| 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 | 37.8 | Very low | 54.4 | Low | 248 Ų | 248 | 138 Ų | 138 | 100% | 1.222 | 72% | 0.72 | S | S | * | * | 0 | 125 | 0 | -68.1 | 160.1 | 177.5 | 0 | 0 | 107.5 | |||||
| 2 | A | 39.3 | Very low | 54.6 | Low | 99 Ų | 99 | 135.1 Ų | 135.1 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | -104.1 | 129 | -177 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 3 | W | 45.4 | Very low | 54.7 | Low | 244 Ų | 244 | 133.5 Ų | 133.5 | 92% | 0.924 | 70% | 0.697 | S | S | * | * | trans | -72 | 132.7 | 167.7 | -77.7 | 74.7 | 0 | 0 | 0 | 109.2 | K5 | W3-K5 PolarHBondContact O-N 2.71Š| ||
| 4 | P | 54.3 | Low | 54.7 | Low | 108 Ų | 108 | 130.1 Ų | 130.1 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | trans | -66.7 | 128.9 | 176 | 27.7 | -33.2 | 0 | 0 | 0 | 109.8 | L6 | P4-L6 PolarHBondContact O-N 2.86Š| ||
| 5 | K | 58.6 | Low | 54.8 | Low | 208 Ų | 208 | 128.4 Ų | 128.4 | 90% | 0.904 | 69% | 0.686 | S | S | * | * | trans | -71.1 | 93.5 | 173.7 | -69.3 | -178.3 | 178.7 | 179.1 | 0 | 109.2 | W3 | W3-K5 PolarHBondContact O-N 2.71Š| ||
| 6 | L | 59.9 | Low | 54.6 | Low | 123 Ų | 123 | 134 Ų | 134 | 64% | 0.644 | 69% | 0.694 | S | S | * | * | trans | -56.7 | 136.8 | 172.8 | -72.4 | 169.7 | 0 | 0 | 0 | 110 | P4 A8 | P4-L6 PolarHBondContact O-N 2.86Å; L6-A8 PolarHBondContact O-N 3.2Å | ||
| 7 | P | 63.6 | Low | 54.5 | Low | 69 Ų | 69 | 133.2 Ų | 133.2 | 45% | 0.448 | 69% | 0.691 | S | S | . | * | trans | -69.9 | 135.3 | -176 | -12.2 | 26.1 | 0 | 0 | 0 | 110.9 | P9 W10 | P7-P9 VanDerWaalsContact C-N 3.33Å; P7-P9 HydrophobicContact CB-CG 4.25Å; P7-P9 VanDerWaalsContact O-N 3.09Å; P7-W10 WeakPolarHBondContact O-CB 3.4Å; P7-W10 PolarHBondContact O-N 3.12Å | ||
| 8 | A | 62.2 | Low | 54.5 | Low | 66 Ų | 66 | 132.4 Ų | 132.4 | 55% | 0.545 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -43.3 | -41.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | L6 W10 L11 L12 | L6-A8 PolarHBondContact O-N 3.2Å; A8-W10 PolarHBondContact O-N 2.8Å; A8-L11 PolarHBondContact O-N 3.04Å; A8-L11 VanDerWaalsContact O-N 3.12Å; A8-L12 PolarHBondContact O-N 3.4Å |
| 9 | P | 59.7 | Low | 54.7 | Low | 86 Ų | 86 | 131.1 Ų | 131.1 | 56% | 0.558 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -60.8 | -25.5 | 176.3 | 21.5 | -34.2 | 0 | 0 | 0 | 114.7 | P7 L13 | P7-P9 VanDerWaalsContact C-N 3.33Å; P7-P9 HydrophobicContact CB-CG 4.25Å; P7-P9 VanDerWaalsContact O-N 3.09Å; P9-L13 WeakPolarHBondContact O-CB 3.32Å; P9-L13 PolarHBondContact O-N 3.37Å |
| 10 | W | 59.3 | Low | 54.7 | Low | 166 Ų | 166 | 127.5 Ų | 127.5 | 63% | 0.629 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -75.7 | -33.6 | 175.2 | -67.4 | 78.1 | 0 | 0 | 0 | 112 | P7 A8 L12 L13 C14 | P7-W10 WeakPolarHBondContact O-CB 3.4Å; P7-W10 PolarHBondContact O-N 3.12Å; A8-W10 PolarHBondContact O-N 2.8Å; W10-L12 VanDerWaalsContact C-N 3.34Å; W10-L13 PolarHBondContact O-N 3.09Å; W10-C14 WeakPolarHBondContact O-CB 3.48Å; W10-C14 PolarHBondContact O-N 2.97Å; W10-C14 PolarHBondContact O-SG 3.47Å |
| 11 | L | 57.8 | Low | 54.9 | Low | 101 Ų | 101 | 127.1 Ų | 127.1 | 53% | 0.529 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -68.7 | -34.9 | 171.9 | -68.7 | 167.7 | 0 | 0 | 0 | 111.4 | A8 T15 | A8-L11 PolarHBondContact O-N 3.04Å; A8-L11 VanDerWaalsContact O-N 3.12Å; L11-T15 WeakPolarHBondContact O-CG2 3.45Å; L11-T15 PolarHBondContact O-N 3.09Å; L11-T15 VanDerWaalsContact O-N 3.09Å; L11-T15 PolarHBondContact O-OG1 2.95Å |
| 12 | L | 57.5 | Low | 56.2 | Low | 103 Ų | 103 | 119.2 Ų | 119.2 | 54% | 0.539 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -65.8 | -43.9 | 170.3 | -76.3 | 163.2 | 0 | 0 | 0 | 111.5 | A8 W10 C14 T15 W16 | A8-L12 PolarHBondContact O-N 3.4Å; W10-L12 VanDerWaalsContact C-N 3.34Å; L12-C14 PolarHBondContact O-N 3.18Å; L12-T15 WeakPolarHBondContact CA-OG1 3.36Å; L12-T15 PolarHBondContact O-N 3.14Å; L12-T15 PolarHBondContact O-OG1 3.39Å; L12-T15 VanDerWaalsContact O-OG1 3.04Å; L12-W16 WeakPolarHBondContact O-CB 3.49Å; L12-W16 PolarHBondContact O-N 3.45Å; L12-W16 VanDerWaalsContact O-N 3.09Å |
| 13 | L | 55.9 | Low | 58 | Low | 114 Ų | 114 | 117.6 Ų | 117.6 | 60% | 0.597 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63 | -42.5 | 176.8 | -158.1 | 72.9 | 0 | 0 | 0 | 112 | P9 W10 T15 W16 L17 | P9-L13 WeakPolarHBondContact O-CB 3.32Å; P9-L13 PolarHBondContact O-N 3.37Å; W10-L13 PolarHBondContact O-N 3.09Å; L13-T15 VanDerWaalsContact C-N 3.28Å; L13-T15 PolarHBondContact O-N 3.38Å; L13-W16 PolarHBondContact O-N 3.09Å; L13-W16 VanDerWaalsContact O-N 3.1Å; L13-L17 PolarHBondContact O-N 3.22Å |
| 14 | C | 54.3 | Low | 60 | Low | 86 Ų | 86 | 106.2 Ų | 106.2 | 58% | 0.581 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.2 | -22.5 | 175.4 | -70.2 | 0 | 0 | 0 | 0 | 114.3 | W10 L12 | W10-C14 WeakPolarHBondContact O-CB 3.48Å; W10-C14 PolarHBondContact O-N 2.97Å; W10-C14 PolarHBondContact O-SG 3.47Å; L12-C14 PolarHBondContact O-N 3.18Å |
| 15 | T | 56.8 | Low | 61.5 | Low | 105 Ų | 105 | 105.1 Ų | 105.1 | 64% | 0.644 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -91.9 | -2.3 | 172.7 | 46.8 | 0 | 0 | 0 | 0 | 113.2 | L11 L12 L13 | L11-T15 WeakPolarHBondContact O-CG2 3.45Å; L11-T15 PolarHBondContact O-N 3.09Å; L11-T15 VanDerWaalsContact O-N 3.09Å; L11-T15 PolarHBondContact O-OG1 2.95Å; L12-T15 WeakPolarHBondContact CA-OG1 3.36Å; L12-T15 PolarHBondContact O-N 3.14Å; L12-T15 PolarHBondContact O-OG1 3.39Å; L12-T15 VanDerWaalsContact O-OG1 3.04Å; L13-T15 VanDerWaalsContact C-N 3.28Å; L13-T15 PolarHBondContact O-N 3.38Å |
| 16 | W | 50.3 | Low | 63 | Low | 218 Ų | 218 | 95.3 Ų | 95.3 | 83% | 0.826 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -108.2 | -3.4 | 175.4 | -79 | 45.1 | 0 | 0 | 0 | 113.2 | L12 L13 | L12-W16 WeakPolarHBondContact O-CB 3.49Å; L12-W16 PolarHBondContact O-N 3.45Å; L12-W16 VanDerWaalsContact O-N 3.09Å; L13-W16 PolarHBondContact O-N 3.09Å; L13-W16 VanDerWaalsContact O-N 3.1Å |
| 17 | L | 53.7 | Low | 64.5 | Low | 120 Ų | 120 | 92.4 Ų | 92.4 | 63% | 0.628 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -65.6 | 128.1 | 158.4 | -86.4 | 128.6 | 0 | 0 | 0 | 108.7 | L13 A19 | L13-L17 PolarHBondContact O-N 3.22Å; L17-A19 PolarHBondContact O-N 3.12Å |
| 18 | P | 54.7 | Low | 65.9 | Low | 120 Ų | 120 | 90.7 Ų | 90.7 | 78% | 0.779 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 127.5 | 175.2 | 25.9 | -33.1 | 0 | 0 | 0 | 109.4 | G20 | P18-G20 PolarHBondContact O-N 3.05Š|
| 19 | A | 57.3 | Low | 67.1 | Low | 106 Ų | 106 | 92 Ų | 92 | 88% | 0.876 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -73.4 | 123.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L17 | L17-A19 PolarHBondContact O-N 3.12Š|
| 20 | G | 55.1 | Low | 68.6 | Low | 60 Ų | 60 | 93.2 Ų | 93.2 | 62% | 0.619 | 52% | 0.522 | S | S | * | . | S | Bend | trans | 94.2 | 125 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | P18 L22 | P18-G20 PolarHBondContact O-N 3.05Å; G20-L22 PolarHBondContact O-N 3.48Å |
| 21 | C | 59.5 | Low | 70 | Confident | 119 Ų | 119 | 89.5 Ų | 89.5 | 80% | 0.804 | 52% | 0.517 | S | S | * | . | trans | -66.6 | 114.3 | 155.8 | -61.7 | 0 | 0 | 0 | 0 | 107 | S23 | C21-S23 PolarHBondContact O-N 2.79Š| ||
| 22 | L | 65.6 | Low | 71.7 | Confident | 83 Ų | 83 | 88.3 Ų | 88.3 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | trans | -70.2 | 101.7 | 177.2 | -64 | 177.1 | 0 | 0 | 0 | 108.8 | G20 S50 D152 S154 | G20-L22 PolarHBondContact O-N 3.48Å; L22-S50 WeakPolarHBondContact CA-OG 3.41Å; L22-D152 WeakPolarHBondContact CB-OD1 3.27Å; L22-S154 WeakPolarHBondContact O-CB 3.49Å; L22-S154 PolarHBondContact O-OG 3.43Å | ||
| 23 | S | 76.4 | Confident | 73.5 | Confident | 64 Ų | 64 | 88.6 Ų | 88.6 | 45% | 0.448 | 50% | 0.503 | S | S | . | . | trans | -129.1 | 116 | -170.2 | 65.8 | 0 | 0 | 0 | 0 | 111.8 | C21 S50 S154 | C21-S23 PolarHBondContact O-N 2.79Å; S23-S50 PolarHBondContact N-OG 3.21Å; S23-S154 WeakPolarHBondContact CA-O 3.48Å | ||
| 24 | L | 86.6 | Confident | 75.3 | Confident | 6 Ų | 6 | 88.3 Ų | 88.3 | 3% | 0.031 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 129.3 | 166 | -178.4 | 64.2 | 0 | 0 | 0 | 108.8 | V26 I147 A149 D152 S154 G155 P157 | L24-V26 HydrophobicContact CG-CG2 4.4Å; L24-I147 HydrophobicContact CD1-CB 4.39Å; L24-I147 HydrophobicContact CD1-CG2 3.82Å; L24-I147 HydrophobicContact CD2-CB 4.32Å; L24-I147 HydrophobicContact CD2-CG2 4.19Å; L24-I147 WeakPolarHBondContact CD2-O 3.49Å; L24-A149 HydrophobicContact CD1-CB 4.39Å; L24-D152 HydrophobicContact CB-CB 4.03Å; L24-S154 PolarHBondContact N-O 2.84Å; L24-G155 WeakPolarHBondContact O-CA 3.4Å; L24-P157 HydrophobicContact CD2-CB 3.81Å |
| 25 | L | 87.6 | Confident | 77.2 | Confident | 85 Ų | 85 | 84.8 Ų | 84.8 | 45% | 0.445 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 123 | 169.9 | 177.3 | 66.3 | 0 | 0 | 0 | 109.2 | T27 Y47 T48 | L25-T27 HydrophobicContact CD2-CG2 4.14Å; L25-T27 HydrophobicContact CG-CG2 3.98Å; L25-Y47 WeakPolarHBondContact O-CA 3.36Å; L25-T48 PolarHBondContact N-O 3.05Å; L25-T48 PolarHBondContact O-N 2.89Å |
| 26 | V | 90.1 | Very high | 78.9 | Confident | 2 Ų | 2 | 82.7 Ų | 82.7 | 1% | 0.012 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 134 | 174.1 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | L24 I147 P157 K159 | L24-V26 HydrophobicContact CG-CG2 4.4Å; V26-I147 HydrophobicContact CB-CD1 4.41Å; V26-I147 HydrophobicContact CG1-CD1 3.82Å; V26-I147 HydrophobicContact CG2-CB 4.15Å; V26-I147 HydrophobicContact CG2-CD1 3.66Å; V26-I147 HydrophobicContact CG2-CG1 4.39Å; V26-P157 VanDerWaalsContact CG2-O 3.3Å; V26-P157 WeakPolarHBondContact CG2-O 3.45Å; V26-K159 HydrophobicContact CB-CG 4.03Å; V26-K159 HydrophobicContact CG1-CB 4.13Å; V26-K159 HydrophobicContact CG1-CG 3.93Å; V26-K159 WeakPolarHBondContact O-CG 3.43Å |
| 27 | T | 90 | Very high | 81 | Confident | 61 Ų | 61 | 73.9 Ų | 73.9 | 37% | 0.374 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 140 | -175.5 | 63.4 | 0 | 0 | 0 | 0 | 110.7 | L25 D46 | L25-T27 HydrophobicContact CD2-CG2 4.14Å; L25-T27 HydrophobicContact CG-CG2 3.98Å; T27-D46 WeakPolarHBondContact CA-O 3.43Å; T27-D46 PolarHBondContact N-O 3.35Å; T27-D46 PolarHBondContact O-N 2.92Å; T27-D46 VanDerWaalsContact O-O 3.08Å; T27-D46 WeakPolarHBondContact OG1-CB 3.38Å; T27-D46 PolarHBondContact OG1-O 2.93Å |
| 28 | V | 92.5 | Very high | 82.7 | Confident | 33 Ų | 33 | 75.3 Ų | 75.3 | 20% | 0.2 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.9 | -175.5 | 159 | 0 | 0 | 0 | 0 | 107.9 | H30 T31 K159 V161 | V28-H30 VanDerWaalsContact CG1-C 3.49Å; V28-H30 VanDerWaalsContact CG1-O 3.22Å; V28-H30 WeakPolarHBondContact CG1-O 3.48Å; V28-T31 HydrophobicContact CG1-CG2 4.31Å; V28-K159 HydrophobicContact CG2-CB 3.66Å; V28-V161 HydrophobicContact CG1-CG2 3.76Å; V28-V161 HydrophobicContact CG2-CG2 3.95Å |
| 29 | Q | 87.6 | Confident | 84.5 | Confident | 94 Ų | 94 | 71 Ų | 71 | 44% | 0.439 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -75.5 | -30.1 | -176.6 | -60.4 | -173.7 | 15 | 0 | 0 | 112.4 | K44 D46 | Q29-K44 HydrophobicContact CB-CB 4.31Å; Q29-K44 HydrophobicContact CB-CD 4.3Å; Q29-K44 VanDerWaalsContact CD-CD 3.43Å; Q29-K44 HydrophobicContact CG-CB 4.3Å; Q29-K44 HydrophobicContact CG-CD 4.22Å; Q29-D46 PolarHBondContact NE2-OD2 3.31Å |
| 30 | H | 90.9 | Very high | 86.3 | Confident | 112 Ų | 112 | 69.9 Ų | 69.9 | 52% | 0.519 | 39% | 0.388 | S | S | . | . | trans | -141.5 | 114.9 | 178.6 | -59.2 | -42.4 | 0 | 0 | 0 | 109.9 | V28 E32 | V28-H30 VanDerWaalsContact CG1-C 3.49Å; V28-H30 VanDerWaalsContact CG1-O 3.22Å; V28-H30 WeakPolarHBondContact CG1-O 3.48Å; H30-E32 VanDerWaalsContact C-N 3.35Å | ||
| 31 | T | 90.5 | Very high | 88.2 | Confident | 88 Ų | 88 | 67.2 Ų | 67.2 | 54% | 0.54 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -75.6 | -20.9 | 178.7 | 47.1 | 0 | 0 | 0 | 0 | 113.4 | V28 V161 K162 | V28-T31 HydrophobicContact CG1-CG2 4.31Å; T31-V161 CarbonylContact O-C 3.52Å; T31-K162 PolarHBondContact O-N 2.85Å |
| 32 | E | 93.1 | Very high | 89.9 | Confident | 76 Ų | 76 | 64.6 Ų | 64.6 | 36% | 0.355 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 138.5 | 175.4 | -55.3 | -161.7 | 161.4 | 0 | 0 | 111.1 | H30 Y34 K162 I164 | H30-E32 VanDerWaalsContact C-N 3.35Å; E32-Y34 HydrophobicContact CB-CE2 4.3Å; E32-Y34 PolarHBondContact OE2-OH 3.18Å; E32-K162 CarbonylContact C-O 3.55Å; E32-K162 HydrophobicContact CG-CB 4.26Å; E32-K162 HydrophobicContact CG-CD 4.04Å; E32-K162 HydrophobicContact CG-CG 4.39Å; E32-K162 WeakPolarHBondContact OE1-CD 3.42Å; E32-K162 WeakPolarHBondContact OE1-CE 3.4Å; E32-K162 IonicContact OE1-NZ 3.17Å; E32-K162 PolarHBondContact OE1-NZ 2.8Å; E32-I164 HydrophobicContact CB-CD1 4.16Å |
| 33 | R | 94.8 | Very high | 91.3 | Very high | 108 Ų | 108 | 60.8 Ų | 60.8 | 41% | 0.408 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 117.4 | -179.4 | -163.7 | 70.6 | -178.3 | 87.8 | -4.2 | 111.8 | V35 V41 L43 K162 I164 | R33-V35 HydrophobicContact CG-CG2 4.15Å; R33-V41 HydrophobicContact CG-CG2 3.86Å; R33-L43 HydrophobicContact CB-CD2 4.36Å; R33-L43 HydrophobicContact CG-CD2 4.49Å; R33-K162 PolarHBondContact N-O 2.78Å; R33-I164 PolarHBondContact O-N 3.02Å |
| 34 | Y | 93.9 | Very high | 92.2 | Very high | 108 Ų | 108 | 61.6 Ų | 61.6 | 42% | 0.424 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 133 | 176 | -60.3 | -92 | 0 | 0 | 0 | 111.1 | E32 I164 L166 | E32-Y34 HydrophobicContact CB-CE2 4.3Å; E32-Y34 PolarHBondContact OE2-OH 3.18Å; Y34-I164 WeakPolarHBondContact CA-O 3.36Å; Y34-I164 HydrophobicContact CD1-CB 3.69Å; Y34-I164 HydrophobicContact CD1-CD1 4.39Å; Y34-I164 HydrophobicContact CD1-CG1 4.35Å; Y34-I164 HydrophobicContact CD1-CG2 3.86Å; Y34-I164 HydrophobicContact CE1-CB 3.75Å; Y34-I164 HydrophobicContact CE1-CD1 3.99Å; Y34-I164 HydrophobicContact CE1-CG1 3.94Å; Y34-I164 HydrophobicContact CE1-CG2 3.81Å; Y34-I164 HydrophobicContact CE2-CD1 4.24Å; Y34-I164 HydrophobicContact CG-CB 4.43Å; Y34-L166 HydrophobicContact CD1-CD2 4.29Å |
| 35 | V | 94.4 | Very high | 92.6 | Very high | 13 Ų | 13 | 61.3 Ų | 61.3 | 8% | 0.079 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 150.4 | -174.1 | -170.9 | 0 | 0 | 0 | 0 | 110.5 | R33 A39 V41 V135 L163 I164 V165 L166 | R33-V35 HydrophobicContact CG-CG2 4.15Å; V35-A39 HydrophobicContact CG1-CB 3.89Å; V35-V41 HydrophobicContact CG1-CB 4.34Å; V35-V41 HydrophobicContact CG2-CB 3.9Å; V35-V41 HydrophobicContact CG2-CG2 3.64Å; V35-V135 HydrophobicContact CG1-CB 4.3Å; V35-V135 HydrophobicContact CG1-CG1 4.29Å; V35-V135 HydrophobicContact CG1-CG2 4.16Å; V35-L163 HydrophobicContact CB-CD1 4.17Å; V35-L163 HydrophobicContact CG2-CD1 3.5Å; V35-I164 PolarHBondContact N-O 3.28Å; V35-V165 CarbonylContact O-C 3.54Å; V35-V165 WeakPolarHBondContact O-CA 3.5Å; V35-L166 PolarHBondContact O-N 3.39Å |
| 36 | T | 93.3 | Very high | 92.9 | Very high | 61 Ų | 61 | 59.8 Ų | 59.8 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | trans | -94.5 | 162.4 | 173.1 | 53.9 | 0 | 0 | 0 | 0 | 112 | A39 | T36-A39 WeakPolarHBondContact O-CB 3.47Å; T36-A39 PolarHBondContact O-N 3.1Å | ||
| 37 | L | 92.6 | Very high | 92.9 | Very high | 33 Ų | 33 | 60.6 Ų | 60.6 | 17% | 0.173 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 146 | 171.4 | -62.2 | 178.9 | 0 | 0 | 0 | 111.8 | A39 W137 V165 H167 T170 | L37-A39 PolarHBondContact O-N 3.21Å; L37-W137 HydrophobicContact CD2-CB 3.88Å; L37-V165 HydrophobicContact CD2-CG1 3.58Å; L37-V165 HydrophobicContact CG-CG1 4.41Å; L37-H167 HydrophobicContact CD1-CB 4.04Å; L37-H167 HydrophobicContact CD2-CB 4.07Å; L37-H167 HydrophobicContact CG-CB 4.08Å; L37-T170 HydrophobicContact CB-CG2 4.23Å; L37-T170 HydrophobicContact CD1-CG2 4.49Å; L37-T170 HydrophobicContact CG-CG2 4.28Å |
| 38 | F | 90.9 | Very high | 92.9 | Very high | 149 Ų | 149 | 61.8 Ų | 61.8 | 65% | 0.654 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 4.5 | 179.9 | -45.2 | -74.7 | 0 | 0 | 0 | 116.1 | V135 M136 | F38-V135 PolarHBondContact N-O 3.15Å; F38-M136 HydrophobicContact CD1-CE 3.8Å; F38-M136 HydrophobicContact CD1-SD 3.95Å; F38-M136 HydrophobicContact CE1-CE 3.74Å; F38-M136 HydrophobicContact CE1-SD 3.55Å; F38-M136 VanDerWaalsContact CE1-SD 3.55Å; F38-M136 HydrophobicContact CZ-SD 4.43Å |
| 39 | A | 92.6 | Very high | 92.7 | Very high | 30 Ų | 30 | 61.8 Ų | 61.8 | 25% | 0.248 | 32% | 0.317 | C | S | . | . | trans | -79.3 | 160.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V35 T36 L37 V135 | V35-A39 HydrophobicContact CG1-CB 3.89Å; T36-A39 WeakPolarHBondContact O-CB 3.47Å; T36-A39 PolarHBondContact O-N 3.1Å; L37-A39 PolarHBondContact O-N 3.21Å; A39-V135 WeakPolarHBondContact O-CB 3.43Å; A39-V135 WeakPolarHBondContact O-CG2 3.32Å; A39-V135 PolarHBondContact O-N 3.36Å | ||
| 40 | S | 94.3 | Very high | 92.6 | Very high | 82 Ų | 82 | 60.4 Ų | 60.4 | 57% | 0.573 | 32% | 0.318 | S | S | * | . | trans | -91 | 146.4 | 169.5 | 57.1 | 0 | 0 | 0 | 0 | 111.4 | I132 N133 | S40-I132 CarbonylContact C-O 3.59Å; S40-I132 VanDerWaalsContact CA-O 3.31Å; S40-I132 WeakPolarHBondContact CA-O 3.47Å; S40-N133 WeakPolarHBondContact CA-O 3.22Å; S40-N133 WeakPolarHBondContact CB-O 3.32Å | ||
| 41 | V | 95.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.03 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 146.5 | 175.3 | 68.2 | 0 | 0 | 0 | 0 | 111.4 | R33 V35 L43 V131 I132 V135 L163 | R33-V41 HydrophobicContact CG-CG2 3.86Å; V35-V41 HydrophobicContact CG1-CB 4.34Å; V35-V41 HydrophobicContact CG2-CB 3.9Å; V35-V41 HydrophobicContact CG2-CG2 3.64Å; V41-L43 HydrophobicContact CG2-CD2 3.89Å; V41-V131 WeakPolarHBondContact O-CA 3Å; V41-I132 HydrophobicContact CG1-CB 3.96Å; V41-I132 HydrophobicContact CG1-CD1 4.35Å; V41-I132 PolarHBondContact N-O 3.43Å; V41-I132 PolarHBondContact O-N 3.41Å; V41-V135 HydrophobicContact CB-CG2 4.23Å; V41-V135 HydrophobicContact CG1-CG2 3.5Å; V41-L163 HydrophobicContact CG1-CD1 4.37Å; V41-L163 HydrophobicContact CG1-CD2 4.26Å; V41-L163 HydrophobicContact CG2-CD1 4.37Å |
| 42 | V | 95.2 | Very high | 91.8 | Very high | 63 Ų | 63 | 58 Ų | 58 | 38% | 0.382 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 119.7 | 166.9 | -175.4 | 0 | 0 | 0 | 0 | 107.9 | K44 D129 L130 V131 | V42-K44 HydrophobicContact CG1-CG 4.15Å; V42-D129 HydrophobicContact CG1-CB 4Å; V42-L130 CarbonylContact C-O 3.51Å; V42-L130 WeakPolarHBondContact CA-O 3.43Å; V42-V131 HydrophobicContact CG1-CG2 4.14Å; V42-V131 HydrophobicContact CG2-CG1 4.31Å; V42-V131 HydrophobicContact CG2-CG2 3.98Å |
| 43 | L | 95.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 113.1 | 167.5 | -50.3 | -173.4 | 0 | 0 | 0 | 107.3 | R33 V41 W60 L130 Y143 V161 L163 | R33-L43 HydrophobicContact CB-CD2 4.36Å; R33-L43 HydrophobicContact CG-CD2 4.49Å; V41-L43 HydrophobicContact CG2-CD2 3.89Å; L43-W60 HydrophobicContact CB-CH2 3.74Å; L43-W60 HydrophobicContact CB-CZ2 4.4Å; L43-W60 HydrophobicContact CB-CZ3 4.18Å; L43-W60 HydrophobicContact CD1-CZ3 4.21Å; L43-L130 HydrophobicContact CB-CB 4.35Å; L43-L130 HydrophobicContact CD1-CD2 4.28Å; L43-L130 PolarHBondContact N-O 2.83Å; L43-L130 PolarHBondContact O-N 2.77Å; L43-Y143 HydrophobicContact CD1-CD1 3.76Å; L43-Y143 HydrophobicContact CD1-CD2 3.9Å; L43-Y143 HydrophobicContact CD1-CE1 4.41Å; L43-Y143 HydrophobicContact CD1-CG 3.47Å; L43-Y143 VanDerWaalsContact CD1-CG 3.47Å; L43-V161 HydrophobicContact CB-CG1 4.33Å; L43-V161 HydrophobicContact CD1-CG1 4.3Å; L43-V161 HydrophobicContact CD2-CG1 3.98Å; L43-V161 HydrophobicContact CG-CG1 4.43Å; L43-L163 HydrophobicContact CD2-CD1 4.37Å |
| 44 | K | 94.9 | Very high | 90.9 | Very high | 81 Ų | 81 | 57.6 Ų | 57.6 | 35% | 0.352 | 31% | 0.309 | S | S | . | . | trans | -86.2 | 134.1 | -173.1 | -71.1 | -171.2 | 177.5 | 178.4 | 0 | 112.6 | Q29 V42 D129 | Q29-K44 HydrophobicContact CB-CB 4.31Å; Q29-K44 HydrophobicContact CB-CD 4.3Å; Q29-K44 VanDerWaalsContact CD-CD 3.43Å; Q29-K44 HydrophobicContact CG-CB 4.3Å; Q29-K44 HydrophobicContact CG-CD 4.22Å; V42-K44 HydrophobicContact CG1-CG 4.15Å; K44-D129 WeakPolarHBondContact CA-OD1 3Å | ||
| 45 | C | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 119.1 | 177.6 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | W60 A128 D129 C145 | C45-W60 HydrophobicContact CB-CH2 4.02Å; C45-W60 HydrophobicContact CB-CZ2 3.52Å; C45-A128 HydrophobicContact CB-CB 4.15Å; C45-A128 WeakPolarHBondContact O-CB 3.44Å; C45-D129 PolarHBondContact N-OD1 3.38Å; C45-C145 HydrophobicContact CB-CB 3.76Å; C45-C145 WeakPolarHBondContact CB-SG 3.39Å; C45-C145 WeakPolarHBondContact SG-CB 3.47Å; C45-C145 CovalentContact SG-SG 2.03Å; C45-C145 PolarHBondContact SG-SG 3.11Å |
| 46 | D | 93.6 | Very high | 90.4 | Very high | 54 Ų | 54 | 55.2 Ų | 55.2 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 132.2 | 176.9 | -77.9 | -68.3 | 0 | 0 | 0 | 108.9 | T27 Q29 | T27-D46 WeakPolarHBondContact CA-O 3.43Å; T27-D46 PolarHBondContact N-O 3.35Å; T27-D46 PolarHBondContact O-N 2.92Å; T27-D46 VanDerWaalsContact O-O 3.08Å; T27-D46 WeakPolarHBondContact OG1-CB 3.38Å; T27-D46 PolarHBondContact OG1-O 2.93Å; Q29-D46 PolarHBondContact NE2-OD2 3.31Å |
| 47 | Y | 91.4 | Very high | 90.4 | Very high | 19 Ų | 19 | 53.4 Ų | 53.4 | 8% | 0.075 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 148.8 | 177.4 | 67.9 | -91.5 | 0 | 0 | 0 | 111.9 | L25 T49 L53 V56 V58 R127 A128 I147 | L25-Y47 WeakPolarHBondContact O-CA 3.36Å; Y47-T49 HydrophobicContact CD2-CG2 3.84Å; Y47-T49 HydrophobicContact CE2-CG2 3.72Å; Y47-L53 HydrophobicContact CE2-CD2 4.17Å; Y47-V56 HydrophobicContact CE2-CG1 3.89Å; Y47-V58 HydrophobicContact CD1-CG2 4.48Å; Y47-V58 HydrophobicContact CE1-CG2 3.76Å; Y47-R127 HydrophobicContact CE1-CB 3.96Å; Y47-A128 HydrophobicContact CD1-CB 3.87Å; Y47-A128 HydrophobicContact CE1-CB 3.89Å; Y47-I147 HydrophobicContact CD1-CD1 4.22Å; Y47-I147 HydrophobicContact CD1-CG1 3.94Å; Y47-I147 HydrophobicContact CD2-CG2 4.32Å; Y47-I147 HydrophobicContact CE1-CG1 4.48Å; Y47-I147 HydrophobicContact CG-CD1 4.39Å; Y47-I147 HydrophobicContact CG-CG1 4.06Å; Y47-I147 HydrophobicContact CG-CG2 4.45Å |
| 48 | T | 89.3 | Confident | 90.5 | Very high | 85 Ų | 85 | 52 Ų | 52 | 52% | 0.521 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 135.4 | 169.8 | 56.1 | 0 | 0 | 0 | 0 | 109.8 | L25 | L25-T48 PolarHBondContact N-O 3.05Å; L25-T48 PolarHBondContact O-N 2.89Å |
| 49 | T | 87.9 | Confident | 90.7 | Very high | 34 Ų | 34 | 44.9 Ų | 44.9 | 21% | 0.209 | 25% | 0.253 | C | S | . | . | trans | -148.4 | 145.9 | -172 | 173.9 | 0 | 0 | 0 | 0 | 108.6 | Y47 A51 L53 V56 D152 | Y47-T49 HydrophobicContact CD2-CG2 3.84Å; Y47-T49 HydrophobicContact CE2-CG2 3.72Å; T49-A51 WeakPolarHBondContact OG1-CB 3.43Å; T49-A51 PolarHBondContact OG1-N 2.93Å; T49-L53 HydrophobicContact CG2-CD2 4.08Å; T49-V56 HydrophobicContact CG2-CG2 4.3Å; T49-D152 WeakPolarHBondContact CA-OD2 3.38Å; T49-D152 WeakPolarHBondContact CB-OD2 3.46Å; T49-D152 PolarHBondContact OG1-OD2 2.93Å | ||
| 50 | S | 84.6 | Confident | 90.9 | Very high | 65 Ų | 65 | 43.4 Ų | 43.4 | 46% | 0.455 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -85.5 | -16.4 | 169.7 | 20.7 | 0 | 0 | 0 | 0 | 112.9 | L22 S23 D152 | L22-S50 WeakPolarHBondContact CA-OG 3.41Å; S23-S50 PolarHBondContact N-OG 3.21Å; S50-D152 PolarHBondContact N-OD2 2.94Å; S50-D152 PolarHBondContact OG-OD1 3.17Å; S50-D152 PolarHBondContact OG-OD2 3.31Å |
| 51 | A | 82.2 | Confident | 90.9 | Very high | 18 Ų | 18 | 42.6 Ų | 42.6 | 15% | 0.149 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -74.7 | 165.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T49 L53 A149 P150 D152 | T49-A51 WeakPolarHBondContact OG1-CB 3.43Å; T49-A51 PolarHBondContact OG1-N 2.93Å; A51-L53 PolarHBondContact O-N 2.83Å; A51-A149 HydrophobicContact CB-CB 4.15Å; A51-P150 WeakPolarHBondContact CB-O 3.21Å; A51-D152 PolarHBondContact N-OD2 2.93Å |
| 52 | Q | 84.4 | Confident | 90.9 | Very high | 131 Ų | 131 | 42.5 Ų | 42.5 | 61% | 0.612 | 23% | 0.225 | S | C | * | . | trans | -73.4 | 120.1 | -178.2 | -171 | 65.4 | 31.5 | 0 | 0 | 112 | Q54 D55 | Q52-Q54 PolarHBondContact O-N 2.96Å; Q52-D55 PolarHBondContact O-N 2.86Å; Q52-D55 VanDerWaalsContact O-N 3.12Å | ||
| 53 | L | 83.8 | Confident | 90.9 | Very high | 90 Ų | 90 | 40.9 Ų | 40.9 | 47% | 0.471 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -15.9 | -173.3 | -69.1 | 172.1 | 0 | 0 | 0 | 116.3 | Y47 T49 A51 G107 | Y47-L53 HydrophobicContact CE2-CD2 4.17Å; T49-L53 HydrophobicContact CG2-CD2 4.08Å; A51-L53 PolarHBondContact O-N 2.83Å; L53-G107 WeakPolarHBondContact O-CA 3.29Å |
| 54 | Q | 83.6 | Confident | 90.9 | Very high | 85 Ų | 85 | 42 Ų | 42 | 40% | 0.397 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -28.3 | 177 | -80.3 | 72.4 | 27.9 | 0 | 0 | 113.6 | Q52 G107 | Q52-Q54 PolarHBondContact O-N 2.96Å; Q54-G107 WeakPolarHBondContact O-CA 3.41Å |
| 55 | D | 86.3 | Confident | 90.8 | Very high | 71 Ų | 71 | 39 Ų | 39 | 38% | 0.38 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -6.7 | -175.8 | -80.1 | -63.7 | 0 | 0 | 0 | 114.5 | Q52 V57 R106 P150 | Q52-D55 PolarHBondContact O-N 2.86Å; Q52-D55 VanDerWaalsContact O-N 3.12Å; D55-V57 PolarHBondContact O-N 2.86Å; D55-R106 IonicContact OD1-CZ 3.55Å; D55-R106 IonicContact OD1-NE 3.55Å; D55-R106 IonicContact OD1-NH2 2.71Å; D55-R106 PolarHBondContact OD1-NH2 2.74Å; D55-P150 HydrophobicContact CB-CG 3.81Å |
| 56 | V | 91.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -61.5 | 128.3 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | Y47 T49 G107 I147 A149 | Y47-V56 HydrophobicContact CE2-CG1 3.89Å; T49-V56 HydrophobicContact CG2-CG2 4.3Å; V56-G107 PolarHBondContact O-N 2.99Å; V56-I147 HydrophobicContact CG1-CG2 3.52Å; V56-A149 HydrophobicContact CG1-CB 4.36Å; V56-A149 HydrophobicContact CG2-CB 4.11Å | ||
| 57 | V | 93.2 | Very high | 90.6 | Very high | 23 Ų | 23 | 41 Ų | 41 | 14% | 0.139 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 115.2 | 176.3 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | D55 Q104 R105 R106 I147 E148 | D55-V57 PolarHBondContact O-N 2.86Å; V57-Q104 HydrophobicContact CG1-CG 3.73Å; V57-R105 WeakPolarHBondContact CA-O 3.36Å; V57-R106 HydrophobicContact CG2-CB 4.16Å; V57-R106 HydrophobicContact CG2-CG 3.91Å; V57-I147 WeakPolarHBondContact O-CA 3.37Å; V57-E148 HydrophobicContact CB-CB 4.29Å; V57-E148 PolarHBondContact N-O 3.31Å; V57-E148 PolarHBondContact O-N 3.29Å |
| 58 | V | 94.6 | Very high | 90.6 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 120.3 | 169.6 | -178 | 0 | 0 | 0 | 0 | 107.9 | Y47 Q104 R105 A128 I147 | Y47-V58 HydrophobicContact CD1-CG2 4.48Å; Y47-V58 HydrophobicContact CE1-CG2 3.76Å; V58-Q104 CarbonylContact O-C 3.55Å; V58-Q104 WeakPolarHBondContact O-CA 3.29Å; V58-R105 PolarHBondContact N-O 2.88Å; V58-R105 PolarHBondContact O-N 3.14Å; V58-A128 HydrophobicContact CG1-CB 3.65Å; V58-A128 HydrophobicContact CG2-CB 4.06Å; V58-I147 HydrophobicContact CG1-CG1 4.42Å; V58-I147 HydrophobicContact CG2-CG1 4.08Å |
| 59 | T | 95.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 132.4 | 174.6 | -48.7 | 0 | 0 | 0 | 0 | 109.6 | R61 I101 Q104 T146 | T59-R61 HydrophobicContact CG2-CG 4.1Å; T59-I101 HydrophobicContact CG2-CG2 3.86Å; T59-Q104 HydrophobicContact CG2-CB 4.33Å; T59-Q104 HydrophobicContact CG2-CG 4.36Å; T59-Q104 PolarHBondContact OG1-NE2 3.24Å; T59-T146 WeakPolarHBondContact CB-OG1 3.35Å; T59-T146 PolarHBondContact N-O 3.36Å; T59-T146 PolarHBondContact O-N 2.68Å; T59-T146 VanDerWaalsContact O-O 3.11Å; T59-T146 PolarHBondContact O-OG1 3.43Å |
| 60 | W | 96.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 119.6 | 171 | -82 | 93.2 | 0 | 0 | 0 | 110.1 | L43 C45 V102 A103 A128 L130 Y144 C145 V161 | L43-W60 HydrophobicContact CB-CH2 3.74Å; L43-W60 HydrophobicContact CB-CZ2 4.4Å; L43-W60 HydrophobicContact CB-CZ3 4.18Å; L43-W60 HydrophobicContact CD1-CZ3 4.21Å; C45-W60 HydrophobicContact CB-CH2 4.02Å; C45-W60 HydrophobicContact CB-CZ2 3.52Å; W60-V102 HydrophobicContact CB-CB 4.41Å; W60-V102 PolarHBondContact O-N 2.86Å; W60-A103 PolarHBondContact N-O 3.49Å; W60-A128 WeakPolarHBondContact CZ2-O 3.45Å; W60-A128 PolarHBondContact NE1-O 3.07Å; W60-L130 HydrophobicContact CB-CD1 4.34Å; W60-L130 HydrophobicContact CB-CD2 4.2Å; W60-L130 HydrophobicContact CD2-CB 3.8Å; W60-L130 HydrophobicContact CD2-CD2 3.98Å; W60-L130 HydrophobicContact CD2-CG 4.37Å; W60-L130 HydrophobicContact CE3-CB 4.39Å; W60-L130 HydrophobicContact CE3-CD2 4.11Å; W60-L130 HydrophobicContact CG-CB 4.08Å; W60-L130 HydrophobicContact CG-CD1 4.13Å; W60-L130 HydrophobicContact CG-CD2 4.05Å; W60-L130 HydrophobicContact CG-CG 4.32Å; W60-L130 HydrophobicContact CH2-CB 4.38Å; W60-L130 HydrophobicContact CZ2-CB 3.81Å; W60-Y144 WeakPolarHBondContact CA-O 3.47Å; W60-C145 HydrophobicContact CD2-CB 4.2Å; W60-C145 HydrophobicContact CE3-CB 4.09Å; W60-C145 HydrophobicContact CH2-CB 3.67Å; W60-C145 HydrophobicContact CZ2-CB 3.74Å; W60-C145 HydrophobicContact CZ3-CB 3.82Å; W60-V161 HydrophobicContact CH2-CG2 4.18Å; W60-V161 HydrophobicContact CZ3-CG2 4.21Å |
| 61 | R | 95.2 | Very high | 91 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 25% | 0.245 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 117.1 | -177.1 | -59.6 | 176.3 | 177.7 | 135.2 | 5.8 | 109.1 | T59 R100 Y144 T146 E148 D158 | T59-R61 HydrophobicContact CG2-CG 4.1Å; R61-R100 CarbonylContact C-O 3.55Å; R61-R100 WeakPolarHBondContact CA-O 3.34Å; R61-Y144 PolarHBondContact N-O 3.49Å; R61-Y144 PolarHBondContact O-N 3.05Å; R61-T146 HydrophobicContact CG-CG2 4.32Å; R61-T146 VanDerWaalsContact CZ-OG1 3.27Å; R61-T146 VanDerWaalsContact NH1-CB 3.35Å; R61-T146 PolarHBondContact NH1-OG1 3.31Å; R61-E148 IonicContact CZ-OE1 3.52Å; R61-E148 IonicContact NH1-OE1 2.7Å; R61-E148 IonicContact NH2-OE1 3.15Å; R61-E148 PolarHBondContact NH2-OE1 3.03Å; R61-D158 IonicContact NH1-OD2 2.68Å |
| 62 | F | 95.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 136.2 | 170.4 | 171 | -94 | 0 | 0 | 0 | 109.4 | V99 R100 V102 Y143 | F62-V99 CarbonylContact O-C 3.52Å; F62-V99 WeakPolarHBondContact O-CA 3.37Å; F62-R100 HydrophobicContact CB-CB 4.48Å; F62-R100 HydrophobicContact CD1-CB 4.42Å; F62-R100 PolarHBondContact N-O 3.04Å; F62-R100 PolarHBondContact O-N 3Å; F62-V102 HydrophobicContact CB-CG2 3.5Å; F62-V102 VanDerWaalsContact CB-CG2 3.5Å; F62-Y143 HydrophobicContact CB-CE1 4.47Å; F62-Y143 HydrophobicContact CD2-CD2 4.24Å; F62-Y143 HydrophobicContact CD2-CE1 4.13Å; F62-Y143 AromaticContact CD2-CE2 3.62Å; F62-Y143 HydrophobicContact CD2-CE2 3.62Å; F62-Y143 AromaticContact CD2-CZ 3.57Å; F62-Y143 HydrophobicContact CE2-CE2 4.03Å |
| 63 | K | 94.9 | Very high | 91.7 | Very high | 29 Ų | 29 | 42.4 Ų | 42.4 | 13% | 0.126 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132.1 | 166.4 | -53.4 | -160.8 | -171.5 | -174.2 | 0 | 108.6 | D94 E98 V99 V142 Y144 | K63-D94 VanDerWaalsContact NZ-CG 3.25Å; K63-D94 IonicContact NZ-OD1 3.74Å; K63-D94 PolarHBondContact NZ-OD1 2.96Å; K63-D94 IonicContact NZ-OD2 3Å; K63-D94 PolarHBondContact NZ-OD2 3.23Å; K63-E98 CarbonylContact C-O 3.37Å; K63-E98 VanDerWaalsContact CA-O 3.29Å; K63-E98 WeakPolarHBondContact CA-O 3.44Å; K63-V99 HydrophobicContact CB-CG2 4.49Å; K63-V99 HydrophobicContact CD-CG2 4.17Å; K63-V99 HydrophobicContact CG-CG1 4.28Å; K63-V99 HydrophobicContact CG-CG2 4.06Å; K63-V142 PolarHBondContact N-O 2.94Å; K63-V142 PolarHBondContact O-N 3.41Å; K63-Y144 HydrophobicContact CD-CD2 3.94Å; K63-Y144 HydrophobicContact CD-CE2 3.62Å; K63-Y144 HydrophobicContact CG-CD2 3.92Å; K63-Y144 HydrophobicContact CG-CE2 4Å |
| 64 | S | 94.6 | Very high | 92 | Very high | 27 Ų | 27 | 47.7 Ų | 47.7 | 19% | 0.189 | 22% | 0.223 | C | C | . | . | trans | -64.4 | 152.6 | 171.7 | 69.4 | 0 | 0 | 0 | 0 | 110.5 | R97 E98 | S64-R97 VanDerWaalsContact O-CD 3.29Å; S64-R97 WeakPolarHBondContact O-CD 3.45Å; S64-R97 WeakPolarHBondContact OG-CB 3.36Å; S64-E98 PolarHBondContact N-O 2.7Å; S64-E98 PolarHBondContact OG-N 2.9Å | ||
| 65 | F | 94.1 | Very high | 92.5 | Very high | 19 Ų | 19 | 45.3 Ų | 45.3 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | trans | -63 | 151.7 | 174.3 | -68.9 | -72.9 | 0 | 0 | 0 | 111.5 | P69 H140 G141 V142 K162 I164 | F65-P69 HydrophobicContact CD1-CG 4.35Å; F65-P69 HydrophobicContact CE1-CG 4.06Å; F65-P69 HydrophobicContact CE2-CG 4.38Å; F65-P69 HydrophobicContact CZ-CG 4.08Å; F65-H140 AromaticContact CD2-CE1 3.37Å; F65-H140 WeakPolarHBondContact CD2-CE1 3.2Å; F65-H140 AromaticContact CD2-ND1 3.33Å; F65-H140 VanDerWaalsContact CD2-ND1 3.33Å; F65-H140 WeakPolarHBondContact CD2-ND1 3.02Å; F65-H140 AromaticContact CE2-CD2 4Å; F65-H140 AromaticContact CE2-CE1 3.47Å; F65-H140 VanDerWaalsContact CE2-CE1 3.47Å; F65-H140 WeakPolarHBondContact CE2-CE1 3.4Å; F65-H140 AromaticContact CE2-CG 3.85Å; F65-H140 AromaticContact CE2-ND1 3.54Å; F65-H140 AromaticContact CE2-NE2 3.75Å; F65-G141 WeakPolarHBondContact CZ-O 3.2Å; F65-V142 HydrophobicContact CD1-CG2 3.55Å; F65-V142 HydrophobicContact CE1-CG2 3.53Å; F65-V142 HydrophobicContact CG-CG2 4.47Å; F65-V142 HydrophobicContact CZ-CG2 4.44Å; F65-K162 HydrophobicContact CE1-CB 4.08Å; F65-K162 HydrophobicContact CE1-CD 4.27Å; F65-K162 HydrophobicContact CE1-CG 4.17Å; F65-K162 HydrophobicContact CZ-CB 4.16Å; F65-I164 HydrophobicContact CZ-CG1 4.28Å | ||
| 66 | C | 92.2 | Very high | 92.8 | Very high | 37 Ų | 37 | 46 Ų | 46 | 25% | 0.25 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -81.7 | -32 | 175.5 | -58.1 | 0 | 0 | 0 | 0 | 112.4 | P88 S89 N90 C92 | C66-P88 WeakPolarHBondContact CB-O 3.12Å; C66-S89 PolarHBondContact N-O 3.03Å; C66-N90 PolarHBondContact SG-O 2.96Å; C66-C92 HydrophobicContact CB-CB 3.58Å; C66-C92 WeakPolarHBondContact CB-SG 3.47Å; C66-C92 WeakPolarHBondContact SG-CB 3.14Å; C66-C92 PolarHBondContact SG-N 2.98Å; C66-C92 VanDerWaalsContact SG-N 3.35Å; C66-C92 CovalentContact SG-SG 2.03Å; C66-C92 PolarHBondContact SG-SG 2.93Å |
| 67 | K | 91.6 | Very high | 92.8 | Very high | 59 Ų | 59 | 48.9 Ų | 48.9 | 26% | 0.257 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -148.7 | 147.2 | 169.4 | -63.9 | -169.7 | -167.5 | 176.5 | 0 | 107.6 | P69 D72 S77 Y78 P88 | K67-P69 WeakPolarHBondContact O-CD 3.36Å; K67-D72 WeakPolarHBondContact CA-OD2 3.48Å; K67-D72 HydrophobicContact CB-CB 3.94Å; K67-D72 WeakPolarHBondContact CB-OD2 3.25Å; K67-S77 PolarHBondContact NZ-O 2.72Å; K67-S77 PolarHBondContact NZ-OG 2.97Å; K67-Y78 HydrophobicContact CB-CD2 4.11Å; K67-Y78 HydrophobicContact CB-CE2 4.45Å; K67-Y78 HydrophobicContact CD-CD2 4.33Å; K67-P88 HydrophobicContact CD-CB 4.18Å; K67-P88 PolarHBondContact N-O 2.93Å |
| 68 | D | 90.8 | Very high | 92.8 | Very high | 56 Ų | 56 | 48.3 Ų | 48.3 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | trans | -76.3 | 119.3 | -174.9 | -81.4 | -25.8 | 0 | 0 | 0 | 111 | I70 F71 D72 H140 | D68-I70 PolarHBondContact O-N 3.16Å; D68-F71 HydrophobicContact CB-CB 4.16Å; D68-F71 HydrophobicContact CB-CD2 4.12Å; D68-F71 PolarHBondContact O-N 3.33Å; D68-D72 PolarHBondContact N-OD2 2.54Å; D68-D72 WeakPolarHBondContact O-CB 3.46Å; D68-D72 PolarHBondContact O-N 2.64Å; D68-H140 IonicContact OD1-CE1 2.7Å; D68-H140 PolarHBondContact OD1-CE1 2.95Å; D68-H140 IonicContact OD1-ND1 3Å | ||
| 69 | P | 89.9 | Confident | 92.7 | Very high | 17 Ų | 17 | 51.9 Ų | 51.9 | 11% | 0.11 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -2.9 | -174.4 | 28.3 | -36.1 | 0 | 0 | 0 | 114.4 | F65 K67 I164 | F65-P69 HydrophobicContact CD1-CG 4.35Å; F65-P69 HydrophobicContact CE1-CG 4.06Å; F65-P69 HydrophobicContact CE2-CG 4.38Å; F65-P69 HydrophobicContact CZ-CG 4.08Å; K67-P69 WeakPolarHBondContact O-CD 3.36Å; P69-I164 HydrophobicContact CG-CG1 4.13Å |
| 70 | I | 90.9 | Very high | 92.6 | Very high | 44 Ų | 44 | 54.1 Ų | 54.1 | 23% | 0.226 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -56.3 | 170.5 | -66.2 | -174.7 | 0 | 0 | 0 | 111.1 | D68 I164 L166 | D68-I70 PolarHBondContact O-N 3.16Å; I70-I164 HydrophobicContact CD1-CG2 3.47Å; I70-I164 VanDerWaalsContact CD1-CG2 3.47Å; I70-I164 HydrophobicContact CG1-CG2 3.92Å; I70-L166 HydrophobicContact CD1-CD2 3.53Å |
| 71 | F | 88.9 | Confident | 92.4 | Very high | 109 Ų | 109 | 54.8 Ų | 54.8 | 48% | 0.478 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -43.9 | -171.3 | -63.5 | -67.2 | 0 | 0 | 0 | 112.9 | D68 Y73 H167 W168 | D68-F71 HydrophobicContact CB-CB 4.16Å; D68-F71 HydrophobicContact CB-CD2 4.12Å; D68-F71 PolarHBondContact O-N 3.33Å; F71-Y73 VanDerWaalsContact C-N 3.27Å; F71-Y73 PolarHBondContact O-N 2.91Å; F71-H167 AromaticContact CE2-CE1 3.91Å; F71-H167 AromaticContact CE2-NE2 3.53Å; F71-H167 AromaticContact CZ-CE1 3.96Å; F71-H167 AromaticContact CZ-NE2 3.94Å; F71-W168 HydrophobicContact CE1-CB 4.47Å; F71-W168 HydrophobicContact CZ-CB 4Å; F71-W168 AromaticContact CZ-CD1 3.96Å; F71-W168 HydrophobicContact CZ-CG 4.16Å |
| 72 | D | 90.8 | Very high | 92.2 | Very high | 59 Ų | 59 | 54.9 Ų | 54.9 | 32% | 0.316 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -79.7 | -9.7 | 179.9 | -72.3 | -50.4 | 0 | 0 | 0 | 113 | K67 D68 Y74 S75 Y78 | K67-D72 WeakPolarHBondContact CA-OD2 3.48Å; K67-D72 HydrophobicContact CB-CB 3.94Å; K67-D72 WeakPolarHBondContact CB-OD2 3.25Å; D68-D72 PolarHBondContact N-OD2 2.54Å; D68-D72 WeakPolarHBondContact O-CB 3.46Å; D68-D72 PolarHBondContact O-N 2.64Å; D72-Y74 VanDerWaalsContact C-N 3.26Å; D72-Y74 PolarHBondContact O-N 2.86Å; D72-Y74 VanDerWaalsContact O-N 3.17Å; D72-S75 WeakPolarHBondContact O-CA 3.49Å; D72-S75 WeakPolarHBondContact O-CB 3.44Å; D72-S75 PolarHBondContact O-N 2.91Å; D72-S75 PolarHBondContact O-OG 2.9Å; D72-Y78 HydrophobicContact CB-CD2 4.02Å; D72-Y78 WeakPolarHBondContact O-CB 3.48Å |
| 73 | Y | 90.6 | Very high | 92.1 | Very high | 96 Ų | 96 | 59.5 Ų | 59.5 | 38% | 0.376 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -50.8 | -43.8 | -175.1 | -172.9 | -87.8 | 0 | 0 | 0 | 113 | F71 S75 Y78 Q79 L82 | F71-Y73 VanDerWaalsContact C-N 3.27Å; F71-Y73 PolarHBondContact O-N 2.91Å; Y73-S75 VanDerWaalsContact C-N 3.33Å; Y73-Y78 HydrophobicContact CD2-CD1 4.18Å; Y73-Y78 AromaticContact CD2-CE1 3.42Å; Y73-Y78 HydrophobicContact CD2-CE1 3.42Å; Y73-Y78 VanDerWaalsContact CD2-CE1 3.42Å; Y73-Y78 AromaticContact CD2-CZ 3.96Å; Y73-Y78 AromaticContact CE2-CE1 3.92Å; Y73-Y78 HydrophobicContact CE2-CE1 3.92Å; Y73-Y78 HydrophobicContact CG-CD1 4.47Å; Y73-Y78 HydrophobicContact CG-CE1 4.11Å; Y73-Q79 PolarHBondContact O-NE2 3.2Å; Y73-L82 HydrophobicContact CE2-CD1 4.39Å |
| 74 | Y | 91.4 | Very high | 92 | Very high | 201 Ų | 201 | 64.1 Ų | 64.1 | 79% | 0.788 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -85.2 | -0.9 | 179.5 | -66 | -75.8 | 0 | 0 | 0 | 113.9 | D72 | D72-Y74 VanDerWaalsContact C-N 3.26Å; D72-Y74 PolarHBondContact O-N 2.86Å; D72-Y74 VanDerWaalsContact O-N 3.17Å |
| 75 | S | 93.5 | Very high | 91.9 | Very high | 34 Ų | 34 | 66.4 Ų | 66.4 | 24% | 0.238 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -70.2 | 140.7 | 174.4 | 81.4 | 0 | 0 | 0 | 0 | 110.6 | D72 Y73 S77 Y78 Q79 | D72-S75 WeakPolarHBondContact O-CA 3.49Å; D72-S75 WeakPolarHBondContact O-CB 3.44Å; D72-S75 PolarHBondContact O-N 2.91Å; D72-S75 PolarHBondContact O-OG 2.9Å; Y73-S75 VanDerWaalsContact C-N 3.33Å; S75-S77 PolarHBondContact O-N 2.8Å; S75-S77 VanDerWaalsContact O-N 3.09Å; S75-S77 PolarHBondContact OG-OG 3.05Å; S75-Y78 PolarHBondContact O-N 2.66Å; S75-Y78 WeakPolarHBondContact OG-CB 3.35Å; S75-Y78 PolarHBondContact OG-N 3.26Å; S75-Q79 PolarHBondContact O-N 2.83Å; S75-Q79 VanDerWaalsContact O-N 3.13Å |
| 76 | A | 93.4 | Very high | 91.7 | Very high | 86 Ų | 86 | 70.5 Ų | 70.5 | 71% | 0.711 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -55.5 | -30.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y78 A80 | A76-Y78 VanDerWaalsContact C-N 3.34Å; A76-Y78 PolarHBondContact O-N 2.86Å; A76-A80 WeakPolarHBondContact O-CB 3.36Å; A76-A80 PolarHBondContact O-N 2.76Å |
| 77 | S | 89.9 | Confident | 91.6 | Very high | 60 Ų | 60 | 70.6 Ų | 70.6 | 42% | 0.42 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -74.5 | -18.7 | 179.4 | 86 | 0 | 0 | 0 | 0 | 114.7 | K67 S75 | K67-S77 PolarHBondContact NZ-O 2.72Å; K67-S77 PolarHBondContact NZ-OG 2.97Å; S75-S77 PolarHBondContact O-N 2.8Å; S75-S77 VanDerWaalsContact O-N 3.09Å; S75-S77 PolarHBondContact OG-OG 3.05Å |
| 78 | Y | 93.2 | Very high | 91.6 | Very high | 11 Ų | 11 | 68.2 Ų | 68.2 | 4% | 0.043 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -92.2 | -47.4 | 177.1 | -171.1 | -77.6 | 0 | 0 | 0 | 109.4 | K67 D72 Y73 S75 A76 A80 A81 L82 P88 S89 | K67-Y78 HydrophobicContact CB-CD2 4.11Å; K67-Y78 HydrophobicContact CB-CE2 4.45Å; K67-Y78 HydrophobicContact CD-CD2 4.33Å; D72-Y78 HydrophobicContact CB-CD2 4.02Å; D72-Y78 WeakPolarHBondContact O-CB 3.48Å; Y73-Y78 HydrophobicContact CD2-CD1 4.18Å; Y73-Y78 AromaticContact CD2-CE1 3.42Å; Y73-Y78 HydrophobicContact CD2-CE1 3.42Å; Y73-Y78 VanDerWaalsContact CD2-CE1 3.42Å; Y73-Y78 AromaticContact CD2-CZ 3.96Å; Y73-Y78 AromaticContact CE2-CE1 3.92Å; Y73-Y78 HydrophobicContact CE2-CE1 3.92Å; Y73-Y78 HydrophobicContact CG-CD1 4.47Å; Y73-Y78 HydrophobicContact CG-CE1 4.11Å; S75-Y78 PolarHBondContact O-N 2.66Å; S75-Y78 WeakPolarHBondContact OG-CB 3.35Å; S75-Y78 PolarHBondContact OG-N 3.26Å; A76-Y78 VanDerWaalsContact C-N 3.34Å; A76-Y78 PolarHBondContact O-N 2.86Å; Y78-A80 VanDerWaalsContact C-N 3.3Å; Y78-A80 PolarHBondContact O-N 2.79Å; Y78-A81 PolarHBondContact O-N 3.16Å; Y78-A81 VanDerWaalsContact O-N 3.14Å; Y78-L82 HydrophobicContact CD1-CD1 3.85Å; Y78-L82 HydrophobicContact CD1-CG 4.11Å; Y78-L82 HydrophobicContact CE1-CD1 3.66Å; Y78-L82 HydrophobicContact CE1-CD2 4.46Å; Y78-L82 HydrophobicContact CE1-CG 4.04Å; Y78-L82 PolarHBondContact O-N 3.24Å; Y78-P88 HydrophobicContact CD1-CG 3.84Å; Y78-P88 HydrophobicContact CD2-CB 3.81Å; Y78-P88 HydrophobicContact CD2-CG 3.5Å; Y78-P88 HydrophobicContact CE1-CG 3.93Å; Y78-P88 HydrophobicContact CE2-CB 4.13Å; Y78-P88 HydrophobicContact CE2-CG 3.59Å; Y78-P88 HydrophobicContact CG-CB 4.19Å; Y78-P88 HydrophobicContact CG-CG 3.63Å; Y78-S89 PolarHBondContact OH-OG 3.3Å |
| 79 | Q | 93.4 | Very high | 91.6 | Very high | 79 Ų | 79 | 65.6 Ų | 65.6 | 37% | 0.369 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.1 | -38.9 | 173.8 | -66.2 | -62.2 | -44.4 | 0 | 0 | 112.4 | Y73 S75 L82 S83 | Y73-Q79 PolarHBondContact O-NE2 3.2Å; S75-Q79 PolarHBondContact O-N 2.83Å; S75-Q79 VanDerWaalsContact O-N 3.13Å; Q79-L82 PolarHBondContact O-N 3.39Å; Q79-S83 WeakPolarHBondContact O-CB 3.46Å; Q79-S83 PolarHBondContact O-N 2.93Å |
| 80 | A | 92.5 | Very high | 91.7 | Very high | 47 Ų | 47 | 65.3 Ų | 65.3 | 39% | 0.388 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A76 Y78 S83 L84 | A76-A80 WeakPolarHBondContact O-CB 3.36Å; A76-A80 PolarHBondContact O-N 2.76Å; Y78-A80 VanDerWaalsContact C-N 3.3Å; Y78-A80 PolarHBondContact O-N 2.79Å; A80-S83 PolarHBondContact O-N 2.83Å; A80-S83 PolarHBondContact O-OG 3.01Å; A80-L84 WeakPolarHBondContact O-CG 3.4Å; A80-L84 PolarHBondContact O-N 3.11Å |
| 81 | A | 92 | Very high | 91.6 | Very high | 14 Ų | 14 | 68.1 Ų | 68.1 | 12% | 0.116 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66 | -43.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y78 S83 L84 G85 Q86 P88 | Y78-A81 PolarHBondContact O-N 3.16Å; Y78-A81 VanDerWaalsContact O-N 3.14Å; A81-S83 VanDerWaalsContact C-N 3.29Å; A81-S83 PolarHBondContact O-N 3.46Å; A81-L84 WeakPolarHBondContact O-CB 3.01Å; A81-L84 PolarHBondContact O-N 2.89Å; A81-G85 PolarHBondContact O-N 2.8Å; A81-Q86 PolarHBondContact O-N 2.87Å; A81-Q86 VanDerWaalsContact O-N 3.13Å; A81-P88 HydrophobicContact CB-CB 3.73Å; A81-P88 HydrophobicContact CB-CG 3.91Å |
| 82 | L | 92.7 | Very high | 91.7 | Very high | 67 Ų | 67 | 64.4 Ų | 64.4 | 35% | 0.351 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.3 | -40.2 | 171.8 | -71.4 | -178.3 | 0 | 0 | 0 | 112 | Y73 Y78 Q79 L84 G85 P88 | Y73-L82 HydrophobicContact CE2-CD1 4.39Å; Y78-L82 HydrophobicContact CD1-CD1 3.85Å; Y78-L82 HydrophobicContact CD1-CG 4.11Å; Y78-L82 HydrophobicContact CE1-CD1 3.66Å; Y78-L82 HydrophobicContact CE1-CD2 4.46Å; Y78-L82 HydrophobicContact CE1-CG 4.04Å; Y78-L82 PolarHBondContact O-N 3.24Å; Q79-L82 PolarHBondContact O-N 3.39Å; L82-L84 PolarHBondContact O-N 2.64Å; L82-G85 PolarHBondContact O-N 2.83Å; L82-P88 HydrophobicContact CD2-CG 4.36Å; L82-P88 HydrophobicContact CG-CG 4.32Å |
| 83 | S | 92.8 | Very high | 91.7 | Very high | 98 Ų | 98 | 66 Ų | 66 | 69% | 0.685 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67.3 | -17.6 | 177.6 | 77.9 | 0 | 0 | 0 | 0 | 114 | Q79 A80 A81 | Q79-S83 WeakPolarHBondContact O-CB 3.46Å; Q79-S83 PolarHBondContact O-N 2.93Å; A80-S83 PolarHBondContact O-N 2.83Å; A80-S83 PolarHBondContact O-OG 3.01Å; A81-S83 VanDerWaalsContact C-N 3.29Å; A81-S83 PolarHBondContact O-N 3.46Å |
| 84 | L | 93.8 | Very high | 91.7 | Very high | 127 Ų | 127 | 64.2 Ų | 64.2 | 67% | 0.665 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 0.9 | 172.2 | -65.1 | 169.8 | 0 | 0 | 0 | 112.9 | A80 A81 L82 Q86 | A80-L84 WeakPolarHBondContact O-CG 3.4Å; A80-L84 PolarHBondContact O-N 3.11Å; A81-L84 WeakPolarHBondContact O-CB 3.01Å; A81-L84 PolarHBondContact O-N 2.89Å; L82-L84 PolarHBondContact O-N 2.64Å; L84-Q86 VanDerWaalsContact C-N 3.32Å |
| 85 | G | 91.3 | Very high | 91.7 | Very high | 75 Ų | 75 | 61.6 Ų | 61.6 | 77% | 0.773 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 16.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | A81 L82 | A81-G85 PolarHBondContact O-N 2.8Å; L82-G85 PolarHBondContact O-N 2.83Å |
| 86 | Q | 90.9 | Very high | 91.5 | Very high | 105 Ų | 105 | 67.2 Ų | 67.2 | 49% | 0.491 | 40% | 0.4 | S | S | . | . | trans | -96.4 | 152.3 | 176 | -65.1 | 176.2 | -21.3 | 0 | 0 | 110.4 | A81 L84 P88 D91 | A81-Q86 PolarHBondContact O-N 2.87Å; A81-Q86 VanDerWaalsContact O-N 3.13Å; L84-Q86 VanDerWaalsContact C-N 3.32Å; Q86-P88 WeakPolarHBondContact O-CD 3.45Å; Q86-D91 WeakPolarHBondContact CA-OD2 3.03Å | ||
| 87 | D | 90.2 | Very high | 91.4 | Very high | 38 Ų | 38 | 64.5 Ų | 64.5 | 20% | 0.203 | 37% | 0.371 | C | S | . | . | trans | -94.3 | 95 | 170.5 | -172 | -14.1 | 0 | 0 | 0 | 110.3 | S89 N90 D91 K162 | D87-S89 PolarHBondContact O-N 2.83Å; D87-S89 WeakPolarHBondContact OD1-CB 3.4Å; D87-S89 PolarHBondContact OD1-N 2.83Å; D87-S89 PolarHBondContact OD1-OG 2.94Å; D87-N90 PolarHBondContact O-N 2.79Å; D87-D91 PolarHBondContact N-OD2 2.99Å; D87-D91 WeakPolarHBondContact O-CB 3.37Å; D87-D91 PolarHBondContact O-N 2.78Å; D87-K162 IonicContact OD1-NZ 3.25Å; D87-K162 WeakPolarHBondContact OD2-CE 3.38Å; D87-K162 IonicContact OD2-NZ 2.72Å; D87-K162 PolarHBondContact OD2-NZ 3.22Å | ||
| 88 | P | 91.3 | Very high | 91.5 | Very high | 10 Ų | 10 | 66.5 Ų | 66.5 | 7% | 0.065 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -14.2 | 179.2 | 23.3 | -34.7 | 0 | 0 | 0 | 114.8 | C66 K67 Y78 A81 L82 Q86 | C66-P88 WeakPolarHBondContact CB-O 3.12Å; K67-P88 HydrophobicContact CD-CB 4.18Å; K67-P88 PolarHBondContact N-O 2.93Å; Y78-P88 HydrophobicContact CD1-CG 3.84Å; Y78-P88 HydrophobicContact CD2-CB 3.81Å; Y78-P88 HydrophobicContact CD2-CG 3.5Å; Y78-P88 HydrophobicContact CE1-CG 3.93Å; Y78-P88 HydrophobicContact CE2-CB 4.13Å; Y78-P88 HydrophobicContact CE2-CG 3.59Å; Y78-P88 HydrophobicContact CG-CB 4.19Å; Y78-P88 HydrophobicContact CG-CG 3.63Å; A81-P88 HydrophobicContact CB-CB 3.73Å; A81-P88 HydrophobicContact CB-CG 3.91Å; L82-P88 HydrophobicContact CD2-CG 4.36Å; L82-P88 HydrophobicContact CG-CG 4.32Å; Q86-P88 WeakPolarHBondContact O-CD 3.45Å |
| 89 | S | 90.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -24.1 | 176.6 | -16.7 | 0 | 0 | 0 | 0 | 112.5 | C66 Y78 D87 | C66-S89 PolarHBondContact N-O 3.03Å; Y78-S89 PolarHBondContact OH-OG 3.3Å; D87-S89 PolarHBondContact O-N 2.83Å; D87-S89 WeakPolarHBondContact OD1-CB 3.4Å; D87-S89 PolarHBondContact OD1-N 2.83Å; D87-S89 PolarHBondContact OD1-OG 2.94Å |
| 90 | N | 91.6 | Very high | 91.6 | Very high | 11 Ų | 11 | 69 Ų | 69 | 6% | 0.059 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | -26.4 | -168.3 | -163.3 | 26.7 | 0 | 0 | 0 | 115 | C66 D87 C92 R97 V142 Y144 | C66-N90 PolarHBondContact SG-O 2.96Å; D87-N90 PolarHBondContact O-N 2.79Å; N90-C92 PolarHBondContact O-N 2.92Å; N90-R97 PolarHBondContact O-NH1 2.88Å; N90-R97 VanDerWaalsContact O-NH1 3.16Å; N90-R97 PolarHBondContact O-NH2 2.81Å; N90-R97 PolarHBondContact OD1-NH1 2.78Å; N90-V142 HydrophobicContact CB-CG2 4.47Å; N90-Y144 PolarHBondContact ND2-OH 3.15Å; N90-Y144 PolarHBondContact OD1-OH 3.3Å |
| 91 | D | 90.1 | Very high | 91.6 | Very high | 103 Ų | 103 | 70.7 Ų | 70.7 | 55% | 0.551 | 39% | 0.389 | S | S | * | . | trans | -80.2 | 55.7 | -175.4 | -66.3 | -11.8 | 0 | 0 | 0 | 112.5 | Q86 D87 | Q86-D91 WeakPolarHBondContact CA-OD2 3.03Å; D87-D91 PolarHBondContact N-OD2 2.99Å; D87-D91 WeakPolarHBondContact O-CB 3.37Å; D87-D91 PolarHBondContact O-N 2.78Å | ||
| 92 | C | 89.8 | Confident | 91.8 | Very high | 32 Ų | 32 | 70 Ų | 70 | 22% | 0.216 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -125.5 | 160.9 | 169.1 | 71.5 | 0 | 0 | 0 | 0 | 112.2 | C66 N90 R97 | C66-C92 HydrophobicContact CB-CB 3.58Å; C66-C92 WeakPolarHBondContact CB-SG 3.47Å; C66-C92 WeakPolarHBondContact SG-CB 3.14Å; C66-C92 PolarHBondContact SG-N 2.98Å; C66-C92 VanDerWaalsContact SG-N 3.35Å; C66-C92 CovalentContact SG-SG 2.03Å; C66-C92 PolarHBondContact SG-SG 2.93Å; N90-C92 PolarHBondContact O-N 2.92Å; C92-R97 PolarHBondContact O-NH2 3Å |
| 93 | N | 92.1 | Very high | 91.9 | Very high | 93 Ų | 93 | 66.8 Ų | 66.8 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | trans | -67.6 | 136.6 | 178.1 | -176.8 | 13.8 | 0 | 0 | 0 | 110.3 | N95 Q96 | N93-N95 PolarHBondContact O-N 3Å; N93-N95 VanDerWaalsContact O-N 3.09Å; N93-Q96 HydrophobicContact CB-CG 4.43Å; N93-Q96 WeakPolarHBondContact O-CB 3.3Å; N93-Q96 PolarHBondContact O-N 2.93Å | ||
| 94 | D | 90.1 | Very high | 92 | Very high | 58 Ų | 58 | 65.8 Ų | 65.8 | 31% | 0.31 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -58.2 | -27 | 180 | -77.5 | -0.8 | 0 | 0 | 0 | 112.8 | K63 Q96 R97 V99 | K63-D94 VanDerWaalsContact NZ-CG 3.25Å; K63-D94 IonicContact NZ-OD1 3.74Å; K63-D94 PolarHBondContact NZ-OD1 2.96Å; K63-D94 IonicContact NZ-OD2 3Å; K63-D94 PolarHBondContact NZ-OD2 3.23Å; D94-Q96 PolarHBondContact O-N 2.79Å; D94-Q96 VanDerWaalsContact O-N 3.14Å; D94-R97 PolarHBondContact O-N 2.03Å; D94-R97 IonicContact OD1-CZ 3.72Å; D94-R97 VanDerWaalsContact OD1-CZ 3.25Å; D94-R97 IonicContact OD1-NE 3.8Å; D94-R97 PolarHBondContact OD1-NE 3.25Å; D94-R97 IonicContact OD1-NH2 2.79Å; D94-R97 PolarHBondContact OD1-NH2 2.68Å; D94-V99 HydrophobicContact CB-CG2 4.12Å |
| 95 | N | 91.1 | Very high | 91.9 | Very high | 146 Ų | 146 | 62 Ų | 62 | 78% | 0.781 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -65.1 | -11.5 | 173.4 | -60.9 | -9.6 | 0 | 0 | 0 | 114.6 | N93 | N93-N95 PolarHBondContact O-N 3Å; N93-N95 VanDerWaalsContact O-N 3.09Å |
| 96 | Q | 89.8 | Confident | 92 | Very high | 151 Ų | 151 | 65 Ų | 65 | 71% | 0.706 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -102.1 | -3.2 | -179.9 | -63.1 | 177.2 | -50.5 | 0 | 0 | 113 | N93 D94 | N93-Q96 HydrophobicContact CB-CG 4.43Å; N93-Q96 WeakPolarHBondContact O-CB 3.3Å; N93-Q96 PolarHBondContact O-N 2.93Å; D94-Q96 PolarHBondContact O-N 2.79Å; D94-Q96 VanDerWaalsContact O-N 3.14Å |
| 97 | R | 91.4 | Very high | 91.8 | Very high | 29 Ų | 29 | 60.6 Ų | 60.6 | 11% | 0.109 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -134 | 162 | -175.2 | 54.1 | 173.5 | 173.7 | -165.5 | -11.3 | 112 | S64 N90 C92 D94 V99 | S64-R97 VanDerWaalsContact O-CD 3.29Å; S64-R97 WeakPolarHBondContact O-CD 3.45Å; S64-R97 WeakPolarHBondContact OG-CB 3.36Å; N90-R97 PolarHBondContact O-NH1 2.88Å; N90-R97 VanDerWaalsContact O-NH1 3.16Å; N90-R97 PolarHBondContact O-NH2 2.81Å; N90-R97 PolarHBondContact OD1-NH1 2.78Å; C92-R97 PolarHBondContact O-NH2 3Å; D94-R97 PolarHBondContact O-N 2.03Å; D94-R97 IonicContact OD1-CZ 3.72Å; D94-R97 VanDerWaalsContact OD1-CZ 3.25Å; D94-R97 IonicContact OD1-NE 3.8Å; D94-R97 PolarHBondContact OD1-NE 3.25Å; D94-R97 IonicContact OD1-NH2 2.79Å; D94-R97 PolarHBondContact OD1-NH2 2.68Å; R97-V99 HydrophobicContact CG-CG2 4.41Å |
| 98 | E | 91.3 | Very high | 91.5 | Very high | 103 Ų | 103 | 65.5 Ų | 65.5 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | trans | -78.6 | 127 | 173.7 | -61 | -163.8 | 122.3 | 0 | 0 | 109.8 | K63 S64 R100 | K63-E98 CarbonylContact C-O 3.37Å; K63-E98 VanDerWaalsContact CA-O 3.29Å; K63-E98 WeakPolarHBondContact CA-O 3.44Å; S64-E98 PolarHBondContact N-O 2.7Å; S64-E98 PolarHBondContact OG-N 2.9Å; E98-R100 IonicContact OE1-CZ 2.76Å; E98-R100 IonicContact OE1-NH1 2.64Å; E98-R100 IonicContact OE1-NH2 3.74Å; E98-R100 PolarHBondContact OE1-NH2 3.34Å; E98-R100 IonicContact OE2-CZ 3.8Å; E98-R100 IonicContact OE2-NH1 3.91Å; E98-R100 PolarHBondContact OE2-NH1 2.83Å; E98-R100 IonicContact OE2-NH2 3.95Å; E98-R100 PolarHBondContact OE2-NH2 3.43Å; E98-R100 VanDerWaalsContact OE2-NH2 3.16Å | ||
| 99 | V | 94.4 | Very high | 91.2 | Very high | 70 Ų | 70 | 69.8 Ų | 69.8 | 42% | 0.424 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123.4 | 174.4 | -178 | 0 | 0 | 0 | 0 | 109.3 | F62 K63 D94 R97 | F62-V99 CarbonylContact O-C 3.52Å; F62-V99 WeakPolarHBondContact O-CA 3.37Å; K63-V99 HydrophobicContact CB-CG2 4.49Å; K63-V99 HydrophobicContact CD-CG2 4.17Å; K63-V99 HydrophobicContact CG-CG1 4.28Å; K63-V99 HydrophobicContact CG-CG2 4.06Å; D94-V99 HydrophobicContact CB-CG2 4.12Å; R97-V99 HydrophobicContact CG-CG2 4.41Å |
| 100 | R | 93.9 | Very high | 91.1 | Very high | 71 Ų | 71 | 77.6 Ų | 77.6 | 27% | 0.268 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145.6 | -177.9 | -64.8 | -179 | 174.2 | 100.4 | 12.8 | 111 | R61 F62 E98 D116 Y117 | R61-R100 CarbonylContact C-O 3.55Å; R61-R100 WeakPolarHBondContact CA-O 3.34Å; F62-R100 HydrophobicContact CB-CB 4.48Å; F62-R100 HydrophobicContact CD1-CB 4.42Å; F62-R100 PolarHBondContact N-O 3.04Å; F62-R100 PolarHBondContact O-N 3Å; E98-R100 IonicContact OE1-CZ 2.76Å; E98-R100 IonicContact OE1-NH1 2.64Å; E98-R100 IonicContact OE1-NH2 3.74Å; E98-R100 PolarHBondContact OE1-NH2 3.34Å; E98-R100 IonicContact OE2-CZ 3.8Å; E98-R100 IonicContact OE2-NH1 3.91Å; E98-R100 PolarHBondContact OE2-NH1 2.83Å; E98-R100 IonicContact OE2-NH2 3.95Å; E98-R100 PolarHBondContact OE2-NH2 3.43Å; E98-R100 VanDerWaalsContact OE2-NH2 3.16Å; R100-D116 VanDerWaalsContact CD-OD2 3.25Å; R100-D116 WeakPolarHBondContact CD-OD2 3.36Å; R100-D116 IonicContact NE-OD2 3.63Å; R100-D116 PolarHBondContact NE-OD2 2.84Å; R100-Y117 HydrophobicContact CB-CE2 4.07Å |
| 101 | I | 93.8 | Very high | 91 | Very high | 83 Ų | 83 | 79 Ų | 79 | 43% | 0.426 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 125.3 | 166.5 | -60.9 | 174.8 | 0 | 0 | 0 | 107.5 | T59 G114 | T59-I101 HydrophobicContact CG2-CG2 3.86Å; I101-G114 WeakPolarHBondContact O-CA 3.47Å |
| 102 | V | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -56.5 | -179.1 | -175.5 | 0 | 0 | 0 | 0 | 110 | W60 F62 G114 Y117 I122 L130 Y143 | W60-V102 HydrophobicContact CB-CB 4.41Å; W60-V102 PolarHBondContact O-N 2.86Å; F62-V102 HydrophobicContact CB-CG2 3.5Å; F62-V102 VanDerWaalsContact CB-CG2 3.5Å; V102-G114 PolarHBondContact O-N 3.23Å; V102-Y117 HydrophobicContact CB-CD2 4.41Å; V102-Y117 HydrophobicContact CB-CE2 4.34Å; V102-Y117 HydrophobicContact CG1-CD1 4.3Å; V102-Y117 HydrophobicContact CG1-CD2 4.33Å; V102-Y117 HydrophobicContact CG1-CE1 4.42Å; V102-Y117 HydrophobicContact CG1-CE2 4.45Å; V102-Y117 HydrophobicContact CG1-CG 4.24Å; V102-Y117 HydrophobicContact CG2-CE2 4.02Å; V102-I122 HydrophobicContact CG1-CD1 4.27Å; V102-I122 HydrophobicContact CG1-CG2 4.07Å; V102-L130 HydrophobicContact CG1-CD1 4.46Å; V102-L130 HydrophobicContact CG1-CD2 4.28Å; V102-Y143 HydrophobicContact CG2-CD1 4.29Å; V102-Y143 HydrophobicContact CG2-CE1 3.95Å |
| 103 | A | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 148.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | W60 V112 L113 I124 L130 | W60-A103 PolarHBondContact N-O 3.49Å; A103-V112 CarbonylContact C-O 3.57Å; A103-V112 WeakPolarHBondContact CA-O 3.44Å; A103-L113 HydrophobicContact CB-CD2 4.14Å; A103-I124 HydrophobicContact CB-CD1 3.65Å; A103-I124 HydrophobicContact CB-CG1 3.9Å; A103-L130 HydrophobicContact CB-CD1 4.1Å |
| 104 | Q | 94.8 | Very high | 91.3 | Very high | 77 Ų | 77 | 74.9 Ų | 74.9 | 36% | 0.36 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 132.8 | 176.3 | -174.6 | 172.6 | 57.8 | 0 | 0 | 109.8 | V57 V58 T59 V112 | V57-Q104 HydrophobicContact CG1-CG 3.73Å; V58-Q104 CarbonylContact O-C 3.55Å; V58-Q104 WeakPolarHBondContact O-CA 3.29Å; T59-Q104 HydrophobicContact CG2-CB 4.33Å; T59-Q104 HydrophobicContact CG2-CG 4.36Å; T59-Q104 PolarHBondContact OG1-NE2 3.24Å; Q104-V112 PolarHBondContact N-O 3.36Å; Q104-V112 PolarHBondContact O-N 3.33Å |
| 105 | R | 92.9 | Very high | 91.3 | Very high | 48 Ų | 48 | 77 Ų | 77 | 18% | 0.181 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 123.1 | 179.3 | -179.2 | -177.7 | -175.6 | 139.3 | 16.4 | 109.3 | V57 V58 G107 Q108 N109 I124 | V57-R105 WeakPolarHBondContact CA-O 3.36Å; V58-R105 PolarHBondContact N-O 2.88Å; V58-R105 PolarHBondContact O-N 3.14Å; R105-G107 PolarHBondContact NE-O 3.09Å; R105-Q108 PolarHBondContact NH2-O 3.19Å; R105-Q108 VanDerWaalsContact NH2-O 3.09Å; R105-N109 PolarHBondContact NE-O 2.79Å; R105-N109 PolarHBondContact NH2-O 3.45Å; R105-I124 HydrophobicContact CB-CB 4.41Å; R105-I124 HydrophobicContact CB-CD1 3.82Å; R105-I124 HydrophobicContact CB-CG2 4.41Å; R105-I124 PolarHBondContact NH1-O 3.35Å |
| 106 | R | 92.1 | Very high | 91.2 | Very high | 137 Ų | 137 | 74.4 Ų | 74.4 | 52% | 0.517 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 109.1 | 172.3 | -177.8 | 167.6 | 176.9 | 179.5 | -1.6 | 110.2 | D55 V57 Q108 N109 | D55-R106 IonicContact OD1-CZ 3.55Å; D55-R106 IonicContact OD1-NE 3.55Å; D55-R106 IonicContact OD1-NH2 2.71Å; D55-R106 PolarHBondContact OD1-NH2 2.74Å; V57-R106 HydrophobicContact CG2-CB 4.16Å; V57-R106 HydrophobicContact CG2-CG 3.91Å; R106-Q108 PolarHBondContact O-N 2.88Å; R106-N109 WeakPolarHBondContact O-CB 3.45Å; R106-N109 PolarHBondContact O-N 2.92Å; R106-N109 PolarHBondContact O-ND2 3.05Å |
| 107 | G | 86.3 | Confident | 91.2 | Very high | 12 Ų | 12 | 67.4 Ų | 67.4 | 12% | 0.124 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | -126.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L53 Q54 V56 R105 | L53-G107 WeakPolarHBondContact O-CA 3.29Å; Q54-G107 WeakPolarHBondContact O-CA 3.41Å; V56-G107 PolarHBondContact O-N 2.99Å; R105-G107 PolarHBondContact NE-O 3.09Å |
| 108 | Q | 84.1 | Confident | 91.1 | Very high | 141 Ų | 141 | 74.1 Ų | 74.1 | 66% | 0.659 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -7.4 | -177.1 | -68 | -178.6 | -20.5 | 0 | 0 | 114.3 | R105 R106 | R105-Q108 PolarHBondContact NH2-O 3.19Å; R105-Q108 VanDerWaalsContact NH2-O 3.09Å; R106-Q108 PolarHBondContact O-N 2.88Å |
| 109 | N | 86.8 | Confident | 91 | Very high | 101 Ų | 101 | 78.8 Ų | 78.8 | 54% | 0.54 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -62.1 | 169.2 | -179.3 | -58.9 | -54.5 | 0 | 0 | 0 | 113.1 | R105 R106 | R105-N109 PolarHBondContact NE-O 2.79Å; R105-N109 PolarHBondContact NH2-O 3.45Å; R106-N109 WeakPolarHBondContact O-CB 3.45Å; R106-N109 PolarHBondContact O-N 2.92Å; R106-N109 PolarHBondContact O-ND2 3.05Å |
| 110 | E | 86.8 | Confident | 90.8 | Very high | 164 Ų | 164 | 78.1 Ų | 78.1 | 77% | 0.766 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 147.8 | 174.3 | 63.4 | -177.3 | 177.1 | 0 | 0 | 112.5 | V112 | E110-V112 PolarHBondContact O-N 3.48Š|
| 111 | P | 90.7 | Very high | 90.7 | Very high | 41 Ų | 41 | 80.8 Ų | 80.8 | 27% | 0.266 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 120 | 178.8 | 30.6 | -33.5 | 0 | 0 | 0 | 111.1 | I124 | P111-I124 HydrophobicContact CB-CB 4.14Å; P111-I124 HydrophobicContact CB-CD1 4.43Å; P111-I124 HydrophobicContact CB-CG1 4.35Å |
| 112 | V | 92.2 | Very high | 90.8 | Very high | 91 Ų | 91 | 77.1 Ų | 77.1 | 55% | 0.552 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 122.5 | 175.1 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | A103 Q104 E110 | A103-V112 CarbonylContact C-O 3.57Å; A103-V112 WeakPolarHBondContact CA-O 3.44Å; Q104-V112 PolarHBondContact N-O 3.36Å; Q104-V112 PolarHBondContact O-N 3.33Å; E110-V112 PolarHBondContact O-N 3.48Å |
| 113 | L | 93.6 | Very high | 90.7 | Very high | 36 Ų | 36 | 79.3 Ų | 79.3 | 19% | 0.188 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 140.8 | 176.9 | -74 | 163.3 | 0 | 0 | 0 | 111.9 | A103 R118 I122 | A103-L113 HydrophobicContact CB-CD2 4.14Å; L113-R118 HydrophobicContact CB-CG 4.46Å; L113-I122 HydrophobicContact CD2-CB 3.81Å; L113-I122 HydrophobicContact CD2-CG2 4.06Å |
| 114 | G | 91.4 | Very high | 90.7 | Very high | 13 Ų | 13 | 79.5 Ų | 79.5 | 13% | 0.134 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 156.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I101 V102 D116 Y117 R118 | I101-G114 WeakPolarHBondContact O-CA 3.47Å; V102-G114 PolarHBondContact O-N 3.23Å; G114-D116 VanDerWaalsContact C-N 3.28Å; G114-D116 PolarHBondContact O-N 3.35Å; G114-Y117 PolarHBondContact O-N 2.79Å; G114-R118 WeakPolarHBondContact O-CG 3.33Å; G114-R118 PolarHBondContact O-N 3.47Å |
| 115 | V | 90.5 | Very high | 90.5 | Very high | 102 Ų | 102 | 80 Ų | 80 | 62% | 0.618 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -52.5 | -42.7 | -170.2 | -71.6 | 0 | 0 | 0 | 0 | 113.5 | Y117 | V115-Y117 VanDerWaalsContact C-N 3.27Å; V115-Y117 PolarHBondContact O-N 2.8Å |
| 116 | D | 89.4 | Confident | 90.2 | Very high | 92 Ų | 92 | 82.9 Ų | 82.9 | 49% | 0.492 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -73 | -17.2 | -178.7 | -49 | -47.6 | 0 | 0 | 0 | 113.6 | R100 G114 | R100-D116 VanDerWaalsContact CD-OD2 3.25Å; R100-D116 WeakPolarHBondContact CD-OD2 3.36Å; R100-D116 IonicContact NE-OD2 3.63Å; R100-D116 PolarHBondContact NE-OD2 2.84Å; G114-D116 VanDerWaalsContact C-N 3.28Å; G114-D116 PolarHBondContact O-N 3.35Å |
| 117 | Y | 89.9 | Confident | 89.8 | Confident | 4 Ų | 4 | 84.2 Ų | 84.2 | 2% | 0.016 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -110.8 | -1.8 | -172.3 | -61.8 | -83.2 | 0 | 0 | 0 | 113.7 | R100 V102 G114 V115 Q119 R120 I122 | R100-Y117 HydrophobicContact CB-CE2 4.07Å; V102-Y117 HydrophobicContact CB-CD2 4.41Å; V102-Y117 HydrophobicContact CB-CE2 4.34Å; V102-Y117 HydrophobicContact CG1-CD1 4.3Å; V102-Y117 HydrophobicContact CG1-CD2 4.33Å; V102-Y117 HydrophobicContact CG1-CE1 4.42Å; V102-Y117 HydrophobicContact CG1-CE2 4.45Å; V102-Y117 HydrophobicContact CG1-CG 4.24Å; V102-Y117 HydrophobicContact CG2-CE2 4.02Å; G114-Y117 PolarHBondContact O-N 2.79Å; V115-Y117 VanDerWaalsContact C-N 3.27Å; V115-Y117 PolarHBondContact O-N 2.8Å; Y117-Q119 PolarHBondContact O-N 2.77Å; Y117-R120 HydrophobicContact CD1-CG 4.38Å; Y117-R120 WeakPolarHBondContact O-CB 3.31Å; Y117-R120 PolarHBondContact O-N 2.68Å; Y117-I122 HydrophobicContact CD1-CD1 3.66Å; Y117-I122 HydrophobicContact CE1-CD1 4.39Å; Y117-I122 HydrophobicContact CG-CD1 4.39Å |
| 118 | R | 88.4 | Confident | 90.2 | Very high | 170 Ų | 170 | 83.6 Ų | 83.6 | 64% | 0.642 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -26 | -176.2 | -69.2 | -175.6 | 174.5 | -178.4 | -0.9 | 115.6 | L113 G114 | L113-R118 HydrophobicContact CB-CG 4.46Å; G114-R118 WeakPolarHBondContact O-CG 3.33Å; G114-R118 PolarHBondContact O-N 3.47Å |
| 119 | Q | 90 | Very high | 90.7 | Very high | 201 Ų | 201 | 77.4 Ų | 77.4 | 94% | 0.939 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 1.1 | 179 | -66.4 | 180 | -15.7 | 0 | 0 | 113.3 | Y117 | Y117-Q119 PolarHBondContact O-N 2.77Š|
| 120 | R | 90.3 | Very high | 91.1 | Very high | 57 Ų | 57 | 72.6 Ų | 72.6 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -97.8 | 151.4 | -177.8 | -57.9 | -86.1 | -165.2 | 78 | 33.8 | 111.6 | Y117 I122 W138 D139 | Y117-R120 HydrophobicContact CD1-CG 4.38Å; Y117-R120 WeakPolarHBondContact O-CB 3.31Å; Y117-R120 PolarHBondContact O-N 2.68Å; R120-I122 HydrophobicContact CB-CD1 3.79Å; R120-I122 HydrophobicContact CB-CG1 3.84Å; R120-I122 HydrophobicContact CG-CD1 4.23Å; R120-I122 PolarHBondContact O-N 2.8Å; R120-W138 VanDerWaalsContact NH1-NE1 3.1Å; R120-D139 IonicContact CZ-OD1 3.33Å; R120-D139 VanDerWaalsContact NH1-CG 3.32Å; R120-D139 IonicContact NH1-OD1 3.66Å; R120-D139 PolarHBondContact NH1-OD1 3.21Å; R120-D139 IonicContact NH1-OD2 2.67Å; R120-D139 PolarHBondContact NH1-OD2 2.98Å; R120-D139 IonicContact NH2-OD1 2.86Å |
| 121 | K | 91.9 | Very high | 91.5 | Very high | 126 Ų | 126 | 65.2 Ų | 65.2 | 55% | 0.548 | 32% | 0.317 | S | S | . | . | trans | -80.9 | 65.9 | 171.1 | -59.5 | 171.1 | -165.4 | 159.5 | 0 | 110.7 | N133 E134 | K121-N133 HydrophobicContact CB-CB 4.06Å; K121-N133 WeakPolarHBondContact O-CB 3.36Å; K121-N133 PolarHBondContact O-N 3.49Å; K121-N133 PolarHBondContact O-ND2 2.8Å; K121-E134 WeakPolarHBondContact CD-OE1 3.21Å; K121-E134 WeakPolarHBondContact CE-OE1 3.41Å; K121-E134 IonicContact NZ-OE1 3.46Å; K121-E134 PolarHBondContact NZ-OE1 2.96Å; K121-E134 IonicContact NZ-OE2 3.16Å | ||
| 122 | I | 93.9 | Very high | 91.7 | Very high | 6 Ų | 6 | 63.3 Ų | 63.3 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 137.9 | 177.5 | -60.9 | 172.7 | 0 | 0 | 0 | 108.9 | V102 L113 Y117 R120 L130 V131 I132 | V102-I122 HydrophobicContact CG1-CD1 4.27Å; V102-I122 HydrophobicContact CG1-CG2 4.07Å; L113-I122 HydrophobicContact CD2-CB 3.81Å; L113-I122 HydrophobicContact CD2-CG2 4.06Å; Y117-I122 HydrophobicContact CD1-CD1 3.66Å; Y117-I122 HydrophobicContact CE1-CD1 4.39Å; Y117-I122 HydrophobicContact CG-CD1 4.39Å; R120-I122 HydrophobicContact CB-CD1 3.79Å; R120-I122 HydrophobicContact CB-CG1 3.84Å; R120-I122 HydrophobicContact CG-CD1 4.23Å; R120-I122 PolarHBondContact O-N 2.8Å; I122-L130 HydrophobicContact CG2-CD1 3.72Å; I122-L130 HydrophobicContact CG2-CG 4.41Å; I122-V131 CarbonylContact C-O 3.59Å; I122-V131 WeakPolarHBondContact CA-O 3.41Å; I122-I132 HydrophobicContact CD1-CG1 4.27Å; I122-I132 HydrophobicContact CD1-CG2 4.34Å; I122-I132 HydrophobicContact CG1-CB 4.33Å; I122-I132 HydrophobicContact CG1-CG1 4.1Å; I122-I132 HydrophobicContact CG1-CG2 4.1Å; I122-I132 HydrophobicContact CG2-CG1 4.15Å |
| 123 | T | 93.1 | Very high | 91.8 | Very high | 46 Ų | 46 | 62.3 Ų | 62.3 | 28% | 0.282 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 157.7 | -176.9 | 58.5 | 0 | 0 | 0 | 0 | 112.1 | Q125 V131 | T123-Q125 PolarHBondContact OG1-NE2 2.03Å; T123-V131 PolarHBondContact N-O 2.83Å; T123-V131 PolarHBondContact O-N 2.89Å |
| 124 | I | 94.7 | Very high | 91.8 | Very high | 4 Ų | 4 | 64.1 Ų | 64.1 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 115.2 | 169.8 | -60.8 | 168.3 | 0 | 0 | 0 | 109.2 | A103 R105 P111 D129 L130 | A103-I124 HydrophobicContact CB-CD1 3.65Å; A103-I124 HydrophobicContact CB-CG1 3.9Å; R105-I124 HydrophobicContact CB-CB 4.41Å; R105-I124 HydrophobicContact CB-CD1 3.82Å; R105-I124 HydrophobicContact CB-CG2 4.41Å; R105-I124 PolarHBondContact NH1-O 3.35Å; P111-I124 HydrophobicContact CB-CB 4.14Å; P111-I124 HydrophobicContact CB-CD1 4.43Å; P111-I124 HydrophobicContact CB-CG1 4.35Å; I124-D129 CarbonylContact C-O 3.53Å; I124-D129 VanDerWaalsContact CA-O 3.32Å; I124-D129 WeakPolarHBondContact CA-O 3.29Å; I124-L130 HydrophobicContact CG1-CD1 4.06Å |
| 125 | Q | 91.2 | Very high | 91.9 | Very high | 88 Ų | 88 | 63.5 Ų | 63.5 | 41% | 0.411 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | -179.3 | -179.4 | -57.9 | -172.8 | 16.7 | 0 | 0 | 110.4 | T123 R127 A128 D129 V131 | T123-Q125 PolarHBondContact OG1-NE2 2.03Å; Q125-R127 CarbonylContact O-C 3.57Å; Q125-R127 PolarHBondContact O-N 3.07Å; Q125-A128 PolarHBondContact O-N 2.88Å; Q125-A128 VanDerWaalsContact O-N 3.11Å; Q125-D129 PolarHBondContact N-O 3.43Å; Q125-D129 PolarHBondContact O-N 3.16Å; Q125-V131 HydrophobicContact CB-CG2 4.11Å; Q125-V131 VanDerWaalsContact CD-CG2 3.5Å; Q125-V131 HydrophobicContact CG-CG2 3.75Å |
| 126 | N | 86.1 | Confident | 92 | Very high | 109 Ų | 109 | 60.4 Ų | 60.4 | 58% | 0.583 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 36 | 57 | 168.5 | -53.7 | -26.8 | 0 | 0 | 0 | 115.9 | A128 D129 | N126-A128 PolarHBondContact O-N 2.9Å; N126-D129 HydrophobicContact CB-CB 4.13Å; N126-D129 WeakPolarHBondContact CB-OD2 3.41Å; N126-D129 PolarHBondContact ND2-OD2 3.46Å |
| 127 | R | 85.2 | Confident | 92.1 | Very high | 164 Ų | 164 | 64 Ų | 64 | 62% | 0.619 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | -60 | -169.8 | -43.3 | 174.1 | -171.6 | 170.9 | 4.5 | 113.8 | Y47 Q125 | Y47-R127 HydrophobicContact CE1-CB 3.96Å; Q125-R127 CarbonylContact O-C 3.57Å; Q125-R127 PolarHBondContact O-N 3.07Å |
| 128 | A | 93.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -140.9 | -0.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | C45 Y47 V58 W60 Q125 N126 L130 | C45-A128 HydrophobicContact CB-CB 4.15Å; C45-A128 WeakPolarHBondContact O-CB 3.44Å; Y47-A128 HydrophobicContact CD1-CB 3.87Å; Y47-A128 HydrophobicContact CE1-CB 3.89Å; V58-A128 HydrophobicContact CG1-CB 3.65Å; V58-A128 HydrophobicContact CG2-CB 4.06Å; W60-A128 WeakPolarHBondContact CZ2-O 3.45Å; W60-A128 PolarHBondContact NE1-O 3.07Å; Q125-A128 PolarHBondContact O-N 2.88Å; Q125-A128 VanDerWaalsContact O-N 3.11Å; N126-A128 PolarHBondContact O-N 2.9Å; A128-L130 PolarHBondContact O-N 2.87Å |
| 129 | D | 95.2 | Very high | 92.4 | Very high | 10 Ų | 10 | 60.4 Ų | 60.4 | 5% | 0.053 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 122.7 | 176.5 | -77.7 | -9.9 | 0 | 0 | 0 | 112 | V42 K44 C45 I124 Q125 N126 | V42-D129 HydrophobicContact CG1-CB 4Å; K44-D129 WeakPolarHBondContact CA-OD1 3Å; C45-D129 PolarHBondContact N-OD1 3.38Å; I124-D129 CarbonylContact C-O 3.53Å; I124-D129 VanDerWaalsContact CA-O 3.32Å; I124-D129 WeakPolarHBondContact CA-O 3.29Å; Q125-D129 PolarHBondContact N-O 3.43Å; Q125-D129 PolarHBondContact O-N 3.16Å; N126-D129 HydrophobicContact CB-CB 4.13Å; N126-D129 WeakPolarHBondContact CB-OD2 3.41Å; N126-D129 PolarHBondContact ND2-OD2 3.46Å |
| 130 | L | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 122.3 | 173.3 | -174.5 | 71.2 | 0 | 0 | 0 | 110.5 | V42 L43 W60 V102 A103 I122 I124 A128 I132 Y143 | V42-L130 CarbonylContact C-O 3.51Å; V42-L130 WeakPolarHBondContact CA-O 3.43Å; L43-L130 HydrophobicContact CB-CB 4.35Å; L43-L130 HydrophobicContact CD1-CD2 4.28Å; L43-L130 PolarHBondContact N-O 2.83Å; L43-L130 PolarHBondContact O-N 2.77Å; W60-L130 HydrophobicContact CB-CD1 4.34Å; W60-L130 HydrophobicContact CB-CD2 4.2Å; W60-L130 HydrophobicContact CD2-CB 3.8Å; W60-L130 HydrophobicContact CD2-CD2 3.98Å; W60-L130 HydrophobicContact CD2-CG 4.37Å; W60-L130 HydrophobicContact CE3-CB 4.39Å; W60-L130 HydrophobicContact CE3-CD2 4.11Å; W60-L130 HydrophobicContact CG-CB 4.08Å; W60-L130 HydrophobicContact CG-CD1 4.13Å; W60-L130 HydrophobicContact CG-CD2 4.05Å; W60-L130 HydrophobicContact CG-CG 4.32Å; W60-L130 HydrophobicContact CH2-CB 4.38Å; W60-L130 HydrophobicContact CZ2-CB 3.81Å; V102-L130 HydrophobicContact CG1-CD1 4.46Å; V102-L130 HydrophobicContact CG1-CD2 4.28Å; A103-L130 HydrophobicContact CB-CD1 4.1Å; I122-L130 HydrophobicContact CG2-CD1 3.72Å; I122-L130 HydrophobicContact CG2-CG 4.41Å; I124-L130 HydrophobicContact CG1-CD1 4.06Å; A128-L130 PolarHBondContact O-N 2.87Å; L130-I132 HydrophobicContact CD2-CD1 4.22Å; L130-I132 HydrophobicContact CD2-CG1 4.36Å; L130-I132 HydrophobicContact CG-CG1 4.35Å; L130-Y143 HydrophobicContact CD2-CD1 3.75Å; L130-Y143 HydrophobicContact CD2-CE1 3.98Å |
| 131 | V | 95.3 | Very high | 92.8 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.055 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 117.3 | 177.9 | -175 | 0 | 0 | 0 | 0 | 110 | V41 V42 I122 T123 Q125 | V41-V131 WeakPolarHBondContact O-CA 3Å; V42-V131 HydrophobicContact CG1-CG2 4.14Å; V42-V131 HydrophobicContact CG2-CG1 4.31Å; V42-V131 HydrophobicContact CG2-CG2 3.98Å; I122-V131 CarbonylContact C-O 3.59Å; I122-V131 WeakPolarHBondContact CA-O 3.41Å; T123-V131 PolarHBondContact N-O 2.83Å; T123-V131 PolarHBondContact O-N 2.89Å; Q125-V131 HydrophobicContact CB-CG2 4.11Å; Q125-V131 VanDerWaalsContact CD-CG2 3.5Å; Q125-V131 HydrophobicContact CG-CG2 3.75Å |
| 132 | I | 95.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 110.7 | 174.2 | -57.6 | 169.9 | 0 | 0 | 0 | 106.7 | S40 V41 I122 L130 V135 Y143 L163 | S40-I132 CarbonylContact C-O 3.59Å; S40-I132 VanDerWaalsContact CA-O 3.31Å; S40-I132 WeakPolarHBondContact CA-O 3.47Å; V41-I132 HydrophobicContact CG1-CB 3.96Å; V41-I132 HydrophobicContact CG1-CD1 4.35Å; V41-I132 PolarHBondContact N-O 3.43Å; V41-I132 PolarHBondContact O-N 3.41Å; I122-I132 HydrophobicContact CD1-CG1 4.27Å; I122-I132 HydrophobicContact CD1-CG2 4.34Å; I122-I132 HydrophobicContact CG1-CB 4.33Å; I122-I132 HydrophobicContact CG1-CG1 4.1Å; I122-I132 HydrophobicContact CG1-CG2 4.1Å; I122-I132 HydrophobicContact CG2-CG1 4.15Å; L130-I132 HydrophobicContact CD2-CD1 4.22Å; L130-I132 HydrophobicContact CD2-CG1 4.36Å; L130-I132 HydrophobicContact CG-CG1 4.35Å; I132-V135 HydrophobicContact CB-CG2 4.25Å; I132-V135 HydrophobicContact CG2-CG2 3.76Å; I132-Y143 HydrophobicContact CD1-CE1 3.94Å; I132-L163 HydrophobicContact CD1-CD2 4.2Å |
| 133 | N | 93.4 | Very high | 93 | Very high | 70 Ų | 70 | 43 Ų | 43 | 37% | 0.374 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -78.3 | -25.9 | -174.7 | -68.1 | -69.1 | 0 | 0 | 0 | 113.8 | S40 K121 | S40-N133 WeakPolarHBondContact CA-O 3.22Å; S40-N133 WeakPolarHBondContact CB-O 3.32Å; K121-N133 HydrophobicContact CB-CB 4.06Å; K121-N133 WeakPolarHBondContact O-CB 3.36Å; K121-N133 PolarHBondContact O-N 3.49Å; K121-N133 PolarHBondContact O-ND2 2.8Å |
| 134 | E | 93.8 | Very high | 93.1 | Very high | 74 Ų | 74 | 42.2 Ų | 42.2 | 35% | 0.346 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -135.2 | 86.6 | -173.8 | -70.6 | 168.2 | -172.7 | 0 | 0 | 108.6 | K121 M136 | K121-E134 WeakPolarHBondContact CD-OE1 3.21Å; K121-E134 WeakPolarHBondContact CE-OE1 3.41Å; K121-E134 IonicContact NZ-OE1 3.46Å; K121-E134 PolarHBondContact NZ-OE1 2.96Å; K121-E134 IonicContact NZ-OE2 3.16Å; E134-M136 HydrophobicContact CB-CE 4.36Å |
| 135 | V | 94.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -74.3 | 131.1 | -179.1 | 172 | 0 | 0 | 0 | 0 | 111.2 | V35 F38 A39 V41 I132 V165 | V35-V135 HydrophobicContact CG1-CB 4.3Å; V35-V135 HydrophobicContact CG1-CG1 4.29Å; V35-V135 HydrophobicContact CG1-CG2 4.16Å; F38-V135 PolarHBondContact N-O 3.15Å; A39-V135 WeakPolarHBondContact O-CB 3.43Å; A39-V135 WeakPolarHBondContact O-CG2 3.32Å; A39-V135 PolarHBondContact O-N 3.36Å; V41-V135 HydrophobicContact CB-CG2 4.23Å; V41-V135 HydrophobicContact CG1-CG2 3.5Å; I132-V135 HydrophobicContact CB-CG2 4.25Å; I132-V135 HydrophobicContact CG2-CG2 3.76Å; V135-V165 HydrophobicContact CG1-CB 4.49Å; V135-V165 HydrophobicContact CG1-CG1 4.08Å; V135-V165 HydrophobicContact CG1-CG2 3.58Å | ||
| 136 | M | 92.8 | Very high | 93.3 | Very high | 38 Ų | 38 | 37.8 Ų | 37.8 | 19% | 0.187 | 16% | 0.164 | C | C | . | . | trans | -120.8 | 169.3 | -177.8 | -60.4 | -81 | 178.1 | 0 | 0 | 111 | F38 E134 W138 D139 | F38-M136 HydrophobicContact CD1-CE 3.8Å; F38-M136 HydrophobicContact CD1-SD 3.95Å; F38-M136 HydrophobicContact CE1-CE 3.74Å; F38-M136 HydrophobicContact CE1-SD 3.55Å; F38-M136 VanDerWaalsContact CE1-SD 3.55Å; F38-M136 HydrophobicContact CZ-SD 4.43Å; E134-M136 HydrophobicContact CB-CE 4.36Å; M136-W138 VanDerWaalsContact C-N 3.34Å; M136-W138 HydrophobicContact CB-CD2 3.97Å; M136-W138 HydrophobicContact CB-CE3 4.42Å; M136-W138 HydrophobicContact CB-CH2 3.8Å; M136-W138 HydrophobicContact CB-CZ2 3.25Å; M136-W138 HydrophobicContact CB-CZ3 4.34Å; M136-W138 HydrophobicContact CG-CH2 3.89Å; M136-W138 HydrophobicContact CG-CZ2 3.4Å; M136-W138 PolarHBondContact O-N 2.9Å; M136-W138 HydrophobicContact SD-CH2 4.17Å; M136-W138 HydrophobicContact SD-CZ2 4.27Å; M136-D139 WeakPolarHBondContact CB-OD2 3.41Å; M136-D139 PolarHBondContact N-OD2 2.61Å; M136-D139 WeakPolarHBondContact O-CB 3.47Å; M136-D139 PolarHBondContact O-N 3.45Å | ||
| 137 | W | 91.4 | Very high | 93.7 | Very high | 167 Ų | 167 | 32.7 Ų | 32.7 | 63% | 0.633 | 14% | 0.137 | S | C | * | . | G | 310 helix | trans | -65.9 | -32.3 | -170.3 | 63.2 | -93.6 | 0 | 0 | 0 | 114 | L37 D139 H140 H167 | L37-W137 HydrophobicContact CD2-CB 3.88Å; W137-D139 VanDerWaalsContact C-N 3.27Å; W137-D139 PolarHBondContact O-N 2.87Å; W137-H140 VanDerWaalsContact O-CB 3.29Å; W137-H140 WeakPolarHBondContact O-CB 3.37Å; W137-H140 PolarHBondContact O-N 2.7Å; W137-H167 HydrophobicContact CB-CB 4.34Å |
| 138 | W | 90.1 | Very high | 94 | Very high | 99 Ų | 99 | 29.3 Ų | 29.3 | 38% | 0.375 | 13% | 0.128 | S | C | . | . | G | 310 helix | trans | -76.8 | -9.4 | 175.4 | 59.1 | 64.3 | 0 | 0 | 0 | 113.3 | R120 M136 H140 | R120-W138 VanDerWaalsContact NH1-NE1 3.1Å; M136-W138 VanDerWaalsContact C-N 3.34Å; M136-W138 HydrophobicContact CB-CD2 3.97Å; M136-W138 HydrophobicContact CB-CE3 4.42Å; M136-W138 HydrophobicContact CB-CH2 3.8Å; M136-W138 HydrophobicContact CB-CZ2 3.25Å; M136-W138 HydrophobicContact CB-CZ3 4.34Å; M136-W138 HydrophobicContact CG-CH2 3.89Å; M136-W138 HydrophobicContact CG-CZ2 3.4Å; M136-W138 PolarHBondContact O-N 2.9Å; M136-W138 HydrophobicContact SD-CH2 4.17Å; M136-W138 HydrophobicContact SD-CZ2 4.27Å; W138-H140 PolarHBondContact O-N 3.29Å |
| 139 | D | 93.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -81.7 | 7.8 | 175 | -57.7 | -48.3 | 0 | 0 | 0 | 110.8 | R120 M136 W137 G141 Y143 | R120-D139 IonicContact CZ-OD1 3.33Å; R120-D139 VanDerWaalsContact NH1-CG 3.32Å; R120-D139 IonicContact NH1-OD1 3.66Å; R120-D139 PolarHBondContact NH1-OD1 3.21Å; R120-D139 IonicContact NH1-OD2 2.67Å; R120-D139 PolarHBondContact NH1-OD2 2.98Å; R120-D139 IonicContact NH2-OD1 2.86Å; M136-D139 WeakPolarHBondContact CB-OD2 3.41Å; M136-D139 PolarHBondContact N-OD2 2.61Å; M136-D139 WeakPolarHBondContact O-CB 3.47Å; M136-D139 PolarHBondContact O-N 3.45Å; W137-D139 VanDerWaalsContact C-N 3.27Å; W137-D139 PolarHBondContact O-N 2.87Å; D139-G141 PolarHBondContact O-N 2.96Å; D139-Y143 WeakPolarHBondContact O-CE2 3.33Å; D139-Y143 PolarHBondContact O-OH 2.67Å |
| 140 | H | 93.9 | Very high | 93.5 | Very high | 23 Ų | 23 | 33 Ų | 33 | 11% | 0.106 | 15% | 0.154 | C | C | . | . | trans | -70.5 | 107.7 | 169.7 | -174.5 | -101.7 | 0 | 0 | 0 | 110.3 | F65 D68 W137 W138 V165 | F65-H140 AromaticContact CD2-CE1 3.37Å; F65-H140 WeakPolarHBondContact CD2-CE1 3.2Å; F65-H140 AromaticContact CD2-ND1 3.33Å; F65-H140 VanDerWaalsContact CD2-ND1 3.33Å; F65-H140 WeakPolarHBondContact CD2-ND1 3.02Å; F65-H140 AromaticContact CE2-CD2 4Å; F65-H140 AromaticContact CE2-CE1 3.47Å; F65-H140 VanDerWaalsContact CE2-CE1 3.47Å; F65-H140 WeakPolarHBondContact CE2-CE1 3.4Å; F65-H140 AromaticContact CE2-CG 3.85Å; F65-H140 AromaticContact CE2-ND1 3.54Å; F65-H140 AromaticContact CE2-NE2 3.75Å; D68-H140 IonicContact OD1-CE1 2.7Å; D68-H140 PolarHBondContact OD1-CE1 2.95Å; D68-H140 IonicContact OD1-ND1 3Å; W137-H140 VanDerWaalsContact O-CB 3.29Å; W137-H140 WeakPolarHBondContact O-CB 3.37Å; W137-H140 PolarHBondContact O-N 2.7Å; W138-H140 PolarHBondContact O-N 3.29Å; H140-V165 HydrophobicContact CB-CB 4.22Å; H140-V165 HydrophobicContact CB-CG2 4.22Å; H140-V165 PolarHBondContact CD2-N 2.92Å | ||
| 141 | G | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.4 | -175.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | F65 D139 L163 | F65-G141 WeakPolarHBondContact CZ-O 3.2Å; D139-G141 PolarHBondContact O-N 2.96Å; G141-L163 PolarHBondContact N-O 2.79Å; G141-L163 PolarHBondContact O-N 2.67Å |
| 142 | V | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 120.9 | 173.9 | -171 | 0 | 0 | 0 | 0 | 109.1 | K63 F65 N90 Y144 E160 | K63-V142 PolarHBondContact N-O 2.94Å; K63-V142 PolarHBondContact O-N 3.41Å; F65-V142 HydrophobicContact CD1-CG2 3.55Å; F65-V142 HydrophobicContact CE1-CG2 3.53Å; F65-V142 HydrophobicContact CG-CG2 4.47Å; F65-V142 HydrophobicContact CZ-CG2 4.44Å; N90-V142 HydrophobicContact CB-CG2 4.47Å; V142-Y144 HydrophobicContact CB-CE2 4.27Å; V142-Y144 HydrophobicContact CG1-CD2 4.03Å; V142-Y144 HydrophobicContact CG1-CE2 3.57Å; V142-E160 HydrophobicContact CG1-CB 3.69Å |
| 143 | Y | 96.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 117.2 | 178.4 | -74.2 | -106.5 | 0 | 0 | 0 | 109.4 | L43 F62 V102 L130 I132 D139 E160 V161 L163 | L43-Y143 HydrophobicContact CD1-CD1 3.76Å; L43-Y143 HydrophobicContact CD1-CD2 3.9Å; L43-Y143 HydrophobicContact CD1-CE1 4.41Å; L43-Y143 HydrophobicContact CD1-CG 3.47Å; L43-Y143 VanDerWaalsContact CD1-CG 3.47Å; F62-Y143 HydrophobicContact CB-CE1 4.47Å; F62-Y143 HydrophobicContact CD2-CD2 4.24Å; F62-Y143 HydrophobicContact CD2-CE1 4.13Å; F62-Y143 AromaticContact CD2-CE2 3.62Å; F62-Y143 HydrophobicContact CD2-CE2 3.62Å; F62-Y143 AromaticContact CD2-CZ 3.57Å; F62-Y143 HydrophobicContact CE2-CE2 4.03Å; V102-Y143 HydrophobicContact CG2-CD1 4.29Å; V102-Y143 HydrophobicContact CG2-CE1 3.95Å; L130-Y143 HydrophobicContact CD2-CD1 3.75Å; L130-Y143 HydrophobicContact CD2-CE1 3.98Å; I132-Y143 HydrophobicContact CD1-CE1 3.94Å; D139-Y143 WeakPolarHBondContact O-CE2 3.33Å; D139-Y143 PolarHBondContact O-OH 2.67Å; Y143-E160 CarbonylContact O-C 3.59Å; Y143-V161 PolarHBondContact N-O 3.32Å; Y143-V161 PolarHBondContact O-N 3.48Å; Y143-L163 HydrophobicContact CD2-CB 3.72Å; Y143-L163 HydrophobicContact CD2-CD2 4.28Å; Y143-L163 HydrophobicContact CE2-CB 3.66Å; Y143-L163 HydrophobicContact CE2-CD2 3.58Å; Y143-L163 HydrophobicContact CE2-CG 4.18Å |
| 144 | Y | 95.5 | Very high | 90.6 | Very high | 30 Ų | 30 | 41.4 Ų | 41.4 | 12% | 0.118 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 121.7 | 173.8 | -76.1 | -99.5 | 0 | 0 | 0 | 109.9 | W60 R61 K63 N90 V142 K159 E160 | W60-Y144 WeakPolarHBondContact CA-O 3.47Å; R61-Y144 PolarHBondContact N-O 3.49Å; R61-Y144 PolarHBondContact O-N 3.05Å; K63-Y144 HydrophobicContact CD-CD2 3.94Å; K63-Y144 HydrophobicContact CD-CE2 3.62Å; K63-Y144 HydrophobicContact CG-CD2 3.92Å; K63-Y144 HydrophobicContact CG-CE2 4Å; N90-Y144 PolarHBondContact ND2-OH 3.15Å; N90-Y144 PolarHBondContact OD1-OH 3.3Å; V142-Y144 HydrophobicContact CB-CE2 4.27Å; V142-Y144 HydrophobicContact CG1-CD2 4.03Å; V142-Y144 HydrophobicContact CG1-CE2 3.57Å; Y144-K159 WeakPolarHBondContact CA-O 3.47Å; Y144-E160 HydrophobicContact CD1-CB 4.16Å; Y144-E160 HydrophobicContact CE1-CB 3.86Å; Y144-E160 HydrophobicContact CE2-CB 4.27Å |
| 145 | C | 95.7 | Very high | 90 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 114.4 | 164 | -171 | 0 | 0 | 0 | 0 | 107.8 | C45 W60 I147 D158 K159 | C45-C145 HydrophobicContact CB-CB 3.76Å; C45-C145 WeakPolarHBondContact CB-SG 3.39Å; C45-C145 WeakPolarHBondContact SG-CB 3.47Å; C45-C145 CovalentContact SG-SG 2.03Å; C45-C145 PolarHBondContact SG-SG 3.11Å; W60-C145 HydrophobicContact CD2-CB 4.2Å; W60-C145 HydrophobicContact CE3-CB 4.09Å; W60-C145 HydrophobicContact CH2-CB 3.67Å; W60-C145 HydrophobicContact CZ2-CB 3.74Å; W60-C145 HydrophobicContact CZ3-CB 3.82Å; C145-I147 VanDerWaalsContact SG-CD1 3.51Å; C145-D158 WeakPolarHBondContact O-CA 3.46Å; C145-K159 PolarHBondContact N-O 3.41Å; C145-K159 PolarHBondContact O-N 3.24Å |
| 146 | T | 94.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 120.5 | -172.4 | 68 | 0 | 0 | 0 | 0 | 109.1 | T59 R61 P157 D158 | T59-T146 WeakPolarHBondContact CB-OG1 3.35Å; T59-T146 PolarHBondContact N-O 3.36Å; T59-T146 PolarHBondContact O-N 2.68Å; T59-T146 VanDerWaalsContact O-O 3.11Å; T59-T146 PolarHBondContact O-OG1 3.43Å; R61-T146 HydrophobicContact CG-CG2 4.32Å; R61-T146 VanDerWaalsContact CZ-OG1 3.27Å; R61-T146 VanDerWaalsContact NH1-CB 3.35Å; R61-T146 PolarHBondContact NH1-OG1 3.31Å; T146-P157 WeakPolarHBondContact CA-O 3.34Å; T146-D158 WeakPolarHBondContact CA-OD1 3.4Å; T146-D158 WeakPolarHBondContact CB-OD1 3.46Å; T146-D158 HydrophobicContact CG2-CB 4.06Å; T146-D158 WeakPolarHBondContact CG2-OD1 3.07Å; T146-D158 WeakPolarHBondContact CG2-OD2 3.48Å |
| 147 | I | 93.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 126.9 | -176.6 | -71.1 | 90.1 | 0 | 0 | 0 | 110.3 | L24 V26 Y47 V56 V57 V58 C145 P157 | L24-I147 HydrophobicContact CD1-CB 4.39Å; L24-I147 HydrophobicContact CD1-CG2 3.82Å; L24-I147 HydrophobicContact CD2-CB 4.32Å; L24-I147 HydrophobicContact CD2-CG2 4.19Å; L24-I147 WeakPolarHBondContact CD2-O 3.49Å; V26-I147 HydrophobicContact CB-CD1 4.41Å; V26-I147 HydrophobicContact CG1-CD1 3.82Å; V26-I147 HydrophobicContact CG2-CB 4.15Å; V26-I147 HydrophobicContact CG2-CD1 3.66Å; V26-I147 HydrophobicContact CG2-CG1 4.39Å; Y47-I147 HydrophobicContact CD1-CD1 4.22Å; Y47-I147 HydrophobicContact CD1-CG1 3.94Å; Y47-I147 HydrophobicContact CD2-CG2 4.32Å; Y47-I147 HydrophobicContact CE1-CG1 4.48Å; Y47-I147 HydrophobicContact CG-CD1 4.39Å; Y47-I147 HydrophobicContact CG-CG1 4.06Å; Y47-I147 HydrophobicContact CG-CG2 4.45Å; V56-I147 HydrophobicContact CG1-CG2 3.52Å; V57-I147 WeakPolarHBondContact O-CA 3.37Å; V58-I147 HydrophobicContact CG1-CG1 4.42Å; V58-I147 HydrophobicContact CG2-CG1 4.08Å; C145-I147 VanDerWaalsContact SG-CD1 3.51Å; I147-P157 PolarHBondContact N-O 3.29Å |
| 148 | E | 91.9 | Very high | 89.4 | Confident | 93 Ų | 93 | 40.2 Ų | 40.2 | 44% | 0.435 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 104.3 | 177.2 | -69.9 | 165.5 | -158 | 0 | 0 | 108.2 | V57 R61 | V57-E148 HydrophobicContact CB-CB 4.29Å; V57-E148 PolarHBondContact N-O 3.31Å; V57-E148 PolarHBondContact O-N 3.29Å; R61-E148 IonicContact CZ-OE1 3.52Å; R61-E148 IonicContact NH1-OE1 2.7Å; R61-E148 IonicContact NH2-OE1 3.15Å; R61-E148 PolarHBondContact NH2-OE1 3.03Å |
| 149 | A | 90.6 | Very high | 89.6 | Confident | 12 Ų | 12 | 38.2 Ų | 38.2 | 10% | 0.099 | 24% | 0.239 | C | C | . | . | trans | -112.8 | 126.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L24 A51 V56 G151 D152 | L24-A149 HydrophobicContact CD1-CB 4.39Å; A51-A149 HydrophobicContact CB-CB 4.15Å; V56-A149 HydrophobicContact CG1-CB 4.36Å; V56-A149 HydrophobicContact CG2-CB 4.11Å; A149-G151 PolarHBondContact O-N 3.45Å; A149-G151 VanDerWaalsContact O-N 3.14Å; A149-D152 HydrophobicContact CB-CB 4.17Å; A149-D152 PolarHBondContact O-N 2.86Å | ||
| 150 | P | 86 | Confident | 89.6 | Confident | 77 Ų | 77 | 42 Ų | 42 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 112.6 | -174.5 | 28.2 | -34.9 | 0 | 0 | 0 | 111.6 | A51 D55 | A51-P150 WeakPolarHBondContact CB-O 3.21Å; D55-P150 HydrophobicContact CB-CG 3.81Å |
| 151 | G | 81.1 | Confident | 89.7 | Confident | 48 Ų | 48 | 40.9 Ų | 40.9 | 50% | 0.495 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106.5 | -27.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | A149 T153 | A149-G151 PolarHBondContact O-N 3.45Å; A149-G151 VanDerWaalsContact O-N 3.14Å; G151-T153 PolarHBondContact O-N 3.04Å |
| 152 | D | 81.9 | Confident | 89.7 | Confident | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.032 | 26% | 0.256 | C | S | . | . | trans | -94.1 | 77.1 | 179.7 | -66.2 | -14.2 | 0 | 0 | 0 | 111 | L22 L24 T49 S50 A51 A149 | L22-D152 WeakPolarHBondContact CB-OD1 3.27Å; L24-D152 HydrophobicContact CB-CB 4.03Å; T49-D152 WeakPolarHBondContact CA-OD2 3.38Å; T49-D152 WeakPolarHBondContact CB-OD2 3.46Å; T49-D152 PolarHBondContact OG1-OD2 2.93Å; S50-D152 PolarHBondContact N-OD2 2.94Å; S50-D152 PolarHBondContact OG-OD1 3.17Å; S50-D152 PolarHBondContact OG-OD2 3.31Å; A51-D152 PolarHBondContact N-OD2 2.93Å; A149-D152 HydrophobicContact CB-CB 4.17Å; A149-D152 PolarHBondContact O-N 2.86Å | ||
| 153 | T | 79.4 | Confident | 89.7 | Confident | 136 Ų | 136 | 42 Ų | 42 | 83% | 0.834 | 26% | 0.256 | S | S | * | . | trans | -95.4 | 6 | 177.4 | 61.4 | 0 | 0 | 0 | 0 | 114 | G151 | G151-T153 PolarHBondContact O-N 3.04Š| ||
| 154 | S | 77.5 | Confident | 89.6 | Confident | 65 Ų | 65 | 42 Ų | 42 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -107.9 | 122.5 | -179.7 | -1.1 | 0 | 0 | 0 | 0 | 111.1 | L22 S23 L24 | L22-S154 WeakPolarHBondContact O-CB 3.49Å; L22-S154 PolarHBondContact O-OG 3.43Å; S23-S154 WeakPolarHBondContact CA-O 3.48Å; L24-S154 PolarHBondContact N-O 2.84Å |
| 155 | G | 80.6 | Confident | 89.6 | Confident | 54 Ų | 54 | 40.6 Ų | 40.6 | 56% | 0.557 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 128.4 | -168.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L24 P157 | L24-G155 WeakPolarHBondContact O-CA 3.4Å; G155-P157 WeakPolarHBondContact O-CD 3.48Å |
| 156 | D | 84.6 | Confident | 89.5 | Confident | 88 Ų | 88 | 42 Ų | 42 | 47% | 0.471 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 108 | 173.5 | -70 | -20.3 | 0 | 0 | 0 | 109.2 | D158 K159 | D156-D158 VanDerWaalsContact C-N 3.32Å; D156-K159 IonicContact OD2-NZ 2.68Å; D156-K159 PolarHBondContact OD2-NZ 3Å |
| 157 | P | 88.6 | Confident | 89.4 | Confident | 58 Ų | 58 | 44.8 Ų | 44.8 | 38% | 0.377 | 27% | 0.271 | S | S | . | . | trans | -79.5 | -15 | -179.4 | 33.4 | -37 | 0 | 0 | 0 | 113.6 | L24 V26 T146 I147 G155 | L24-P157 HydrophobicContact CD2-CB 3.81Å; V26-P157 VanDerWaalsContact CG2-O 3.3Å; V26-P157 WeakPolarHBondContact CG2-O 3.45Å; T146-P157 WeakPolarHBondContact CA-O 3.34Å; I147-P157 PolarHBondContact N-O 3.29Å; G155-P157 WeakPolarHBondContact O-CD 3.48Å | ||
| 158 | D | 92.4 | Very high | 89.2 | Confident | 54 Ų | 54 | 49 Ų | 49 | 29% | 0.289 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 137.7 | -167.9 | -73.7 | 21.4 | 0 | 0 | 0 | 110.1 | R61 C145 T146 D156 | R61-D158 IonicContact NH1-OD2 2.68Å; C145-D158 WeakPolarHBondContact O-CA 3.46Å; T146-D158 WeakPolarHBondContact CA-OD1 3.4Å; T146-D158 WeakPolarHBondContact CB-OD1 3.46Å; T146-D158 HydrophobicContact CG2-CB 4.06Å; T146-D158 WeakPolarHBondContact CG2-OD1 3.07Å; T146-D158 WeakPolarHBondContact CG2-OD2 3.48Å; D156-D158 VanDerWaalsContact C-N 3.32Å |
| 159 | K | 93.9 | Very high | 89.2 | Confident | 58 Ų | 58 | 46.8 Ų | 46.8 | 25% | 0.252 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 139.9 | 167.7 | -65.7 | -63.5 | 164.1 | -161.7 | 0 | 112.4 | V26 V28 Y144 C145 D156 | V26-K159 HydrophobicContact CB-CG 4.03Å; V26-K159 HydrophobicContact CG1-CB 4.13Å; V26-K159 HydrophobicContact CG1-CG 3.93Å; V26-K159 WeakPolarHBondContact O-CG 3.43Å; V28-K159 HydrophobicContact CG2-CB 3.66Å; Y144-K159 WeakPolarHBondContact CA-O 3.47Å; C145-K159 PolarHBondContact N-O 3.41Å; C145-K159 PolarHBondContact O-N 3.24Å; D156-K159 IonicContact OD2-NZ 2.68Å; D156-K159 PolarHBondContact OD2-NZ 3Å |
| 160 | E | 93.6 | Very high | 89.2 | Confident | 78 Ų | 78 | 47.5 Ų | 47.5 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 149.2 | -180 | 65.1 | -80.7 | -171.6 | 0 | 0 | 114.7 | V142 Y143 Y144 | V142-E160 HydrophobicContact CG1-CB 3.69Å; Y143-E160 CarbonylContact O-C 3.59Å; Y144-E160 HydrophobicContact CD1-CB 4.16Å; Y144-E160 HydrophobicContact CE1-CB 3.86Å; Y144-E160 HydrophobicContact CE2-CB 4.27Å |
| 161 | V | 95.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 113.1 | 172.6 | -175.1 | 0 | 0 | 0 | 0 | 108 | V28 T31 L43 W60 Y143 L163 | V28-V161 HydrophobicContact CG1-CG2 3.76Å; V28-V161 HydrophobicContact CG2-CG2 3.95Å; T31-V161 CarbonylContact O-C 3.52Å; L43-V161 HydrophobicContact CB-CG1 4.33Å; L43-V161 HydrophobicContact CD1-CG1 4.3Å; L43-V161 HydrophobicContact CD2-CG1 3.98Å; L43-V161 HydrophobicContact CG-CG1 4.43Å; W60-V161 HydrophobicContact CH2-CG2 4.18Å; W60-V161 HydrophobicContact CZ3-CG2 4.21Å; Y143-V161 PolarHBondContact N-O 3.32Å; Y143-V161 PolarHBondContact O-N 3.48Å; V161-L163 PolarHBondContact O-N 3.14Å |
| 162 | K | 95.1 | Very high | 90.1 | Very high | 22 Ų | 22 | 49.2 Ų | 49.2 | 10% | 0.096 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 122 | 173.9 | -54.2 | -174.8 | -163.6 | 168.3 | 0 | 109.7 | T31 E32 R33 F65 D87 I164 | T31-K162 PolarHBondContact O-N 2.85Å; E32-K162 CarbonylContact C-O 3.55Å; E32-K162 HydrophobicContact CG-CB 4.26Å; E32-K162 HydrophobicContact CG-CD 4.04Å; E32-K162 HydrophobicContact CG-CG 4.39Å; E32-K162 WeakPolarHBondContact OE1-CD 3.42Å; E32-K162 WeakPolarHBondContact OE1-CE 3.4Å; E32-K162 IonicContact OE1-NZ 3.17Å; E32-K162 PolarHBondContact OE1-NZ 2.8Å; R33-K162 PolarHBondContact N-O 2.78Å; F65-K162 HydrophobicContact CE1-CB 4.08Å; F65-K162 HydrophobicContact CE1-CD 4.27Å; F65-K162 HydrophobicContact CE1-CG 4.17Å; F65-K162 HydrophobicContact CZ-CB 4.16Å; D87-K162 IonicContact OD1-NZ 3.25Å; D87-K162 WeakPolarHBondContact OD2-CE 3.38Å; D87-K162 IonicContact OD2-NZ 2.72Å; D87-K162 PolarHBondContact OD2-NZ 3.22Å; K162-I164 HydrophobicContact CB-CD1 3.8Å |
| 163 | L | 95.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 104.2 | 172.4 | 178.3 | 55 | 0 | 0 | 0 | 109.6 | V35 V41 L43 I132 G141 Y143 V161 V165 | V35-L163 HydrophobicContact CB-CD1 4.17Å; V35-L163 HydrophobicContact CG2-CD1 3.5Å; V41-L163 HydrophobicContact CG1-CD1 4.37Å; V41-L163 HydrophobicContact CG1-CD2 4.26Å; V41-L163 HydrophobicContact CG2-CD1 4.37Å; L43-L163 HydrophobicContact CD2-CD1 4.37Å; I132-L163 HydrophobicContact CD1-CD2 4.2Å; G141-L163 PolarHBondContact N-O 2.79Å; G141-L163 PolarHBondContact O-N 2.67Å; Y143-L163 HydrophobicContact CD2-CB 3.72Å; Y143-L163 HydrophobicContact CD2-CD2 4.28Å; Y143-L163 HydrophobicContact CE2-CB 3.66Å; Y143-L163 HydrophobicContact CE2-CD2 3.58Å; Y143-L163 HydrophobicContact CE2-CG 4.18Å; V161-L163 PolarHBondContact O-N 3.14Å; L163-V165 HydrophobicContact CG-CG2 4.29Å |
| 164 | I | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 97.7 | -177.8 | -51.8 | 91.3 | 0 | 0 | 0 | 109.6 | E32 R33 Y34 V35 F65 P69 I70 K162 L166 | E32-I164 HydrophobicContact CB-CD1 4.16Å; R33-I164 PolarHBondContact O-N 3.02Å; Y34-I164 WeakPolarHBondContact CA-O 3.36Å; Y34-I164 HydrophobicContact CD1-CB 3.69Å; Y34-I164 HydrophobicContact CD1-CD1 4.39Å; Y34-I164 HydrophobicContact CD1-CG1 4.35Å; Y34-I164 HydrophobicContact CD1-CG2 3.86Å; Y34-I164 HydrophobicContact CE1-CB 3.75Å; Y34-I164 HydrophobicContact CE1-CD1 3.99Å; Y34-I164 HydrophobicContact CE1-CG1 3.94Å; Y34-I164 HydrophobicContact CE1-CG2 3.81Å; Y34-I164 HydrophobicContact CE2-CD1 4.24Å; Y34-I164 HydrophobicContact CG-CB 4.43Å; V35-I164 PolarHBondContact N-O 3.28Å; F65-I164 HydrophobicContact CZ-CG1 4.28Å; P69-I164 HydrophobicContact CG-CG1 4.13Å; I70-I164 HydrophobicContact CD1-CG2 3.47Å; I70-I164 VanDerWaalsContact CD1-CG2 3.47Å; I70-I164 HydrophobicContact CG1-CG2 3.92Å; K162-I164 HydrophobicContact CB-CD1 3.8Å; I164-L166 PolarHBondContact O-N 2.78Å |
| 165 | V | 95.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 112.4 | 174.9 | -174.1 | 0 | 0 | 0 | 0 | 111.3 | V35 L37 V135 H140 L163 H167 | V35-V165 CarbonylContact O-C 3.54Å; V35-V165 WeakPolarHBondContact O-CA 3.5Å; L37-V165 HydrophobicContact CD2-CG1 3.58Å; L37-V165 HydrophobicContact CG-CG1 4.41Å; V135-V165 HydrophobicContact CG1-CB 4.49Å; V135-V165 HydrophobicContact CG1-CG1 4.08Å; V135-V165 HydrophobicContact CG1-CG2 3.58Å; H140-V165 HydrophobicContact CB-CB 4.22Å; H140-V165 HydrophobicContact CB-CG2 4.22Å; H140-V165 PolarHBondContact CD2-N 2.92Å; L163-V165 HydrophobicContact CG-CG2 4.29Å; V165-H167 PolarHBondContact O-CD2 3.49Å; V165-H167 PolarHBondContact O-N 2.99Å |
| 166 | L | 93.4 | Very high | 92.9 | Very high | 31 Ų | 31 | 58.6 Ų | 58.6 | 16% | 0.162 | 30% | 0.295 | C | S | . | . | trans | -77.4 | 54.3 | -178.8 | -63.4 | 175.3 | 0 | 0 | 0 | 112.8 | Y34 V35 I70 I164 W168 L169 | Y34-L166 HydrophobicContact CD1-CD2 4.29Å; V35-L166 PolarHBondContact O-N 3.39Å; I70-L166 HydrophobicContact CD1-CD2 3.53Å; I164-L166 PolarHBondContact O-N 2.78Å; L166-W168 HydrophobicContact CD2-CZ2 4.4Å; L166-W168 PolarHBondContact O-N 3.14Å; L166-L169 HydrophobicContact CB-CB 4.16Å; L166-L169 HydrophobicContact CB-CD2 4.43Å; L166-L169 HydrophobicContact CD1-CD2 4.17Å; L166-L169 WeakPolarHBondContact O-CB 3.04Å; L166-L169 PolarHBondContact O-N 3.13Å | ||
| 167 | H | 91.2 | Very high | 93.5 | Very high | 57 Ų | 57 | 56.1 Ų | 56.1 | 26% | 0.264 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | -175.9 | 68.2 | 93.6 | 0 | 0 | 0 | 112.9 | L37 F71 W137 V165 L169 T170 V171 | L37-H167 HydrophobicContact CD1-CB 4.04Å; L37-H167 HydrophobicContact CD2-CB 4.07Å; L37-H167 HydrophobicContact CG-CB 4.08Å; F71-H167 AromaticContact CE2-CE1 3.91Å; F71-H167 AromaticContact CE2-NE2 3.53Å; F71-H167 AromaticContact CZ-CE1 3.96Å; F71-H167 AromaticContact CZ-NE2 3.94Å; W137-H167 HydrophobicContact CB-CB 4.34Å; V165-H167 PolarHBondContact O-CD2 3.49Å; V165-H167 PolarHBondContact O-N 2.99Å; H167-L169 VanDerWaalsContact C-N 3.27Å; H167-L169 PolarHBondContact O-N 3.36Å; H167-T170 PolarHBondContact O-N 3.37Å; H167-T170 VanDerWaalsContact O-N 3.11Å; H167-T170 PolarHBondContact O-OG1 3.46Å; H167-V171 PolarHBondContact O-N 3.41Å |
| 168 | W | 90.8 | Very high | 93.9 | Very high | 90 Ų | 90 | 55.7 Ų | 55.7 | 34% | 0.341 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.7 | -37.4 | 177.3 | 63.4 | -89.6 | 0 | 0 | 0 | 112.9 | F71 L166 T170 V171 I172 | F71-W168 HydrophobicContact CE1-CB 4.47Å; F71-W168 HydrophobicContact CZ-CB 4Å; F71-W168 AromaticContact CZ-CD1 3.96Å; F71-W168 HydrophobicContact CZ-CG 4.16Å; L166-W168 HydrophobicContact CD2-CZ2 4.4Å; L166-W168 PolarHBondContact O-N 3.14Å; W168-T170 VanDerWaalsContact C-N 3.3Å; W168-T170 PolarHBondContact O-N 2.87Å; W168-V171 WeakPolarHBondContact O-CB 3.46Å; W168-V171 PolarHBondContact O-N 2.84Å; W168-V171 VanDerWaalsContact O-N 3.15Å; W168-I172 HydrophobicContact CE3-CD1 3.64Å; W168-I172 HydrophobicContact CZ3-CD1 3.74Å; W168-I172 PolarHBondContact O-N 3.36Å |
| 169 | L | 92.1 | Very high | 94 | Very high | 47 Ų | 47 | 58 Ų | 58 | 25% | 0.246 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65 | -35.9 | 178.8 | -176.3 | 64 | 0 | 0 | 0 | 111.2 | L166 H167 V171 I172 F173 | L166-L169 HydrophobicContact CB-CB 4.16Å; L166-L169 HydrophobicContact CB-CD2 4.43Å; L166-L169 HydrophobicContact CD1-CD2 4.17Å; L166-L169 WeakPolarHBondContact O-CB 3.04Å; L166-L169 PolarHBondContact O-N 3.13Å; H167-L169 VanDerWaalsContact C-N 3.27Å; H167-L169 PolarHBondContact O-N 3.36Å; L169-V171 VanDerWaalsContact C-N 3.35Å; L169-I172 PolarHBondContact O-N 3.04Å; L169-F173 HydrophobicContact CD1-CD2 4.34Å; L169-F173 HydrophobicContact CD1-CE2 3.89Å; L169-F173 HydrophobicContact CD1-CZ 4.35Å; L169-F173 HydrophobicContact CD2-CE2 4.01Å; L169-F173 HydrophobicContact CG-CD2 3.96Å; L169-F173 HydrophobicContact CG-CE2 3.61Å; L169-F173 VanDerWaalsContact O-CD2 3.24Å; L169-F173 WeakPolarHBondContact O-CD2 3.31Å; L169-F173 PolarHBondContact O-N 2.82Å |
| 170 | T | 89.3 | Confident | 94.1 | Very high | 27 Ų | 27 | 59.7 Ų | 59.7 | 17% | 0.166 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.8 | -35.8 | 174.5 | 72.2 | 0 | 0 | 0 | 0 | 112.2 | L37 H167 W168 F173 I174 | L37-T170 HydrophobicContact CB-CG2 4.23Å; L37-T170 HydrophobicContact CD1-CG2 4.49Å; L37-T170 HydrophobicContact CG-CG2 4.28Å; H167-T170 PolarHBondContact O-N 3.37Å; H167-T170 VanDerWaalsContact O-N 3.11Å; H167-T170 PolarHBondContact O-OG1 3.46Å; W168-T170 VanDerWaalsContact C-N 3.3Å; W168-T170 PolarHBondContact O-N 2.87Å; T170-F173 PolarHBondContact O-N 2.88Å; T170-I174 WeakPolarHBondContact O-CD1 3.42Å; T170-I174 VanDerWaalsContact O-CG1 3.27Å; T170-I174 WeakPolarHBondContact O-CG1 3.29Å; T170-I174 PolarHBondContact O-N 3.37Å |
| 171 | V | 92.2 | Very high | 94 | Very high | 76 Ų | 76 | 60.9 Ų | 60.9 | 46% | 0.461 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 174.6 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | H167 W168 L169 I174 I175 | H167-V171 PolarHBondContact O-N 3.41Å; W168-V171 WeakPolarHBondContact O-CB 3.46Å; W168-V171 PolarHBondContact O-N 2.84Å; W168-V171 VanDerWaalsContact O-N 3.15Å; L169-V171 VanDerWaalsContact C-N 3.35Å; V171-I174 PolarHBondContact O-N 3.44Å; V171-I175 HydrophobicContact CG1-CD1 3.87Å; V171-I175 WeakPolarHBondContact O-CG1 3.24Å; V171-I175 PolarHBondContact O-N 3.34Å |
| 172 | I | 94 | Very high | 93.9 | Very high | 85 Ų | 85 | 66.6 Ų | 66.6 | 44% | 0.436 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 174.1 | -66.9 | 178.6 | 0 | 0 | 0 | 111.1 | W168 L169 I174 I175 L176 | W168-I172 HydrophobicContact CE3-CD1 3.64Å; W168-I172 HydrophobicContact CZ3-CD1 3.74Å; W168-I172 PolarHBondContact O-N 3.36Å; L169-I172 PolarHBondContact O-N 3.04Å; I172-I174 VanDerWaalsContact C-N 3.34Å; I172-I174 PolarHBondContact O-N 3.28Å; I172-I175 PolarHBondContact O-N 3.32Å; I172-L176 VanDerWaalsContact O-CB 3.24Å; I172-L176 WeakPolarHBondContact O-CB 3.31Å; I172-L176 PolarHBondContact O-N 2.94Å |
| 173 | F | 93.1 | Very high | 93.6 | Very high | 128 Ų | 128 | 70 Ų | 70 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.6 | -36.2 | 176.4 | -78 | -54.5 | 0 | 0 | 0 | 113.1 | L169 T170 G177 | L169-F173 HydrophobicContact CD1-CD2 4.34Å; L169-F173 HydrophobicContact CD1-CE2 3.89Å; L169-F173 HydrophobicContact CD1-CZ 4.35Å; L169-F173 HydrophobicContact CD2-CE2 4.01Å; L169-F173 HydrophobicContact CG-CD2 3.96Å; L169-F173 HydrophobicContact CG-CE2 3.61Å; L169-F173 VanDerWaalsContact O-CD2 3.24Å; L169-F173 WeakPolarHBondContact O-CD2 3.31Å; L169-F173 PolarHBondContact O-N 2.82Å; T170-F173 PolarHBondContact O-N 2.88Å; F173-G177 PolarHBondContact O-N 3.17Å |
| 174 | I | 93.8 | Very high | 93.1 | Very high | 120 Ų | 120 | 75 Ų | 75 | 62% | 0.615 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66.5 | -45.4 | 174.7 | -69.3 | 162.7 | 0 | 0 | 0 | 110.8 | T170 V171 I172 G177 A178 | T170-I174 WeakPolarHBondContact O-CD1 3.42Å; T170-I174 VanDerWaalsContact O-CG1 3.27Å; T170-I174 WeakPolarHBondContact O-CG1 3.29Å; T170-I174 PolarHBondContact O-N 3.37Å; V171-I174 PolarHBondContact O-N 3.44Å; I172-I174 VanDerWaalsContact C-N 3.34Å; I172-I174 PolarHBondContact O-N 3.28Å; I174-G177 PolarHBondContact O-N 2.95Å; I174-A178 WeakPolarHBondContact O-CB 3.33Å; I174-A178 PolarHBondContact O-N 2.8Å |
| 175 | I | 96.3 | Very high | 92.6 | Very high | 109 Ų | 109 | 77.6 Ų | 77.6 | 56% | 0.559 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64.5 | -44.8 | 177.7 | -67.4 | 167.5 | 0 | 0 | 0 | 110.9 | V171 I172 A178 L179 | V171-I175 HydrophobicContact CG1-CD1 3.87Å; V171-I175 WeakPolarHBondContact O-CG1 3.24Å; V171-I175 PolarHBondContact O-N 3.34Å; I172-I175 PolarHBondContact O-N 3.32Å; I175-A178 PolarHBondContact O-N 3.25Å; I175-L179 VanDerWaalsContact O-CB 3.31Å; I175-L179 WeakPolarHBondContact O-CB 3.34Å; I175-L179 PolarHBondContact O-N 2.83Å |
| 176 | L | 96.4 | Very high | 91.9 | Very high | 100 Ų | 100 | 78.9 Ų | 78.9 | 52% | 0.524 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.4 | -41 | 177.2 | -178.2 | 63.2 | 0 | 0 | 0 | 111.6 | I172 L179 L180 | I172-L176 VanDerWaalsContact O-CB 3.24Å; I172-L176 WeakPolarHBondContact O-CB 3.31Å; I172-L176 PolarHBondContact O-N 2.94Å; L176-L179 PolarHBondContact O-N 3.09Å; L176-L180 VanDerWaalsContact O-CB 3.25Å; L176-L180 WeakPolarHBondContact O-CB 3.43Å; L176-L180 PolarHBondContact O-N 3.13Å |
| 177 | G | 96.4 | Very high | 91.2 | Very high | 37 Ų | 37 | 80.3 Ų | 80.3 | 38% | 0.381 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F173 I174 L180 L181 | F173-G177 PolarHBondContact O-N 3.17Å; I174-G177 PolarHBondContact O-N 2.95Å; G177-L180 PolarHBondContact O-N 3.44Å; G177-L181 VanDerWaalsContact O-CB 3.31Å; G177-L181 WeakPolarHBondContact O-CB 3.17Å; G177-L181 PolarHBondContact O-N 3.22Å |
| 178 | A | 95.9 | Very high | 90 | Very high | 48 Ų | 48 | 79.4 Ų | 79.4 | 40% | 0.397 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I174 I175 L181 L182 | I174-A178 WeakPolarHBondContact O-CB 3.33Å; I174-A178 PolarHBondContact O-N 2.8Å; I175-A178 PolarHBondContact O-N 3.25Å; A178-L181 PolarHBondContact O-N 2.7Å; A178-L182 WeakPolarHBondContact O-CB 3.18Å; A178-L182 VanDerWaalsContact O-CG 3.29Å; A178-L182 WeakPolarHBondContact O-CG 3.48Å; A178-L182 PolarHBondContact O-N 2.98Å |
| 179 | L | 96.1 | Very high | 88.9 | Confident | 102 Ų | 102 | 84.2 Ų | 84.2 | 53% | 0.534 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 174.9 | -175.3 | 151.5 | 0 | 0 | 0 | 111.5 | I175 L176 L182 L183 | I175-L179 VanDerWaalsContact O-CB 3.31Å; I175-L179 WeakPolarHBondContact O-CB 3.34Å; I175-L179 PolarHBondContact O-N 2.83Å; L176-L179 PolarHBondContact O-N 3.09Å; L179-L182 PolarHBondContact O-N 3.22Å; L179-L183 WeakPolarHBondContact O-CB 3.48Å; L179-L183 PolarHBondContact O-N 2.82Å |
| 180 | L | 94.4 | Very high | 87.3 | Confident | 95 Ų | 95 | 85.6 Ų | 85.6 | 50% | 0.497 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 174.3 | -175.7 | 68.4 | 0 | 0 | 0 | 111.3 | L176 G177 L183 L184 | L176-L180 VanDerWaalsContact O-CB 3.25Å; L176-L180 WeakPolarHBondContact O-CB 3.43Å; L176-L180 PolarHBondContact O-N 3.13Å; G177-L180 PolarHBondContact O-N 3.44Å; L180-L183 PolarHBondContact O-N 2.98Å; L180-L184 HydrophobicContact CG-CD1 4.17Å; L180-L184 WeakPolarHBondContact O-CB 3.22Å; L180-L184 VanDerWaalsContact O-CG 3.27Å; L180-L184 WeakPolarHBondContact O-CG 3.41Å; L180-L184 PolarHBondContact O-N 2.96Å |
| 181 | L | 93.4 | Very high | 85.7 | Confident | 103 Ų | 103 | 87.3 Ų | 87.3 | 54% | 0.539 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 174 | -171.4 | 82.4 | 0 | 0 | 0 | 111 | G177 A178 L183 L184 I185 | G177-L181 VanDerWaalsContact O-CB 3.31Å; G177-L181 WeakPolarHBondContact O-CB 3.17Å; G177-L181 PolarHBondContact O-N 3.22Å; A178-L181 PolarHBondContact O-N 2.7Å; L181-L183 VanDerWaalsContact C-N 3.32Å; L181-L183 PolarHBondContact O-N 3.24Å; L181-L184 PolarHBondContact O-N 2.82Å; L181-I185 HydrophobicContact CD2-CD1 4.14Å; L181-I185 HydrophobicContact CG-CD1 3.82Å; L181-I185 HydrophobicContact CG-CG1 4.5Å; L181-I185 WeakPolarHBondContact O-CB 3.32Å; L181-I185 WeakPolarHBondContact O-CG1 3.42Å; L181-I185 PolarHBondContact O-N 3.29Å |
| 182 | L | 91.8 | Very high | 83.7 | Confident | 121 Ų | 121 | 86.2 Ų | 86.2 | 63% | 0.634 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.7 | -35.9 | 176.7 | -73.5 | 169.9 | 0 | 0 | 0 | 112.3 | A178 L179 G186 | A178-L182 WeakPolarHBondContact O-CB 3.18Å; A178-L182 VanDerWaalsContact O-CG 3.29Å; A178-L182 WeakPolarHBondContact O-CG 3.48Å; A178-L182 PolarHBondContact O-N 2.98Å; L179-L182 PolarHBondContact O-N 3.22Å; L182-G186 PolarHBondContact O-N 3.48Å |
| 183 | L | 89.2 | Confident | 81.7 | Confident | 94 Ų | 94 | 85.3 Ų | 85.3 | 49% | 0.492 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.6 | -48.2 | 173.1 | -172.1 | 160.7 | 0 | 0 | 0 | 110.8 | L179 L180 L181 I185 G186 V187 | L179-L183 WeakPolarHBondContact O-CB 3.48Å; L179-L183 PolarHBondContact O-N 2.82Å; L180-L183 PolarHBondContact O-N 2.98Å; L181-L183 VanDerWaalsContact C-N 3.32Å; L181-L183 PolarHBondContact O-N 3.24Å; L183-I185 PolarHBondContact O-N 3.45Å; L183-G186 PolarHBondContact O-N 3.49Å; L183-V187 HydrophobicContact CD2-CG2 3.92Å; L183-V187 WeakPolarHBondContact O-CB 3.33Å; L183-V187 VanDerWaalsContact O-CG2 3.27Å; L183-V187 WeakPolarHBondContact O-CG2 3.24Å; L183-V187 PolarHBondContact O-N 2.85Å |
| 184 | L | 85.8 | Confident | 80 | Confident | 104 Ų | 104 | 83.6 Ų | 83.6 | 55% | 0.545 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 177.5 | -72.2 | 169 | 0 | 0 | 0 | 112 | L180 L181 C188 | L180-L184 HydrophobicContact CG-CD1 4.17Å; L180-L184 WeakPolarHBondContact O-CB 3.22Å; L180-L184 VanDerWaalsContact O-CG 3.27Å; L180-L184 WeakPolarHBondContact O-CG 3.41Å; L180-L184 PolarHBondContact O-N 2.96Å; L181-L184 PolarHBondContact O-N 2.82Å; L184-C188 VanDerWaalsContact O-CB 3.22Å; L184-C188 WeakPolarHBondContact O-CB 3.12Å; L184-C188 PolarHBondContact O-N 3.37Å |
| 185 | I | 84.7 | Confident | 77.8 | Confident | 55 Ų | 55 | 85.2 Ų | 85.2 | 28% | 0.282 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.3 | -48.7 | 174.1 | -72.4 | 170.5 | 0 | 0 | 0 | 110.3 | L181 L183 V187 C188 W189 | L181-I185 HydrophobicContact CD2-CD1 4.14Å; L181-I185 HydrophobicContact CG-CD1 3.82Å; L181-I185 HydrophobicContact CG-CG1 4.5Å; L181-I185 WeakPolarHBondContact O-CB 3.32Å; L181-I185 WeakPolarHBondContact O-CG1 3.42Å; L181-I185 PolarHBondContact O-N 3.29Å; L183-I185 PolarHBondContact O-N 3.45Å; I185-V187 PolarHBondContact O-N 2.86Å; I185-C188 WeakPolarHBondContact O-CB 3.11Å; I185-C188 PolarHBondContact O-N 3.34Å; I185-W189 HydrophobicContact CG2-CD2 3.6Å; I185-W189 HydrophobicContact CG2-CE3 3.84Å; I185-W189 HydrophobicContact CG2-CG 4.3Å; I185-W189 HydrophobicContact CG2-CH2 3.64Å; I185-W189 HydrophobicContact CG2-CZ2 3.37Å; I185-W189 HydrophobicContact CG2-CZ3 3.86Å; I185-W189 WeakPolarHBondContact O-CB 3.27Å; I185-W189 VanDerWaalsContact O-CG 3.26Å; I185-W189 PolarHBondContact O-N 2.86Å |
| 186 | G | 79.6 | Confident | 75.5 | Confident | 27 Ų | 27 | 90 Ų | 90 | 28% | 0.278 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L182 L183 W189 C190 | L182-G186 PolarHBondContact O-N 3.48Å; L183-G186 PolarHBondContact O-N 3.49Å; G186-W189 PolarHBondContact O-N 3.43Å; G186-C190 VanDerWaalsContact O-CB 3.32Å; G186-C190 WeakPolarHBondContact O-CB 3.25Å; G186-C190 PolarHBondContact O-N 3.18Å; G186-C190 PolarHBondContact O-SG 3.38Å |
| 187 | V | 79.1 | Confident | 73.3 | Confident | 62 Ų | 62 | 88.1 Ų | 88.1 | 38% | 0.376 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 173.6 | 169 | 0 | 0 | 0 | 0 | 110.8 | L183 I185 C190 Q191 | L183-V187 HydrophobicContact CD2-CG2 3.92Å; L183-V187 WeakPolarHBondContact O-CB 3.33Å; L183-V187 VanDerWaalsContact O-CG2 3.27Å; L183-V187 WeakPolarHBondContact O-CG2 3.24Å; L183-V187 PolarHBondContact O-N 2.85Å; I185-V187 PolarHBondContact O-N 2.86Å; V187-C190 PolarHBondContact O-N 2.05Å; V187-Q191 HydrophobicContact CG1-CG 4.33Å; V187-Q191 VanDerWaalsContact O-CB 3.23Å; V187-Q191 WeakPolarHBondContact O-CB 3.49Å; V187-Q191 WeakPolarHBondContact O-CG 3.41Å; V187-Q191 PolarHBondContact O-N 2.83Å |
| 188 | C | 66.3 | Low | 71 | Confident | 37 Ų | 37 | 90.9 Ų | 90.9 | 25% | 0.25 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 176.5 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | L184 I185 Q191 C192 | L184-C188 VanDerWaalsContact O-CB 3.22Å; L184-C188 WeakPolarHBondContact O-CB 3.12Å; L184-C188 PolarHBondContact O-N 3.37Å; I185-C188 WeakPolarHBondContact O-CB 3.11Å; I185-C188 PolarHBondContact O-N 3.34Å; C188-Q191 PolarHBondContact O-N 2.83Å; C188-C192 PolarHBondContact O-N 3.24Å |
| 189 | W | 68 | Low | 69 | Low | 192 Ų | 192 | 90.3 Ų | 90.3 | 73% | 0.727 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.7 | -44 | 177.2 | -69.8 | -9.9 | 0 | 0 | 0 | 111.9 | I185 G186 Q191 C193 | I185-W189 HydrophobicContact CG2-CD2 3.6Å; I185-W189 HydrophobicContact CG2-CE3 3.84Å; I185-W189 HydrophobicContact CG2-CG 4.3Å; I185-W189 HydrophobicContact CG2-CH2 3.64Å; I185-W189 HydrophobicContact CG2-CZ2 3.37Å; I185-W189 HydrophobicContact CG2-CZ3 3.86Å; I185-W189 WeakPolarHBondContact O-CB 3.27Å; I185-W189 VanDerWaalsContact O-CG 3.26Å; I185-W189 PolarHBondContact O-N 2.86Å; G186-W189 PolarHBondContact O-N 3.43Å; W189-Q191 VanDerWaalsContact C-N 3.31Å; W189-Q191 PolarHBondContact O-N 2.85Å; W189-C193 WeakPolarHBondContact O-CB 3.22Å; W189-C193 PolarHBondContact O-N 3.4Å |
| 190 | C | 56.5 | Low | 66.6 | Low | 76 Ų | 76 | 96.5 Ų | 96.5 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -33.4 | 174.2 | -72.6 | 0 | 0 | 0 | 0 | 112.7 | G186 V187 C197 | G186-C190 VanDerWaalsContact O-CB 3.32Å; G186-C190 WeakPolarHBondContact O-CB 3.25Å; G186-C190 PolarHBondContact O-N 3.18Å; G186-C190 PolarHBondContact O-SG 3.38Å; V187-C190 PolarHBondContact O-N 2.05Å; C190-C197 WeakPolarHBondContact O-CB 3.32Å |
| 191 | Q | 56 | Low | 64.4 | Low | 62 Ų | 62 | 98.2 Ų | 98.2 | 29% | 0.29 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -82.4 | -27.9 | -176.4 | -75.8 | 177.6 | -5.9 | 0 | 0 | 114.3 | V187 C188 W189 C199 C203 | V187-Q191 HydrophobicContact CG1-CG 4.33Å; V187-Q191 VanDerWaalsContact O-CB 3.23Å; V187-Q191 WeakPolarHBondContact O-CB 3.49Å; V187-Q191 WeakPolarHBondContact O-CG 3.41Å; V187-Q191 PolarHBondContact O-N 2.83Å; C188-Q191 PolarHBondContact O-N 2.83Å; W189-Q191 VanDerWaalsContact C-N 3.31Å; W189-Q191 PolarHBondContact O-N 2.85Å; Q191-C199 VanDerWaalsContact CB-SG 3.52Å; Q191-C199 PolarHBondContact O-SG 2.88Å; Q191-C203 PolarHBondContact OE1-SG 3.34Å |
| 192 | C | 50.6 | Low | 62.3 | Low | 54 Ų | 54 | 104.2 Ų | 104.2 | 37% | 0.365 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 25.8 | 178.8 | -50.5 | 0 | 0 | 0 | 0 | 113.2 | C188 C206 | C188-C192 PolarHBondContact O-N 3.24Å; C192-C206 HydrophobicContact CB-CB 4.47Å; C192-C206 WeakPolarHBondContact CB-SG 3.36Å; C192-C206 WeakPolarHBondContact SG-CB 3.27Å; C192-C206 CovalentContact SG-SG 2.05Å; C192-C206 PolarHBondContact SG-SG 2.91Å |
| 193 | C | 53.3 | Low | 60.4 | Low | 65 Ų | 65 | 99.8 Ų | 99.8 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | trans | -90.3 | 116 | 179.6 | -151 | 0 | 0 | 0 | 0 | 112 | W189 Q195 | W189-C193 WeakPolarHBondContact O-CB 3.22Å; W189-C193 PolarHBondContact O-N 3.4Å; C193-Q195 VanDerWaalsContact C-N 3.3Å; C193-Q195 PolarHBondContact O-N 3.07Å | ||
| 194 | P | 56.1 | Low | 58.8 | Low | 93 Ų | 93 | 101 Ų | 101 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 28.4 | -159 | 35.9 | -40 | 0 | 0 | 0 | 115.8 | ||
| 195 | Q | 47.7 | Very low | 57 | Low | 153 Ų | 153 | 99.7 Ų | 99.7 | 72% | 0.715 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.5 | -41.5 | -177.1 | -67.2 | -72.4 | -86.1 | 0 | 0 | 114.8 | C193 | C193-Q195 VanDerWaalsContact C-N 3.3Å; C193-Q195 PolarHBondContact O-N 3.07Å |
| 196 | Y | 47.2 | Very low | 55.4 | Low | 209 Ų | 209 | 98.8 Ų | 98.8 | 82% | 0.82 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140 | 5.6 | -166.6 | -73.1 | -69.6 | 0 | 0 | 0 | 117.7 | ||
| 197 | C | 51.2 | Low | 53.9 | Low | 61 Ų | 61 | 103.3 Ų | 103.3 | 41% | 0.412 | 54% | 0.541 | S | S | . | . | trans | -121.4 | 100.5 | -176 | -63.8 | 0 | 0 | 0 | 0 | 113.2 | C190 C199 | C190-C197 WeakPolarHBondContact O-CB 3.32Å; C197-C199 PolarHBondContact O-N 3.49Å | ||
| 198 | C | 49 | Very low | 52.4 | Low | 96 Ų | 96 | 104.8 Ų | 104.8 | 65% | 0.649 | 56% | 0.56 | S | S | * | * | trans | -73.2 | 110.7 | 177 | -66.7 | 0 | 0 | 0 | 0 | 112 | Y200 | C198-Y200 PolarHBondContact O-N 3.05Å; C198-Y200 VanDerWaalsContact O-N 3.07Å | ||
| 199 | C | 54 | Low | 51.5 | Low | 36 Ų | 36 | 113.1 Ų | 113.1 | 24% | 0.243 | 59% | 0.586 | C | S | . | * | trans | -73 | 96.4 | 171.8 | -77.9 | 0 | 0 | 0 | 0 | 112 | Q191 C197 I201 | Q191-C199 VanDerWaalsContact CB-SG 3.52Å; Q191-C199 PolarHBondContact O-SG 2.88Å; C197-C199 PolarHBondContact O-N 3.49Å; C199-I201 PolarHBondContact O-N 3.44Å | ||
| 200 | Y | 45.7 | Very low | 50.7 | Low | 231 Ų | 231 | 107.4 Ų | 107.4 | 91% | 0.906 | 58% | 0.575 | S | S | * | * | trans | -80.3 | 0.8 | 172.5 | -144.6 | -95 | 0 | 0 | 0 | 113.6 | C198 | C198-Y200 PolarHBondContact O-N 3.05Å; C198-Y200 VanDerWaalsContact O-N 3.07Å | ||
| 201 | I | 48.2 | Very low | 50.4 | Low | 132 Ų | 132 | 107.1 Ų | 107.1 | 68% | 0.677 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -132.4 | 139.4 | -179.5 | -57.8 | 176.6 | 0 | 0 | 0 | 108.1 | C199 C203 | C199-I201 PolarHBondContact O-N 3.44Å; I201-C203 PolarHBondContact O-N 3.43Å |
| 202 | R | 48.3 | Very low | 50 | Low | 228 Ų | 228 | 107.3 Ų | 107.3 | 86% | 0.86 | 58% | 0.58 | S | S | * | * | trans | -70.8 | 117.1 | 174.2 | -77.5 | -174.9 | 167.6 | 116 | -2.9 | 110.3 | ||||
| 203 | C | 52 | Low | 50.2 | Low | 29 Ų | 29 | 107.8 Ų | 107.8 | 20% | 0.196 | 58% | 0.583 | C | S | . | * | trans | -94.2 | 137.3 | 175.5 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | Q191 I201 C205 | Q191-C203 PolarHBondContact OE1-SG 3.34Å; I201-C203 PolarHBondContact O-N 3.43Å; C203-C205 PolarHBondContact O-N 3.44Å; C203-C205 PolarHBondContact SG-N 2.89Å; C203-C205 VanDerWaalsContact SG-N 3.4Å | ||
| 204 | P | 55.3 | Low | 50.2 | Low | 120 Ų | 120 | 111.9 Ų | 111.9 | 78% | 0.779 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -19 | 175.3 | 26.2 | -35.2 | 0 | 0 | 0 | 114 | ||
| 205 | C | 47.8 | Very low | 50.3 | Low | 75 Ų | 75 | 113.4 Ų | 113.4 | 51% | 0.507 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.5 | -19.8 | -173.7 | -57.7 | 0 | 0 | 0 | 0 | 115.1 | C203 | C203-C205 PolarHBondContact O-N 3.44Å; C203-C205 PolarHBondContact SG-N 2.89Å; C203-C205 VanDerWaalsContact SG-N 3.4Å |
| 206 | C | 50.5 | Low | 50.8 | Low | 36 Ų | 36 | 108.4 Ų | 108.4 | 24% | 0.243 | 58% | 0.579 | C | S | . | * | trans | -129.8 | 63.6 | -176.9 | -80.4 | 0 | 0 | 0 | 0 | 112.5 | C192 A208 | C192-C206 HydrophobicContact CB-CB 4.47Å; C192-C206 WeakPolarHBondContact CB-SG 3.36Å; C192-C206 WeakPolarHBondContact SG-CB 3.27Å; C192-C206 CovalentContact SG-SG 2.05Å; C192-C206 PolarHBondContact SG-SG 2.91Å; C206-A208 VanDerWaalsContact C-N 3.26Å; C206-A208 PolarHBondContact O-N 2.81Å | ||
| 207 | P | 48.7 | Very low | 51.3 | Low | 122 Ų | 122 | 103 Ų | 103 | 79% | 0.792 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -16.7 | -171.7 | 27.9 | -36.8 | 0 | 0 | 0 | 115.4 | ||
| 208 | A | 48.5 | Very low | 52 | Low | 94 Ų | 94 | 101.5 Ų | 101.5 | 78% | 0.777 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | -9.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115 | C206 | C206-A208 VanDerWaalsContact C-N 3.26Å; C206-A208 PolarHBondContact O-N 2.81Å |
| 209 | R | 46.8 | Very low | 52.7 | Low | 211 Ų | 211 | 104.4 Ų | 104.4 | 80% | 0.796 | 55% | 0.554 | S | S | * | * | trans | -147 | 70.5 | -175.6 | -69.8 | -170.1 | 178.9 | 169.4 | 0.6 | 112.2 | C211 | R209-C211 PolarHBondContact O-N 3.27Š| ||
| 210 | C | 50.6 | Low | 53.2 | Low | 73 Ų | 73 | 108.2 Ų | 108.2 | 49% | 0.493 | 57% | 0.568 | S | S | . | * | trans | -68.5 | 113.7 | 159.3 | -64.5 | 0 | 0 | 0 | 0 | 108.5 | C212 | C210-C212 PolarHBondContact O-N 3.32Š| ||
| 211 | C | 51.2 | Low | 54.5 | Low | 69 Ų | 69 | 105.3 Ų | 105.3 | 47% | 0.466 | 56% | 0.555 | S | S | . | * | trans | -73.5 | 64.2 | 169.6 | -71.6 | 0 | 0 | 0 | 0 | 111.1 | R209 P213 | R209-C211 PolarHBondContact O-N 3.27Å; C211-P213 WeakPolarHBondContact O-CD 3.19Å | ||
| 212 | C | 47.6 | Very low | 55.4 | Low | 66 Ų | 66 | 106.7 Ų | 106.7 | 45% | 0.446 | 55% | 0.553 | S | S | . | * | trans | -67.3 | 125.4 | 155.2 | -70.5 | 0 | 0 | 0 | 0 | 107.2 | C210 E214 | C210-C212 PolarHBondContact O-N 3.32Å; C212-E214 HydrophobicContact CB-CG 4.11Å; C212-E214 PolarHBondContact O-N 3.28Å | ||
| 213 | P | 54 | Low | 56.6 | Low | 65 Ų | 65 | 101.2 Ų | 101.2 | 42% | 0.422 | 54% | 0.539 | S | S | . | . | trans | -72.1 | 77.7 | 165.3 | 30.9 | -33.4 | 0 | 0 | 0 | 107.9 | C211 E215 A216 L217 | C211-P213 WeakPolarHBondContact O-CD 3.19Å; P213-E215 PolarHBondContact O-N 2.8Å; P213-A216 HydrophobicContact CB-CB 3.9Å; P213-A216 HydrophobicContact CG-CB 4.14Å; P213-A216 WeakPolarHBondContact O-CB 3.23Å; P213-A216 PolarHBondContact O-N 3.42Å; P213-L217 PolarHBondContact O-N 3.33Å | ||
| 214 | E | 54.4 | Low | 57.6 | Low | 151 Ų | 151 | 106.9 Ų | 106.9 | 71% | 0.706 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -56.6 | -35 | 179.8 | -66.2 | -155.6 | 133.8 | 0 | 0 | 110.7 | C212 A216 L217 A218 | C212-E214 HydrophobicContact CB-CG 4.11Å; C212-E214 PolarHBondContact O-N 3.28Å; E214-A216 VanDerWaalsContact C-N 3.3Å; E214-A216 PolarHBondContact O-N 3.3Å; E214-L217 PolarHBondContact O-N 3.13Å; E214-A218 WeakPolarHBondContact O-CB 3.43Å; E214-A218 PolarHBondContact O-N 3.01Å |
| 215 | E | 57.1 | Low | 58.2 | Low | 124 Ų | 124 | 106.6 Ų | 106.6 | 58% | 0.579 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.4 | -35 | 172 | -53.8 | -172.9 | 175.5 | 0 | 0 | 113.7 | P213 R219 | P213-E215 PolarHBondContact O-N 2.8Å; E215-R219 VanDerWaalsContact CB-NH1 3.26Å; E215-R219 WeakPolarHBondContact O-CB 3.12Å; E215-R219 WeakPolarHBondContact O-CD 3.06Å; E215-R219 WeakPolarHBondContact O-CG 3.12Å; E215-R219 PolarHBondContact O-N 2.87Å; E215-R219 IonicContact OE2-CZ 2.75Å; E215-R219 IonicContact OE2-NH1 2.71Å; E215-R219 PolarHBondContact OE2-NH1 2.82Å; E215-R219 IonicContact OE2-NH2 2.68Å; E215-R219 PolarHBondContact OE2-NH2 2.74Å |
| 216 | A | 57.8 | Low | 59 | Low | 48 Ų | 48 | 106 Ų | 106 | 40% | 0.397 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -75.2 | -41.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | P213 E214 R219 H220 | P213-A216 HydrophobicContact CB-CB 3.9Å; P213-A216 HydrophobicContact CG-CB 4.14Å; P213-A216 WeakPolarHBondContact O-CB 3.23Å; P213-A216 PolarHBondContact O-N 3.42Å; E214-A216 VanDerWaalsContact C-N 3.3Å; E214-A216 PolarHBondContact O-N 3.3Å; A216-R219 PolarHBondContact O-N 3.21Å; A216-H220 WeakPolarHBondContact O-CB 3.45Å; A216-H220 PolarHBondContact O-N 3.07Å |
| 217 | L | 58.9 | Low | 59.9 | Low | 95 Ų | 95 | 111.3 Ų | 111.3 | 50% | 0.497 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.6 | -34.6 | 172.9 | -71.8 | 173.6 | 0 | 0 | 0 | 111.9 | P213 E214 R221 | P213-L217 PolarHBondContact O-N 3.33Å; E214-L217 PolarHBondContact O-N 3.13Å; L217-R221 WeakPolarHBondContact O-CB 3.2Å; L217-R221 WeakPolarHBondContact O-CG 3.41Å; L217-R221 PolarHBondContact O-N 2.72Å |
| 218 | A | 65.1 | Low | 60.4 | Low | 30 Ų | 30 | 108.7 Ų | 108.7 | 25% | 0.248 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -66.2 | -51 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | E214 H220 R221 Y222 | E214-A218 WeakPolarHBondContact O-CB 3.43Å; E214-A218 PolarHBondContact O-N 3.01Å; A218-H220 VanDerWaalsContact C-N 3.27Å; A218-H220 PolarHBondContact O-N 2.75Å; A218-R221 PolarHBondContact O-N 3.35Å; A218-R221 VanDerWaalsContact O-N 3.09Å; A218-Y222 HydrophobicContact CB-CD2 4.2Å; A218-Y222 HydrophobicContact CB-CE2 4.03Å; A218-Y222 WeakPolarHBondContact O-CB 3.2Å; A218-Y222 WeakPolarHBondContact O-CD2 3.35Å; A218-Y222 PolarHBondContact O-N 3.29Å |
| 219 | R | 65.3 | Low | 61 | Low | 157 Ų | 157 | 109.8 Ų | 109.8 | 59% | 0.592 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -54.2 | -42.2 | 173.6 | -76.9 | 167.1 | -172.3 | 123.4 | 12.1 | 111.5 | E215 A216 M223 | E215-R219 VanDerWaalsContact CB-NH1 3.26Å; E215-R219 WeakPolarHBondContact O-CB 3.12Å; E215-R219 WeakPolarHBondContact O-CD 3.06Å; E215-R219 WeakPolarHBondContact O-CG 3.12Å; E215-R219 PolarHBondContact O-N 2.87Å; E215-R219 IonicContact OE2-CZ 2.75Å; E215-R219 IonicContact OE2-NH1 2.71Å; E215-R219 PolarHBondContact OE2-NH1 2.82Å; E215-R219 IonicContact OE2-NH2 2.68Å; E215-R219 PolarHBondContact OE2-NH2 2.74Å; A216-R219 PolarHBondContact O-N 3.21Å; R219-M223 WeakPolarHBondContact O-CB 3.43Å; R219-M223 PolarHBondContact O-N 3.09Å |
| 220 | H | 64.4 | Low | 61.5 | Low | 117 Ų | 117 | 101.8 Ų | 101.8 | 54% | 0.542 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.3 | -33.2 | 177.5 | -159 | -38.3 | 0 | 0 | 0 | 113.3 | A216 A218 K224 | A216-H220 WeakPolarHBondContact O-CB 3.45Å; A216-H220 PolarHBondContact O-N 3.07Å; A218-H220 VanDerWaalsContact C-N 3.27Å; A218-H220 PolarHBondContact O-N 2.75Å; H220-K224 VanDerWaalsContact O-CB 3.27Å; H220-K224 WeakPolarHBondContact O-CB 3.1Å; H220-K224 PolarHBondContact O-N 3.37Å |
| 221 | R | 72.5 | Confident | 61.7 | Low | 169 Ų | 169 | 103 Ų | 103 | 64% | 0.638 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.8 | -49.4 | 171.7 | -75.1 | 168.4 | -173.5 | 167.4 | 3.4 | 111.2 | L217 A218 M223 K224 Q225 | L217-R221 WeakPolarHBondContact O-CB 3.2Å; L217-R221 WeakPolarHBondContact O-CG 3.41Å; L217-R221 PolarHBondContact O-N 2.72Å; A218-R221 PolarHBondContact O-N 3.35Å; A218-R221 VanDerWaalsContact O-N 3.09Å; R221-M223 PolarHBondContact O-N 3.21Å; R221-K224 PolarHBondContact O-N 2.79Å; R221-Q225 WeakPolarHBondContact O-CB 3.43Å; R221-Q225 WeakPolarHBondContact O-CG 3.41Å; R221-Q225 PolarHBondContact O-N 3.48Å |
| 222 | Y | 67.5 | Low | 61.9 | Low | 161 Ų | 161 | 107.5 Ų | 107.5 | 63% | 0.631 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.4 | -41.8 | 175.1 | -71.3 | -52.5 | 0 | 0 | 0 | 111.8 | A218 Q225 A226 | A218-Y222 HydrophobicContact CB-CD2 4.2Å; A218-Y222 HydrophobicContact CB-CE2 4.03Å; A218-Y222 WeakPolarHBondContact O-CB 3.2Å; A218-Y222 WeakPolarHBondContact O-CD2 3.35Å; A218-Y222 PolarHBondContact O-N 3.29Å; Y222-Q225 PolarHBondContact O-N 2.9Å; Y222-A226 WeakPolarHBondContact O-CB 3.39Å; Y222-A226 PolarHBondContact O-N 3.2Å |
| 223 | M | 71.6 | Confident | 62 | Low | 114 Ų | 114 | 112.8 Ų | 112.8 | 56% | 0.562 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.1 | -40.9 | 175.2 | -169.4 | 175.4 | 78.5 | 0 | 0 | 111.4 | R219 R221 A226 Q227 | R219-M223 WeakPolarHBondContact O-CB 3.43Å; R219-M223 PolarHBondContact O-N 3.09Å; R221-M223 PolarHBondContact O-N 3.21Å; M223-A226 PolarHBondContact O-N 3.47Å; M223-Q227 WeakPolarHBondContact O-CB 3.38Å; M223-Q227 PolarHBondContact O-N 2.79Å |
| 224 | K | 73.6 | Confident | 61.8 | Low | 148 Ų | 148 | 118.1 Ų | 118.1 | 64% | 0.643 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.3 | -32.8 | 175.6 | -170.5 | 171.7 | -177.7 | 176.5 | 0 | 112.8 | H220 R221 A228 | H220-K224 VanDerWaalsContact O-CB 3.27Å; H220-K224 WeakPolarHBondContact O-CB 3.1Å; H220-K224 PolarHBondContact O-N 3.37Å; R221-K224 PolarHBondContact O-N 2.79Å; K224-A228 WeakPolarHBondContact O-CB 3.31Å; K224-A228 PolarHBondContact O-N 2.98Å |
| 225 | Q | 69.1 | Low | 61.3 | Low | 113 Ų | 113 | 118.1 Ų | 118.1 | 53% | 0.528 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -73.6 | -44.6 | 173.5 | -74.1 | 170.3 | -41.3 | 0 | 0 | 111.5 | R221 Y222 Q227 A228 L229 | R221-Q225 WeakPolarHBondContact O-CB 3.43Å; R221-Q225 WeakPolarHBondContact O-CG 3.41Å; R221-Q225 PolarHBondContact O-N 3.48Å; Y222-Q225 PolarHBondContact O-N 2.9Å; Q225-Q227 VanDerWaalsContact C-N 3.31Å; Q225-Q227 PolarHBondContact O-N 2.9Å; Q225-A228 CarbonylContact O-C 3.59Å; Q225-A228 WeakPolarHBondContact O-CA 3.16Å; Q225-A228 WeakPolarHBondContact O-CB 3.27Å; Q225-A228 PolarHBondContact O-N 2.76Å; Q225-L229 WeakPolarHBondContact O-CD1 3.46Å; Q225-L229 PolarHBondContact O-N 2.82Å |
| 226 | A | 64.9 | Low | 60.3 | Low | 63 Ų | 63 | 119.8 Ų | 119.8 | 52% | 0.521 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.8 | -35.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y222 M223 A228 L229 G230 | Y222-A226 WeakPolarHBondContact O-CB 3.39Å; Y222-A226 PolarHBondContact O-N 3.2Å; M223-A226 PolarHBondContact O-N 3.47Å; A226-A228 VanDerWaalsContact C-N 3.27Å; A226-A228 PolarHBondContact O-N 3.49Å; A226-L229 PolarHBondContact O-N 3.15Å; A226-G230 WeakPolarHBondContact O-CA 3.44Å; A226-G230 PolarHBondContact O-N 3.45Å |
| 227 | Q | 67.4 | Low | 59.8 | Low | 147 Ų | 147 | 124 Ų | 124 | 69% | 0.687 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71 | -21.5 | 172.3 | -167.9 | 173.3 | 18.7 | 0 | 0 | 112.7 | M223 Q225 | M223-Q227 WeakPolarHBondContact O-CB 3.38Å; M223-Q227 PolarHBondContact O-N 2.79Å; Q225-Q227 VanDerWaalsContact C-N 3.31Å; Q225-Q227 PolarHBondContact O-N 2.9Å |
| 228 | A | 60.9 | Low | 58.9 | Low | 68 Ų | 68 | 127.5 Ų | 127.5 | 56% | 0.562 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -86.6 | -31.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K224 Q225 A226 | K224-A228 WeakPolarHBondContact O-CB 3.31Å; K224-A228 PolarHBondContact O-N 2.98Å; Q225-A228 CarbonylContact O-C 3.59Å; Q225-A228 WeakPolarHBondContact O-CA 3.16Å; Q225-A228 WeakPolarHBondContact O-CB 3.27Å; Q225-A228 PolarHBondContact O-N 2.76Å; A226-A228 VanDerWaalsContact C-N 3.27Å; A226-A228 PolarHBondContact O-N 3.49Å |
| 229 | L | 59.4 | Low | 57.4 | Low | 116 Ų | 116 | 136.4 Ų | 136.4 | 61% | 0.607 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -82.7 | -29.3 | 172.1 | -85.5 | 83 | 0 | 0 | 0 | 112.9 | Q225 A226 P231 Q232 | Q225-L229 WeakPolarHBondContact O-CD1 3.46Å; Q225-L229 PolarHBondContact O-N 2.82Å; A226-L229 PolarHBondContact O-N 3.15Å; L229-P231 VanDerWaalsContact C-N 3.34Å; L229-Q232 PolarHBondContact O-N 3.11Å |
| 230 | G | 58.8 | Low | 56 | Low | 43 Ų | 43 | 140.6 Ų | 140.6 | 44% | 0.443 | 69% | 0.688 | S | S | . | * | G | 310 helix | trans | -51.4 | -35.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | A226 Q232 | A226-G230 WeakPolarHBondContact O-CA 3.44Å; A226-G230 PolarHBondContact O-N 3.45Å; G230-Q232 PolarHBondContact O-N 3.48Å |
| 231 | P | 54 | Low | 54.6 | Low | 98 Ų | 98 | 137.4 Ų | 137.4 | 64% | 0.636 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -66.7 | -16.8 | 175.9 | -22.3 | 34.4 | 0 | 0 | 0 | 114.8 | L229 | L229-P231 VanDerWaalsContact C-N 3.34Š|
| 232 | Q | 54.9 | Low | 52.8 | Low | 165 Ų | 165 | 134.1 Ų | 134.1 | 77% | 0.771 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -104.8 | 2.7 | -166.8 | -61.4 | -68.4 | -7.7 | 0 | 0 | 114.5 | L229 G230 | L229-Q232 PolarHBondContact O-N 3.11Å; G230-Q232 PolarHBondContact O-N 3.48Å |
| 233 | M | 50.2 | Low | 51.1 | Low | 177 Ų | 177 | 133.5 Ų | 133.5 | 87% | 0.872 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -128.3 | 3.8 | 179.7 | -82 | -173.3 | 161.3 | 0 | 0 | 114.7 | ||
| 234 | M | 49.6 | Very low | 49.4 | Very low | 177 Ų | 177 | 138.1 Ų | 138.1 | 87% | 0.872 | 72% | 0.715 | S | S | * | * | trans | -108.8 | 56.8 | 177.8 | -166.2 | 66.5 | 77.4 | 0 | 0 | 111.5 | ||||
| 235 | E | 44.2 | Very low | 47.4 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | trans | -122.5 | 128.6 | 169.9 | -149.2 | -155.8 | 132.4 | 0 | 0 | 110.1 | ||||
| 236 | K | 36.3 | Very low | 45.8 | Very low | 160 Ų | 160 | 137 Ų | 137 | 70% | 0.696 | 74% | 0.738 | S | S | * | * | trans | 70.9 | 89.6 | 177.8 | -56 | 165.3 | 176.6 | 98.3 | 0 | 116.5 | ||||
| 237 | P | 47.5 | Very low | 44.5 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 126.9 | 155.4 | 31.2 | -31.2 | 0 | 0 | 0 | 110 | ||
| 238 | L | 40.9 | Very low | 42.9 | Very low | 170 Ų | 170 | 142.4 Ų | 142.4 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 138.2 | 168.6 | -87.1 | 169.4 | 0 | 0 | 0 | 111.1 | ||
| 239 | Y | 32.8 | Very low | 41.5 | Very low | 216 Ų | 216 | 144.7 Ų | 144.7 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 128.5 | -173.2 | -169.7 | -92.3 | 0 | 0 | 0 | 114.6 | ||
| 240 | W | 35.2 | Very low | 40.2 | Very low | 245 Ų | 245 | 143.8 Ų | 143.8 | 93% | 0.928 | 78% | 0.777 | S | S | * | * | trans | -138.2 | 150.2 | 152.2 | -158 | -97.5 | 0 | 0 | 0 | 111.1 | ||||
| 241 | G | 35.3 | Very low | 38.9 | Very low | 50 Ų | 50 | 152.1 Ų | 152.1 | 52% | 0.515 | 80% | 0.797 | S | S | . | * | trans | -75.4 | 158.6 | -169 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 242 | A | 35.6 | Very low | 38 | Very low | 101 Ų | 101 | 153.4 Ų | 153.4 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -78.2 | 155.7 | 171 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 243 | D | 30.8 | Very low | 37.1 | Very low | 148 Ų | 148 | 154 Ų | 154 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -154.1 | 138.4 | 143.4 | -124.7 | -22 | 0 | 0 | 0 | 113.8 | ||||
| 244 | R | 35.4 | Very low | 36.3 | Very low | 210 Ų | 210 | 153.8 Ų | 153.8 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | trans | 47.4 | 95 | 158.2 | -44 | -170.7 | 82.7 | 119.9 | -3.7 | 121.2 | ||||
| 245 | S | 32 | Very low | 35.7 | Very low | 112 Ų | 112 | 150 Ų | 150 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | 55.6 | 114.7 | 122.6 | 65.7 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 246 | S | 35.1 | Very low | 35.1 | Very low | 125 Ų | 125 | 150.2 Ų | 150.2 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | -155.3 | 156.9 | 118.6 | 68.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 247 | Q | 38.1 | Very low | 35 | Very low | 188 Ų | 188 | 150.7 Ų | 150.7 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -65.1 | 138.6 | -164.5 | -57.2 | 157.1 | 10.9 | 0 | 0 | 115.1 | ||||
| 248 | V | 33.2 | Very low | 34.2 | Very low | 137 Ų | 137 | 152.3 Ų | 152.3 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | 177.3 | 142.4 | 116.9 | 150.3 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 249 | S | 31.8 | Very low | 33.8 | Very low | 116 Ų | 116 | 154.4 Ų | 154.4 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -117.3 | 112.2 | -177.4 | -177.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 250 | S | 32.5 | Very low | 33.7 | Very low | 96 Ų | 96 | 150.6 Ų | 150.6 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | trans | -163.2 | 96.7 | 161.6 | 54.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 251 | Y | 31.3 | Very low | 33.4 | Very low | 219 Ų | 219 | 147.3 Ų | 147.3 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | trans | 13.4 | 104.8 | 159.5 | -59.2 | -85.6 | 0 | 0 | 0 | 120.1 | ||||
| 252 | P | 36.3 | Very low | 33.1 | Very low | 124 Ų | 124 | 149.8 Ų | 149.8 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 126.1 | 147.1 | 32.2 | -29.5 | 0 | 0 | 0 | 110.1 | H254 | P252-H254 PolarHBondContact O-N 2.75Š|
| 253 | M | 35.6 | Very low | 32.9 | Very low | 178 Ų | 178 | 153.6 Ų | 153.6 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 121.9 | 171.6 | -82.4 | -70.6 | -77.3 | 0 | 0 | 110.4 | ||
| 254 | H | 32.2 | Very low | 32.7 | Very low | 173 Ų | 173 | 157.6 Ų | 157.6 | 80% | 0.801 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 129.4 | -175.5 | -156.8 | -74.6 | 0 | 0 | 0 | 111.3 | P252 | P252-H254 PolarHBondContact O-N 2.75Š|
| 255 | P | 37.5 | Very low | 32.3 | Very low | 96 Ų | 96 | 153.1 Ų | 153.1 | 62% | 0.623 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 150.7 | 171.3 | 32.3 | -34.2 | 0 | 0 | 0 | 111 | ||
| 256 | L | 32.6 | Very low | 32.3 | Very low | 155 Ų | 155 | 153 Ų | 153 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | 61.2 | 100.1 | 169.2 | -50.5 | -179.9 | 0 | 0 | 0 | 117.1 | ||||
| 257 | L | 34.1 | Very low | 32.2 | Very low | 171 Ų | 171 | 155.2 Ų | 155.2 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | -73.8 | 113.9 | 125.7 | -79 | 168.8 | 0 | 0 | 0 | 105.9 | |||||
| 258 | Q | 29.9 | Very low | 32.2 | Very low | 168 Ų | 168 | 151.1 Ų | 151.1 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | 69.1 | 109.1 | 82.3 | -157.2 | 74 | -1 | 0 | 0 | 111 | |||||
| 259 | R | 33.4 | Very low | 32 | Very low | 214 Ų | 214 | 153.1 Ų | 153.1 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | -84.8 | 155.9 | -176.5 | -115.5 | -176.4 | -178.1 | 91.2 | -1.3 | 111.9 | ||||
| 260 | D | 30.5 | Very low | 31.9 | Very low | 136 Ų | 136 | 155.8 Ų | 155.8 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | 53.1 | 119 | 150.1 | -47.8 | -27.8 | 0 | 0 | 0 | 119.6 | ||||
| 261 | L | 29.1 | Very low | 32.2 | Very low | 177 Ų | 177 | 156.3 Ų | 156.3 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | trans | -157.5 | 153 | 130.3 | -109.9 | 168.4 | 0 | 0 | 0 | 111.1 | ||||
| 262 | S | 27.5 | Very low | 32.2 | Very low | 101 Ų | 101 | 153.6 Ų | 153.6 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -97.6 | 152.5 | -163.3 | 58.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 263 | L | 31.6 | Very low | 31.7 | Very low | 181 Ų | 181 | 152.7 Ų | 152.7 | 95% | 0.948 | 80% | 0.798 | S | S | * | * | trans | -146.8 | 170.3 | 147.5 | -124.5 | 131.6 | 0 | 0 | 0 | 112.9 | ||||
| 264 | R | 27.7 | Very low | 31.4 | Very low | 233 Ų | 233 | 152.1 Ų | 152.1 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -142.1 | 106.7 | -140.3 | 171.6 | -167.3 | -180 | 172.3 | 0.4 | 113.1 | ||||
| 265 | S | 27.4 | Very low | 31.1 | Very low | 116 Ų | 116 | 149.3 Ų | 149.3 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -178.3 | 153.8 | 163 | 46.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 266 | S | 30.4 | Very low | 30.6 | Very low | 109 Ų | 109 | 150.4 Ų | 150.4 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | cis | -167 | 132.4 | -24.4 | 46.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 267 | L | 34.4 | Very low | 30.4 | Very low | 171 Ų | 171 | 149.3 Ų | 149.3 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | trans | -81 | 154.7 | 166.8 | -91.2 | 161.1 | 0 | 0 | 0 | 110.8 | ||||
| 268 | P | 37.8 | Very low | 30.3 | Very low | 103 Ų | 103 | 149 Ų | 149 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | -145.7 | 166.6 | 121.8 | 39.1 | -25.3 | 0 | 0 | 0 | 116.4 | |||||
| 269 | Q | 28.2 | Very low | 30.7 | Very low | 178 Ų | 178 | 147 Ų | 147 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 72.9 | 146.9 | 162.2 | -109.1 | 67.6 | 15.7 | 0 | 0 | 121.8 | ||||
| 270 | M | 30.3 | Very low | 31.2 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | trans | -133.3 | -176.8 | 177 | -69.1 | -98.8 | -78.5 | 0 | 0 | 105.8 | ||||
| 271 | P | 39.3 | Very low | 31.9 | Very low | 108 Ų | 108 | 143 Ų | 143 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | cis | -145.9 | -168 | 11.1 | 44 | -23.2 | 0 | 0 | 0 | 117.3 | ||||
| 272 | M | 29.8 | Very low | 32.9 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | trans | 98.3 | 139.1 | 144.2 | -82.3 | -61.2 | -172.7 | 0 | 0 | 123.8 | ||||
| 273 | T | 27.1 | Very low | 34.2 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | trans | 71.6 | 109.8 | 150.9 | 46.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 274 | Q | 27.8 | Very low | 35.8 | Very low | 165 Ų | 165 | 135 Ų | 135 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | 91.3 | 117.9 | 122.7 | -71.2 | -176.5 | 86.4 | 0 | 0 | 123.1 | |||||
| 275 | T | 25.9 | Very low | 37.5 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | trans | 76.5 | 127.1 | 133.6 | 55.2 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 276 | T | 27.9 | Very low | 39.1 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | trans | 77.5 | 136.3 | 146.6 | 30.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 277 | N | 28.6 | Very low | 40.5 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | trans | 77.4 | 110.8 | 149.6 | -61.1 | -5 | 0 | 0 | 0 | 120.8 | ||||
| 278 | H | 31.8 | Very low | 42 | Very low | 165 Ų | 165 | 129.9 Ų | 129.9 | 76% | 0.764 | 71% | 0.712 | S | S | * | * | trans | 44.8 | 119.8 | 147.9 | -51.5 | -67.5 | 0 | 0 | 0 | 121 | ||||
| 279 | P | 37.3 | Very low | 43.2 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 81% | 0.812 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 129.9 | 167.1 | 31.4 | -32.5 | 0 | 0 | 0 | 111.6 | ||
| 280 | P | 44.3 | Very low | 45.2 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 79% | 0.792 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -81 | 157.2 | 176.6 | 32.7 | -34.9 | 0 | 0 | 0 | 112.9 | ||
| 281 | I | 45.5 | Very low | 47 | Very low | 145 Ų | 145 | 124.8 Ų | 124.8 | 74% | 0.744 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 154.2 | 179.5 | -65.9 | 173.2 | 0 | 0 | 0 | 110.4 | N283 | I281-N283 PolarHBondContact O-N 2.87Å; I281-N283 PolarHBondContact O-OD1 3.02Å |
| 282 | T | 50 | Low | 47.7 | Very low | 119 Ų | 119 | 124 Ų | 124 | 73% | 0.73 | 66% | 0.664 | S | S | * | * | trans | -42 | 105.7 | -174.2 | 53.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 283 | N | 55.8 | Low | 48.7 | Very low | 121 Ų | 121 | 122.7 Ų | 122.7 | 65% | 0.647 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -24.4 | 177.8 | -73.2 | -19.1 | 0 | 0 | 0 | 115.2 | I281 V285 L286 E287 | I281-N283 PolarHBondContact O-N 2.87Å; I281-N283 PolarHBondContact O-OD1 3.02Å; N283-V285 VanDerWaalsContact C-N 3.26Å; N283-V285 PolarHBondContact O-N 2.82Å; N283-V285 VanDerWaalsContact O-N 3.08Å; N283-L286 WeakPolarHBondContact O-CB 3.19Å; N283-L286 PolarHBondContact O-N 3.07Å; N283-E287 PolarHBondContact O-N 3.43Å |
| 284 | G | 64 | Low | 50 | Low | 52 Ų | 52 | 126.9 Ų | 126.9 | 54% | 0.536 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -63.5 | -19.9 | -167 | 0 | 0 | 0 | 0 | 0 | 116.6 | Y288 | G284-Y288 PolarHBondContact O-N 3.33Å |
| 285 | V | 63.9 | Low | 50.9 | Low | 98 Ų | 98 | 125.2 Ų | 125.2 | 59% | 0.594 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -78.6 | -33.4 | 174.5 | -178 | 0 | 0 | 0 | 0 | 111.2 | N283 L289 | N283-V285 VanDerWaalsContact C-N 3.26Å; N283-V285 PolarHBondContact O-N 2.82Å; N283-V285 VanDerWaalsContact O-N 3.08Å; V285-L289 HydrophobicContact CG1-CD1 4.2Å; V285-L289 WeakPolarHBondContact O-CG 3.44Å; V285-L289 PolarHBondContact O-N 3.47Å; V285-L289 VanDerWaalsContact O-N 3.11Å |
| 286 | L | 60.5 | Low | 51.9 | Low | 132 Ų | 132 | 126 Ų | 126 | 69% | 0.691 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -70.3 | -41.2 | -180 | -153.7 | 78.3 | 0 | 0 | 0 | 111 | N283 Y288 L289 E290 | N283-L286 WeakPolarHBondContact O-CB 3.19Å; N283-L286 PolarHBondContact O-N 3.07Å; L286-Y288 VanDerWaalsContact C-N 3.32Å; L286-Y288 PolarHBondContact O-N 2.95Å; L286-L289 PolarHBondContact O-N 3.25Å; L286-E290 PolarHBondContact O-N 3.41Å |
| 287 | E | 60.5 | Low | 52.4 | Low | 145 Ų | 145 | 128.1 Ų | 128.1 | 68% | 0.678 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.2 | -33 | 178.6 | -161 | 169.5 | -144.8 | 0 | 0 | 112.2 | N283 K291 | N283-E287 PolarHBondContact O-N 3.43Å; E287-K291 WeakPolarHBondContact O-CB 3.15Å; E287-K291 PolarHBondContact O-N 2.9Å |
| 288 | Y | 64.8 | Low | 53 | Low | 145 Ų | 145 | 129.7 Ų | 129.7 | 57% | 0.569 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -68.9 | -44 | 170 | -175.2 | -114.7 | 0 | 0 | 0 | 111.9 | G284 L286 K291 E292 | G284-Y288 PolarHBondContact O-N 3.33Å; L286-Y288 VanDerWaalsContact C-N 3.32Å; L286-Y288 PolarHBondContact O-N 2.95Å; Y288-K291 WeakPolarHBondContact O-CB 3.39Å; Y288-K291 PolarHBondContact O-N 3.19Å; Y288-E292 PolarHBondContact O-N 2.76Å; Y288-E292 VanDerWaalsContact O-N 3.07Å |
| 289 | L | 64.1 | Low | 53 | Low | 92 Ų | 92 | 126.8 Ų | 126.8 | 48% | 0.482 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -66.4 | -36.4 | 178.1 | -73.4 | 168.3 | 0 | 0 | 0 | 113.4 | V285 L286 K291 E292 L293 | V285-L289 HydrophobicContact CG1-CD1 4.2Å; V285-L289 WeakPolarHBondContact O-CG 3.44Å; V285-L289 PolarHBondContact O-N 3.47Å; V285-L289 VanDerWaalsContact O-N 3.11Å; L286-L289 PolarHBondContact O-N 3.25Å; L289-K291 VanDerWaalsContact C-N 3.32Å; L289-E292 PolarHBondContact O-N 3.46Å; L289-L293 WeakPolarHBondContact O-CB 3.32Å; L289-L293 WeakPolarHBondContact O-CG 3.22Å; L289-L293 PolarHBondContact O-N 3.09Å |
| 290 | E | 70.5 | Confident | 52.7 | Low | 100 Ų | 100 | 130 Ų | 130 | 47% | 0.467 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -63.3 | -39.9 | 173.1 | -173.3 | -175.4 | 146.2 | 0 | 0 | 111.4 | L286 L293 R294 | L286-E290 PolarHBondContact O-N 3.41Å; E290-L293 PolarHBondContact O-N 3.19Å; E290-R294 PolarHBondContact O-N 2.99Å; E290-R294 VanDerWaalsContact O-N 3.09Å; E290-R294 IonicContact OE1-CZ 3.08Å; E290-R294 IonicContact OE1-NH1 3.8Å; E290-R294 PolarHBondContact OE1-NH1 3.11Å; E290-R294 IonicContact OE1-NH2 2.73Å; E290-R294 PolarHBondContact OE1-NH2 2.96Å |
| 291 | K | 67 | Low | 52.1 | Low | 154 Ų | 154 | 130.3 Ų | 130.3 | 67% | 0.67 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -65.1 | -40.7 | 179.1 | -166.9 | 175 | -175.8 | 177.1 | 0 | 112.1 | E287 Y288 L289 | E287-K291 WeakPolarHBondContact O-CB 3.15Å; E287-K291 PolarHBondContact O-N 2.9Å; Y288-K291 WeakPolarHBondContact O-CB 3.39Å; Y288-K291 PolarHBondContact O-N 3.19Å; L289-K291 VanDerWaalsContact C-N 3.32Å |
| 292 | E | 54.7 | Low | 51.2 | Low | 91 Ų | 91 | 131 Ų | 131 | 43% | 0.425 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -72.1 | -38.7 | 176.2 | -128.4 | 64.1 | -163.2 | 0 | 0 | 111.9 | Y288 L289 R294 N295 | Y288-E292 PolarHBondContact O-N 2.76Å; Y288-E292 VanDerWaalsContact O-N 3.07Å; L289-E292 PolarHBondContact O-N 3.46Å; E292-R294 PolarHBondContact O-N 3.46Å; E292-N295 VanDerWaalsContact O-CB 3.31Å; E292-N295 WeakPolarHBondContact O-CB 3.44Å; E292-N295 PolarHBondContact O-N 3.08Å; E292-N295 VanDerWaalsContact O-N 3.11Å |
| 293 | L | 50.5 | Low | 50.7 | Low | 135 Ų | 135 | 130.4 Ų | 130.4 | 71% | 0.707 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -66.5 | -31.8 | 178.6 | -84.2 | 166.8 | 0 | 0 | 0 | 113.8 | L289 E290 N295 L296 | L289-L293 WeakPolarHBondContact O-CB 3.32Å; L289-L293 WeakPolarHBondContact O-CG 3.22Å; L289-L293 PolarHBondContact O-N 3.09Å; E290-L293 PolarHBondContact O-N 3.19Å; L293-N295 PolarHBondContact O-N 3.49Å; L293-N295 VanDerWaalsContact O-N 3.15Å; L293-L296 PolarHBondContact O-N 3.46Å |
| 294 | R | 54.1 | Low | 49.9 | Very low | 193 Ų | 193 | 130.2 Ų | 130.2 | 73% | 0.728 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -15.3 | 172.3 | -83 | -162.5 | 177.9 | 96.4 | 14.2 | 113.8 | E290 E292 | E290-R294 PolarHBondContact O-N 2.99Å; E290-R294 VanDerWaalsContact O-N 3.09Å; E290-R294 IonicContact OE1-CZ 3.08Å; E290-R294 IonicContact OE1-NH1 3.8Å; E290-R294 PolarHBondContact OE1-NH1 3.11Å; E290-R294 IonicContact OE1-NH2 2.73Å; E290-R294 PolarHBondContact OE1-NH2 2.96Å; E292-R294 PolarHBondContact O-N 3.46Å |
| 295 | N | 47.8 | Very low | 48 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 70% | 0.695 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -5.9 | -172.8 | -139.4 | 9.3 | 0 | 0 | 0 | 113.6 | E292 L293 | E292-N295 VanDerWaalsContact O-CB 3.31Å; E292-N295 WeakPolarHBondContact O-CB 3.44Å; E292-N295 PolarHBondContact O-N 3.08Å; E292-N295 VanDerWaalsContact O-N 3.11Å; L293-N295 PolarHBondContact O-N 3.49Å; L293-N295 VanDerWaalsContact O-N 3.15Å |
| 296 | L | 46.9 | Very low | 46.3 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 68% | 0.681 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -144.3 | 79.4 | -168.6 | -68.7 | 174.6 | 0 | 0 | 0 | 114.6 | L293 | L293-L296 PolarHBondContact O-N 3.46Š|
| 297 | N | 38.9 | Very low | 44.7 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 88% | 0.882 | 72% | 0.717 | S | S | * | * | trans | -172.8 | 165.6 | 133.2 | -109.4 | -74.3 | 0 | 0 | 0 | 114.1 | ||||
| 298 | L | 41.2 | Very low | 43.1 | Very low | 165 Ų | 165 | 136.3 Ų | 136.3 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | trans | -105.8 | 144.9 | -165.9 | -80.3 | 62.7 | 0 | 0 | 0 | 114.5 | ||||
| 299 | A | 30.2 | Very low | 41.3 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | trans | -160.4 | 143.1 | 142.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 300 | Q | 31.9 | Very low | 39.6 | Very low | 191 Ų | 191 | 143.8 Ų | 143.8 | 89% | 0.893 | 75% | 0.75 | S | S | * | * | trans | -44.1 | 171.3 | 179.1 | -85.8 | 161.7 | -34.4 | 0 | 0 | 119.2 | ||||
| 301 | P | 30.9 | Very low | 37.5 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 84% | 0.844 | 76% | 0.762 | S | S | * | * | cis | -137.7 | -155.7 | 30.2 | 42.1 | -20.7 | 0 | 0 | 0 | 117.8 | ||||
| 302 | L | 26.5 | Very low | 35.8 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | -150.9 | 158.8 | -157.9 | 178.5 | 77.7 | 0 | 0 | 0 | 109.9 | ||||
| 303 | P | 41.1 | Very low | 35.1 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | cis | -115.3 | -160.1 | -38.2 | 43 | -26.5 | 0 | 0 | 0 | 110.3 | ||||
| 304 | P | 38.3 | Very low | 34 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | -151.8 | 143.2 | 65.1 | 38.1 | -15.2 | 0 | 0 | 0 | 119.8 | |||||
| 305 | D | 24.6 | Very low | 32.7 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | trans | 66.5 | 155.7 | 137.8 | -143.1 | 10.6 | 0 | 0 | 0 | 125.9 | ||||
| 306 | L | 27.3 | Very low | 32 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 69% | 0.686 | 80% | 0.802 | S | S | * | * | trans | 70.1 | 92.2 | 157.8 | -77.4 | 160.6 | 0 | 0 | 0 | 123.7 | ||||
| 307 | K | 27.9 | Very low | 31.2 | Very low | 198 Ų | 198 | 143.3 Ų | 143.3 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | 77.3 | 105.1 | 115.2 | -166.3 | 176.1 | -173 | 174.4 | 0 | 121.8 | |||||
| 308 | G | 26.9 | Very low | 30.6 | Very low | 81 Ų | 81 | 140.8 Ų | 140.8 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 177.8 | 128.7 | 157.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 309 | R | 26.3 | Very low | 29.9 | Very low | 212 Ų | 212 | 138.4 Ų | 138.4 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | -70.8 | 159.9 | 171.1 | -84.8 | 144.6 | 57.7 | 177.1 | -4.6 | 111.1 | ||||
| 310 | F | 28 | Very low | 30 | Very low | 182 Ų | 182 | 141.4 Ų | 141.4 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | cis | -153 | 159.3 | 26.1 | -101.1 | -73 | 0 | 0 | 0 | 111.4 | ||||
| 311 | G | 27.1 | Very low | 29.8 | Very low | 70 Ų | 70 | 136.1 Ų | 136.1 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | 152.5 | 125.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 312 | H | 30.2 | Very low | 29.6 | Very low | 192 Ų | 192 | 135.3 Ų | 135.3 | 89% | 0.889 | 79% | 0.794 | S | S | * | * | trans | -137 | 169.7 | 174 | -83.3 | -21.5 | 0 | 0 | 0 | 108.8 | ||||
| 313 | P | 41.1 | Very low | 30 | Very low | 115 Ų | 115 | 137 Ų | 137 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | cis | -118.7 | -162.9 | -1.1 | 41.2 | -25 | 0 | 0 | 0 | 111.1 | ||||
| 314 | C | 27.1 | Very low | 29.5 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | cis | -142 | 161.4 | 10.9 | -85.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 315 | S | 27.3 | Very low | 29.4 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -133 | 129.7 | 177.9 | -62 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 316 | M | 32 | Very low | 29.7 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | 38.3 | 122.4 | 142.9 | -65.6 | -159.1 | -78.2 | 0 | 0 | 123.5 | ||||
| 317 | L | 29.4 | Very low | 29.8 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | 50.3 | 126.7 | 119.3 | -57.1 | 173.9 | 0 | 0 | 0 | 122.2 | |||||
| 318 | S | 27.8 | Very low | 30.1 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | 56.8 | 118.3 | 131.9 | -54.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 319 | S | 26.9 | Very low | 30.1 | Very low | 114 Ų | 114 | 143 Ų | 143 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | 178.7 | 165.6 | 116.3 | -162 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 320 | L | 31.3 | Very low | 30.5 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -48.3 | 147.8 | -173.8 | -69.7 | 71.6 | 0 | 0 | 0 | 116.7 | ||||
| 321 | G | 26.7 | Very low | 30.5 | Very low | 80 Ų | 80 | 138.8 Ų | 138.8 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | -152.3 | 132.1 | 160 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 322 | S | 28.6 | Very low | 30.8 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -106.2 | 137.2 | 178.8 | 157 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 323 | E | 33.7 | Very low | 31.5 | Very low | 193 Ų | 193 | 137.9 Ų | 137.9 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | trans | -146.7 | 147.1 | 159.7 | -141.7 | 162.1 | -133.2 | 0 | 0 | 113.2 | ||||
| 324 | V | 30.7 | Very low | 31.7 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | trans | -122 | 137.1 | 176.1 | 172.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 325 | V | 36.3 | Very low | 31.8 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | 173.2 | 114 | 143.3 | 147.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 326 | E | 31.9 | Very low | 32.1 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 58% | 0.584 | 76% | 0.76 | S | S | * | * | trans | 51.1 | 130.7 | 137.3 | -54.4 | -144.5 | 124.7 | 0 | 0 | 125.5 | ||||
| 327 | R | 29.1 | Very low | 32.1 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | 57.7 | 118.8 | 128.2 | -62.2 | 171.4 | 177.7 | 152.9 | -4 | 119.8 | I329 | R327-I329 HydrophobicContact CG-CD1 4.06Å; R327-I329 HydrophobicContact CG-CG1 4.45Å | |||
| 328 | R | 34.7 | Very low | 32.1 | Very low | 256 Ų | 256 | 139.9 Ų | 139.9 | 97% | 0.966 | 75% | 0.745 | S | S | * | * | -130.1 | 148.5 | 114.1 | -113.8 | 175.5 | -75.5 | -151 | -0.9 | 110.1 | |||||
| 329 | I | 26.1 | Very low | 32.2 | Very low | 99 Ų | 99 | 141.1 Ų | 141.1 | 51% | 0.508 | 74% | 0.742 | S | S | . | * | trans | -130 | 136.7 | -166.7 | -68.2 | 170.2 | 0 | 0 | 0 | 108.9 | R327 H331 | R327-I329 HydrophobicContact CG-CD1 4.06Å; R327-I329 HydrophobicContact CG-CG1 4.45Å; I329-H331 WeakPolarHBondContact CG2-CE1 3.42Å; I329-H331 WeakPolarHBondContact CG2-ND1 3.36Å | ||
| 330 | I | 33.9 | Very low | 32.1 | Very low | 169 Ų | 169 | 139.7 Ų | 139.7 | 87% | 0.867 | 73% | 0.732 | S | S | * | * | trans | -133.2 | 154.7 | 162.6 | -63 | -175.2 | 0 | 0 | 0 | 108.8 | ||||
| 331 | H | 27.7 | Very low | 31.9 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 63% | 0.634 | 73% | 0.73 | S | S | * | * | trans | -150.4 | 158.9 | -155.3 | -85.8 | 2.5 | 0 | 0 | 0 | 109.4 | I329 | I329-H331 WeakPolarHBondContact CG2-CE1 3.42Å; I329-H331 WeakPolarHBondContact CG2-ND1 3.36Å | ||
| 332 | L | 34.4 | Very low | 31.9 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 71% | 0.707 | 72% | 0.724 | S | S | * | * | cis | -174.4 | -179.5 | -5.5 | -107.3 | 175 | 0 | 0 | 0 | 106.1 | ||||
| 333 | P | 44 | Very low | 31.8 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 71% | 0.708 | 73% | 0.725 | S | S | * | * | cis | -133.7 | -149.4 | -23.9 | 43.3 | -23.7 | 0 | 0 | 0 | 110.4 | ||||
| 334 | P | 46.1 | Very low | 31.4 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | trans | -124.5 | -160 | -168.3 | 46.1 | -33.5 | 0 | 0 | 0 | 115.3 | ||||
| 335 | L | 30.3 | Very low | 31.2 | Very low | 151 Ų | 151 | 144 Ų | 144 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | -131 | 121.7 | 160.6 | -66.7 | 175.4 | 0 | 0 | 0 | 107.6 | ||||
| 336 | I | 31.7 | Very low | 30.6 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 72% | 0.723 | 72% | 0.715 | S | S | * | * | 68.9 | 130.6 | 89.8 | -71.2 | 178.7 | 0 | 0 | 0 | 112.6 | |||||
| 337 | R | 32.8 | Very low | 30.3 | Very low | 197 Ų | 197 | 143.3 Ų | 143.3 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | cis | -168.7 | 165.9 | -5.6 | -104 | 178.2 | 101.2 | 135.3 | 11.5 | 107.3 | ||||
| 338 | D | 28.9 | Very low | 30.1 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 54% | 0.535 | 73% | 0.727 | S | S | . | * | cis | -156.6 | 174.6 | -0.7 | -138.7 | -4.8 | 0 | 0 | 0 | 115.9 | ||||
| 339 | L | 30.9 | Very low | 29.8 | Very low | 139 Ų | 139 | 135.1 Ų | 135.1 | 73% | 0.728 | 72% | 0.72 | S | S | * | * | trans | -30.8 | 167.1 | 147.8 | -64.5 | 164.2 | 0 | 0 | 0 | 118.6 | ||||
| 340 | S | 25.4 | Very low | 29.9 | Very low | 84 Ų | 84 | 137.1 Ų | 137.1 | 59% | 0.587 | 73% | 0.727 | S | S | * | * | cis | 178.5 | 148.4 | -19.8 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 341 | S | 26.4 | Very low | 29.7 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | trans | 63.3 | 171.7 | 151.8 | 84 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 342 | S | 26.6 | Very low | 29.6 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | cis | -177.1 | 145.7 | -34.1 | 174.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 343 | R | 26.6 | Very low | 29.2 | Very low | 214 Ų | 214 | 144 Ų | 144 | 81% | 0.808 | 74% | 0.743 | S | S | * | * | trans | 72.4 | 149.4 | 151.2 | 166.5 | -178.5 | -70.9 | -162.2 | -3.7 | 120.4 | ||||
| 344 | R | 25.4 | Very low | 28.5 | Very low | 205 Ų | 205 | 145.5 Ų | 145.5 | 77% | 0.774 | 74% | 0.744 | S | S | * | * | trans | 99 | 114.5 | 154.6 | -103.7 | 172.6 | -166.5 | 152.9 | 0.4 | 120.4 | ||||
| 345 | T | 25.2 | Very low | 27.8 | Very low | 128 Ų | 128 | 145.9 Ų | 145.9 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | 61.2 | 148.9 | 135.3 | 46.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 346 | S | 25.4 | Very low | 28.2 | Very low | 92 Ų | 92 | 144.1 Ų | 144.1 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | cis | -167.2 | 155.8 | -3.6 | 36.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 347 | D | 24.7 | Very low | 28 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 79% | 0.786 | 74% | 0.742 | S | S | * | * | trans | 49.7 | 105.8 | 144.6 | -51.6 | -27.4 | 0 | 0 | 0 | 123.4 | ||||
| 348 | S | 25.8 | Very low | 27.5 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | 70.4 | 124.2 | 122.4 | 74.5 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 349 | L | 28.6 | Very low | 27.3 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | 69 | 152.9 | 146.9 | -56 | 162.8 | 0 | 0 | 0 | 117 | ||||
| 350 | H | 27.3 | Very low | 27.3 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 65% | 0.653 | 75% | 0.752 | S | S | * | * | cis | -147.7 | 170.1 | 8.3 | -150.4 | 53.6 | 0 | 0 | 0 | 113.2 | ||||
| 351 | Q | 29.8 | Very low | 28.2 | Very low | 157 Ų | 157 | 146.9 Ų | 146.9 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -10.8 | 146.9 | 169 | -61.1 | 171.1 | -2 | 0 | 0 | 121.8 | ||||
| 352 | Q | 26.1 | Very low | 28.5 | Very low | 201 Ų | 201 | 149.6 Ų | 149.6 | 94% | 0.939 | 75% | 0.752 | S | S | * | * | -157.7 | -168.4 | 114.8 | -122.6 | 175.2 | 0.3 | 0 | 0 | 115 | |||||
| 353 | W | 25.9 | Very low | 28.8 | Very low | 228 Ų | 228 | 151 Ų | 151 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | trans | -138.2 | 179.5 | -145.4 | -149.7 | 54.7 | 0 | 0 | 0 | 114 | ||||
| 354 | L | 28.6 | Very low | 29 | Very low | 139 Ų | 139 | 148.6 Ų | 148.6 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | trans | 91.1 | 156.7 | 163.3 | -66.6 | 167.6 | 0 | 0 | 0 | 122.3 | ||||
| 355 | T | 30.8 | Very low | 29.3 | Very low | 121 Ų | 121 | 148.8 Ų | 148.8 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | -123.5 | 173.5 | -174.9 | 50.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 356 | P | 39.3 | Very low | 29.6 | Very low | 114 Ų | 114 | 149.5 Ų | 149.5 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | trans | -133.4 | 128.5 | 138.1 | 31.5 | -17.2 | 0 | 0 | 0 | 113.2 | ||||
| 357 | I | 26.6 | Very low | 29.8 | Very low | 140 Ų | 140 | 148.3 Ų | 148.3 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | 66.9 | 110.9 | 87.1 | -50.6 | 153.3 | 0 | 0 | 0 | 115.3 | |||||
| 358 | H | 23.7 | Very low | 30.1 | Very low | 177 Ų | 177 | 153.2 Ų | 153.2 | 82% | 0.819 | 76% | 0.763 | S | S | * | * | -174.7 | 168.7 | 114.9 | -115.3 | -77.9 | 0 | 0 | 0 | 116.8 | |||||
| 359 | S | 24.1 | Very low | 30.3 | Very low | 100 Ų | 100 | 158.5 Ų | 158.5 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | trans | -65.9 | 156.3 | -159.2 | 41.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 360 | R | 31.1 | Very low | 30.4 | Very low | 188 Ų | 188 | 158 Ų | 158 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | trans | -47.6 | 169.4 | 155.7 | -103.2 | 178.1 | -179.7 | 168.1 | -2.2 | 115.3 | ||||
| 361 | P | 44.2 | Very low | 30.5 | Very low | 114 Ų | 114 | 159.4 Ų | 159.4 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | cis | -153 | 155.1 | 49.4 | 40.7 | -18.3 | 0 | 0 | 0 | 122.8 | ||||
| 362 | W | 33.3 | Very low | 30.5 | Very low | 173 Ų | 173 | 159.7 Ų | 159.7 | 66% | 0.655 | 77% | 0.769 | S | S | * | * | trans | 35.4 | 127.9 | 142.6 | -57.1 | 121.2 | 0 | 0 | 0 | 127.3 | ||||
| 363 | D | 31.8 | Very low | 30.9 | Very low | 131 Ų | 131 | 158.2 Ų | 158.2 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | 65.1 | 118.1 | 131.9 | -62.2 | -19.2 | 0 | 0 | 0 | 125.6 | ||||
| 364 | L | 32.1 | Very low | 32.1 | Very low | 165 Ų | 165 | 152.7 Ų | 152.7 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | -153.5 | 164.9 | 115.7 | -136.1 | 78.1 | 0 | 0 | 0 | 113.4 | |||||
| 365 | R | 30.4 | Very low | 32.6 | Very low | 209 Ų | 209 | 152.1 Ų | 152.1 | 79% | 0.789 | 75% | 0.747 | S | S | * | * | trans | -45.4 | 167.6 | 178 | -72.4 | 167.5 | -174.5 | -87.3 | -0.1 | 118 | ||||
| 366 | D | 31.4 | Very low | 32.4 | Very low | 142 Ų | 142 | 155.9 Ų | 155.9 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | cis | -149.7 | 166.3 | 1.3 | -127.2 | -52.7 | 0 | 0 | 0 | 110.9 | ||||
| 367 | G | 31 | Very low | 32.3 | Very low | 67 Ų | 67 | 158.8 Ų | 158.8 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | trans | -111.8 | 178 | -159.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 368 | R | 31 | Very low | 32.4 | Very low | 250 Ų | 250 | 161.1 Ų | 161.1 | 94% | 0.943 | 76% | 0.764 | S | S | * | * | trans | -158.3 | 160.6 | 150 | -152.9 | 162.5 | -75.7 | -145.5 | 0.9 | 111.8 | ||||
| 369 | R | 30.1 | Very low | 32.6 | Very low | 212 Ų | 212 | 160.6 Ų | 160.6 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | trans | -84.6 | 146 | -170 | -62.6 | -177 | -171.5 | 164.9 | 1.8 | 113 | ||||
| 370 | Q | 30.5 | Very low | 32.9 | Very low | 148 Ų | 148 | 162.1 Ų | 162.1 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | 52.5 | 146 | 87.2 | -42.5 | 167 | -70.3 | 0 | 0 | 114.3 | |||||
| 371 | H | 28.7 | Very low | 32.8 | Very low | 171 Ų | 171 | 160.5 Ų | 160.5 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | cis | -144.1 | -162.9 | 32.2 | -89.3 | -80.1 | 0 | 0 | 0 | 114.6 | ||||
| 372 | H | 30.4 | Very low | 32 | Very low | 163 Ų | 163 | 161.4 Ų | 161.4 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -148.9 | 144.4 | -162.5 | 152.4 | 94.8 | 0 | 0 | 0 | 112.6 | ||||
| 373 | Y | 33.9 | Very low | 31.7 | Very low | 170 Ų | 170 | 164.9 Ų | 164.9 | 67% | 0.667 | 77% | 0.774 | S | S | * | * | trans | 63.5 | 161.1 | 170.8 | -109 | -112.4 | 0 | 0 | 0 | 116.9 | D375 | Y373-D375 WeakPolarHBondContact CE1-OD2 3.49Š| ||
| 374 | P | 51.1 | Low | 31.4 | Very low | 112 Ų | 112 | 161.9 Ų | 161.9 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | -147.7 | 170.4 | 71 | 41.9 | -22.9 | 0 | 0 | 0 | 118.4 | |||||
| 375 | D | 39.5 | Very low | 32.5 | Very low | 128 Ų | 128 | 159.9 Ų | 159.9 | 68% | 0.684 | 77% | 0.771 | S | S | * | * | trans | -94.6 | 158.1 | 153.4 | -74.3 | -61.2 | 0 | 0 | 0 | 110 | Y373 | Y373-D375 WeakPolarHBondContact CE1-OD2 3.49Š| ||
| 376 | F | 25.7 | Very low | 32.4 | Very low | 199 Ų | 199 | 159.1 Ų | 159.1 | 87% | 0.873 | 77% | 0.774 | S | S | * | * | trans | -162.9 | 155.6 | 157.1 | -115.9 | -74.3 | 0 | 0 | 0 | 115.4 | ||||
| 377 | H | 37.3 | Very low | 32.2 | Very low | 175 Ų | 175 | 157 Ų | 157 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | -126.8 | 138.4 | 173.3 | -109.7 | -89.9 | 0 | 0 | 0 | 109.7 | ||||
| 378 | Q | 28.8 | Very low | 32.1 | Very low | 189 Ų | 189 | 166.1 Ų | 166.1 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -167.1 | -174.9 | 148.4 | -142.6 | 70.8 | 70.7 | 0 | 0 | 110.9 | ||||
| 379 | E | 29 | Very low | 32 | Very low | 166 Ų | 166 | 158.2 Ų | 158.2 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -143.7 | -178.1 | -158.7 | -151.5 | -176.7 | 120.7 | 0 | 0 | 112.9 | ||||
| 380 | L | 30.7 | Very low | 32.1 | Very low | 133 Ų | 133 | 155.3 Ų | 155.3 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | trans | 75.3 | 144.8 | 175.9 | -93.8 | 65.9 | 0 | 0 | 0 | 116.6 | ||||
| 381 | Q | 28.7 | Very low | 32 | Very low | 154 Ų | 154 | 154.5 Ų | 154.5 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | cis | -156.5 | 164.2 | -0.2 | -157 | 175.6 | 66.9 | 0 | 0 | 112.5 | ||||
| 382 | D | 27.4 | Very low | 31.9 | Very low | 133 Ų | 133 | 155 Ų | 155 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | 64.7 | 100 | 148.1 | -105.1 | 39 | 0 | 0 | 0 | 123.6 | ||||
| 383 | R | 26.9 | Very low | 31.8 | Very low | 245 Ų | 245 | 155.4 Ų | 155.4 | 93% | 0.925 | 76% | 0.757 | S | S | * | * | 161.8 | 145.3 | 117.2 | -91.7 | -178.6 | 169.9 | -175.9 | -2.3 | 113.5 | |||||
| 384 | G | 25.7 | Very low | 31.7 | Very low | 69 Ų | 69 | 153.8 Ų | 153.8 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | -136.9 | -156.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 385 | P | 54.8 | Low | 30.7 | Very low | 122 Ų | 122 | 156.7 Ų | 156.7 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | cis | -132.1 | 165.4 | -30.3 | 39.9 | -26.5 | 0 | 0 | 0 | 113 | ||||
| 386 | K | 28.5 | Very low | 30.3 | Very low | 194 Ų | 194 | 157.2 Ų | 157.2 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | 173.3 | 130.5 | 158.2 | -95 | 144 | -174.2 | 179.7 | 0 | 107.2 | ||||
| 387 | S | 27.4 | Very low | 31.2 | Very low | 97 Ų | 97 | 154 Ų | 154 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | cis | 71.1 | 100.7 | 47.8 | 83.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 388 | W | 27.9 | Very low | 30.9 | Very low | 259 Ų | 259 | 150.6 Ų | 150.6 | 98% | 0.981 | 76% | 0.762 | S | S | * | * | trans | -153.6 | 161.9 | 151.2 | -94.1 | 104.5 | 0 | 0 | 0 | 109.2 | ||||
| 389 | A | 28.4 | Very low | 30.7 | Very low | 84 Ų | 84 | 153.5 Ų | 153.5 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | trans | -149.2 | -179.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 390 | L | 32.2 | Very low | 30.8 | Very low | 150 Ų | 150 | 150.1 Ų | 150.1 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 88.8 | 142.7 | 161.4 | -120.2 | 162.5 | 0 | 0 | 0 | 118.7 | ||||
| 391 | E | 28.1 | Very low | 30.6 | Very low | 132 Ų | 132 | 147.3 Ų | 147.3 | 62% | 0.617 | 76% | 0.763 | S | S | * | * | trans | 84.7 | 100.9 | 156.2 | -133.1 | 137.5 | -166.3 | 0 | 0 | 117.7 | ||||
| 392 | R | 27.2 | Very low | 30.6 | Very low | 181 Ų | 181 | 150.5 Ų | 150.5 | 68% | 0.683 | 77% | 0.768 | S | S | * | * | 81.1 | 138.3 | 75.6 | -161.8 | -169.5 | -108.2 | 165.6 | -11.4 | 110 | |||||
| 393 | R | 29.5 | Very low | 30.6 | Very low | 172 Ų | 172 | 151.6 Ų | 151.6 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | cis | -165 | 155.6 | 48.3 | -166.5 | 174.9 | -90.9 | -100.5 | 13.4 | 113.6 | ||||
| 394 | E | 29.8 | Very low | 30.9 | Very low | 135 Ų | 135 | 150.9 Ų | 150.9 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | trans | 25.9 | 135.4 | 155.7 | -69.5 | 137.5 | -137.5 | 0 | 0 | 122.7 | ||||
| 395 | L | 30.7 | Very low | 31 | Very low | 174 Ų | 174 | 152.1 Ų | 152.1 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | -163.2 | 147.6 | 94.9 | -100.8 | 168.5 | 0 | 0 | 0 | 112.4 | |||||
| 396 | D | 31.7 | Very low | 29.9 | Very low | 139 Ų | 139 | 151.1 Ų | 151.1 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -145.7 | 149.8 | -174.3 | -157.4 | 31.5 | 0 | 0 | 0 | 108 | ||||
| 397 | P | 44.2 | Very low | 29.9 | Very low | 130 Ų | 130 | 153.1 Ų | 153.1 | 84% | 0.844 | 76% | 0.762 | S | S | * | * | trans | -140.3 | 155.2 | 140.1 | 33.2 | -17.5 | 0 | 0 | 0 | 115 | ||||
| 398 | S | 31.4 | Very low | 30.1 | Very low | 105 Ų | 105 | 156.1 Ų | 156.1 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -123.2 | 170 | -165.2 | 58.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 399 | W | 25.3 | Very low | 30.2 | Very low | 250 Ų | 250 | 151.2 Ų | 151.2 | 95% | 0.947 | 76% | 0.763 | S | S | * | * | trans | -168.3 | 155 | 161.1 | -115.7 | 43.4 | 0 | 0 | 0 | 110.4 | ||||
| 400 | S | 30.4 | Very low | 30.2 | Very low | 95 Ų | 95 | 151 Ų | 151 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | cis | -167.4 | 160.9 | -34.9 | 65.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 401 | G | 26.2 | Very low | 30.3 | Very low | 73 Ų | 73 | 149.6 Ų | 149.6 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | trans | 99.4 | 121.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 402 | R | 29.2 | Very low | 31.3 | Very low | 221 Ų | 221 | 148.8 Ų | 148.8 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | cis | 86.9 | 123.5 | 20.4 | -148.1 | 177.5 | -70.1 | -161.4 | 0.4 | 112.6 | ||||
| 403 | H | 28 | Very low | 31.5 | Very low | 157 Ų | 157 | 147 Ų | 147 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | -158.2 | 146.2 | 66.5 | -82.1 | -98.6 | 0 | 0 | 0 | 112.1 | |||||
| 404 | R | 31.6 | Very low | 31.3 | Very low | 229 Ų | 229 | 146.5 Ų | 146.5 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | 48.4 | 141.5 | 93.3 | -72.5 | -170.3 | 179.1 | -176.4 | -0.4 | 117.2 | |||||
| 405 | S | 28.4 | Very low | 31.2 | Very low | 96 Ų | 96 | 150 Ų | 150 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | cis | -176.1 | 148.5 | -10 | 48.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 406 | S | 30.9 | Very low | 31.1 | Very low | 100 Ų | 100 | 145.6 Ų | 145.6 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | 59.3 | 124.2 | 146.6 | 66.6 | 0 | 0 | 0 | 0 | 124 | ||||
| 407 | R | 29 | Very low | 31.1 | Very low | 236 Ų | 236 | 146.4 Ų | 146.4 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | 161 | 124.9 | 113.2 | -89.5 | -174.6 | -176.1 | -156.2 | 2.5 | 113.1 | |||||
| 408 | L | 32.5 | Very low | 30.4 | Very low | 161 Ų | 161 | 150.2 Ų | 150.2 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | 173.1 | 158.6 | 122.5 | -96.7 | 163.4 | 0 | 0 | 0 | 114 | |||||
| 409 | N | 30 | Very low | 30.4 | Very low | 156 Ų | 156 | 150.6 Ų | 150.6 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -57 | 165.1 | -166.1 | -53.3 | -14 | 0 | 0 | 0 | 118.8 | ||||
| 410 | G | 28.6 | Very low | 30.6 | Very low | 78 Ų | 78 | 143.5 Ų | 143.5 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | 126 | 85.5 | 136.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 411 | S | 32.6 | Very low | 30.6 | Very low | 121 Ų | 121 | 146.9 Ų | 146.9 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -109.9 | 164.6 | 176 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 412 | P | 50.9 | Low | 30.8 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | trans | -101.9 | -144.5 | -157 | 41.9 | -37.9 | 0 | 0 | 0 | 114.8 | ||||
| 413 | I | 29.6 | Very low | 30.9 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | 93.1 | 142.4 | -177.1 | -51.3 | 154.5 | 0 | 0 | 0 | 110.8 | ||||
| 414 | H | 25.5 | Very low | 31 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 75% | 0.75 | 77% | 0.771 | S | S | * | * | cis | -155.7 | 142.4 | 47.4 | -155.8 | -94.8 | 0 | 0 | 0 | 109.2 | ||||
| 415 | W | 28.7 | Very low | 31.7 | Very low | 209 Ų | 209 | 138.6 Ų | 138.6 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | 76.6 | 110 | 58.2 | -80.5 | 83 | 0 | 0 | 0 | 117.5 | |||||
| 416 | S | 28 | Very low | 31.6 | Very low | 81 Ų | 81 | 138.6 Ų | 138.6 | 57% | 0.566 | 77% | 0.766 | S | S | * | * | trans | 26.1 | 126.3 | 147.1 | 63.6 | 0 | 0 | 0 | 0 | 126 | ||||
| 417 | D | 32.6 | Very low | 31.4 | Very low | 156 Ų | 156 | 138.6 Ų | 138.6 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | 66.3 | 151.7 | 125.3 | -74.1 | -43.7 | 0 | 0 | 0 | 126.7 | |||||
| 418 | R | 29.7 | Very low | 31.5 | Very low | 209 Ų | 209 | 132.8 Ų | 132.8 | 79% | 0.789 | 76% | 0.761 | S | S | * | * | trans | 77.7 | 145.9 | 170.6 | -60.3 | -168.2 | 74.4 | 175 | -6.3 | 116.7 | ||||
| 419 | D | 30.3 | Very low | 31.4 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 61% | 0.61 | 76% | 0.756 | S | S | * | * | cis | -156.2 | 169.3 | 9.3 | -125.5 | -1.3 | 0 | 0 | 0 | 113 | ||||
| 420 | S | 30.7 | Very low | 31.4 | Very low | 100 Ų | 100 | 128.3 Ų | 128.3 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | trans | 93.5 | 115.4 | 158.1 | -47.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 421 | L | 30.6 | Very low | 31.4 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 87% | 0.869 | 74% | 0.736 | S | S | * | * | trans | 45.6 | 138.8 | 130.7 | -58.5 | 165.4 | 0 | 0 | 0 | 120.2 | ||||
| 422 | S | 29.9 | Very low | 31.2 | Very low | 95 Ų | 95 | 138 Ų | 138 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | cis | -154.1 | 176.7 | 42.3 | -59.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 423 | D | 31.3 | Very low | 30.3 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | trans | 80 | 143 | 153.8 | -56.2 | -29.8 | 0 | 0 | 0 | 122.7 | ||||
| 424 | V | 29.4 | Very low | 30.8 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | trans | -161 | 156.2 | -163 | 158 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 425 | P | 47 | Very low | 30.8 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | cis | -123.5 | -172.7 | 10.9 | 27.9 | -2.5 | 0 | 0 | 0 | 113.3 | ||||
| 426 | S | 25.7 | Very low | 30.8 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | 168 | 143.7 | 67.4 | -174.6 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 427 | S | 27.5 | Very low | 31.8 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | 71 | 160.4 | 140.8 | 58.8 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 428 | S | 31.5 | Very low | 32.8 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | trans | 74.6 | 119.2 | -178.9 | 71.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 429 | E | 29.8 | Very low | 32.7 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | cis | 59.9 | 134.5 | 27.1 | -86.1 | -138 | 99.8 | 0 | 0 | 115.1 | R431 | E429-R431 IonicContact OE1-CZ 2.83Å; E429-R431 IonicContact OE1-NE 3.78Å; E429-R431 IonicContact OE1-NH2 2.86Å; E429-R431 PolarHBondContact OE1-NH2 3.32Å | ||
| 430 | A | 30.3 | Very low | 32.7 | Very low | 64 Ų | 64 | 140.5 Ų | 140.5 | 53% | 0.529 | 75% | 0.752 | S | S | . | * | cis | -166.2 | -175.1 | -9.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 431 | R | 27.9 | Very low | 32.6 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | trans | 39.2 | 136.1 | 147 | -64.6 | 166.5 | -105.5 | -152.4 | -1.7 | 118.6 | E429 | E429-R431 IonicContact OE1-CZ 2.83Å; E429-R431 IonicContact OE1-NE 3.78Å; E429-R431 IonicContact OE1-NH2 2.86Å; E429-R431 PolarHBondContact OE1-NH2 3.32Å | ||
| 432 | W | 28 | Very low | 32.6 | Very low | 223 Ų | 223 | 143.8 Ų | 143.8 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | -170 | 155.6 | 63.1 | -79.6 | 94.3 | 0 | 0 | 0 | 113.2 | |||||
| 433 | R | 32.8 | Very low | 32.4 | Very low | 225 Ų | 225 | 144 Ų | 144 | 85% | 0.849 | 75% | 0.754 | S | S | * | * | trans | -104.9 | 149.5 | 146.4 | -87.8 | -81.5 | -155.9 | 178.3 | 4.1 | 106.3 | ||||
| 434 | P | 39.5 | Very low | 32.4 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | -158.2 | 178.2 | 88.9 | 38.1 | -16.3 | 0 | 0 | 0 | 118.3 | |||||
| 435 | S | 25.1 | Very low | 32.3 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | trans | 68.5 | 130.5 | 144.4 | 50.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 436 | H | 29 | Very low | 31.4 | Very low | 177 Ų | 177 | 148.5 Ų | 148.5 | 82% | 0.819 | 74% | 0.741 | S | S | * | * | trans | -88.7 | -156.8 | 154.7 | -41 | -101.8 | 0 | 0 | 0 | 109.1 | ||||
| 437 | P | 49 | Very low | 32.3 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | cis | -129.4 | -127.5 | -16.9 | 35.6 | -11.2 | 0 | 0 | 0 | 109 | ||||
| 438 | P | 53.2 | Low | 32.3 | Very low | 94 Ų | 94 | 151.8 Ų | 151.8 | 61% | 0.61 | 74% | 0.744 | S | S | * | * | cis | -133.2 | 171 | -34 | 36.7 | -19.4 | 0 | 0 | 0 | 116.1 | ||||
| 439 | F | 28.6 | Very low | 32.1 | Very low | 193 Ų | 193 | 157.2 Ų | 157.2 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | -174.2 | 121.4 | 128.5 | -102.5 | -75.6 | 0 | 0 | 0 | 106.3 | |||||
| 440 | R | 29.5 | Very low | 31.9 | Very low | 225 Ų | 225 | 156 Ų | 156 | 85% | 0.849 | 75% | 0.745 | S | S | * | * | 52.2 | 135.1 | 63.9 | -79.3 | -169.5 | 175.2 | -174.1 | 0.7 | 113.3 | |||||
| 441 | S | 28.8 | Very low | 31.8 | Very low | 105 Ų | 105 | 158 Ų | 158 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | cis | -166.5 | -174.8 | -8.5 | 54.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 442 | R | 29.8 | Very low | 32.8 | Very low | 230 Ų | 230 | 154.4 Ų | 154.4 | 87% | 0.868 | 76% | 0.755 | S | S | * | * | cis | -158.8 | -173.2 | 15.4 | -156.5 | 173.9 | 168.9 | 174.4 | -2.9 | 111 | ||||
| 443 | C | 27.2 | Very low | 32.9 | Very low | 100 Ų | 100 | 153.7 Ų | 153.7 | 68% | 0.676 | 75% | 0.752 | S | S | * | * | trans | -72.9 | -175 | 178.7 | -37.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 444 | Q | 30.8 | Very low | 32.8 | Very low | 156 Ų | 156 | 149.6 Ų | 149.6 | 73% | 0.729 | 74% | 0.743 | S | S | * | * | cis | -166.3 | -171.1 | 14.9 | -139.1 | 157.4 | -49.6 | 0 | 0 | 108.7 | ||||
| 445 | E | 27.4 | Very low | 32.4 | Very low | 136 Ų | 136 | 148.9 Ų | 148.9 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | cis | -157.6 | -125.3 | 3.8 | -171.1 | 34.1 | -83.7 | 0 | 0 | 111.6 | ||||
| 446 | R | 28.9 | Very low | 32.9 | Very low | 213 Ų | 213 | 149.5 Ų | 149.5 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | trans | -151.6 | -178 | -177 | -90.8 | -179.4 | 165.9 | 179 | -1.7 | 107.8 | ||||
| 447 | P | 43 | Very low | 33.2 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | cis | -146.5 | -179.4 | 16.8 | 42.9 | -20.7 | 0 | 0 | 0 | 119.8 | ||||
| 448 | H | 28.1 | Very low | 32.3 | Very low | 158 Ų | 158 | 151.4 Ų | 151.4 | 73% | 0.731 | 73% | 0.73 | S | S | * | * | trans | 25.6 | 134.5 | 149.1 | -54.4 | -44.8 | 0 | 0 | 0 | 128.2 | ||||
| 449 | R | 26.8 | Very low | 31.3 | Very low | 227 Ų | 227 | 155.5 Ų | 155.5 | 86% | 0.857 | 74% | 0.741 | S | S | * | * | trans | 68.7 | 160 | 135.6 | -75.5 | -178.2 | 170.7 | 168.5 | -1.9 | 119.5 | ||||
| 450 | L | 26.7 | Very low | 31.5 | Very low | 134 Ų | 134 | 149.6 Ų | 149.6 | 70% | 0.702 | 74% | 0.735 | S | S | * | * | cis | -162.9 | 131.3 | 3.1 | -125.4 | 169.3 | 0 | 0 | 0 | 113.9 | ||||
| 451 | S | 28.4 | Very low | 31.6 | Very low | 104 Ų | 104 | 149.4 Ų | 149.4 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | 51.7 | -174.2 | 149.6 | 77 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 452 | P | 47.5 | Very low | 31.7 | Very low | 105 Ų | 105 | 153.9 Ų | 153.9 | 68% | 0.682 | 74% | 0.735 | S | S | * | * | cis | -137.8 | -179.7 | -11.7 | 42.1 | -24.8 | 0 | 0 | 0 | 117.7 | ||||
| 453 | R | 31 | Very low | 31.8 | Very low | 209 Ų | 209 | 152.7 Ų | 152.7 | 79% | 0.789 | 73% | 0.73 | S | S | * | * | trans | 69.8 | 154.6 | 150 | -89.1 | -177.3 | 151.9 | -171 | -26 | 120 | ||||
| 454 | E | 30.8 | Very low | 32.1 | Very low | 138 Ų | 138 | 158.4 Ų | 158.4 | 65% | 0.645 | 74% | 0.738 | S | S | * | * | cis | -157.6 | 155.6 | -17.5 | -145.9 | 152.7 | -140.9 | 0 | 0 | 106.4 | ||||
| 455 | S | 30.1 | Very low | 32 | Very low | 90 Ų | 90 | 159.3 Ų | 159.3 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | 173.5 | 153.7 | 57 | 51.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 456 | T | 36 | Very low | 32 | Very low | 119 Ų | 119 | 164.3 Ų | 164.3 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | trans | 53.2 | 144.9 | 155.1 | 58.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 457 | Q | 36.7 | Very low | 32.2 | Very low | 141 Ų | 141 | 158.3 Ų | 158.3 | 66% | 0.659 | 75% | 0.746 | S | S | * | * | cis | -169.5 | 166.3 | -0.6 | -113.9 | -176 | 109.9 | 0 | 0 | 107.9 | ||||
| 458 | R | 29.3 | Very low | 31.6 | Very low | 193 Ų | 193 | 163.8 Ų | 163.8 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | cis | -146.6 | -104.7 | -11.2 | -159.5 | 179.8 | -168.7 | 129.6 | -9.1 | 110.5 | ||||
| 459 | H | 31.5 | Very low | 32 | Very low | 180 Ų | 180 | 161.4 Ų | 161.4 | 83% | 0.833 | 76% | 0.755 | S | S | * | * | trans | -150.3 | 166.2 | -172.8 | -50.4 | -43 | 0 | 0 | 0 | 110 | ||||
| 460 | G | 32.6 | Very low | 33.5 | Very low | 70 Ų | 70 | 156.4 Ų | 156.4 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | cis | 161.2 | 163.2 | -9.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 461 | R | 32.4 | Very low | 34.6 | Very low | 221 Ų | 221 | 155.4 Ų | 155.4 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | trans | 46.6 | 122.9 | 154.1 | -73.6 | -172.5 | 172.7 | -161.5 | -1.7 | 123.4 | ||||
| 462 | R | 31.4 | Very low | 34.8 | Very low | 198 Ų | 198 | 158.2 Ų | 158.2 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | 93.1 | 114.2 | 128.2 | -77.6 | 179.3 | 170.4 | -167.2 | -2.2 | 123.4 | |||||
| 463 | R | 31.7 | Very low | 34.8 | Very low | 205 Ų | 205 | 158.4 Ų | 158.4 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | 62.9 | 114.5 | 125.2 | -77.8 | -173 | 169.5 | -169.1 | -3.3 | 122.2 | |||||
| 464 | R | 32.1 | Very low | 34.7 | Very low | 220 Ų | 220 | 153.8 Ų | 153.8 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | 155.1 | 157.9 | 103.9 | -101.4 | 173.7 | 172.9 | 176.3 | -3.5 | 115.7 | |||||
| 465 | H | 29.7 | Very low | 34.5 | Very low | 175 Ų | 175 | 150.7 Ų | 150.7 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -58.7 | 149.1 | -170.3 | -51.9 | -101.5 | 0 | 0 | 0 | 120.7 | ||||
| 466 | R | 27.6 | Very low | 34.6 | Very low | 242 Ų | 242 | 155 Ų | 155 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | 172.6 | 154.1 | 128.6 | -99.2 | 174.8 | 170.1 | 155.4 | -4.1 | 109.5 | |||||
| 467 | S | 33.8 | Very low | 34.2 | Very low | 87 Ų | 87 | 154.2 Ų | 154.2 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | cis | -175.1 | 157.9 | -31.2 | 43.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 468 | Y | 29.6 | Very low | 34 | Very low | 223 Ų | 223 | 152.5 Ų | 152.5 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | trans | 87.2 | 157.4 | 172.5 | -69.5 | -81.2 | 0 | 0 | 0 | 120.3 | ||||
| 469 | S | 36.1 | Very low | 33.9 | Very low | 108 Ų | 108 | 155.4 Ų | 155.4 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -157.1 | 174.6 | -172 | -47.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 470 | P | 58.2 | Low | 33.7 | Very low | 123 Ų | 123 | 151.6 Ų | 151.6 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | cis | -117.2 | -136.9 | 5.8 | 32.1 | -6.9 | 0 | 0 | 0 | 109.3 | ||||
| 471 | P | 50.2 | Low | 33.7 | Very low | 113 Ų | 113 | 153 Ų | 153 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | cis | -137.5 | -137 | -6.9 | 44.1 | -21.8 | 0 | 0 | 0 | 114.8 | ||||
| 472 | L | 33.8 | Very low | 33.5 | Very low | 162 Ų | 162 | 150.3 Ų | 150.3 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | -135.7 | -176.5 | 177.3 | -66.5 | 116.2 | 0 | 0 | 0 | 107.7 | ||||
| 473 | P | 47.3 | Very low | 33.7 | Very low | 109 Ų | 109 | 149.4 Ų | 149.4 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | cis | -138.9 | -178.3 | 3 | 39.4 | -18.5 | 0 | 0 | 0 | 117 | ||||
| 474 | S | 28.4 | Very low | 33.8 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | 55.4 | 132 | 143.1 | 65 | 0 | 0 | 0 | 0 | 123 | ||||
| 475 | G | 26.3 | Very low | 33.8 | Very low | 72 Ų | 72 | 142 Ų | 142 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | 126.8 | 119.5 | 136.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 476 | L | 31.9 | Very low | 33.9 | Very low | 181 Ų | 181 | 140.7 Ų | 140.7 | 95% | 0.948 | 77% | 0.767 | S | S | * | * | trans | -161.7 | 151 | 151.6 | -115.5 | 156.2 | 0 | 0 | 0 | 110.4 | ||||
| 477 | S | 28.9 | Very low | 33.9 | Very low | 103 Ų | 103 | 141 Ų | 141 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | -138.6 | 154.3 | -168.3 | 53.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 478 | S | 31.8 | Very low | 33.7 | Very low | 104 Ų | 104 | 145.8 Ų | 145.8 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 45.9 | 127.5 | 149.4 | -162.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 479 | W | 27.1 | Very low | 34.5 | Very low | 254 Ų | 254 | 139.4 Ų | 139.4 | 96% | 0.962 | 77% | 0.767 | S | S | * | * | trans | -160 | 140.4 | 134.9 | -84.5 | -2.6 | 0 | 0 | 0 | 105.2 | ||||
| 480 | S | 26.8 | Very low | 34.3 | Very low | 101 Ų | 101 | 142.8 Ų | 142.8 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | cis | 83 | 131.4 | 33 | -163.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 481 | S | 32 | Very low | 32.8 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | cis | -104.3 | -100.8 | -4 | -171.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 482 | E | 29.6 | Very low | 31.8 | Very low | 166 Ų | 166 | 147.4 Ų | 147.4 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | cis | -145.8 | -167.9 | 9.5 | -138.1 | 95.7 | 118.9 | 0 | 0 | 112.1 | ||||
| 483 | E | 34.5 | Very low | 31.6 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | -95.7 | 160.8 | -169.5 | -40 | -172.1 | 143 | 0 | 0 | 111.9 | ||||
| 484 | D | 34.5 | Very low | 30.9 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 62% | 0.62 | 77% | 0.772 | S | S | * | * | cis | -164.7 | 179.4 | 34.5 | -150.9 | -2.7 | 0 | 0 | 0 | 107 | ||||
| 485 | K | 31.4 | Very low | 31.1 | Very low | 152 Ų | 152 | 146.4 Ų | 146.4 | 66% | 0.661 | 78% | 0.776 | S | S | * | * | cis | -149.9 | -140.8 | 4.9 | -162.3 | 148.5 | -144.4 | 70.5 | 0 | 112.1 | ||||
| 486 | E | 32.1 | Very low | 31.3 | Very low | 148 Ų | 148 | 155.1 Ų | 155.1 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -113.3 | 149.1 | -157.6 | -57.5 | 156 | 93.8 | 0 | 0 | 115.5 | ||||
| 487 | R | 27.4 | Very low | 31.3 | Very low | 250 Ų | 250 | 158.3 Ų | 158.3 | 94% | 0.943 | 79% | 0.786 | S | S | * | * | -175.2 | 158.9 | 109.6 | -95.1 | 167.7 | -168.7 | -176.7 | 5.1 | 112 | |||||
| 488 | Q | 29.2 | Very low | 31.3 | Very low | 186 Ų | 186 | 165.1 Ų | 165.1 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | -139.3 | -178.6 | -169.6 | -119.2 | -164.8 | 18.8 | 0 | 0 | 109.1 | ||||
| 489 | P | 46.9 | Very low | 31 | Very low | 89 Ų | 89 | 166.2 Ų | 166.2 | 58% | 0.578 | 80% | 0.804 | S | S | * | * | cis | -138.3 | -161.1 | -1.7 | 34.1 | -10.1 | 0 | 0 | 0 | 115.1 | ||||
| 490 | Q | 31.3 | Very low | 31.1 | Very low | 180 Ų | 180 | 163 Ų | 163 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | 80.6 | 141.9 | 157.7 | -69.9 | 172.1 | 3.8 | 0 | 0 | 118.8 | ||||
| 491 | S | 27.2 | Very low | 31.2 | Very low | 81 Ų | 81 | 162.9 Ų | 162.9 | 57% | 0.566 | 80% | 0.798 | S | S | * | * | cis | -165.1 | 163 | -8.1 | 47.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 492 | W | 29.6 | Very low | 31.4 | Very low | 251 Ų | 251 | 163.8 Ų | 163.8 | 95% | 0.951 | 80% | 0.802 | S | S | * | * | trans | 63.8 | 149.3 | 175.9 | -42 | 90 | 0 | 0 | 0 | 115.2 | ||||
| 493 | G | 29.8 | Very low | 31.3 | Very low | 74 Ų | 74 | 163.7 Ų | 163.7 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | cis | 119.6 | 125.6 | 12.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 494 | A | 32.4 | Very low | 31.1 | Very low | 102 Ų | 102 | 165.8 Ų | 165.8 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | cis | -154.6 | 179.2 | 5.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 495 | H | 32.5 | Very low | 31.3 | Very low | 188 Ų | 188 | 164.8 Ų | 164.8 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | trans | -73.2 | 152.6 | -174.6 | -53.3 | -82 | 0 | 0 | 0 | 116.1 | ||||
| 496 | R | 30.9 | Very low | 31.5 | Very low | 254 Ų | 254 | 166 Ų | 166 | 96% | 0.958 | 81% | 0.809 | S | S | * | * | trans | -142.8 | 167.9 | 143 | -104.2 | 174.1 | -158.6 | -138.2 | 2.2 | 111.5 | ||||
| 497 | R | 30.9 | Very low | 31.7 | Very low | 249 Ų | 249 | 168.2 Ų | 168.2 | 94% | 0.94 | 82% | 0.82 | S | S | * | * | trans | -99.4 | 159.7 | -155.5 | -69.5 | -173.7 | 176.6 | -165.8 | 0.1 | 115.7 | ||||
| 498 | R | 29.1 | Very low | 32.1 | Very low | 246 Ų | 246 | 165.5 Ų | 165.5 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | trans | -44.7 | 146.4 | 169.3 | -57.1 | 170.4 | 176.3 | 166.8 | -4 | 114.6 | ||||
| 499 | S | 26.4 | Very low | 32.6 | Very low | 127 Ų | 127 | 161.7 Ų | 161.7 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | -140.1 | 144.5 | 127.2 | 53.4 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 500 | H | 29.7 | Very low | 32.5 | Very low | 185 Ų | 185 | 163.8 Ų | 163.8 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | -131.8 | 132.3 | -174.4 | -167.8 | -33.9 | 0 | 0 | 0 | 108.1 | ||||
| 501 | S | 28.6 | Very low | 32.5 | Very low | 99 Ų | 99 | 160.5 Ų | 160.5 | 69% | 0.692 | 82% | 0.817 | S | S | * | * | trans | -127.6 | 156 | 168.5 | 50.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 502 | P | 35.9 | Very low | 32.7 | Very low | 118 Ų | 118 | 167.4 Ų | 167.4 | 77% | 0.766 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 139.5 | -178.9 | -7.6 | 26.9 | 0 | 0 | 0 | 111.3 | ||
| 503 | H | 26.8 | Very low | 32.8 | Very low | 163 Ų | 163 | 166.5 Ų | 166.5 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 117 | 172.4 | 175 | 45 | 0 | 0 | 0 | 109.8 | ||
| 504 | W | 31.5 | Very low | 32.9 | Very low | 224 Ų | 224 | 166.6 Ų | 166.6 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 124.9 | 156.8 | -69.9 | 103 | 0 | 0 | 0 | 108.2 | E506 | W504-E506 PolarHBondContact O-N 2.73Š|
| 505 | P | 37.8 | Very low | 32.9 | Very low | 95 Ų | 95 | 169.9 Ų | 169.9 | 62% | 0.617 | 82% | 0.82 | S | S | * | * | trans | -84.2 | 108.6 | 171.9 | 31.3 | -30.1 | 0 | 0 | 0 | 110.1 | E507 | P505-E507 PolarHBondContact O-N 2.71Š| ||
| 506 | E | 36.1 | Very low | 33 | Very low | 176 Ų | 176 | 167.5 Ų | 167.5 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | -71.1 | 119.5 | 172.7 | -143.7 | 89 | 163.4 | 0 | 0 | 109.8 | W504 K508 | W504-E506 PolarHBondContact O-N 2.73Å; E506-K508 PolarHBondContact O-N 3.26Å | ||
| 507 | E | 36.3 | Very low | 33.4 | Very low | 196 Ų | 196 | 162 Ų | 162 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -72 | 114.1 | 175.6 | -76.5 | -165 | 126.2 | 0 | 0 | 111.2 | P505 | P505-E507 PolarHBondContact O-N 2.71Š| ||
| 508 | K | 35.3 | Very low | 33.5 | Very low | 192 Ų | 192 | 156.2 Ų | 156.2 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -97 | 124.4 | 173.1 | -173.6 | 178.1 | -179.5 | 179.3 | 0 | 109.9 | E506 | E506-K508 PolarHBondContact O-N 3.26Š|
| 509 | P | 39.2 | Very low | 33.9 | Very low | 107 Ų | 107 | 150.5 Ų | 150.5 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 147.2 | 179.1 | 26.9 | -34.5 | 0 | 0 | 0 | 111.6 | S511 | P509-S511 PolarHBondContact O-N 3.46Š|
| 510 | P | 45.1 | Very low | 34.1 | Very low | 132 Ų | 132 | 148.6 Ų | 148.6 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 130.8 | -176.8 | 28 | -34.4 | 0 | 0 | 0 | 111.8 | ||
| 511 | S | 32.1 | Very low | 34.4 | Very low | 112 Ų | 112 | 149.3 Ų | 149.3 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 137.2 | 173.9 | 56.9 | 0 | 0 | 0 | 0 | 111.7 | P509 | P509-S511 PolarHBondContact O-N 3.46Š|
| 512 | Y | 29.9 | Very low | 34.5 | Very low | 226 Ų | 226 | 152.4 Ų | 152.4 | 89% | 0.886 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 140.8 | 172 | -158.2 | -99.2 | 0 | 0 | 0 | 112 | ||
| 513 | R | 32.7 | Very low | 34.3 | Very low | 232 Ų | 232 | 151 Ų | 151 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | trans | -124.8 | 115 | 178.1 | -167.8 | 172.9 | -170.1 | 149.6 | 4.7 | 110.6 | ||||
| 514 | S | 31.2 | Very low | 34.6 | Very low | 75 Ų | 75 | 154.5 Ų | 154.5 | 52% | 0.524 | 80% | 0.804 | S | S | . | * | trans | -65.3 | 150.9 | 172.3 | 45.7 | 0 | 0 | 0 | 0 | 111.9 | D516 | S514-D516 PolarHBondContact OG-OD2 3.4Š| ||
| 515 | L | 34 | Very low | 34.8 | Very low | 171 Ų | 171 | 153.6 Ų | 153.6 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | -96.1 | 94.5 | 171.2 | -71.8 | 173.9 | 0 | 0 | 0 | 109.8 | ||||
| 516 | D | 33.7 | Very low | 34.6 | Very low | 139 Ų | 139 | 159.3 Ų | 159.3 | 74% | 0.743 | 82% | 0.821 | S | S | * | * | trans | -85.3 | 115.7 | 173.3 | -66.7 | -61.6 | 0 | 0 | 0 | 110.8 | S514 | S514-D516 PolarHBondContact OG-OD2 3.4Š| ||
| 517 | V | 40.1 | Very low | 34.4 | Very low | 139 Ų | 139 | 154.6 Ų | 154.6 | 84% | 0.842 | 82% | 0.82 | S | S | * | * | trans | -87 | 121.6 | 179 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 518 | T | 31.9 | Very low | 34.2 | Very low | 127 Ų | 127 | 150.6 Ų | 150.6 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | -133.7 | 137.1 | 167.8 | 37.5 | 0 | 0 | 0 | 0 | 112 | G520 | T518-G520 PolarHBondContact O-N 3.19Š| ||
| 519 | P | 37.9 | Very low | 34.3 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | trans | -84.4 | 114 | -171.6 | 31.3 | -34.4 | 0 | 0 | 0 | 113.4 | K521 | P519-K521 PolarHBondContact O-N 3.35Š| ||
| 520 | G | 30.7 | Very low | 34 | Very low | 88 Ų | 88 | 151.7 Ų | 151.7 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | trans | -73.4 | 90.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | T518 | T518-G520 PolarHBondContact O-N 3.19Š| ||
| 521 | K | 35.2 | Very low | 33.5 | Very low | 200 Ų | 200 | 154.9 Ų | 154.9 | 87% | 0.87 | 82% | 0.823 | S | S | * | * | trans | -76.9 | 121.6 | 173.9 | 179.3 | -179.4 | -178.5 | 178 | 0 | 111.4 | P519 | P519-K521 PolarHBondContact O-N 3.35Š| ||
| 522 | N | 31.1 | Very low | 33.4 | Very low | 163 Ų | 163 | 160.7 Ų | 160.7 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | trans | -151 | 172 | 165.3 | -121.3 | -37.4 | 0 | 0 | 0 | 114.1 | ||||
| 523 | S | 32.5 | Very low | 33.5 | Very low | 88 Ų | 88 | 154.2 Ų | 154.2 | 62% | 0.615 | 82% | 0.816 | S | S | * | * | trans | -127.5 | 166.9 | -150.6 | 69.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 524 | R | 33.3 | Very low | 33.5 | Very low | 238 Ų | 238 | 151.8 Ų | 151.8 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | trans | 76.5 | 146.4 | 177.5 | -51 | 169.2 | 174.5 | 178.4 | -3.7 | 113.7 | ||||
| 525 | K | 33.9 | Very low | 33.7 | Very low | 204 Ų | 204 | 156.4 Ų | 156.4 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | cis | -121 | 156 | 3.9 | -70.1 | 177.1 | 178 | 175 | 0 | 111.6 | ||||
| 526 | K | 33.9 | Very low | 33.5 | Very low | 215 Ų | 215 | 153.9 Ų | 153.9 | 94% | 0.935 | 81% | 0.812 | S | S | * | * | trans | -89.6 | 126.6 | 167.3 | -174.3 | 178.6 | -178 | -179.6 | 0 | 108.9 | ||||
| 527 | G | 31.6 | Very low | 33.4 | Very low | 77 Ų | 77 | 151.9 Ų | 151.9 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -156 | 114.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 528 | S | 32.1 | Very low | 33.3 | Very low | 113 Ų | 113 | 150.2 Ų | 150.2 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -103.8 | 119.1 | -169.5 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 529 | V | 37.6 | Very low | 33.7 | Very low | 150 Ų | 150 | 152.9 Ų | 152.9 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -137.1 | 146.5 | 157.6 | -178 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 530 | E | 34.4 | Very low | 33.7 | Very low | 171 Ų | 171 | 152.3 Ų | 152.3 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | -120.2 | 139.8 | -161.7 | 175.2 | -174.3 | -175.5 | 0 | 0 | 111.3 | ||||
| 531 | K | 33.6 | Very low | 33.9 | Very low | 200 Ų | 200 | 151.6 Ų | 151.6 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | trans | 145.9 | 157.6 | 165.1 | -86.9 | 156.7 | -173.9 | 177.8 | 0 | 109.6 | ||||
| 532 | R | 31 | Very low | 34.1 | Very low | 234 Ų | 234 | 153.6 Ų | 153.6 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | cis | -163 | 175.7 | -37.2 | -146.7 | -179.4 | -169.9 | -177.1 | 3.1 | 105.7 | ||||
| 533 | S | 31.3 | Very low | 34.2 | Very low | 90 Ų | 90 | 150.4 Ų | 150.4 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | trans | -72.9 | 144.6 | -178 | 51.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 534 | E | 33.1 | Very low | 34.3 | Very low | 181 Ų | 181 | 152 Ų | 152 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | 168.2 | 125.2 | 137.8 | -90.3 | 142.2 | -145.2 | 0 | 0 | 106.4 | ||||
| 535 | K | 34 | Very low | 34.4 | Very low | 172 Ų | 172 | 146.8 Ų | 146.8 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | cis | 84.3 | 133.2 | 38.5 | -157.7 | -170.6 | 178.9 | -65.4 | 0 | 113 | ||||
| 536 | D | 30.4 | Very low | 34.6 | Very low | 117 Ų | 117 | 148.4 Ų | 148.4 | 63% | 0.626 | 81% | 0.807 | S | S | * | * | trans | 76.5 | 99.9 | 169.8 | -60.9 | -27.7 | 0 | 0 | 0 | 120.2 | ||||
| 537 | S | 32.8 | Very low | 34.6 | Very low | 98 Ų | 98 | 145.1 Ų | 145.1 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | 37.1 | 124.9 | 125.4 | 63.2 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 538 | S | 38 | Very low | 34.8 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | 42.7 | 109.9 | 124 | -48.4 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 539 | H | 39.3 | Very low | 35 | Very low | 183 Ų | 183 | 150.7 Ų | 150.7 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | -175.3 | 147.8 | 106.4 | -115.1 | -99.4 | 0 | 0 | 0 | 115.2 | |||||
| 540 | S | 37.8 | Very low | 34.8 | Very low | 113 Ų | 113 | 150.7 Ų | 150.7 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | 27.2 | 122 | 141.7 | 170.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 541 | G | 34.1 | Very low | 34.8 | Very low | 72 Ų | 72 | 149.4 Ų | 149.4 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 179.5 | 115.6 | 154.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 542 | R | 39.8 | Very low | 34.9 | Very low | 243 Ų | 243 | 146.1 Ų | 146.1 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -16 | 150.5 | 146.6 | -67.2 | 164.9 | 84.4 | 152.5 | 5.1 | 116.3 | ||||
| 543 | S | 34.3 | Very low | 35.2 | Very low | 96 Ų | 96 | 139.8 Ų | 139.8 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | cis | 176.8 | -160.9 | 2.8 | 47.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 544 | V | 34.8 | Very low | 35.5 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | 93.4 | 140.2 | 155.2 | -152.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 545 | V | 35.6 | Very low | 35.7 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | trans | 58.1 | 138.7 | 172.5 | -85.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 546 | I | 37.4 | Very low | 35.8 | Very low | 239 Ų | 239 | 137.6 Ų | 137.6 | 100% | 1.226 | 80% | 0.795 | S | S | * | * | cis | -110.6 | 0 | 4.5 | -61.1 | 175 | 0 | 0 | 0 | 110.3 |
Retrieved 546 of 546 residues in 1636.6 ms
(Link to these results)