| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.9 | Very low | 51.7 | Low | 243 Ų | 243 | 144.3 Ų | 144.3 | 100% | 1.197 | 83% | 0.829 | S | S | * | * | 0 | 88.2 | 0 | -91.1 | -169 | 172.1 | 0 | 0 | 106.4 | |||||
| 2 | D | 47.2 | Very low | 53 | Low | 165 Ų | 165 | 140.1 Ų | 140.1 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -78.4 | 149.9 | -174.5 | -43.1 | -67.7 | 0 | 0 | 0 | 109.8 | ||||
| 3 | G | 47.5 | Very low | 53.9 | Low | 74 Ų | 74 | 143.2 Ų | 143.2 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | 165.7 | 29.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 4 | Y | 52.4 | Low | 55.6 | Low | 238 Ų | 238 | 144.4 Ų | 144.4 | 93% | 0.933 | 79% | 0.79 | S | S | * | * | trans | -149.8 | 62.2 | 160.7 | -142.5 | -93.1 | 0 | 0 | 0 | 112.4 | ||||
| 5 | D | 56.6 | Low | 57.5 | Low | 147 Ų | 147 | 139.9 Ų | 139.9 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -141.3 | 85.1 | 161.7 | -165 | 14.2 | 0 | 0 | 0 | 109.2 | ||||
| 6 | R | 54.6 | Low | 59.2 | Low | 255 Ų | 255 | 134.9 Ų | 134.9 | 96% | 0.962 | 76% | 0.763 | S | S | * | * | trans | -128.2 | 84.1 | 169.6 | -90.3 | -169 | -71.4 | 154.2 | -3.1 | 107.7 | ||||
| 7 | G | 53.6 | Low | 60.6 | Low | 44 Ų | 44 | 137.5 Ų | 137.5 | 45% | 0.454 | 77% | 0.765 | S | S | . | * | trans | 167.4 | 55.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | H9 | G7-H9 PolarHBondContact O-CD2 3.37Å; G7-H9 PolarHBondContact O-N 3.31Å | ||
| 8 | A | 48.6 | Very low | 62.1 | Low | 103 Ų | 103 | 133 Ų | 133 | 85% | 0.851 | 74% | 0.744 | S | S | * | * | trans | -49.4 | 103.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | A10 | A8-A10 PolarHBondContact O-N 3.33Š| ||
| 9 | H | 52.1 | Low | 63.3 | Low | 139 Ų | 139 | 127.7 Ų | 127.7 | 64% | 0.644 | 72% | 0.716 | S | S | * | * | trans | -60.7 | 121 | -175.2 | -77.5 | -99.5 | 0 | 0 | 0 | 108.8 | G7 G11 | G7-H9 PolarHBondContact O-CD2 3.37Å; G7-H9 PolarHBondContact O-N 3.31Å; H9-G11 PolarHBondContact O-N 3.45Å | ||
| 10 | A | 57.5 | Low | 64.6 | Low | 96 Ų | 96 | 126.5 Ų | 126.5 | 79% | 0.793 | 70% | 0.7 | S | S | * | * | trans | -62.6 | 79.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | A8 L12 | A8-A10 PolarHBondContact O-N 3.33Å; A10-L12 VanDerWaalsContact O-CB 3.28Å; A10-L12 WeakPolarHBondContact O-CB 3.45Å; A10-L12 PolarHBondContact O-N 3.11Å | ||
| 11 | G | 58.3 | Low | 65.8 | Low | 83 Ų | 83 | 125.2 Ų | 125.2 | 86% | 0.856 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 50.1 | 5.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | H9 | H9-G11 PolarHBondContact O-N 3.45Š|
| 12 | L | 66.6 | Low | 68.2 | Low | 94 Ų | 94 | 120.6 Ų | 120.6 | 49% | 0.492 | 66% | 0.661 | S | S | . | * | trans | -127.5 | 92.7 | -164.9 | -161 | 72.5 | 0 | 0 | 0 | 109.7 | A10 R14 | A10-L12 VanDerWaalsContact O-CB 3.28Å; A10-L12 WeakPolarHBondContact O-CB 3.45Å; A10-L12 PolarHBondContact O-N 3.11Å; L12-R14 HydrophobicContact CD2-CG 3.82Å; L12-R14 HydrophobicContact CG-CG 3.7Å; L12-R14 PolarHBondContact O-N 2.9Å | ||
| 13 | E | 64.9 | Low | 70.1 | Confident | 180 Ų | 180 | 113 Ų | 113 | 84% | 0.841 | 62% | 0.62 | S | S | * | * | trans | -66.8 | 66.4 | 172.4 | -68.1 | -90.9 | 105 | 0 | 0 | 110.5 | ||||
| 14 | R | 77.6 | Confident | 72.1 | Confident | 160 Ų | 160 | 112.7 Ų | 112.7 | 60% | 0.604 | 60% | 0.599 | S | S | * | * | trans | -96.8 | 123.3 | 170.4 | -66.1 | -124.6 | 171 | 101.7 | 2 | 109.5 | L12 | L12-R14 HydrophobicContact CD2-CG 3.82Å; L12-R14 HydrophobicContact CG-CG 3.7Å; L12-R14 PolarHBondContact O-N 2.9Å | ||
| 15 | S | 84.3 | Confident | 73.8 | Confident | 77 Ų | 77 | 102 Ų | 102 | 54% | 0.538 | 56% | 0.559 | S | S | . | * | trans | -63 | 142.6 | 168.6 | 66.5 | 0 | 0 | 0 | 0 | 110.7 | K17 S18 C19 | S15-K17 PolarHBondContact O-N 3.12Å; S15-K17 VanDerWaalsContact O-N 3.08Å; S15-S18 WeakPolarHBondContact O-CB 3.41Å; S15-S18 PolarHBondContact O-N 3.29Å; S15-S18 PolarHBondContact OG-N 3.27Å; S15-C19 PolarHBondContact O-N 3.21Å; S15-C19 VanDerWaalsContact O-N 3.17Å | ||
| 16 | G | 85.5 | Confident | 75.4 | Confident | 60 Ų | 60 | 100.6 Ų | 100.6 | 62% | 0.619 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -54.3 | -31.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | C19 R20 | G16-C19 PolarHBondContact O-N 3.08Å; G16-R20 WeakPolarHBondContact O-CB 3.49Å; G16-R20 PolarHBondContact O-N 3.3Å |
| 17 | K | 82.5 | Confident | 77 | Confident | 180 Ų | 180 | 90.9 Ų | 90.9 | 78% | 0.783 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.2 | -44.3 | 174.2 | -176 | 177.2 | -178.5 | 177.9 | 0 | 112.8 | S15 R20 L21 | S15-K17 PolarHBondContact O-N 3.12Å; S15-K17 VanDerWaalsContact O-N 3.08Å; K17-R20 PolarHBondContact O-N 3.3Å; K17-L21 PolarHBondContact O-N 3.16Å |
| 18 | S | 86.7 | Confident | 78.6 | Confident | 56 Ų | 56 | 90.2 Ų | 90.2 | 39% | 0.392 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.9 | -41 | 178.4 | -173 | 0 | 0 | 0 | 0 | 111.1 | S15 L21 R22 | S15-S18 WeakPolarHBondContact O-CB 3.41Å; S15-S18 PolarHBondContact O-N 3.29Å; S15-S18 PolarHBondContact OG-N 3.27Å; S18-L21 PolarHBondContact O-N 3.36Å; S18-R22 WeakPolarHBondContact O-CB 3.25Å; S18-R22 PolarHBondContact O-N 3.47Å |
| 19 | C | 86.3 | Confident | 80.4 | Confident | 33 Ų | 33 | 89.2 Ų | 89.2 | 22% | 0.223 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -60.1 | -49.2 | 175.3 | -170.4 | 0 | 0 | 0 | 0 | 110.7 | S15 G16 L21 R22 W23 Y213 | S15-C19 PolarHBondContact O-N 3.21Å; S15-C19 VanDerWaalsContact O-N 3.17Å; G16-C19 PolarHBondContact O-N 3.08Å; C19-L21 PolarHBondContact O-N 3.4Å; C19-R22 PolarHBondContact O-N 3.2Å; C19-R22 VanDerWaalsContact O-N 3.14Å; C19-W23 PolarHBondContact O-N 3.07Å; C19-Y213 VanDerWaalsContact SG-CE1 3.57Å |
| 20 | R | 89.3 | Confident | 82.1 | Confident | 103 Ų | 103 | 87.4 Ų | 87.4 | 39% | 0.389 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -55.8 | -48.1 | 176.8 | -165.6 | -172 | 177.2 | -150.6 | 5.8 | 113.1 | G16 K17 R22 W23 M24 E206 F209 | G16-R20 WeakPolarHBondContact O-CB 3.49Å; G16-R20 PolarHBondContact O-N 3.3Å; K17-R20 PolarHBondContact O-N 3.3Å; R20-R22 VanDerWaalsContact C-N 3.31Å; R20-R22 PolarHBondContact O-N 3.28Å; R20-W23 PolarHBondContact O-N 3.38Å; R20-M24 HydrophobicContact CG-CE 3.79Å; R20-M24 HydrophobicContact CG-CG 4.42Å; R20-M24 HydrophobicContact CG-SD 3.96Å; R20-M24 WeakPolarHBondContact O-CG 3.47Å; R20-M24 PolarHBondContact O-N 2.95Å; R20-M24 VanDerWaalsContact O-N 3.08Å; R20-E206 IonicContact NH2-OE1 3.99Å; R20-E206 PolarHBondContact NH2-OE1 3.13Å; R20-E206 VanDerWaalsContact NH2-OE1 3.08Å; R20-F209 HydrophobicContact CB-CE1 4.32Å; R20-F209 HydrophobicContact CB-CE2 4.2Å; R20-F209 HydrophobicContact CB-CZ 3.98Å; R20-F209 HydrophobicContact CG-CD2 4.13Å; R20-F209 HydrophobicContact CG-CE1 4.41Å; R20-F209 HydrophobicContact CG-CE2 3.81Å; R20-F209 HydrophobicContact CG-CZ 4.06Å |
| 21 | L | 89.7 | Confident | 83.5 | Confident | 100 Ų | 100 | 84 Ų | 84 | 52% | 0.524 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 178.7 | -174.2 | 73.7 | 0 | 0 | 0 | 111.6 | K17 S18 C19 N25 | K17-L21 PolarHBondContact O-N 3.16Å; S18-L21 PolarHBondContact O-N 3.36Å; C19-L21 PolarHBondContact O-N 3.4Å; L21-N25 VanDerWaalsContact CD1-ND2 3.31Å; L21-N25 WeakPolarHBondContact CD1-ND2 3.44Å; L21-N25 WeakPolarHBondContact O-CB 3.01Å; L21-N25 PolarHBondContact O-N 3.21Å; L21-N25 VanDerWaalsContact O-N 3.13Å; L21-N25 PolarHBondContact O-ND2 3.4Å |
| 22 | R | 90 | Very high | 84.8 | Confident | 145 Ų | 145 | 81.7 Ų | 81.7 | 55% | 0.547 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | -178.2 | -171 | 69.6 | -177.7 | -158.5 | 0.5 | 111.4 | S18 C19 R20 Y26 L27 | S18-R22 WeakPolarHBondContact O-CB 3.25Å; S18-R22 PolarHBondContact O-N 3.47Å; C19-R22 PolarHBondContact O-N 3.2Å; C19-R22 VanDerWaalsContact O-N 3.14Å; R20-R22 VanDerWaalsContact C-N 3.31Å; R20-R22 PolarHBondContact O-N 3.28Å; R22-Y26 WeakPolarHBondContact O-CA 3.49Å; R22-Y26 WeakPolarHBondContact O-CB 3.4Å; R22-Y26 PolarHBondContact O-N 3.36Å; R22-L27 HydrophobicContact CG-CD1 3.78Å; R22-L27 HydrophobicContact CG-CG 4.01Å; R22-L27 PolarHBondContact O-N 3.37Å |
| 23 | W | 87.9 | Confident | 85.8 | Confident | 6 Ų | 6 | 86.1 Ų | 86.1 | 2% | 0.023 | 42% | 0.424 | C | S | . | . | I | π-helix | trans | -64.6 | -54.6 | 177.3 | 171.6 | -92.2 | 0 | 0 | 0 | 112.4 | C19 R20 N25 Y26 L27 Q28 F209 E212 Y213 F216 | C19-W23 PolarHBondContact O-N 3.07Å; R20-W23 PolarHBondContact O-N 3.38Å; W23-N25 PolarHBondContact O-N 2.96Å; W23-N25 VanDerWaalsContact O-N 3.13Å; W23-Y26 PolarHBondContact O-N 3.16Å; W23-L27 HydrophobicContact CE3-CB 3.64Å; W23-L27 HydrophobicContact CZ3-CB 4.18Å; W23-L27 PolarHBondContact O-N 3.06Å; W23-Q28 HydrophobicContact CD2-CB 4.48Å; W23-Q28 HydrophobicContact CZ2-CB 4.44Å; W23-Q28 HydrophobicContact CZ2-CG 4.29Å; W23-Q28 PolarHBondContact O-N 3.27Å; W23-F209 HydrophobicContact CB-CE2 3.46Å; W23-F209 VanDerWaalsContact CB-CE2 3.46Å; W23-F209 HydrophobicContact CB-CZ 3.81Å; W23-F209 AromaticContact CD1-CD2 3.47Å; W23-F209 VanDerWaalsContact CD1-CD2 3.47Å; W23-F209 AromaticContact CD1-CE2 3.17Å; W23-F209 HydrophobicContact CG-CD2 4.14Å; W23-F209 AromaticContact CG-CE2 3.43Å; W23-F209 HydrophobicContact CG-CE2 3.43Å; W23-F209 VanDerWaalsContact CG-CE2 3.43Å; W23-F209 HydrophobicContact CG-CZ 4.09Å; W23-E212 HydrophobicContact CZ2-CB 4.05Å; W23-Y213 HydrophobicContact CD2-CD2 4.08Å; W23-Y213 AromaticContact CE3-CD2 3.41Å; W23-Y213 HydrophobicContact CE3-CD2 3.41Å; W23-Y213 VanDerWaalsContact CE3-CD2 3.41Å; W23-Y213 HydrophobicContact CE3-CE2 4.15Å; W23-Y213 HydrophobicContact CE3-CG 4.35Å; W23-Y213 AromaticContact CZ3-CD2 3.85Å; W23-Y213 HydrophobicContact CZ3-CD2 3.85Å; W23-F216 HydrophobicContact CH2-CB 3.72Å; W23-F216 HydrophobicContact CH2-CD1 4.28Å; W23-F216 AromaticContact CH2-CG 3.94Å; W23-F216 HydrophobicContact CH2-CG 3.94Å; W23-F216 HydrophobicContact CZ3-CB 3.86Å; W23-F216 AromaticContact CZ3-CD1 3.59Å; W23-F216 HydrophobicContact CZ3-CD1 3.59Å; W23-F216 HydrophobicContact CZ3-CE1 4.25Å; W23-F216 AromaticContact CZ3-CG 3.74Å; W23-F216 HydrophobicContact CZ3-CG 3.74Å |
| 24 | M | 89.3 | Confident | 87 | Confident | 67 Ų | 67 | 83.9 Ų | 83.9 | 33% | 0.33 | 41% | 0.413 | S | S | . | . | I | π-helix | trans | -62.5 | -25.8 | -176.4 | -65.1 | -176 | -51 | 0 | 0 | 113.9 | R20 T66 | R20-M24 HydrophobicContact CG-CE 3.79Å; R20-M24 HydrophobicContact CG-CG 4.42Å; R20-M24 HydrophobicContact CG-SD 3.96Å; R20-M24 WeakPolarHBondContact O-CG 3.47Å; R20-M24 PolarHBondContact O-N 2.95Å; R20-M24 VanDerWaalsContact O-N 3.08Å; M24-T66 WeakPolarHBondContact O-CG2 3.25Å |
| 25 | N | 88.7 | Confident | 87.6 | Confident | 15 Ų | 15 | 80.6 Ų | 80.6 | 8% | 0.08 | 41% | 0.413 | C | S | . | . | I | π-helix | trans | -107.6 | -13.5 | -176.2 | -69.4 | -89.3 | 0 | 0 | 0 | 114.8 | L21 W23 L31 N68 | L21-N25 VanDerWaalsContact CD1-ND2 3.31Å; L21-N25 WeakPolarHBondContact CD1-ND2 3.44Å; L21-N25 WeakPolarHBondContact O-CB 3.01Å; L21-N25 PolarHBondContact O-N 3.21Å; L21-N25 VanDerWaalsContact O-N 3.13Å; L21-N25 PolarHBondContact O-ND2 3.4Å; W23-N25 PolarHBondContact O-N 2.96Å; W23-N25 VanDerWaalsContact O-N 3.13Å; N25-L31 WeakPolarHBondContact O-CD2 3.22Å; N25-N68 VanDerWaalsContact OD1-CB 3.26Å; N25-N68 WeakPolarHBondContact OD1-CB 3.38Å |
| 26 | Y | 89.6 | Confident | 88 | Confident | 117 Ų | 117 | 78.3 Ų | 78.3 | 46% | 0.459 | 39% | 0.394 | S | S | . | . | I | π-helix | trans | -144.9 | -36.3 | -171.8 | -56.5 | -79.6 | 0 | 0 | 0 | 115.3 | R22 W23 | R22-Y26 WeakPolarHBondContact O-CA 3.49Å; R22-Y26 WeakPolarHBondContact O-CB 3.4Å; R22-Y26 PolarHBondContact O-N 3.36Å; W23-Y26 PolarHBondContact O-N 3.16Å |
| 27 | L | 88.5 | Confident | 88.3 | Confident | 51 Ų | 51 | 78 Ų | 78 | 27% | 0.267 | 38% | 0.382 | S | S | . | . | I | π-helix | trans | -100.8 | -17.6 | -171.2 | -52.9 | 175.3 | 0 | 0 | 0 | 114.3 | R22 W23 Y213 | R22-L27 HydrophobicContact CG-CD1 3.78Å; R22-L27 HydrophobicContact CG-CG 4.01Å; R22-L27 PolarHBondContact O-N 3.37Å; W23-L27 HydrophobicContact CE3-CB 3.64Å; W23-L27 HydrophobicContact CZ3-CB 4.18Å; W23-L27 PolarHBondContact O-N 3.06Å; L27-Y213 HydrophobicContact CD1-CE2 4.14Å |
| 28 | Q | 87.3 | Confident | 88.8 | Confident | 30 Ų | 30 | 78.7 Ų | 78.7 | 14% | 0.14 | 38% | 0.38 | C | S | . | . | trans | -59.5 | 132 | 179.3 | -170.8 | -175.7 | -44.3 | 0 | 0 | 110.6 | W23 D30 L31 | W23-Q28 HydrophobicContact CD2-CB 4.48Å; W23-Q28 HydrophobicContact CZ2-CB 4.44Å; W23-Q28 HydrophobicContact CZ2-CG 4.29Å; W23-Q28 PolarHBondContact O-N 3.27Å; Q28-D30 VanDerWaalsContact C-N 3.28Å; Q28-D30 PolarHBondContact NE2-OD2 3.4Å; Q28-D30 PolarHBondContact O-N 3.39Å; Q28-L31 VanDerWaalsContact O-CB 3.27Å; Q28-L31 WeakPolarHBondContact O-CB 3.41Å; Q28-L31 PolarHBondContact O-N 2.96Å; Q28-L31 VanDerWaalsContact O-N 3.12Å | ||
| 29 | P | 86.9 | Confident | 89.2 | Confident | 81 Ų | 81 | 82.8 Ų | 82.8 | 53% | 0.526 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -31.9 | -175 | 22.6 | -34 | 0 | 0 | 0 | 113.6 | L31 | P29-L31 PolarHBondContact O-N 3.06Š|
| 30 | D | 87.3 | Confident | 89.6 | Confident | 102 Ų | 102 | 82.2 Ų | 82.2 | 55% | 0.545 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -3.7 | 179.2 | -50 | -38.5 | 0 | 0 | 0 | 113.9 | Q28 G64 R205 | Q28-D30 VanDerWaalsContact C-N 3.28Å; Q28-D30 PolarHBondContact NE2-OD2 3.4Å; Q28-D30 PolarHBondContact O-N 3.39Å; D30-G64 VanDerWaalsContact O-CA 3.27Å; D30-G64 WeakPolarHBondContact O-CA 3.35Å; D30-R205 IonicContact OD2-NH2 3.9Å |
| 31 | L | 87.2 | Confident | 89.8 | Confident | 24 Ų | 24 | 80.4 Ų | 80.4 | 13% | 0.126 | 38% | 0.383 | C | S | . | . | trans | -79.2 | 123.6 | -177.9 | -173.2 | 66.9 | 0 | 0 | 0 | 110.7 | N25 Q28 P29 R33 T66 | N25-L31 WeakPolarHBondContact O-CD2 3.22Å; Q28-L31 VanDerWaalsContact O-CB 3.27Å; Q28-L31 WeakPolarHBondContact O-CB 3.41Å; Q28-L31 PolarHBondContact O-N 2.96Å; Q28-L31 VanDerWaalsContact O-N 3.12Å; P29-L31 PolarHBondContact O-N 3.06Å; L31-R33 PolarHBondContact O-N 3.04Å; L31-T66 HydrophobicContact CD1-CG2 3.33Å; L31-T66 HydrophobicContact CD2-CG2 4.45Å | ||
| 32 | S | 85.8 | Confident | 90 | Very high | 34 Ų | 34 | 80.3 Ų | 80.3 | 24% | 0.238 | 38% | 0.383 | C | S | . | . | trans | -71.3 | 126.5 | 173.5 | 63.1 | 0 | 0 | 0 | 0 | 110.7 | G64 R65 | S32-G64 WeakPolarHBondContact CB-O 3.31Å; S32-G64 PolarHBondContact N-O 3.22Å; S32-G64 PolarHBondContact OG-O 3.08Å; S32-R65 WeakPolarHBondContact OG-CD 3.43Å; S32-R65 PolarHBondContact OG-NE 2.89Å; S32-R65 PolarHBondContact OG-NH1 3.31Å | ||
| 33 | R | 87.1 | Confident | 90.3 | Very high | 188 Ų | 188 | 78.2 Ų | 78.2 | 71% | 0.709 | 38% | 0.375 | S | S | * | . | trans | -91.2 | -10.8 | 177.2 | -61.7 | -179.5 | 178.8 | 108.5 | 2.8 | 112.8 | L31 | L31-R33 PolarHBondContact O-N 3.04Š| ||
| 34 | E | 88.7 | Confident | 90.6 | Very high | 133 Ų | 133 | 77.9 Ų | 77.9 | 62% | 0.621 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -67.7 | 151.2 | -178.6 | -65.9 | -54.4 | 134.5 | 0 | 0 | 111.8 | R65 | E34-R65 VanDerWaalsContact O-CZ 3.31Å; E34-R65 PolarHBondContact O-NH1 2.84Å; E34-R65 PolarHBondContact O-NH2 3.32Å |
| 35 | P | 90.9 | Very high | 90.9 | Very high | 90 Ų | 90 | 76.4 Ų | 76.4 | 58% | 0.584 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 153.7 | 170.2 | 27.2 | -34.7 | 0 | 0 | 0 | 110.8 | S37 R65 | P35-S37 PolarHBondContact O-N 3.41Å; P35-S37 VanDerWaalsContact O-N 3.15Å; P35-R65 PolarHBondContact O-NH2 2.85Å |
| 36 | I | 91.9 | Very high | 91.2 | Very high | 30 Ų | 30 | 78.8 Ų | 78.8 | 15% | 0.154 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 119.4 | 177.9 | -62 | -171.3 | 0 | 0 | 0 | 109.3 | E40 E41 I44 Y73 | I36-E40 HydrophobicContact CG2-CB 3.57Å; I36-E41 HydrophobicContact CG2-CG 3.83Å; I36-I44 HydrophobicContact CD1-CD1 3.79Å; I36-I44 HydrophobicContact CG2-CD1 3.88Å; I36-Y73 HydrophobicContact CB-CD2 4.29Å; I36-Y73 VanDerWaalsContact CD1-CB 3.44Å; I36-Y73 HydrophobicContact CD1-CD1 4.47Å; I36-Y73 HydrophobicContact CD1-CD2 3.95Å; I36-Y73 HydrophobicContact CD1-CG 3.69Å; I36-Y73 HydrophobicContact CG2-CD2 4.4Å |
| 37 | S | 93.6 | Very high | 91.5 | Very high | 52 Ų | 52 | 74.3 Ų | 74.3 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 151.2 | 177.6 | 158.5 | 0 | 0 | 0 | 0 | 111.1 | P35 Q39 E40 E41 | P35-S37 PolarHBondContact O-N 3.41Å; P35-S37 VanDerWaalsContact O-N 3.15Å; S37-Q39 PolarHBondContact O-N 3.49Å; S37-Q39 VanDerWaalsContact O-N 3.1Å; S37-Q39 PolarHBondContact OG-N 3Å; S37-E40 PolarHBondContact N-OE2 3.36Å; S37-E40 CarbonylContact O-C 3.6Å; S37-E40 WeakPolarHBondContact O-CA 3.45Å; S37-E40 VanDerWaalsContact O-CB 3.24Å; S37-E40 WeakPolarHBondContact O-CB 3.44Å; S37-E40 PolarHBondContact O-N 3.18Å; S37-E41 WeakPolarHBondContact O-CG 3.45Å; S37-E41 PolarHBondContact O-N 2.85Å |
| 38 | R | 92.5 | Very high | 91.9 | Very high | 196 Ų | 196 | 73.3 Ų | 73.3 | 74% | 0.74 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -51.2 | -37.6 | 174.7 | -170.8 | 179.4 | 178.7 | -154.8 | -0.9 | 113.4 | E40 E41 D42 | R38-E40 VanDerWaalsContact C-N 3.31Å; R38-E40 PolarHBondContact O-N 2.89Å; R38-E41 WeakPolarHBondContact O-CB 3.42Å; R38-E41 PolarHBondContact O-N 3.35Å; R38-D42 PolarHBondContact O-N 3.1Å; R38-D42 VanDerWaalsContact O-N 3.08Å |
| 39 | Q | 94.1 | Very high | 92.2 | Very high | 142 Ų | 142 | 79.8 Ų | 79.8 | 66% | 0.664 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.5 | -34.4 | 175.9 | -67.5 | 179.1 | -20.7 | 0 | 0 | 112.4 | S37 R43 | S37-Q39 PolarHBondContact O-N 3.49Å; S37-Q39 VanDerWaalsContact O-N 3.1Å; S37-Q39 PolarHBondContact OG-N 3Å; Q39-R43 WeakPolarHBondContact O-CG 3.47Å; Q39-R43 PolarHBondContact O-N 2.85Å; Q39-R43 PolarHBondContact O-NE 3.42Å |
| 40 | E | 94.9 | Very high | 92.6 | Very high | 21 Ų | 21 | 81.7 Ų | 81.7 | 10% | 0.098 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -71.6 | -38.6 | 172.9 | -67.3 | 179.5 | 117.3 | 0 | 0 | 111.1 | I36 S37 R38 D42 R43 I44 M62 R65 | I36-E40 HydrophobicContact CG2-CB 3.57Å; S37-E40 PolarHBondContact N-OE2 3.36Å; S37-E40 CarbonylContact O-C 3.6Å; S37-E40 WeakPolarHBondContact O-CA 3.45Å; S37-E40 VanDerWaalsContact O-CB 3.24Å; S37-E40 WeakPolarHBondContact O-CB 3.44Å; S37-E40 PolarHBondContact O-N 3.18Å; R38-E40 VanDerWaalsContact C-N 3.31Å; R38-E40 PolarHBondContact O-N 2.89Å; E40-D42 VanDerWaalsContact C-N 3.34Å; E40-D42 PolarHBondContact O-N 3.46Å; E40-R43 CarbonylContact O-C 3.52Å; E40-R43 WeakPolarHBondContact O-CB 3.49Å; E40-R43 PolarHBondContact O-N 2.98Å; E40-I44 VanDerWaalsContact O-CG1 3.29Å; E40-I44 WeakPolarHBondContact O-CG1 3.17Å; E40-I44 PolarHBondContact O-N 3.02Å; E40-M62 HydrophobicContact CB-CE 3.61Å; E40-M62 HydrophobicContact CG-CE 3.9Å; E40-R65 WeakPolarHBondContact OE1-CG 3.33Å; E40-R65 IonicContact OE1-CZ 2.92Å; E40-R65 IonicContact OE1-NE 3.51Å; E40-R65 PolarHBondContact OE1-NE 3.01Å; E40-R65 IonicContact OE1-NH2 3.08Å; E40-R65 IonicContact OE2-CZ 3.65Å; E40-R65 IonicContact OE2-NE 2.82Å; E40-R65 PolarHBondContact OE2-NE 3.45Å; E40-R65 IonicContact OE2-NH2 3.59Å; E40-R65 PolarHBondContact OE2-NH2 2.89Å |
| 41 | E | 94.1 | Very high | 93 | Very high | 64 Ų | 64 | 78.1 Ų | 78.1 | 30% | 0.299 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.3 | -47 | 175.1 | -59 | -172.6 | 169.1 | 0 | 0 | 111.7 | I36 S37 R38 R43 I44 V45 Y73 | I36-E41 HydrophobicContact CG2-CG 3.83Å; S37-E41 WeakPolarHBondContact O-CG 3.45Å; S37-E41 PolarHBondContact O-N 2.85Å; R38-E41 WeakPolarHBondContact O-CB 3.42Å; R38-E41 PolarHBondContact O-N 3.35Å; E41-R43 VanDerWaalsContact C-N 3.3Å; E41-R43 PolarHBondContact O-N 3.24Å; E41-I44 PolarHBondContact O-N 3.41Å; E41-V45 WeakPolarHBondContact O-CG2 3.13Å; E41-V45 PolarHBondContact O-N 3.48Å; E41-Y73 HydrophobicContact CB-CE1 4.19Å; E41-Y73 VanDerWaalsContact CB-OH 3.31Å; E41-Y73 WeakPolarHBondContact CB-OH 3.47Å; E41-Y73 HydrophobicContact CG-CE1 4.15Å; E41-Y73 HydrophobicContact CG-CE2 3.75Å; E41-Y73 WeakPolarHBondContact CG-OH 3.35Å; E41-Y73 PolarHBondContact OE1-OH 3.26Å; E41-Y73 PolarHBondContact OE2-OH 3.47Å; E41-Y73 VanDerWaalsContact OE2-OH 3.1Å |
| 42 | D | 94.4 | Very high | 93.3 | Very high | 99 Ų | 99 | 78.2 Ų | 78.2 | 53% | 0.529 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.1 | -37.5 | 177.8 | -71.5 | -29.7 | 0 | 0 | 0 | 111.7 | R38 E40 S46 | R38-D42 PolarHBondContact O-N 3.1Å; R38-D42 VanDerWaalsContact O-N 3.08Å; E40-D42 VanDerWaalsContact C-N 3.34Å; E40-D42 PolarHBondContact O-N 3.46Å; D42-S46 WeakPolarHBondContact O-CB 3.16Å; D42-S46 PolarHBondContact O-N 2.96Å; D42-S46 PolarHBondContact O-OG 3.46Å |
| 43 | R | 95.5 | Very high | 93.7 | Very high | 100 Ų | 100 | 81.4 Ų | 81.4 | 38% | 0.377 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 172.6 | -75.6 | -176.1 | -77.9 | 172.7 | -6.1 | 111.9 | Q39 E40 E41 V45 S46 L47 M62 | Q39-R43 WeakPolarHBondContact O-CG 3.47Å; Q39-R43 PolarHBondContact O-N 2.85Å; Q39-R43 PolarHBondContact O-NE 3.42Å; E40-R43 CarbonylContact O-C 3.52Å; E40-R43 WeakPolarHBondContact O-CB 3.49Å; E40-R43 PolarHBondContact O-N 2.98Å; E41-R43 VanDerWaalsContact C-N 3.3Å; E41-R43 PolarHBondContact O-N 3.24Å; R43-V45 VanDerWaalsContact C-N 3.35Å; R43-V45 PolarHBondContact O-N 3.03Å; R43-S46 WeakPolarHBondContact CA-OG 3.3Å; R43-S46 PolarHBondContact O-N 3.42Å; R43-S46 PolarHBondContact O-OG 3.19Å; R43-L47 VanDerWaalsContact O-CB 3.26Å; R43-L47 WeakPolarHBondContact O-CB 3.39Å; R43-L47 VanDerWaalsContact O-CG 3.25Å; R43-L47 WeakPolarHBondContact O-CG 3.45Å; R43-L47 PolarHBondContact O-N 3.38Å; R43-M62 HydrophobicContact CB-SD 4.44Å |
| 44 | I | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 177 | -67.1 | 166.6 | 0 | 0 | 0 | 110.2 | I36 E40 E41 Q48 M62 I70 Y73 | I36-I44 HydrophobicContact CD1-CD1 3.79Å; I36-I44 HydrophobicContact CG2-CD1 3.88Å; E40-I44 VanDerWaalsContact O-CG1 3.29Å; E40-I44 WeakPolarHBondContact O-CG1 3.17Å; E40-I44 PolarHBondContact O-N 3.02Å; E41-I44 PolarHBondContact O-N 3.41Å; I44-Q48 WeakPolarHBondContact O-CB 3.31Å; I44-Q48 PolarHBondContact O-N 2.86Å; I44-M62 HydrophobicContact CD1-CE 4.13Å; I44-M62 HydrophobicContact CD1-SD 4.37Å; I44-M62 HydrophobicContact CG1-CE 3.83Å; I44-M62 HydrophobicContact CG1-SD 3.55Å; I44-M62 VanDerWaalsContact CG1-SD 3.55Å; I44-I70 HydrophobicContact CD1-CG1 4.26Å; I44-I70 HydrophobicContact CD1-CG2 4.35Å; I44-I70 HydrophobicContact CG1-CG1 4.39Å; I44-I70 HydrophobicContact CG1-CG2 4.1Å; I44-I70 HydrophobicContact CG2-CG2 3.88Å; I44-Y73 HydrophobicContact CB-CD1 4.42Å; I44-Y73 HydrophobicContact CD1-CD1 3.7Å; I44-Y73 HydrophobicContact CD1-CE1 4.24Å; I44-Y73 HydrophobicContact CD1-CG 4.23Å; I44-Y73 HydrophobicContact CG2-CD1 4.02Å; I44-Y73 HydrophobicContact CG2-CE1 4.37Å |
| 45 | V | 94.5 | Very high | 94.5 | Very high | 35 Ų | 35 | 75.4 Ų | 75.4 | 21% | 0.212 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.2 | -43.1 | -179 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | E41 R43 K49 W74 L77 | E41-V45 WeakPolarHBondContact O-CG2 3.13Å; E41-V45 PolarHBondContact O-N 3.48Å; R43-V45 VanDerWaalsContact C-N 3.35Å; R43-V45 PolarHBondContact O-N 3.03Å; V45-K49 VanDerWaalsContact O-CG 3.3Å; V45-K49 WeakPolarHBondContact O-CG 3.1Å; V45-K49 PolarHBondContact O-N 3.01Å; V45-W74 HydrophobicContact CG2-CZ3 4.46Å; V45-L77 HydrophobicContact CG2-CD1 4.31Å |
| 46 | S | 95.7 | Very high | 94.7 | Very high | 66 Ų | 66 | 75 Ų | 75 | 46% | 0.462 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.7 | -44.6 | 178.4 | 53.8 | 0 | 0 | 0 | 0 | 112.3 | D42 R43 K49 L50 | D42-S46 WeakPolarHBondContact O-CB 3.16Å; D42-S46 PolarHBondContact O-N 2.96Å; D42-S46 PolarHBondContact O-OG 3.46Å; R43-S46 WeakPolarHBondContact CA-OG 3.3Å; R43-S46 PolarHBondContact O-N 3.42Å; R43-S46 PolarHBondContact O-OG 3.19Å; S46-K49 PolarHBondContact O-N 3.06Å; S46-L50 PolarHBondContact O-N 2.99Å |
| 47 | L | 95.8 | Very high | 94.8 | Very high | 22 Ų | 22 | 74.6 Ų | 74.6 | 12% | 0.115 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -69 | -37 | 178.2 | -69.8 | 173.1 | 0 | 0 | 0 | 112.5 | R43 K49 L50 L51 I58 R61 | R43-L47 VanDerWaalsContact O-CB 3.26Å; R43-L47 WeakPolarHBondContact O-CB 3.39Å; R43-L47 VanDerWaalsContact O-CG 3.25Å; R43-L47 WeakPolarHBondContact O-CG 3.45Å; R43-L47 PolarHBondContact O-N 3.38Å; L47-K49 VanDerWaalsContact C-N 3.32Å; L47-K49 PolarHBondContact O-N 3.29Å; L47-L50 PolarHBondContact O-N 3.39Å; L47-L51 HydrophobicContact CD2-CD1 4.49Å; L47-L51 WeakPolarHBondContact O-CB 3.31Å; L47-L51 PolarHBondContact O-N 3.38Å; L47-I58 HydrophobicContact CB-CD1 4.44Å; L47-I58 HydrophobicContact CB-CG1 4.15Å; L47-I58 HydrophobicContact CB-CG2 3.92Å; L47-I58 HydrophobicContact CD1-CG2 3.82Å; L47-R61 HydrophobicContact CD1-CB 3.97Å |
| 48 | Q | 95.6 | Very high | 94.9 | Very high | 30 Ų | 30 | 72.1 Ų | 72.1 | 14% | 0.14 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 175.9 | -168.1 | -76.6 | -19.2 | 0 | 0 | 111.2 | I44 L50 G52 N53 W55 I58 W74 | I44-Q48 WeakPolarHBondContact O-CB 3.31Å; I44-Q48 PolarHBondContact O-N 2.86Å; Q48-L50 VanDerWaalsContact C-N 3.29Å; Q48-L50 PolarHBondContact O-N 2.79Å; Q48-G52 WeakPolarHBondContact O-CA 3.43Å; Q48-G52 PolarHBondContact O-N 3.18Å; Q48-N53 PolarHBondContact NE2-OD1 3.36Å; Q48-W55 HydrophobicContact CG-CH2 4.2Å; Q48-W55 HydrophobicContact CG-CZ3 4.29Å; Q48-I58 HydrophobicContact CB-CD1 4.17Å; Q48-W74 HydrophobicContact CB-CE3 4.3Å; Q48-W74 HydrophobicContact CB-CH2 4.28Å; Q48-W74 HydrophobicContact CB-CZ3 4.01Å; Q48-W74 HydrophobicContact CG-CD2 4.03Å; Q48-W74 HydrophobicContact CG-CE3 3.97Å; Q48-W74 HydrophobicContact CG-CH2 3.78Å; Q48-W74 HydrophobicContact CG-CZ2 3.83Å; Q48-W74 HydrophobicContact CG-CZ3 3.83Å; Q48-W74 VanDerWaalsContact NE2-CZ2 3.34Å |
| 49 | K | 94.3 | Very high | 95 | Very high | 167 Ų | 167 | 63.6 Ų | 63.6 | 73% | 0.726 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62 | -36.7 | 173 | -74.4 | 172.8 | 179.5 | -178.7 | 0 | 112.5 | V45 S46 L47 | V45-K49 VanDerWaalsContact O-CG 3.3Å; V45-K49 WeakPolarHBondContact O-CG 3.1Å; V45-K49 PolarHBondContact O-N 3.01Å; S46-K49 PolarHBondContact O-N 3.06Å; L47-K49 VanDerWaalsContact C-N 3.32Å; L47-K49 PolarHBondContact O-N 3.29Å |
| 50 | L | 95.5 | Very high | 95 | Very high | 121 Ų | 121 | 60.2 Ų | 60.2 | 63% | 0.634 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -82.5 | -42.5 | -177.5 | -177.4 | 63.5 | 0 | 0 | 0 | 113.3 | S46 L47 Q48 | S46-L50 PolarHBondContact O-N 2.99Å; L47-L50 PolarHBondContact O-N 3.39Å; Q48-L50 VanDerWaalsContact C-N 3.29Å; Q48-L50 PolarHBondContact O-N 2.79Å |
| 51 | L | 94.9 | Very high | 94.9 | Very high | 26 Ų | 26 | 65.7 Ų | 65.7 | 14% | 0.136 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -106 | -12.8 | -170.1 | -60.2 | 177.6 | 0 | 0 | 0 | 113.5 | L47 R54 A57 I58 | L47-L51 HydrophobicContact CD2-CD1 4.49Å; L47-L51 WeakPolarHBondContact O-CB 3.31Å; L47-L51 PolarHBondContact O-N 3.38Å; L51-R54 PolarHBondContact O-NE 2.84Å; L51-A57 HydrophobicContact CD1-CB 4.3Å; L51-I58 HydrophobicContact CD1-CG1 4.23Å |
| 52 | G | 93.9 | Very high | 94.8 | Very high | 27 Ų | 27 | 62.8 Ų | 62.8 | 28% | 0.278 | 33% | 0.328 | S | S | . | . | trans | 71.9 | -151.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q48 R54 | Q48-G52 WeakPolarHBondContact O-CA 3.43Å; Q48-G52 PolarHBondContact O-N 3.18Å; G52-R54 PolarHBondContact O-N 3.1Å | ||
| 53 | N | 94.9 | Very high | 94.6 | Very high | 101 Ų | 101 | 63.4 Ų | 63.4 | 54% | 0.54 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -81.3 | 32.9 | -177.6 | -60.9 | -18.4 | 0 | 0 | 0 | 113.1 | Q48 W55 | Q48-N53 PolarHBondContact NE2-OD1 3.36Å; N53-W55 HydrophobicContact CB-CH2 4.39Å; N53-W55 HydrophobicContact CB-CZ2 3.71Å; N53-W55 PolarHBondContact O-N 3.16Å; N53-W55 PolarHBondContact O-NE1 3.45Å |
| 54 | R | 95.6 | Very high | 94.4 | Very high | 156 Ų | 156 | 59.9 Ų | 59.9 | 59% | 0.589 | 33% | 0.332 | S | S | * | . | trans | -83.2 | 68 | 177.4 | -70.5 | -169.3 | -83.8 | -178.1 | -6.9 | 110.1 | L51 G52 S56 A57 I58 | L51-R54 PolarHBondContact O-NE 2.84Å; G52-R54 PolarHBondContact O-N 3.1Å; R54-S56 VanDerWaalsContact C-N 3.34Å; R54-S56 PolarHBondContact O-N 2.97Å; R54-A57 HydrophobicContact CB-CB 4.03Å; R54-A57 WeakPolarHBondContact O-CA 3.26Å; R54-A57 WeakPolarHBondContact O-CB 3.29Å; R54-A57 PolarHBondContact O-N 3.19Å; R54-I58 PolarHBondContact O-N 3.32Å; R54-I58 VanDerWaalsContact O-N 3.09Å | ||
| 55 | W | 96.6 | Very high | 94.3 | Very high | 38 Ų | 38 | 60.7 Ų | 60.7 | 14% | 0.144 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -53.8 | -44.8 | -169.6 | -53.9 | 120.2 | 0 | 0 | 0 | 113.9 | Q48 N53 A57 I58 A59 D67 I70 K71 W74 | Q48-W55 HydrophobicContact CG-CH2 4.2Å; Q48-W55 HydrophobicContact CG-CZ3 4.29Å; N53-W55 HydrophobicContact CB-CH2 4.39Å; N53-W55 HydrophobicContact CB-CZ2 3.71Å; N53-W55 PolarHBondContact O-N 3.16Å; N53-W55 PolarHBondContact O-NE1 3.45Å; W55-A57 VanDerWaalsContact C-N 3.27Å; W55-A57 PolarHBondContact O-N 2.88Å; W55-I58 HydrophobicContact CE3-CD1 4.02Å; W55-I58 HydrophobicContact CZ3-CD1 4.09Å; W55-I58 PolarHBondContact O-N 3.48Å; W55-I58 VanDerWaalsContact O-N 3.11Å; W55-A59 WeakPolarHBondContact O-CB 3.49Å; W55-A59 PolarHBondContact O-N 3.44Å; W55-D67 HydrophobicContact CB-CB 3.75Å; W55-I70 HydrophobicContact CE3-CB 4.48Å; W55-I70 HydrophobicContact CE3-CG2 3.64Å; W55-I70 HydrophobicContact CZ3-CG2 3.93Å; W55-K71 HydrophobicContact CD2-CB 3.9Å; W55-K71 HydrophobicContact CD2-CG 4.43Å; W55-K71 HydrophobicContact CE3-CB 4.47Å; W55-K71 HydrophobicContact CG-CB 3.96Å; W55-K71 HydrophobicContact CG-CG 4.46Å; W55-W74 HydrophobicContact CH2-CB 3.65Å; W55-W74 AromaticContact CH2-CD1 3.41Å; W55-W74 VanDerWaalsContact CH2-CD1 3.41Å; W55-W74 HydrophobicContact CH2-CD2 4.13Å; W55-W74 AromaticContact CH2-CG 3.45Å; W55-W74 HydrophobicContact CH2-CG 3.45Å; W55-W74 VanDerWaalsContact CH2-CG 3.45Å; W55-W74 AromaticContact CH2-NE1 3.96Å; W55-W74 HydrophobicContact CZ2-CB 4.47Å; W55-W74 AromaticContact CZ2-CD1 3.87Å; W55-W74 HydrophobicContact CZ2-CG 4.29Å; W55-W74 HydrophobicContact CZ3-CB 4.01Å; W55-W74 HydrophobicContact CZ3-CG 4.16Å |
| 56 | S | 94.5 | Very high | 94.3 | Very high | 82 Ų | 82 | 59.8 Ų | 59.8 | 57% | 0.573 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.8 | -34.4 | 177.5 | -41 | 0 | 0 | 0 | 0 | 112.5 | R54 A60 | R54-S56 VanDerWaalsContact C-N 3.34Å; R54-S56 PolarHBondContact O-N 2.97Å; S56-A60 PolarHBondContact O-N 3.17Å |
| 57 | A | 95.2 | Very high | 94.3 | Very high | 22 Ų | 22 | 59.2 Ų | 59.2 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -74.2 | -30.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L51 R54 W55 | L51-A57 HydrophobicContact CD1-CB 4.3Å; R54-A57 HydrophobicContact CB-CB 4.03Å; R54-A57 WeakPolarHBondContact O-CA 3.26Å; R54-A57 WeakPolarHBondContact O-CB 3.29Å; R54-A57 PolarHBondContact O-N 3.19Å; W55-A57 VanDerWaalsContact C-N 3.27Å; W55-A57 PolarHBondContact O-N 2.88Å |
| 58 | I | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72 | -46.3 | 172.5 | -58.2 | 177.9 | 0 | 0 | 0 | 109.7 | L47 Q48 L51 R54 W55 A60 R61 M62 I70 | L47-I58 HydrophobicContact CB-CD1 4.44Å; L47-I58 HydrophobicContact CB-CG1 4.15Å; L47-I58 HydrophobicContact CB-CG2 3.92Å; L47-I58 HydrophobicContact CD1-CG2 3.82Å; Q48-I58 HydrophobicContact CB-CD1 4.17Å; L51-I58 HydrophobicContact CD1-CG1 4.23Å; R54-I58 PolarHBondContact O-N 3.32Å; R54-I58 VanDerWaalsContact O-N 3.09Å; W55-I58 HydrophobicContact CE3-CD1 4.02Å; W55-I58 HydrophobicContact CZ3-CD1 4.09Å; W55-I58 PolarHBondContact O-N 3.48Å; W55-I58 VanDerWaalsContact O-N 3.11Å; I58-A60 VanDerWaalsContact C-N 3.27Å; I58-A60 PolarHBondContact O-N 3.46Å; I58-R61 WeakPolarHBondContact O-CB 3.33Å; I58-R61 PolarHBondContact O-N 2.9Å; I58-M62 HydrophobicContact CG2-SD 4.21Å; I58-I70 HydrophobicContact CB-CD1 4.41Å; I58-I70 HydrophobicContact CB-CG2 4.48Å; I58-I70 HydrophobicContact CG2-CD1 4.01Å; I58-I70 HydrophobicContact CG2-CG2 4.01Å |
| 59 | A | 94.5 | Very high | 94.2 | Very high | 16 Ų | 16 | 60.1 Ų | 60.1 | 13% | 0.132 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.1 | -39.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W55 R61 M62 D67 I70 | W55-A59 WeakPolarHBondContact O-CB 3.49Å; W55-A59 PolarHBondContact O-N 3.44Å; A59-R61 PolarHBondContact O-N 2.8Å; A59-M62 CarbonylContact O-C 3.5Å; A59-M62 PolarHBondContact O-N 2.94Å; A59-M62 VanDerWaalsContact O-O 3.12Å; A59-D67 HydrophobicContact CB-CB 4.15Å; A59-I70 VanDerWaalsContact CA-CD1 3.47Å; A59-I70 HydrophobicContact CB-CD1 3.8Å |
| 60 | A | 93.5 | Very high | 94.2 | Very high | 72 Ų | 72 | 52.2 Ų | 52.2 | 60% | 0.595 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -20.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | S56 I58 | S56-A60 PolarHBondContact O-N 3.17Å; I58-A60 VanDerWaalsContact C-N 3.27Å; I58-A60 PolarHBondContact O-N 3.46Å |
| 61 | R | 93.4 | Very high | 94.2 | Very high | 136 Ų | 136 | 49.4 Ų | 49.4 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 1 | 177.8 | -58.9 | 176.9 | -178.6 | -144.9 | -2.5 | 113.1 | L47 I58 A59 | L47-R61 HydrophobicContact CD1-CB 3.97Å; I58-R61 WeakPolarHBondContact O-CB 3.33Å; I58-R61 PolarHBondContact O-N 2.9Å; A59-R61 PolarHBondContact O-N 2.8Å |
| 62 | M | 91.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -127.1 | 88 | -176.8 | -65.3 | -170.7 | 63.9 | 0 | 0 | 108.9 | E40 R43 I44 I58 A59 G64 R65 I70 | E40-M62 HydrophobicContact CB-CE 3.61Å; E40-M62 HydrophobicContact CG-CE 3.9Å; R43-M62 HydrophobicContact CB-SD 4.44Å; I44-M62 HydrophobicContact CD1-CE 4.13Å; I44-M62 HydrophobicContact CD1-SD 4.37Å; I44-M62 HydrophobicContact CG1-CE 3.83Å; I44-M62 HydrophobicContact CG1-SD 3.55Å; I44-M62 VanDerWaalsContact CG1-SD 3.55Å; I58-M62 HydrophobicContact CG2-SD 4.21Å; A59-M62 CarbonylContact O-C 3.5Å; A59-M62 PolarHBondContact O-N 2.94Å; A59-M62 VanDerWaalsContact O-O 3.12Å; M62-G64 PolarHBondContact O-N 3.43Å; M62-R65 HydrophobicContact CB-CB 3.92Å; M62-R65 HydrophobicContact CB-CG 4.29Å; M62-R65 HydrophobicContact CE-CG 4.18Å; M62-R65 PolarHBondContact O-N 3.42Å; M62-R65 VanDerWaalsContact O-N 3.08Å; M62-I70 HydrophobicContact SD-CD1 4.06Å; M62-I70 HydrophobicContact SD-CG1 4.43Å |
| 63 | P | 89.7 | Confident | 94.2 | Very high | 113 Ų | 113 | 52.3 Ų | 52.3 | 73% | 0.734 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 136.9 | -178.3 | 26.2 | -34.2 | 0 | 0 | 0 | 110.1 | R65 | P63-R65 VanDerWaalsContact C-N 3.25Å; P63-R65 PolarHBondContact O-N 2.95Å |
| 64 | G | 91.6 | Very high | 94.2 | Very high | 25 Ų | 25 | 48.9 Ų | 48.9 | 26% | 0.258 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 6.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | D30 S32 M62 | D30-G64 VanDerWaalsContact O-CA 3.27Å; D30-G64 WeakPolarHBondContact O-CA 3.35Å; S32-G64 WeakPolarHBondContact CB-O 3.31Å; S32-G64 PolarHBondContact N-O 3.22Å; S32-G64 PolarHBondContact OG-O 3.08Å; M62-G64 PolarHBondContact O-N 3.43Å |
| 65 | R | 93.8 | Very high | 94.1 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 6% | 0.064 | 25% | 0.251 | C | S | . | . | trans | -115.5 | 135.2 | 173.1 | -64.1 | -64.2 | -174.8 | -170.5 | -4 | 111.7 | S32 E34 P35 E40 M62 P63 E69 I70 | S32-R65 WeakPolarHBondContact OG-CD 3.43Å; S32-R65 PolarHBondContact OG-NE 2.89Å; S32-R65 PolarHBondContact OG-NH1 3.31Å; E34-R65 VanDerWaalsContact O-CZ 3.31Å; E34-R65 PolarHBondContact O-NH1 2.84Å; E34-R65 PolarHBondContact O-NH2 3.32Å; P35-R65 PolarHBondContact O-NH2 2.85Å; E40-R65 WeakPolarHBondContact OE1-CG 3.33Å; E40-R65 IonicContact OE1-CZ 2.92Å; E40-R65 IonicContact OE1-NE 3.51Å; E40-R65 PolarHBondContact OE1-NE 3.01Å; E40-R65 IonicContact OE1-NH2 3.08Å; E40-R65 IonicContact OE2-CZ 3.65Å; E40-R65 IonicContact OE2-NE 2.82Å; E40-R65 PolarHBondContact OE2-NE 3.45Å; E40-R65 IonicContact OE2-NH2 3.59Å; E40-R65 PolarHBondContact OE2-NH2 2.89Å; M62-R65 HydrophobicContact CB-CB 3.92Å; M62-R65 HydrophobicContact CB-CG 4.29Å; M62-R65 HydrophobicContact CE-CG 4.18Å; M62-R65 PolarHBondContact O-N 3.42Å; M62-R65 VanDerWaalsContact O-N 3.08Å; P63-R65 VanDerWaalsContact C-N 3.25Å; P63-R65 PolarHBondContact O-N 2.95Å; R65-E69 IonicContact CZ-OE1 3.74Å; R65-E69 IonicContact NH1-OE1 2.81Å; R65-E69 PolarHBondContact NH1-OE1 3.11Å; R65-I70 HydrophobicContact CB-CD1 4.34Å; R65-I70 HydrophobicContact CB-CG1 4.46Å | ||
| 66 | T | 95 | Very high | 93.8 | Very high | 16 Ų | 16 | 45.9 Ų | 45.9 | 10% | 0.098 | 26% | 0.264 | C | S | . | . | trans | -88.6 | 157.3 | 177.1 | 58.1 | 0 | 0 | 0 | 0 | 111.8 | M24 L31 N68 E69 I70 | M24-T66 WeakPolarHBondContact O-CG2 3.25Å; L31-T66 HydrophobicContact CD1-CG2 3.33Å; L31-T66 HydrophobicContact CD2-CG2 4.45Å; T66-N68 PolarHBondContact O-N 2.96Å; T66-E69 PolarHBondContact N-OE2 3.06Å; T66-E69 PolarHBondContact O-N 3.43Å; T66-E69 VanDerWaalsContact OG1-CG 3.25Å; T66-E69 WeakPolarHBondContact OG1-CG 3.38Å; T66-E69 PolarHBondContact OG1-N 3.23Å; T66-E69 PolarHBondContact OG1-OE2 3.25Å; T66-I70 WeakPolarHBondContact O-CD1 3.26Å; T66-I70 WeakPolarHBondContact O-CG1 3.47Å; T66-I70 PolarHBondContact O-N 3.09Å | ||
| 67 | D | 94.9 | Very high | 93.5 | Very high | 54 Ų | 54 | 43.1 Ų | 43.1 | 29% | 0.289 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60 | -33 | 171.9 | 73.5 | -47.9 | 0 | 0 | 0 | 111.4 | W55 A59 K71 | W55-D67 HydrophobicContact CB-CB 3.75Å; A59-D67 HydrophobicContact CB-CB 4.15Å; D67-K71 WeakPolarHBondContact O-CB 3.38Å; D67-K71 PolarHBondContact O-N 2.94Å |
| 68 | N | 94.5 | Very high | 93 | Very high | 32 Ų | 32 | 44.8 Ų | 44.8 | 17% | 0.171 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.7 | -46.8 | 176.8 | -168.5 | 60.3 | 0 | 0 | 0 | 112.6 | N25 T66 K71 N72 | N25-N68 VanDerWaalsContact OD1-CB 3.26Å; N25-N68 WeakPolarHBondContact OD1-CB 3.38Å; T66-N68 PolarHBondContact O-N 2.96Å; N68-K71 PolarHBondContact O-N 2.94Å; N68-K71 WeakPolarHBondContact OD1-CE 3.4Å; N68-K71 PolarHBondContact OD1-NZ 2.95Å; N68-N72 PolarHBondContact ND2-ND2 2.84Å; N68-N72 VanDerWaalsContact O-CB 3.31Å; N68-N72 WeakPolarHBondContact O-CB 3.24Å; N68-N72 PolarHBondContact O-N 3.31Å; N68-N72 PolarHBondContact O-ND2 3.1Å; N68-N72 PolarHBondContact O-OD1 3.15Å |
| 69 | E | 94.5 | Very high | 92.1 | Very high | 40 Ų | 40 | 51.3 Ų | 51.3 | 19% | 0.187 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 175.6 | -74.6 | 167.4 | 100.8 | 0 | 0 | 111.7 | R65 T66 K71 N72 Y73 | R65-E69 IonicContact CZ-OE1 3.74Å; R65-E69 IonicContact NH1-OE1 2.81Å; R65-E69 PolarHBondContact NH1-OE1 3.11Å; T66-E69 PolarHBondContact N-OE2 3.06Å; T66-E69 PolarHBondContact O-N 3.43Å; T66-E69 VanDerWaalsContact OG1-CG 3.25Å; T66-E69 WeakPolarHBondContact OG1-CG 3.38Å; T66-E69 PolarHBondContact OG1-N 3.23Å; T66-E69 PolarHBondContact OG1-OE2 3.25Å; E69-K71 PolarHBondContact O-N 2.94Å; E69-N72 PolarHBondContact O-N 2.86Å; E69-N72 VanDerWaalsContact O-N 3.16Å; E69-Y73 WeakPolarHBondContact O-CB 3.32Å; E69-Y73 PolarHBondContact O-N 3.28Å |
| 70 | I | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.2 | -45.5 | -178.9 | -64.9 | 165.2 | 0 | 0 | 0 | 110.5 | I44 W55 I58 A59 M62 R65 T66 N72 Y73 W74 | I44-I70 HydrophobicContact CD1-CG1 4.26Å; I44-I70 HydrophobicContact CD1-CG2 4.35Å; I44-I70 HydrophobicContact CG1-CG1 4.39Å; I44-I70 HydrophobicContact CG1-CG2 4.1Å; I44-I70 HydrophobicContact CG2-CG2 3.88Å; W55-I70 HydrophobicContact CE3-CB 4.48Å; W55-I70 HydrophobicContact CE3-CG2 3.64Å; W55-I70 HydrophobicContact CZ3-CG2 3.93Å; I58-I70 HydrophobicContact CB-CD1 4.41Å; I58-I70 HydrophobicContact CB-CG2 4.48Å; I58-I70 HydrophobicContact CG2-CD1 4.01Å; I58-I70 HydrophobicContact CG2-CG2 4.01Å; A59-I70 VanDerWaalsContact CA-CD1 3.47Å; A59-I70 HydrophobicContact CB-CD1 3.8Å; M62-I70 HydrophobicContact SD-CD1 4.06Å; M62-I70 HydrophobicContact SD-CG1 4.43Å; R65-I70 HydrophobicContact CB-CD1 4.34Å; R65-I70 HydrophobicContact CB-CG1 4.46Å; T66-I70 WeakPolarHBondContact O-CD1 3.26Å; T66-I70 WeakPolarHBondContact O-CG1 3.47Å; T66-I70 PolarHBondContact O-N 3.09Å; I70-N72 VanDerWaalsContact C-N 3.34Å; I70-N72 PolarHBondContact O-N 2.82Å; I70-Y73 PolarHBondContact O-N 3.08Å; I70-W74 WeakPolarHBondContact O-CB 3.47Å; I70-W74 PolarHBondContact O-N 2.78Å |
| 71 | K | 95 | Very high | 90.6 | Very high | 63 Ų | 63 | 59.6 Ų | 59.6 | 27% | 0.274 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 174.6 | 177.5 | -175.8 | 70.7 | -150.2 | 0 | 111.4 | W55 D67 N68 E69 W74 N75 | W55-K71 HydrophobicContact CD2-CB 3.9Å; W55-K71 HydrophobicContact CD2-CG 4.43Å; W55-K71 HydrophobicContact CE3-CB 4.47Å; W55-K71 HydrophobicContact CG-CB 3.96Å; W55-K71 HydrophobicContact CG-CG 4.46Å; D67-K71 WeakPolarHBondContact O-CB 3.38Å; D67-K71 PolarHBondContact O-N 2.94Å; N68-K71 PolarHBondContact O-N 2.94Å; N68-K71 WeakPolarHBondContact OD1-CE 3.4Å; N68-K71 PolarHBondContact OD1-NZ 2.95Å; E69-K71 PolarHBondContact O-N 2.94Å; K71-W74 PolarHBondContact O-N 2.68Å; K71-N75 WeakPolarHBondContact O-CB 3.37Å; K71-N75 VanDerWaalsContact O-CG 3.27Å; K71-N75 PolarHBondContact O-N 3.45Å; K71-N75 PolarHBondContact O-ND2 3.04Å |
| 72 | N | 94.6 | Very high | 89.4 | Confident | 75 Ų | 75 | 59.7 Ų | 59.7 | 40% | 0.401 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 179.1 | -73.3 | -15.3 | 0 | 0 | 0 | 112 | N68 E69 I70 N75 S76 | N68-N72 PolarHBondContact ND2-ND2 2.84Å; N68-N72 VanDerWaalsContact O-CB 3.31Å; N68-N72 WeakPolarHBondContact O-CB 3.24Å; N68-N72 PolarHBondContact O-N 3.31Å; N68-N72 PolarHBondContact O-ND2 3.1Å; N68-N72 PolarHBondContact O-OD1 3.15Å; E69-N72 PolarHBondContact O-N 2.86Å; E69-N72 VanDerWaalsContact O-N 3.16Å; I70-N72 VanDerWaalsContact C-N 3.34Å; I70-N72 PolarHBondContact O-N 2.82Å; N72-N75 PolarHBondContact O-N 3.06Å; N72-S76 WeakPolarHBondContact O-CB 3.25Å; N72-S76 PolarHBondContact O-N 3.19Å; N72-S76 PolarHBondContact O-OG 3.43Å |
| 73 | Y | 94.1 | Very high | 88.5 | Confident | 38 Ų | 38 | 66.5 Ų | 66.5 | 15% | 0.149 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 175.2 | 175.9 | -100.1 | 0 | 0 | 0 | 111.7 | I36 E41 I44 E69 I70 N75 S76 L77 | I36-Y73 HydrophobicContact CB-CD2 4.29Å; I36-Y73 VanDerWaalsContact CD1-CB 3.44Å; I36-Y73 HydrophobicContact CD1-CD1 4.47Å; I36-Y73 HydrophobicContact CD1-CD2 3.95Å; I36-Y73 HydrophobicContact CD1-CG 3.69Å; I36-Y73 HydrophobicContact CG2-CD2 4.4Å; E41-Y73 HydrophobicContact CB-CE1 4.19Å; E41-Y73 VanDerWaalsContact CB-OH 3.31Å; E41-Y73 WeakPolarHBondContact CB-OH 3.47Å; E41-Y73 HydrophobicContact CG-CE1 4.15Å; E41-Y73 HydrophobicContact CG-CE2 3.75Å; E41-Y73 WeakPolarHBondContact CG-OH 3.35Å; E41-Y73 PolarHBondContact OE1-OH 3.26Å; E41-Y73 PolarHBondContact OE2-OH 3.47Å; E41-Y73 VanDerWaalsContact OE2-OH 3.1Å; I44-Y73 HydrophobicContact CB-CD1 4.42Å; I44-Y73 HydrophobicContact CD1-CD1 3.7Å; I44-Y73 HydrophobicContact CD1-CE1 4.24Å; I44-Y73 HydrophobicContact CD1-CG 4.23Å; I44-Y73 HydrophobicContact CG2-CD1 4.02Å; I44-Y73 HydrophobicContact CG2-CE1 4.37Å; E69-Y73 WeakPolarHBondContact O-CB 3.32Å; E69-Y73 PolarHBondContact O-N 3.28Å; I70-Y73 PolarHBondContact O-N 3.08Å; Y73-N75 PolarHBondContact O-N 3.43Å; Y73-S76 CarbonylContact O-C 3.6Å; Y73-S76 WeakPolarHBondContact O-CB 3.35Å; Y73-S76 PolarHBondContact O-N 2.95Å; Y73-S76 VanDerWaalsContact O-N 3.1Å; Y73-L77 HydrophobicContact CE1-CD1 3.89Å; Y73-L77 WeakPolarHBondContact O-CB 3.28Å; Y73-L77 PolarHBondContact O-N 2.75Å; Y73-L77 WeakPolarHBondContact OH-CD1 3.43Å |
| 74 | W | 94.9 | Very high | 87.6 | Confident | 29 Ų | 29 | 68.3 Ų | 68.3 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 178.6 | -177.4 | -103.8 | 0 | 0 | 0 | 112.5 | V45 Q48 W55 I70 K71 S76 L77 I78 | V45-W74 HydrophobicContact CG2-CZ3 4.46Å; Q48-W74 HydrophobicContact CB-CE3 4.3Å; Q48-W74 HydrophobicContact CB-CH2 4.28Å; Q48-W74 HydrophobicContact CB-CZ3 4.01Å; Q48-W74 HydrophobicContact CG-CD2 4.03Å; Q48-W74 HydrophobicContact CG-CE3 3.97Å; Q48-W74 HydrophobicContact CG-CH2 3.78Å; Q48-W74 HydrophobicContact CG-CZ2 3.83Å; Q48-W74 HydrophobicContact CG-CZ3 3.83Å; Q48-W74 VanDerWaalsContact NE2-CZ2 3.34Å; W55-W74 HydrophobicContact CH2-CB 3.65Å; W55-W74 AromaticContact CH2-CD1 3.41Å; W55-W74 VanDerWaalsContact CH2-CD1 3.41Å; W55-W74 HydrophobicContact CH2-CD2 4.13Å; W55-W74 AromaticContact CH2-CG 3.45Å; W55-W74 HydrophobicContact CH2-CG 3.45Å; W55-W74 VanDerWaalsContact CH2-CG 3.45Å; W55-W74 AromaticContact CH2-NE1 3.96Å; W55-W74 HydrophobicContact CZ2-CB 4.47Å; W55-W74 AromaticContact CZ2-CD1 3.87Å; W55-W74 HydrophobicContact CZ2-CG 4.29Å; W55-W74 HydrophobicContact CZ3-CB 4.01Å; W55-W74 HydrophobicContact CZ3-CG 4.16Å; I70-W74 WeakPolarHBondContact O-CB 3.47Å; I70-W74 PolarHBondContact O-N 2.78Å; K71-W74 PolarHBondContact O-N 2.68Å; W74-S76 VanDerWaalsContact C-N 3.27Å; W74-S76 PolarHBondContact O-N 3.42Å; W74-L77 PolarHBondContact O-N 2.74Å; W74-I78 VanDerWaalsContact CD1-CD1 3.5Å; W74-I78 HydrophobicContact CD2-CD1 4.47Å; W74-I78 HydrophobicContact CG-CD1 4.35Å; W74-I78 HydrophobicContact CZ2-CD1 4.29Å; W74-I78 WeakPolarHBondContact O-CG1 3.04Å; W74-I78 PolarHBondContact O-N 2.82Å |
| 75 | N | 93.2 | Very high | 86.3 | Confident | 71 Ų | 71 | 74.8 Ų | 74.8 | 38% | 0.38 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.7 | -39.1 | 175.7 | -74.9 | -27.7 | 0 | 0 | 0 | 111.8 | K71 N72 Y73 K79 | K71-N75 WeakPolarHBondContact O-CB 3.37Å; K71-N75 VanDerWaalsContact O-CG 3.27Å; K71-N75 PolarHBondContact O-N 3.45Å; K71-N75 PolarHBondContact O-ND2 3.04Å; N72-N75 PolarHBondContact O-N 3.06Å; Y73-N75 PolarHBondContact O-N 3.43Å; N75-K79 WeakPolarHBondContact O-CB 3.39Å; N75-K79 VanDerWaalsContact O-CG 3.25Å; N75-K79 WeakPolarHBondContact O-CG 3.44Å; N75-K79 PolarHBondContact O-N 3.17Å |
| 76 | S | 91.5 | Very high | 84.9 | Confident | 60 Ų | 60 | 79.7 Ų | 79.7 | 42% | 0.42 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.7 | -40.2 | 175.9 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | N72 Y73 W74 K79 K80 | N72-S76 WeakPolarHBondContact O-CB 3.25Å; N72-S76 PolarHBondContact O-N 3.19Å; N72-S76 PolarHBondContact O-OG 3.43Å; Y73-S76 CarbonylContact O-C 3.6Å; Y73-S76 WeakPolarHBondContact O-CB 3.35Å; Y73-S76 PolarHBondContact O-N 2.95Å; Y73-S76 VanDerWaalsContact O-N 3.1Å; W74-S76 VanDerWaalsContact C-N 3.27Å; W74-S76 PolarHBondContact O-N 3.42Å; S76-K79 PolarHBondContact O-N 3.14Å; S76-K80 WeakPolarHBondContact O-CG 3.39Å; S76-K80 PolarHBondContact O-N 3.43Å |
| 77 | L | 88.1 | Confident | 83.2 | Confident | 25 Ų | 25 | 86.2 Ų | 86.2 | 13% | 0.131 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 176.5 | -174.5 | 148.8 | 0 | 0 | 0 | 112.1 | V45 Y73 W74 K80 K81 | V45-L77 HydrophobicContact CG2-CD1 4.31Å; Y73-L77 HydrophobicContact CE1-CD1 3.89Å; Y73-L77 WeakPolarHBondContact O-CB 3.28Å; Y73-L77 PolarHBondContact O-N 2.75Å; Y73-L77 WeakPolarHBondContact OH-CD1 3.43Å; W74-L77 PolarHBondContact O-N 2.74Å; L77-K80 PolarHBondContact O-N 3.32Å; L77-K81 HydrophobicContact CD2-CD 3.88Å; L77-K81 HydrophobicContact CD2-CG 4.41Å; L77-K81 PolarHBondContact O-N 3.17Å |
| 78 | I | 83.1 | Confident | 81.5 | Confident | 57 Ų | 57 | 91.1 Ų | 91.1 | 29% | 0.292 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 173.7 | -70.1 | 173.8 | 0 | 0 | 0 | 110.4 | W74 K80 K81 K82 | W74-I78 VanDerWaalsContact CD1-CD1 3.5Å; W74-I78 HydrophobicContact CD2-CD1 4.47Å; W74-I78 HydrophobicContact CG-CD1 4.35Å; W74-I78 HydrophobicContact CZ2-CD1 4.29Å; W74-I78 WeakPolarHBondContact O-CG1 3.04Å; W74-I78 PolarHBondContact O-N 2.82Å; I78-K80 VanDerWaalsContact C-N 3.29Å; I78-K80 PolarHBondContact O-N 3.28Å; I78-K81 PolarHBondContact O-N 3.37Å; I78-K81 VanDerWaalsContact O-N 3.16Å; I78-K82 HydrophobicContact CG2-CD 4.25Å; I78-K82 HydrophobicContact CG2-CG 4.43Å; I78-K82 WeakPolarHBondContact O-CG 3.42Å; I78-K82 PolarHBondContact O-N 2.9Å |
| 79 | K | 77.6 | Confident | 79.7 | Confident | 137 Ų | 137 | 93.9 Ų | 93.9 | 60% | 0.596 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -57.9 | -42.8 | 176.6 | -74.8 | 173.2 | -179.3 | -177.9 | 0 | 111.1 | N75 S76 K82 K83 | N75-K79 WeakPolarHBondContact O-CB 3.39Å; N75-K79 VanDerWaalsContact O-CG 3.25Å; N75-K79 WeakPolarHBondContact O-CG 3.44Å; N75-K79 PolarHBondContact O-N 3.17Å; S76-K79 PolarHBondContact O-N 3.14Å; K79-K82 PolarHBondContact O-N 3.39Å; K79-K83 WeakPolarHBondContact O-CG 3.48Å; K79-K83 PolarHBondContact O-N 3.13Å |
| 80 | K | 80.1 | Confident | 78.1 | Confident | 140 Ų | 140 | 100.3 Ų | 100.3 | 61% | 0.609 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.1 | -43.6 | 174.7 | -73.2 | 177.8 | -179.8 | -179.8 | 0 | 112 | S76 L77 I78 K83 K84 | S76-K80 WeakPolarHBondContact O-CG 3.39Å; S76-K80 PolarHBondContact O-N 3.43Å; L77-K80 PolarHBondContact O-N 3.32Å; I78-K80 VanDerWaalsContact C-N 3.29Å; I78-K80 PolarHBondContact O-N 3.28Å; K80-K83 PolarHBondContact O-N 3.13Å; K80-K84 WeakPolarHBondContact O-CG 3.38Å; K80-K84 PolarHBondContact O-N 3.13Å |
| 81 | K | 75.2 | Confident | 76.2 | Confident | 121 Ų | 121 | 105.8 Ų | 105.8 | 53% | 0.526 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 177 | -75 | -179.4 | 174.6 | 174 | 0 | 112.8 | L77 I78 K84 K85 | L77-K81 HydrophobicContact CD2-CD 3.88Å; L77-K81 HydrophobicContact CD2-CG 4.41Å; L77-K81 PolarHBondContact O-N 3.17Å; I78-K81 PolarHBondContact O-N 3.37Å; I78-K81 VanDerWaalsContact O-N 3.16Å; K81-K84 PolarHBondContact O-N 2.96Å; K81-K85 PolarHBondContact O-N 3.32Å |
| 82 | K | 70.2 | Confident | 74.2 | Confident | 138 Ų | 138 | 109.8 Ų | 109.8 | 60% | 0.6 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.3 | -45.3 | 175.6 | -70.2 | -178.2 | 178.5 | -175.6 | 0 | 111.4 | I78 K79 K84 K85 L86 | I78-K82 HydrophobicContact CG2-CD 4.25Å; I78-K82 HydrophobicContact CG2-CG 4.43Å; I78-K82 WeakPolarHBondContact O-CG 3.42Å; I78-K82 PolarHBondContact O-N 2.9Å; K79-K82 PolarHBondContact O-N 3.39Å; K82-K84 VanDerWaalsContact C-N 3.34Å; K82-K84 PolarHBondContact O-N 3.08Å; K82-K85 PolarHBondContact O-N 2.93Å; K82-L86 WeakPolarHBondContact O-CD1 3.21Å; K82-L86 PolarHBondContact O-N 3.01Å |
| 83 | K | 71.9 | Confident | 71.8 | Confident | 146 Ų | 146 | 109.3 Ų | 109.3 | 64% | 0.635 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.1 | -38.3 | 176.6 | -71.5 | -177.3 | 179.1 | -172.8 | 0 | 113 | K79 K80 K85 L86 K87 | K79-K83 WeakPolarHBondContact O-CG 3.48Å; K79-K83 PolarHBondContact O-N 3.13Å; K80-K83 PolarHBondContact O-N 3.13Å; K83-K85 VanDerWaalsContact C-N 3.34Å; K83-K85 PolarHBondContact O-N 2.92Å; K83-L86 PolarHBondContact O-N 3.08Å; K83-K87 PolarHBondContact O-N 3.02Å; K83-K87 VanDerWaalsContact O-N 3.08Å |
| 84 | K | 70.1 | Confident | 69.1 | Low | 150 Ų | 150 | 110.8 Ų | 110.8 | 65% | 0.652 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.2 | -39.4 | 175.8 | -73.1 | -175.2 | 178.5 | -169.9 | 0 | 112.3 | K80 K81 K82 K87 Q88 | K80-K84 WeakPolarHBondContact O-CG 3.38Å; K80-K84 PolarHBondContact O-N 3.13Å; K81-K84 PolarHBondContact O-N 2.96Å; K82-K84 VanDerWaalsContact C-N 3.34Å; K82-K84 PolarHBondContact O-N 3.08Å; K84-K87 PolarHBondContact O-N 3.2Å; K84-Q88 WeakPolarHBondContact O-CG 3.49Å; K84-Q88 PolarHBondContact O-N 2.98Å; K84-Q88 VanDerWaalsContact O-N 3.13Å |
| 85 | K | 65.8 | Low | 66.5 | Low | 162 Ų | 162 | 113.3 Ų | 113.3 | 70% | 0.704 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.8 | -36.8 | 176.1 | -68.9 | -170.6 | 174.6 | -167.4 | 0 | 112.9 | K81 K82 K83 | K81-K85 PolarHBondContact O-N 3.32Å; K82-K85 PolarHBondContact O-N 2.93Å; K83-K85 VanDerWaalsContact C-N 3.34Å; K83-K85 PolarHBondContact O-N 2.92Å |
| 86 | L | 62.8 | Low | 63.8 | Low | 119 Ų | 119 | 114 Ų | 114 | 62% | 0.623 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.9 | -34.8 | 176.6 | -78 | 142.6 | 0 | 0 | 0 | 113 | K82 K83 S89 | K82-L86 WeakPolarHBondContact O-CD1 3.21Å; K82-L86 PolarHBondContact O-N 3.01Å; K83-L86 PolarHBondContact O-N 3.08Å; L86-S89 PolarHBondContact O-OG 2.94Å |
| 87 | K | 60.4 | Low | 61.4 | Low | 154 Ų | 154 | 113.2 Ų | 113.2 | 67% | 0.67 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.2 | -37 | 177 | -72.8 | -170.2 | 171.6 | -164.6 | 0 | 112.6 | K83 K84 S89 M90 D91 | K83-K87 PolarHBondContact O-N 3.02Å; K83-K87 VanDerWaalsContact O-N 3.08Å; K84-K87 PolarHBondContact O-N 3.2Å; K87-S89 PolarHBondContact O-N 2.87Å; K87-M90 PolarHBondContact O-N 2.74Å; K87-M90 VanDerWaalsContact O-N 3.11Å; K87-D91 PolarHBondContact O-N 2.9Å |
| 88 | Q | 57.8 | Low | 59.1 | Low | 157 Ų | 157 | 120 Ų | 120 | 73% | 0.734 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -66.6 | -22.4 | 178.7 | -75.5 | 178.3 | -20.5 | 0 | 0 | 113.5 | K84 M90 | K84-Q88 WeakPolarHBondContact O-CG 3.49Å; K84-Q88 PolarHBondContact O-N 2.98Å; K84-Q88 VanDerWaalsContact O-N 3.13Å; Q88-M90 VanDerWaalsContact C-N 3.34Å |
| 89 | S | 57.4 | Low | 57.2 | Low | 90 Ų | 90 | 126.5 Ų | 126.5 | 63% | 0.629 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -5 | 173.8 | 50.1 | 0 | 0 | 0 | 0 | 114.5 | L86 K87 | L86-S89 PolarHBondContact O-OG 2.94Å; K87-S89 PolarHBondContact O-N 2.87Å |
| 90 | M | 60.3 | Low | 56 | Low | 174 Ų | 174 | 127.9 Ų | 127.9 | 86% | 0.857 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.5 | -8.5 | -177.3 | -79.5 | -179.4 | 173.6 | 0 | 0 | 114.4 | K87 Q88 | K87-M90 PolarHBondContact O-N 2.74Å; K87-M90 VanDerWaalsContact O-N 3.11Å; Q88-M90 VanDerWaalsContact C-N 3.34Å |
| 91 | D | 55.4 | Low | 54.5 | Low | 116 Ų | 116 | 129.9 Ų | 129.9 | 62% | 0.62 | 71% | 0.713 | S | S | * | * | trans | -108.6 | 71.3 | -176.1 | -168.8 | 18.9 | 0 | 0 | 0 | 111.4 | K87 | K87-D91 PolarHBondContact O-N 2.9Š| ||
| 92 | T | 53.1 | Low | 52.9 | Low | 146 Ų | 146 | 127.8 Ų | 127.8 | 90% | 0.896 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -113.6 | 60.7 | 157.1 | -33.7 | 0 | 0 | 0 | 0 | 106.3 | ||
| 93 | G | 44 | Very low | 52.1 | Low | 65 Ų | 65 | 127.8 Ų | 127.8 | 67% | 0.67 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 170.2 | 77.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 94 | G | 39.1 | Very low | 51.1 | Low | 70 Ų | 70 | 126.9 Ų | 126.9 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | trans | 92.3 | 115.9 | 145 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 95 | G | 38.9 | Very low | 49.7 | Very low | 82 Ų | 82 | 122.3 Ų | 122.3 | 85% | 0.845 | 73% | 0.725 | S | S | * | * | 87.6 | 104.7 | 128 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 96 | G | 36.6 | Very low | 49.6 | Very low | 85 Ų | 85 | 121 Ų | 121 | 88% | 0.876 | 73% | 0.733 | S | S | * | * | 54.8 | 115.2 | 128.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 97 | G | 41.8 | Very low | 48.7 | Very low | 44 Ų | 44 | 123.6 Ų | 123.6 | 45% | 0.454 | 74% | 0.742 | S | S | . | * | trans | 170.8 | 103.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y99 | G97-Y99 VanDerWaalsContact O-CD2 3.22Å; G97-Y99 WeakPolarHBondContact O-CD2 3.27Å; G97-Y99 WeakPolarHBondContact O-CE2 3.46Å; G97-Y99 VanDerWaalsContact O-CZ 3.31Å; G97-Y99 PolarHBondContact O-N 2.89Å | ||
| 98 | D | 39.7 | Very low | 48.4 | Very low | 167 Ų | 167 | 121.9 Ų | 121.9 | 89% | 0.893 | 75% | 0.746 | S | S | * | * | trans | -48.6 | 125.7 | 165.7 | -74.9 | -70.4 | 0 | 0 | 0 | 111.7 | ||||
| 99 | Y | 43.6 | Very low | 47.9 | Very low | 193 Ų | 193 | 123 Ų | 123 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | trans | -119.5 | 84.9 | 167.1 | -43.6 | -74.2 | 0 | 0 | 0 | 108.9 | G97 Q101 | G97-Y99 VanDerWaalsContact O-CD2 3.22Å; G97-Y99 WeakPolarHBondContact O-CD2 3.27Å; G97-Y99 WeakPolarHBondContact O-CE2 3.46Å; G97-Y99 VanDerWaalsContact O-CZ 3.31Å; G97-Y99 PolarHBondContact O-N 2.89Å; Y99-Q101 VanDerWaalsContact C-N 3.3Å; Y99-Q101 PolarHBondContact O-N 3.15Å | ||
| 100 | H | 51.5 | Low | 47.8 | Very low | 167 Ų | 167 | 123.9 Ų | 123.9 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -64.7 | 93.4 | 157.4 | -174.4 | -94.9 | 0 | 0 | 0 | 107.7 | S102 | H100-S102 PolarHBondContact CE1-OG 3.42Å; H100-S102 PolarHBondContact ND1-OG 2.98Å; H100-S102 PolarHBondContact O-N 3.13Å | ||
| 101 | Q | 49.1 | Very low | 47.3 | Very low | 181 Ų | 181 | 123.5 Ų | 123.5 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | -85.6 | 74.8 | 176.4 | -161 | 118.7 | 66.2 | 0 | 0 | 109 | Y99 L103 | Y99-Q101 VanDerWaalsContact C-N 3.3Å; Y99-Q101 PolarHBondContact O-N 3.15Å; Q101-L103 PolarHBondContact O-N 2.99Å | ||
| 102 | S | 42.3 | Very low | 47.3 | Very low | 77 Ų | 77 | 124.6 Ų | 124.6 | 54% | 0.538 | 76% | 0.761 | S | S | . | * | trans | -51 | 125.4 | 156.8 | -64.1 | 0 | 0 | 0 | 0 | 108.2 | H100 | H100-S102 PolarHBondContact CE1-OG 3.42Å; H100-S102 PolarHBondContact ND1-OG 2.98Å; H100-S102 PolarHBondContact O-N 3.13Å | ||
| 103 | L | 52.8 | Low | 46.9 | Very low | 138 Ų | 138 | 124.6 Ų | 124.6 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | trans | -56.8 | 139.7 | 160.6 | -68 | 163 | 0 | 0 | 0 | 107.7 | Q101 G105 | Q101-L103 PolarHBondContact O-N 2.99Å; L103-G105 PolarHBondContact O-N 3.03Å | ||
| 104 | P | 51.6 | Low | 47.2 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | trans | -63 | 108.2 | 166.7 | 27.2 | -29.3 | 0 | 0 | 0 | 106.2 | ||||
| 105 | G | 40.4 | Very low | 47.8 | Very low | 54 Ų | 54 | 135.3 Ų | 135.3 | 56% | 0.557 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 154.5 | 165 | 0 | 0 | 0 | 0 | 0 | 108.9 | L103 E107 | L103-G105 PolarHBondContact O-N 3.03Å; G105-E107 PolarHBondContact O-N 2.81Å |
| 106 | P | 62.8 | Low | 48 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 116 | 170.8 | 24.7 | -31.6 | 0 | 0 | 0 | 107.8 | ||
| 107 | E | 45.2 | Very low | 48.5 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 133.2 | 169.7 | -172.5 | 176.7 | 167.1 | 0 | 0 | 108 | G105 E109 | G105-E107 PolarHBondContact O-N 2.81Å; E107-E109 PolarHBondContact O-N 2.72Å; E107-E109 VanDerWaalsContact O-N 3.15Å |
| 108 | P | 52.2 | Low | 49 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 120.1 | -179.4 | 24.6 | -32.3 | 0 | 0 | 0 | 109.5 | ||
| 109 | E | 48.2 | Very low | 49.4 | Very low | 181 Ų | 181 | 143.8 Ų | 143.8 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 137.8 | 170.1 | -68.5 | -104.2 | 148.9 | 0 | 0 | 109.2 | E107 E111 | E107-E109 PolarHBondContact O-N 2.72Å; E107-E109 VanDerWaalsContact O-N 3.15Å; E109-E111 PolarHBondContact O-N 3.19Å |
| 110 | P | 56.2 | Low | 49.5 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 124.9 | -166.6 | 26.3 | -34.2 | 0 | 0 | 0 | 112.1 | V112 | P110-V112 PolarHBondContact O-N 2.73Š|
| 111 | E | 48 | Very low | 49.5 | Very low | 165 Ų | 165 | 135.9 Ų | 135.9 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | trans | -58.3 | 107.9 | 167.1 | -68 | -173 | 149.1 | 0 | 0 | 109.9 | E109 H113 | E109-E111 PolarHBondContact O-N 3.19Å; E111-H113 VanDerWaalsContact C-N 3.28Å; E111-H113 PolarHBondContact O-N 2.92Å; E111-H113 IonicContact OE2-CD2 3.55Å; E111-H113 IonicContact OE2-NE2 3.38Å | ||
| 112 | V | 55.6 | Low | 49.6 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | -79.2 | 82.8 | 170.6 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | P110 | P110-V112 PolarHBondContact O-N 2.73Š| ||
| 113 | H | 45.5 | Very low | 49.9 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 68% | 0.681 | 78% | 0.782 | S | S | * | * | trans | -83.4 | 117.9 | 155.9 | -75.5 | -88.7 | 0 | 0 | 0 | 108.8 | E111 | E111-H113 VanDerWaalsContact C-N 3.28Å; E111-H113 PolarHBondContact O-N 2.92Å; E111-H113 IonicContact OE2-CD2 3.55Å; E111-H113 IonicContact OE2-NE2 3.38Å | ||
| 114 | R | 50.9 | Low | 49.4 | Very low | 225 Ų | 225 | 129.1 Ų | 129.1 | 85% | 0.849 | 78% | 0.778 | S | S | * | * | trans | -176.3 | 93 | 153.1 | -97.4 | 154.8 | -148.3 | -157.3 | 7.7 | 107.8 | ||||
| 115 | T | 51.1 | Low | 49.7 | Very low | 135 Ų | 135 | 131.1 Ų | 131.1 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | 58.9 | 118.4 | 100 | 60 | 0 | 0 | 0 | 0 | 114 | |||||
| 116 | A | 42.9 | Very low | 50.5 | Low | 99 Ų | 99 | 139.1 Ų | 139.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -57.2 | 166.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 117 | A | 48.1 | Very low | 50.1 | Low | 99 Ų | 99 | 138.7 Ų | 138.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 80.7 | 111.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 118 | H | 51.5 | Low | 50.7 | Low | 183 Ų | 183 | 136.2 Ų | 136.2 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | 178.2 | 135.4 | 88.6 | -170.9 | -98 | 0 | 0 | 0 | 109.6 | |||||
| 119 | E | 47.5 | Very low | 51 | Low | 175 Ų | 175 | 136.4 Ų | 136.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -70.8 | 159.8 | 179.5 | -55.3 | -179.7 | 169 | 0 | 0 | 111.4 | ||||
| 120 | G | 46.6 | Very low | 51.1 | Low | 73 Ų | 73 | 131.7 Ų | 131.7 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | 122 | 99.4 | 153.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 121 | S | 51.8 | Low | 51.2 | Low | 120 Ų | 120 | 133 Ų | 133 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | 74.9 | 115.9 | 115.5 | -148.8 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 122 | S | 49.8 | Very low | 51.5 | Low | 104 Ų | 104 | 129 Ų | 129 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | 84.6 | 107.2 | 124.9 | -176.7 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 123 | A | 48.6 | Very low | 51.5 | Low | 88 Ų | 88 | 129.2 Ų | 129.2 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | 67.6 | 114.5 | 129.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 124 | G | 44.2 | Very low | 51.9 | Low | 62 Ų | 62 | 130.3 Ų | 130.3 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | 118.6 | 142.7 | 111.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 125 | M | 56.8 | Low | 52.1 | Low | 170 Ų | 170 | 125.2 Ų | 125.2 | 84% | 0.837 | 78% | 0.784 | S | S | * | * | trans | 78 | 128 | 145.9 | -12.4 | -156.2 | 171.6 | 0 | 0 | 113.3 | ||||
| 126 | Y | 56.8 | Low | 51.9 | Low | 223 Ų | 223 | 125.4 Ų | 125.4 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | cis | -165.5 | 169.3 | 41.5 | 43.5 | -92.6 | 0 | 0 | 0 | 112 | ||||
| 127 | T | 53.9 | Low | 52.6 | Low | 124 Ų | 124 | 125.6 Ų | 125.6 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | -82.6 | 157 | -171.3 | 50.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 128 | T | 59.7 | Low | 52.5 | Low | 123 Ų | 123 | 129.9 Ų | 129.9 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | 177.8 | 115.3 | 124 | -111.5 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 129 | T | 57.5 | Low | 52.4 | Low | 122 Ų | 122 | 127.8 Ų | 127.8 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | 78.3 | 120 | 87.5 | -26.3 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 130 | G | 51.3 | Low | 52.2 | Low | 81 Ų | 81 | 129.8 Ų | 129.8 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | 177.7 | 90.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 131 | T | 56.7 | Low | 52.4 | Low | 136 Ų | 136 | 132.6 Ų | 132.6 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | -84.2 | 155.7 | -160.7 | -16.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 132 | G | 54.5 | Low | 52.3 | Low | 80 Ų | 80 | 133 Ų | 133 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | -173.4 | 84 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 133 | H | 55.2 | Low | 52.3 | Low | 145 Ų | 145 | 135.5 Ų | 135.5 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | trans | -93.9 | 137.7 | -177.1 | 176.1 | -90.2 | 0 | 0 | 0 | 111.1 | D135 | H133-D135 IonicContact CE1-OD2 3.36Å; H133-D135 PolarHBondContact CE1-OD2 3.26Å | ||
| 134 | I | 55.3 | Low | 51.9 | Low | 170 Ų | 170 | 135.4 Ų | 135.4 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | trans | -134.4 | 121.9 | 157.9 | 6.8 | 170.7 | 0 | 0 | 0 | 108.2 | ||||
| 135 | D | 53.6 | Low | 51.8 | Low | 117 Ų | 117 | 135.7 Ų | 135.7 | 63% | 0.626 | 79% | 0.785 | S | S | * | * | trans | -77.1 | 148 | -173.7 | -146.2 | -39.5 | 0 | 0 | 0 | 111.1 | H133 | H133-D135 IonicContact CE1-OD2 3.36Å; H133-D135 PolarHBondContact CE1-OD2 3.26Å | ||
| 136 | T | 47.3 | Very low | 51.3 | Low | 140 Ų | 140 | 133.8 Ų | 133.8 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -122.5 | 108.7 | 171.1 | 24.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 137 | S | 57.4 | Low | 51 | Low | 103 Ų | 103 | 129.1 Ų | 129.1 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | -133.6 | 119.6 | 166.5 | 59.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 138 | E | 46 | Very low | 50.5 | Low | 189 Ų | 189 | 127.6 Ų | 127.6 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | 1.2 | 137.4 | 155.3 | -60.8 | 179.9 | 97.7 | 0 | 0 | 118.8 | ||||
| 139 | V | 49.7 | Very low | 50.2 | Low | 138 Ų | 138 | 126.4 Ų | 126.4 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | -171.4 | 121.1 | 121.4 | 145.4 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 140 | R | 44.2 | Very low | 50.2 | Low | 218 Ų | 218 | 128.1 Ų | 128.1 | 82% | 0.823 | 77% | 0.773 | S | S | * | * | trans | 10.8 | 125.3 | 146.1 | -160.5 | 169.4 | -173.1 | 142.5 | -0.4 | 119.7 | ||||
| 141 | V | 50.2 | Low | 50.2 | Low | 132 Ų | 132 | 130.5 Ų | 130.5 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | -85.1 | 122.9 | 166.5 | 174.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 142 | E | 49.5 | Very low | 50 | Low | 129 Ų | 129 | 132.5 Ų | 132.5 | 60% | 0.603 | 77% | 0.773 | S | S | * | * | trans | -150.5 | 110.2 | 155.4 | -65 | -75.6 | 79.8 | 0 | 0 | 110 | ||||
| 143 | H | 50 | Low | 49.9 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | trans | 75.5 | 113.4 | 139.9 | -36.1 | -12.5 | 0 | 0 | 0 | 122.2 | ||||
| 144 | G | 41 | Very low | 49.9 | Very low | 86 Ų | 86 | 133.8 Ų | 133.8 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | 92.5 | 129.4 | 126.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 145 | G | 41.5 | Very low | 50 | Low | 69 Ų | 69 | 130.2 Ų | 130.2 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 107.5 | 91.5 | 146 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 146 | T | 46.3 | Very low | 50.2 | Low | 130 Ų | 130 | 131.7 Ų | 131.7 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | 43.3 | 137.8 | 128.2 | -23.6 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 147 | T | 49.6 | Very low | 50.7 | Low | 125 Ų | 125 | 133.1 Ų | 133.1 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | trans | 97.3 | 111.9 | 147 | 68.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 148 | A | 44.4 | Very low | 51 | Low | 91 Ų | 91 | 133.8 Ų | 133.8 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | 64.7 | 127.1 | 123.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 149 | S | 53.1 | Low | 51.8 | Low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | 67.8 | 113.1 | 137.5 | -74.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 150 | H | 56.9 | Low | 52.7 | Low | 159 Ų | 159 | 133.8 Ų | 133.8 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | 165 | 115.2 | 113.4 | -80.3 | 146.3 | 0 | 0 | 0 | 109.5 | |||||
| 151 | N | 51.8 | Low | 53.9 | Low | 131 Ų | 131 | 128.5 Ų | 128.5 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | 77.2 | 113 | 112.1 | -58.5 | -14.9 | 0 | 0 | 0 | 113.6 | |||||
| 152 | N | 53.3 | Low | 54.9 | Low | 178 Ų | 178 | 127.7 Ų | 127.7 | 95% | 0.952 | 76% | 0.761 | S | S | * | * | -148.9 | 129.1 | 126.5 | -91.5 | -28.9 | 0 | 0 | 0 | 110.4 | |||||
| 153 | D | 52.3 | Low | 55.4 | Low | 144 Ų | 144 | 129.1 Ų | 129.1 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -92.2 | 148.2 | -166.4 | -153 | -90.2 | 0 | 0 | 0 | 109.3 | ||||
| 154 | S | 54.3 | Low | 55.8 | Low | 107 Ų | 107 | 127.4 Ų | 127.4 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | 56 | 102 | 150.6 | -66.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 155 | A | 57.8 | Low | 56.7 | Low | 95 Ų | 95 | 132.5 Ų | 132.5 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -155.8 | 108.3 | 135 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 156 | D | 56.7 | Low | 57.1 | Low | 148 Ų | 148 | 136.5 Ų | 136.5 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -35.3 | 121.2 | 167.7 | -171.7 | 25.2 | 0 | 0 | 0 | 115.1 | ||||
| 157 | H | 59.2 | Low | 57.9 | Low | 171 Ų | 171 | 136.1 Ų | 136.1 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | trans | -127.6 | 116.1 | 163.3 | -80.9 | 9.4 | 0 | 0 | 0 | 109 | R159 | H157-R159 PolarHBondContact O-N 2.99Š| ||
| 158 | P | 64.2 | Low | 58.7 | Low | 116 Ų | 116 | 136.8 Ų | 136.8 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 125.6 | -179 | 25.9 | -32.4 | 0 | 0 | 0 | 110.7 | ||
| 159 | R | 62.9 | Low | 59.3 | Low | 214 Ų | 214 | 141.9 Ų | 141.9 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 132.7 | 173.9 | -170.3 | 177.4 | -162.9 | -95.9 | 3.4 | 110.5 | H157 S161 | H157-R159 PolarHBondContact O-N 2.99Å; R159-S161 PolarHBondContact O-N 3.2Å |
| 160 | P | 67.2 | Low | 59.5 | Low | 113 Ų | 113 | 141 Ų | 141 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 127.3 | 173.7 | 26.5 | -31.7 | 0 | 0 | 0 | 110.5 | ||
| 161 | S | 69.4 | Low | 59.3 | Low | 108 Ų | 108 | 136.8 Ų | 136.8 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 139.1 | 174 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | R159 | R159-S161 PolarHBondContact O-N 3.2Š|
| 162 | P | 71.3 | Confident | 59.4 | Low | 114 Ų | 114 | 138.7 Ų | 138.7 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 133.1 | 177.1 | 27.6 | -31 | 0 | 0 | 0 | 111.1 | ||
| 163 | L | 60 | Low | 59.5 | Low | 159 Ų | 159 | 136.4 Ų | 136.4 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 144.3 | 173.7 | -71.1 | 169.3 | 0 | 0 | 0 | 111 | Q165 | L163-Q165 PolarHBondContact O-N 2.71Š|
| 164 | P | 59.6 | Low | 59.1 | Low | 119 Ų | 119 | 135.6 Ų | 135.6 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 124.7 | 176.9 | 26.1 | -32.6 | 0 | 0 | 0 | 110.8 | L166 | P164-L166 PolarHBondContact O-N 2.94Š|
| 165 | Q | 59.3 | Low | 59.4 | Low | 193 Ų | 193 | 137.9 Ų | 137.9 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 124.2 | 173.6 | -64 | -178.5 | 51.8 | 0 | 0 | 109.2 | L163 | L163-Q165 PolarHBondContact O-N 2.71Š|
| 166 | L | 50.3 | Low | 59.2 | Low | 154 Ų | 154 | 139.5 Ų | 139.5 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 141.7 | 170.3 | -68.7 | 173.7 | 0 | 0 | 0 | 109.5 | P164 V168 | P164-L166 PolarHBondContact O-N 2.94Å; L166-V168 PolarHBondContact O-N 3.19Å |
| 167 | P | 61.6 | Low | 59 | Low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 121.6 | -176.9 | 23.8 | -32 | 0 | 0 | 0 | 111 | F169 | P167-F169 PolarHBondContact O-N 2.82Š|
| 168 | V | 68 | Low | 58.2 | Low | 139 Ų | 139 | 137.8 Ų | 137.8 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | trans | -73.4 | 106 | 167.5 | 177.7 | 0 | 0 | 0 | 0 | 107.1 | L166 A170 | L166-V168 PolarHBondContact O-N 3.19Å; V168-A170 PolarHBondContact O-N 2.82Å; V168-A170 VanDerWaalsContact O-N 3.12Å | ||
| 169 | F | 55.8 | Low | 57.8 | Low | 198 Ų | 198 | 136.9 Ų | 136.9 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | -78.8 | 93 | 171.1 | -153.9 | -92.1 | 0 | 0 | 0 | 108.3 | P167 G171 | P167-F169 PolarHBondContact O-N 2.82Å; F169-G171 PolarHBondContact O-N 3.38Å | ||
| 170 | A | 57 | Low | 57.3 | Low | 78 Ų | 78 | 131 Ų | 131 | 65% | 0.645 | 78% | 0.78 | S | S | * | * | trans | -74.1 | 106.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | V168 Q172 | V168-A170 PolarHBondContact O-N 2.82Å; V168-A170 VanDerWaalsContact O-N 3.12Å; A170-Q172 PolarHBondContact O-N 3.06Å; A170-Q172 VanDerWaalsContact O-N 3.16Å | ||
| 171 | G | 54.1 | Low | 56.8 | Low | 71 Ų | 71 | 131.5 Ų | 131.5 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | trans | -72 | 100.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110 | F169 | F169-G171 PolarHBondContact O-N 3.38Š| ||
| 172 | Q | 53.5 | Low | 56.1 | Low | 171 Ų | 171 | 136.4 Ų | 136.4 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -107.6 | 107.6 | 155.1 | -81.4 | -179 | -75.9 | 0 | 0 | 107.5 | A170 | A170-Q172 PolarHBondContact O-N 3.06Å; A170-Q172 VanDerWaalsContact O-N 3.16Å | ||
| 173 | V | 54.8 | Low | 55.2 | Low | 130 Ų | 130 | 138.2 Ų | 138.2 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | trans | -107.5 | 91 | 152.7 | -179 | 0 | 0 | 0 | 0 | 104.9 | L175 | V173-L175 HydrophobicContact CG1-CD1 3.87Å; V173-L175 HydrophobicContact CG1-CG 4.27Å | ||
| 174 | L | 44.7 | Very low | 54.7 | Low | 127 Ų | 127 | 134.5 Ų | 134.5 | 67% | 0.665 | 79% | 0.786 | S | S | * | * | trans | -93.5 | 106.3 | 161.4 | 178.6 | 68.3 | 0 | 0 | 0 | 105.4 | ||||
| 175 | L | 59.5 | Low | 54 | Low | 155 Ų | 155 | 137.2 Ų | 137.2 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -119 | 106.1 | 163.8 | -80.7 | 159.3 | 0 | 0 | 0 | 105.8 | V173 | V173-L175 HydrophobicContact CG1-CD1 3.87Å; V173-L175 HydrophobicContact CG1-CG 4.27Å | ||
| 176 | D | 54.2 | Low | 53.8 | Low | 130 Ų | 130 | 136.9 Ų | 136.9 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | trans | -67.1 | 160.8 | 175.8 | -86 | -47.6 | 0 | 0 | 0 | 112.2 | ||||
| 177 | P | 52.9 | Low | 53.6 | Low | 116 Ų | 116 | 136.3 Ų | 136.3 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -98.9 | 175.5 | -153 | 39.1 | -33 | 0 | 0 | 0 | 112.9 | ||||
| 178 | D | 42.1 | Very low | 53.1 | Low | 166 Ų | 166 | 135 Ų | 135 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | trans | 90.7 | 86.8 | 167.2 | -150.4 | 44.1 | 0 | 0 | 0 | 116.6 | ||||
| 179 | A | 55.2 | Low | 52.6 | Low | 98 Ų | 98 | 132.9 Ų | 132.9 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -154.3 | 112.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 180 | A | 53 | Low | 52.4 | Low | 91 Ų | 91 | 129.5 Ų | 129.5 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | 73.8 | 82.8 | 144.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 181 | V | 57.6 | Low | 52.3 | Low | 122 Ų | 122 | 130.4 Ų | 130.4 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | 32.5 | 115.3 | 104.2 | 172.2 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 182 | R | 54.4 | Low | 52 | Low | 211 Ų | 211 | 135.9 Ų | 135.9 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | 106.6 | 118.1 | 132.9 | -87.1 | 173.6 | 161.5 | 143 | -2.3 | 121.9 | ||||
| 183 | N | 52.7 | Low | 51.8 | Low | 152 Ų | 152 | 132.3 Ų | 132.3 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | 90.3 | 120 | 139.7 | -55.1 | -21.4 | 0 | 0 | 0 | 117.8 | ||||
| 184 | G | 47.5 | Very low | 51.5 | Low | 82 Ų | 82 | 131.5 Ų | 131.5 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | 155.4 | 79.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 185 | E | 45.9 | Very low | 51.7 | Low | 176 Ų | 176 | 130.3 Ų | 130.3 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -55.9 | 130.9 | 171 | -174.5 | 152.9 | 86 | 0 | 0 | 113.7 | ||||
| 186 | Q | 55.6 | Low | 51.3 | Low | 185 Ų | 185 | 130.9 Ų | 130.9 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | 176.6 | 106.6 | 134.2 | -96 | 155.7 | 90.4 | 0 | 0 | 113.7 | ||||
| 187 | T | 46.1 | Very low | 51.2 | Low | 143 Ų | 143 | 129.3 Ų | 129.3 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | 7 | 112.9 | 138.7 | -50.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 188 | A | 50.2 | Low | 51.1 | Low | 95 Ų | 95 | 130.8 Ų | 130.8 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -170.6 | 116.7 | 142.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 189 | A | 58.8 | Low | 51.8 | Low | 93 Ų | 93 | 129.8 Ų | 129.8 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | 52.1 | 128.6 | 151.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | A191 | A189-A191 PolarHBondContact O-N 3.37Å; A189-A191 VanDerWaalsContact O-N 3.13Å | ||
| 190 | P | 50.9 | Low | 51.6 | Low | 128 Ų | 128 | 130.4 Ų | 130.4 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | trans | -74.3 | 106.3 | 169.2 | 31.5 | -30.4 | 0 | 0 | 0 | 109.6 | Q192 | P190-Q192 PolarHBondContact O-N 3.08Š| ||
| 191 | A | 54.6 | Low | 51 | Low | 97 Ų | 97 | 133.4 Ų | 133.4 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | -63.6 | 116.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108 | A189 A193 | A189-A191 PolarHBondContact O-N 3.37Å; A189-A191 VanDerWaalsContact O-N 3.13Å; A191-A193 PolarHBondContact O-N 3.39Å | ||
| 192 | Q | 47.7 | Very low | 50.6 | Low | 185 Ų | 185 | 132.5 Ų | 132.5 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -58.9 | 101.5 | 174.8 | -61.5 | -176.7 | 40.9 | 0 | 0 | 108.3 | P190 S194 | P190-Q192 PolarHBondContact O-N 3.08Å; Q192-S194 VanDerWaalsContact C-N 3.33Å; Q192-S194 PolarHBondContact O-N 3.48Å | ||
| 193 | A | 48.7 | Very low | 50.3 | Low | 96 Ų | 96 | 132.4 Ų | 132.4 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | -63.6 | 101.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | A191 S195 | A191-A193 PolarHBondContact O-N 3.39Å; A193-S195 PolarHBondContact O-N 3.15Å | ||
| 194 | S | 49.9 | Very low | 50 | Low | 114 Ų | 114 | 129.7 Ų | 129.7 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -62 | 87.2 | 163.8 | -61.5 | 0 | 0 | 0 | 0 | 107.4 | Q192 L196 | Q192-S194 VanDerWaalsContact C-N 3.33Å; Q192-S194 PolarHBondContact O-N 3.48Å; S194-L196 PolarHBondContact O-N 3.22Å | ||
| 195 | S | 47.8 | Very low | 50.3 | Low | 102 Ų | 102 | 134.1 Ų | 134.1 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | -49 | 106.5 | 162.5 | 175.4 | 0 | 0 | 0 | 0 | 106.9 | A193 S197 | A193-S195 PolarHBondContact O-N 3.15Å; S195-S197 PolarHBondContact O-N 2.83Å | ||
| 196 | L | 51.8 | Low | 50.7 | Low | 167 Ų | 167 | 132.4 Ų | 132.4 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -62.8 | 91.4 | 162 | -75.6 | 173.6 | 0 | 0 | 0 | 105.6 | S194 L198 | S194-L196 PolarHBondContact O-N 3.22Å; L196-L198 PolarHBondContact O-N 3.2Å | ||
| 197 | S | 52.6 | Low | 50.5 | Low | 97 Ų | 97 | 131.3 Ų | 131.3 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | -55 | 108.5 | 167.3 | 49 | 0 | 0 | 0 | 0 | 106.6 | S195 I199 | S195-S197 PolarHBondContact O-N 2.83Å; S197-I199 VanDerWaalsContact C-N 3.32Å; S197-I199 PolarHBondContact O-N 3.05Å | ||
| 198 | L | 50.3 | Low | 51.3 | Low | 147 Ų | 147 | 129 Ų | 129 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | trans | -62.1 | 100.6 | 173.7 | -170.7 | 71.3 | 0 | 0 | 0 | 105.6 | L196 P200 | L196-L198 PolarHBondContact O-N 3.2Å; L198-P200 WeakPolarHBondContact O-CD 3.27Å | ||
| 199 | I | 57.4 | Low | 52.1 | Low | 144 Ų | 144 | 126.4 Ų | 126.4 | 74% | 0.738 | 72% | 0.718 | S | S | * | * | trans | -50.2 | 115 | 176.5 | -59.3 | 171.6 | 0 | 0 | 0 | 106.3 | S197 F201 | S197-I199 VanDerWaalsContact C-N 3.32Å; S197-I199 PolarHBondContact O-N 3.05Å; I199-F201 PolarHBondContact O-N 3Å | ||
| 200 | P | 51.1 | Low | 52.4 | Low | 112 Ų | 112 | 126.6 Ų | 126.6 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | trans | -59.1 | 126.2 | -177.3 | -22.1 | 32 | 0 | 0 | 0 | 108.8 | L198 P202 | L198-P200 WeakPolarHBondContact O-CD 3.27Å; P200-P202 VanDerWaalsContact O-CD 3.29Å; P200-P202 WeakPolarHBondContact O-CD 3.29Å | ||
| 201 | F | 39.2 | Very low | 53.3 | Low | 154 Ų | 154 | 126.5 Ų | 126.5 | 68% | 0.675 | 70% | 0.697 | S | S | * | * | trans | -58 | 119.4 | 170.6 | -84.5 | -88.6 | 0 | 0 | 0 | 108.4 | I199 K203 | I199-F201 PolarHBondContact O-N 3Å; F201-K203 PolarHBondContact O-N 3.33Å | ||
| 202 | P | 49.9 | Very low | 54.4 | Low | 103 Ų | 103 | 125.6 Ų | 125.6 | 67% | 0.669 | 68% | 0.677 | S | S | * | * | trans | -66.5 | 109.2 | 174.9 | 26 | -31.7 | 0 | 0 | 0 | 108.6 | P200 S204 | P200-P202 VanDerWaalsContact O-CD 3.29Å; P200-P202 WeakPolarHBondContact O-CD 3.29Å; P202-S204 PolarHBondContact O-N 3.2Å | ||
| 203 | K | 47.3 | Very low | 55.7 | Low | 208 Ų | 208 | 119.4 Ų | 119.4 | 90% | 0.904 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 17 | 178.8 | -85.7 | -173.6 | 175.5 | 179.7 | 0 | 114.1 | F201 | F201-K203 PolarHBondContact O-N 3.33Š|
| 204 | S | 47.1 | Very low | 57.1 | Low | 95 Ų | 95 | 118.3 Ų | 118.3 | 66% | 0.664 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137 | 11.2 | -167.8 | 47.1 | 0 | 0 | 0 | 0 | 116.5 | P202 E206 | P202-S204 PolarHBondContact O-N 3.2Å; S204-E206 PolarHBondContact O-N 3.28Å; S204-E206 VanDerWaalsContact O-N 3.15Å |
| 205 | R | 53.6 | Low | 58.4 | Low | 175 Ų | 175 | 118.4 Ų | 118.4 | 66% | 0.66 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -1.9 | 174.5 | -157.3 | 176.6 | -179.9 | 158 | 7.8 | 113.8 | D30 M207 | D30-R205 IonicContact OD2-NH2 3.9Å; R205-M207 PolarHBondContact O-N 3.12Å |
| 206 | E | 54.9 | Low | 59.8 | Low | 140 Ų | 140 | 116.5 Ų | 116.5 | 65% | 0.654 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -9.1 | -172.6 | -68.5 | -150 | 122.1 | 0 | 0 | 115.6 | R20 S204 | R20-E206 IonicContact NH2-OE1 3.99Å; R20-E206 PolarHBondContact NH2-OE1 3.13Å; R20-E206 VanDerWaalsContact NH2-OE1 3.08Å; S204-E206 PolarHBondContact O-N 3.28Å; S204-E206 VanDerWaalsContact O-N 3.15Å |
| 207 | M | 50 | Low | 61.1 | Low | 162 Ų | 162 | 111.7 Ų | 111.7 | 80% | 0.798 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -111.8 | 3 | -166.6 | -69.4 | -64.3 | -75.2 | 0 | 0 | 118 | R205 | R205-M207 PolarHBondContact O-N 3.12Š|
| 208 | N | 63.4 | Low | 62.3 | Low | 96 Ų | 96 | 110.8 Ų | 110.8 | 51% | 0.513 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -109.9 | 11.5 | 175.5 | -66.7 | -29.4 | 0 | 0 | 0 | 114.1 | E212 | N208-E212 HydrophobicContact CB-CG 4.27Å; N208-E212 WeakPolarHBondContact O-CB 3.16Å; N208-E212 WeakPolarHBondContact O-CG 3.26Å; N208-E212 PolarHBondContact O-N 3.37Å |
| 209 | F | 66.4 | Low | 63.5 | Low | 39 Ų | 39 | 106.8 Ų | 106.8 | 17% | 0.171 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -62.3 | -51.6 | -171 | 170.1 | -91.4 | 0 | 0 | 0 | 113.7 | R20 W23 E211 Y213 | R20-F209 HydrophobicContact CB-CE1 4.32Å; R20-F209 HydrophobicContact CB-CE2 4.2Å; R20-F209 HydrophobicContact CB-CZ 3.98Å; R20-F209 HydrophobicContact CG-CD2 4.13Å; R20-F209 HydrophobicContact CG-CE1 4.41Å; R20-F209 HydrophobicContact CG-CE2 3.81Å; R20-F209 HydrophobicContact CG-CZ 4.06Å; W23-F209 HydrophobicContact CB-CE2 3.46Å; W23-F209 VanDerWaalsContact CB-CE2 3.46Å; W23-F209 HydrophobicContact CB-CZ 3.81Å; W23-F209 AromaticContact CD1-CD2 3.47Å; W23-F209 VanDerWaalsContact CD1-CD2 3.47Å; W23-F209 AromaticContact CD1-CE2 3.17Å; W23-F209 HydrophobicContact CG-CD2 4.14Å; W23-F209 AromaticContact CG-CE2 3.43Å; W23-F209 HydrophobicContact CG-CE2 3.43Å; W23-F209 VanDerWaalsContact CG-CE2 3.43Å; W23-F209 HydrophobicContact CG-CZ 4.09Å; F209-E211 VanDerWaalsContact C-N 3.34Å; F209-Y213 VanDerWaalsContact O-CB 3.3Å; F209-Y213 WeakPolarHBondContact O-CB 3.25Å; F209-Y213 PolarHBondContact O-N 3.35Å |
| 210 | V | 66.1 | Low | 64.3 | Low | 98 Ų | 98 | 103.4 Ų | 103.4 | 59% | 0.594 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.5 | -41 | -176.3 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | Y213 V214 | V210-Y213 PolarHBondContact O-N 3.45Å; V210-V214 HydrophobicContact CG1-CG2 4.07Å; V210-V214 VanDerWaalsContact O-CB 3.26Å; V210-V214 WeakPolarHBondContact O-CB 3.3Å; V210-V214 WeakPolarHBondContact O-CG2 3.2Å; V210-V214 PolarHBondContact O-N 2.85Å |
| 211 | E | 70.1 | Confident | 65.4 | Low | 125 Ų | 125 | 101.2 Ų | 101.2 | 58% | 0.584 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.1 | -53.2 | 175.2 | -72.1 | -98.7 | 159.1 | 0 | 0 | 111.5 | F209 Y213 V214 Q215 | F209-E211 VanDerWaalsContact C-N 3.34Å; E211-Y213 PolarHBondContact O-N 3.43Å; E211-V214 PolarHBondContact O-N 2.85Å; E211-Q215 VanDerWaalsContact O-CB 3.26Å; E211-Q215 WeakPolarHBondContact O-CB 3.38Å; E211-Q215 WeakPolarHBondContact O-CG 3.37Å; E211-Q215 PolarHBondContact O-N 2.72Å |
| 212 | E | 76.4 | Confident | 66.9 | Low | 79 Ų | 79 | 98.4 Ų | 98.4 | 37% | 0.369 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 179.4 | -74.9 | -177.9 | -163.1 | 0 | 0 | 112.3 | W23 N208 F216 | W23-E212 HydrophobicContact CZ2-CB 4.05Å; N208-E212 HydrophobicContact CB-CG 4.27Å; N208-E212 WeakPolarHBondContact O-CB 3.16Å; N208-E212 WeakPolarHBondContact O-CG 3.26Å; N208-E212 PolarHBondContact O-N 3.37Å; E212-F216 VanDerWaalsContact O-CB 3.25Å; E212-F216 WeakPolarHBondContact O-CB 3.34Å; E212-F216 PolarHBondContact O-N 2.83Å |
| 213 | Y | 75.5 | Confident | 67.7 | Low | 54 Ų | 54 | 98.1 Ų | 98.1 | 21% | 0.212 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -66.9 | -44.2 | 176.6 | -179.8 | -117.7 | 0 | 0 | 0 | 111.9 | C19 W23 L27 F209 V210 E211 F216 L217 | C19-Y213 VanDerWaalsContact SG-CE1 3.57Å; W23-Y213 HydrophobicContact CD2-CD2 4.08Å; W23-Y213 AromaticContact CE3-CD2 3.41Å; W23-Y213 HydrophobicContact CE3-CD2 3.41Å; W23-Y213 VanDerWaalsContact CE3-CD2 3.41Å; W23-Y213 HydrophobicContact CE3-CE2 4.15Å; W23-Y213 HydrophobicContact CE3-CG 4.35Å; W23-Y213 AromaticContact CZ3-CD2 3.85Å; W23-Y213 HydrophobicContact CZ3-CD2 3.85Å; L27-Y213 HydrophobicContact CD1-CE2 4.14Å; F209-Y213 VanDerWaalsContact O-CB 3.3Å; F209-Y213 WeakPolarHBondContact O-CB 3.25Å; F209-Y213 PolarHBondContact O-N 3.35Å; V210-Y213 PolarHBondContact O-N 3.45Å; E211-Y213 PolarHBondContact O-N 3.43Å; Y213-F216 PolarHBondContact O-N 2.98Å; Y213-L217 HydrophobicContact CD1-CD1 4.06Å; Y213-L217 HydrophobicContact CD2-CG 4.42Å; Y213-L217 HydrophobicContact CE1-CD1 3.47Å; Y213-L217 VanDerWaalsContact CE1-CD1 3.47Å; Y213-L217 HydrophobicContact CE1-CG 4.21Å; Y213-L217 HydrophobicContact CE2-CD1 4.16Å; Y213-L217 HydrophobicContact CE2-CD2 4.19Å; Y213-L217 HydrophobicContact CE2-CG 4.04Å; Y213-L217 WeakPolarHBondContact O-CG 3.46Å; Y213-L217 PolarHBondContact O-N 3.04Å |
| 214 | V | 78.1 | Confident | 68.2 | Low | 73 Ų | 73 | 94.6 Ų | 94.6 | 44% | 0.442 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.9 | -44.4 | 176.8 | 170.9 | 0 | 0 | 0 | 0 | 109.9 | V210 E211 F216 L217 V218 | V210-V214 HydrophobicContact CG1-CG2 4.07Å; V210-V214 VanDerWaalsContact O-CB 3.26Å; V210-V214 WeakPolarHBondContact O-CB 3.3Å; V210-V214 WeakPolarHBondContact O-CG2 3.2Å; V210-V214 PolarHBondContact O-N 2.85Å; E211-V214 PolarHBondContact O-N 2.85Å; V214-F216 VanDerWaalsContact C-N 3.3Å; V214-F216 PolarHBondContact O-N 3.35Å; V214-L217 PolarHBondContact O-N 2.94Å; V214-V218 HydrophobicContact CG1-CG2 4.25Å; V214-V218 WeakPolarHBondContact O-CB 3.36Å; V214-V218 VanDerWaalsContact O-CG2 3.23Å; V214-V218 WeakPolarHBondContact O-CG2 3.43Å; V214-V218 PolarHBondContact O-N 3.44Å |
| 215 | Q | 77.1 | Confident | 68.7 | Low | 117 Ų | 117 | 97 Ų | 97 | 55% | 0.547 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.6 | -40.2 | 174.5 | -76.1 | 175.9 | 21.3 | 0 | 0 | 111.8 | E211 V218 S219 | E211-Q215 VanDerWaalsContact O-CB 3.26Å; E211-Q215 WeakPolarHBondContact O-CB 3.38Å; E211-Q215 WeakPolarHBondContact O-CG 3.37Å; E211-Q215 PolarHBondContact O-N 2.72Å; Q215-V218 PolarHBondContact O-N 2.93Å; Q215-S219 WeakPolarHBondContact O-CB 3.23Å; Q215-S219 PolarHBondContact O-N 3.33Å |
| 216 | F | 77.9 | Confident | 68.7 | Low | 61 Ų | 61 | 97.1 Ų | 97.1 | 27% | 0.268 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 174.7 | 174.3 | -105 | 0 | 0 | 0 | 112.4 | W23 E212 Y213 V214 V218 S219 L220 | W23-F216 HydrophobicContact CH2-CB 3.72Å; W23-F216 HydrophobicContact CH2-CD1 4.28Å; W23-F216 AromaticContact CH2-CG 3.94Å; W23-F216 HydrophobicContact CH2-CG 3.94Å; W23-F216 HydrophobicContact CZ3-CB 3.86Å; W23-F216 AromaticContact CZ3-CD1 3.59Å; W23-F216 HydrophobicContact CZ3-CD1 3.59Å; W23-F216 HydrophobicContact CZ3-CE1 4.25Å; W23-F216 AromaticContact CZ3-CG 3.74Å; W23-F216 HydrophobicContact CZ3-CG 3.74Å; E212-F216 VanDerWaalsContact O-CB 3.25Å; E212-F216 WeakPolarHBondContact O-CB 3.34Å; E212-F216 PolarHBondContact O-N 2.83Å; Y213-F216 PolarHBondContact O-N 2.98Å; V214-F216 VanDerWaalsContact C-N 3.3Å; V214-F216 PolarHBondContact O-N 3.35Å; F216-V218 VanDerWaalsContact C-N 3.33Å; F216-S219 PolarHBondContact O-N 3.39Å; F216-L220 HydrophobicContact CD1-CD1 3.85Å; F216-L220 HydrophobicContact CE1-CD1 3.24Å; F216-L220 HydrophobicContact CE1-CG 4.18Å; F216-L220 HydrophobicContact CE2-CD1 4.1Å; F216-L220 HydrophobicContact CE2-CG 4.19Å; F216-L220 HydrophobicContact CZ-CD1 3.39Å; F216-L220 HydrophobicContact CZ-CD2 4.44Å; F216-L220 HydrophobicContact CZ-CG 3.94Å; F216-L220 PolarHBondContact O-N 2.85Å |
| 217 | L | 79.3 | Confident | 68.3 | Low | 67 Ų | 67 | 100.1 Ų | 100.1 | 35% | 0.351 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.7 | -36.2 | 175.4 | -71.6 | -177 | 0 | 0 | 0 | 112.3 | Y213 V214 L220 S221 | Y213-L217 HydrophobicContact CD1-CD1 4.06Å; Y213-L217 HydrophobicContact CD2-CG 4.42Å; Y213-L217 HydrophobicContact CE1-CD1 3.47Å; Y213-L217 VanDerWaalsContact CE1-CD1 3.47Å; Y213-L217 HydrophobicContact CE1-CG 4.21Å; Y213-L217 HydrophobicContact CE2-CD1 4.16Å; Y213-L217 HydrophobicContact CE2-CD2 4.19Å; Y213-L217 HydrophobicContact CE2-CG 4.04Å; Y213-L217 WeakPolarHBondContact O-CG 3.46Å; Y213-L217 PolarHBondContact O-N 3.04Å; V214-L217 PolarHBondContact O-N 2.94Å; L217-L220 HydrophobicContact CD2-CD1 4.49Å; L217-S221 WeakPolarHBondContact O-CB 3.26Å; L217-S221 PolarHBondContact O-N 2.8Å; L217-S221 PolarHBondContact O-OG 3.03Å |
| 218 | V | 77.1 | Confident | 69.2 | Low | 77 Ų | 77 | 97 Ų | 97 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64 | -49.5 | 173.4 | 170 | 0 | 0 | 0 | 0 | 109.7 | V214 Q215 F216 L220 S221 D222 | V214-V218 HydrophobicContact CG1-CG2 4.25Å; V214-V218 WeakPolarHBondContact O-CB 3.36Å; V214-V218 VanDerWaalsContact O-CG2 3.23Å; V214-V218 WeakPolarHBondContact O-CG2 3.43Å; V214-V218 PolarHBondContact O-N 3.44Å; Q215-V218 PolarHBondContact O-N 2.93Å; F216-V218 VanDerWaalsContact C-N 3.33Å; V218-L220 VanDerWaalsContact C-N 3.33Å; V218-L220 PolarHBondContact O-N 2.91Å; V218-S221 WeakPolarHBondContact O-CA 3.44Å; V218-S221 WeakPolarHBondContact O-CB 3.46Å; V218-S221 PolarHBondContact O-N 3.39Å; V218-D222 PolarHBondContact O-N 3.27Å |
| 219 | S | 74.8 | Confident | 69.5 | Low | 63 Ų | 63 | 97.1 Ų | 97.1 | 44% | 0.441 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.8 | -41.9 | 176.4 | -178 | 0 | 0 | 0 | 0 | 112.8 | Q215 F216 S221 D222 D223 | Q215-S219 WeakPolarHBondContact O-CB 3.23Å; Q215-S219 PolarHBondContact O-N 3.33Å; F216-S219 PolarHBondContact O-N 3.39Å; S219-S221 VanDerWaalsContact C-N 3.27Å; S219-S221 PolarHBondContact O-N 3.39Å; S219-D222 PolarHBondContact O-N 3.3Å; S219-D223 PolarHBondContact O-N 3.13Å; S219-D223 VanDerWaalsContact O-N 3.13Å |
| 220 | L | 75.3 | Confident | 69.7 | Low | 73 Ų | 73 | 100.3 Ų | 100.3 | 38% | 0.382 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.8 | -30.3 | 174.3 | -83.4 | 171.2 | 0 | 0 | 0 | 112.9 | F216 L217 V218 L224 | F216-L220 HydrophobicContact CD1-CD1 3.85Å; F216-L220 HydrophobicContact CE1-CD1 3.24Å; F216-L220 HydrophobicContact CE1-CG 4.18Å; F216-L220 HydrophobicContact CE2-CD1 4.1Å; F216-L220 HydrophobicContact CE2-CG 4.19Å; F216-L220 HydrophobicContact CZ-CD1 3.39Å; F216-L220 HydrophobicContact CZ-CD2 4.44Å; F216-L220 HydrophobicContact CZ-CG 3.94Å; F216-L220 PolarHBondContact O-N 2.85Å; L217-L220 HydrophobicContact CD2-CD1 4.49Å; V218-L220 VanDerWaalsContact C-N 3.33Å; V218-L220 PolarHBondContact O-N 2.91Å; L220-L224 PolarHBondContact O-N 3.19Å |
| 221 | S | 73.9 | Confident | 69.9 | Low | 67 Ų | 67 | 100.4 Ų | 100.4 | 47% | 0.469 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -75.7 | -36.4 | 178.6 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | L217 V218 S219 L224 L225 | L217-S221 WeakPolarHBondContact O-CB 3.26Å; L217-S221 PolarHBondContact O-N 2.8Å; L217-S221 PolarHBondContact O-OG 3.03Å; V218-S221 WeakPolarHBondContact O-CA 3.44Å; V218-S221 WeakPolarHBondContact O-CB 3.46Å; V218-S221 PolarHBondContact O-N 3.39Å; S219-S221 VanDerWaalsContact C-N 3.27Å; S219-S221 PolarHBondContact O-N 3.39Å; S221-L224 PolarHBondContact O-N 2.78Å; S221-L225 PolarHBondContact O-N 2.93Å |
| 222 | D | 70.9 | Confident | 69.9 | Low | 95 Ų | 95 | 98.9 Ų | 98.9 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 175.1 | -69.5 | -44.6 | 0 | 0 | 0 | 111.4 | V218 S219 L224 L225 E226 | V218-D222 PolarHBondContact O-N 3.27Å; S219-D222 PolarHBondContact O-N 3.3Å; D222-L224 PolarHBondContact O-N 3.25Å; D222-L225 PolarHBondContact O-N 3.42Å; D222-E226 PolarHBondContact O-N 3.34Å |
| 223 | D | 66.7 | Low | 69.4 | Low | 97 Ų | 97 | 100.2 Ų | 100.2 | 52% | 0.519 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.8 | -27.9 | 174.5 | -80.9 | -39.1 | 0 | 0 | 0 | 112.8 | S219 I227 | S219-D223 PolarHBondContact O-N 3.13Å; S219-D223 VanDerWaalsContact O-N 3.13Å; D223-I227 WeakPolarHBondContact O-CD1 3.38Å; D223-I227 WeakPolarHBondContact O-CG1 3.41Å |
| 224 | L | 58.7 | Low | 69 | Low | 134 Ų | 134 | 103.5 Ų | 103.5 | 70% | 0.702 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -10.7 | 176.7 | -109.6 | 132.1 | 0 | 0 | 0 | 113.6 | L220 S221 D222 | L220-L224 PolarHBondContact O-N 3.19Å; S221-L224 PolarHBondContact O-N 2.78Å; D222-L224 PolarHBondContact O-N 3.25Å |
| 225 | L | 56.3 | Low | 68.3 | Low | 144 Ų | 144 | 105.8 Ų | 105.8 | 75% | 0.754 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -12.5 | 177 | -105.8 | 143 | 0 | 0 | 0 | 112.9 | S221 D222 | S221-L225 PolarHBondContact O-N 2.93Å; D222-L225 PolarHBondContact O-N 3.42Å |
| 226 | E | 53.3 | Low | 67.6 | Low | 179 Ų | 179 | 104.9 Ų | 104.9 | 84% | 0.836 | 56% | 0.561 | S | S | * | * | trans | -97.2 | 7.5 | 173.8 | -72.7 | -167.6 | 160.2 | 0 | 0 | 114.5 | D222 | D222-E226 PolarHBondContact O-N 3.34Š| ||
| 227 | I | 46.8 | Very low | 66.6 | Low | 202 Ų | 202 | 108.9 Ų | 108.9 | 100% | 1.036 | 59% | 0.588 | S | S | * | * | trans | -109.9 | 0 | 173.3 | -51.7 | 169.5 | 0 | 0 | 0 | 110.1 | D223 | D223-I227 WeakPolarHBondContact O-CD1 3.38Å; D223-I227 WeakPolarHBondContact O-CG1 3.41Å |
Retrieved 227 of 227 residues in 30 ms
(Link to these results)