6 Ų | 93.6 | 79% | 0.788 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -75.1 | 120.6 | 166.8 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | ||
| 82 | A | 82 | Confident | 89.7 | Confident | 52 Ų | 52 | 90.6 Ų | 90.6 | 43% | 0.43 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -90.9 | 147 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I80 P90 | I80-A82 PolarHBondContact O-N 3.24Å; A82-P90 HydrophobicContact CB-CG 4.14Å |
| 83 | P | 84.9 | Confident | 89.5 | Confident | 99 Ų | 99 | 88.4 Ų | 88.4 | 64% | 0.643 | 51% | 0.513 | S | S | * | . | S | Bend | cis | -78.1 | 148.4 | -11.8 | 32.2 | -33.2 | 0 | 0 | 0 | 112.2 | I89 | P83-I89 HydrophobicContact CB-CG1 4.17Š|
| 84 | T | 90.6 | Very high | 89.4 | Confident | 24 Ų | 24 | 87.2 Ų | 87.2 | 15% | 0.147 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 162.4 | 172.6 | 54.3 | 0 | 0 | 0 | 0 | 111.9 | I80 S86 G87 W88 | I80-T84 HydrophobicContact CG2-CG2 3.17Å; T84-S86 PolarHBondContact O-N 2.98Å; T84-S86 VanDerWaalsContact O-N 3.13Å; T84-S86 PolarHBondContact OG1-OG 2.84Å; T84-S86 VanDerWaalsContact OG1-OG 3.11Å; T84-G87 WeakPolarHBondContact O-CA 3.43Å; T84-G87 PolarHBondContact O-N 2.92Å; T84-W88 HydrophobicContact CG2-CE3 4.25Å; T84-W88 PolarHBondContact N-O 3.35Å; T84-W88 WeakPolarHBondContact OG1-CA 3.46Å; T84-W88 VanDerWaalsContact OG1-CB 3.3Å; T84-W88 WeakPolarHBondContact OG1-CB 3.48Å; T84-W88 PolarHBondContact OG1-N 2.93Å; T84-W88 PolarHBondContact OG1-O 3.29Å |
| 85 | P | 93.5 | Very high | 89.2 | Confident | 150 Ų | 150 | 87.1 Ų | 87.1 | 97% | 0.974 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -26.1 | 175.2 | -26.4 | 35.2 | 0 | 0 | 0 | 114.5 | G87 | P85-G87 VanDerWaalsContact C-N 3.26Š|
| 86 | S | 91.3 | Very high | 88.9 | Confident | 105 Ų | 105 | 84 Ų | 84 | 73% | 0.734 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -3.8 | 173.9 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | T84 W88 | T84-S86 PolarHBondContact O-N 2.98Å; T84-S86 VanDerWaalsContact O-N 3.13Å; T84-S86 PolarHBondContact OG1-OG 2.84Å; T84-S86 VanDerWaalsContact OG1-OG 3.11Å; S86-W88 VanDerWaalsContact C-N 3.33Å |
| 87 | G | 91.6 | Very high | 88.9 | Confident | 49 Ų | 49 | 84.9 Ų | 84.9 | 51% | 0.505 | 49% | 0.494 | S | S | . | . | trans | 80.3 | 8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T84 P85 | T84-G87 WeakPolarHBondContact O-CA 3.43Å; T84-G87 PolarHBondContact O-N 2.92Å; P85-G87 VanDerWaalsContact C-N 3.26Å | ||
| 88 | W | 93.7 | Very high | 88.9 | Confident | 36 Ų | 36 | 90.1 Ų | 90.1 | 14% | 0.136 | 52% | 0.52 | C | S | . | . | trans | -71 | 134.6 | 175.1 | -176.6 | 88.4 | 0 | 0 | 0 | 111.2 | P77 I80 T84 S86 P90 H109 | P77-W88 HydrophobicContact CB-CH2 3.78Å; P77-W88 HydrophobicContact CB-CZ2 4.25Å; P77-W88 HydrophobicContact CB-CZ3 4.25Å; P77-W88 HydrophobicContact CG-CH2 3.54Å; P77-W88 HydrophobicContact CG-CZ2 3.66Å; P77-W88 HydrophobicContact CG-CZ3 4.46Å; I80-W88 HydrophobicContact CB-CZ3 4Å; I80-W88 HydrophobicContact CD1-CE3 4.08Å; I80-W88 HydrophobicContact CD1-CH2 4.38Å; I80-W88 HydrophobicContact CD1-CZ3 3.68Å; I80-W88 HydrophobicContact CG1-CZ3 4.27Å; I80-W88 HydrophobicContact CG2-CE3 4.15Å; I80-W88 HydrophobicContact CG2-CZ3 3.95Å; T84-W88 HydrophobicContact CG2-CE3 4.25Å; T84-W88 PolarHBondContact N-O 3.35Å; T84-W88 WeakPolarHBondContact OG1-CA 3.46Å; T84-W88 VanDerWaalsContact OG1-CB 3.3Å; T84-W88 WeakPolarHBondContact OG1-CB 3.48Å; T84-W88 PolarHBondContact OG1-N 2.93Å; T84-W88 PolarHBondContact OG1-O 3.29Å; S86-W88 VanDerWaalsContact C-N 3.33Å; W88-P90 HydrophobicContact CH2-CB 3.65Å; W88-P90 HydrophobicContact CZ2-CB 4.46Å; W88-P90 HydrophobicContact CZ3-CB 3.83Å; W88-P90 HydrophobicContact CZ3-CG 4.25Å; W88-H109 HydrophobicContact CZ2-CB 4.09Å; W88-H109 PolarHBondContact NE1-O 2.97Å | ||
| 89 | I | 93.1 | Very high | 89.3 | Confident | 66 Ų | 66 | 84.5 Ų | 84.5 | 34% | 0.338 | 50% | 0.495 | S | S | . | . | trans | -125.2 | 129 | -180 | -63 | 164.4 | 0 | 0 | 0 | 108.2 | P83 R105 L188 | P83-I89 HydrophobicContact CB-CG1 4.17Å; I89-R105 PolarHBondContact O-NH1 3.48Å; I89-R105 PolarHBondContact O-NH2 3.17Å; I89-L188 HydrophobicContact CB-CD2 4.2Å; I89-L188 HydrophobicContact CD1-CD1 4.21Å | ||
| 90 | P | 92.8 | Very high | 89.9 | Confident | 46 Ų | 46 | 80.9 Ų | 80.9 | 30% | 0.299 | 48% | 0.481 | S | S | . | . | trans | -67.6 | 151.3 | 175.9 | 28.6 | -33.5 | 0 | 0 | 0 | 111.3 | A82 W88 | A82-P90 HydrophobicContact CB-CG 4.14Å; W88-P90 HydrophobicContact CH2-CB 3.65Å; W88-P90 HydrophobicContact CZ2-CB 4.46Å; W88-P90 HydrophobicContact CZ3-CB 3.83Å; W88-P90 HydrophobicContact CZ3-CG 4.25Å | ||
| 91 | P | 93 | Very high | 90.6 | Very high | 67 Ų | 67 | 78 Ų | 78 | 44% | 0.435 | 47% | 0.465 | S | S | . | . | trans | -63.3 | 141.2 | 173.1 | 28.4 | -34.1 | 0 | 0 | 0 | 110.4 | G191 | P91-G191 CarbonylContact C-O 3.57Å; P91-G191 WeakPolarHBondContact CA-O 3.25Å | ||
| 92 | N | 91.7 | Very high | 91.2 | Very high | 59 Ų | 59 | 74.4 Ų | 74.4 | 32% | 0.316 | 45% | 0.446 | S | S | . | . | trans | -106 | 104.1 | 175.9 | -173.8 | -10.8 | 0 | 0 | 0 | 109.7 | E94 L95 S96 G191 | N92-E94 PolarHBondContact O-N 3.19Å; N92-E94 WeakPolarHBondContact OD1-CB 3.39Å; N92-E94 PolarHBondContact OD1-N 3.47Å; N92-L95 HydrophobicContact CB-CD1 4.22Å; N92-L95 HydrophobicContact CB-CG 4.38Å; N92-L95 PolarHBondContact O-N 2.89Å; N92-S96 PolarHBondContact O-N 3.45Å; N92-G191 PolarHBondContact N-O 3.26Å | ||
| 93 | P | 89.9 | Confident | 91.9 | Very high | 83 Ų | 83 | 72.1 Ų | 72.1 | 54% | 0.539 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.1 | -21.2 | -176.8 | 28.2 | -35 | 0 | 0 | 0 | 113 | S96 K97 | P93-S96 WeakPolarHBondContact CA-OG 3.01Å; P93-S96 PolarHBondContact O-OG 2.79Å; P93-K97 VanDerWaalsContact O-CG 3.32Å; P93-K97 WeakPolarHBondContact O-CG 3.48Å |
| 94 | E | 90.7 | Very high | 92.4 | Very high | 140 Ų | 140 | 73 Ų | 73 | 65% | 0.654 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -69.3 | -46.7 | 179.3 | -60.7 | -174.7 | 161.3 | 0 | 0 | 111.6 | N92 S96 K97 | N92-E94 PolarHBondContact O-N 3.19Å; N92-E94 WeakPolarHBondContact OD1-CB 3.39Å; N92-E94 PolarHBondContact OD1-N 3.47Å; E94-S96 PolarHBondContact O-N 3.29Å; E94-K97 PolarHBondContact O-N 3.44Å |
| 95 | L | 89.9 | Confident | 92.6 | Very high | 83 Ų | 83 | 73.1 Ų | 73.1 | 44% | 0.435 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.1 | -34.2 | -180 | -62.1 | 177.3 | 0 | 0 | 0 | 112.6 | N92 K97 K190 | N92-L95 HydrophobicContact CB-CD1 4.22Å; N92-L95 HydrophobicContact CB-CG 4.38Å; N92-L95 PolarHBondContact O-N 2.89Å; L95-K97 PolarHBondContact O-N 2.98Å; L95-K190 CarbonylContact C-O 3.6Å; L95-K190 WeakPolarHBondContact CB-O 3.31Å |
| 96 | S | 88.2 | Confident | 92.7 | Very high | 32 Ų | 32 | 66.7 Ų | 66.7 | 22% | 0.224 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71.1 | -14.9 | -177.5 | 68.2 | 0 | 0 | 0 | 0 | 114.4 | N92 P93 E94 D98 K190 | N92-S96 PolarHBondContact O-N 3.45Å; P93-S96 WeakPolarHBondContact CA-OG 3.01Å; P93-S96 PolarHBondContact O-OG 2.79Å; E94-S96 PolarHBondContact O-N 3.29Å; S96-D98 VanDerWaalsContact C-N 3.33Å; S96-D98 PolarHBondContact O-N 3.31Å; S96-K190 PolarHBondContact N-O 2.85Å |
| 97 | K | 90.2 | Very high | 92.9 | Very high | 158 Ų | 158 | 69 Ų | 69 | 69% | 0.687 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -27.7 | -176.2 | -79.2 | 166.1 | -173.5 | 179.1 | 0 | 113.5 | P93 E94 L95 V99 | P93-K97 VanDerWaalsContact O-CG 3.32Å; P93-K97 WeakPolarHBondContact O-CG 3.48Å; E94-K97 PolarHBondContact O-N 3.44Å; L95-K97 PolarHBondContact O-N 2.98Å; K97-V99 PolarHBondContact O-N 3.29Å |
| 98 | D | 90 | Very high | 93 | Very high | 145 Ų | 145 | 71.1 Ų | 71.1 | 78% | 0.775 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -7.2 | -172.9 | -62.7 | -25.1 | 0 | 0 | 0 | 113 | S96 | S96-D98 VanDerWaalsContact C-N 3.33Å; S96-D98 PolarHBondContact O-N 3.31Å |
| 99 | V | 92.7 | Very high | 93 | Very high | 23 Ų | 23 | 71.5 Ų | 71.5 | 14% | 0.139 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -109.6 | 137.3 | -169.2 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | K97 Y101 K190 F192 | K97-V99 PolarHBondContact O-N 3.29Å; V99-Y101 HydrophobicContact CG1-CD1 3.55Å; V99-Y101 HydrophobicContact CG1-CD2 3.69Å; V99-Y101 HydrophobicContact CG1-CE1 3.25Å; V99-Y101 HydrophobicContact CG1-CE2 3.43Å; V99-Y101 VanDerWaalsContact CG1-CE2 3.43Å; V99-Y101 HydrophobicContact CG1-CG 3.76Å; V99-Y101 PolarHBondContact O-N 2.92Å; V99-Y101 VanDerWaalsContact O-N 3.12Å; V99-K190 HydrophobicContact CG2-CD 4.14Å; V99-F192 HydrophobicContact CB-CZ 4.3Å; V99-F192 HydrophobicContact CG1-CZ 4.27Å |
| 100 | P | 94.9 | Very high | 93.1 | Very high | 85 Ų | 85 | 73.2 Ų | 73.2 | 55% | 0.552 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -75.1 | 1.8 | -176.2 | 31.2 | -37 | 0 | 0 | 0 | 114.6 | D141 A144 | P100-D141 HydrophobicContact CB-CB 4.23Å; P100-D141 PolarHBondContact O-N 2.86Å; P100-A144 HydrophobicContact CG-CB 3.77Å |
| 101 | Y | 95.6 | Very high | 93.2 | Very high | 5 Ų | 5 | 72.3 Ų | 72.3 | 2% | 0.02 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 157.2 | 179.7 | 55.6 | -100 | 0 | 0 | 0 | 110.4 | V99 D139 D141 A144 L145 D148 F192 | V99-Y101 HydrophobicContact CG1-CD1 3.55Å; V99-Y101 HydrophobicContact CG1-CD2 3.69Å; V99-Y101 HydrophobicContact CG1-CE1 3.25Å; V99-Y101 HydrophobicContact CG1-CE2 3.43Å; V99-Y101 VanDerWaalsContact CG1-CE2 3.43Å; V99-Y101 HydrophobicContact CG1-CG 3.76Å; V99-Y101 PolarHBondContact O-N 2.92Å; V99-Y101 VanDerWaalsContact O-N 3.12Å; Y101-D139 CarbonylContact C-O 3.57Å; Y101-D139 WeakPolarHBondContact CA-O 3.31Å; Y101-D141 WeakPolarHBondContact CB-O 3.31Å; Y101-A144 HydrophobicContact CD1-CB 3.87Å; Y101-A144 HydrophobicContact CE1-CB 4.19Å; Y101-L145 HydrophobicContact CD1-CB 3.79Å; Y101-L145 HydrophobicContact CD1-CG 4.47Å; Y101-L145 HydrophobicContact CD2-CB 3.94Å; Y101-L145 HydrophobicContact CD2-CD1 3.55Å; Y101-L145 HydrophobicContact CD2-CG 3.8Å; Y101-L145 VanDerWaalsContact CE1-CA 3.49Å; Y101-L145 HydrophobicContact CE1-CB 3.92Å; Y101-L145 HydrophobicContact CE1-CG 4.36Å; Y101-L145 HydrophobicContact CE2-CB 4.03Å; Y101-L145 HydrophobicContact CE2-CD1 3.75Å; Y101-L145 HydrophobicContact CE2-CG 3.63Å; Y101-L145 HydrophobicContact CG-CB 3.81Å; Y101-L145 HydrophobicContact CG-CD1 4.16Å; Y101-L145 HydrophobicContact CG-CG 4.22Å; Y101-D148 PolarHBondContact OH-OD2 3.31Å; Y101-F192 HydrophobicContact CD2-CE2 4.06Å; Y101-F192 AromaticContact CD2-CZ 3.95Å; Y101-F192 HydrophobicContact CD2-CZ 3.95Å; Y101-F192 AromaticContact CE2-CE2 3.67Å; Y101-F192 HydrophobicContact CE2-CE2 3.67Å; Y101-F192 AromaticContact CE2-CZ 3.98Å; Y101-F192 HydrophobicContact CE2-CZ 3.98Å; Y101-F192 VanDerWaalsContact O-CZ 3.22Å; Y101-F192 WeakPolarHBondContact O-CZ 3.44Å |
| 102 | S | 95.3 | Very high | 93.4 | Very high | 56 Ų | 56 | 69.1 Ų | 69.1 | 39% | 0.392 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 137 | 179 | -171.7 | 0 | 0 | 0 | 0 | 110.3 | V138 D139 | S102-V138 CarbonylContact O-C 3.45Å; S102-V138 WeakPolarHBondContact O-CA 3.4Å; S102-D139 PolarHBondContact N-O 2.67Å; S102-D139 PolarHBondContact O-N 3.44Å |
| 103 | V | 96.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.018 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 109.9 | 174.3 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | P112 I135 V138 L145 L187 F192 | V103-P112 HydrophobicContact CG1-CG 3.47Å; V103-P112 VanDerWaalsContact CG1-CG 3.47Å; V103-I135 HydrophobicContact CG1-CG2 4.43Å; V103-V138 HydrophobicContact CG2-CG2 4.36Å; V103-L145 HydrophobicContact CG2-CD1 3.61Å; V103-L187 HydrophobicContact CB-CD2 4.42Å; V103-L187 HydrophobicContact CG1-CD1 4.3Å; V103-L187 HydrophobicContact CG2-CD2 3.84Å; V103-F192 HydrophobicContact CB-CB 4.12Å; V103-F192 HydrophobicContact CB-CD1 4.31Å; V103-F192 HydrophobicContact CB-CD2 4.43Å; V103-F192 HydrophobicContact CB-CG 4.03Å; V103-F192 HydrophobicContact CG2-CD2 4.39Å; V103-F192 HydrophobicContact CG2-CG 4.45Å |
| 104 | R | 95.5 | Very high | 94.1 | Very high | 117 Ų | 117 | 67 Ų | 67 | 44% | 0.442 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 135.1 | -177.4 | -170.4 | -179.7 | 60.7 | 81.4 | 8 | 111.1 | P112 H137 | R104-P112 WeakPolarHBondContact O-CG 3.13Å; R104-H137 HydrophobicContact CB-CB 4.09Å; R104-H137 PolarHBondContact N-O 2.91Å; R104-H137 PolarHBondContact NH2-CE1 2.92Å; R104-H137 VanDerWaalsContact NH2-CG 3.35Å; R104-H137 PolarHBondContact NH2-ND1 3.33Å |
| 105 | R | 95.6 | Very high | 94.4 | Very high | 28 Ų | 28 | 64 Ų | 64 | 11% | 0.106 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -58 | 150.1 | 171.6 | -64.4 | -68.1 | -177.2 | 104.5 | -0.1 | 111.8 | I89 H109 F192 | I89-R105 PolarHBondContact O-NH1 3.48Å; I89-R105 PolarHBondContact O-NH2 3.17Å; R105-H109 PolarHBondContact NH1-O 3.42Å; R105-F192 PolarHBondContact NE-O 3.16Å; R105-F192 PolarHBondContact NE-OXT 3.4Å; R105-F192 PolarHBondContact NH2-O 3.13Å |
| 106 | S | 95.5 | Very high | 94.7 | Very high | 15 Ų | 15 | 61.6 Ų | 61.6 | 11% | 0.105 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -66 | 168.8 | 171.4 | 66.3 | 0 | 0 | 0 | 0 | 111.3 | N108 H109 M110 | S106-N108 PolarHBondContact O-N 3.15Å; S106-H109 WeakPolarHBondContact O-CA 3.47Å; S106-H109 PolarHBondContact O-N 3.22Å; S106-M110 WeakPolarHBondContact CB-O 3.16Å; S106-M110 PolarHBondContact N-O 3.13Å; S106-M110 PolarHBondContact OG-N 2.99Å; S106-M110 PolarHBondContact OG-O 3.02Å |
| 107 | K | 93.8 | Very high | 95 | Very high | 154 Ų | 154 | 65.6 Ų | 65.6 | 67% | 0.67 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -23.2 | 177 | 66.3 | 175.6 | -172.8 | 175.6 | 0 | 114.3 | I74 H109 | I74-K107 HydrophobicContact CD1-CB 3.9Å; I74-K107 HydrophobicContact CD1-CD 3.88Å; I74-K107 HydrophobicContact CD1-CG 3.89Å; K107-H109 VanDerWaalsContact C-N 3.3Å |
| 108 | N | 93.8 | Very high | 95.1 | Very high | 93 Ų | 93 | 63.7 Ų | 63.7 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 14.7 | 177.3 | -63.3 | -5.5 | 0 | 0 | 0 | 111.9 | S106 M110 | S106-N108 PolarHBondContact O-N 3.15Å; N108-M110 HydrophobicContact CB-CG 4.34Å; N108-M110 PolarHBondContact O-N 3.07Å |
| 109 | H | 94.3 | Very high | 95.2 | Very high | 44 Ų | 44 | 63.3 Ų | 63.3 | 20% | 0.204 | 31% | 0.307 | C | S | . | . | S | Bend | trans | 63.1 | 18.3 | -178.5 | -44.5 | -65 | 0 | 0 | 0 | 115 | P75 F76 P77 W88 R105 S106 K107 | P75-H109 PolarHBondContact O-NE2 3.19Å; F76-H109 AromaticContact CD2-CE1 3.64Å; P77-H109 WeakPolarHBondContact CD-CD2 3.49Å; P77-H109 WeakPolarHBondContact CD-NE2 3.46Å; P77-H109 HydrophobicContact CG-CB 4.2Å; W88-H109 HydrophobicContact CZ2-CB 4.09Å; W88-H109 PolarHBondContact NE1-O 2.97Å; R105-H109 PolarHBondContact NH1-O 3.42Å; S106-H109 WeakPolarHBondContact O-CA 3.47Å; S106-H109 PolarHBondContact O-N 3.22Å; K107-H109 VanDerWaalsContact C-N 3.3Å |
| 110 | M | 95.2 | Very high | 95 | Very high | 102 Ų | 102 | 66.6 Ų | 66.6 | 50% | 0.502 | 32% | 0.317 | S | S | . | . | trans | -95 | 155.3 | 177.1 | -58.6 | -57.5 | -68 | 0 | 0 | 111.9 | S106 N108 | S106-M110 WeakPolarHBondContact CB-O 3.16Å; S106-M110 PolarHBondContact N-O 3.13Å; S106-M110 PolarHBondContact OG-N 2.99Å; S106-M110 PolarHBondContact OG-O 3.02Å; N108-M110 HydrophobicContact CB-CG 4.34Å; N108-M110 PolarHBondContact O-N 3.07Å | ||
| 111 | L | 96.1 | Very high | 94.6 | Very high | 26 Ų | 26 | 68.8 Ų | 68.8 | 14% | 0.136 | 32% | 0.318 | C | S | . | . | trans | -61.6 | 135.5 | 171.8 | -78.3 | 173.3 | 0 | 0 | 0 | 111.3 | V113 A184 L187 L188 F192 | L111-V113 HydrophobicContact CB-CG2 4.39Å; L111-V113 PolarHBondContact O-N 3.47Å; L111-A184 HydrophobicContact CD1-CB 4.28Å; L111-L187 HydrophobicContact CD1-CB 4.24Å; L111-L187 HydrophobicContact CD2-CB 4.08Å; L111-L187 HydrophobicContact CD2-CD1 4.35Å; L111-L188 HydrophobicContact CD1-CD1 4.41Å; L111-L188 HydrophobicContact CD1-CD2 3.77Å; L111-L188 HydrophobicContact CD1-CG 3.69Å; L111-L188 HydrophobicContact CG-CD2 4.48Å; L111-F192 HydrophobicContact CD2-CB 4.44Å | ||
| 112 | P | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | trans | -82.4 | 46 | -176.4 | 37.9 | -40.7 | 0 | 0 | 0 | 112.6 | V103 R104 Y114 I135 R136 | V103-P112 HydrophobicContact CG1-CG 3.47Å; V103-P112 VanDerWaalsContact CG1-CG 3.47Å; R104-P112 WeakPolarHBondContact O-CG 3.13Å; P112-Y114 HydrophobicContact CB-CE2 4.13Å; P112-I135 WeakPolarHBondContact O-CA 3.4Å; P112-R136 HydrophobicContact CB-CB 4.17Å; P112-R136 WeakPolarHBondContact CB-O 3.01Å; P112-R136 WeakPolarHBondContact CG-O 3.36Å; P112-R136 PolarHBondContact O-N 3.4Å | ||
| 113 | V | 97.6 | Very high | 93.7 | Very high | 7 Ų | 7 | 84.4 Ų | 84.4 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 115.7 | 179.1 | -171.8 | 0 | 0 | 0 | 0 | 108.9 | L111 Q180 V183 L187 | L111-V113 HydrophobicContact CB-CG2 4.39Å; L111-V113 PolarHBondContact O-N 3.47Å; V113-Q180 HydrophobicContact CG1-CG 4.01Å; V113-Q180 PolarHBondContact O-NE2 3.04Å; V113-Q180 VanDerWaalsContact O-NE2 3.15Å; V113-V183 HydrophobicContact CG1-CB 4.15Å; V113-V183 HydrophobicContact CG1-CG1 3.9Å; V113-V183 HydrophobicContact CG2-CG1 3.88Å; V113-L187 HydrophobicContact CG2-CD1 3.54Å |
| 114 | Y | 97.5 | Very high | 93.2 | Very high | 91 Ų | 91 | 87.8 Ų | 87.8 | 36% | 0.357 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 143.5 | -172.8 | -55.8 | -73.9 | 0 | 0 | 0 | 111.4 | P112 T133 V134 R136 | P112-Y114 HydrophobicContact CB-CE2 4.13Å; Y114-T133 WeakPolarHBondContact O-CA 3.23Å; Y114-V134 PolarHBondContact N-O 3.3Å; Y114-V134 PolarHBondContact O-N 2.96Å; Y114-R136 HydrophobicContact CD2-CG 4.11Å; Y114-R136 HydrophobicContact CE2-CB 4.44Å; Y114-R136 HydrophobicContact CE2-CG 4.13Å |
| 115 | Y | 97.2 | Very high | 92.3 | Very high | 76 Ų | 76 | 90.3 Ų | 90.3 | 30% | 0.298 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 136.4 | 163.4 | 174.9 | -110 | 0 | 0 | 0 | 110.1 | E117 Q131 L178 | Y115-E117 HydrophobicContact CD1-CG 4.49Å; Y115-E117 HydrophobicContact CE1-CG 3.45Å; Y115-E117 VanDerWaalsContact CE1-CG 3.45Å; Y115-E117 VanDerWaalsContact CE1-OE1 3.24Å; Y115-E117 WeakPolarHBondContact CE1-OE1 3.33Å; Y115-E117 HydrophobicContact CE2-CG 4.34Å; Y115-E117 VanDerWaalsContact CZ-OE1 3.28Å; Y115-E117 WeakPolarHBondContact OH-CG 3.41Å; Y115-E117 PolarHBondContact OH-OE1 3.01Å; Y115-Q131 HydrophobicContact CE2-CB 3.85Å; Y115-Q131 HydrophobicContact CE2-CG 3.88Å; Y115-Q131 VanDerWaalsContact OH-CG 3.31Å; Y115-Q131 WeakPolarHBondContact OH-CG 3.19Å; Y115-Q131 PolarHBondContact OH-NE2 2.93Å; Y115-L178 HydrophobicContact CD2-CD1 4.05Å; Y115-L178 HydrophobicContact CD2-CG 4.35Å; Y115-L178 HydrophobicContact CE2-CD1 3.73Å; Y115-L178 HydrophobicContact CE2-CG 4.35Å |
| 116 | A | 95.8 | Very high | 91.8 | Very high | 34 Ų | 34 | 92.5 Ų | 92.5 | 28% | 0.281 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 127.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L132 V134 | A116-L132 HydrophobicContact CB-CB 4.34Å; A116-L132 PolarHBondContact N-O 3.12Å; A116-L132 WeakPolarHBondContact O-CB 3.23Å; A116-L132 PolarHBondContact O-N 3.42Å; A116-V134 HydrophobicContact CB-CG2 3.85Å |
| 117 | E | 95.1 | Very high | 91.2 | Very high | 116 Ų | 116 | 100.5 Ų | 100.5 | 54% | 0.542 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 131.9 | 168.7 | -69 | -178.2 | -165.9 | 0 | 0 | 110.1 | Y115 R130 | Y115-E117 HydrophobicContact CD1-CG 4.49Å; Y115-E117 HydrophobicContact CE1-CG 3.45Å; Y115-E117 VanDerWaalsContact CE1-CG 3.45Å; Y115-E117 VanDerWaalsContact CE1-OE1 3.24Å; Y115-E117 WeakPolarHBondContact CE1-OE1 3.33Å; Y115-E117 HydrophobicContact CE2-CG 4.34Å; Y115-E117 VanDerWaalsContact CZ-OE1 3.28Å; Y115-E117 WeakPolarHBondContact OH-CG 3.41Å; Y115-E117 PolarHBondContact OH-OE1 3.01Å; E117-R130 WeakPolarHBondContact CA-O 3.5Å |
| 118 | K | 92.8 | Very high | 91 | Very high | 117 Ų | 117 | 95 Ų | 95 | 51% | 0.509 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 135.4 | 176.3 | -170.4 | 175 | 179.7 | 171.2 | 0 | 109.9 | R120 T129 R130 L132 | K118-R120 PolarHBondContact O-N 3.09Å; K118-T129 CarbonylContact O-C 3.55Å; K118-T129 WeakPolarHBondContact O-CA 3.21Å; K118-R130 PolarHBondContact N-O 3.41Å; K118-R130 PolarHBondContact O-N 3.29Å; K118-L132 HydrophobicContact CB-CD1 4.33Å |
| 119 | Q | 91.4 | Very high | 90.9 | Very high | 138 Ų | 138 | 93.4 Ų | 93.4 | 65% | 0.645 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 133.2 | 170.2 | -66.7 | -65.6 | -17.3 | 0 | 0 | 109.9 | G128 | Q119-G128 PolarHBondContact OE1-O 2.93Å |
| 120 | R | 89.3 | Confident | 90.7 | Very high | 91 Ų | 91 | 94.5 Ų | 94.5 | 34% | 0.343 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 143.5 | 174.8 | -76.8 | -167.6 | 168.2 | 131.8 | -2.8 | 110.1 | K118 E124 T126 G128 R130 | K118-R120 PolarHBondContact O-N 3.09Å; R120-E124 WeakPolarHBondContact CB-OE2 3.41Å; R120-E124 WeakPolarHBondContact CG-OE2 3.34Å; R120-T126 WeakPolarHBondContact CB-O 3.36Å; R120-T126 VanDerWaalsContact NH1-CG2 3.34Å; R120-G128 WeakPolarHBondContact CB-O 3.33Å; R120-G128 PolarHBondContact N-O 3.08Å; R120-R130 HydrophobicContact CG-CB 4.23Å |
| 121 | K | 86.9 | Confident | 90.6 | Very high | 131 Ų | 131 | 93.5 Ų | 93.5 | 57% | 0.57 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 143.7 | 179 | -68 | 179.3 | -179.1 | 175.3 | 0 | 108.8 | K123 E124 | K121-K123 PolarHBondContact O-N 3.02Å; K121-E124 HydrophobicContact CB-CG 4.36Å; K121-E124 WeakPolarHBondContact O-CB 3.4Å; K121-E124 PolarHBondContact O-N 3.36Å |
| 122 | K | 83.4 | Confident | 90.6 | Very high | 206 Ų | 206 | 93.2 Ų | 93.2 | 90% | 0.896 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -52.1 | -29.9 | 175.7 | -167.5 | 175.4 | -178.5 | 179.5 | 0 | 113.2 | E124 H125 | K122-E124 VanDerWaalsContact C-N 3.29Å; K122-E124 PolarHBondContact O-N 3.17Å; K122-H125 PolarHBondContact O-N 3.36Å |
| 123 | K | 88 | Confident | 90.6 | Very high | 184 Ų | 184 | 93.2 Ų | 93.2 | 80% | 0.8 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -66.6 | -22.3 | 177.1 | -170.4 | 175.7 | 178.8 | -178.6 | 0 | 114.2 | K121 H125 | K121-K123 PolarHBondContact O-N 3.02Å; K123-H125 PolarHBondContact O-CD2 2.94Å; K123-H125 VanDerWaalsContact O-CD2 3.25Å; K123-H125 PolarHBondContact O-N 3.36Å |
| 124 | E | 84.7 | Confident | 90.6 | Very high | 74 Ų | 74 | 93.5 Ų | 93.5 | 35% | 0.346 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -79.4 | -2.6 | -179.7 | -66.1 | 164.8 | -158.6 | 0 | 0 | 112.4 | R120 K121 K122 T126 | R120-E124 WeakPolarHBondContact CB-OE2 3.41Å; R120-E124 WeakPolarHBondContact CG-OE2 3.34Å; K121-E124 HydrophobicContact CB-CG 4.36Å; K121-E124 WeakPolarHBondContact O-CB 3.4Å; K121-E124 PolarHBondContact O-N 3.36Å; K122-E124 VanDerWaalsContact C-N 3.29Å; K122-E124 PolarHBondContact O-N 3.17Å; E124-T126 PolarHBondContact O-N 3.38Å; E124-T126 PolarHBondContact O-OG1 3.38Å |
| 125 | H | 78.6 | Confident | 90.7 | Very high | 170 Ų | 170 | 89.2 Ų | 89.2 | 79% | 0.787 | 42% | 0.423 | S | S | * | . | trans | 50.6 | 18.7 | -179.5 | -65.9 | -79.7 | 0 | 0 | 0 | 115 | K122 K123 | K122-H125 PolarHBondContact O-N 3.36Å; K123-H125 PolarHBondContact O-CD2 2.94Å; K123-H125 VanDerWaalsContact O-CD2 3.25Å; K123-H125 PolarHBondContact O-N 3.36Å | ||
| 126 | T | 83.6 | Confident | 90.7 | Very high | 74 Ų | 74 | 91.7 Ų | 91.7 | 45% | 0.454 | 43% | 0.432 | S | S | . | . | trans | -126.3 | 126.4 | -177.1 | -52.1 | 0 | 0 | 0 | 0 | 108.2 | R120 E124 | R120-T126 WeakPolarHBondContact CB-O 3.36Å; R120-T126 VanDerWaalsContact NH1-CG2 3.34Å; E124-T126 PolarHBondContact O-N 3.38Å; E124-T126 PolarHBondContact O-OG1 3.38Å | ||
| 127 | H | 82.6 | Confident | 90.7 | Very high | 183 Ų | 183 | 92.5 Ų | 92.5 | 85% | 0.847 | 43% | 0.43 | S | S | * | . | trans | -76.9 | 158.7 | 175.1 | -62 | -71.1 | 0 | 0 | 0 | 110.9 | ||||
| 128 | G | 89.7 | Confident | 90.8 | Very high | 38 Ų | 38 | 87 Ų | 87 | 39% | 0.392 | 41% | 0.405 | S | S | . | . | S | Bend | trans | 109.7 | -175.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q119 R120 | Q119-G128 PolarHBondContact OE1-O 2.93Å; R120-G128 WeakPolarHBondContact CB-O 3.33Å; R120-G128 PolarHBondContact N-O 3.08Å |
| 129 | T | 92.6 | Very high | 90.9 | Very high | 60 Ų | 60 | 83.9 Ų | 83.9 | 37% | 0.368 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 149.7 | 179.2 | 52.4 | 0 | 0 | 0 | 0 | 110.9 | K118 | K118-T129 CarbonylContact O-C 3.55Å; K118-T129 WeakPolarHBondContact O-CA 3.21Å |
| 130 | R | 90.4 | Very high | 91.1 | Very high | 66 Ų | 66 | 80 Ų | 80 | 25% | 0.249 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 126.7 | 170.2 | 179.4 | 174.1 | 173.7 | 165.7 | -0.3 | 108 | E117 K118 R120 L132 E176 | E117-R130 WeakPolarHBondContact CA-O 3.5Å; K118-R130 PolarHBondContact N-O 3.41Å; K118-R130 PolarHBondContact O-N 3.29Å; R120-R130 HydrophobicContact CG-CB 4.23Å; R130-L132 HydrophobicContact CG-CD2 3.96Å; R130-L132 HydrophobicContact CG-CG 4.26Å; R130-L132 VanDerWaalsContact NE-CD2 3.27Å; R130-E176 HydrophobicContact CG-CG 4.3Å; R130-E176 IonicContact CZ-OE1 3.6Å; R130-E176 IonicContact CZ-OE2 2.98Å; R130-E176 IonicContact NE-OE1 3.37Å; R130-E176 PolarHBondContact NE-OE1 3.27Å; R130-E176 IonicContact NE-OE2 3.45Å; R130-E176 PolarHBondContact NE-OE2 3.03Å; R130-E176 IonicContact NH1-OE2 3.57Å; R130-E176 IonicContact NH2-OE1 3.98Å; R130-E176 IonicContact NH2-OE2 2.64Å; R130-E176 PolarHBondContact NH2-OE2 2.95Å |
| 131 | Q | 93.6 | Very high | 91.3 | Very high | 81 Ų | 81 | 79.5 Ų | 79.5 | 38% | 0.379 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 132.5 | 171.6 | -63.7 | -173.1 | -29.2 | 0 | 0 | 109.1 | Y115 G177 | Y115-Q131 HydrophobicContact CE2-CB 3.85Å; Y115-Q131 HydrophobicContact CE2-CG 3.88Å; Y115-Q131 VanDerWaalsContact OH-CG 3.31Å; Y115-Q131 WeakPolarHBondContact OH-CG 3.19Å; Y115-Q131 PolarHBondContact OH-NE2 2.93Å; Q131-G177 PolarHBondContact O-N 3.39Å |
| 132 | L | 95.5 | Very high | 91.7 | Very high | 21 Ų | 21 | 74.1 Ų | 74.1 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.5 | 178.6 | -61.9 | 173.8 | 0 | 0 | 0 | 109.5 | A116 K118 R130 V134 I175 G177 | A116-L132 HydrophobicContact CB-CB 4.34Å; A116-L132 PolarHBondContact N-O 3.12Å; A116-L132 WeakPolarHBondContact O-CB 3.23Å; A116-L132 PolarHBondContact O-N 3.42Å; K118-L132 HydrophobicContact CB-CD1 4.33Å; R130-L132 HydrophobicContact CG-CD2 3.96Å; R130-L132 HydrophobicContact CG-CG 4.26Å; R130-L132 VanDerWaalsContact NE-CD2 3.27Å; L132-V134 HydrophobicContact CB-CG2 4.31Å; L132-I175 CarbonylContact C-O 3.59Å; L132-I175 VanDerWaalsContact CA-O 3.25Å; L132-I175 WeakPolarHBondContact CA-O 3.32Å; L132-G177 CarbonylContact C-O 3.59Å |
| 133 | T | 97.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 126.2 | 159.3 | 44.9 | 0 | 0 | 0 | 0 | 109.7 | Y114 K174 I175 G177 F179 Q180 | Y114-T133 WeakPolarHBondContact O-CA 3.23Å; T133-K174 WeakPolarHBondContact O-CA 3.3Å; T133-I175 PolarHBondContact N-O 2.63Å; T133-I175 PolarHBondContact O-N 2.9Å; T133-I175 WeakPolarHBondContact OG1-CB 3.5Å; T133-G177 PolarHBondContact N-O 3.08Å; T133-F179 HydrophobicContact CG2-CB 4.21Å; T133-Q180 HydrophobicContact CG2-CB 4.24Å |
| 134 | V | 97.4 | Very high | 92.6 | Very high | 13 Ų | 13 | 60.5 Ų | 60.5 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 117.7 | -176.4 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | Y114 A116 L132 R136 I173 K174 | Y114-V134 PolarHBondContact N-O 3.3Å; Y114-V134 PolarHBondContact O-N 2.96Å; A116-V134 HydrophobicContact CB-CG2 3.85Å; L132-V134 HydrophobicContact CB-CG2 4.31Å; V134-R136 HydrophobicContact CG1-CG 4.15Å; V134-I173 WeakPolarHBondContact CA-O 3.38Å; V134-K174 HydrophobicContact CG1-CG 4.31Å; V134-K174 HydrophobicContact CG2-CG 4.23Å |
| 135 | I | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 128.1 | 172.9 | -50.9 | 170.7 | 0 | 0 | 0 | 107.1 | V103 P112 V138 L145 L149 C172 I173 I175 V183 | V103-I135 HydrophobicContact CG1-CG2 4.43Å; P112-I135 WeakPolarHBondContact O-CA 3.4Å; I135-V138 HydrophobicContact CG2-CG2 3.79Å; I135-L145 HydrophobicContact CD1-CD2 4.36Å; I135-L149 HydrophobicContact CD1-CD1 3.34Å; I135-C172 CarbonylContact O-C 3.56Å; I135-C172 VanDerWaalsContact O-CA 3.23Å; I135-C172 WeakPolarHBondContact O-CA 3.28Å; I135-I173 HydrophobicContact CB-CB 4.36Å; I135-I173 PolarHBondContact N-O 3.19Å; I135-I173 PolarHBondContact O-N 2.97Å; I135-I175 HydrophobicContact CD1-CD1 4.44Å; I135-V183 HydrophobicContact CD1-CG1 3.46Å; I135-V183 VanDerWaalsContact CD1-CG1 3.46Å; I135-V183 HydrophobicContact CG1-CG1 3.89Å |
| 136 | R | 97.3 | Very high | 94 | Very high | 128 Ų | 128 | 49.3 Ų | 49.3 | 48% | 0.483 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 168.3 | 178.5 | -57.7 | -171.7 | 174.8 | -156.1 | -0.7 | 111.3 | P112 Y114 V134 V138 R171 | P112-R136 HydrophobicContact CB-CB 4.17Å; P112-R136 WeakPolarHBondContact CB-O 3.01Å; P112-R136 WeakPolarHBondContact CG-O 3.36Å; P112-R136 PolarHBondContact O-N 3.4Å; Y114-R136 HydrophobicContact CD2-CG 4.11Å; Y114-R136 HydrophobicContact CE2-CB 4.44Å; Y114-R136 HydrophobicContact CE2-CG 4.13Å; V134-R136 HydrophobicContact CG1-CG 4.15Å; R136-V138 VanDerWaalsContact C-N 3.28Å; R136-V138 PolarHBondContact O-N 3.38Å; R136-R171 CarbonylContact C-O 3.51Å |
| 137 | H | 96.6 | Very high | 94.6 | Very high | 52 Ų | 52 | 50.2 Ų | 50.2 | 24% | 0.241 | 27% | 0.269 | C | S | . | . | trans | 58.9 | 40 | 174.1 | -50.7 | -43.2 | 0 | 0 | 0 | 113 | R104 R171 | R104-H137 HydrophobicContact CB-CB 4.09Å; R104-H137 PolarHBondContact N-O 2.91Å; R104-H137 PolarHBondContact NH2-CE1 2.92Å; R104-H137 VanDerWaalsContact NH2-CG 3.35Å; R104-H137 PolarHBondContact NH2-ND1 3.33Å; H137-R171 PolarHBondContact N-O 2.7Å; H137-R171 VanDerWaalsContact N-O 3.09Å | ||
| 138 | V | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 121.2 | 172 | -172.1 | 0 | 0 | 0 | 0 | 108.6 | S102 V103 I135 R136 M142 L145 R171 I173 | S102-V138 CarbonylContact O-C 3.45Å; S102-V138 WeakPolarHBondContact O-CA 3.4Å; V103-V138 HydrophobicContact CG2-CG2 4.36Å; I135-V138 HydrophobicContact CG2-CG2 3.79Å; R136-V138 VanDerWaalsContact C-N 3.28Å; R136-V138 PolarHBondContact O-N 3.38Å; V138-M142 HydrophobicContact CB-CG 4Å; V138-M142 HydrophobicContact CB-SD 4.48Å; V138-M142 HydrophobicContact CG1-CG 3.55Å; V138-L145 HydrophobicContact CG1-CD1 3.56Å; V138-L145 HydrophobicContact CG2-CD1 4.13Å; V138-R171 PolarHBondContact N-O 3.26Å; V138-R171 VanDerWaalsContact O-CB 3.23Å; V138-R171 WeakPolarHBondContact O-CB 3.41Å; V138-R171 WeakPolarHBondContact O-CD 3.37Å; V138-R171 WeakPolarHBondContact O-CG 3.41Å; V138-I173 HydrophobicContact CG1-CD1 4.48Å; V138-I173 HydrophobicContact CG2-CD1 4.3Å |
| 139 | D | 95.1 | Very high | 95.6 | Very high | 51 Ų | 51 | 42.2 Ų | 42.2 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 158 | 175.7 | -65.5 | -51.3 | 0 | 0 | 0 | 109.3 | Y101 S102 R171 | Y101-D139 CarbonylContact C-O 3.57Å; Y101-D139 WeakPolarHBondContact CA-O 3.31Å; S102-D139 PolarHBondContact N-O 2.67Å; S102-D139 PolarHBondContact O-N 3.44Å; D139-R171 WeakPolarHBondContact OD1-CD 3.47Å; D139-R171 IonicContact OD1-CZ 3.5Å; D139-R171 IonicContact OD1-NE 3.69Å; D139-R171 IonicContact OD1-NH1 3.66Å; D139-R171 PolarHBondContact OD1-NH1 2.93Å; D139-R171 IonicContact OD2-NH1 3.42Å |
| 140 | G | 94.7 | Very high | 95.7 | Very high | 58 Ų | 58 | 45.9 Ų | 45.9 | 60% | 0.598 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 79.4 | -149 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | M142 | G140-M142 PolarHBondContact O-N 2.72Å; G140-M142 VanDerWaalsContact O-N 3.08Å |
| 141 | D | 95 | Very high | 95.9 | Very high | 79 Ų | 79 | 47.9 Ų | 47.9 | 42% | 0.422 | 25% | 0.25 | S | S | . | . | trans | -77.2 | 93.1 | -176.1 | -172.6 | -5.1 | 0 | 0 | 0 | 112.5 | P100 Y101 Q143 A144 L145 | P100-D141 HydrophobicContact CB-CB 4.23Å; P100-D141 PolarHBondContact O-N 2.86Å; Y101-D141 WeakPolarHBondContact CB-O 3.31Å; D141-Q143 VanDerWaalsContact C-N 3.27Å; D141-Q143 PolarHBondContact O-N 3.01Å; D141-Q143 WeakPolarHBondContact OD1-CB 3.22Å; D141-Q143 PolarHBondContact OD1-N 2.8Å; D141-A144 HydrophobicContact CB-CB 4.02Å; D141-A144 PolarHBondContact O-N 3.01Å; D141-A144 PolarHBondContact OD1-N 3.12Å; D141-A144 WeakPolarHBondContact OD2-CB 3.39Å; D141-L145 PolarHBondContact O-N 3.47Å | ||
| 142 | M | 94.8 | Very high | 96 | Very high | 18 Ų | 18 | 47.4 Ų | 47.4 | 9% | 0.089 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64 | -29 | 178.1 | -80.5 | 172.8 | -77.5 | 0 | 0 | 113.7 | V138 G140 L145 A146 E168 | V138-M142 HydrophobicContact CB-CG 4Å; V138-M142 HydrophobicContact CB-SD 4.48Å; V138-M142 HydrophobicContact CG1-CG 3.55Å; G140-M142 PolarHBondContact O-N 2.72Å; G140-M142 VanDerWaalsContact O-N 3.08Å; M142-L145 PolarHBondContact O-N 2.78Å; M142-A146 PolarHBondContact O-N 2.83Å; M142-E168 HydrophobicContact CE-CB 3.42Å; M142-E168 VanDerWaalsContact CE-CB 3.42Å; M142-E168 HydrophobicContact CE-CG 3.61Å; M142-E168 HydrophobicContact SD-CB 4.3Å; M142-E168 HydrophobicContact SD-CG 4.32Å |
| 143 | Q | 95.1 | Very high | 95.9 | Very high | 86 Ų | 86 | 46.5 Ų | 46.5 | 40% | 0.402 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -72.3 | -38.1 | -179.8 | -59.6 | -61.8 | -25.3 | 0 | 0 | 110.4 | D141 L145 A146 N147 E168 | D141-Q143 VanDerWaalsContact C-N 3.27Å; D141-Q143 PolarHBondContact O-N 3.01Å; D141-Q143 WeakPolarHBondContact OD1-CB 3.22Å; D141-Q143 PolarHBondContact OD1-N 2.8Å; Q143-L145 VanDerWaalsContact C-N 3.32Å; Q143-L145 PolarHBondContact O-N 3.37Å; Q143-A146 PolarHBondContact O-N 2.82Å; Q143-N147 VanDerWaalsContact O-CG 3.28Å; Q143-N147 PolarHBondContact O-N 3.15Å; Q143-N147 PolarHBondContact O-ND2 3.25Å; Q143-E168 PolarHBondContact NE2-OE1 3.35Å |
| 144 | A | 96.1 | Very high | 95.7 | Very high | 18 Ų | 18 | 49.6 Ų | 49.6 | 15% | 0.149 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P100 Y101 D141 A146 N147 D148 | P100-A144 HydrophobicContact CG-CB 3.77Å; Y101-A144 HydrophobicContact CD1-CB 3.87Å; Y101-A144 HydrophobicContact CE1-CB 4.19Å; D141-A144 HydrophobicContact CB-CB 4.02Å; D141-A144 PolarHBondContact O-N 3.01Å; D141-A144 PolarHBondContact OD1-N 3.12Å; D141-A144 WeakPolarHBondContact OD2-CB 3.39Å; A144-A146 PolarHBondContact O-N 2.8Å; A144-N147 PolarHBondContact O-N 3.32Å; A144-D148 PolarHBondContact O-N 2.97Å |
| 145 | L | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 174.3 | -161.1 | 162.9 | 0 | 0 | 0 | 111 | Y101 V103 I135 V138 D141 M142 Q143 N147 D148 L149 I173 | Y101-L145 HydrophobicContact CD1-CB 3.79Å; Y101-L145 HydrophobicContact CD1-CG 4.47Å; Y101-L145 HydrophobicContact CD2-CB 3.94Å; Y101-L145 HydrophobicContact CD2-CD1 3.55Å; Y101-L145 HydrophobicContact CD2-CG 3.8Å; Y101-L145 VanDerWaalsContact CE1-CA 3.49Å; Y101-L145 HydrophobicContact CE1-CB 3.92Å; Y101-L145 HydrophobicContact CE1-CG 4.36Å; Y101-L145 HydrophobicContact CE2-CB 4.03Å; Y101-L145 HydrophobicContact CE2-CD1 3.75Å; Y101-L145 HydrophobicContact CE2-CG 3.63Å; Y101-L145 HydrophobicContact CG-CB 3.81Å; Y101-L145 HydrophobicContact CG-CD1 4.16Å; Y101-L145 HydrophobicContact CG-CG 4.22Å; V103-L145 HydrophobicContact CG2-CD1 3.61Å; I135-L145 HydrophobicContact CD1-CD2 4.36Å; V138-L145 HydrophobicContact CG1-CD1 3.56Å; V138-L145 HydrophobicContact CG2-CD1 4.13Å; D141-L145 PolarHBondContact O-N 3.47Å; M142-L145 PolarHBondContact O-N 2.78Å; Q143-L145 VanDerWaalsContact C-N 3.32Å; Q143-L145 PolarHBondContact O-N 3.37Å; L145-N147 VanDerWaalsContact C-N 3.28Å; L145-N147 PolarHBondContact O-N 3.39Å; L145-D148 PolarHBondContact O-N 3.2Å; L145-L149 HydrophobicContact CD2-CD1 3.23Å; L145-L149 HydrophobicContact CD2-CD2 4.4Å; L145-L149 HydrophobicContact CD2-CG 3.53Å; L145-L149 WeakPolarHBondContact O-CG 3.35Å; L145-L149 PolarHBondContact O-N 2.94Å; L145-I173 HydrophobicContact CB-CD1 4.03Å; L145-I173 HydrophobicContact CD1-CD1 4.23Å; L145-I173 HydrophobicContact CD2-CD1 3.61Å; L145-I173 HydrophobicContact CG-CD1 4.15Å |
| 146 | A | 96.2 | Very high | 95.1 | Very high | 9 Ų | 9 | 59.4 Ų | 59.4 | 7% | 0.074 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.9 | -36.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M142 Q143 A144 R150 | M142-A146 PolarHBondContact O-N 2.83Å; Q143-A146 PolarHBondContact O-N 2.82Å; A144-A146 PolarHBondContact O-N 2.8Å; A146-R150 WeakPolarHBondContact O-CB 3.08Å; A146-R150 PolarHBondContact O-N 3.45Å |
| 147 | N | 95.9 | Very high | 94.6 | Very high | 93 Ų | 93 | 54.3 Ų | 54.3 | 50% | 0.497 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70.1 | -41.8 | 176.1 | -70.1 | -27.6 | 0 | 0 | 0 | 112.6 | Q143 A144 L145 R150 T151 | Q143-N147 VanDerWaalsContact O-CG 3.28Å; Q143-N147 PolarHBondContact O-N 3.15Å; Q143-N147 PolarHBondContact O-ND2 3.25Å; A144-N147 PolarHBondContact O-N 3.32Å; L145-N147 VanDerWaalsContact C-N 3.28Å; L145-N147 PolarHBondContact O-N 3.39Å; N147-R150 WeakPolarHBondContact O-CB 3.22Å; N147-R150 PolarHBondContact O-N 2.99Å; N147-T151 PolarHBondContact O-N 3.32Å; N147-T151 PolarHBondContact O-OG1 2.86Å |
| 148 | D | 96 | Very high | 93.7 | Very high | 54 Ų | 54 | 62 Ų | 62 | 29% | 0.289 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.7 | -47 | 173.9 | -87.8 | 21.5 | 0 | 0 | 0 | 110.5 | Y101 A144 L145 R150 T151 L152 F186 K190 | Y101-D148 PolarHBondContact OH-OD2 3.31Å; A144-D148 PolarHBondContact O-N 2.97Å; L145-D148 PolarHBondContact O-N 3.2Å; D148-R150 VanDerWaalsContact C-N 3.34Å; D148-R150 PolarHBondContact O-N 3.4Å; D148-T151 PolarHBondContact O-N 3.18Å; D148-L152 WeakPolarHBondContact O-CG 3.47Å; D148-L152 PolarHBondContact O-N 3.38Å; D148-L152 VanDerWaalsContact O-N 3.17Å; D148-F186 HydrophobicContact CB-CE1 4.31Å; D148-F186 HydrophobicContact CB-CZ 3.9Å; D148-K190 IonicContact OD2-NZ 2.82Å; D148-K190 PolarHBondContact OD2-NZ 3.11Å |
| 149 | L | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 176.6 | -70.1 | -174.2 | 0 | 0 | 0 | 112.9 | I135 L145 T151 L152 L153 F162 I175 V183 F186 | I135-L149 HydrophobicContact CD1-CD1 3.34Å; L145-L149 HydrophobicContact CD2-CD1 3.23Å; L145-L149 HydrophobicContact CD2-CD2 4.4Å; L145-L149 HydrophobicContact CD2-CG 3.53Å; L145-L149 WeakPolarHBondContact O-CG 3.35Å; L145-L149 PolarHBondContact O-N 2.94Å; L149-T151 VanDerWaalsContact C-N 3.32Å; L149-T151 PolarHBondContact O-N 3.49Å; L149-L152 HydrophobicContact CD2-CD1 4.36Å; L149-L152 PolarHBondContact O-N 3.08Å; L149-L153 WeakPolarHBondContact O-CB 3.37Å; L149-L153 WeakPolarHBondContact O-CG 3.47Å; L149-L153 PolarHBondContact O-N 3.01Å; L149-F162 HydrophobicContact CB-CZ 4.13Å; L149-I175 HydrophobicContact CB-CD1 4.4Å; L149-I175 HydrophobicContact CD1-CD1 3.58Å; L149-V183 HydrophobicContact CD2-CG1 4.48Å; L149-V183 HydrophobicContact CD2-CG2 4.25Å; L149-F186 HydrophobicContact CD2-CD1 3.65Å; L149-F186 HydrophobicContact CD2-CE1 3.94Å |
| 150 | R | 95.3 | Very high | 91.9 | Very high | 136 Ų | 136 | 64.6 Ų | 64.6 | 51% | 0.513 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.1 | -50.1 | 173.5 | -176.6 | 171.9 | -174.3 | 169.7 | 0.2 | 109.9 | A146 N147 D148 L152 L153 Q154 F162 | A146-R150 WeakPolarHBondContact O-CB 3.08Å; A146-R150 PolarHBondContact O-N 3.45Å; N147-R150 WeakPolarHBondContact O-CB 3.22Å; N147-R150 PolarHBondContact O-N 2.99Å; D148-R150 VanDerWaalsContact C-N 3.34Å; D148-R150 PolarHBondContact O-N 3.4Å; R150-L152 VanDerWaalsContact C-N 3.25Å; R150-L152 PolarHBondContact O-N 3.03Å; R150-L153 PolarHBondContact O-N 3.19Å; R150-Q154 WeakPolarHBondContact O-CB 3.47Å; R150-Q154 PolarHBondContact O-N 2.63Å; R150-F162 HydrophobicContact CB-CD1 3.55Å; R150-F162 HydrophobicContact CB-CE1 3.54Å; R150-F162 HydrophobicContact CB-CG 4.28Å; R150-F162 HydrophobicContact CB-CZ 4.31Å; R150-F162 HydrophobicContact CG-CB 4.25Å; R150-F162 HydrophobicContact CG-CD1 3.52Å; R150-F162 HydrophobicContact CG-CE1 4.07Å; R150-F162 HydrophobicContact CG-CG 4.05Å |
| 151 | T | 94.8 | Very high | 91.4 | Very high | 108 Ų | 108 | 67.9 Ų | 67.9 | 66% | 0.663 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -58.7 | -37.8 | -179.1 | -54.6 | 0 | 0 | 0 | 0 | 112.3 | N147 D148 L149 P155 | N147-T151 PolarHBondContact O-N 3.32Å; N147-T151 PolarHBondContact O-OG1 2.86Å; D148-T151 PolarHBondContact O-N 3.18Å; L149-T151 VanDerWaalsContact C-N 3.32Å; L149-T151 PolarHBondContact O-N 3.49Å; T151-P155 WeakPolarHBondContact O-CD 3.46Å |
| 152 | L | 94.9 | Very high | 91.2 | Very high | 71 Ų | 71 | 65.4 Ų | 65.4 | 37% | 0.372 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -77.2 | -38.8 | -179.4 | -64.8 | 165.5 | 0 | 0 | 0 | 114.3 | D148 L149 R150 F186 | D148-L152 WeakPolarHBondContact O-CG 3.47Å; D148-L152 PolarHBondContact O-N 3.38Å; D148-L152 VanDerWaalsContact O-N 3.17Å; L149-L152 HydrophobicContact CD2-CD1 4.36Å; L149-L152 PolarHBondContact O-N 3.08Å; R150-L152 VanDerWaalsContact C-N 3.25Å; R150-L152 PolarHBondContact O-N 3.03Å; L152-F186 HydrophobicContact CD1-CB 3.94Å; L152-F186 HydrophobicContact CD1-CD1 3.69Å; L152-F186 HydrophobicContact CD1-CD2 3.13Å; L152-F186 HydrophobicContact CD1-CE1 3.89Å; L152-F186 HydrophobicContact CD1-CE2 3.37Å; L152-F186 HydrophobicContact CD1-CG 3.28Å; L152-F186 HydrophobicContact CD1-CZ 3.72Å; L152-F186 HydrophobicContact CD2-CD2 4.36Å; L152-F186 HydrophobicContact CG-CD2 4.34Å; L152-F186 HydrophobicContact CG-CE2 4.44Å |
| 153 | L | 94.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.016 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -96.4 | -26.1 | -170.1 | -64 | 177 | 0 | 0 | 0 | 112.9 | L149 R150 P155 K156 C157 F162 I175 F179 E182 V183 | L149-L153 WeakPolarHBondContact O-CB 3.37Å; L149-L153 WeakPolarHBondContact O-CG 3.47Å; L149-L153 PolarHBondContact O-N 3.01Å; R150-L153 PolarHBondContact O-N 3.19Å; L153-P155 VanDerWaalsContact C-CD 3.43Å; L153-P155 VanDerWaalsContact C-N 3.32Å; L153-K156 WeakPolarHBondContact O-CA 3.36Å; L153-K156 PolarHBondContact O-N 3.3Å; L153-C157 PolarHBondContact O-N 3.08Å; L153-C157 VanDerWaalsContact O-N 3.11Å; L153-C157 PolarHBondContact O-SG 2.83Å; L153-F162 HydrophobicContact CB-CD2 3.96Å; L153-F162 HydrophobicContact CB-CE2 3.88Å; L153-F162 HydrophobicContact CD1-CE2 3.78Å; L153-F162 HydrophobicContact CG-CE2 4.42Å; L153-I175 HydrophobicContact CD1-CD1 4.01Å; L153-I175 HydrophobicContact CD1-CG2 4.32Å; L153-F179 HydrophobicContact CD1-CB 4.1Å; L153-F179 HydrophobicContact CD1-CD2 4.26Å; L153-F179 HydrophobicContact CD1-CG 4.19Å; L153-F179 HydrophobicContact CD2-CB 3.9Å; L153-F179 HydrophobicContact CD2-CD1 3.84Å; L153-F179 HydrophobicContact CD2-CG 3.86Å; L153-E182 HydrophobicContact CD2-CB 3.87Å; L153-E182 HydrophobicContact CD2-CG 4.36Å; L153-V183 HydrophobicContact CD1-CG2 4.02Å |
| 154 | Q | 92.4 | Very high | 91.1 | Very high | 65 Ų | 65 | 67 Ų | 67 | 30% | 0.304 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | -46.3 | 174.2 | -174.3 | 76.2 | 15.2 | 0 | 0 | 114.1 | R150 K156 G160 | R150-Q154 WeakPolarHBondContact O-CB 3.47Å; R150-Q154 PolarHBondContact O-N 2.63Å; Q154-K156 VanDerWaalsContact C-N 3.28Å; Q154-K156 PolarHBondContact O-N 2.98Å; Q154-G160 PolarHBondContact NE2-O 3.28Å |
| 155 | P | 91.9 | Very high | 91 | Very high | 105 Ų | 105 | 71.1 Ų | 71.1 | 68% | 0.682 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -17.3 | 178.3 | 27.9 | -36.5 | 0 | 0 | 0 | 114.4 | T151 L153 | T151-P155 WeakPolarHBondContact O-CD 3.46Å; L153-P155 VanDerWaalsContact C-CD 3.43Å; L153-P155 VanDerWaalsContact C-N 3.32Å |
| 156 | K | 90 | Very high | 91 | Very high | 114 Ų | 114 | 72.4 Ų | 72.4 | 50% | 0.496 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -18.4 | -179 | -63.2 | -174.2 | 175.9 | -170.7 | 0 | 113.1 | L153 Q154 F179 E182 | L153-K156 WeakPolarHBondContact O-CA 3.36Å; L153-K156 PolarHBondContact O-N 3.3Å; Q154-K156 VanDerWaalsContact C-N 3.28Å; Q154-K156 PolarHBondContact O-N 2.98Å; K156-F179 HydrophobicContact CB-CE1 4.19Å; K156-E182 HydrophobicContact CD-CG 3.91Å; K156-E182 IonicContact NZ-OE1 3.8Å |
| 157 | C | 88.2 | Confident | 91 | Very high | 20 Ų | 20 | 73.7 Ų | 73.7 | 14% | 0.135 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -73.4 | 128.4 | 177.8 | -63.6 | 0 | 0 | 0 | 0 | 110.8 | L153 A159 G160 | L153-C157 PolarHBondContact O-N 3.08Å; L153-C157 VanDerWaalsContact O-N 3.11Å; L153-C157 PolarHBondContact O-SG 2.83Å; C157-A159 PolarHBondContact O-N 3.37Å; C157-G160 PolarHBondContact O-N 3.17Å |
| 158 | E | 76.1 | Confident | 90.9 | Very high | 213 Ų | 213 | 74.5 Ų | 74.5 | 100% | 0.995 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -12.5 | -173.6 | -63.5 | 177.1 | 171.2 | 0 | 0 | 115.2 | ||
| 159 | A | 75.5 | Confident | 90.9 | Very high | 78 Ų | 78 | 78.8 Ų | 78.8 | 65% | 0.645 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.2 | 7.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | C157 L161 | C157-A159 PolarHBondContact O-N 3.37Å; A159-L161 HydrophobicContact CB-CB 4.47Å; A159-L161 HydrophobicContact CB-CD1 4.25Å; A159-L161 HydrophobicContact CB-CG 4.4Å; A159-L161 PolarHBondContact O-N 3.28Å; A159-L161 VanDerWaalsContact O-N 3.07Å |
| 160 | G | 78.6 | Confident | 90.8 | Very high | 29 Ų | 29 | 82.5 Ų | 82.5 | 30% | 0.299 | 45% | 0.451 | S | S | . | . | S | Bend | trans | 58.1 | 19.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q154 C157 | Q154-G160 PolarHBondContact NE2-O 3.28Å; C157-G160 PolarHBondContact O-N 3.17Å |
| 161 | L | 84.3 | Confident | 90.9 | Very high | 127 Ų | 127 | 81.2 Ų | 81.2 | 67% | 0.665 | 45% | 0.446 | S | S | * | . | trans | -100.8 | 93.3 | 176.6 | -72.6 | 169 | 0 | 0 | 0 | 108.7 | A159 L163 | A159-L161 HydrophobicContact CB-CB 4.47Å; A159-L161 HydrophobicContact CB-CD1 4.25Å; A159-L161 HydrophobicContact CB-CG 4.4Å; A159-L161 PolarHBondContact O-N 3.28Å; A159-L161 VanDerWaalsContact O-N 3.07Å; L161-L163 PolarHBondContact O-N 3.06Å | ||
| 162 | F | 91.2 | Very high | 91 | Very high | 26 Ų | 26 | 76.8 Ų | 76.8 | 11% | 0.114 | 42% | 0.419 | C | S | . | . | trans | -79.3 | 98.4 | 172.1 | -179.7 | -107.1 | 0 | 0 | 0 | 110.3 | L149 R150 L153 C164 I175 | L149-F162 HydrophobicContact CB-CZ 4.13Å; R150-F162 HydrophobicContact CB-CD1 3.55Å; R150-F162 HydrophobicContact CB-CE1 3.54Å; R150-F162 HydrophobicContact CB-CG 4.28Å; R150-F162 HydrophobicContact CB-CZ 4.31Å; R150-F162 HydrophobicContact CG-CB 4.25Å; R150-F162 HydrophobicContact CG-CD1 3.52Å; R150-F162 HydrophobicContact CG-CE1 4.07Å; R150-F162 HydrophobicContact CG-CG 4.05Å; L153-F162 HydrophobicContact CB-CD2 3.96Å; L153-F162 HydrophobicContact CB-CE2 3.88Å; L153-F162 HydrophobicContact CD1-CE2 3.78Å; L153-F162 HydrophobicContact CG-CE2 4.42Å; F162-C164 HydrophobicContact CD1-CB 3.85Å; F162-C164 HydrophobicContact CE1-CB 3.24Å; F162-C164 HydrophobicContact CE2-CB 4.47Å; F162-C164 HydrophobicContact CZ-CB 3.61Å; F162-I175 HydrophobicContact CD2-CG2 4.37Å; F162-I175 HydrophobicContact CE2-CD1 4.14Å; F162-I175 HydrophobicContact CE2-CG1 4.08Å; F162-I175 HydrophobicContact CE2-CG2 3.7Å; F162-I175 HydrophobicContact CZ-CD1 4.02Å; F162-I175 HydrophobicContact CZ-CG1 3.94Å; F162-I175 HydrophobicContact CZ-CG2 4.39Å | ||
| 163 | L | 92.9 | Very high | 91.1 | Very high | 91 Ų | 91 | 73.4 Ų | 73.4 | 48% | 0.476 | 40% | 0.402 | S | S | . | . | trans | -92.7 | 106 | 177.5 | -68.7 | 165.5 | 0 | 0 | 0 | 109.6 | L161 E176 | L161-L163 PolarHBondContact O-N 3.06Å; L163-E176 HydrophobicContact CB-CB 3.89Å; L163-E176 WeakPolarHBondContact CD1-OE2 3.36Å; L163-E176 PolarHBondContact O-N 2.87Å | ||
| 164 | C | 94.6 | Very high | 91.2 | Very high | 48 Ų | 48 | 76.5 Ų | 76.5 | 32% | 0.324 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 138.8 | -177.8 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | F162 I173 K174 I175 | F162-C164 HydrophobicContact CD1-CB 3.85Å; F162-C164 HydrophobicContact CE1-CB 3.24Å; F162-C164 HydrophobicContact CE2-CB 4.47Å; F162-C164 HydrophobicContact CZ-CB 3.61Å; C164-I173 VanDerWaalsContact SG-CG2 3.58Å; C164-K174 CarbonylContact C-O 3.6Å; C164-K174 WeakPolarHBondContact CA-O 3.37Å; C164-I175 HydrophobicContact CB-CG1 4.28Å |
| 165 | Q | 95.1 | Very high | 91.4 | Very high | 103 Ų | 103 | 73.5 Ų | 73.5 | 48% | 0.481 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 117.6 | 173.4 | 177.7 | -177.9 | -1.5 | 0 | 0 | 108.5 | D167 I173 K174 | Q165-D167 WeakPolarHBondContact CG-OD1 3.29Å; Q165-D167 PolarHBondContact NE2-OD1 3.41Å; Q165-D167 PolarHBondContact NE2-OD2 3.48Å; Q165-I173 WeakPolarHBondContact O-CA 3.23Å; Q165-K174 HydrophobicContact CB-CB 4.41Å; Q165-K174 PolarHBondContact N-O 3.11Å; Q165-K174 PolarHBondContact O-N 2.72Å |
| 166 | A | 95.9 | Very high | 91.4 | Very high | 27 Ų | 27 | 71 Ų | 71 | 22% | 0.223 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 114.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | I173 | A166-I173 HydrophobicContact CB-CG1 4.31Å |
| 167 | D | 96 | Very high | 91.6 | Very high | 37 Ų | 37 | 66.4 Ų | 66.4 | 20% | 0.198 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 92.4 | 180 | -70.9 | -30.3 | 0 | 0 | 0 | 109.9 | Q165 V169 T170 R171 C172 K174 | Q165-D167 WeakPolarHBondContact CG-OD1 3.29Å; Q165-D167 PolarHBondContact NE2-OD1 3.41Å; Q165-D167 PolarHBondContact NE2-OD2 3.48Å; D167-V169 PolarHBondContact O-N 3.22Å; D167-T170 WeakPolarHBondContact CB-OG1 3.45Å; D167-T170 PolarHBondContact O-N 3.18Å; D167-T170 PolarHBondContact O-OG1 2.96Å; D167-T170 VanDerWaalsContact O-OG1 3.13Å; D167-R171 PolarHBondContact O-N 3.47Å; D167-C172 PolarHBondContact N-O 2.85Å; D167-C172 PolarHBondContact O-N 3.49Å; D167-K174 IonicContact OD2-NZ 2.68Å; D167-K174 PolarHBondContact OD2-NZ 3.13Å |
| 168 | E | 94.3 | Very high | 91.8 | Very high | 109 Ų | 109 | 69.9 Ų | 69.9 | 51% | 0.509 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -43.9 | -169.7 | -57.2 | -173.1 | 172.4 | 0 | 0 | 113.4 | M142 Q143 T170 R171 | M142-E168 HydrophobicContact CE-CB 3.42Å; M142-E168 VanDerWaalsContact CE-CB 3.42Å; M142-E168 HydrophobicContact CE-CG 3.61Å; M142-E168 HydrophobicContact SD-CB 4.3Å; M142-E168 HydrophobicContact SD-CG 4.32Å; Q143-E168 PolarHBondContact NE2-OE1 3.35Å; E168-T170 PolarHBondContact O-N 3.02Å; E168-R171 PolarHBondContact O-N 3.29Å |
| 169 | V | 95 | Very high | 92.7 | Very high | 145 Ų | 145 | 60.9 Ų | 60.9 | 88% | 0.879 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -38.3 | 178.3 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | D167 | D167-V169 PolarHBondContact O-N 3.22Š|
| 170 | T | 95.4 | Very high | 93.6 | Very high | 78 Ų | 78 | 60.8 Ų | 60.8 | 48% | 0.479 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -6.2 | -179.5 | 66.6 | 0 | 0 | 0 | 0 | 113.3 | D167 E168 C172 | D167-T170 WeakPolarHBondContact CB-OG1 3.45Å; D167-T170 PolarHBondContact O-N 3.18Å; D167-T170 PolarHBondContact O-OG1 2.96Å; D167-T170 VanDerWaalsContact O-OG1 3.13Å; E168-T170 PolarHBondContact O-N 3.02Å; T170-C172 VanDerWaalsContact C-N 3.27Å; T170-C172 PolarHBondContact O-N 2.87Å; T170-C172 PolarHBondContact O-SG 3.03Å; T170-C172 WeakPolarHBondContact OG1-CB 3.5Å |
| 171 | R | 96.7 | Very high | 94.4 | Very high | 108 Ų | 108 | 65.3 Ų | 65.3 | 41% | 0.408 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 44.5 | -174.3 | -66.8 | -175 | -70.9 | 171 | -6 | 112.6 | R136 H137 V138 D139 D167 E168 | R136-R171 CarbonylContact C-O 3.51Å; H137-R171 PolarHBondContact N-O 2.7Å; H137-R171 VanDerWaalsContact N-O 3.09Å; V138-R171 PolarHBondContact N-O 3.26Å; V138-R171 VanDerWaalsContact O-CB 3.23Å; V138-R171 WeakPolarHBondContact O-CB 3.41Å; V138-R171 WeakPolarHBondContact O-CD 3.37Å; V138-R171 WeakPolarHBondContact O-CG 3.41Å; D139-R171 WeakPolarHBondContact OD1-CD 3.47Å; D139-R171 IonicContact OD1-CZ 3.5Å; D139-R171 IonicContact OD1-NE 3.69Å; D139-R171 IonicContact OD1-NH1 3.66Å; D139-R171 PolarHBondContact OD1-NH1 2.93Å; D139-R171 IonicContact OD2-NH1 3.42Å; D167-R171 PolarHBondContact O-N 3.47Å; E168-R171 PolarHBondContact O-N 3.29Å |
| 172 | C | 97 | Very high | 95 | Very high | 16 Ų | 16 | 62 Ų | 62 | 11% | 0.108 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 138.1 | -175.4 | -66.2 | 0 | 0 | 0 | 0 | 111.4 | I135 D167 T170 | I135-C172 CarbonylContact O-C 3.56Å; I135-C172 VanDerWaalsContact O-CA 3.23Å; I135-C172 WeakPolarHBondContact O-CA 3.28Å; D167-C172 PolarHBondContact N-O 2.85Å; D167-C172 PolarHBondContact O-N 3.49Å; T170-C172 VanDerWaalsContact C-N 3.27Å; T170-C172 PolarHBondContact O-N 2.87Å; T170-C172 PolarHBondContact O-SG 3.03Å; T170-C172 WeakPolarHBondContact OG1-CB 3.5Å |
| 173 | I | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.4 | 170.7 | -66.8 | 168.5 | 0 | 0 | 0 | 107.8 | V134 I135 V138 L145 C164 Q165 A166 I175 | V134-I173 WeakPolarHBondContact CA-O 3.38Å; I135-I173 HydrophobicContact CB-CB 4.36Å; I135-I173 PolarHBondContact N-O 3.19Å; I135-I173 PolarHBondContact O-N 2.97Å; V138-I173 HydrophobicContact CG1-CD1 4.48Å; V138-I173 HydrophobicContact CG2-CD1 4.3Å; L145-I173 HydrophobicContact CB-CD1 4.03Å; L145-I173 HydrophobicContact CD1-CD1 4.23Å; L145-I173 HydrophobicContact CD2-CD1 3.61Å; L145-I173 HydrophobicContact CG-CD1 4.15Å; C164-I173 VanDerWaalsContact SG-CG2 3.58Å; Q165-I173 WeakPolarHBondContact O-CA 3.23Å; A166-I173 HydrophobicContact CB-CG1 4.31Å; I173-I175 HydrophobicContact CG2-CD1 4.25Å; I173-I175 HydrophobicContact CG2-CG1 4.12Å |
| 174 | K | 96.7 | Very high | 95.4 | Very high | 68 Ų | 68 | 57.6 Ų | 57.6 | 30% | 0.296 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 121.2 | 179.5 | -62.1 | 170.5 | -175.8 | 144.3 | 0 | 108.7 | T133 V134 C164 Q165 D167 | T133-K174 WeakPolarHBondContact O-CA 3.3Å; V134-K174 HydrophobicContact CG1-CG 4.31Å; V134-K174 HydrophobicContact CG2-CG 4.23Å; C164-K174 CarbonylContact C-O 3.6Å; C164-K174 WeakPolarHBondContact CA-O 3.37Å; Q165-K174 HydrophobicContact CB-CB 4.41Å; Q165-K174 PolarHBondContact N-O 3.11Å; Q165-K174 PolarHBondContact O-N 2.72Å; D167-K174 IonicContact OD2-NZ 2.68Å; D167-K174 PolarHBondContact OD2-NZ 3.13Å |
| 175 | I | 96 | Very high | 95.5 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 139 | 178.8 | -64.8 | 160.3 | 0 | 0 | 0 | 108 | L132 T133 I135 L149 L153 F162 C164 I173 F179 | L132-I175 CarbonylContact C-O 3.59Å; L132-I175 VanDerWaalsContact CA-O 3.25Å; L132-I175 WeakPolarHBondContact CA-O 3.32Å; T133-I175 PolarHBondContact N-O 2.63Å; T133-I175 PolarHBondContact O-N 2.9Å; T133-I175 WeakPolarHBondContact OG1-CB 3.5Å; I135-I175 HydrophobicContact CD1-CD1 4.44Å; L149-I175 HydrophobicContact CB-CD1 4.4Å; L149-I175 HydrophobicContact CD1-CD1 3.58Å; L153-I175 HydrophobicContact CD1-CD1 4.01Å; L153-I175 HydrophobicContact CD1-CG2 4.32Å; F162-I175 HydrophobicContact CD2-CG2 4.37Å; F162-I175 HydrophobicContact CE2-CD1 4.14Å; F162-I175 HydrophobicContact CE2-CG1 4.08Å; F162-I175 HydrophobicContact CE2-CG2 3.7Å; F162-I175 HydrophobicContact CZ-CD1 4.02Å; F162-I175 HydrophobicContact CZ-CG1 3.94Å; F162-I175 HydrophobicContact CZ-CG2 4.39Å; C164-I175 HydrophobicContact CB-CG1 4.28Å; I173-I175 HydrophobicContact CG2-CD1 4.25Å; I173-I175 HydrophobicContact CG2-CG1 4.12Å; I175-F179 HydrophobicContact CG2-CD2 3.94Å; I175-F179 HydrophobicContact CG2-CE2 4.4Å |
| 176 | E | 93.2 | Very high | 95.6 | Very high | 52 Ų | 52 | 57.9 Ų | 57.9 | 24% | 0.243 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 131.6 | 171.8 | -166.7 | 161.6 | -172.9 | 0 | 0 | 111.6 | R130 L163 F179 | R130-E176 HydrophobicContact CG-CG 4.3Å; R130-E176 IonicContact CZ-OE1 3.6Å; R130-E176 IonicContact CZ-OE2 2.98Å; R130-E176 IonicContact NE-OE1 3.37Å; R130-E176 PolarHBondContact NE-OE1 3.27Å; R130-E176 IonicContact NE-OE2 3.45Å; R130-E176 PolarHBondContact NE-OE2 3.03Å; R130-E176 IonicContact NH1-OE2 3.57Å; R130-E176 IonicContact NH2-OE1 3.98Å; R130-E176 IonicContact NH2-OE2 2.64Å; R130-E176 PolarHBondContact NH2-OE2 2.95Å; L163-E176 HydrophobicContact CB-CB 3.89Å; L163-E176 WeakPolarHBondContact CD1-OE2 3.36Å; L163-E176 PolarHBondContact O-N 2.87Å; E176-F179 VanDerWaalsContact O-CE2 3.28Å; E176-F179 WeakPolarHBondContact O-CE2 3.41Å |
| 177 | G | 92.9 | Very high | 95.6 | Very high | 19 Ų | 19 | 56.6 Ų | 56.6 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 108.6 | 174.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q131 L132 T133 | Q131-G177 PolarHBondContact O-N 3.39Å; L132-G177 CarbonylContact C-O 3.59Å; T133-G177 PolarHBondContact N-O 3.08Å |
| 178 | L | 93.6 | Very high | 95.5 | Very high | 93 Ų | 93 | 57.5 Ų | 57.5 | 49% | 0.487 | 29% | 0.291 | S | S | . | . | trans | -100.6 | 98.4 | 177.6 | -169.5 | 149 | 0 | 0 | 0 | 108.7 | Y115 | Y115-L178 HydrophobicContact CD2-CD1 4.05Å; Y115-L178 HydrophobicContact CD2-CG 4.35Å; Y115-L178 HydrophobicContact CE2-CD1 3.73Å; Y115-L178 HydrophobicContact CE2-CG 4.35Å | ||
| 179 | F | 94.9 | Very high | 95.5 | Very high | 23 Ų | 23 | 56.1 Ų | 56.1 | 10% | 0.101 | 29% | 0.293 | C | S | . | . | trans | -129.7 | 27.6 | -178.9 | -60.3 | -63.2 | 0 | 0 | 0 | 112.7 | T133 L153 K156 I175 E176 E181 E182 V183 | T133-F179 HydrophobicContact CG2-CB 4.21Å; L153-F179 HydrophobicContact CD1-CB 4.1Å; L153-F179 HydrophobicContact CD1-CD2 4.26Å; L153-F179 HydrophobicContact CD1-CG 4.19Å; L153-F179 HydrophobicContact CD2-CB 3.9Å; L153-F179 HydrophobicContact CD2-CD1 3.84Å; L153-F179 HydrophobicContact CD2-CG 3.86Å; K156-F179 HydrophobicContact CB-CE1 4.19Å; I175-F179 HydrophobicContact CG2-CD2 3.94Å; I175-F179 HydrophobicContact CG2-CE2 4.4Å; E176-F179 VanDerWaalsContact O-CE2 3.28Å; E176-F179 WeakPolarHBondContact O-CE2 3.41Å; F179-E181 VanDerWaalsContact C-N 3.33Å; F179-E181 PolarHBondContact O-N 3.36Å; F179-E182 WeakPolarHBondContact CA-OE2 3.32Å; F179-V183 HydrophobicContact CB-CG2 4.3Å; F179-V183 WeakPolarHBondContact O-CB 3.41Å; F179-V183 WeakPolarHBondContact O-CG2 3.39Å; F179-V183 PolarHBondContact O-N 3.09Å | ||
| 180 | Q | 94.7 | Very high | 95.5 | Very high | 77 Ų | 77 | 52.1 Ų | 52.1 | 36% | 0.36 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | -169.4 | -178.3 | 176.2 | 6.8 | 0 | 0 | 111 | V113 T133 A184 | V113-Q180 HydrophobicContact CG1-CG 4.01Å; V113-Q180 PolarHBondContact O-NE2 3.04Å; V113-Q180 VanDerWaalsContact O-NE2 3.15Å; T133-Q180 HydrophobicContact CG2-CB 4.24Å; Q180-A184 WeakPolarHBondContact O-CB 3.36Å; Q180-A184 PolarHBondContact O-N 3.04Å |
| 181 | E | 95.5 | Very high | 95.3 | Very high | 124 Ų | 124 | 48.7 Ų | 48.7 | 58% | 0.579 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -71.2 | -41.6 | -178.1 | -63.2 | -171.1 | -172.2 | 0 | 0 | 112.4 | F179 A184 K185 | F179-E181 VanDerWaalsContact C-N 3.33Å; F179-E181 PolarHBondContact O-N 3.36Å; E181-A184 PolarHBondContact O-N 3.49Å; E181-K185 WeakPolarHBondContact O-CB 3.45Å; E181-K185 VanDerWaalsContact O-CG 3.22Å; E181-K185 WeakPolarHBondContact O-CG 3.48Å; E181-K185 PolarHBondContact O-N 3.3Å; E181-K185 IonicContact OE2-NZ 3.93Å |
| 182 | E | 95.9 | Very high | 95.2 | Very high | 56 Ų | 56 | 44 Ų | 44 | 26% | 0.262 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.7 | -47.6 | 178.6 | -67.1 | 81.1 | -179.5 | 0 | 0 | 111.2 | L153 K156 F179 A184 K185 F186 | L153-E182 HydrophobicContact CD2-CB 3.87Å; L153-E182 HydrophobicContact CD2-CG 4.36Å; K156-E182 HydrophobicContact CD-CG 3.91Å; K156-E182 IonicContact NZ-OE1 3.8Å; F179-E182 WeakPolarHBondContact CA-OE2 3.32Å; E182-A184 VanDerWaalsContact C-N 3.34Å; E182-K185 PolarHBondContact O-N 3.21Å; E182-F186 WeakPolarHBondContact O-CB 3.42Å; E182-F186 PolarHBondContact O-N 2.94Å |
| 183 | V | 96.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65 | -42.1 | 178 | 173.7 | 0 | 0 | 0 | 0 | 109.9 | V113 I135 L149 L153 F179 F186 L187 | V113-V183 HydrophobicContact CG1-CB 4.15Å; V113-V183 HydrophobicContact CG1-CG1 3.9Å; V113-V183 HydrophobicContact CG2-CG1 3.88Å; I135-V183 HydrophobicContact CD1-CG1 3.46Å; I135-V183 VanDerWaalsContact CD1-CG1 3.46Å; I135-V183 HydrophobicContact CG1-CG1 3.89Å; L149-V183 HydrophobicContact CD2-CG1 4.48Å; L149-V183 HydrophobicContact CD2-CG2 4.25Å; L153-V183 HydrophobicContact CD1-CG2 4.02Å; F179-V183 HydrophobicContact CB-CG2 4.3Å; F179-V183 WeakPolarHBondContact O-CB 3.41Å; F179-V183 WeakPolarHBondContact O-CG2 3.39Å; F179-V183 PolarHBondContact O-N 3.09Å; V183-F186 PolarHBondContact O-N 3.41Å; V183-L187 HydrophobicContact CG1-CD1 4.02Å; V183-L187 HydrophobicContact CG1-CG 4.36Å; V183-L187 VanDerWaalsContact O-CG 3.31Å; V183-L187 WeakPolarHBondContact O-CG 3.48Å; V183-L187 PolarHBondContact O-N 3.46Å |
| 184 | A | 96.5 | Very high | 95 | Very high | 25 Ų | 25 | 47.8 Ų | 47.8 | 21% | 0.207 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.1 | -47.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | L111 Q180 E181 E182 F186 L187 L188 | L111-A184 HydrophobicContact CD1-CB 4.28Å; Q180-A184 WeakPolarHBondContact O-CB 3.36Å; Q180-A184 PolarHBondContact O-N 3.04Å; E181-A184 PolarHBondContact O-N 3.49Å; E182-A184 VanDerWaalsContact C-N 3.34Å; A184-F186 VanDerWaalsContact C-N 3.3Å; A184-F186 PolarHBondContact O-N 3.49Å; A184-L187 PolarHBondContact O-N 3.34Å; A184-L188 VanDerWaalsContact O-CG 3.31Å; A184-L188 WeakPolarHBondContact O-CG 3.31Å; A184-L188 PolarHBondContact O-N 3.19Å |
| 185 | K | 95.9 | Very high | 94.9 | Very high | 133 Ų | 133 | 46.7 Ų | 46.7 | 58% | 0.578 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -58.9 | -42.2 | 176.1 | -74 | 166.1 | -176.6 | 161.9 | 0 | 111.4 | E181 E182 S189 | E181-K185 WeakPolarHBondContact O-CB 3.45Å; E181-K185 VanDerWaalsContact O-CG 3.22Å; E181-K185 WeakPolarHBondContact O-CG 3.48Å; E181-K185 PolarHBondContact O-N 3.3Å; E181-K185 IonicContact OE2-NZ 3.93Å; E182-K185 PolarHBondContact O-N 3.21Å; K185-S189 PolarHBondContact O-N 3.37Å |
| 186 | F | 96.3 | Very high | 94.8 | Very high | 23 Ų | 23 | 49.4 Ų | 49.4 | 10% | 0.101 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.9 | -49.3 | 176.4 | 174.1 | -114.1 | 0 | 0 | 0 | 112.5 | D148 L149 L152 E182 V183 A184 L188 S189 K190 | D148-F186 HydrophobicContact CB-CE1 4.31Å; D148-F186 HydrophobicContact CB-CZ 3.9Å; L149-F186 HydrophobicContact CD2-CD1 3.65Å; L149-F186 HydrophobicContact CD2-CE1 3.94Å; L152-F186 HydrophobicContact CD1-CB 3.94Å; L152-F186 HydrophobicContact CD1-CD1 3.69Å; L152-F186 HydrophobicContact CD1-CD2 3.13Å; L152-F186 HydrophobicContact CD1-CE1 3.89Å; L152-F186 HydrophobicContact CD1-CE2 3.37Å; L152-F186 HydrophobicContact CD1-CG 3.28Å; L152-F186 HydrophobicContact CD1-CZ 3.72Å; L152-F186 HydrophobicContact CD2-CD2 4.36Å; L152-F186 HydrophobicContact CG-CD2 4.34Å; L152-F186 HydrophobicContact CG-CE2 4.44Å; E182-F186 WeakPolarHBondContact O-CB 3.42Å; E182-F186 PolarHBondContact O-N 2.94Å; V183-F186 PolarHBondContact O-N 3.41Å; A184-F186 VanDerWaalsContact C-N 3.3Å; A184-F186 PolarHBondContact O-N 3.49Å; F186-L188 VanDerWaalsContact C-N 3.31Å; F186-L188 PolarHBondContact O-N 3.04Å; F186-S189 WeakPolarHBondContact O-CB 3.49Å; F186-S189 PolarHBondContact O-N 3.32Å; F186-S189 VanDerWaalsContact O-N 3.08Å; F186-S189 PolarHBondContact O-OG 3.49Å; F186-K190 HydrophobicContact CD2-CG 4.41Å; F186-K190 HydrophobicContact CE1-CG 4.37Å; F186-K190 HydrophobicContact CE2-CD 4.25Å; F186-K190 HydrophobicContact CE2-CG 3.91Å; F186-K190 HydrophobicContact CZ-CD 4.31Å; F186-K190 HydrophobicContact CZ-CG 3.92Å; F186-K190 PolarHBondContact O-N 3.01Å; F186-K190 VanDerWaalsContact O-N 3.11Å |
| 187 | L | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.7 | -38.9 | -180 | -69.4 | 176.4 | 0 | 0 | 0 | 112 | V103 L111 V113 V183 A184 S189 K190 G191 F192 | V103-L187 HydrophobicContact CB-CD2 4.42Å; V103-L187 HydrophobicContact CG1-CD1 4.3Å; V103-L187 HydrophobicContact CG2-CD2 3.84Å; L111-L187 HydrophobicContact CD1-CB 4.24Å; L111-L187 HydrophobicContact CD2-CB 4.08Å; L111-L187 HydrophobicContact CD2-CD1 4.35Å; V113-L187 HydrophobicContact CG2-CD1 3.54Å; V183-L187 HydrophobicContact CG1-CD1 4.02Å; V183-L187 HydrophobicContact CG1-CG 4.36Å; V183-L187 VanDerWaalsContact O-CG 3.31Å; V183-L187 WeakPolarHBondContact O-CG 3.48Å; V183-L187 PolarHBondContact O-N 3.46Å; A184-L187 PolarHBondContact O-N 3.34Å; L187-S189 VanDerWaalsContact C-N 3.33Å; L187-S189 PolarHBondContact O-N 3.04Å; L187-K190 PolarHBondContact O-N 3.08Å; L187-G191 PolarHBondContact O-N 2.9Å; L187-F192 HydrophobicContact CB-CB 4.43Å; L187-F192 HydrophobicContact CD2-CD2 3.83Å; L187-F192 HydrophobicContact CD2-CE2 4.48Å; L187-F192 PolarHBondContact O-N 3.12Å |
| 188 | L | 94.4 | Very high | 95 | Very high | 57 Ų | 57 | 51.2 Ų | 51.2 | 30% | 0.298 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 172.8 | -70.8 | 173 | 0 | 0 | 0 | 112 | I89 L111 A184 F186 K190 G191 | I89-L188 HydrophobicContact CB-CD2 4.2Å; I89-L188 HydrophobicContact CD1-CD1 4.21Å; L111-L188 HydrophobicContact CD1-CD1 4.41Å; L111-L188 HydrophobicContact CD1-CD2 3.77Å; L111-L188 HydrophobicContact CD1-CG 3.69Å; L111-L188 HydrophobicContact CG-CD2 4.48Å; A184-L188 VanDerWaalsContact O-CG 3.31Å; A184-L188 WeakPolarHBondContact O-CG 3.31Å; A184-L188 PolarHBondContact O-N 3.19Å; F186-L188 VanDerWaalsContact C-N 3.31Å; F186-L188 PolarHBondContact O-N 3.04Å; L188-K190 VanDerWaalsContact C-N 3.27Å; L188-K190 PolarHBondContact O-N 3.37Å; L188-G191 PolarHBondContact O-N 3.3Å |
| 189 | S | 93.9 | Very high | 95.2 | Very high | 80 Ų | 80 | 48.2 Ų | 48.2 | 56% | 0.559 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -64.3 | -32.3 | 178.8 | 78.4 | 0 | 0 | 0 | 0 | 113 | K185 F186 L187 G191 | K185-S189 PolarHBondContact O-N 3.37Å; F186-S189 WeakPolarHBondContact O-CB 3.49Å; F186-S189 PolarHBondContact O-N 3.32Å; F186-S189 VanDerWaalsContact O-N 3.08Å; F186-S189 PolarHBondContact O-OG 3.49Å; L187-S189 VanDerWaalsContact C-N 3.33Å; L187-S189 PolarHBondContact O-N 3.04Å; S189-G191 VanDerWaalsContact C-N 3.28Å |
| 190 | K | 94.4 | Very high | 95.2 | Very high | 61 Ų | 61 | 50.2 Ų | 50.2 | 27% | 0.265 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -8 | 173.2 | -65.2 | -71.8 | -166.7 | 159.9 | 0 | 113.1 | L95 S96 V99 D148 F186 L187 L188 F192 | L95-K190 CarbonylContact C-O 3.6Å; L95-K190 WeakPolarHBondContact CB-O 3.31Å; S96-K190 PolarHBondContact N-O 2.85Å; V99-K190 HydrophobicContact CG2-CD 4.14Å; D148-K190 IonicContact OD2-NZ 2.82Å; D148-K190 PolarHBondContact OD2-NZ 3.11Å; F186-K190 HydrophobicContact CD2-CG 4.41Å; F186-K190 HydrophobicContact CE1-CG 4.37Å; F186-K190 HydrophobicContact CE2-CD 4.25Å; F186-K190 HydrophobicContact CE2-CG 3.91Å; F186-K190 HydrophobicContact CZ-CD 4.31Å; F186-K190 HydrophobicContact CZ-CG 3.92Å; F186-K190 PolarHBondContact O-N 3.01Å; F186-K190 VanDerWaalsContact O-N 3.11Å; L187-K190 PolarHBondContact O-N 3.08Å; L188-K190 VanDerWaalsContact C-N 3.27Å; L188-K190 PolarHBondContact O-N 3.37Å; K190-F192 HydrophobicContact CB-CD2 3.72Å; K190-F192 HydrophobicContact CB-CE2 3.6Å; K190-F192 HydrophobicContact CG-CE2 4.36Å |
| 191 | G | 92.8 | Very high | 95.2 | Very high | 6 Ų | 6 | 47.9 Ų | 47.9 | 6% | 0.062 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 14.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | P91 N92 L187 L188 S189 | P91-G191 CarbonylContact C-O 3.57Å; P91-G191 WeakPolarHBondContact CA-O 3.25Å; N92-G191 PolarHBondContact N-O 3.26Å; L187-G191 PolarHBondContact O-N 2.9Å; L188-G191 PolarHBondContact O-N 3.3Å; S189-G191 VanDerWaalsContact C-N 3.28Å |
| 192 | F | 93.6 | Very high | 95.2 | Very high | 9 Ų | 9 | 41 Ų | 41 | 4% | 0.039 | 22% | 0.216 | C | C | . | . | trans | -77.9 | 0 | 178 | -63.3 | -60.5 | 0 | 0 | 0 | 113.8 | V99 Y101 V103 R105 L111 L187 K190 | V99-F192 HydrophobicContact CB-CZ 4.3Å; V99-F192 HydrophobicContact CG1-CZ 4.27Å; Y101-F192 HydrophobicContact CD2-CE2 4.06Å; Y101-F192 AromaticContact CD2-CZ 3.95Å; Y101-F192 HydrophobicContact CD2-CZ 3.95Å; Y101-F192 AromaticContact CE2-CE2 3.67Å; Y101-F192 HydrophobicContact CE2-CE2 3.67Å; Y101-F192 AromaticContact CE2-CZ 3.98Å; Y101-F192 HydrophobicContact CE2-CZ 3.98Å; Y101-F192 VanDerWaalsContact O-CZ 3.22Å; Y101-F192 WeakPolarHBondContact O-CZ 3.44Å; V103-F192 HydrophobicContact CB-CB 4.12Å; V103-F192 HydrophobicContact CB-CD1 4.31Å; V103-F192 HydrophobicContact CB-CD2 4.43Å; V103-F192 HydrophobicContact CB-CG 4.03Å; V103-F192 HydrophobicContact CG2-CD2 4.39Å; V103-F192 HydrophobicContact CG2-CG 4.45Å; R105-F192 PolarHBondContact NE-O 3.16Å; R105-F192 PolarHBondContact NE-OXT 3.4Å; R105-F192 PolarHBondContact NH2-O 3.13Å; L111-F192 HydrophobicContact CD2-CB 4.44Å; L187-F192 HydrophobicContact CB-CB 4.43Å; L187-F192 HydrophobicContact CD2-CD2 3.83Å; L187-F192 HydrophobicContact CD2-CE2 4.48Å; L187-F192 PolarHBondContact O-N 3.12Å; K190-F192 HydrophobicContact CB-CD2 3.72Å; K190-F192 HydrophobicContact CB-CE2 3.6Å; K190-F192 HydrophobicContact CG-CE2 4.36Å |
Retrieved 192 of 192 residues in 197 ms
(Link to these results)