| 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 | 36.7 | Very low | 44.4 | Very low | 235 Ų | 235 | 116.1 Ų | 116.1 | 100% | 1.158 | 60% | 0.598 | S | S | * | * | 0 | 118.7 | 0 | -73.4 | -175 | -173.6 | 0 | 0 | 108 | V3 | M1-V3 PolarHBondContact O-N 3.42Š| |||
| 2 | A | 42.3 | Very low | 45.4 | Very low | 46 Ų | 46 | 115.2 Ų | 115.2 | 38% | 0.38 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 120.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | F60 | A2-F60 HydrophobicContact CB-CD1 4.43Š|
| 3 | V | 43.5 | Very low | 46.8 | Very low | 127 Ų | 127 | 109.4 Ų | 109.4 | 77% | 0.77 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 129.9 | 179.8 | -174 | 0 | 0 | 0 | 0 | 108.2 | M1 | M1-V3 PolarHBondContact O-N 3.42Š|
| 4 | Q | 49.5 | Very low | 48.4 | Very low | 83 Ų | 83 | 107.9 Ų | 107.9 | 39% | 0.388 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 147.2 | 172.1 | -94.8 | -169.1 | -21 | 0 | 0 | 110.6 | K6 F60 V65 | Q4-K6 PolarHBondContact O-N 2.76Å; Q4-F60 HydrophobicContact CG-CE1 4.21Å; Q4-V65 HydrophobicContact CG-CG1 4.29Å |
| 5 | P | 45.5 | Very low | 49.9 | Very low | 42 Ų | 42 | 106.9 Ų | 106.9 | 27% | 0.273 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -51.8 | 137.8 | 159.7 | -15.5 | 27.7 | 0 | 0 | 0 | 108.5 | Q7 | P5-Q7 PolarHBondContact O-N 3.1Š|
| 6 | K | 39.1 | Very low | 51.2 | Low | 190 Ų | 190 | 104.1 Ų | 104.1 | 83% | 0.826 | 57% | 0.572 | S | S | * | * | trans | -44.3 | 143.3 | -177 | -74.4 | 178.3 | 176.4 | 174.3 | 0 | 111.4 | Q4 N8 Q9 | Q4-K6 PolarHBondContact O-N 2.76Å; K6-N8 PolarHBondContact O-N 3.1Å; K6-Q9 PolarHBondContact O-N 2.92Å | ||
| 7 | Q | 39.8 | Very low | 52.6 | Low | 178 Ų | 178 | 98.1 Ų | 98.1 | 83% | 0.832 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.5 | -3.5 | -177.9 | -79.8 | 175.8 | -20.8 | 0 | 0 | 118.4 | P5 | P5-Q7 PolarHBondContact O-N 3.1Š|
| 8 | N | 37.8 | Very low | 54.1 | Low | 158 Ų | 158 | 95.2 Ų | 95.2 | 85% | 0.845 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -10.3 | 177.7 | -75.5 | 1.1 | 0 | 0 | 0 | 114.7 | K6 N10 | K6-N8 PolarHBondContact O-N 3.1Å; N8-N10 PolarHBondContact O-N 3.19Å; N8-N10 VanDerWaalsContact O-N 3.12Å |
| 9 | Q | 46.4 | Very low | 55.4 | Low | 87 Ų | 87 | 95.7 Ų | 95.7 | 41% | 0.407 | 52% | 0.52 | S | S | . | . | trans | -85.1 | 67.9 | 167.1 | -75.7 | -177.4 | -8.9 | 0 | 0 | 109.7 | K6 | K6-Q9 PolarHBondContact O-N 2.92Š| ||
| 10 | N | 51.2 | Low | 56.8 | Low | 110 Ų | 110 | 92 Ų | 92 | 59% | 0.588 | 51% | 0.505 | S | S | * | . | trans | -61.3 | 139.3 | 158.8 | -81.8 | -28.2 | 0 | 0 | 0 | 107.2 | N8 S12 | N8-N10 PolarHBondContact O-N 3.19Å; N8-N10 VanDerWaalsContact O-N 3.12Å; N10-S12 PolarHBondContact O-N 3.36Å | ||
| 11 | L | 57.2 | Low | 58.1 | Low | 21 Ų | 21 | 87.7 Ų | 87.7 | 11% | 0.11 | 48% | 0.481 | C | S | . | . | trans | -68.1 | 59.1 | 165.7 | -129.4 | 152.6 | 0 | 0 | 0 | 107.6 | L13 T46 L69 I80 | L11-L13 VanDerWaalsContact C-N 3.25Å; L11-L13 HydrophobicContact CD2-CD1 3.68Å; L11-L13 HydrophobicContact CD2-CG 4.16Å; L11-L13 PolarHBondContact O-N 3.05Å; L11-T46 HydrophobicContact CD1-CG2 4.02Å; L11-L69 HydrophobicContact CD2-CD1 4.24Å; L11-L69 HydrophobicContact CD2-CD2 4.08Å; L11-I80 HydrophobicContact CB-CD1 4.32Å; L11-I80 HydrophobicContact CD1-CD1 3.87Å; L11-I80 HydrophobicContact CD1-CG1 3.55Å; L11-I80 HydrophobicContact CG-CD1 4.16Å; L11-I80 HydrophobicContact CG-CG1 4.29Å | ||
| 12 | S | 55.6 | Low | 60.5 | Low | 105 Ų | 105 | 76.8 Ų | 76.8 | 73% | 0.734 | 43% | 0.427 | S | S | * | . | trans | -82.9 | 76.3 | -176.8 | 71 | 0 | 0 | 0 | 0 | 108.2 | N10 | N10-S12 PolarHBondContact O-N 3.36Š| ||
| 13 | L | 64 | Low | 62.6 | Low | 40 Ų | 40 | 77.8 Ų | 77.8 | 21% | 0.209 | 43% | 0.427 | C | S | . | . | trans | -74.5 | 142.1 | 165.9 | -69.9 | 163.6 | 0 | 0 | 0 | 108.3 | L11 E18 L69 | L11-L13 VanDerWaalsContact C-N 3.25Å; L11-L13 HydrophobicContact CD2-CD1 3.68Å; L11-L13 HydrophobicContact CD2-CG 4.16Å; L11-L13 PolarHBondContact O-N 3.05Å; L13-E18 HydrophobicContact CB-CB 4.05Å; L13-L69 HydrophobicContact CD1-CD2 4.44Å | ||
| 14 | D | 69.9 | Low | 64.7 | Low | 89 Ų | 89 | 73.8 Ų | 73.8 | 48% | 0.476 | 40% | 0.399 | S | S | . | . | trans | -58.1 | 141.7 | 165 | -175.3 | 3.9 | 0 | 0 | 0 | 108.3 | A16 A17 E18 K112 | D14-A16 PolarHBondContact O-N 3.08Å; D14-A16 VanDerWaalsContact O-N 3.08Å; D14-A17 HydrophobicContact CB-CB 4.44Å; D14-A17 WeakPolarHBondContact O-CA 3Å; D14-A17 WeakPolarHBondContact O-CB 3.49Å; D14-A17 PolarHBondContact O-N 3.32Å; D14-E18 PolarHBondContact O-N 3.39Å; D14-K112 IonicContact OD2-NZ 3.22Å | ||
| 15 | S | 70.1 | Confident | 66.5 | Low | 92 Ų | 92 | 71.1 Ų | 71.1 | 64% | 0.643 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -54.7 | -34.7 | -173.5 | 179 | 0 | 0 | 0 | 0 | 112.4 | H19 | S15-H19 WeakPolarHBondContact O-CB 3.25Å; S15-H19 PolarHBondContact O-N 3.32Å; S15-H19 VanDerWaalsContact O-N 3.07Å |
| 16 | A | 71.3 | Confident | 68.5 | Low | 62 Ų | 62 | 74 Ų | 74 | 51% | 0.512 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D14 H19 G20 | D14-A16 PolarHBondContact O-N 3.08Å; D14-A16 VanDerWaalsContact O-N 3.08Å; A16-H19 PolarHBondContact O-N 3.07Å; A16-G20 PolarHBondContact O-N 3.27Å |
| 17 | A | 73.9 | Confident | 70.8 | Confident | 3 Ų | 3 | 69.2 Ų | 69.2 | 3% | 0.025 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -73.9 | -31.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | D14 F21 H114 | D14-A17 HydrophobicContact CB-CB 4.44Å; D14-A17 WeakPolarHBondContact O-CA 3Å; D14-A17 WeakPolarHBondContact O-CB 3.49Å; D14-A17 PolarHBondContact O-N 3.32Å; A17-F21 WeakPolarHBondContact O-CB 3.4Å; A17-F21 PolarHBondContact O-N 2.86Å; A17-H114 WeakPolarHBondContact CA-NE2 3.46Å; A17-H114 PolarHBondContact O-CE1 3.17Å; A17-H114 PolarHBondContact O-NE2 3.36Å |
| 18 | E | 79.7 | Confident | 73.2 | Confident | 46 Ų | 46 | 62 Ų | 62 | 22% | 0.215 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 171.9 | -172 | 175.9 | 167.6 | 0 | 0 | 111 | L13 D14 G20 F21 L22 L69 G70 | L13-E18 HydrophobicContact CB-CB 4.05Å; D14-E18 PolarHBondContact O-N 3.39Å; E18-G20 PolarHBondContact O-N 2.88Å; E18-F21 PolarHBondContact O-N 3.31Å; E18-L22 HydrophobicContact CG-CD1 4.32Å; E18-L22 VanDerWaalsContact O-CG 3.3Å; E18-L22 WeakPolarHBondContact O-CG 3.21Å; E18-L22 PolarHBondContact O-N 3.07Å; E18-L69 HydrophobicContact CG-CB 4.44Å; E18-L69 HydrophobicContact CG-CD2 4.2Å; E18-L69 WeakPolarHBondContact OE1-CA 3.31Å; E18-G70 PolarHBondContact OE1-N 3Å |
| 19 | H | 80.1 | Confident | 75.6 | Confident | 104 Ų | 104 | 59.1 Ų | 59.1 | 48% | 0.481 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 179.6 | -157.1 | 86.6 | 0 | 0 | 0 | 112.7 | S15 A16 L22 N23 | S15-H19 WeakPolarHBondContact O-CB 3.25Å; S15-H19 PolarHBondContact O-N 3.32Å; S15-H19 VanDerWaalsContact O-N 3.07Å; A16-H19 PolarHBondContact O-N 3.07Å; H19-L22 PolarHBondContact O-N 3.08Å; H19-N23 PolarHBondContact CD2-ND2 3.06Å; H19-N23 PolarHBondContact O-N 3.49Å; H19-N23 PolarHBondContact O-ND2 3.17Å |
| 20 | G | 81.7 | Confident | 77.5 | Confident | 22 Ų | 22 | 64.2 Ų | 64.2 | 23% | 0.227 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A16 E18 N23 F24 H114 | A16-G20 PolarHBondContact O-N 3.27Å; E18-G20 PolarHBondContact O-N 2.88Å; G20-N23 PolarHBondContact O-N 3.44Å; G20-F24 PolarHBondContact O-N 3.46Å; G20-F24 VanDerWaalsContact O-N 3.1Å; G20-H114 VanDerWaalsContact CA-CD2 3.45Å; G20-H114 WeakPolarHBondContact CA-CD2 3.08Å |
| 21 | F | 85.8 | Confident | 79.2 | Confident | 1 Ų | 1 | 61 Ų | 61 | 0% | 0.004 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 175.5 | -178.7 | -107.8 | 0 | 0 | 0 | 112.7 | A17 E18 N23 F24 I25 F39 H48 L69 H114 W116 | A17-F21 WeakPolarHBondContact O-CB 3.4Å; A17-F21 PolarHBondContact O-N 2.86Å; E18-F21 PolarHBondContact O-N 3.31Å; F21-N23 VanDerWaalsContact C-N 3.33Å; F21-N23 PolarHBondContact O-N 2.82Å; F21-F24 WeakPolarHBondContact O-CB 3.19Å; F21-F24 PolarHBondContact O-N 2.81Å; F21-I25 HydrophobicContact CD1-CG1 4.1Å; F21-I25 HydrophobicContact CD2-CG1 4.36Å; F21-I25 HydrophobicContact CE1-CD1 4.15Å; F21-I25 HydrophobicContact CE1-CG1 3.62Å; F21-I25 HydrophobicContact CE2-CD1 3.97Å; F21-I25 HydrophobicContact CE2-CG1 3.93Å; F21-I25 HydrophobicContact CG-CG1 4.46Å; F21-I25 HydrophobicContact CZ-CD1 3.58Å; F21-I25 HydrophobicContact CZ-CG1 3.53Å; F21-I25 WeakPolarHBondContact O-CG1 3.48Å; F21-I25 PolarHBondContact O-N 3.4Å; F21-F39 AromaticContact CE2-CD1 3.92Å; F21-F39 HydrophobicContact CE2-CD1 3.92Å; F21-F39 HydrophobicContact CE2-CE1 4.22Å; F21-F39 HydrophobicContact CE2-CG 4.29Å; F21-F39 HydrophobicContact CZ-CD1 4.21Å; F21-F39 HydrophobicContact CZ-CD2 4.4Å; F21-F39 HydrophobicContact CZ-CE1 4.47Å; F21-F39 HydrophobicContact CZ-CG 4.19Å; F21-H48 AromaticContact CE1-CD2 3.86Å; F21-H48 AromaticContact CE1-CE1 3.58Å; F21-H48 AromaticContact CE1-NE2 3.44Å; F21-H48 WeakPolarHBondContact CE1-NE2 3.3Å; F21-H48 AromaticContact CZ-CD2 3.62Å; F21-H48 AromaticContact CZ-CE1 3.95Å; F21-H48 AromaticContact CZ-NE2 3.3Å; F21-H48 VanDerWaalsContact CZ-NE2 3.3Å; F21-H48 WeakPolarHBondContact CZ-NE2 3.46Å; F21-L69 HydrophobicContact CD1-CD1 4.31Å; F21-L69 HydrophobicContact CE1-CD1 4.32Å; F21-H114 PolarHBondContact N-CD2 3.4Å; F21-H114 PolarHBondContact N-NE2 3.34Å; F21-W116 AromaticContact CD2-CE2 3.85Å; F21-W116 AromaticContact CD2-CZ2 3.98Å; F21-W116 HydrophobicContact CD2-CZ2 3.98Å; F21-W116 AromaticContact CD2-NE1 3.54Å; F21-W116 AromaticContact CE2-CE2 3.89Å; F21-W116 AromaticContact CE2-CZ2 3.92Å; F21-W116 HydrophobicContact CE2-CZ2 3.92Å; F21-W116 AromaticContact CE2-NE1 3.97Å |
| 22 | L | 86.4 | Confident | 80.6 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.8 | -44 | 176 | -71.6 | 170.2 | 0 | 0 | 0 | 111.2 | E18 H19 F24 I25 F26 L69 L76 | E18-L22 HydrophobicContact CG-CD1 4.32Å; E18-L22 VanDerWaalsContact O-CG 3.3Å; E18-L22 WeakPolarHBondContact O-CG 3.21Å; E18-L22 PolarHBondContact O-N 3.07Å; H19-L22 PolarHBondContact O-N 3.08Å; L22-F24 VanDerWaalsContact C-N 3.3Å; L22-F24 PolarHBondContact O-N 3.44Å; L22-I25 PolarHBondContact O-N 3.03Å; L22-F26 HydrophobicContact CB-CD2 4.39Å; L22-F26 HydrophobicContact CB-CE2 4.36Å; L22-F26 HydrophobicContact CD2-CE2 4.16Å; L22-F26 WeakPolarHBondContact O-CD2 3.46Å; L22-F26 PolarHBondContact O-N 3.3Å; L22-L69 HydrophobicContact CD2-CB 4.23Å; L22-L76 HydrophobicContact CD2-CB 3.8Å; L22-L76 HydrophobicContact CD2-CD2 3.75Å; L22-L76 HydrophobicContact CD2-CG 4.44Å |
| 23 | N | 86.5 | Confident | 82.1 | Confident | 68 Ų | 68 | 63.3 Ų | 63.3 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 176.4 | -75.9 | -27.5 | 0 | 0 | 0 | 112.4 | H19 G20 F21 S27 R74 | H19-N23 PolarHBondContact CD2-ND2 3.06Å; H19-N23 PolarHBondContact O-N 3.49Å; H19-N23 PolarHBondContact O-ND2 3.17Å; G20-N23 PolarHBondContact O-N 3.44Å; F21-N23 VanDerWaalsContact C-N 3.33Å; F21-N23 PolarHBondContact O-N 2.82Å; N23-S27 WeakPolarHBondContact O-CB 3.41Å; N23-S27 PolarHBondContact O-N 2.85Å; N23-S27 PolarHBondContact O-OG 3.44Å; N23-R74 PolarHBondContact OD1-NH1 3.01Å |
| 24 | F | 87.9 | Confident | 83.2 | Confident | 42 Ų | 42 | 64.4 Ų | 64.4 | 18% | 0.184 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.1 | -50.4 | 174.1 | 173.5 | -93.2 | 0 | 0 | 0 | 111.7 | G20 F21 L22 F26 S27 M28 F39 Y104 W116 | G20-F24 PolarHBondContact O-N 3.46Å; G20-F24 VanDerWaalsContact O-N 3.1Å; F21-F24 WeakPolarHBondContact O-CB 3.19Å; F21-F24 PolarHBondContact O-N 2.81Å; L22-F24 VanDerWaalsContact C-N 3.3Å; L22-F24 PolarHBondContact O-N 3.44Å; F24-F26 VanDerWaalsContact C-N 3.33Å; F24-F26 PolarHBondContact O-N 3Å; F24-S27 PolarHBondContact O-N 2.92Å; F24-S27 VanDerWaalsContact O-N 3.1Å; F24-S27 PolarHBondContact O-OG 3.46Å; F24-M28 HydrophobicContact CD1-CG 4.41Å; F24-M28 HydrophobicContact CD1-SD 4.31Å; F24-M28 HydrophobicContact CE1-CE 4.07Å; F24-M28 HydrophobicContact CE1-CG 3.95Å; F24-M28 HydrophobicContact CE1-SD 3.62Å; F24-M28 HydrophobicContact CZ-CE 4.13Å; F24-M28 HydrophobicContact CZ-CG 4.15Å; F24-M28 HydrophobicContact CZ-SD 4.16Å; F24-M28 VanDerWaalsContact O-CG 3.29Å; F24-M28 WeakPolarHBondContact O-CG 3.09Å; F24-M28 PolarHBondContact O-N 3.48Å; F24-F39 AromaticContact CE1-CE1 3.97Å; F24-F39 HydrophobicContact CE1-CE1 3.97Å; F24-Y104 HydrophobicContact CZ-CD1 4.39Å; F24-Y104 HydrophobicContact CZ-CE1 4.46Å; F24-W116 HydrophobicContact CD1-CB 4.17Å; F24-W116 AromaticContact CD1-CD1 3.81Å; F24-W116 HydrophobicContact CD1-CG 4.14Å; F24-W116 HydrophobicContact CD2-CB 4.35Å; F24-W116 HydrophobicContact CE1-CB 3.6Å; F24-W116 AromaticContact CE1-CG 3.97Å; F24-W116 HydrophobicContact CE1-CG 3.97Å; F24-W116 HydrophobicContact CE2-CB 3.78Å; F24-W116 AromaticContact CG-CD1 3.96Å; F24-W116 HydrophobicContact CZ-CB 3.38Å; F24-W116 HydrophobicContact CZ-CG 4.22Å |
| 25 | I | 87.1 | Confident | 84.2 | Confident | 27 Ų | 27 | 60.5 Ų | 60.5 | 14% | 0.138 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.7 | -43.5 | -178.7 | -69.4 | -68.6 | 0 | 0 | 0 | 111.6 | F21 L22 S27 M28 F39 L76 | F21-I25 HydrophobicContact CD1-CG1 4.1Å; F21-I25 HydrophobicContact CD2-CG1 4.36Å; F21-I25 HydrophobicContact CE1-CD1 4.15Å; F21-I25 HydrophobicContact CE1-CG1 3.62Å; F21-I25 HydrophobicContact CE2-CD1 3.97Å; F21-I25 HydrophobicContact CE2-CG1 3.93Å; F21-I25 HydrophobicContact CG-CG1 4.46Å; F21-I25 HydrophobicContact CZ-CD1 3.58Å; F21-I25 HydrophobicContact CZ-CG1 3.53Å; F21-I25 WeakPolarHBondContact O-CG1 3.48Å; F21-I25 PolarHBondContact O-N 3.4Å; L22-I25 PolarHBondContact O-N 3.03Å; I25-S27 VanDerWaalsContact C-N 3.27Å; I25-S27 PolarHBondContact O-N 2.98Å; I25-M28 HydrophobicContact CD1-SD 3.97Å; I25-M28 PolarHBondContact O-N 3.45Å; I25-F39 HydrophobicContact CD1-CE1 3.71Å; I25-F39 HydrophobicContact CD1-CE2 3.67Å; I25-F39 HydrophobicContact CD1-CZ 3.17Å; I25-L76 HydrophobicContact CB-CD2 4.42Å; I25-L76 HydrophobicContact CG1-CD2 4.38Å; I25-L76 HydrophobicContact CG2-CD1 4.39Å; I25-L76 HydrophobicContact CG2-CD2 3.97Å |
| 26 | F | 86.8 | Confident | 85.3 | Confident | 103 Ų | 103 | 56.3 Ų | 56.3 | 45% | 0.452 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73.5 | -15.5 | 179.4 | -72.2 | -61.4 | 0 | 0 | 0 | 113.8 | L22 F24 R74 | L22-F26 HydrophobicContact CB-CD2 4.39Å; L22-F26 HydrophobicContact CB-CE2 4.36Å; L22-F26 HydrophobicContact CD2-CE2 4.16Å; L22-F26 WeakPolarHBondContact O-CD2 3.46Å; L22-F26 PolarHBondContact O-N 3.3Å; F24-F26 VanDerWaalsContact C-N 3.33Å; F24-F26 PolarHBondContact O-N 3Å; F26-R74 HydrophobicContact CE2-CB 3.99Å; F26-R74 HydrophobicContact CE2-CG 4.06Å; F26-R74 HydrophobicContact CZ-CB 4.43Å |
| 27 | S | 88.8 | Confident | 86.4 | Confident | 89 Ų | 89 | 54.7 Ų | 54.7 | 62% | 0.622 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -91 | -8 | 174.3 | 72.5 | 0 | 0 | 0 | 0 | 113.6 | N23 F24 I25 | N23-S27 WeakPolarHBondContact O-CB 3.41Å; N23-S27 PolarHBondContact O-N 2.85Å; N23-S27 PolarHBondContact O-OG 3.44Å; F24-S27 PolarHBondContact O-N 2.92Å; F24-S27 VanDerWaalsContact O-N 3.1Å; F24-S27 PolarHBondContact O-OG 3.46Å; I25-S27 VanDerWaalsContact C-N 3.27Å; I25-S27 PolarHBondContact O-N 2.98Å |
| 28 | M | 88.3 | Confident | 87.3 | Confident | 28 Ų | 28 | 54.6 Ų | 54.6 | 14% | 0.138 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -66.5 | 148.2 | 179.9 | -61 | -173.5 | 80.7 | 0 | 0 | 111.7 | F24 I25 F39 Y104 | F24-M28 HydrophobicContact CD1-CG 4.41Å; F24-M28 HydrophobicContact CD1-SD 4.31Å; F24-M28 HydrophobicContact CE1-CE 4.07Å; F24-M28 HydrophobicContact CE1-CG 3.95Å; F24-M28 HydrophobicContact CE1-SD 3.62Å; F24-M28 HydrophobicContact CZ-CE 4.13Å; F24-M28 HydrophobicContact CZ-CG 4.15Å; F24-M28 HydrophobicContact CZ-SD 4.16Å; F24-M28 VanDerWaalsContact O-CG 3.29Å; F24-M28 WeakPolarHBondContact O-CG 3.09Å; F24-M28 PolarHBondContact O-N 3.48Å; I25-M28 HydrophobicContact CD1-SD 3.97Å; I25-M28 PolarHBondContact O-N 3.45Å; M28-F39 HydrophobicContact CE-CZ 4.49Å; M28-F39 HydrophobicContact SD-CE1 4.49Å; M28-F39 HydrophobicContact SD-CZ 4.02Å; M28-Y104 HydrophobicContact CE-CD1 4.26Å; M28-Y104 HydrophobicContact CE-CD2 4.46Å; M28-Y104 HydrophobicContact CE-CE1 3.49Å; M28-Y104 VanDerWaalsContact CE-CE1 3.49Å; M28-Y104 HydrophobicContact CE-CE2 3.73Å; M28-Y104 WeakPolarHBondContact CE-OH 3.45Å |
| 29 | P | 88.1 | Confident | 87.9 | Confident | 96 Ų | 96 | 52.6 Ų | 52.6 | 62% | 0.623 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 147.2 | 172.2 | -21.5 | 31.6 | 0 | 0 | 0 | 111.6 | R37 | P29-R37 PolarHBondContact O-NH1 3.07Å; P29-R37 PolarHBondContact O-NH2 2.7Å |
| 30 | E | 86.6 | Confident | 88.5 | Confident | 194 Ų | 194 | 48.3 Ų | 48.3 | 91% | 0.907 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 141.1 | 169.7 | -167.6 | 172.2 | -168.6 | 0 | 0 | 110 | ||
| 31 | K | 88 | Confident | 88.7 | Confident | 44 Ų | 44 | 49.1 Ų | 49.1 | 19% | 0.191 | 26% | 0.26 | C | S | . | . | trans | -120.1 | 150 | -178.8 | 69.8 | -178.7 | -173.4 | 67.4 | 0 | 110.6 | T35 R37 D51 | K31-T35 WeakPolarHBondContact CD-O 3.49Å; K31-T35 WeakPolarHBondContact CE-O 3.48Å; K31-T35 PolarHBondContact NZ-O 3.09Å; K31-R37 HydrophobicContact CD-CG 3.77Å; K31-D51 WeakPolarHBondContact CE-OD1 3.32Å; K31-D51 WeakPolarHBondContact CE-OD2 3.43Å; K31-D51 VanDerWaalsContact NZ-CG 3.28Å; K31-D51 IonicContact NZ-OD1 2.86Å; K31-D51 PolarHBondContact NZ-OD1 2.9Å; K31-D51 IonicContact NZ-OD2 4Å; K31-D51 PolarHBondContact NZ-OD2 3.15Å; K31-D51 VanDerWaalsContact NZ-OD2 3.1Å | ||
| 32 | P | 86.8 | Confident | 88.6 | Confident | 71 Ų | 71 | 53.6 Ų | 53.6 | 46% | 0.461 | 28% | 0.284 | S | S | . | . | trans | -58.8 | 150 | 167.4 | -21.2 | 33.2 | 0 | 0 | 0 | 111.6 | T34 T35 | P32-T34 PolarHBondContact O-N 2.87Å; P32-T34 VanDerWaalsContact O-N 3.16Å; P32-T35 PolarHBondContact O-N 3.42Å | ||
| 33 | D | 86.1 | Confident | 88.4 | Confident | 103 Ų | 103 | 59.2 Ų | 59.2 | 55% | 0.551 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -17.9 | 173.8 | -73.7 | -30.4 | 0 | 0 | 0 | 112.2 | K50 | D33-K50 IonicContact OD1-NZ 3.32Å; D33-K50 PolarHBondContact OD1-NZ 2.89Å; D33-K50 IonicContact OD2-NZ 2.75Å |
| 34 | T | 87.1 | Confident | 88.5 | Confident | 63 Ų | 63 | 57.9 Ų | 57.9 | 39% | 0.387 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -2.2 | 175 | 55.6 | 0 | 0 | 0 | 0 | 114.3 | P32 Y99 R100 | P32-T34 PolarHBondContact O-N 2.87Å; P32-T34 VanDerWaalsContact O-N 3.16Å; T34-Y99 HydrophobicContact CG2-CD1 4.13Å; T34-Y99 HydrophobicContact CG2-CE1 3.95Å; T34-Y99 WeakPolarHBondContact O-CA 3.48Å; T34-Y99 VanDerWaalsContact O-CB 3.3Å; T34-Y99 WeakPolarHBondContact O-CB 3.44Å; T34-R100 PolarHBondContact O-N 2.98Å |
| 35 | T | 90.6 | Very high | 88.7 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 121.9 | 176.4 | -60.3 | 0 | 0 | 0 | 0 | 109.9 | K31 P32 R100 E102 | K31-T35 WeakPolarHBondContact CD-O 3.49Å; K31-T35 WeakPolarHBondContact CE-O 3.48Å; K31-T35 PolarHBondContact NZ-O 3.09Å; P32-T35 PolarHBondContact O-N 3.42Å; T35-R100 CarbonylContact C-O 3.19Å; T35-R100 WeakPolarHBondContact CA-O 3.48Å; T35-R100 HydrophobicContact CG2-CB 4.33Å; T35-E102 HydrophobicContact CG2-CG 4Å |
| 36 | F | 93.3 | Very high | 89 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 133.2 | 177.8 | -83.6 | -105 | 0 | 0 | 0 | 111.2 | D51 F54 F89 L93 Y99 R100 V101 E102 | F36-D51 WeakPolarHBondContact CA-OD2 3.37Å; F36-D51 HydrophobicContact CD1-CB 3.74Å; F36-D51 HydrophobicContact CE1-CB 3.87Å; F36-F54 HydrophobicContact CE1-CB 3.91Å; F36-F54 AromaticContact CE1-CD1 3.49Å; F36-F54 HydrophobicContact CE1-CD1 3.49Å; F36-F54 VanDerWaalsContact CE1-CD1 3.49Å; F36-F54 HydrophobicContact CE1-CE1 4.23Å; F36-F54 AromaticContact CE1-CG 3.88Å; F36-F54 HydrophobicContact CE1-CG 3.88Å; F36-F54 HydrophobicContact CE2-CD1 4.45Å; F36-F54 HydrophobicContact CZ-CB 3.92Å; F36-F54 AromaticContact CZ-CD1 3.32Å; F36-F54 HydrophobicContact CZ-CD1 3.32Å; F36-F54 HydrophobicContact CZ-CD2 4.19Å; F36-F54 AromaticContact CZ-CE1 3.79Å; F36-F54 HydrophobicContact CZ-CE1 3.79Å; F36-F54 AromaticContact CZ-CG 3.54Å; F36-F54 HydrophobicContact CZ-CG 3.54Å; F36-F54 HydrophobicContact CZ-CZ 4.4Å; F36-F89 HydrophobicContact CD1-CE1 4.08Å; F36-F89 AromaticContact CD1-CZ 3.86Å; F36-F89 HydrophobicContact CD1-CZ 3.86Å; F36-F89 HydrophobicContact CE1-CE1 4.46Å; F36-F89 AromaticContact CE1-CZ 3.8Å; F36-F89 HydrophobicContact CE1-CZ 3.8Å; F36-L93 HydrophobicContact CB-CD1 3.9Å; F36-L93 HydrophobicContact CD1-CD1 4.02Å; F36-L93 HydrophobicContact CD1-CD2 4.4Å; F36-L93 HydrophobicContact CD2-CD1 4.21Å; F36-L93 HydrophobicContact CD2-CD2 3.96Å; F36-L93 HydrophobicContact CE1-CD2 4.36Å; F36-L93 HydrophobicContact CE2-CD2 3.96Å; F36-L93 HydrophobicContact CG-CD1 3.75Å; F36-L93 HydrophobicContact CG-CD2 4.21Å; F36-L93 HydrophobicContact CZ-CD2 4.16Å; F36-Y99 AromaticContact CD2-CD2 3.87Å; F36-Y99 HydrophobicContact CD2-CD2 3.87Å; F36-Y99 AromaticContact CE2-CD2 3.36Å; F36-Y99 HydrophobicContact CE2-CD2 3.36Å; F36-Y99 AromaticContact CE2-CE2 3.77Å; F36-Y99 HydrophobicContact CE2-CE2 3.77Å; F36-Y99 HydrophobicContact CE2-CG 4.39Å; F36-Y99 HydrophobicContact CZ-CD2 4.32Å; F36-Y99 HydrophobicContact CZ-CE2 4.46Å; F36-R100 PolarHBondContact N-O 3.1Å; F36-V101 CarbonylContact O-C 3.53Å; F36-V101 WeakPolarHBondContact O-CA 3.29Å; F36-E102 PolarHBondContact O-N 2.93Å |
| 37 | R | 94.3 | Very high | 89.3 | Confident | 29 Ų | 29 | 51.1 Ų | 51.1 | 11% | 0.109 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 121.5 | 175.1 | -66.4 | -176.1 | 176.2 | 150.3 | 0.6 | 110.5 | P29 K31 F39 D51 E102 Y104 | P29-R37 PolarHBondContact O-NH1 3.07Å; P29-R37 PolarHBondContact O-NH2 2.7Å; K31-R37 HydrophobicContact CD-CG 3.77Å; R37-F39 HydrophobicContact CB-CE2 4.16Å; R37-F39 HydrophobicContact CB-CZ 4.39Å; R37-D51 PolarHBondContact N-OD2 3.22Å; R37-E102 WeakPolarHBondContact CA-O 3.34Å; R37-E102 HydrophobicContact CG-CB 4.3Å; R37-E102 WeakPolarHBondContact CG-OE2 3.48Å; R37-E102 IonicContact CZ-OE2 3.24Å; R37-E102 IonicContact NE-OE2 2.92Å; R37-E102 PolarHBondContact NE-OE2 2.9Å; R37-Y104 HydrophobicContact CB-CE2 4.23Å; R37-Y104 HydrophobicContact CG-CE2 3.97Å |
| 38 | I | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 139.3 | -177.8 | -51.2 | -179.5 | 0 | 0 | 0 | 108.8 | Y45 V47 F86 F89 V90 V101 E102 V103 Y104 | I38-Y45 HydrophobicContact CG2-CD1 3.92Å; I38-Y45 HydrophobicContact CG2-CG 4.22Å; I38-V47 HydrophobicContact CB-CG1 4.29Å; I38-V47 HydrophobicContact CG1-CG1 3.82Å; I38-V47 HydrophobicContact CG2-CG1 4.2Å; I38-F86 HydrophobicContact CB-CE2 4.42Å; I38-F86 HydrophobicContact CD1-CD2 3.92Å; I38-F86 HydrophobicContact CD1-CE2 3.72Å; I38-F86 HydrophobicContact CG2-CD2 3.9Å; I38-F86 HydrophobicContact CG2-CE2 3.86Å; I38-F89 HydrophobicContact CD1-CD1 4.45Å; I38-V90 HydrophobicContact CD1-CG2 3.74Å; I38-V101 HydrophobicContact CD1-CG1 3.71Å; I38-V101 HydrophobicContact CG1-CG1 4.21Å; I38-E102 PolarHBondContact N-O 3Å; I38-V103 HydrophobicContact CB-CG2 4.23Å; I38-V103 CarbonylContact O-C 3.54Å; I38-V103 WeakPolarHBondContact O-CA 3.47Å; I38-Y104 PolarHBondContact O-N 3.1Å |
| 39 | F | 92.5 | Very high | 89.7 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 120.3 | -176 | -63 | -91.3 | 0 | 0 | 0 | 110.3 | F21 F24 I25 M28 R37 Y45 T46 H48 Y104 W116 | F21-F39 AromaticContact CE2-CD1 3.92Å; F21-F39 HydrophobicContact CE2-CD1 3.92Å; F21-F39 HydrophobicContact CE2-CE1 4.22Å; F21-F39 HydrophobicContact CE2-CG 4.29Å; F21-F39 HydrophobicContact CZ-CD1 4.21Å; F21-F39 HydrophobicContact CZ-CD2 4.4Å; F21-F39 HydrophobicContact CZ-CE1 4.47Å; F21-F39 HydrophobicContact CZ-CG 4.19Å; F24-F39 AromaticContact CE1-CE1 3.97Å; F24-F39 HydrophobicContact CE1-CE1 3.97Å; I25-F39 HydrophobicContact CD1-CE1 3.71Å; I25-F39 HydrophobicContact CD1-CE2 3.67Å; I25-F39 HydrophobicContact CD1-CZ 3.17Å; M28-F39 HydrophobicContact CE-CZ 4.49Å; M28-F39 HydrophobicContact SD-CE1 4.49Å; M28-F39 HydrophobicContact SD-CZ 4.02Å; R37-F39 HydrophobicContact CB-CE2 4.16Å; R37-F39 HydrophobicContact CB-CZ 4.39Å; F39-Y45 CarbonylContact O-C 3.44Å; F39-Y45 VanDerWaalsContact O-CA 3.32Å; F39-Y45 WeakPolarHBondContact O-CA 3.37Å; F39-T46 PolarHBondContact N-O 2.83Å; F39-T46 PolarHBondContact O-N 3.29Å; F39-H48 AromaticContact CD2-CD2 3.47Å; F39-H48 VanDerWaalsContact CD2-CD2 3.47Å; F39-H48 WeakPolarHBondContact CD2-CD2 3.42Å; F39-H48 AromaticContact CD2-NE2 3.96Å; F39-H48 AromaticContact CE2-CD2 3.75Å; F39-Y104 HydrophobicContact CD1-CG 4.26Å; F39-Y104 HydrophobicContact CE1-CD2 4.08Å; F39-Y104 AromaticContact CE1-CG 3.88Å; F39-Y104 HydrophobicContact CE1-CG 3.88Å; F39-Y104 HydrophobicContact CZ-CD2 4.28Å; F39-W116 HydrophobicContact CB-CH2 4.17Å; F39-W116 HydrophobicContact CB-CZ3 3.93Å; F39-W116 HydrophobicContact CD1-CD2 4.15Å; F39-W116 AromaticContact CD1-CE3 3.8Å; F39-W116 HydrophobicContact CD1-CE3 3.8Å; F39-W116 HydrophobicContact CD1-CH2 4.47Å; F39-W116 AromaticContact CD1-CZ3 3.97Å; F39-W116 HydrophobicContact CD1-CZ3 3.97Å; F39-W116 HydrophobicContact CG-CZ3 4.47Å |
| 40 | D | 91.1 | Very high | 89.8 | Confident | 15 Ų | 15 | 48.8 Ų | 48.8 | 8% | 0.08 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 126.2 | 177.1 | -166.4 | -14 | 0 | 0 | 0 | 110.9 | N42 Y45 V103 Y104 R105 W116 | D40-N42 WeakPolarHBondContact OD1-CA 3.32Å; D40-N42 PolarHBondContact OD1-N 2.69Å; D40-Y45 HydrophobicContact CB-CD1 3.97Å; D40-Y45 HydrophobicContact CB-CE1 3.62Å; D40-Y45 VanDerWaalsContact CG-CE1 3.43Å; D40-V103 HydrophobicContact CB-CG1 4.41Å; D40-Y104 PolarHBondContact N-O 3.47Å; D40-R105 HydrophobicContact CB-CB 4.44Å; D40-W116 WeakPolarHBondContact O-CH2 3.5Å; D40-W116 VanDerWaalsContact O-CZ3 3.32Å; D40-W116 WeakPolarHBondContact O-CZ3 3.39Å |
| 41 | R | 86.6 | Confident | 90.1 | Very high | 38 Ų | 38 | 39.8 Ų | 39.8 | 14% | 0.143 | 20% | 0.203 | C | C | . | . | trans | -117.6 | 26.9 | 175.3 | -60.5 | -177.2 | 178.1 | -95.9 | 0.6 | 111.9 | D43 Y44 T46 W116 | R41-D43 PolarHBondContact O-N 3.4Å; R41-Y44 WeakPolarHBondContact CA-O 3.45Å; R41-Y44 HydrophobicContact CB-CD2 4.36Å; R41-Y44 HydrophobicContact CB-CE1 4.38Å; R41-Y44 HydrophobicContact CB-CE2 4.13Å; R41-Y44 WeakPolarHBondContact CB-O 3.45Å; R41-Y44 VanDerWaalsContact CD-CE2 3.46Å; R41-Y44 HydrophobicContact CG-CE2 4.33Å; R41-Y44 PolarHBondContact N-O 2.95Å; R41-T46 PolarHBondContact NE-OG1 3.05Å; R41-W116 HydrophobicContact CG-CH2 4.32Å | ||
| 42 | N | 83.1 | Confident | 90.3 | Very high | 95 Ų | 95 | 37.7 Ų | 37.7 | 51% | 0.508 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 68.6 | -55.9 | -176.7 | -54.1 | -52.1 | 0 | 0 | 0 | 114.6 | D40 K83 | D40-N42 WeakPolarHBondContact OD1-CA 3.32Å; D40-N42 PolarHBondContact OD1-N 2.69Å; N42-K83 VanDerWaalsContact O-CE 3.28Å; N42-K83 WeakPolarHBondContact O-CE 3.37Å; N42-K83 PolarHBondContact O-NZ 2.91Å |
| 43 | D | 82.6 | Confident | 90.6 | Very high | 125 Ų | 125 | 37.2 Ų | 37.2 | 67% | 0.668 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -87 | -27 | -177.2 | -68.7 | -32.9 | 0 | 0 | 0 | 112.7 | R41 | R41-D43 PolarHBondContact O-N 3.4Š|
| 44 | Y | 88.9 | Confident | 90.9 | Very high | 40 Ų | 40 | 34.6 Ų | 34.6 | 16% | 0.157 | 17% | 0.171 | C | C | . | . | trans | -152.9 | 166.9 | -176.8 | 62.3 | -88.3 | 0 | 0 | 0 | 110.4 | R41 T46 I80 L81 | R41-Y44 WeakPolarHBondContact CA-O 3.45Å; R41-Y44 HydrophobicContact CB-CD2 4.36Å; R41-Y44 HydrophobicContact CB-CE1 4.38Å; R41-Y44 HydrophobicContact CB-CE2 4.13Å; R41-Y44 WeakPolarHBondContact CB-O 3.45Å; R41-Y44 VanDerWaalsContact CD-CE2 3.46Å; R41-Y44 HydrophobicContact CG-CE2 4.33Å; R41-Y44 PolarHBondContact N-O 2.95Å; Y44-T46 HydrophobicContact CD2-CG2 3.84Å; Y44-T46 HydrophobicContact CE2-CG2 3.59Å; Y44-I80 HydrophobicContact CD2-CG2 3.68Å; Y44-I80 HydrophobicContact CE2-CG2 4.33Å; Y44-I80 HydrophobicContact CG-CG2 4.08Å; Y44-L81 WeakPolarHBondContact CB-O 3.41Å | ||
| 45 | Y | 92.3 | Very high | 91.1 | Very high | 30 Ų | 30 | 31.6 Ų | 31.6 | 12% | 0.118 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 151.6 | 176.8 | -64 | -89 | 0 | 0 | 0 | 110.7 | I38 F39 D40 L81 K83 F86 V103 | I38-Y45 HydrophobicContact CG2-CD1 3.92Å; I38-Y45 HydrophobicContact CG2-CG 4.22Å; F39-Y45 CarbonylContact O-C 3.44Å; F39-Y45 VanDerWaalsContact O-CA 3.32Å; F39-Y45 WeakPolarHBondContact O-CA 3.37Å; D40-Y45 HydrophobicContact CB-CD1 3.97Å; D40-Y45 HydrophobicContact CB-CE1 3.62Å; D40-Y45 VanDerWaalsContact CG-CE1 3.43Å; Y45-L81 PolarHBondContact N-O 2.54Å; Y45-L81 PolarHBondContact O-N 2.71Å; Y45-K83 HydrophobicContact CE2-CG 4.25Å; Y45-F86 HydrophobicContact CD1-CD2 4.02Å; Y45-F86 HydrophobicContact CD1-CE2 4.03Å; Y45-F86 HydrophobicContact CD1-CG 4.31Å; Y45-F86 HydrophobicContact CD1-CZ 4.33Å; Y45-F86 HydrophobicContact CD2-CB 3.51Å; Y45-F86 AromaticContact CD2-CD1 3.75Å; Y45-F86 HydrophobicContact CD2-CD1 3.75Å; Y45-F86 AromaticContact CD2-CD2 3.96Å; Y45-F86 HydrophobicContact CD2-CD2 3.96Å; Y45-F86 HydrophobicContact CD2-CE1 4.41Å; Y45-F86 AromaticContact CD2-CG 3.46Å; Y45-F86 HydrophobicContact CD2-CG 3.46Å; Y45-F86 VanDerWaalsContact CD2-CG 3.46Å; Y45-F86 HydrophobicContact CE1-CD1 4.41Å; Y45-F86 HydrophobicContact CE1-CD2 4.44Å; Y45-F86 HydrophobicContact CE1-CE1 4.15Å; Y45-F86 HydrophobicContact CE1-CE2 4.17Å; Y45-F86 HydrophobicContact CE1-CZ 4Å; Y45-F86 HydrophobicContact CE2-CB 4.09Å; Y45-F86 AromaticContact CE2-CD1 3.46Å; Y45-F86 HydrophobicContact CE2-CD1 3.46Å; Y45-F86 VanDerWaalsContact CE2-CD1 3.46Å; Y45-F86 HydrophobicContact CE2-CD2 4.38Å; Y45-F86 AromaticContact CE2-CE1 3.88Å; Y45-F86 HydrophobicContact CE2-CE1 3.88Å; Y45-F86 AromaticContact CE2-CG 3.72Å; Y45-F86 HydrophobicContact CE2-CG 3.72Å; Y45-F86 HydrophobicContact CE2-CZ 4.47Å; Y45-F86 HydrophobicContact CG-CB 4.04Å; Y45-F86 HydrophobicContact CG-CD1 4.34Å; Y45-F86 AromaticContact CG-CD2 3.78Å; Y45-F86 HydrophobicContact CG-CD2 3.78Å; Y45-F86 HydrophobicContact CG-CE2 4.27Å; Y45-F86 AromaticContact CG-CG 3.8Å; Y45-F86 HydrophobicContact CG-CG 3.8Å; Y45-F86 AromaticContact CZ-CD1 3.86Å; Y45-F86 AromaticContact CZ-CE1 3.75Å; Y45-V103 HydrophobicContact CE1-CG1 4.46Å |
| 46 | T | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 142.2 | 173.4 | 55.9 | 0 | 0 | 0 | 0 | 112.1 | L11 F39 R41 Y44 H48 V79 I80 | L11-T46 HydrophobicContact CD1-CG2 4.02Å; F39-T46 PolarHBondContact N-O 2.83Å; F39-T46 PolarHBondContact O-N 3.29Å; R41-T46 PolarHBondContact NE-OG1 3.05Å; Y44-T46 HydrophobicContact CD2-CG2 3.84Å; Y44-T46 HydrophobicContact CE2-CG2 3.59Å; T46-H48 WeakPolarHBondContact CB-NE2 3.48Å; T46-H48 PolarHBondContact OG1-NE2 3.37Å; T46-H48 VanDerWaalsContact OG1-NE2 3.08Å; T46-V79 WeakPolarHBondContact CA-O 3.36Å; T46-I80 HydrophobicContact CG2-CG1 4.42Å |
| 47 | V | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 151.2 | 171.5 | -69.6 | 0 | 0 | 0 | 0 | 109.3 | I38 D51 A52 A55 S78 V79 L81 | I38-V47 HydrophobicContact CB-CG1 4.29Å; I38-V47 HydrophobicContact CG1-CG1 3.82Å; I38-V47 HydrophobicContact CG2-CG1 4.2Å; V47-D51 HydrophobicContact CB-CB 4.39Å; V47-A52 HydrophobicContact CG2-CB 4.35Å; V47-A55 HydrophobicContact CG2-CB 3.76Å; V47-S78 WeakPolarHBondContact O-CA 3.4Å; V47-V79 HydrophobicContact CG2-CB 3.83Å; V47-V79 HydrophobicContact CG2-CG1 4.45Å; V47-V79 PolarHBondContact N-O 3.08Å; V47-V79 VanDerWaalsContact N-O 3.12Å; V47-V79 PolarHBondContact O-N 2.77Å; V47-L81 HydrophobicContact CG1-CD1 4.04Å; V47-L81 HydrophobicContact CG2-CD1 4.38Å |
| 48 | H | 93.3 | Very high | 90.8 | Very high | 13 Ų | 13 | 38 Ų | 38 | 6% | 0.06 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 155.3 | -169.2 | -57.8 | -76.8 | 0 | 0 | 0 | 114.1 | F21 F39 T46 D51 L76 E77 S78 | F21-H48 AromaticContact CE1-CD2 3.86Å; F21-H48 AromaticContact CE1-CE1 3.58Å; F21-H48 AromaticContact CE1-NE2 3.44Å; F21-H48 WeakPolarHBondContact CE1-NE2 3.3Å; F21-H48 AromaticContact CZ-CD2 3.62Å; F21-H48 AromaticContact CZ-CE1 3.95Å; F21-H48 AromaticContact CZ-NE2 3.3Å; F21-H48 VanDerWaalsContact CZ-NE2 3.3Å; F21-H48 WeakPolarHBondContact CZ-NE2 3.46Å; F39-H48 AromaticContact CD2-CD2 3.47Å; F39-H48 VanDerWaalsContact CD2-CD2 3.47Å; F39-H48 WeakPolarHBondContact CD2-CD2 3.42Å; F39-H48 AromaticContact CD2-NE2 3.96Å; F39-H48 AromaticContact CE2-CD2 3.75Å; T46-H48 WeakPolarHBondContact CB-NE2 3.48Å; T46-H48 PolarHBondContact OG1-NE2 3.37Å; T46-H48 VanDerWaalsContact OG1-NE2 3.08Å; H48-D51 PolarHBondContact O-N 3.18Å; H48-L76 HydrophobicContact CB-CD1 4.14Å; H48-L76 HydrophobicContact CB-CD2 3.91Å; H48-L76 HydrophobicContact CB-CG 4.04Å; H48-E77 CarbonylContact C-O 3.6Å; H48-E77 WeakPolarHBondContact CA-O 3.39Å; H48-S78 PolarHBondContact CE1-OG 3.49Å; H48-S78 WeakPolarHBondContact ND1-CB 3.3Å; H48-S78 PolarHBondContact ND1-OG 3.08Å |
| 49 | G | 91.4 | Very high | 90.5 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 13% | 0.134 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | -130.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D51 A52 I53 E77 | G49-D51 PolarHBondContact O-N 2.83Å; G49-A52 WeakPolarHBondContact O-CB 3.28Å; G49-A52 PolarHBondContact O-N 3.32Å; G49-I53 PolarHBondContact O-N 3.38Å; G49-E77 PolarHBondContact N-O 3.4Å |
| 50 | K | 90.5 | Very high | 90.3 | Very high | 137 Ų | 137 | 40.3 Ų | 40.3 | 60% | 0.596 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -55.7 | -38.2 | 176.8 | -70.7 | -178.4 | 173.4 | -179.9 | 0 | 112.4 | D33 A52 I53 F54 | D33-K50 IonicContact OD1-NZ 3.32Å; D33-K50 PolarHBondContact OD1-NZ 2.89Å; D33-K50 IonicContact OD2-NZ 2.75Å; K50-A52 VanDerWaalsContact C-N 3.33Å; K50-A52 PolarHBondContact O-N 3.04Å; K50-I53 PolarHBondContact O-N 3.08Å; K50-F54 PolarHBondContact O-N 3.42Å |
| 51 | D | 93 | Very high | 90.3 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.032 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.1 | -35.3 | -177.5 | -60.7 | 0.6 | 0 | 0 | 0 | 111 | K31 F36 R37 V47 H48 G49 F54 A55 | K31-D51 WeakPolarHBondContact CE-OD1 3.32Å; K31-D51 WeakPolarHBondContact CE-OD2 3.43Å; K31-D51 VanDerWaalsContact NZ-CG 3.28Å; K31-D51 IonicContact NZ-OD1 2.86Å; K31-D51 PolarHBondContact NZ-OD1 2.9Å; K31-D51 IonicContact NZ-OD2 4Å; K31-D51 PolarHBondContact NZ-OD2 3.15Å; K31-D51 VanDerWaalsContact NZ-OD2 3.1Å; F36-D51 WeakPolarHBondContact CA-OD2 3.37Å; F36-D51 HydrophobicContact CD1-CB 3.74Å; F36-D51 HydrophobicContact CE1-CB 3.87Å; R37-D51 PolarHBondContact N-OD2 3.22Å; V47-D51 HydrophobicContact CB-CB 4.39Å; H48-D51 PolarHBondContact O-N 3.18Å; G49-D51 PolarHBondContact O-N 2.83Å; D51-F54 PolarHBondContact O-N 3.39Å; D51-A55 WeakPolarHBondContact O-CB 3.38Å; D51-A55 PolarHBondContact O-N 3.05Å |
| 52 | A | 92.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.9 | -43.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V47 G49 K50 F54 A55 A56 E77 V79 | V47-A52 HydrophobicContact CG2-CB 4.35Å; G49-A52 WeakPolarHBondContact O-CB 3.28Å; G49-A52 PolarHBondContact O-N 3.32Å; K50-A52 VanDerWaalsContact C-N 3.33Å; K50-A52 PolarHBondContact O-N 3.04Å; A52-F54 VanDerWaalsContact C-N 3.3Å; A52-F54 PolarHBondContact O-N 3.13Å; A52-A55 PolarHBondContact O-N 3.07Å; A52-A56 WeakPolarHBondContact O-CB 3.29Å; A52-A56 PolarHBondContact O-N 3.26Å; A52-E77 HydrophobicContact CB-CB 4.06Å; A52-V79 HydrophobicContact CB-CB 4.35Å; A52-V79 HydrophobicContact CB-CG2 3.92Å; A52-V79 WeakPolarHBondContact O-CG2 3.43Å |
| 53 | I | 92.3 | Very high | 90.6 | Very high | 60 Ų | 60 | 48.3 Ų | 48.3 | 31% | 0.308 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.9 | -41 | 177.9 | -60.3 | 169.4 | 0 | 0 | 0 | 110.1 | G49 K50 K57 I66 E77 | G49-I53 PolarHBondContact O-N 3.38Å; K50-I53 PolarHBondContact O-N 3.08Å; I53-K57 WeakPolarHBondContact O-CG 3.39Å; I53-K57 PolarHBondContact O-N 3.4Å; I53-I66 HydrophobicContact CG1-CD1 4.3Å; I53-E77 HydrophobicContact CD1-CG 4.26Å; I53-E77 HydrophobicContact CG1-CB 4.45Å; I53-E77 HydrophobicContact CG1-CG 4.16Å |
| 54 | F | 92.1 | Very high | 90.8 | Very high | 49 Ų | 49 | 45.2 Ų | 45.2 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.2 | -49.2 | 176.5 | -173.5 | -87.8 | 0 | 0 | 0 | 111.8 | F36 K50 D51 A52 A56 K57 E58 F89 L93 Y99 | F36-F54 HydrophobicContact CE1-CB 3.91Å; F36-F54 AromaticContact CE1-CD1 3.49Å; F36-F54 HydrophobicContact CE1-CD1 3.49Å; F36-F54 VanDerWaalsContact CE1-CD1 3.49Å; F36-F54 HydrophobicContact CE1-CE1 4.23Å; F36-F54 AromaticContact CE1-CG 3.88Å; F36-F54 HydrophobicContact CE1-CG 3.88Å; F36-F54 HydrophobicContact CE2-CD1 4.45Å; F36-F54 HydrophobicContact CZ-CB 3.92Å; F36-F54 AromaticContact CZ-CD1 3.32Å; F36-F54 HydrophobicContact CZ-CD1 3.32Å; F36-F54 HydrophobicContact CZ-CD2 4.19Å; F36-F54 AromaticContact CZ-CE1 3.79Å; F36-F54 HydrophobicContact CZ-CE1 3.79Å; F36-F54 AromaticContact CZ-CG 3.54Å; F36-F54 HydrophobicContact CZ-CG 3.54Å; F36-F54 HydrophobicContact CZ-CZ 4.4Å; K50-F54 PolarHBondContact O-N 3.42Å; D51-F54 PolarHBondContact O-N 3.39Å; A52-F54 VanDerWaalsContact C-N 3.3Å; A52-F54 PolarHBondContact O-N 3.13Å; F54-A56 VanDerWaalsContact C-N 3.3Å; F54-A56 PolarHBondContact O-N 2.89Å; F54-K57 PolarHBondContact O-N 3.49Å; F54-K57 VanDerWaalsContact O-N 3.11Å; F54-E58 HydrophobicContact CD1-CG 4.02Å; F54-E58 HydrophobicContact CE1-CB 4.25Å; F54-E58 HydrophobicContact CE1-CG 3.53Å; F54-E58 HydrophobicContact CE2-CG 4.24Å; F54-E58 HydrophobicContact CZ-CG 3.65Å; F54-E58 PolarHBondContact O-N 3.27Å; F54-F89 AromaticContact CD1-CE2 3.93Å; F54-F89 HydrophobicContact CD1-CE2 3.93Å; F54-F89 AromaticContact CD1-CZ 3.97Å; F54-F89 HydrophobicContact CD1-CZ 3.97Å; F54-F89 HydrophobicContact CE1-CE2 4Å; F54-F89 HydrophobicContact CE1-CZ 4.36Å; F54-L93 HydrophobicContact CE1-CD2 3.82Å; F54-Y99 HydrophobicContact CE2-CE2 4.46Å; F54-Y99 HydrophobicContact CZ-CE2 4.18Å |
| 55 | A | 91.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.2 | -36.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V47 D51 A52 K57 E58 V59 F89 | V47-A55 HydrophobicContact CG2-CB 3.76Å; D51-A55 WeakPolarHBondContact O-CB 3.38Å; D51-A55 PolarHBondContact O-N 3.05Å; A52-A55 PolarHBondContact O-N 3.07Å; A55-K57 VanDerWaalsContact C-N 3.32Å; A55-K57 PolarHBondContact O-N 3.05Å; A55-E58 PolarHBondContact O-N 3.34Å; A55-V59 VanDerWaalsContact O-CB 3.32Å; A55-V59 WeakPolarHBondContact O-CB 3.38Å; A55-V59 PolarHBondContact O-N 2.85Å; A55-F89 HydrophobicContact CB-CE1 4.05Å; A55-F89 HydrophobicContact CB-CE2 4.21Å; A55-F89 HydrophobicContact CB-CZ 3.78Å |
| 56 | A | 91.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.4 | -41.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A52 F54 F60 K61 T62 V65 I66 V79 | A52-A56 WeakPolarHBondContact O-CB 3.29Å; A52-A56 PolarHBondContact O-N 3.26Å; F54-A56 VanDerWaalsContact C-N 3.3Å; F54-A56 PolarHBondContact O-N 2.89Å; A56-F60 CarbonylContact O-C 3.53Å; A56-F60 PolarHBondContact O-N 2.9Å; A56-K61 PolarHBondContact O-N 3.38Å; A56-T62 PolarHBondContact O-N 3.12Å; A56-T62 VanDerWaalsContact O-N 3.17Å; A56-V65 HydrophobicContact CB-CG2 3.66Å; A56-I66 HydrophobicContact CB-CD1 3.9Å; A56-I66 HydrophobicContact CB-CG1 3.68Å; A56-V79 HydrophobicContact CB-CG2 4.2Å |
| 57 | K | 91 | Very high | 90.6 | Very high | 116 Ų | 116 | 48 Ų | 48 | 50% | 0.504 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -73.6 | -43 | 177.2 | -69.2 | 179.2 | -176.9 | -179.5 | 0 | 112.3 | I53 F54 A55 K61 | I53-K57 WeakPolarHBondContact O-CG 3.39Å; I53-K57 PolarHBondContact O-N 3.4Å; F54-K57 PolarHBondContact O-N 3.49Å; F54-K57 VanDerWaalsContact O-N 3.11Å; A55-K57 VanDerWaalsContact C-N 3.32Å; A55-K57 PolarHBondContact O-N 3.05Å; K57-K61 VanDerWaalsContact O-CA 3.3Å; K57-K61 WeakPolarHBondContact O-CA 3.23Å; K57-K61 VanDerWaalsContact O-CD 3.28Å; K57-K61 WeakPolarHBondContact O-CD 3.28Å; K57-K61 PolarHBondContact O-N 3.01Å |
| 58 | E | 88.4 | Confident | 90.3 | Very high | 56 Ų | 56 | 53.6 Ų | 53.6 | 26% | 0.262 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -81.6 | -44.4 | -174.1 | -71.4 | -56.7 | 161.5 | 0 | 0 | 113.8 | F54 A55 K61 F89 | F54-E58 HydrophobicContact CD1-CG 4.02Å; F54-E58 HydrophobicContact CE1-CB 4.25Å; F54-E58 HydrophobicContact CE1-CG 3.53Å; F54-E58 HydrophobicContact CE2-CG 4.24Å; F54-E58 HydrophobicContact CZ-CG 3.65Å; F54-E58 PolarHBondContact O-N 3.27Å; A55-E58 PolarHBondContact O-N 3.34Å; E58-K61 WeakPolarHBondContact O-CE 3.4Å; E58-K61 PolarHBondContact O-NZ 2.87Å; E58-K61 VanDerWaalsContact O-NZ 3.09Å; E58-K61 IonicContact OE2-NZ 2.82Å; E58-K61 PolarHBondContact OE2-NZ 3.17Å; E58-F89 HydrophobicContact CB-CE2 4.47Å |
| 59 | V | 89.1 | Confident | 89.9 | Confident | 29 Ų | 29 | 53.2 Ų | 53.2 | 18% | 0.176 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -47.3 | -175.2 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | A55 L81 N85 F89 | A55-V59 VanDerWaalsContact O-CB 3.32Å; A55-V59 WeakPolarHBondContact O-CB 3.38Å; A55-V59 PolarHBondContact O-N 2.85Å; V59-L81 HydrophobicContact CG1-CD2 4.39Å; V59-L81 HydrophobicContact CG2-CD2 4.4Å; V59-N85 HydrophobicContact CG1-CB 4.12Å; V59-F89 HydrophobicContact CG2-CB 3.73Å; V59-F89 HydrophobicContact CG2-CD2 3.36Å; V59-F89 HydrophobicContact CG2-CE2 4.11Å; V59-F89 HydrophobicContact CG2-CG 3.68Å |
| 60 | F | 87.7 | Confident | 89.4 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -101.1 | -12.6 | -171.4 | -59.6 | -81.8 | 0 | 0 | 0 | 113.6 | A2 Q4 A56 T62 V65 V79 I80 L81 | A2-F60 HydrophobicContact CB-CD1 4.43Å; Q4-F60 HydrophobicContact CG-CE1 4.21Å; A56-F60 CarbonylContact O-C 3.53Å; A56-F60 PolarHBondContact O-N 2.9Å; F60-T62 HydrophobicContact CB-CG2 4.1Å; F60-T62 PolarHBondContact O-N 2.83Å; F60-T62 VanDerWaalsContact O-N 3.1Å; F60-V65 HydrophobicContact CB-CG1 3.86Å; F60-V65 HydrophobicContact CB-CG2 4.03Å; F60-V65 HydrophobicContact CD1-CG1 3.98Å; F60-V65 HydrophobicContact CD2-CB 4.38Å; F60-V65 HydrophobicContact CD2-CG1 4.3Å; F60-V65 HydrophobicContact CD2-CG2 3.78Å; F60-V65 HydrophobicContact CE2-CG2 4.45Å; F60-V65 HydrophobicContact CG-CB 4.36Å; F60-V65 HydrophobicContact CG-CG1 3.79Å; F60-V65 HydrophobicContact CG-CG2 4Å; F60-V79 HydrophobicContact CD2-CG1 4.17Å; F60-V79 HydrophobicContact CE2-CG1 3.61Å; F60-I80 WeakPolarHBondContact CZ-O 3.25Å; F60-L81 HydrophobicContact CE2-CD2 3.75Å; F60-L81 HydrophobicContact CZ-CD2 4.12Å |
| 61 | K | 90.6 | Very high | 88.7 | Confident | 148 Ų | 148 | 52.3 Ų | 52.3 | 64% | 0.643 | 28% | 0.281 | S | S | * | . | S | Bend | trans | 53.6 | 27.6 | -177.3 | -52.1 | -75.9 | 164.3 | -157.5 | 0 | 112.5 | A56 K57 E58 | A56-K61 PolarHBondContact O-N 3.38Å; K57-K61 VanDerWaalsContact O-CA 3.3Å; K57-K61 WeakPolarHBondContact O-CA 3.23Å; K57-K61 VanDerWaalsContact O-CD 3.28Å; K57-K61 WeakPolarHBondContact O-CD 3.28Å; K57-K61 PolarHBondContact O-N 3.01Å; E58-K61 WeakPolarHBondContact O-CE 3.4Å; E58-K61 PolarHBondContact O-NZ 2.87Å; E58-K61 VanDerWaalsContact O-NZ 3.09Å; E58-K61 IonicContact OE2-NZ 2.82Å; E58-K61 PolarHBondContact OE2-NZ 3.17Å |
| 62 | T | 88.7 | Confident | 87.8 | Confident | 71 Ų | 71 | 55.3 Ų | 55.3 | 44% | 0.436 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -156.1 | 144.4 | -179.6 | -175.7 | 0 | 0 | 0 | 0 | 112 | A56 F60 G64 V65 | A56-T62 PolarHBondContact O-N 3.12Å; A56-T62 VanDerWaalsContact O-N 3.17Å; F60-T62 HydrophobicContact CB-CG2 4.1Å; F60-T62 PolarHBondContact O-N 2.83Å; F60-T62 VanDerWaalsContact O-N 3.1Å; T62-G64 VanDerWaalsContact C-N 3.29Å; T62-G64 PolarHBondContact OG1-N 3.33Å; T62-V65 HydrophobicContact CG2-CG1 4Å |
| 63 | N | 88.3 | Confident | 86.6 | Confident | 98 Ų | 98 | 61.5 Ų | 61.5 | 52% | 0.524 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -80 | -9.5 | 174.1 | -67.3 | -19.5 | 0 | 0 | 0 | 113.1 | V65 I66 | N63-V65 PolarHBondContact O-N 3.02Å; N63-V65 VanDerWaalsContact O-N 3.11Å; N63-I66 HydrophobicContact CB-CD1 4.25Å; N63-I66 PolarHBondContact O-N 3.18Å; N63-I66 VanDerWaalsContact O-N 3.14Å |
| 64 | G | 86.3 | Confident | 85.9 | Confident | 59 Ų | 59 | 63.7 Ų | 63.7 | 61% | 0.608 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -65.2 | -14.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | T62 | T62-G64 VanDerWaalsContact C-N 3.29Å; T62-G64 PolarHBondContact OG1-N 3.33Å |
| 65 | V | 88.7 | Confident | 85.5 | Confident | 9 Ų | 9 | 66.4 Ų | 66.4 | 6% | 0.055 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -82.9 | -13.9 | 177.7 | -58.6 | 0 | 0 | 0 | 0 | 113.5 | Q4 A56 F60 T62 N63 K67 V79 | Q4-V65 HydrophobicContact CG-CG1 4.29Å; A56-V65 HydrophobicContact CB-CG2 3.66Å; F60-V65 HydrophobicContact CB-CG1 3.86Å; F60-V65 HydrophobicContact CB-CG2 4.03Å; F60-V65 HydrophobicContact CD1-CG1 3.98Å; F60-V65 HydrophobicContact CD2-CB 4.38Å; F60-V65 HydrophobicContact CD2-CG1 4.3Å; F60-V65 HydrophobicContact CD2-CG2 3.78Å; F60-V65 HydrophobicContact CE2-CG2 4.45Å; F60-V65 HydrophobicContact CG-CB 4.36Å; F60-V65 HydrophobicContact CG-CG1 3.79Å; F60-V65 HydrophobicContact CG-CG2 4Å; T62-V65 HydrophobicContact CG2-CG1 4Å; N63-V65 PolarHBondContact O-N 3.02Å; N63-V65 VanDerWaalsContact O-N 3.11Å; V65-K67 PolarHBondContact O-N 2.94Å; V65-V79 HydrophobicContact CG2-CG1 4.24Å; V65-V79 HydrophobicContact CG2-CG2 4.18Å |
| 66 | I | 91.3 | Very high | 85.3 | Confident | 22 Ų | 22 | 67 Ų | 67 | 11% | 0.113 | 38% | 0.376 | C | S | . | . | trans | -71.9 | 121.1 | -177.5 | -58.8 | 173.3 | 0 | 0 | 0 | 109.4 | I53 A56 N63 Y68 E77 V79 | I53-I66 HydrophobicContact CG1-CD1 4.3Å; A56-I66 HydrophobicContact CB-CD1 3.9Å; A56-I66 HydrophobicContact CB-CG1 3.68Å; N63-I66 HydrophobicContact CB-CD1 4.25Å; N63-I66 PolarHBondContact O-N 3.18Å; N63-I66 VanDerWaalsContact O-N 3.14Å; I66-Y68 HydrophobicContact CG2-CE1 4.44Å; I66-E77 HydrophobicContact CG2-CB 3.85Å; I66-E77 HydrophobicContact CG2-CG 4.01Å; I66-V79 HydrophobicContact CG1-CG2 3.99Å | ||
| 67 | K | 89.9 | Confident | 85.3 | Confident | 97 Ų | 97 | 69.6 Ų | 69.6 | 42% | 0.422 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 162.6 | 169.1 | -57.5 | -58.4 | -179.6 | -177.9 | 0 | 109.4 | V65 E77 S78 | V65-K67 PolarHBondContact O-N 2.94Å; K67-E77 CarbonylContact O-C 3.56Å; K67-E77 WeakPolarHBondContact O-CA 3.45Å; K67-S78 PolarHBondContact N-O 2.88Å; K67-S78 PolarHBondContact O-N 2.72Å |
| 68 | Y | 87.8 | Confident | 85.4 | Confident | 118 Ų | 118 | 64 Ų | 64 | 46% | 0.463 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.4 | 179.1 | -62.1 | -84.4 | 0 | 0 | 0 | 109.2 | I66 K75 L76 E77 | I66-Y68 HydrophobicContact CG2-CE1 4.44Å; Y68-K75 HydrophobicContact CD1-CD 3.74Å; Y68-K75 HydrophobicContact CD1-CG 3.78Å; Y68-K75 HydrophobicContact CE1-CD 4.18Å; Y68-K75 VanDerWaalsContact CE1-NZ 3.33Å; Y68-K75 HydrophobicContact CG-CD 4.24Å; Y68-K75 HydrophobicContact CG-CG 4.24Å; Y68-L76 WeakPolarHBondContact CA-O 3.46Å; Y68-E77 HydrophobicContact CD1-CG 4.26Å; Y68-E77 HydrophobicContact CE1-CG 3.82Å |
| 69 | L | 85 | Confident | 85.7 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 143.4 | 168.5 | -63.9 | 173.9 | 0 | 0 | 0 | 109 | L11 L13 E18 F21 L22 L76 S78 | L11-L69 HydrophobicContact CD2-CD1 4.24Å; L11-L69 HydrophobicContact CD2-CD2 4.08Å; L13-L69 HydrophobicContact CD1-CD2 4.44Å; E18-L69 HydrophobicContact CG-CB 4.44Å; E18-L69 HydrophobicContact CG-CD2 4.2Å; E18-L69 WeakPolarHBondContact OE1-CA 3.31Å; F21-L69 HydrophobicContact CD1-CD1 4.31Å; F21-L69 HydrophobicContact CE1-CD1 4.32Å; L22-L69 HydrophobicContact CD2-CB 4.23Å; L69-L76 HydrophobicContact CB-CB 4.46Å; L69-L76 PolarHBondContact N-O 3.24Å; L69-L76 PolarHBondContact O-N 2.93Å; L69-S78 WeakPolarHBondContact CD1-OG 3.41Å; L69-S78 WeakPolarHBondContact CG-OG 3.42Å |
| 70 | G | 80.8 | Confident | 85.9 | Confident | 27 Ų | 27 | 60.9 Ų | 60.9 | 28% | 0.278 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 79 | 178 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E18 | E18-G70 PolarHBondContact OE1-N 3Š|
| 71 | S | 75.5 | Confident | 86 | Confident | 104 Ų | 104 | 59.8 Ų | 59.8 | 73% | 0.727 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -133.1 | 151.6 | -178.9 | 60.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 72 | G | 74.9 | Confident | 86 | Confident | 69 Ų | 69 | 54.1 Ų | 54.1 | 71% | 0.711 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | 69.3 | -129.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R74 | G72-R74 VanDerWaalsContact C-N 3.27Å; G72-R74 PolarHBondContact O-N 3.4Å |
| 73 | S | 67.3 | Low | 85.9 | Confident | 130 Ų | 130 | 55.9 Ų | 55.9 | 91% | 0.909 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -74.4 | -10.2 | -177.5 | 55.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 74 | R | 76.2 | Confident | 85.8 | Confident | 106 Ų | 106 | 57.5 Ų | 57.5 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -110.7 | 45.4 | 177.1 | -72.2 | -175 | 165.6 | -163.2 | -6.9 | 111.5 | N23 F26 G72 | N23-R74 PolarHBondContact OD1-NH1 3.01Å; F26-R74 HydrophobicContact CE2-CB 3.99Å; F26-R74 HydrophobicContact CE2-CG 4.06Å; F26-R74 HydrophobicContact CZ-CB 4.43Å; G72-R74 VanDerWaalsContact C-N 3.27Å; G72-R74 PolarHBondContact O-N 3.4Å |
| 75 | K | 83.8 | Confident | 86 | Confident | 105 Ų | 105 | 55.7 Ų | 55.7 | 46% | 0.457 | 31% | 0.308 | S | S | . | . | trans | -84.1 | 126.3 | 175.7 | -162.2 | -171.8 | -167.2 | -152.7 | 0 | 109.1 | Y68 | Y68-K75 HydrophobicContact CD1-CD 3.74Å; Y68-K75 HydrophobicContact CD1-CG 3.78Å; Y68-K75 HydrophobicContact CE1-CD 4.18Å; Y68-K75 VanDerWaalsContact CE1-NZ 3.33Å; Y68-K75 HydrophobicContact CG-CD 4.24Å; Y68-K75 HydrophobicContact CG-CG 4.24Å | ||
| 76 | L | 88.8 | Confident | 86.1 | Confident | 13 Ų | 13 | 55.5 Ų | 55.5 | 7% | 0.068 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 117.2 | -177.2 | -176.4 | 67 | 0 | 0 | 0 | 110.7 | L22 I25 H48 Y68 L69 S78 | L22-L76 HydrophobicContact CD2-CB 3.8Å; L22-L76 HydrophobicContact CD2-CD2 3.75Å; L22-L76 HydrophobicContact CD2-CG 4.44Å; I25-L76 HydrophobicContact CB-CD2 4.42Å; I25-L76 HydrophobicContact CG1-CD2 4.38Å; I25-L76 HydrophobicContact CG2-CD1 4.39Å; I25-L76 HydrophobicContact CG2-CD2 3.97Å; H48-L76 HydrophobicContact CB-CD1 4.14Å; H48-L76 HydrophobicContact CB-CD2 3.91Å; H48-L76 HydrophobicContact CB-CG 4.04Å; Y68-L76 WeakPolarHBondContact CA-O 3.46Å; L69-L76 HydrophobicContact CB-CB 4.46Å; L69-L76 PolarHBondContact N-O 3.24Å; L69-L76 PolarHBondContact O-N 2.93Å; L76-S78 PolarHBondContact O-OG 3.05Å |
| 77 | E | 92.5 | Very high | 85.9 | Confident | 54 Ų | 54 | 57.9 Ų | 57.9 | 25% | 0.252 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 136.8 | 171 | -63.4 | 75.9 | -166.6 | 0 | 0 | 110 | H48 G49 A52 I53 I66 K67 Y68 | H48-E77 CarbonylContact C-O 3.6Å; H48-E77 WeakPolarHBondContact CA-O 3.39Å; G49-E77 PolarHBondContact N-O 3.4Å; A52-E77 HydrophobicContact CB-CB 4.06Å; I53-E77 HydrophobicContact CD1-CG 4.26Å; I53-E77 HydrophobicContact CG1-CB 4.45Å; I53-E77 HydrophobicContact CG1-CG 4.16Å; I66-E77 HydrophobicContact CG2-CB 3.85Å; I66-E77 HydrophobicContact CG2-CG 4.01Å; K67-E77 CarbonylContact O-C 3.56Å; K67-E77 WeakPolarHBondContact O-CA 3.45Å; Y68-E77 HydrophobicContact CD1-CG 4.26Å; Y68-E77 HydrophobicContact CE1-CG 3.82Å |
| 78 | S | 92.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 134.3 | -175.5 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | V47 H48 K67 L69 L76 | V47-S78 WeakPolarHBondContact O-CA 3.4Å; H48-S78 PolarHBondContact CE1-OG 3.49Å; H48-S78 WeakPolarHBondContact ND1-CB 3.3Å; H48-S78 PolarHBondContact ND1-OG 3.08Å; K67-S78 PolarHBondContact N-O 2.88Å; K67-S78 PolarHBondContact O-N 2.72Å; L69-S78 WeakPolarHBondContact CD1-OG 3.41Å; L69-S78 WeakPolarHBondContact CG-OG 3.42Å; L76-S78 PolarHBondContact O-OG 3.05Å |
| 79 | V | 94.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 139.2 | 176.1 | 173 | 0 | 0 | 0 | 0 | 109.7 | T46 V47 A52 A56 F60 V65 I66 L81 | T46-V79 WeakPolarHBondContact CA-O 3.36Å; V47-V79 HydrophobicContact CG2-CB 3.83Å; V47-V79 HydrophobicContact CG2-CG1 4.45Å; V47-V79 PolarHBondContact N-O 3.08Å; V47-V79 VanDerWaalsContact N-O 3.12Å; V47-V79 PolarHBondContact O-N 2.77Å; A52-V79 HydrophobicContact CB-CB 4.35Å; A52-V79 HydrophobicContact CB-CG2 3.92Å; A52-V79 WeakPolarHBondContact O-CG2 3.43Å; A56-V79 HydrophobicContact CB-CG2 4.2Å; F60-V79 HydrophobicContact CD2-CG1 4.17Å; F60-V79 HydrophobicContact CE2-CG1 3.61Å; V65-V79 HydrophobicContact CG2-CG1 4.24Å; V65-V79 HydrophobicContact CG2-CG2 4.18Å; I66-V79 HydrophobicContact CG1-CG2 3.99Å; V79-L81 HydrophobicContact CG1-CD2 4.46Å |
| 80 | I | 92.5 | Very high | 86 | Confident | 19 Ų | 19 | 50.3 Ų | 50.3 | 10% | 0.097 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 128.5 | 176.2 | -59.1 | 174.9 | 0 | 0 | 0 | 109.1 | L11 Y44 T46 F60 | L11-I80 HydrophobicContact CB-CD1 4.32Å; L11-I80 HydrophobicContact CD1-CD1 3.87Å; L11-I80 HydrophobicContact CD1-CG1 3.55Å; L11-I80 HydrophobicContact CG-CD1 4.16Å; L11-I80 HydrophobicContact CG-CG1 4.29Å; Y44-I80 HydrophobicContact CD2-CG2 3.68Å; Y44-I80 HydrophobicContact CE2-CG2 4.33Å; Y44-I80 HydrophobicContact CG-CG2 4.08Å; T46-I80 HydrophobicContact CG2-CG1 4.42Å; F60-I80 WeakPolarHBondContact CZ-O 3.25Å |
| 81 | L | 91.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 123.8 | 173.2 | -61.4 | 172.7 | 0 | 0 | 0 | 108.7 | Y44 Y45 V47 V59 F60 V79 N85 F86 F89 | Y44-L81 WeakPolarHBondContact CB-O 3.41Å; Y45-L81 PolarHBondContact N-O 2.54Å; Y45-L81 PolarHBondContact O-N 2.71Å; V47-L81 HydrophobicContact CG1-CD1 4.04Å; V47-L81 HydrophobicContact CG2-CD1 4.38Å; V59-L81 HydrophobicContact CG1-CD2 4.39Å; V59-L81 HydrophobicContact CG2-CD2 4.4Å; F60-L81 HydrophobicContact CE2-CD2 3.75Å; F60-L81 HydrophobicContact CZ-CD2 4.12Å; V79-L81 HydrophobicContact CG1-CD2 4.46Å; L81-N85 HydrophobicContact CB-CB 4.49Å; L81-N85 HydrophobicContact CD2-CB 4.21Å; L81-F86 HydrophobicContact CB-CB 4.21Å; L81-F89 HydrophobicContact CD1-CD1 3.9Å; L81-F89 HydrophobicContact CD1-CE1 4.49Å |
| 82 | S | 90.7 | Very high | 86.7 | Confident | 29 Ų | 29 | 49.7 Ų | 49.7 | 20% | 0.203 | 28% | 0.276 | C | S | . | . | trans | -64.5 | 164 | 164.2 | 62.6 | 0 | 0 | 0 | 0 | 109.7 | L84 N85 F86 | S82-L84 VanDerWaalsContact C-N 3.33Å; S82-L84 PolarHBondContact O-N 2.86Å; S82-N85 PolarHBondContact O-N 2.97Å; S82-N85 VanDerWaalsContact O-N 3.11Å; S82-N85 WeakPolarHBondContact OG-CB 3.36Å; S82-N85 VanDerWaalsContact OG-CG 3.32Å; S82-N85 PolarHBondContact OG-N 3.22Å; S82-N85 PolarHBondContact OG-ND2 3.27Å; S82-F86 WeakPolarHBondContact O-CB 3.36Å; S82-F86 PolarHBondContact O-N 2.99Å | ||
| 83 | K | 87 | Confident | 87.3 | Confident | 109 Ų | 109 | 46.4 Ų | 46.4 | 47% | 0.474 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -50.7 | -52.1 | 175.7 | -65 | -168.7 | 175 | -176.3 | 0 | 111.7 | N42 Y45 N85 F86 E87 | N42-K83 VanDerWaalsContact O-CE 3.28Å; N42-K83 WeakPolarHBondContact O-CE 3.37Å; N42-K83 PolarHBondContact O-NZ 2.91Å; Y45-K83 HydrophobicContact CE2-CG 4.25Å; K83-N85 PolarHBondContact O-N 3.47Å; K83-F86 WeakPolarHBondContact O-CB 3.44Å; K83-F86 PolarHBondContact O-N 3.37Å; K83-F86 VanDerWaalsContact O-N 3.11Å; K83-E87 VanDerWaalsContact O-CG 3.31Å; K83-E87 WeakPolarHBondContact O-CG 3.09Å; K83-E87 PolarHBondContact O-N 3.36Å |
| 84 | L | 86.3 | Confident | 88.2 | Confident | 132 Ų | 132 | 40.3 Ų | 40.3 | 69% | 0.691 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -56.7 | -43.4 | 177 | -66.8 | 171.8 | 0 | 0 | 0 | 113.8 | S82 E87 A88 | S82-L84 VanDerWaalsContact C-N 3.33Å; S82-L84 PolarHBondContact O-N 2.86Å; L84-E87 PolarHBondContact O-N 3.14Å; L84-A88 WeakPolarHBondContact O-CB 3.37Å; L84-A88 PolarHBondContact O-N 3.32Å |
| 85 | N | 89.4 | Confident | 88.4 | Confident | 21 Ų | 21 | 39.1 Ų | 39.1 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.5 | -34.3 | 179.2 | -73.1 | -14.7 | 0 | 0 | 0 | 111.8 | V59 L81 S82 K83 F89 | V59-N85 HydrophobicContact CG1-CB 4.12Å; L81-N85 HydrophobicContact CB-CB 4.49Å; L81-N85 HydrophobicContact CD2-CB 4.21Å; S82-N85 PolarHBondContact O-N 2.97Å; S82-N85 VanDerWaalsContact O-N 3.11Å; S82-N85 WeakPolarHBondContact OG-CB 3.36Å; S82-N85 VanDerWaalsContact OG-CG 3.32Å; S82-N85 PolarHBondContact OG-N 3.22Å; S82-N85 PolarHBondContact OG-ND2 3.27Å; K83-N85 PolarHBondContact O-N 3.47Å; N85-F89 WeakPolarHBondContact O-CB 3.47Å; N85-F89 PolarHBondContact O-N 2.88Å |
| 86 | F | 90.2 | Very high | 88.2 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.6 | -48.5 | 173.6 | 159.9 | -100.9 | 0 | 0 | 0 | 111 | I38 Y45 L81 S82 K83 A88 F89 V90 V103 F130 I133 | I38-F86 HydrophobicContact CB-CE2 4.42Å; I38-F86 HydrophobicContact CD1-CD2 3.92Å; I38-F86 HydrophobicContact CD1-CE2 3.72Å; I38-F86 HydrophobicContact CG2-CD2 3.9Å; I38-F86 HydrophobicContact CG2-CE2 3.86Å; Y45-F86 HydrophobicContact CD1-CD2 4.02Å; Y45-F86 HydrophobicContact CD1-CE2 4.03Å; Y45-F86 HydrophobicContact CD1-CG 4.31Å; Y45-F86 HydrophobicContact CD1-CZ 4.33Å; Y45-F86 HydrophobicContact CD2-CB 3.51Å; Y45-F86 AromaticContact CD2-CD1 3.75Å; Y45-F86 HydrophobicContact CD2-CD1 3.75Å; Y45-F86 AromaticContact CD2-CD2 3.96Å; Y45-F86 HydrophobicContact CD2-CD2 3.96Å; Y45-F86 HydrophobicContact CD2-CE1 4.41Å; Y45-F86 AromaticContact CD2-CG 3.46Å; Y45-F86 HydrophobicContact CD2-CG 3.46Å; Y45-F86 VanDerWaalsContact CD2-CG 3.46Å; Y45-F86 HydrophobicContact CE1-CD1 4.41Å; Y45-F86 HydrophobicContact CE1-CD2 4.44Å; Y45-F86 HydrophobicContact CE1-CE1 4.15Å; Y45-F86 HydrophobicContact CE1-CE2 4.17Å; Y45-F86 HydrophobicContact CE1-CZ 4Å; Y45-F86 HydrophobicContact CE2-CB 4.09Å; Y45-F86 AromaticContact CE2-CD1 3.46Å; Y45-F86 HydrophobicContact CE2-CD1 3.46Å; Y45-F86 VanDerWaalsContact CE2-CD1 3.46Å; Y45-F86 HydrophobicContact CE2-CD2 4.38Å; Y45-F86 AromaticContact CE2-CE1 3.88Å; Y45-F86 HydrophobicContact CE2-CE1 3.88Å; Y45-F86 AromaticContact CE2-CG 3.72Å; Y45-F86 HydrophobicContact CE2-CG 3.72Å; Y45-F86 HydrophobicContact CE2-CZ 4.47Å; Y45-F86 HydrophobicContact CG-CB 4.04Å; Y45-F86 HydrophobicContact CG-CD1 4.34Å; Y45-F86 AromaticContact CG-CD2 3.78Å; Y45-F86 HydrophobicContact CG-CD2 3.78Å; Y45-F86 HydrophobicContact CG-CE2 4.27Å; Y45-F86 AromaticContact CG-CG 3.8Å; Y45-F86 HydrophobicContact CG-CG 3.8Å; Y45-F86 AromaticContact CZ-CD1 3.86Å; Y45-F86 AromaticContact CZ-CE1 3.75Å; L81-F86 HydrophobicContact CB-CB 4.21Å; S82-F86 WeakPolarHBondContact O-CB 3.36Å; S82-F86 PolarHBondContact O-N 2.99Å; K83-F86 WeakPolarHBondContact O-CB 3.44Å; K83-F86 PolarHBondContact O-N 3.37Å; K83-F86 VanDerWaalsContact O-N 3.11Å; F86-A88 PolarHBondContact O-N 3.4Å; F86-F89 PolarHBondContact O-N 3.03Å; F86-V90 HydrophobicContact CD2-CG2 3.78Å; F86-V90 HydrophobicContact CE2-CG2 3.51Å; F86-V90 HydrophobicContact CG-CG2 4.48Å; F86-V90 HydrophobicContact CZ-CG2 4.01Å; F86-V90 WeakPolarHBondContact O-CB 3.44Å; F86-V90 WeakPolarHBondContact O-CG2 3.28Å; F86-V90 PolarHBondContact O-N 3.35Å; F86-V103 HydrophobicContact CE2-CG2 4.07Å; F86-V103 HydrophobicContact CZ-CG2 4.1Å; F86-F130 AromaticContact CZ-CE1 3.85Å; F86-F130 HydrophobicContact CZ-CE1 3.85Å; F86-I133 HydrophobicContact CE1-CD1 4Å; F86-I133 HydrophobicContact CE1-CG2 4.44Å |
| 87 | E | 87.1 | Confident | 87.9 | Confident | 73 Ų | 73 | 41 Ų | 41 | 34% | 0.341 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.5 | -47 | 178.3 | -61 | 176.3 | 173.2 | 0 | 0 | 111 | K83 L84 F89 K91 I133 | K83-E87 VanDerWaalsContact O-CG 3.31Å; K83-E87 WeakPolarHBondContact O-CG 3.09Å; K83-E87 PolarHBondContact O-N 3.36Å; L84-E87 PolarHBondContact O-N 3.14Å; E87-F89 PolarHBondContact O-N 3.48Å; E87-K91 WeakPolarHBondContact O-CB 3.33Å; E87-K91 PolarHBondContact O-N 2.98Å; E87-I133 HydrophobicContact CB-CG2 3.88Å; E87-I133 HydrophobicContact CG-CG2 3.66Å |
| 88 | A | 86.1 | Confident | 87.5 | Confident | 58 Ų | 58 | 42.1 Ų | 42.1 | 48% | 0.479 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63 | -41.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | L84 F86 K91 D92 | L84-A88 WeakPolarHBondContact O-CB 3.37Å; L84-A88 PolarHBondContact O-N 3.32Å; F86-A88 PolarHBondContact O-N 3.4Å; A88-K91 PolarHBondContact O-N 2.66Å; A88-D92 PolarHBondContact O-N 3.01Å; A88-D92 VanDerWaalsContact O-N 3.08Å |
| 89 | F | 90 | Very high | 87.4 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 1% | 0.013 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.7 | -45.7 | 179.3 | -177.6 | -127.8 | 0 | 0 | 0 | 111.9 | F36 I38 F54 A55 E58 V59 L81 N85 F86 E87 K91 D92 L93 | F36-F89 HydrophobicContact CD1-CE1 4.08Å; F36-F89 AromaticContact CD1-CZ 3.86Å; F36-F89 HydrophobicContact CD1-CZ 3.86Å; F36-F89 HydrophobicContact CE1-CE1 4.46Å; F36-F89 AromaticContact CE1-CZ 3.8Å; F36-F89 HydrophobicContact CE1-CZ 3.8Å; I38-F89 HydrophobicContact CD1-CD1 4.45Å; F54-F89 AromaticContact CD1-CE2 3.93Å; F54-F89 HydrophobicContact CD1-CE2 3.93Å; F54-F89 AromaticContact CD1-CZ 3.97Å; F54-F89 HydrophobicContact CD1-CZ 3.97Å; F54-F89 HydrophobicContact CE1-CE2 4Å; F54-F89 HydrophobicContact CE1-CZ 4.36Å; A55-F89 HydrophobicContact CB-CE1 4.05Å; A55-F89 HydrophobicContact CB-CE2 4.21Å; A55-F89 HydrophobicContact CB-CZ 3.78Å; E58-F89 HydrophobicContact CB-CE2 4.47Å; V59-F89 HydrophobicContact CG2-CB 3.73Å; V59-F89 HydrophobicContact CG2-CD2 3.36Å; V59-F89 HydrophobicContact CG2-CE2 4.11Å; V59-F89 HydrophobicContact CG2-CG 3.68Å; L81-F89 HydrophobicContact CD1-CD1 3.9Å; L81-F89 HydrophobicContact CD1-CE1 4.49Å; N85-F89 WeakPolarHBondContact O-CB 3.47Å; N85-F89 PolarHBondContact O-N 2.88Å; F86-F89 PolarHBondContact O-N 3.03Å; E87-F89 PolarHBondContact O-N 3.48Å; F89-K91 VanDerWaalsContact C-N 3.28Å; F89-K91 PolarHBondContact O-N 2.84Å; F89-D92 PolarHBondContact O-N 3.37Å; F89-L93 HydrophobicContact CD1-CD1 3.93Å; F89-L93 HydrophobicContact CD2-CD1 4.47Å; F89-L93 HydrophobicContact CD2-CG 4.24Å; F89-L93 HydrophobicContact CE1-CD1 3.57Å; F89-L93 HydrophobicContact CE1-CG 4.3Å; F89-L93 HydrophobicContact CE2-CD1 4.14Å; F89-L93 HydrophobicContact CE2-CD2 3.98Å; F89-L93 HydrophobicContact CE2-CG 3.97Å; F89-L93 HydrophobicContact CG-CD1 4.38Å; F89-L93 HydrophobicContact CZ-CD1 3.68Å; F89-L93 HydrophobicContact CZ-CD2 4Å; F89-L93 HydrophobicContact CZ-CG 4.01Å; F89-L93 VanDerWaalsContact O-CG 3.3Å; F89-L93 WeakPolarHBondContact O-CG 3.47Å; F89-L93 PolarHBondContact O-N 3.05Å |
| 90 | V | 88.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.1 | -37.1 | 176.7 | 172.6 | 0 | 0 | 0 | 0 | 111 | I38 F86 L93 L94 V101 F130 L134 | I38-V90 HydrophobicContact CD1-CG2 3.74Å; F86-V90 HydrophobicContact CD2-CG2 3.78Å; F86-V90 HydrophobicContact CE2-CG2 3.51Å; F86-V90 HydrophobicContact CG-CG2 4.48Å; F86-V90 HydrophobicContact CZ-CG2 4.01Å; F86-V90 WeakPolarHBondContact O-CB 3.44Å; F86-V90 WeakPolarHBondContact O-CG2 3.28Å; F86-V90 PolarHBondContact O-N 3.35Å; V90-L93 PolarHBondContact O-N 3.14Å; V90-L94 HydrophobicContact CG1-CD1 3.45Å; V90-L94 VanDerWaalsContact CG1-CD1 3.45Å; V90-L94 HydrophobicContact CG1-CG 4.13Å; V90-L94 WeakPolarHBondContact O-CB 3.35Å; V90-L94 WeakPolarHBondContact O-CG 3.43Å; V90-L94 PolarHBondContact O-N 2.96Å; V90-V101 HydrophobicContact CG1-CG2 4.43Å; V90-V101 HydrophobicContact CG2-CG1 4.32Å; V90-F130 HydrophobicContact CG1-CD1 3.7Å; V90-F130 HydrophobicContact CG1-CE1 3.95Å; V90-F130 HydrophobicContact CG1-CG 4.46Å; V90-F130 HydrophobicContact CG2-CE1 4.42Å; V90-L134 HydrophobicContact CG1-CD2 4.31Å |
| 91 | K | 84.9 | Confident | 87.1 | Confident | 76 Ų | 76 | 46.9 Ų | 46.9 | 33% | 0.33 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.4 | -46.2 | 173.7 | -170.6 | 175.1 | -179.3 | 169.7 | 0 | 112.3 | E87 A88 F89 L95 L134 T139 | E87-K91 WeakPolarHBondContact O-CB 3.33Å; E87-K91 PolarHBondContact O-N 2.98Å; A88-K91 PolarHBondContact O-N 2.66Å; F89-K91 VanDerWaalsContact C-N 3.28Å; F89-K91 PolarHBondContact O-N 2.84Å; K91-L95 HydrophobicContact CG-CD1 3.69Å; K91-L95 HydrophobicContact CG-CG 4.39Å; K91-L95 VanDerWaalsContact O-CB 3.3Å; K91-L95 WeakPolarHBondContact O-CB 3.36Å; K91-L95 WeakPolarHBondContact O-CG 3.38Å; K91-L95 PolarHBondContact O-N 3.15Å; K91-L134 VanDerWaalsContact CA-CD2 3.47Å; K91-L134 HydrophobicContact CB-CD2 3.72Å; K91-L134 HydrophobicContact CG-CD2 4.1Å; K91-T139 PolarHBondContact NZ-OG1 3.09Å |
| 92 | D | 85.7 | Confident | 87.2 | Confident | 43 Ų | 43 | 48.8 Ų | 48.8 | 23% | 0.23 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -63.3 | -45.9 | 175.9 | -177 | 57.3 | 0 | 0 | 0 | 111.8 | A88 F89 L94 V96 K97 | A88-D92 PolarHBondContact O-N 3.01Å; A88-D92 VanDerWaalsContact O-N 3.08Å; F89-D92 PolarHBondContact O-N 3.37Å; D92-L94 PolarHBondContact O-N 3.04Å; D92-V96 WeakPolarHBondContact O-CA 3.44Å; D92-V96 VanDerWaalsContact O-CB 3.32Å; D92-V96 WeakPolarHBondContact O-CB 3.41Å; D92-V96 PolarHBondContact O-N 2.83Å; D92-V96 WeakPolarHBondContact OD1-CB 3.12Å; D92-K97 PolarHBondContact O-N 3.03Å |
| 93 | L | 88.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -59.1 | -48 | 179 | -70.8 | 179.5 | 0 | 0 | 0 | 112.5 | F36 F54 F89 V90 K97 Q98 Y99 V101 | F36-L93 HydrophobicContact CB-CD1 3.9Å; F36-L93 HydrophobicContact CD1-CD1 4.02Å; F36-L93 HydrophobicContact CD1-CD2 4.4Å; F36-L93 HydrophobicContact CD2-CD1 4.21Å; F36-L93 HydrophobicContact CD2-CD2 3.96Å; F36-L93 HydrophobicContact CE1-CD2 4.36Å; F36-L93 HydrophobicContact CE2-CD2 3.96Å; F36-L93 HydrophobicContact CG-CD1 3.75Å; F36-L93 HydrophobicContact CG-CD2 4.21Å; F36-L93 HydrophobicContact CZ-CD2 4.16Å; F54-L93 HydrophobicContact CE1-CD2 3.82Å; F89-L93 HydrophobicContact CD1-CD1 3.93Å; F89-L93 HydrophobicContact CD2-CD1 4.47Å; F89-L93 HydrophobicContact CD2-CG 4.24Å; F89-L93 HydrophobicContact CE1-CD1 3.57Å; F89-L93 HydrophobicContact CE1-CG 4.3Å; F89-L93 HydrophobicContact CE2-CD1 4.14Å; F89-L93 HydrophobicContact CE2-CD2 3.98Å; F89-L93 HydrophobicContact CE2-CG 3.97Å; F89-L93 HydrophobicContact CG-CD1 4.38Å; F89-L93 HydrophobicContact CZ-CD1 3.68Å; F89-L93 HydrophobicContact CZ-CD2 4Å; F89-L93 HydrophobicContact CZ-CG 4.01Å; F89-L93 VanDerWaalsContact O-CG 3.3Å; F89-L93 WeakPolarHBondContact O-CG 3.47Å; F89-L93 PolarHBondContact O-N 3.05Å; V90-L93 PolarHBondContact O-N 3.14Å; L93-K97 CarbonylContact O-C 3.56Å; L93-Q98 PolarHBondContact O-N 3.26Å; L93-Y99 HydrophobicContact CD2-CD2 3.84Å; L93-Y99 PolarHBondContact O-N 3.07Å; L93-V101 HydrophobicContact CB-CG2 4.23Å; L93-V101 HydrophobicContact CD1-CG2 3.89Å |
| 94 | L | 85.3 | Confident | 87.5 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -79.5 | -43.2 | -173.7 | -65.3 | 171.1 | 0 | 0 | 0 | 112.7 | V90 D92 Y99 V101 A122 L127 L134 | V90-L94 HydrophobicContact CG1-CD1 3.45Å; V90-L94 VanDerWaalsContact CG1-CD1 3.45Å; V90-L94 HydrophobicContact CG1-CG 4.13Å; V90-L94 WeakPolarHBondContact O-CB 3.35Å; V90-L94 WeakPolarHBondContact O-CG 3.43Å; V90-L94 PolarHBondContact O-N 2.96Å; D92-L94 PolarHBondContact O-N 3.04Å; L94-Y99 WeakPolarHBondContact CD2-O 3.25Å; L94-V101 HydrophobicContact CD2-CG2 4.11Å; L94-V101 HydrophobicContact CG-CG2 4.29Å; L94-A122 HydrophobicContact CD1-CB 3.67Å; L94-A122 HydrophobicContact CD2-CB 3.73Å; L94-A122 HydrophobicContact CG-CB 4.37Å; L94-L127 HydrophobicContact CB-CD2 4.05Å; L94-L127 HydrophobicContact CD1-CD2 3.77Å; L94-L127 HydrophobicContact CD2-CD2 4.44Å; L94-L127 HydrophobicContact CG-CD2 4.32Å; L94-L134 HydrophobicContact CD1-CD1 3.88Å; L94-L134 HydrophobicContact CD1-CD2 4.37Å |
| 95 | L | 80.8 | Confident | 87.7 | Confident | 80 Ų | 80 | 41 Ų | 41 | 42% | 0.419 | 20% | 0.2 | S | C | . | . | I | π-helix | trans | -92.7 | -31.1 | -170.7 | -55.8 | -176.9 | 0 | 0 | 0 | 113.6 | K91 L127 F135 | K91-L95 HydrophobicContact CG-CD1 3.69Å; K91-L95 HydrophobicContact CG-CG 4.39Å; K91-L95 VanDerWaalsContact O-CB 3.3Å; K91-L95 WeakPolarHBondContact O-CB 3.36Å; K91-L95 WeakPolarHBondContact O-CG 3.38Å; K91-L95 PolarHBondContact O-N 3.15Å; L95-L127 HydrophobicContact CD2-CD1 4.05Å; L95-F135 HydrophobicContact CD1-CE1 4.48Å |
| 96 | V | 80.8 | Confident | 87.6 | Confident | 81 Ų | 81 | 41.8 Ų | 41.8 | 49% | 0.491 | 20% | 0.204 | S | C | . | . | I | π-helix | trans | -103.3 | -53.5 | -175.7 | -176.1 | 0 | 0 | 0 | 0 | 110.8 | D92 | D92-V96 WeakPolarHBondContact O-CA 3.44Å; D92-V96 VanDerWaalsContact O-CB 3.32Å; D92-V96 WeakPolarHBondContact O-CB 3.41Å; D92-V96 PolarHBondContact O-N 2.83Å; D92-V96 WeakPolarHBondContact OD1-CB 3.12Å |
| 97 | K | 82.7 | Confident | 87.2 | Confident | 77 Ų | 77 | 46.6 Ų | 46.6 | 34% | 0.335 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -83 | -14 | -176.6 | -54.9 | -60.5 | -176.2 | -178.7 | 0 | 113.7 | D92 L93 Y99 | D92-K97 PolarHBondContact O-N 3.03Å; L93-K97 CarbonylContact O-C 3.56Å; K97-Y99 VanDerWaalsContact C-N 3.29Å; K97-Y99 HydrophobicContact CB-CD1 4.15Å; K97-Y99 HydrophobicContact CB-CD2 4Å; K97-Y99 HydrophobicContact CB-CE1 4.3Å; K97-Y99 HydrophobicContact CB-CE2 4.17Å; K97-Y99 HydrophobicContact CB-CG 4Å; K97-Y99 WeakPolarHBondContact O-CD1 3.45Å; K97-Y99 WeakPolarHBondContact O-CE1 3.24Å; K97-Y99 PolarHBondContact O-N 3.24Å |
| 98 | Q | 83.3 | Confident | 86.8 | Confident | 78 Ų | 78 | 44.4 Ų | 44.4 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | trans | 55.5 | 39.3 | -175.7 | -58.9 | -172.9 | -16.1 | 0 | 0 | 113.8 | L93 P124 | L93-Q98 PolarHBondContact O-N 3.26Å; Q98-P124 HydrophobicContact CB-CG 3.94Å | ||
| 99 | Y | 89.4 | Confident | 85.8 | Confident | 66 Ų | 66 | 52.2 Ų | 52.2 | 26% | 0.259 | 24% | 0.242 | S | C | . | . | trans | -92.9 | 168.5 | 178.4 | -72 | -2.6 | 0 | 0 | 0 | 112.1 | T34 F36 F54 L93 L94 K97 P124 | T34-Y99 HydrophobicContact CG2-CD1 4.13Å; T34-Y99 HydrophobicContact CG2-CE1 3.95Å; T34-Y99 WeakPolarHBondContact O-CA 3.48Å; T34-Y99 VanDerWaalsContact O-CB 3.3Å; T34-Y99 WeakPolarHBondContact O-CB 3.44Å; F36-Y99 AromaticContact CD2-CD2 3.87Å; F36-Y99 HydrophobicContact CD2-CD2 3.87Å; F36-Y99 AromaticContact CE2-CD2 3.36Å; F36-Y99 HydrophobicContact CE2-CD2 3.36Å; F36-Y99 AromaticContact CE2-CE2 3.77Å; F36-Y99 HydrophobicContact CE2-CE2 3.77Å; F36-Y99 HydrophobicContact CE2-CG 4.39Å; F36-Y99 HydrophobicContact CZ-CD2 4.32Å; F36-Y99 HydrophobicContact CZ-CE2 4.46Å; F54-Y99 HydrophobicContact CE2-CE2 4.46Å; F54-Y99 HydrophobicContact CZ-CE2 4.18Å; L93-Y99 HydrophobicContact CD2-CD2 3.84Å; L93-Y99 PolarHBondContact O-N 3.07Å; L94-Y99 WeakPolarHBondContact CD2-O 3.25Å; K97-Y99 VanDerWaalsContact C-N 3.29Å; K97-Y99 HydrophobicContact CB-CD1 4.15Å; K97-Y99 HydrophobicContact CB-CD2 4Å; K97-Y99 HydrophobicContact CB-CE1 4.3Å; K97-Y99 HydrophobicContact CB-CE2 4.17Å; K97-Y99 HydrophobicContact CB-CG 4Å; K97-Y99 WeakPolarHBondContact O-CD1 3.45Å; K97-Y99 WeakPolarHBondContact O-CE1 3.24Å; K97-Y99 PolarHBondContact O-N 3.24Å; Y99-P124 WeakPolarHBondContact O-CD 3.35Å | ||
| 100 | R | 89.7 | Confident | 84.5 | Confident | 51 Ų | 51 | 54.3 Ų | 54.3 | 19% | 0.192 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 151.4 | 174.9 | -61.2 | -173.3 | -173.8 | 124.5 | 4 | 110.7 | T34 T35 F36 A122 E199 S226 | T34-R100 PolarHBondContact O-N 2.98Å; T35-R100 CarbonylContact C-O 3.19Å; T35-R100 WeakPolarHBondContact CA-O 3.48Å; T35-R100 HydrophobicContact CG2-CB 4.33Å; F36-R100 PolarHBondContact N-O 3.1Å; R100-A122 CarbonylContact C-O 3.59Å; R100-A122 WeakPolarHBondContact CA-O 3.47Å; R100-E199 IonicContact NE-OE1 2.84Å; R100-E199 IonicContact NH2-OE1 2.66Å; R100-S226 PolarHBondContact NH2-OG 3.44Å |
| 101 | V | 92.1 | Very high | 83.1 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 132.2 | 179.7 | -179.2 | 0 | 0 | 0 | 0 | 109.9 | F36 I38 V90 L93 L94 V103 K121 A122 F130 | F36-V101 CarbonylContact O-C 3.53Å; F36-V101 WeakPolarHBondContact O-CA 3.29Å; I38-V101 HydrophobicContact CD1-CG1 3.71Å; I38-V101 HydrophobicContact CG1-CG1 4.21Å; V90-V101 HydrophobicContact CG1-CG2 4.43Å; V90-V101 HydrophobicContact CG2-CG1 4.32Å; L93-V101 HydrophobicContact CB-CG2 4.23Å; L93-V101 HydrophobicContact CD1-CG2 3.89Å; L94-V101 HydrophobicContact CD2-CG2 4.11Å; L94-V101 HydrophobicContact CG-CG2 4.29Å; V101-V103 HydrophobicContact CG1-CG2 4.16Å; V101-K121 CarbonylContact O-C 3.59Å; V101-K121 WeakPolarHBondContact O-CA 3.47Å; V101-A122 HydrophobicContact CB-CB 4.39Å; V101-A122 PolarHBondContact N-O 3.42Å; V101-A122 PolarHBondContact O-N 3.38Å; V101-F130 HydrophobicContact CG1-CZ 4.25Å |
| 102 | E | 92.6 | Very high | 81.8 | Confident | 40 Ų | 40 | 61.2 Ų | 61.2 | 19% | 0.187 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 120.1 | 171.3 | -63.6 | 176.1 | 162.9 | 0 | 0 | 108.1 | T35 F36 R37 I38 Y104 | T35-E102 HydrophobicContact CG2-CG 4Å; F36-E102 PolarHBondContact O-N 2.93Å; R37-E102 WeakPolarHBondContact CA-O 3.34Å; R37-E102 HydrophobicContact CG-CB 4.3Å; R37-E102 WeakPolarHBondContact CG-OE2 3.48Å; R37-E102 IonicContact CZ-OE2 3.24Å; R37-E102 IonicContact NE-OE2 2.92Å; R37-E102 PolarHBondContact NE-OE2 2.9Å; I38-E102 PolarHBondContact N-O 3Å; E102-Y104 HydrophobicContact CB-CD2 4.44Å; E102-Y104 HydrophobicContact CB-CE2 3.8Å; E102-Y104 PolarHBondContact OE2-OH 2.9Å |
| 103 | V | 91.9 | Very high | 80.9 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 123.9 | 175.7 | 175.8 | 0 | 0 | 0 | 0 | 109.5 | I38 D40 Y45 F86 V101 E119 Y120 F130 | I38-V103 HydrophobicContact CB-CG2 4.23Å; I38-V103 CarbonylContact O-C 3.54Å; I38-V103 WeakPolarHBondContact O-CA 3.47Å; D40-V103 HydrophobicContact CB-CG1 4.41Å; Y45-V103 HydrophobicContact CE1-CG1 4.46Å; F86-V103 HydrophobicContact CE2-CG2 4.07Å; F86-V103 HydrophobicContact CZ-CG2 4.1Å; V101-V103 HydrophobicContact CG1-CG2 4.16Å; V103-E119 PolarHBondContact O-N 2.88Å; V103-Y120 HydrophobicContact CB-CD2 4.16Å; V103-Y120 HydrophobicContact CG1-CD2 4.07Å; V103-Y120 PolarHBondContact N-O 3.48Å; V103-Y120 PolarHBondContact O-N 2.84Å; V103-F130 HydrophobicContact CB-CZ 4.38Å; V103-F130 HydrophobicContact CG2-CE1 3.93Å; V103-F130 HydrophobicContact CG2-CZ 3.54Å |
| 104 | Y | 92.3 | Very high | 80.1 | Confident | 17 Ų | 17 | 67 Ų | 67 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 135 | 178.4 | -71.9 | -98.7 | 0 | 0 | 0 | 110.5 | F24 M28 R37 I38 F39 D40 E102 W116 R117 I118 | F24-Y104 HydrophobicContact CZ-CD1 4.39Å; F24-Y104 HydrophobicContact CZ-CE1 4.46Å; M28-Y104 HydrophobicContact CE-CD1 4.26Å; M28-Y104 HydrophobicContact CE-CD2 4.46Å; M28-Y104 HydrophobicContact CE-CE1 3.49Å; M28-Y104 VanDerWaalsContact CE-CE1 3.49Å; M28-Y104 HydrophobicContact CE-CE2 3.73Å; M28-Y104 WeakPolarHBondContact CE-OH 3.45Å; R37-Y104 HydrophobicContact CB-CE2 4.23Å; R37-Y104 HydrophobicContact CG-CE2 3.97Å; I38-Y104 PolarHBondContact O-N 3.1Å; F39-Y104 HydrophobicContact CD1-CG 4.26Å; F39-Y104 HydrophobicContact CE1-CD2 4.08Å; F39-Y104 AromaticContact CE1-CG 3.88Å; F39-Y104 HydrophobicContact CE1-CG 3.88Å; F39-Y104 HydrophobicContact CZ-CD2 4.28Å; D40-Y104 PolarHBondContact N-O 3.47Å; E102-Y104 HydrophobicContact CB-CD2 4.44Å; E102-Y104 HydrophobicContact CB-CE2 3.8Å; E102-Y104 PolarHBondContact OE2-OH 2.9Å; Y104-W116 HydrophobicContact CD1-CB 4.43Å; Y104-R117 VanDerWaalsContact CA-O 3.27Å; Y104-R117 WeakPolarHBondContact CA-O 3.48Å; Y104-I118 HydrophobicContact CD1-CG1 4Å; Y104-I118 HydrophobicContact CE1-CB 4.49Å; Y104-I118 HydrophobicContact CE1-CD1 4.25Å; Y104-I118 HydrophobicContact CE1-CG1 3.35Å; Y104-I118 HydrophobicContact CE2-CG1 4.06Å |
| 105 | R | 90.2 | Very high | 80.1 | Confident | 90 Ų | 90 | 69.9 Ų | 69.9 | 34% | 0.34 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 144.5 | 171.8 | -172.6 | 168.8 | -175.4 | -178.2 | 11.3 | 110.8 | D40 W116 R117 E119 | D40-R105 HydrophobicContact CB-CB 4.44Å; R105-W116 WeakPolarHBondContact O-CA 3.49Å; R105-R117 PolarHBondContact N-O 2.89Å; R105-R117 PolarHBondContact O-N 3.23Å; R105-E119 HydrophobicContact CB-CB 4.14Å; R105-E119 WeakPolarHBondContact CB-OE2 3.48Å; R105-E119 WeakPolarHBondContact CD-OE1 3.36Å; R105-E119 WeakPolarHBondContact CD-OE2 3.36Å; R105-E119 IonicContact CZ-OE1 3.2Å; R105-E119 IonicContact NH1-OE1 2.83Å; R105-E119 PolarHBondContact NH1-OE1 3.44Å; R105-E119 IonicContact NH1-OE2 3.45Å |
| 106 | N | 87.9 | Confident | 80.4 | Confident | 37 Ų | 37 | 67 Ų | 67 | 20% | 0.198 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 120.5 | 176 | -169.3 | 2.8 | 0 | 0 | 0 | 109.6 | S108 E113 D115 W116 | N106-S108 PolarHBondContact OD1-N 3.5Å; N106-S108 VanDerWaalsContact OD1-N 3.15Å; N106-E113 PolarHBondContact ND2-O 3.39Å; N106-E113 PolarHBondContact OD1-O 2.78Å; N106-D115 PolarHBondContact OD1-N 3.1Å; N106-D115 VanDerWaalsContact OD1-N 3.09Å; N106-D115 PolarHBondContact OD1-O 2.81Å; N106-W116 HydrophobicContact CB-CD2 4.01Å; N106-W116 HydrophobicContact CB-CE3 4.05Å; N106-W116 HydrophobicContact CB-CH2 4.18Å; N106-W116 HydrophobicContact CB-CZ2 4.14Å; N106-W116 HydrophobicContact CB-CZ3 4.13Å |
| 107 | H | 81.8 | Confident | 80.8 | Confident | 105 Ų | 105 | 69.9 Ų | 69.9 | 49% | 0.486 | 33% | 0.326 | S | S | . | . | trans | -91.3 | -2.7 | 178.8 | -76.4 | -89.8 | 0 | 0 | 0 | 113.8 | D115 | H107-D115 PolarHBondContact N-O 3.15Š| ||
| 108 | S | 78.5 | Confident | 81 | Confident | 27 Ų | 27 | 69.4 Ų | 69.4 | 19% | 0.189 | 33% | 0.326 | C | S | . | . | trans | -73.8 | 140 | 174 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | N106 S110 E113 | N106-S108 PolarHBondContact OD1-N 3.5Å; N106-S108 VanDerWaalsContact OD1-N 3.15Å; S108-S110 PolarHBondContact O-N 2.84Å; S108-S110 PolarHBondContact OG-N 2.97Å; S108-S110 VanDerWaalsContact OG-N 3.08Å; S108-S110 PolarHBondContact OG-O 2.62Å; S108-E113 VanDerWaalsContact OG-CB 3.26Å; S108-E113 WeakPolarHBondContact OG-CB 3.39Å; S108-E113 PolarHBondContact OG-OE2 3.33Å | ||
| 109 | K | 64.8 | Low | 81.1 | Confident | 221 Ų | 221 | 67.8 Ų | 67.8 | 96% | 0.961 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -71.6 | -15.1 | 170.8 | -64.5 | -175.7 | 178.9 | -177.8 | 0 | 112.5 | ||
| 110 | S | 63.6 | Low | 80.6 | Confident | 47 Ų | 47 | 68.7 Ų | 68.7 | 33% | 0.329 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -102.6 | 131.2 | 179.4 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | S108 K112 E113 | S108-S110 PolarHBondContact O-N 2.84Å; S108-S110 PolarHBondContact OG-N 2.97Å; S108-S110 VanDerWaalsContact OG-N 3.08Å; S108-S110 PolarHBondContact OG-O 2.62Å; S110-K112 PolarHBondContact O-N 2.98Å; S110-K112 PolarHBondContact OG-N 3.39Å; S110-E113 PolarHBondContact O-N 2.89Å |
| 111 | S | 58.3 | Low | 80.5 | Confident | 96 Ų | 96 | 69.9 Ų | 69.9 | 67% | 0.671 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -9.1 | 175.4 | 75.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 112 | K | 57.9 | Low | 80.2 | Confident | 125 Ų | 125 | 70.1 Ų | 70.1 | 54% | 0.543 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -13.8 | -176.7 | -62.3 | -175.5 | 175.8 | -174.9 | 0 | 113.5 | D14 S110 | D14-K112 IonicContact OD2-NZ 3.22Å; S110-K112 PolarHBondContact O-N 2.98Å; S110-K112 PolarHBondContact OG-N 3.39Å |
| 113 | E | 67.5 | Low | 79.9 | Confident | 122 Ų | 122 | 68.5 Ų | 68.5 | 57% | 0.57 | 32% | 0.324 | S | S | * | . | trans | -103.3 | 139.1 | 177.4 | -76.2 | 173 | -175.3 | 0 | 0 | 109.6 | N106 S108 S110 | N106-E113 PolarHBondContact ND2-O 3.39Å; N106-E113 PolarHBondContact OD1-O 2.78Å; S108-E113 VanDerWaalsContact OG-CB 3.26Å; S108-E113 WeakPolarHBondContact OG-CB 3.39Å; S108-E113 PolarHBondContact OG-OE2 3.33Å; S110-E113 PolarHBondContact O-N 2.89Å | ||
| 114 | H | 71.3 | Confident | 79.4 | Confident | 44 Ų | 44 | 68.8 Ų | 68.8 | 20% | 0.204 | 33% | 0.326 | C | S | . | . | trans | -117.7 | 82.1 | -172.6 | -62 | -66.9 | 0 | 0 | 0 | 110 | A17 G20 F21 W116 | A17-H114 WeakPolarHBondContact CA-NE2 3.46Å; A17-H114 PolarHBondContact O-CE1 3.17Å; A17-H114 PolarHBondContact O-NE2 3.36Å; G20-H114 VanDerWaalsContact CA-CD2 3.45Å; G20-H114 WeakPolarHBondContact CA-CD2 3.08Å; F21-H114 PolarHBondContact N-CD2 3.4Å; F21-H114 PolarHBondContact N-NE2 3.34Å; H114-W116 AromaticContact CG-NE1 3.99Å; H114-W116 AromaticContact ND1-NE1 3.51Å | ||
| 115 | D | 84.2 | Confident | 78.7 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 33% | 0.332 | 32% | 0.324 | S | S | . | . | trans | -103.6 | 72.1 | 170.6 | -173.4 | 12.3 | 0 | 0 | 0 | 108.8 | N106 H107 R117 | N106-D115 PolarHBondContact OD1-N 3.1Å; N106-D115 VanDerWaalsContact OD1-N 3.09Å; N106-D115 PolarHBondContact OD1-O 2.81Å; H107-D115 PolarHBondContact N-O 3.15Å; D115-R117 IonicContact OD1-CZ 3.22Å; D115-R117 IonicContact OD1-NE 2.66Å; D115-R117 PolarHBondContact OD1-NE 2.83Å; D115-R117 IonicContact OD1-NH2 2.74Å; D115-R117 PolarHBondContact OD1-NH2 2.9Å; D115-R117 IonicContact OD2-CZ 3.65Å; D115-R117 IonicContact OD2-NE 2.83Å; D115-R117 PolarHBondContact OD2-NE 2.74Å; D115-R117 IonicContact OD2-NH2 3.49Å; D115-R117 PolarHBondContact OD2-NH2 3.28Å | ||
| 116 | W | 87.8 | Confident | 78.3 | Confident | 18 Ų | 18 | 64.6 Ų | 64.6 | 7% | 0.068 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 120.5 | 179.2 | -67.7 | 96.2 | 0 | 0 | 0 | 110 | F21 F24 F39 D40 R41 Y104 R105 N106 H114 | F21-W116 AromaticContact CD2-CE2 3.85Å; F21-W116 AromaticContact CD2-CZ2 3.98Å; F21-W116 HydrophobicContact CD2-CZ2 3.98Å; F21-W116 AromaticContact CD2-NE1 3.54Å; F21-W116 AromaticContact CE2-CE2 3.89Å; F21-W116 AromaticContact CE2-CZ2 3.92Å; F21-W116 HydrophobicContact CE2-CZ2 3.92Å; F21-W116 AromaticContact CE2-NE1 3.97Å; F24-W116 HydrophobicContact CD1-CB 4.17Å; F24-W116 AromaticContact CD1-CD1 3.81Å; F24-W116 HydrophobicContact CD1-CG 4.14Å; F24-W116 HydrophobicContact CD2-CB 4.35Å; F24-W116 HydrophobicContact CE1-CB 3.6Å; F24-W116 AromaticContact CE1-CG 3.97Å; F24-W116 HydrophobicContact CE1-CG 3.97Å; F24-W116 HydrophobicContact CE2-CB 3.78Å; F24-W116 AromaticContact CG-CD1 3.96Å; F24-W116 HydrophobicContact CZ-CB 3.38Å; F24-W116 HydrophobicContact CZ-CG 4.22Å; F39-W116 HydrophobicContact CB-CH2 4.17Å; F39-W116 HydrophobicContact CB-CZ3 3.93Å; F39-W116 HydrophobicContact CD1-CD2 4.15Å; F39-W116 AromaticContact CD1-CE3 3.8Å; F39-W116 HydrophobicContact CD1-CE3 3.8Å; F39-W116 HydrophobicContact CD1-CH2 4.47Å; F39-W116 AromaticContact CD1-CZ3 3.97Å; F39-W116 HydrophobicContact CD1-CZ3 3.97Å; F39-W116 HydrophobicContact CG-CZ3 4.47Å; D40-W116 WeakPolarHBondContact O-CH2 3.5Å; D40-W116 VanDerWaalsContact O-CZ3 3.32Å; D40-W116 WeakPolarHBondContact O-CZ3 3.39Å; R41-W116 HydrophobicContact CG-CH2 4.32Å; Y104-W116 HydrophobicContact CD1-CB 4.43Å; R105-W116 WeakPolarHBondContact O-CA 3.49Å; N106-W116 HydrophobicContact CB-CD2 4.01Å; N106-W116 HydrophobicContact CB-CE3 4.05Å; N106-W116 HydrophobicContact CB-CH2 4.18Å; N106-W116 HydrophobicContact CB-CZ2 4.14Å; N106-W116 HydrophobicContact CB-CZ3 4.13Å; H114-W116 AromaticContact CG-NE1 3.99Å; H114-W116 AromaticContact ND1-NE1 3.51Å |
| 117 | R | 88.8 | Confident | 77.8 | Confident | 142 Ų | 142 | 63.5 Ų | 63.5 | 54% | 0.536 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 151.9 | 176.7 | -57.7 | -176.4 | -173 | -174.3 | 5.6 | 109.6 | Y104 R105 D115 E119 | Y104-R117 VanDerWaalsContact CA-O 3.27Å; Y104-R117 WeakPolarHBondContact CA-O 3.48Å; R105-R117 PolarHBondContact N-O 2.89Å; R105-R117 PolarHBondContact O-N 3.23Å; D115-R117 IonicContact OD1-CZ 3.22Å; D115-R117 IonicContact OD1-NE 2.66Å; D115-R117 PolarHBondContact OD1-NE 2.83Å; D115-R117 IonicContact OD1-NH2 2.74Å; D115-R117 PolarHBondContact OD1-NH2 2.9Å; D115-R117 IonicContact OD2-CZ 3.65Å; D115-R117 IonicContact OD2-NE 2.83Å; D115-R117 PolarHBondContact OD2-NE 2.74Å; D115-R117 IonicContact OD2-NH2 3.49Å; D115-R117 PolarHBondContact OD2-NH2 3.28Å; R117-E119 PolarHBondContact O-N 2.94Å |
| 118 | I | 87.4 | Confident | 77.4 | Confident | 67 Ų | 67 | 59.7 Ų | 59.7 | 34% | 0.344 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 116.8 | 172.5 | -59.3 | 173 | 0 | 0 | 0 | 106.5 | Y104 K121 | Y104-I118 HydrophobicContact CD1-CG1 4Å; Y104-I118 HydrophobicContact CE1-CB 4.49Å; Y104-I118 HydrophobicContact CE1-CD1 4.25Å; Y104-I118 HydrophobicContact CE1-CG1 3.35Å; Y104-I118 HydrophobicContact CE2-CG1 4.06Å; I118-K121 HydrophobicContact CG2-CD 4.48Å; I118-K121 HydrophobicContact CG2-CG 3.7Å |
| 119 | E | 84.2 | Confident | 77.1 | Confident | 44 Ų | 44 | 62 Ų | 62 | 21% | 0.206 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -41 | 174.9 | -163.6 | -177 | -170.8 | 0 | 0 | 109.8 | V103 R105 R117 | V103-E119 PolarHBondContact O-N 2.88Å; R105-E119 HydrophobicContact CB-CB 4.14Å; R105-E119 WeakPolarHBondContact CB-OE2 3.48Å; R105-E119 WeakPolarHBondContact CD-OE1 3.36Å; R105-E119 WeakPolarHBondContact CD-OE2 3.36Å; R105-E119 IonicContact CZ-OE1 3.2Å; R105-E119 IonicContact NH1-OE1 2.83Å; R105-E119 PolarHBondContact NH1-OE1 3.44Å; R105-E119 IonicContact NH1-OE2 3.45Å; R117-E119 PolarHBondContact O-N 2.94Å |
| 120 | Y | 80.5 | Confident | 77.6 | Confident | 86 Ų | 86 | 51.6 Ų | 51.6 | 34% | 0.337 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 144.9 | -179.3 | -44.7 | -73.6 | 0 | 0 | 0 | 112.6 | V103 Q129 | V103-Y120 HydrophobicContact CB-CD2 4.16Å; V103-Y120 HydrophobicContact CG1-CD2 4.07Å; V103-Y120 PolarHBondContact N-O 3.48Å; V103-Y120 PolarHBondContact O-N 2.84Å; Y120-Q129 HydrophobicContact CD1-CB 4.13Å; Y120-Q129 HydrophobicContact CD1-CG 4.5Å |
| 121 | K | 86.7 | Confident | 77.7 | Confident | 76 Ų | 76 | 50.9 Ų | 50.9 | 33% | 0.33 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 140.5 | 168.5 | -64.2 | 178.7 | -171.8 | 163.2 | 0 | 109.3 | V101 I118 Q129 E279 | V101-K121 CarbonylContact O-C 3.59Å; V101-K121 WeakPolarHBondContact O-CA 3.47Å; I118-K121 HydrophobicContact CG2-CD 4.48Å; I118-K121 HydrophobicContact CG2-CG 3.7Å; K121-Q129 PolarHBondContact O-OE1 3.09Å; K121-E279 IonicContact NZ-OE1 3.97Å; K121-E279 PolarHBondContact NZ-OE1 3.04Å |
| 122 | A | 85.8 | Confident | 78.1 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 147.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L94 R100 V101 N126 F130 | L94-A122 HydrophobicContact CD1-CB 3.67Å; L94-A122 HydrophobicContact CD2-CB 3.73Å; L94-A122 HydrophobicContact CG-CB 4.37Å; R100-A122 CarbonylContact C-O 3.59Å; R100-A122 WeakPolarHBondContact CA-O 3.47Å; V101-A122 HydrophobicContact CB-CB 4.39Å; V101-A122 PolarHBondContact N-O 3.42Å; V101-A122 PolarHBondContact O-N 3.38Å; A122-N126 WeakPolarHBondContact CA-O 3.11Å; A122-F130 HydrophobicContact CB-CD2 3.41Å; A122-F130 VanDerWaalsContact CB-CD2 3.41Å; A122-F130 HydrophobicContact CB-CE2 3.5Å; A122-F130 VanDerWaalsContact CB-CE2 3.5Å; A122-F130 HydrophobicContact CB-CG 4.12Å; A122-F130 HydrophobicContact CB-CZ 4.27Å |
| 123 | S | 86.8 | Confident | 78.5 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -139.7 | 166.7 | 169.1 | 66.3 | 0 | 0 | 0 | 0 | 108.3 | G125 N126 L127 E199 | S123-G125 PolarHBondContact O-N 3.22Å; S123-G125 VanDerWaalsContact O-N 3.1Å; S123-N126 PolarHBondContact N-O 2.65Å; S123-N126 CarbonylContact O-C 3.55Å; S123-N126 VanDerWaalsContact O-C 3.26Å; S123-N126 PolarHBondContact O-N 3.44Å; S123-N126 WeakPolarHBondContact OG-CB 3.49Å; S123-N126 PolarHBondContact OG-N 2.98Å; S123-N126 VanDerWaalsContact OG-N 3.14Å; S123-L127 VanDerWaalsContact O-CD2 3.31Å; S123-L127 WeakPolarHBondContact O-CD2 3.27Å; S123-E199 WeakPolarHBondContact CB-OE2 3.38Å; S123-E199 PolarHBondContact OG-OE2 2.96Å |
| 124 | P | 81.3 | Confident | 78.2 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -29.1 | 178.2 | -27.5 | 38.3 | 0 | 0 | 0 | 113.3 | Q98 Y99 K198 L224 | Q98-P124 HydrophobicContact CB-CG 3.94Å; Y99-P124 WeakPolarHBondContact O-CD 3.35Å; P124-K198 HydrophobicContact CB-CB 4.41Å; P124-K198 WeakPolarHBondContact O-CB 3.08Å; P124-L224 HydrophobicContact CG-CD2 3.99Å |
| 125 | G | 77.1 | Confident | 77.9 | Confident | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -15 | 174 | 0 | 0 | 0 | 0 | 0 | 115.4 | S123 C144 V147 E199 | S123-G125 PolarHBondContact O-N 3.22Å; S123-G125 VanDerWaalsContact O-N 3.1Å; G125-C144 PolarHBondContact O-SG 2.7Å; G125-V147 WeakPolarHBondContact O-CG2 3.32Å; G125-E199 PolarHBondContact N-OE2 2.91Å |
| 126 | N | 81.5 | Confident | 76.4 | Confident | 16 Ų | 16 | 39.5 Ų | 39.5 | 9% | 0.086 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -125.3 | 89 | 178.1 | -173.9 | 9.1 | 0 | 0 | 0 | 111.2 | A122 S123 T128 L278 | A122-N126 WeakPolarHBondContact CA-O 3.11Å; S123-N126 PolarHBondContact N-O 2.65Å; S123-N126 CarbonylContact O-C 3.55Å; S123-N126 VanDerWaalsContact O-C 3.26Å; S123-N126 PolarHBondContact O-N 3.44Å; S123-N126 WeakPolarHBondContact OG-CB 3.49Å; S123-N126 PolarHBondContact OG-N 2.98Å; S123-N126 VanDerWaalsContact OG-N 3.14Å; N126-T128 PolarHBondContact OD1-N 2.89Å; N126-T128 PolarHBondContact OD1-OG1 2.9Å; N126-L278 HydrophobicContact CB-CD2 3.74Å |
| 127 | L | 78.5 | Confident | 74.4 | Confident | 14 Ų | 14 | 42.3 Ų | 42.3 | 7% | 0.073 | 23% | 0.232 | C | C | . | . | trans | -98 | 3.3 | 176.8 | -55 | 179.6 | 0 | 0 | 0 | 112.8 | L94 L95 S123 Q129 F130 E131 L134 F135 | L94-L127 HydrophobicContact CB-CD2 4.05Å; L94-L127 HydrophobicContact CD1-CD2 3.77Å; L94-L127 HydrophobicContact CD2-CD2 4.44Å; L94-L127 HydrophobicContact CG-CD2 4.32Å; L95-L127 HydrophobicContact CD2-CD1 4.05Å; S123-L127 VanDerWaalsContact O-CD2 3.31Å; S123-L127 WeakPolarHBondContact O-CD2 3.27Å; L127-Q129 VanDerWaalsContact C-N 3.25Å; L127-Q129 PolarHBondContact O-N 2.88Å; L127-Q129 VanDerWaalsContact O-N 3.14Å; L127-F130 CarbonylContact O-C 3.49Å; L127-F130 PolarHBondContact O-N 2.84Å; L127-E131 PolarHBondContact O-N 2.91Å; L127-L134 HydrophobicContact CB-CD1 4.15Å; L127-L134 HydrophobicContact CD1-CD1 4.36Å; L127-L134 HydrophobicContact CD2-CD1 3.81Å; L127-L134 HydrophobicContact CG-CD1 4.34Å; L127-F135 HydrophobicContact CD1-CE2 4.17Å; L127-F135 HydrophobicContact CD1-CZ 4Å | ||
| 128 | T | 72.6 | Confident | 72 | Confident | 24 Ų | 24 | 38.8 Ų | 38.8 | 15% | 0.147 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -30.7 | -165.7 | 60.4 | 0 | 0 | 0 | 0 | 114.1 | N126 A169 R397 | N126-T128 PolarHBondContact OD1-N 2.89Å; N126-T128 PolarHBondContact OD1-OG1 2.9Å; T128-A169 HydrophobicContact CG2-CB 3.52Å; T128-R397 PolarHBondContact O-NH1 3.25Å; T128-R397 PolarHBondContact O-NH2 2.66Å |
| 129 | Q | 73.4 | Confident | 69.7 | Low | 77 Ų | 77 | 39.3 Ų | 39.3 | 36% | 0.36 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -14.2 | 179.7 | -65.7 | -177.3 | -21 | 0 | 0 | 113 | Y120 K121 L127 | Y120-Q129 HydrophobicContact CD1-CB 4.13Å; Y120-Q129 HydrophobicContact CD1-CG 4.5Å; K121-Q129 PolarHBondContact O-OE1 3.09Å; L127-Q129 VanDerWaalsContact C-N 3.25Å; L127-Q129 PolarHBondContact O-N 2.88Å; L127-Q129 VanDerWaalsContact O-N 3.14Å |
| 130 | F | 73.9 | Confident | 67.8 | Low | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 7.8 | -178.2 | -72.4 | -103.9 | 0 | 0 | 0 | 112.6 | F86 V90 V101 V103 A122 L127 D132 I133 L134 | F86-F130 AromaticContact CZ-CE1 3.85Å; F86-F130 HydrophobicContact CZ-CE1 3.85Å; V90-F130 HydrophobicContact CG1-CD1 3.7Å; V90-F130 HydrophobicContact CG1-CE1 3.95Å; V90-F130 HydrophobicContact CG1-CG 4.46Å; V90-F130 HydrophobicContact CG2-CE1 4.42Å; V101-F130 HydrophobicContact CG1-CZ 4.25Å; V103-F130 HydrophobicContact CB-CZ 4.38Å; V103-F130 HydrophobicContact CG2-CE1 3.93Å; V103-F130 HydrophobicContact CG2-CZ 3.54Å; A122-F130 HydrophobicContact CB-CD2 3.41Å; A122-F130 VanDerWaalsContact CB-CD2 3.41Å; A122-F130 HydrophobicContact CB-CE2 3.5Å; A122-F130 VanDerWaalsContact CB-CE2 3.5Å; A122-F130 HydrophobicContact CB-CG 4.12Å; A122-F130 HydrophobicContact CB-CZ 4.27Å; L127-F130 CarbonylContact O-C 3.49Å; L127-F130 PolarHBondContact O-N 2.84Å; F130-D132 VanDerWaalsContact C-N 3.31Å; F130-D132 PolarHBondContact O-N 3.44Å; F130-I133 HydrophobicContact CD1-CD1 3.78Å; F130-I133 HydrophobicContact CD1-CG2 4.36Å; F130-I133 HydrophobicContact CE1-CD1 4.34Å; F130-I133 HydrophobicContact CG-CD1 4.45Å; F130-I133 CarbonylContact O-C 3.45Å; F130-I133 WeakPolarHBondContact O-CA 3.38Å; F130-I133 WeakPolarHBondContact O-CB 3.48Å; F130-I133 PolarHBondContact O-N 2.95Å; F130-I133 VanDerWaalsContact O-N 3.08Å; F130-L134 HydrophobicContact CB-CD1 3.77Å; F130-L134 HydrophobicContact CB-CG 4.03Å; F130-L134 WeakPolarHBondContact O-CB 3.33Å; F130-L134 VanDerWaalsContact O-CG 3.24Å; F130-L134 WeakPolarHBondContact O-CG 3.33Å; F130-L134 PolarHBondContact O-N 2.82Å |
| 131 | E | 66.8 | Low | 66 | Low | 32 Ų | 32 | 36.6 Ų | 36.6 | 15% | 0.15 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.8 | -41.4 | -174.1 | -166.4 | -179.7 | 159.9 | 0 | 0 | 112.5 | L127 I133 L134 F135 K393 | L127-E131 PolarHBondContact O-N 2.91Å; E131-I133 VanDerWaalsContact C-N 3.32Å; E131-I133 PolarHBondContact O-N 3.5Å; E131-L134 PolarHBondContact O-N 3.28Å; E131-F135 HydrophobicContact CB-CD2 4.44Å; E131-F135 HydrophobicContact CG-CD2 3.77Å; E131-F135 HydrophobicContact CG-CE2 4.39Å; E131-F135 WeakPolarHBondContact O-CB 3.33Å; E131-F135 WeakPolarHBondContact O-CD2 3.46Å; E131-F135 PolarHBondContact O-N 2.78Å; E131-K393 WeakPolarHBondContact OE2-CD 3.44Å; E131-K393 VanDerWaalsContact OE2-CE 3.3Å; E131-K393 WeakPolarHBondContact OE2-CE 3.41Å; E131-K393 IonicContact OE2-NZ 3.66Å; E131-K393 PolarHBondContact OE2-NZ 2.95Å |
| 132 | D | 65.1 | Low | 64.3 | Low | 76 Ų | 76 | 38.7 Ų | 38.7 | 41% | 0.406 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68 | -34.5 | 177.1 | -71.6 | -39.9 | 0 | 0 | 0 | 112.7 | F130 G136 R390 | F130-D132 VanDerWaalsContact C-N 3.31Å; F130-D132 PolarHBondContact O-N 3.44Å; D132-G136 VanDerWaalsContact O-CA 3.24Å; D132-G136 WeakPolarHBondContact O-CA 3.45Å; D132-G136 PolarHBondContact O-N 3.14Å; D132-R390 IonicContact OD1-CZ 3.69Å; D132-R390 IonicContact OD1-NE 3.93Å; D132-R390 IonicContact OD1-NH2 3.64Å; D132-R390 PolarHBondContact OD1-NH2 3.31Å |
| 133 | I | 66.3 | Low | 62.4 | Low | 49 Ų | 49 | 40.1 Ų | 40.1 | 25% | 0.251 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.6 | -43.8 | 174.9 | -71.4 | 160.9 | 0 | 0 | 0 | 111.1 | F86 E87 F130 E131 | F86-I133 HydrophobicContact CE1-CD1 4Å; F86-I133 HydrophobicContact CE1-CG2 4.44Å; E87-I133 HydrophobicContact CB-CG2 3.88Å; E87-I133 HydrophobicContact CG-CG2 3.66Å; F130-I133 HydrophobicContact CD1-CD1 3.78Å; F130-I133 HydrophobicContact CD1-CG2 4.36Å; F130-I133 HydrophobicContact CE1-CD1 4.34Å; F130-I133 HydrophobicContact CG-CD1 4.45Å; F130-I133 CarbonylContact O-C 3.45Å; F130-I133 WeakPolarHBondContact O-CA 3.38Å; F130-I133 WeakPolarHBondContact O-CB 3.48Å; F130-I133 PolarHBondContact O-N 2.95Å; F130-I133 VanDerWaalsContact O-N 3.08Å; E131-I133 VanDerWaalsContact C-N 3.32Å; E131-I133 PolarHBondContact O-N 3.5Å |
| 134 | L | 63 | Low | 60.5 | Low | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -81.4 | -35.1 | -172.2 | -69.6 | 170.8 | 0 | 0 | 0 | 113 | V90 K91 L94 L127 F130 E131 | V90-L134 HydrophobicContact CG1-CD2 4.31Å; K91-L134 VanDerWaalsContact CA-CD2 3.47Å; K91-L134 HydrophobicContact CB-CD2 3.72Å; K91-L134 HydrophobicContact CG-CD2 4.1Å; L94-L134 HydrophobicContact CD1-CD1 3.88Å; L94-L134 HydrophobicContact CD1-CD2 4.37Å; L127-L134 HydrophobicContact CB-CD1 4.15Å; L127-L134 HydrophobicContact CD1-CD1 4.36Å; L127-L134 HydrophobicContact CD2-CD1 3.81Å; L127-L134 HydrophobicContact CG-CD1 4.34Å; F130-L134 HydrophobicContact CB-CD1 3.77Å; F130-L134 HydrophobicContact CB-CG 4.03Å; F130-L134 WeakPolarHBondContact O-CB 3.33Å; F130-L134 VanDerWaalsContact O-CG 3.24Å; F130-L134 WeakPolarHBondContact O-CG 3.33Å; F130-L134 PolarHBondContact O-N 2.82Å; E131-L134 PolarHBondContact O-N 3.28Å |
| 135 | F | 64.2 | Low | 59.3 | Low | 29 Ų | 29 | 41.3 Ų | 41.3 | 13% | 0.127 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -123.2 | 3 | -169.4 | -50.1 | -66.3 | 0 | 0 | 0 | 113.3 | L95 L127 E131 G137 G138 G141 R390 | L95-F135 HydrophobicContact CD1-CE1 4.48Å; L127-F135 HydrophobicContact CD1-CE2 4.17Å; L127-F135 HydrophobicContact CD1-CZ 4Å; E131-F135 HydrophobicContact CB-CD2 4.44Å; E131-F135 HydrophobicContact CG-CD2 3.77Å; E131-F135 HydrophobicContact CG-CE2 4.39Å; E131-F135 WeakPolarHBondContact O-CB 3.33Å; E131-F135 WeakPolarHBondContact O-CD2 3.46Å; E131-F135 PolarHBondContact O-N 2.78Å; F135-G137 PolarHBondContact O-N 3.37Å; F135-G137 VanDerWaalsContact O-N 3.13Å; F135-G138 PolarHBondContact O-N 2.88Å; F135-G141 VanDerWaalsContact CE1-CA 3.45Å; F135-R390 VanDerWaalsContact C-NH1 3.31Å; F135-R390 PolarHBondContact O-NH1 3.34Å |
| 136 | G | 51.6 | Low | 58.9 | Low | 51 Ų | 51 | 41.3 Ų | 41.3 | 53% | 0.526 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -29.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | D132 G138 | D132-G136 VanDerWaalsContact O-CA 3.24Å; D132-G136 WeakPolarHBondContact O-CA 3.45Å; D132-G136 PolarHBondContact O-N 3.14Å; G136-G138 VanDerWaalsContact C-N 3.32Å; G136-G138 PolarHBondContact O-N 2.97Å |
| 137 | G | 46.1 | Very low | 59.3 | Low | 77 Ų | 77 | 40.6 Ų | 40.6 | 79% | 0.794 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 9.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | F135 T139 | F135-G137 PolarHBondContact O-N 3.37Å; F135-G137 VanDerWaalsContact O-N 3.13Å; G137-T139 VanDerWaalsContact C-N 3.26Å; G137-T139 PolarHBondContact O-N 3.15Å |
| 138 | G | 39.8 | Very low | 60 | Low | 68 Ų | 68 | 40 Ų | 40 | 70% | 0.701 | 28% | 0.284 | S | S | * | . | S | Bend | trans | 77.2 | 1.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | F135 G136 G140 | F135-G138 PolarHBondContact O-N 2.88Å; G136-G138 VanDerWaalsContact C-N 3.32Å; G136-G138 PolarHBondContact O-N 2.97Å; G138-G140 PolarHBondContact O-N 3.32Å; G138-G140 VanDerWaalsContact O-N 3.08Å |
| 139 | T | 39 | Very low | 61 | Low | 78 Ų | 78 | 38.8 Ų | 38.8 | 48% | 0.479 | 28% | 0.277 | S | S | . | . | trans | -71.6 | 104.5 | 166.8 | 54.5 | 0 | 0 | 0 | 0 | 108.3 | K91 G137 G141 | K91-T139 PolarHBondContact NZ-OG1 3.09Å; G137-T139 VanDerWaalsContact C-N 3.26Å; G137-T139 PolarHBondContact O-N 3.15Å; T139-G141 PolarHBondContact O-N 3.24Å | ||
| 140 | G | 44.3 | Very low | 62 | Low | 48 Ų | 48 | 35.1 Ų | 35.1 | 50% | 0.495 | 26% | 0.26 | S | S | . | . | trans | -54.2 | 98.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | G138 E142 | G138-G140 PolarHBondContact O-N 3.32Å; G138-G140 VanDerWaalsContact O-N 3.08Å; G140-E142 PolarHBondContact O-N 2.9Å | ||
| 141 | G | 43 | Very low | 62.8 | Low | 24 Ų | 24 | 37.9 Ų | 37.9 | 25% | 0.247 | 27% | 0.27 | C | S | . | . | trans | -65.8 | 129.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | F135 T139 G143 | F135-G141 VanDerWaalsContact CE1-CA 3.45Å; T139-G141 PolarHBondContact O-N 3.24Å; G141-G143 PolarHBondContact O-N 2.98Å; G141-G143 VanDerWaalsContact O-N 3.16Å | ||
| 142 | E | 49.8 | Very low | 63.9 | Low | 121 Ų | 121 | 37.4 Ų | 37.4 | 57% | 0.565 | 27% | 0.268 | S | S | * | . | trans | -37.5 | 124.3 | 158.5 | -64.5 | -179.2 | 157.2 | 0 | 0 | 108.1 | G140 C144 K198 | G140-E142 PolarHBondContact O-N 2.9Å; E142-C144 PolarHBondContact O-N 3.46Å; E142-K198 IonicContact OE2-NZ 2.88Å; E142-K198 PolarHBondContact OE2-NZ 3.47Å | ||
| 143 | G | 45.7 | Very low | 64.9 | Low | 34 Ų | 34 | 35.4 Ų | 35.4 | 35% | 0.351 | 26% | 0.262 | S | S | . | . | trans | -45.5 | 135 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | G141 A145 | G141-G143 PolarHBondContact O-N 2.98Å; G141-G143 VanDerWaalsContact O-N 3.16Å; G143-A145 VanDerWaalsContact C-N 3.31Å; G143-A145 PolarHBondContact O-N 3.08Å | ||
| 144 | C | 46.5 | Very low | 65.7 | Low | 26 Ų | 26 | 37.9 Ų | 37.9 | 18% | 0.176 | 28% | 0.28 | C | S | . | . | trans | -55.4 | 97.8 | 178.5 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | G125 E142 G146 | G125-C144 PolarHBondContact O-SG 2.7Å; E142-C144 PolarHBondContact O-N 3.46Å; C144-G146 PolarHBondContact O-N 2.72Å | ||
| 145 | A | 56.3 | Low | 66.2 | Low | 13 Ų | 13 | 38.9 Ų | 38.9 | 11% | 0.107 | 29% | 0.291 | C | S | . | . | trans | -67.1 | 111.3 | 171 | 0 | 0 | 0 | 0 | 0 | 106.3 | G143 S196 K198 | G143-A145 VanDerWaalsContact C-N 3.31Å; G143-A145 PolarHBondContact O-N 3.08Å; A145-S196 WeakPolarHBondContact CB-O 3.49Å; A145-K198 HydrophobicContact CB-CG 4.46Å; A145-K198 PolarHBondContact O-N 2.93Å | ||
| 146 | G | 69.8 | Low | 66.3 | Low | 4 Ų | 4 | 42.7 Ų | 42.7 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | trans | -53.4 | 171.3 | -163.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | C144 V167 P197 | C144-G146 PolarHBondContact O-N 2.72Å; G146-V167 VanDerWaalsContact CA-O 3.23Å; G146-V167 WeakPolarHBondContact CA-O 3.28Å; G146-P197 WeakPolarHBondContact O-CA 3.35Å; G146-P197 WeakPolarHBondContact O-CB 3.44Å | ||
| 147 | V | 88.8 | Confident | 67.2 | Low | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 130.6 | 170.8 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | G125 Y166 V167 L201 V274 F277 L278 | G125-V147 WeakPolarHBondContact O-CG2 3.32Å; V147-Y166 WeakPolarHBondContact O-CA 3.29Å; V147-V167 PolarHBondContact N-O 3.17Å; V147-V167 PolarHBondContact O-N 3Å; V147-L201 HydrophobicContact CG1-CD1 3.89Å; V147-L201 HydrophobicContact CG1-CD2 3.91Å; V147-L201 HydrophobicContact CG1-CG 3.66Å; V147-V274 HydrophobicContact CB-CG1 3.97Å; V147-V274 HydrophobicContact CG1-CG1 4.1Å; V147-V274 HydrophobicContact CG1-CG2 4.49Å; V147-F277 HydrophobicContact CG1-CD1 3.87Å; V147-F277 HydrophobicContact CG1-CE1 4.1Å; V147-F277 HydrophobicContact CG2-CD1 4.18Å; V147-F277 HydrophobicContact CG2-CE1 3.96Å; V147-L278 HydrophobicContact CB-CD2 4.44Å; V147-L278 HydrophobicContact CG2-CD2 3.74Å; V147-L278 HydrophobicContact CG2-CG 4.38Å |
| 148 | V | 93.3 | Very high | 68.6 | Low | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 148.8 | 172.4 | 73.3 | 0 | 0 | 0 | 0 | 109.8 | V150 V164 G165 L192 P197 E199 C200 L201 | V148-V150 HydrophobicContact CG2-CG2 4.23Å; V148-V164 HydrophobicContact CG2-CG1 3.44Å; V148-V164 VanDerWaalsContact CG2-CG1 3.44Å; V148-G165 CarbonylContact C-O 3.6Å; V148-G165 WeakPolarHBondContact CA-O 3.46Å; V148-L192 HydrophobicContact CG1-CD2 4.02Å; V148-P197 HydrophobicContact CB-CB 4Å; V148-P197 HydrophobicContact CB-CG 4.11Å; V148-P197 HydrophobicContact CG1-CB 3.77Å; V148-P197 HydrophobicContact CG1-CG 3.56Å; V148-E199 PolarHBondContact N-O 3.25Å; V148-C200 HydrophobicContact CG1-CB 3.66Å; V148-C200 CarbonylContact O-C 3.57Å; V148-C200 VanDerWaalsContact O-CA 3.27Å; V148-C200 WeakPolarHBondContact O-CA 3.26Å; V148-L201 PolarHBondContact O-N 3.07Å |
| 149 | A | 94.2 | Very high | 70.6 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 139.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109 | V164 G165 L201 F233 C270 A273 V274 | A149-V164 WeakPolarHBondContact O-CA 3.5Å; A149-G165 PolarHBondContact N-O 2.85Å; A149-G165 PolarHBondContact O-N 2.8Å; A149-L201 WeakPolarHBondContact CA-O 3.33Å; A149-L201 HydrophobicContact CB-CB 3.9Å; A149-L201 HydrophobicContact CB-CD1 4.38Å; A149-L201 HydrophobicContact CB-CG 4.45Å; A149-F233 HydrophobicContact CB-CE1 4.11Å; A149-C270 HydrophobicContact CB-CB 3.87Å; A149-C270 WeakPolarHBondContact CB-O 3.47Å; A149-C270 WeakPolarHBondContact O-CB 3.44Å; A149-A273 HydrophobicContact CB-CB 4.33Å; A149-V274 HydrophobicContact CB-CG2 3.43Å; A149-V274 VanDerWaalsContact CB-CG2 3.43Å |
| 150 | V | 93.6 | Very high | 72.9 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 135.3 | -178.2 | -173.4 | 0 | 0 | 0 | 0 | 109.4 | V148 V162 V164 L188 L201 L202 L214 | V148-V150 HydrophobicContact CG2-CG2 4.23Å; V150-V162 HydrophobicContact CG1-CG1 3.84Å; V150-V164 HydrophobicContact CG1-CG2 4.29Å; V150-V164 HydrophobicContact CG2-CG2 4.21Å; V150-L188 HydrophobicContact CG1-CD1 3.87Å; V150-L188 HydrophobicContact CG1-CD2 3.9Å; V150-L188 HydrophobicContact CG2-CD1 4.04Å; V150-L201 PolarHBondContact N-O 3.36Å; V150-L201 VanDerWaalsContact N-O 3.16Å; V150-L202 HydrophobicContact CB-CD2 4.02Å; V150-L214 HydrophobicContact CG1-CD1 3.98Å; V150-L214 HydrophobicContact CG1-CD2 4.43Å |
| 151 | R | 91.2 | Very high | 75.1 | Confident | 59 Ų | 59 | 45.5 Ų | 45.5 | 22% | 0.223 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 149.4 | 173.7 | -172.9 | 175.2 | 174.4 | -169.4 | -6.5 | 108.8 | G163 V266 S269 C270 | R151-G163 PolarHBondContact N-O 3.02Å; R151-G163 PolarHBondContact O-N 3.14Å; R151-G163 VanDerWaalsContact O-O 3.14Å; R151-V266 HydrophobicContact CB-CG1 4.4Å; R151-S269 PolarHBondContact NH1-OG 3.35Å; R151-C270 WeakPolarHBondContact CB-SG 3.39Å; R151-C270 PolarHBondContact N-SG 3.15Å |
| 152 | F | 89.4 | Confident | 77.4 | Confident | 21 Ų | 21 | 44.3 Ų | 44.3 | 9% | 0.092 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 154.1 | 171.6 | 63 | -80.6 | 0 | 0 | 0 | 110.7 | R160 V161 V162 E210 L214 | F152-R160 HydrophobicContact CB-CG 4.23Å; F152-R160 HydrophobicContact CD2-CG 4.42Å; F152-V161 CarbonylContact C-O 3.53Å; F152-V161 VanDerWaalsContact CA-O 3.29Å; F152-V161 WeakPolarHBondContact CA-O 3.32Å; F152-V162 HydrophobicContact CB-CG2 4.25Å; F152-E210 HydrophobicContact CE2-CB 4.09Å; F152-E210 VanDerWaalsContact CE2-OE2 3.31Å; F152-E210 WeakPolarHBondContact CE2-OE2 3.29Å; F152-E210 HydrophobicContact CZ-CB 3.93Å; F152-L214 HydrophobicContact CD1-CD2 3.92Å; F152-L214 HydrophobicContact CE1-CD2 4.07Å |
| 153 | A | 86.5 | Confident | 79.5 | Confident | 35 Ų | 35 | 38.6 Ų | 38.6 | 29% | 0.289 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 155.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109 | V161 V266 | A153-V161 PolarHBondContact N-O 3.15Å; A153-V161 PolarHBondContact O-N 3.02Å; A153-V266 HydrophobicContact CB-CG2 3.97Å |
| 154 | T | 83.6 | Confident | 81.8 | Confident | 101 Ų | 101 | 37 Ų | 37 | 62% | 0.62 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 119.3 | 170.5 | -47.5 | 0 | 0 | 0 | 0 | 107.8 | ||
| 155 | G | 73.6 | Confident | 84.1 | Confident | 26 Ų | 26 | 35.8 Ų | 35.8 | 27% | 0.268 | 23% | 0.227 | S | C | . | . | trans | -67.2 | 170.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D157 G158 Q159 | G155-D157 PolarHBondContact O-N 3.27Å; G155-G158 PolarHBondContact O-N 2.92Å; G155-Q159 PolarHBondContact N-O 3.25Å | ||
| 156 | A | 65.7 | Low | 85.8 | Confident | 110 Ų | 110 | 36.7 Ų | 36.7 | 91% | 0.909 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -30.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | G158 | A156-G158 VanDerWaalsContact C-N 3.26Å; A156-G158 PolarHBondContact O-N 2.8Å |
| 157 | D | 71.1 | Confident | 86.7 | Confident | 150 Ų | 150 | 36.5 Ų | 36.5 | 80% | 0.802 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | 8.1 | -179.7 | -56 | -34.1 | 0 | 0 | 0 | 113.3 | G155 Q159 | G155-D157 PolarHBondContact O-N 3.27Å; D157-Q159 PolarHBondContact O-N 3.27Å |
| 158 | G | 75.9 | Confident | 86.5 | Confident | 55 Ų | 55 | 37.5 Ų | 37.5 | 57% | 0.567 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 76.8 | -8.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | G155 A156 | G155-G158 PolarHBondContact O-N 2.92Å; A156-G158 VanDerWaalsContact C-N 3.26Å; A156-G158 PolarHBondContact O-N 2.8Å |
| 159 | Q | 81.3 | Confident | 85.7 | Confident | 114 Ų | 114 | 37.9 Ų | 37.9 | 53% | 0.533 | 23% | 0.234 | S | C | . | . | trans | -72.3 | 136.9 | 175.1 | -167.5 | 169.4 | 12.7 | 0 | 0 | 111 | G155 D157 V161 P180 | G155-Q159 PolarHBondContact N-O 3.25Å; D157-Q159 PolarHBondContact O-N 3.27Å; Q159-V161 PolarHBondContact O-N 3.22Å; Q159-P180 HydrophobicContact CG-CB 4.16Å | ||
| 160 | R | 86.8 | Confident | 84.6 | Confident | 32 Ų | 32 | 39 Ų | 39 | 12% | 0.121 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 128.7 | 177.9 | -171.5 | -175.1 | -63.9 | 161.9 | 2.5 | 110 | F152 P180 D181 N182 E210 | F152-R160 HydrophobicContact CB-CG 4.23Å; F152-R160 HydrophobicContact CD2-CG 4.42Å; R160-P180 WeakPolarHBondContact O-CA 3.45Å; R160-D181 PolarHBondContact O-N 3.08Å; R160-D181 VanDerWaalsContact O-N 3.13Å; R160-N182 PolarHBondContact NH1-O 3.36Å; R160-E210 IonicContact CZ-OE1 3.17Å; R160-E210 IonicContact NE-OE1 2.7Å; R160-E210 IonicContact NH2-OE1 2.7Å; R160-E210 PolarHBondContact NH2-OE1 2.64Å; R160-E210 IonicContact NH2-OE2 2.72Å |
| 161 | V | 90.8 | Very high | 83.6 | Confident | 29 Ų | 29 | 43 Ų | 43 | 18% | 0.176 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 126.1 | 175.3 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | F152 A153 Q159 E178 | F152-V161 CarbonylContact C-O 3.53Å; F152-V161 VanDerWaalsContact CA-O 3.29Å; F152-V161 WeakPolarHBondContact CA-O 3.32Å; A153-V161 PolarHBondContact N-O 3.15Å; A153-V161 PolarHBondContact O-N 3.02Å; Q159-V161 PolarHBondContact O-N 3.22Å; V161-E178 HydrophobicContact CG1-CG 3.39Å; V161-E178 WeakPolarHBondContact CG1-OE1 3.34Å |
| 162 | V | 92.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125 | 176.6 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | V150 F152 V164 E178 F179 D181 F185 L188 | V150-V162 HydrophobicContact CG1-CG1 3.84Å; F152-V162 HydrophobicContact CB-CG2 4.25Å; V162-V164 HydrophobicContact CG1-CG2 4.13Å; V162-E178 WeakPolarHBondContact O-CA 3.5Å; V162-F179 HydrophobicContact CB-CD2 4.38Å; V162-F179 HydrophobicContact CB-CE2 3.97Å; V162-F179 HydrophobicContact CB-CZ 4.2Å; V162-F179 HydrophobicContact CG1-CE2 4.29Å; V162-F179 HydrophobicContact CG1-CZ 4.09Å; V162-F179 PolarHBondContact N-O 3.42Å; V162-F179 PolarHBondContact O-N 3.43Å; V162-D181 HydrophobicContact CG2-CB 3.66Å; V162-F185 HydrophobicContact CG2-CD1 3.92Å; V162-F185 HydrophobicContact CG2-CE1 3.89Å; V162-L188 HydrophobicContact CG1-CD1 4.24Å |
| 163 | G | 93.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.6 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | R151 C270 | R151-G163 PolarHBondContact N-O 3.02Å; R151-G163 PolarHBondContact O-N 3.14Å; R151-G163 VanDerWaalsContact O-O 3.14Å; G163-C270 PolarHBondContact O-SG 3.35Å |
| 164 | V | 94.1 | Very high | 83.1 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 127.9 | -179.7 | 175.5 | 0 | 0 | 0 | 0 | 108 | V148 A149 V150 V162 C177 F179 L188 L191 I195 | V148-V164 HydrophobicContact CG2-CG1 3.44Å; V148-V164 VanDerWaalsContact CG2-CG1 3.44Å; A149-V164 WeakPolarHBondContact O-CA 3.5Å; V150-V164 HydrophobicContact CG1-CG2 4.29Å; V150-V164 HydrophobicContact CG2-CG2 4.21Å; V162-V164 HydrophobicContact CG1-CG2 4.13Å; V164-C177 HydrophobicContact CB-CB 4.33Å; V164-C177 PolarHBondContact N-O 3.39Å; V164-C177 PolarHBondContact O-N 2.91Å; V164-F179 HydrophobicContact CG2-CE1 4Å; V164-F179 HydrophobicContact CG2-CZ 4.15Å; V164-L188 HydrophobicContact CG2-CD1 3.71Å; V164-L191 HydrophobicContact CB-CD2 3.92Å; V164-L191 HydrophobicContact CG1-CD2 3.87Å; V164-L191 HydrophobicContact CG2-CD2 3.82Å; V164-I195 HydrophobicContact CG1-CD1 4.48Å |
| 165 | G | 94 | Very high | 83.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 134.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109 | V148 A149 G175 V274 | V148-G165 CarbonylContact C-O 3.6Å; V148-G165 WeakPolarHBondContact CA-O 3.46Å; A149-G165 PolarHBondContact N-O 2.85Å; A149-G165 PolarHBondContact O-N 2.8Å; G165-G175 WeakPolarHBondContact CA-O 3.34Å; G165-V274 WeakPolarHBondContact O-CG2 3.25Å |
| 166 | Y | 92.1 | Very high | 84.4 | Confident | 32 Ų | 32 | 33 Ų | 33 | 13% | 0.125 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 156 | 174.8 | 78.8 | -83.9 | 0 | 0 | 0 | 111 | V147 D168 G175 I195 L295 | V147-Y166 WeakPolarHBondContact O-CA 3.29Å; Y166-D168 HydrophobicContact CE2-CB 4.47Å; Y166-G175 PolarHBondContact N-O 3.24Å; Y166-G175 PolarHBondContact O-N 3.17Å; Y166-I195 HydrophobicContact CD1-CD1 3.9Å; Y166-I195 HydrophobicContact CE1-CD1 4.31Å; Y166-I195 HydrophobicContact CG-CD1 4.32Å; Y166-I195 HydrophobicContact CG-CG2 4.48Å; Y166-L295 HydrophobicContact CD1-CD1 4.32Å; Y166-L295 HydrophobicContact CE1-CD1 3.32Å |
| 167 | V | 90.4 | Very high | 85.7 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 120 | 172.8 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | G146 V147 M174 L271 V274 L278 L280 F290 | G146-V167 VanDerWaalsContact CA-O 3.23Å; G146-V167 WeakPolarHBondContact CA-O 3.28Å; V147-V167 PolarHBondContact N-O 3.17Å; V147-V167 PolarHBondContact O-N 3Å; V167-M174 HydrophobicContact CG1-CG 4.45Å; V167-M174 HydrophobicContact CG2-CG 4.14Å; V167-L271 HydrophobicContact CG2-CD1 3.71Å; V167-V274 HydrophobicContact CB-CG1 3.76Å; V167-V274 HydrophobicContact CG2-CB 4.13Å; V167-V274 HydrophobicContact CG2-CG1 3.53Å; V167-L278 HydrophobicContact CB-CD1 3.78Å; V167-L278 HydrophobicContact CG1-CD1 3.85Å; V167-L278 HydrophobicContact CG2-CD1 4.48Å; V167-L280 HydrophobicContact CG1-CD1 4.13Å; V167-F290 HydrophobicContact CG1-CD1 4.41Å; V167-F290 HydrophobicContact CG1-CE1 3.75Å; V167-F290 HydrophobicContact CG1-CZ 4.46Å |
| 168 | D | 83.5 | Confident | 86.6 | Confident | 22 Ų | 22 | 24 Ų | 24 | 12% | 0.118 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 102.2 | 164.2 | -168.8 | -30.5 | 0 | 0 | 0 | 108.4 | Y166 A170 Q171 R172 T173 | Y166-D168 HydrophobicContact CE2-CB 4.47Å; D168-A170 VanDerWaalsContact C-N 3.25Å; D168-A170 PolarHBondContact O-N 3.49Å; D168-A170 WeakPolarHBondContact OD1-CA 3.11Å; D168-A170 VanDerWaalsContact OD1-CB 3.27Å; D168-A170 WeakPolarHBondContact OD1-CB 3.46Å; D168-A170 PolarHBondContact OD1-N 2.9Å; D168-Q171 HydrophobicContact CB-CB 4.23Å; D168-Q171 PolarHBondContact OD1-N 3.38Å; D168-R172 WeakPolarHBondContact O-CA 3.22Å; D168-R172 PolarHBondContact O-N 3.44Å; D168-T173 PolarHBondContact N-O 2.84Å; D168-T173 PolarHBondContact O-N 2.89Å; D168-T173 VanDerWaalsContact O-N 3.15Å |
| 169 | A | 75.5 | Confident | 87.4 | Confident | 7 Ų | 7 | 21.9 Ų | 21.9 | 6% | 0.058 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -16.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T128 | T128-A169 HydrophobicContact CG2-CB 3.52Š|
| 170 | A | 71.8 | Confident | 87.7 | Confident | 23 Ų | 23 | 19.5 Ų | 19.5 | 19% | 0.19 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -65.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | D168 R172 H389 | D168-A170 VanDerWaalsContact C-N 3.25Å; D168-A170 PolarHBondContact O-N 3.49Å; D168-A170 WeakPolarHBondContact OD1-CA 3.11Å; D168-A170 VanDerWaalsContact OD1-CB 3.27Å; D168-A170 WeakPolarHBondContact OD1-CB 3.46Å; D168-A170 PolarHBondContact OD1-N 2.9Å; A170-R172 PolarHBondContact O-N 2.89Å; A170-H389 PolarHBondContact O-CE1 2.94Å; A170-H389 PolarHBondContact O-NE2 3.34Å |
| 171 | Q | 73.3 | Confident | 87.8 | Confident | 86 Ų | 86 | 18.6 Ų | 18.6 | 40% | 0.402 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -5.4 | -175.3 | -63.8 | -171.2 | -19.8 | 0 | 0 | 114.3 | D168 T173 | D168-Q171 HydrophobicContact CB-CB 4.23Å; D168-Q171 PolarHBondContact OD1-N 3.38Å; Q171-T173 HydrophobicContact CB-CG2 4.12Å; Q171-T173 PolarHBondContact O-N 2.86Å |
| 172 | R | 79.4 | Confident | 87.5 | Confident | 10 Ų | 10 | 19 Ų | 19 | 4% | 0.038 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 37.1 | -174.6 | -56.1 | -60.5 | -161.9 | 167 | 11.5 | 112 | D168 A170 S285 N286 S289 F290 S291 | D168-R172 WeakPolarHBondContact O-CA 3.22Å; D168-R172 PolarHBondContact O-N 3.44Å; A170-R172 PolarHBondContact O-N 2.89Å; R172-S285 PolarHBondContact NH2-O 3.44Å; R172-S285 VanDerWaalsContact NH2-O 3.14Å; R172-N286 PolarHBondContact NH1-OD1 3.21Å; R172-S289 WeakPolarHBondContact CB-O 3.48Å; R172-F290 HydrophobicContact CB-CD1 4.17Å; R172-F290 HydrophobicContact CB-CE1 4.39Å; R172-F290 CarbonylContact O-C 3.56Å; R172-F290 WeakPolarHBondContact O-CA 3.41Å; R172-F290 WeakPolarHBondContact O-CD1 3.47Å; R172-S291 PolarHBondContact O-N 2.9Å |
| 173 | T | 85.7 | Confident | 86.9 | Confident | 22 Ų | 22 | 24 Ų | 24 | 14% | 0.135 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 133.9 | 176.8 | 60.3 | 0 | 0 | 0 | 0 | 110.7 | D168 Q171 | D168-T173 PolarHBondContact N-O 2.84Å; D168-T173 PolarHBondContact O-N 2.89Å; D168-T173 VanDerWaalsContact O-N 3.15Å; Q171-T173 HydrophobicContact CB-CG2 4.12Å; Q171-T173 PolarHBondContact O-N 2.86Å |
| 174 | M | 91 | Very high | 86.2 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128.9 | 168.1 | -62.8 | -173.4 | 176.1 | 0 | 0 | 107.8 | V167 L242 L245 L271 V275 L280 F290 S291 L292 T293 | V167-M174 HydrophobicContact CG1-CG 4.45Å; V167-M174 HydrophobicContact CG2-CG 4.14Å; M174-L242 HydrophobicContact SD-CD2 3.97Å; M174-L245 HydrophobicContact CE-CB 3.98Å; M174-L245 HydrophobicContact CE-CD1 3.8Å; M174-L245 HydrophobicContact CE-CG 4.37Å; M174-L271 HydrophobicContact CB-CD1 4.14Å; M174-L271 HydrophobicContact CB-CD2 4.44Å; M174-V275 HydrophobicContact CE-CG2 4.36Å; M174-L280 HydrophobicContact CE-CD1 3.66Å; M174-F290 HydrophobicContact CE-CB 3.76Å; M174-F290 HydrophobicContact CE-CD1 3.65Å; M174-F290 HydrophobicContact CE-CD2 3.74Å; M174-F290 HydrophobicContact CE-CE1 4.15Å; M174-F290 HydrophobicContact CE-CE2 4.24Å; M174-F290 HydrophobicContact CE-CG 3.43Å; M174-F290 VanDerWaalsContact CE-CG 3.43Å; M174-F290 HydrophobicContact CE-CZ 4.42Å; M174-F290 HydrophobicContact CG-CB 4.06Å; M174-F290 HydrophobicContact CG-CD1 3.81Å; M174-F290 HydrophobicContact CG-CG 4.17Å; M174-F290 HydrophobicContact SD-CB 4.16Å; M174-F290 HydrophobicContact SD-CG 4.39Å; M174-S291 PolarHBondContact N-O 3.08Å; M174-L292 HydrophobicContact CB-CD1 3.92Å; M174-L292 CarbonylContact O-C 3.59Å; M174-L292 WeakPolarHBondContact O-CA 3.19Å; M174-T293 PolarHBondContact O-N 2.83Å; M174-T293 PolarHBondContact O-OG1 3Å |
| 175 | G | 90.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 143.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G165 Y166 T293 | G165-G175 WeakPolarHBondContact CA-O 3.34Å; Y166-G175 PolarHBondContact N-O 3.24Å; Y166-G175 PolarHBondContact O-N 3.17Å; G175-T293 VanDerWaalsContact CA-O 3.23Å; G175-T293 WeakPolarHBondContact CA-O 3.31Å |
| 176 | V | 93.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 136.7 | 178.9 | -67.4 | 0 | 0 | 0 | 0 | 110.8 | E261 A267 M268 L271 L292 T293 T294 L295 | V176-E261 HydrophobicContact CG2-CB 3.96Å; V176-E261 HydrophobicContact CG2-CG 4.02Å; V176-A267 HydrophobicContact CB-CB 3.96Å; V176-A267 HydrophobicContact CG1-CB 4.41Å; V176-M268 HydrophobicContact CG1-SD 3.9Å; V176-L271 HydrophobicContact CG1-CB 4.1Å; V176-L271 HydrophobicContact CG1-CD2 3.85Å; V176-L271 HydrophobicContact CG1-CG 4.46Å; V176-L292 HydrophobicContact CG1-CD1 4.26Å; V176-L292 HydrophobicContact CG2-CD1 4.45Å; V176-T293 PolarHBondContact N-O 3.19Å; V176-T294 WeakPolarHBondContact O-CA 3.15Å; V176-L295 PolarHBondContact O-N 2.91Å |
| 177 | C | 92.5 | Very high | 85.2 | Confident | 6 Ų | 6 | 26 Ų | 26 | 4% | 0.041 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 132.3 | 178.8 | -165.5 | 0 | 0 | 0 | 0 | 109.3 | V164 F179 L191 A267 L295 | V164-C177 HydrophobicContact CB-CB 4.33Å; V164-C177 PolarHBondContact N-O 3.39Å; V164-C177 PolarHBondContact O-N 2.91Å; C177-F179 HydrophobicContact CB-CD1 4.45Å; C177-F179 HydrophobicContact CB-CE1 4.39Å; C177-F179 WeakPolarHBondContact SG-CD1 3.28Å; C177-L191 HydrophobicContact CB-CD2 4.1Å; C177-A267 WeakPolarHBondContact O-CB 3.45Å; C177-L295 HydrophobicContact CB-CB 4.21Å; C177-L295 PolarHBondContact SG-O 3.24Å |
| 178 | E | 92 | Very high | 85.2 | Confident | 63 Ų | 63 | 25.9 Ų | 25.9 | 29% | 0.294 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 127.7 | 175.9 | -168.5 | 166 | 145.1 | 0 | 0 | 108 | V161 V162 K264 Q265 V266 A267 | V161-E178 HydrophobicContact CG1-CG 3.39Å; V161-E178 WeakPolarHBondContact CG1-OE1 3.34Å; V162-E178 WeakPolarHBondContact O-CA 3.5Å; E178-K264 HydrophobicContact CB-CB 4.06Å; E178-K264 HydrophobicContact CB-CD 4.07Å; E178-K264 HydrophobicContact CB-CG 3.99Å; E178-K264 WeakPolarHBondContact OE2-CA 3.39Å; E178-K264 WeakPolarHBondContact OE2-CB 3.45Å; E178-Q265 PolarHBondContact OE2-N 3.47Å; E178-V266 PolarHBondContact OE2-N 3.34Å; E178-V266 VanDerWaalsContact OE2-N 3.17Å; E178-A267 HydrophobicContact CB-CB 4.24Å; E178-A267 PolarHBondContact OE2-N 2.85Å |
| 179 | F | 90.9 | Very high | 85.4 | Confident | 12 Ų | 12 | 25.1 Ų | 25.1 | 5% | 0.053 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 152.7 | -174.5 | 51.6 | -88.5 | 0 | 0 | 0 | 112 | V162 V164 C177 D181 N187 L188 L191 L297 | V162-F179 HydrophobicContact CB-CD2 4.38Å; V162-F179 HydrophobicContact CB-CE2 3.97Å; V162-F179 HydrophobicContact CB-CZ 4.2Å; V162-F179 HydrophobicContact CG1-CE2 4.29Å; V162-F179 HydrophobicContact CG1-CZ 4.09Å; V162-F179 PolarHBondContact N-O 3.42Å; V162-F179 PolarHBondContact O-N 3.43Å; V164-F179 HydrophobicContact CG2-CE1 4Å; V164-F179 HydrophobicContact CG2-CZ 4.15Å; C177-F179 HydrophobicContact CB-CD1 4.45Å; C177-F179 HydrophobicContact CB-CE1 4.39Å; C177-F179 WeakPolarHBondContact SG-CD1 3.28Å; F179-D181 HydrophobicContact CD2-CB 4.41Å; F179-D181 HydrophobicContact CE2-CB 4.38Å; F179-N187 HydrophobicContact CD2-CB 3.66Å; F179-N187 HydrophobicContact CE2-CB 3.58Å; F179-L188 HydrophobicContact CE2-CB 4.31Å; F179-L188 HydrophobicContact CZ-CB 4.25Å; F179-L188 HydrophobicContact CZ-CD1 4.37Å; F179-L191 HydrophobicContact CE1-CD2 3.5Å; F179-L191 HydrophobicContact CZ-CD2 3.91Å; F179-L297 HydrophobicContact CB-CD1 3.64Å; F179-L297 HydrophobicContact CD1-CD1 3.69Å; F179-L297 HydrophobicContact CD1-CG 4.23Å; F179-L297 HydrophobicContact CD2-CD1 3.68Å; F179-L297 HydrophobicContact CE1-CD1 4.23Å; F179-L297 HydrophobicContact CE2-CD1 4.22Å; F179-L297 HydrophobicContact CG-CD1 3.38Å; F179-L297 HydrophobicContact CG-CG 4.38Å; F179-L297 HydrophobicContact CZ-CD1 4.46Å |
| 180 | P | 89.3 | Confident | 86 | Confident | 64 Ų | 64 | 25.1 Ų | 25.1 | 42% | 0.416 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 144.8 | 169.4 | 30 | -33.1 | 0 | 0 | 0 | 110.7 | Q159 R160 N187 | Q159-P180 HydrophobicContact CG-CB 4.16Å; R160-P180 WeakPolarHBondContact O-CA 3.45Å; P180-N187 PolarHBondContact O-ND2 3.35Å |
| 181 | D | 88.3 | Confident | 86.9 | Confident | 13 Ų | 13 | 24 Ų | 24 | 7% | 0.07 | 13% | 0.125 | C | C | . | . | trans | -137.6 | 161 | 177.7 | -147.1 | -15.9 | 0 | 0 | 0 | 112.3 | R160 V162 F179 F185 S186 N187 L188 | R160-D181 PolarHBondContact O-N 3.08Å; R160-D181 VanDerWaalsContact O-N 3.13Å; V162-D181 HydrophobicContact CG2-CB 3.66Å; F179-D181 HydrophobicContact CD2-CB 4.41Å; F179-D181 HydrophobicContact CE2-CB 4.38Å; D181-F185 HydrophobicContact CB-CD1 4.45Å; D181-F185 VanDerWaalsContact OD2-CA 3.24Å; D181-F185 WeakPolarHBondContact OD2-CA 3.32Å; D181-S186 PolarHBondContact OD1-N 2.99Å; D181-N187 PolarHBondContact OD1-N 2.74Å; D181-N187 PolarHBondContact OD2-N 2.8Å; D181-L188 WeakPolarHBondContact OD2-CB 3.18Å; D181-L188 PolarHBondContact OD2-N 2.98Å | ||
| 182 | N | 83.8 | Confident | 87.7 | Confident | 38 Ų | 38 | 20.5 Ų | 20.5 | 20% | 0.203 | 11% | 0.108 | C | C | . | . | trans | -87.6 | 178.2 | 177.4 | 64.6 | 30.8 | 0 | 0 | 0 | 111.7 | R160 I184 F185 S186 | R160-N182 PolarHBondContact NH1-O 3.36Å; N182-I184 PolarHBondContact O-N 3.08Å; N182-I184 VanDerWaalsContact O-N 3.11Å; N182-I184 PolarHBondContact OD1-N 3.14Å; N182-F185 PolarHBondContact O-N 3.24Å; N182-F185 PolarHBondContact OD1-N 3.19Å; N182-S186 PolarHBondContact ND2-OG 3.17Å; N182-S186 PolarHBondContact OD1-N 3.38Å | ||
| 183 | E | 79.8 | Confident | 88.1 | Confident | 104 Ų | 104 | 20.7 Ų | 20.7 | 49% | 0.486 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18 | -178.7 | -67.3 | 176.7 | -159.9 | 0 | 0 | 114.7 | ||
| 184 | I | 78.9 | Confident | 88.2 | Confident | 32 Ų | 32 | 19.8 Ų | 19.8 | 16% | 0.164 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -6.8 | -175.3 | -48.5 | 174.5 | 0 | 0 | 0 | 110.9 | N182 V217 A734 A735 | N182-I184 PolarHBondContact O-N 3.08Å; N182-I184 VanDerWaalsContact O-N 3.11Å; N182-I184 PolarHBondContact OD1-N 3.14Å; I184-V217 WeakPolarHBondContact O-CG2 3.3Å; I184-A734 HydrophobicContact CD1-CB 4.26Å; I184-A735 HydrophobicContact CG2-CB 4.08Å |
| 185 | F | 87.1 | Confident | 88 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | 60.3 | 44.1 | -178.7 | -59.2 | -78 | 0 | 0 | 0 | 114.4 | V162 D181 N182 N187 L188 E189 K213 L214 V217 | V162-F185 HydrophobicContact CG2-CD1 3.92Å; V162-F185 HydrophobicContact CG2-CE1 3.89Å; D181-F185 HydrophobicContact CB-CD1 4.45Å; D181-F185 VanDerWaalsContact OD2-CA 3.24Å; D181-F185 WeakPolarHBondContact OD2-CA 3.32Å; N182-F185 PolarHBondContact O-N 3.24Å; N182-F185 PolarHBondContact OD1-N 3.19Å; F185-N187 PolarHBondContact O-N 3.1Å; F185-L188 HydrophobicContact CB-CB 4.07Å; F185-L188 HydrophobicContact CB-CD2 4.2Å; F185-L188 HydrophobicContact CD1-CD2 4.39Å; F185-L188 HydrophobicContact CG-CD2 4.47Å; F185-L188 PolarHBondContact O-N 2.89Å; F185-E189 PolarHBondContact O-N 3.43Å; F185-K213 HydrophobicContact CD2-CB 4.48Å; F185-K213 HydrophobicContact CE2-CB 4.17Å; F185-L214 HydrophobicContact CD1-CD1 4.36Å; F185-L214 HydrophobicContact CD2-CB 4.46Å; F185-L214 HydrophobicContact CE1-CD1 4.29Å; F185-L214 HydrophobicContact CE2-CB 3.91Å; F185-L214 HydrophobicContact CE2-CD1 4.46Å; F185-L214 HydrophobicContact CG-CD1 4.46Å; F185-L214 HydrophobicContact CZ-CB 4.13Å; F185-L214 HydrophobicContact CZ-CD1 4.33Å; F185-V217 HydrophobicContact CB-CG1 4.44Å; F185-V217 HydrophobicContact CB-CG2 4.25Å | ||
| 186 | S | 83.7 | Confident | 87.7 | Confident | 7 Ų | 7 | 22.4 Ų | 22.4 | 5% | 0.049 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.2 | -37 | -177.2 | 58.2 | 0 | 0 | 0 | 0 | 113.6 | D181 N182 E189 S190 S739 | D181-S186 PolarHBondContact OD1-N 2.99Å; N182-S186 PolarHBondContact ND2-OG 3.17Å; N182-S186 PolarHBondContact OD1-N 3.38Å; S186-E189 PolarHBondContact O-N 3.31Å; S186-S190 PolarHBondContact O-N 2.89Å; S186-S190 VanDerWaalsContact O-N 3.07Å; S186-S190 PolarHBondContact O-OG 3.26Å; S186-S739 WeakPolarHBondContact CB-OG 3.3Å; S186-S739 PolarHBondContact OG-OG 3.4Å |
| 187 | N | 88.3 | Confident | 87.5 | Confident | 35 Ų | 35 | 22.6 Ų | 22.6 | 19% | 0.187 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.9 | -38.9 | 178.6 | -72 | -22.6 | 0 | 0 | 0 | 110.4 | F179 P180 D181 F185 S190 L191 L297 | F179-N187 HydrophobicContact CD2-CB 3.66Å; F179-N187 HydrophobicContact CE2-CB 3.58Å; P180-N187 PolarHBondContact O-ND2 3.35Å; D181-N187 PolarHBondContact OD1-N 2.74Å; D181-N187 PolarHBondContact OD2-N 2.8Å; F185-N187 PolarHBondContact O-N 3.1Å; N187-S190 PolarHBondContact O-N 3.5Å; N187-L191 WeakPolarHBondContact O-CB 3.47Å; N187-L191 PolarHBondContact O-N 2.7Å; N187-L297 HydrophobicContact CB-CD1 4Å |
| 188 | L | 90.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 172 | 178 | 66.9 | 0 | 0 | 0 | 112 | V150 V162 V164 F179 D181 F185 S190 L191 L192 L214 | V150-L188 HydrophobicContact CG1-CD1 3.87Å; V150-L188 HydrophobicContact CG1-CD2 3.9Å; V150-L188 HydrophobicContact CG2-CD1 4.04Å; V162-L188 HydrophobicContact CG1-CD1 4.24Å; V164-L188 HydrophobicContact CG2-CD1 3.71Å; F179-L188 HydrophobicContact CE2-CB 4.31Å; F179-L188 HydrophobicContact CZ-CB 4.25Å; F179-L188 HydrophobicContact CZ-CD1 4.37Å; D181-L188 WeakPolarHBondContact OD2-CB 3.18Å; D181-L188 PolarHBondContact OD2-N 2.98Å; F185-L188 HydrophobicContact CB-CB 4.07Å; F185-L188 HydrophobicContact CB-CD2 4.2Å; F185-L188 HydrophobicContact CD1-CD2 4.39Å; F185-L188 HydrophobicContact CG-CD2 4.47Å; F185-L188 PolarHBondContact O-N 2.89Å; L188-S190 VanDerWaalsContact C-N 3.28Å; L188-S190 PolarHBondContact O-N 3.13Å; L188-L191 PolarHBondContact O-N 2.68Å; L188-L192 HydrophobicContact CD1-CD1 4.2Å; L188-L192 HydrophobicContact CD1-CD2 4.44Å; L188-L192 HydrophobicContact CD1-CG 4.04Å; L188-L192 HydrophobicContact CD2-CD1 4.47Å; L188-L192 HydrophobicContact CG-CD1 3.95Å; L188-L192 HydrophobicContact CG-CG 4.21Å; L188-L192 WeakPolarHBondContact O-CB 3.26Å; L188-L192 VanDerWaalsContact O-CG 3.29Å; L188-L192 WeakPolarHBondContact O-CG 3.4Å; L188-L192 PolarHBondContact O-N 3.29Å; L188-L214 HydrophobicContact CD2-CD1 3.18Å |
| 189 | E | 88.1 | Confident | 86.9 | Confident | 5 Ų | 5 | 22.9 Ų | 22.9 | 2% | 0.023 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.3 | -45.8 | 177.1 | -175.3 | 167.9 | -153.5 | 0 | 0 | 110.9 | F185 S186 L191 L192 V193 V217 R220 N305 | F185-E189 PolarHBondContact O-N 3.43Å; S186-E189 PolarHBondContact O-N 3.31Å; E189-L191 PolarHBondContact O-N 3.27Å; E189-L192 PolarHBondContact O-N 3.05Å; E189-V193 WeakPolarHBondContact O-CG2 3.43Å; E189-V193 PolarHBondContact O-N 2.81Å; E189-V217 HydrophobicContact CB-CG1 3.93Å; E189-V217 HydrophobicContact CG-CG1 4.45Å; E189-R220 IonicContact OE1-CZ 2.92Å; E189-R220 IonicContact OE1-NE 3.13Å; E189-R220 IonicContact OE1-NH2 2.68Å; E189-R220 PolarHBondContact OE1-NH2 3.5Å; E189-R220 IonicContact OE2-NH2 3.85Å; E189-R220 PolarHBondContact OE2-NH2 3.29Å; E189-N305 WeakPolarHBondContact CG-ND2 3.29Å; E189-N305 WeakPolarHBondContact OE1-CB 3.32Å; E189-N305 PolarHBondContact OE1-ND2 2.87Å |
| 190 | S | 88.4 | Confident | 87 | Confident | 8 Ų | 8 | 22.3 Ų | 22.3 | 6% | 0.056 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.7 | -43.1 | 176.8 | -58.4 | 0 | 0 | 0 | 0 | 112.4 | S186 N187 L188 V193 Q194 L303 | S186-S190 PolarHBondContact O-N 2.89Å; S186-S190 VanDerWaalsContact O-N 3.07Å; S186-S190 PolarHBondContact O-OG 3.26Å; N187-S190 PolarHBondContact O-N 3.5Å; L188-S190 VanDerWaalsContact C-N 3.28Å; L188-S190 PolarHBondContact O-N 3.13Å; S190-V193 PolarHBondContact O-N 2.63Å; S190-Q194 WeakPolarHBondContact O-CG 3.32Å; S190-Q194 PolarHBondContact O-N 3Å; S190-Q194 VanDerWaalsContact O-N 3.08Å; S190-L303 WeakPolarHBondContact CA-O 3.26Å |
| 191 | L | 90.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.8 | -40.5 | 178.2 | -176.6 | 61.7 | 0 | 0 | 0 | 112.2 | V164 C177 F179 N187 L188 E189 V193 Q194 I195 L295 L297 | V164-L191 HydrophobicContact CB-CD2 3.92Å; V164-L191 HydrophobicContact CG1-CD2 3.87Å; V164-L191 HydrophobicContact CG2-CD2 3.82Å; C177-L191 HydrophobicContact CB-CD2 4.1Å; F179-L191 HydrophobicContact CE1-CD2 3.5Å; F179-L191 HydrophobicContact CZ-CD2 3.91Å; N187-L191 WeakPolarHBondContact O-CB 3.47Å; N187-L191 PolarHBondContact O-N 2.7Å; L188-L191 PolarHBondContact O-N 2.68Å; E189-L191 PolarHBondContact O-N 3.27Å; L191-V193 VanDerWaalsContact C-N 3.28Å; L191-V193 PolarHBondContact O-N 3Å; L191-Q194 PolarHBondContact O-N 3.25Å; L191-I195 HydrophobicContact CD1-CD1 3.79Å; L191-I195 HydrophobicContact CD1-CG1 4.09Å; L191-I195 HydrophobicContact CD2-CD1 4.35Å; L191-I195 HydrophobicContact CG-CD1 3.79Å; L191-I195 HydrophobicContact CG-CG1 4.37Å; L191-I195 WeakPolarHBondContact O-CG1 3.45Å; L191-I195 PolarHBondContact O-N 2.92Å; L191-L295 HydrophobicContact CD1-CD2 3.88Å; L191-L297 HydrophobicContact CB-CD2 3.81Å; L191-L297 HydrophobicContact CD1-CD2 3.94Å; L191-L297 HydrophobicContact CD2-CD2 4.35Å; L191-L297 HydrophobicContact CG-CD2 4.24Å |
| 192 | L | 89.8 | Confident | 87.4 | Confident | 11 Ų | 11 | 19 Ų | 19 | 6% | 0.058 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.3 | -33.4 | 177.2 | -69.6 | 175.5 | 0 | 0 | 0 | 111.5 | V148 L188 E189 S196 P197 V218 | V148-L192 HydrophobicContact CG1-CD2 4.02Å; L188-L192 HydrophobicContact CD1-CD1 4.2Å; L188-L192 HydrophobicContact CD1-CD2 4.44Å; L188-L192 HydrophobicContact CD1-CG 4.04Å; L188-L192 HydrophobicContact CD2-CD1 4.47Å; L188-L192 HydrophobicContact CG-CD1 3.95Å; L188-L192 HydrophobicContact CG-CG 4.21Å; L188-L192 WeakPolarHBondContact O-CB 3.26Å; L188-L192 VanDerWaalsContact O-CG 3.29Å; L188-L192 WeakPolarHBondContact O-CG 3.4Å; L188-L192 PolarHBondContact O-N 3.29Å; E189-L192 PolarHBondContact O-N 3.05Å; L192-S196 WeakPolarHBondContact O-CA 3.47Å; L192-S196 PolarHBondContact O-N 3.47Å; L192-P197 HydrophobicContact CD2-CG 3.86Å; L192-P197 WeakPolarHBondContact O-CD 3.41Å; L192-V218 HydrophobicContact CD1-CG2 3.91Å |
| 193 | V | 87.6 | Confident | 87.5 | Confident | 14 Ų | 14 | 17.4 Ų | 17.4 | 9% | 0.085 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.2 | -45.3 | 171.3 | 167.9 | 0 | 0 | 0 | 0 | 111.1 | E189 S190 L191 S196 L303 N305 V308 | E189-V193 WeakPolarHBondContact O-CG2 3.43Å; E189-V193 PolarHBondContact O-N 2.81Å; S190-V193 PolarHBondContact O-N 2.63Å; L191-V193 VanDerWaalsContact C-N 3.28Å; L191-V193 PolarHBondContact O-N 3Å; V193-S196 PolarHBondContact O-N 3.06Å; V193-L303 HydrophobicContact CG1-CB 4.11Å; V193-N305 WeakPolarHBondContact CG2-OD1 3.47Å; V193-V308 HydrophobicContact CB-CG2 4.44Å; V193-V308 HydrophobicContact CG1-CG2 3.42Å; V193-V308 VanDerWaalsContact CG1-CG2 3.42Å; V193-V308 HydrophobicContact CG2-CG2 4.12Å |
| 194 | Q | 87.8 | Confident | 87.5 | Confident | 4 Ų | 4 | 17.3 Ų | 17.3 | 2% | 0.019 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.7 | -40.4 | -178.7 | -70.8 | 171.6 | -0.1 | 0 | 0 | 113 | S190 L191 M301 Q349 | S190-Q194 WeakPolarHBondContact O-CG 3.32Å; S190-Q194 PolarHBondContact O-N 3Å; S190-Q194 VanDerWaalsContact O-N 3.08Å; L191-Q194 PolarHBondContact O-N 3.25Å; Q194-M301 PolarHBondContact NE2-O 2.95Å; Q194-Q349 HydrophobicContact CB-CG 4.35Å; Q194-Q349 PolarHBondContact O-NE2 3.26Å |
| 195 | I | 87.3 | Confident | 86.7 | Confident | 22 Ų | 22 | 19.2 Ų | 19.2 | 11% | 0.113 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -79.7 | -35.1 | 176.4 | -62.2 | 174.7 | 0 | 0 | 0 | 110.5 | V164 Y166 L191 P197 L295 | V164-I195 HydrophobicContact CG1-CD1 4.48Å; Y166-I195 HydrophobicContact CD1-CD1 3.9Å; Y166-I195 HydrophobicContact CE1-CD1 4.31Å; Y166-I195 HydrophobicContact CG-CD1 4.32Å; Y166-I195 HydrophobicContact CG-CG2 4.48Å; L191-I195 HydrophobicContact CD1-CD1 3.79Å; L191-I195 HydrophobicContact CD1-CG1 4.09Å; L191-I195 HydrophobicContact CD2-CD1 4.35Å; L191-I195 HydrophobicContact CG-CD1 3.79Å; L191-I195 HydrophobicContact CG-CG1 4.37Å; L191-I195 WeakPolarHBondContact O-CG1 3.45Å; L191-I195 PolarHBondContact O-N 2.92Å; I195-P197 HydrophobicContact CG2-CB 4.27Å; I195-P197 HydrophobicContact CG2-CG 4.39Å; I195-L295 HydrophobicContact CD1-CD1 4.26Å; I195-L295 HydrophobicContact CG1-CD1 4.2Å |
| 196 | S | 84.8 | Confident | 85.4 | Confident | 33 Ų | 33 | 22.3 Ų | 22.3 | 23% | 0.231 | 13% | 0.131 | C | C | . | . | trans | 54.9 | 41.4 | -177.2 | 171.3 | 0 | 0 | 0 | 0 | 114.5 | A145 L192 V193 K348 | A145-S196 WeakPolarHBondContact CB-O 3.49Å; L192-S196 WeakPolarHBondContact O-CA 3.47Å; L192-S196 PolarHBondContact O-N 3.47Å; V193-S196 PolarHBondContact O-N 3.06Å; S196-K348 VanDerWaalsContact CB-NZ 3.26Å; S196-K348 PolarHBondContact OG-NZ 2.83Å | ||
| 197 | P | 87.8 | Confident | 84 | Confident | 4 Ų | 4 | 27.6 Ų | 27.6 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | trans | -62.2 | 145.6 | -171.9 | 30 | -34 | 0 | 0 | 0 | 111.4 | G146 V148 L192 I195 V223 | G146-P197 WeakPolarHBondContact O-CA 3.35Å; G146-P197 WeakPolarHBondContact O-CB 3.44Å; V148-P197 HydrophobicContact CB-CB 4Å; V148-P197 HydrophobicContact CB-CG 4.11Å; V148-P197 HydrophobicContact CG1-CB 3.77Å; V148-P197 HydrophobicContact CG1-CG 3.56Å; L192-P197 HydrophobicContact CD2-CG 3.86Å; L192-P197 WeakPolarHBondContact O-CD 3.41Å; I195-P197 HydrophobicContact CG2-CB 4.27Å; I195-P197 HydrophobicContact CG2-CG 4.39Å; P197-V223 HydrophobicContact CG-CG1 4.25Å; P197-V223 HydrophobicContact CG-CG2 4.29Å; P197-V223 WeakPolarHBondContact O-CG1 3.1Å; P197-V223 WeakPolarHBondContact O-CG2 3.47Å | ||
| 198 | K | 84.4 | Confident | 83.3 | Confident | 75 Ų | 75 | 28.4 Ų | 28.4 | 33% | 0.326 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -84.5 | -19.5 | 175.7 | -63 | -63.6 | -173.8 | 176.7 | 0 | 112.8 | P124 E142 A145 L224 | P124-K198 HydrophobicContact CB-CB 4.41Å; P124-K198 WeakPolarHBondContact O-CB 3.08Å; E142-K198 IonicContact OE2-NZ 2.88Å; E142-K198 PolarHBondContact OE2-NZ 3.47Å; A145-K198 HydrophobicContact CB-CG 4.46Å; A145-K198 PolarHBondContact O-N 2.93Å; K198-L224 PolarHBondContact O-N 3.14Å |
| 199 | E | 89.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 137.2 | 179.7 | -166.9 | 170.1 | -172.1 | 0 | 0 | 111.5 | R100 S123 G125 V148 L224 S226 F277 | R100-E199 IonicContact NE-OE1 2.84Å; R100-E199 IonicContact NH2-OE1 2.66Å; S123-E199 WeakPolarHBondContact CB-OE2 3.38Å; S123-E199 PolarHBondContact OG-OE2 2.96Å; G125-E199 PolarHBondContact N-OE2 2.91Å; V148-E199 PolarHBondContact N-O 3.25Å; E199-L224 CarbonylContact C-O 3.58Å; E199-L224 WeakPolarHBondContact CA-O 3.41Å; E199-L224 HydrophobicContact CG-CB 4.4Å; E199-L224 HydrophobicContact CG-CD2 4.3Å; E199-L224 HydrophobicContact CG-CG 4.44Å; E199-S226 WeakPolarHBondContact CG-OG 3.36Å; E199-S226 PolarHBondContact OE1-OG 3.4Å; E199-F277 WeakPolarHBondContact OE1-CZ 3.47Å |
| 200 | C | 92.7 | Very high | 81.9 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 123.7 | -178.7 | 178.9 | 0 | 0 | 0 | 0 | 111 | V148 V218 V223 L224 V225 S226 | V148-C200 HydrophobicContact CG1-CB 3.66Å; V148-C200 CarbonylContact O-C 3.57Å; V148-C200 VanDerWaalsContact O-CA 3.27Å; V148-C200 WeakPolarHBondContact O-CA 3.26Å; C200-V218 HydrophobicContact CB-CG1 3.55Å; C200-V223 HydrophobicContact CB-CG1 3.65Å; C200-L224 PolarHBondContact N-O 3.33Å; C200-V225 WeakPolarHBondContact O-CA 3.48Å; C200-S226 PolarHBondContact O-N 3.06Å |
| 201 | L | 92.8 | Very high | 81.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 127.3 | 177.1 | -47.8 | -177.3 | 0 | 0 | 0 | 110.4 | V147 V148 A149 V150 S226 R228 V274 F277 | V147-L201 HydrophobicContact CG1-CD1 3.89Å; V147-L201 HydrophobicContact CG1-CD2 3.91Å; V147-L201 HydrophobicContact CG1-CG 3.66Å; V148-L201 PolarHBondContact O-N 3.07Å; A149-L201 WeakPolarHBondContact CA-O 3.33Å; A149-L201 HydrophobicContact CB-CB 3.9Å; A149-L201 HydrophobicContact CB-CD1 4.38Å; A149-L201 HydrophobicContact CB-CG 4.45Å; V150-L201 PolarHBondContact N-O 3.36Å; V150-L201 VanDerWaalsContact N-O 3.16Å; L201-S226 WeakPolarHBondContact CA-O 3.09Å; L201-R228 HydrophobicContact CB-CG 4.18Å; L201-R228 HydrophobicContact CD1-CG 4.46Å; L201-R228 HydrophobicContact CD2-CG 4.28Å; L201-V274 HydrophobicContact CD1-CG2 4.17Å; L201-F277 HydrophobicContact CD1-CB 3.46Å; L201-F277 VanDerWaalsContact CD1-CB 3.46Å; L201-F277 HydrophobicContact CD1-CD1 4.08Å; L201-F277 HydrophobicContact CD1-CD2 4.29Å; L201-F277 HydrophobicContact CD1-CG 3.68Å; L201-F277 HydrophobicContact CD2-CB 4.48Å; L201-F277 HydrophobicContact CD2-CD1 3.95Å; L201-F277 HydrophobicContact CD2-CD2 3.79Å; L201-F277 HydrophobicContact CD2-CE1 4.08Å; L201-F277 HydrophobicContact CD2-CE2 3.91Å; L201-F277 HydrophobicContact CD2-CG 3.8Å; L201-F277 HydrophobicContact CD2-CZ 4.05Å; L201-F277 HydrophobicContact CG-CG 4.38Å |
| 202 | L | 91.9 | Very high | 81.1 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 157.5 | 175.5 | -61.6 | -177 | 0 | 0 | 0 | 110.8 | V150 L214 R215 V225 S226 R228 | V150-L202 HydrophobicContact CB-CD2 4.02Å; L202-L214 HydrophobicContact CD2-CD2 3.87Å; L202-L214 HydrophobicContact CD2-CG 4.32Å; L202-R215 HydrophobicContact CD1-CB 4.36Å; L202-V225 HydrophobicContact CB-CG1 4.38Å; L202-V225 HydrophobicContact CD1-CG1 3.57Å; L202-V225 HydrophobicContact CG-CG1 4Å; L202-S226 PolarHBondContact N-O 3.15Å; L202-R228 PolarHBondContact O-N 3.45Å |
| 203 | T | 87.3 | Confident | 80.8 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 126.7 | 177.3 | 25.4 | 0 | 0 | 0 | 0 | 112.7 | E206 F233 | T203-E206 PolarHBondContact OG1-OE1 3.33Å; T203-E206 PolarHBondContact OG1-OE2 3.45Å; T203-F233 HydrophobicContact CG2-CD1 4.34Å; T203-F233 HydrophobicContact CG2-CD2 3.37Å; T203-F233 HydrophobicContact CG2-CE1 4.38Å; T203-F233 HydrophobicContact CG2-CE2 3.4Å; T203-F233 VanDerWaalsContact CG2-CE2 3.4Å; T203-F233 HydrophobicContact CG2-CG 3.86Å; T203-F233 HydrophobicContact CG2-CZ 3.94Å |
| 204 | Q | 78.3 | Confident | 80.8 | Confident | 101 Ų | 101 | 41.8 Ų | 41.8 | 47% | 0.472 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 132.8 | 172.7 | -82.6 | 176.5 | 4.2 | 0 | 0 | 111.4 | D227 R228 | Q204-D227 HydrophobicContact CG-CB 3.63Å; Q204-D227 PolarHBondContact NE2-O 2.82Å; Q204-D227 VanDerWaalsContact NE2-O 3.14Å; Q204-R228 WeakPolarHBondContact CB-O 3.48Å; Q204-R228 WeakPolarHBondContact CG-O 3.43Å; Q204-R228 PolarHBondContact N-O 2.91Å |
| 205 | G | 63.4 | Low | 80.8 | Confident | 72 Ų | 72 | 45 Ų | 45 | 74% | 0.742 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.6 | 4.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | C207 | G205-C207 PolarHBondContact O-N 3.36Š|
| 206 | E | 59.5 | Low | 80.7 | Confident | 65 Ų | 65 | 48.8 Ų | 48.8 | 30% | 0.304 | 28% | 0.284 | S | S | . | . | trans | -77.8 | 70 | 167.4 | -72.1 | -176.9 | 167.8 | 0 | 0 | 110.6 | T203 S208 | T203-E206 PolarHBondContact OG1-OE1 3.33Å; T203-E206 PolarHBondContact OG1-OE2 3.45Å; E206-S208 PolarHBondContact O-N 3.44Å | ||
| 207 | C | 54.7 | Low | 80.7 | Confident | 119 Ų | 119 | 47.6 Ų | 47.6 | 80% | 0.804 | 28% | 0.275 | S | S | * | . | trans | -78.7 | 18.9 | 167.8 | -66.6 | 0 | 0 | 0 | 0 | 112.4 | G205 | G205-C207 PolarHBondContact O-N 3.36Š| ||
| 208 | S | 71.8 | Confident | 80.6 | Confident | 52 Ų | 52 | 47.4 Ų | 47.4 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -66.4 | 151.3 | 171.2 | 65.3 | 0 | 0 | 0 | 0 | 109.1 | E206 E210 G211 T212 | E206-S208 PolarHBondContact O-N 3.44Å; S208-E210 PolarHBondContact O-N 2.63Å; S208-G211 PolarHBondContact O-N 3.18Å; S208-G211 PolarHBondContact OG-N 2.89Å; S208-G211 VanDerWaalsContact OG-N 3.12Å; S208-T212 PolarHBondContact O-N 3.01Å; S208-T212 VanDerWaalsContact O-N 3.11Å; S208-T212 PolarHBondContact O-OG1 2.75Å |
| 209 | A | 73.6 | Confident | 80.6 | Confident | 78 Ų | 78 | 49 Ų | 49 | 65% | 0.645 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -54.4 | -28.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K213 | A209-K213 WeakPolarHBondContact O-CG 3.46Å; A209-K213 PolarHBondContact O-N 2.93Å |
| 210 | E | 75.8 | Confident | 80 | Confident | 74 Ų | 74 | 51.7 Ų | 51.7 | 35% | 0.346 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -74.4 | -41.4 | 176.7 | -55.9 | -176.6 | 145.4 | 0 | 0 | 112.7 | F152 R160 S208 T212 K213 L214 | F152-E210 HydrophobicContact CE2-CB 4.09Å; F152-E210 VanDerWaalsContact CE2-OE2 3.31Å; F152-E210 WeakPolarHBondContact CE2-OE2 3.29Å; F152-E210 HydrophobicContact CZ-CB 3.93Å; R160-E210 IonicContact CZ-OE1 3.17Å; R160-E210 IonicContact NE-OE1 2.7Å; R160-E210 IonicContact NH2-OE1 2.7Å; R160-E210 PolarHBondContact NH2-OE1 2.64Å; R160-E210 IonicContact NH2-OE2 2.72Å; S208-E210 PolarHBondContact O-N 2.63Å; E210-T212 VanDerWaalsContact C-N 3.31Å; E210-T212 PolarHBondContact O-N 2.98Å; E210-K213 PolarHBondContact O-N 3.22Å; E210-L214 PolarHBondContact O-N 3.21Å |
| 211 | G | 80.9 | Confident | 79.2 | Confident | 7 Ų | 7 | 53.1 Ų | 53.1 | 7% | 0.072 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.3 | -35.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S208 L214 R215 | S208-G211 PolarHBondContact O-N 3.18Å; S208-G211 PolarHBondContact OG-N 2.89Å; S208-G211 VanDerWaalsContact OG-N 3.12Å; G211-L214 PolarHBondContact O-N 3.08Å; G211-R215 PolarHBondContact O-N 3.02Å; G211-R215 VanDerWaalsContact O-N 3.08Å |
| 212 | T | 82.8 | Confident | 78.4 | Confident | 66 Ų | 66 | 55.5 Ų | 55.5 | 41% | 0.405 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.8 | -47.2 | 173.1 | -51.7 | 0 | 0 | 0 | 0 | 111.5 | S208 E210 L214 R215 E216 | S208-T212 PolarHBondContact O-N 3.01Å; S208-T212 VanDerWaalsContact O-N 3.11Å; S208-T212 PolarHBondContact O-OG1 2.75Å; E210-T212 VanDerWaalsContact C-N 3.31Å; E210-T212 PolarHBondContact O-N 2.98Å; T212-L214 VanDerWaalsContact C-N 3.34Å; T212-L214 PolarHBondContact O-N 2.97Å; T212-R215 WeakPolarHBondContact O-CB 3.37Å; T212-R215 PolarHBondContact O-N 3.12Å; T212-R215 VanDerWaalsContact O-N 3.16Å; T212-E216 WeakPolarHBondContact O-CG 3.45Å; T212-E216 PolarHBondContact O-N 2.8Å |
| 213 | K | 83.3 | Confident | 78.1 | Confident | 90 Ų | 90 | 55.7 Ų | 55.7 | 39% | 0.391 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 176 | -73.1 | 177.9 | 179.6 | -174.6 | 0 | 112.4 | F185 A209 E210 R215 E216 V217 | F185-K213 HydrophobicContact CD2-CB 4.48Å; F185-K213 HydrophobicContact CE2-CB 4.17Å; A209-K213 WeakPolarHBondContact O-CG 3.46Å; A209-K213 PolarHBondContact O-N 2.93Å; E210-K213 PolarHBondContact O-N 3.22Å; K213-R215 VanDerWaalsContact C-N 3.31Å; K213-R215 PolarHBondContact O-N 3.01Å; K213-E216 PolarHBondContact O-N 3.44Å; K213-V217 WeakPolarHBondContact O-CG2 3.34Å; K213-V217 PolarHBondContact O-N 3.46Å |
| 214 | L | 87.3 | Confident | 78 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.8 | -46 | 175.3 | 178 | 66.2 | 0 | 0 | 0 | 111.2 | V150 F152 F185 L188 L202 E210 G211 T212 E216 V217 V218 | V150-L214 HydrophobicContact CG1-CD1 3.98Å; V150-L214 HydrophobicContact CG1-CD2 4.43Å; F152-L214 HydrophobicContact CD1-CD2 3.92Å; F152-L214 HydrophobicContact CE1-CD2 4.07Å; F185-L214 HydrophobicContact CD1-CD1 4.36Å; F185-L214 HydrophobicContact CD2-CB 4.46Å; F185-L214 HydrophobicContact CE1-CD1 4.29Å; F185-L214 HydrophobicContact CE2-CB 3.91Å; F185-L214 HydrophobicContact CE2-CD1 4.46Å; F185-L214 HydrophobicContact CG-CD1 4.46Å; F185-L214 HydrophobicContact CZ-CB 4.13Å; F185-L214 HydrophobicContact CZ-CD1 4.33Å; L188-L214 HydrophobicContact CD2-CD1 3.18Å; L202-L214 HydrophobicContact CD2-CD2 3.87Å; L202-L214 HydrophobicContact CD2-CG 4.32Å; E210-L214 PolarHBondContact O-N 3.21Å; G211-L214 PolarHBondContact O-N 3.08Å; T212-L214 VanDerWaalsContact C-N 3.34Å; T212-L214 PolarHBondContact O-N 2.97Å; L214-E216 PolarHBondContact O-N 3.47Å; L214-V217 PolarHBondContact O-N 2.97Å; L214-V218 WeakPolarHBondContact O-CG2 3.38Å; L214-V218 PolarHBondContact O-N 2.71Å; L214-V218 VanDerWaalsContact O-N 3.15Å |
| 215 | R | 88.1 | Confident | 78.5 | Confident | 73 Ų | 73 | 53.6 Ų | 53.6 | 28% | 0.275 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 177.3 | -175.5 | 178 | -60.3 | -99.7 | -6.9 | 111.9 | L202 G211 T212 K213 V217 V218 Q219 V225 D227 | L202-R215 HydrophobicContact CD1-CB 4.36Å; G211-R215 PolarHBondContact O-N 3.02Å; G211-R215 VanDerWaalsContact O-N 3.08Å; T212-R215 WeakPolarHBondContact O-CB 3.37Å; T212-R215 PolarHBondContact O-N 3.12Å; T212-R215 VanDerWaalsContact O-N 3.16Å; K213-R215 VanDerWaalsContact C-N 3.31Å; K213-R215 PolarHBondContact O-N 3.01Å; R215-V217 VanDerWaalsContact C-N 3.33Å; R215-V217 PolarHBondContact O-N 3.26Å; R215-V218 PolarHBondContact O-N 3.44Å; R215-Q219 HydrophobicContact CG-CG 4.31Å; R215-Q219 WeakPolarHBondContact O-CB 3.3Å; R215-Q219 VanDerWaalsContact O-CG 3.28Å; R215-Q219 WeakPolarHBondContact O-CG 3.48Å; R215-Q219 PolarHBondContact O-N 3.11Å; R215-V225 HydrophobicContact CG-CG2 4.36Å; R215-V225 VanDerWaalsContact NH1-CG1 3.33Å; R215-D227 IonicContact CZ-OD1 3.1Å; R215-D227 IonicContact CZ-OD2 3.85Å; R215-D227 IonicContact NH1-OD1 3.51Å; R215-D227 IonicContact NH1-OD2 3.21Å; R215-D227 PolarHBondContact NH1-OD2 2.97Å; R215-D227 IonicContact NH2-OD1 2.68Å; R215-D227 PolarHBondContact NH2-OD1 2.86Å; R215-D227 IonicContact NH2-OD2 3.9Å; R215-D227 PolarHBondContact NH2-OD2 2.96Å |
| 216 | E | 84 | Confident | 79.7 | Confident | 100 Ų | 100 | 50.2 Ų | 50.2 | 47% | 0.467 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 177.2 | -72.6 | 171.6 | -173.3 | 0 | 0 | 111.9 | T212 K213 L214 Q219 R220 | T212-E216 WeakPolarHBondContact O-CG 3.45Å; T212-E216 PolarHBondContact O-N 2.8Å; K213-E216 PolarHBondContact O-N 3.44Å; L214-E216 PolarHBondContact O-N 3.47Å; E216-Q219 PolarHBondContact O-N 3.39Å; E216-R220 WeakPolarHBondContact O-CB 3.5Å; E216-R220 VanDerWaalsContact O-CG 3.25Å; E216-R220 WeakPolarHBondContact O-CG 3.4Å; E216-R220 PolarHBondContact O-N 3.48Å |
| 217 | V | 84.9 | Confident | 81.1 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 178 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | I184 F185 E189 K213 L214 R215 R220 G221 | I184-V217 WeakPolarHBondContact O-CG2 3.3Å; F185-V217 HydrophobicContact CB-CG1 4.44Å; F185-V217 HydrophobicContact CB-CG2 4.25Å; E189-V217 HydrophobicContact CB-CG1 3.93Å; E189-V217 HydrophobicContact CG-CG1 4.45Å; K213-V217 WeakPolarHBondContact O-CG2 3.34Å; K213-V217 PolarHBondContact O-N 3.46Å; L214-V217 PolarHBondContact O-N 2.97Å; R215-V217 VanDerWaalsContact C-N 3.33Å; R215-V217 PolarHBondContact O-N 3.26Å; V217-R220 PolarHBondContact O-N 3.34Å; V217-G221 PolarHBondContact O-N 3.44Å |
| 218 | V | 86.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 176.8 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | L192 C200 L214 R215 R220 G221 V223 V225 | L192-V218 HydrophobicContact CD1-CG2 3.91Å; C200-V218 HydrophobicContact CB-CG1 3.55Å; L214-V218 WeakPolarHBondContact O-CG2 3.38Å; L214-V218 PolarHBondContact O-N 2.71Å; L214-V218 VanDerWaalsContact O-N 3.15Å; R215-V218 PolarHBondContact O-N 3.44Å; V218-R220 PolarHBondContact O-N 3.1Å; V218-G221 PolarHBondContact O-N 2.86Å; V218-V223 HydrophobicContact CG1-CB 3.82Å; V218-V223 HydrophobicContact CG1-CG1 4.1Å; V218-V223 PolarHBondContact O-N 2.95Å; V218-V225 HydrophobicContact CB-CG2 4.22Å; V218-V225 HydrophobicContact CG1-CG2 3.68Å |
| 219 | Q | 83.5 | Confident | 83.6 | Confident | 107 Ų | 107 | 50.5 Ų | 50.5 | 50% | 0.5 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.5 | -35.9 | 178.6 | -74.1 | 176.9 | -13.7 | 0 | 0 | 112.6 | R215 E216 G221 G222 V225 | R215-Q219 HydrophobicContact CG-CG 4.31Å; R215-Q219 WeakPolarHBondContact O-CB 3.3Å; R215-Q219 VanDerWaalsContact O-CG 3.28Å; R215-Q219 WeakPolarHBondContact O-CG 3.48Å; R215-Q219 PolarHBondContact O-N 3.11Å; E216-Q219 PolarHBondContact O-N 3.39Å; Q219-G221 PolarHBondContact O-N 3.36Å; Q219-G222 PolarHBondContact O-N 2.63Å; Q219-V225 HydrophobicContact CG-CG2 3.9Å |
| 220 | R | 77.3 | Confident | 84.2 | Confident | 58 Ų | 58 | 55.5 Ų | 55.5 | 22% | 0.219 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.6 | -30.3 | 173.5 | -83.8 | 173.3 | 47.2 | 165.5 | -5.5 | 113.1 | E189 E216 V217 V218 G222 R309 | E189-R220 IonicContact OE1-CZ 2.92Å; E189-R220 IonicContact OE1-NE 3.13Å; E189-R220 IonicContact OE1-NH2 2.68Å; E189-R220 PolarHBondContact OE1-NH2 3.5Å; E189-R220 IonicContact OE2-NH2 3.85Å; E189-R220 PolarHBondContact OE2-NH2 3.29Å; E216-R220 WeakPolarHBondContact O-CB 3.5Å; E216-R220 VanDerWaalsContact O-CG 3.25Å; E216-R220 WeakPolarHBondContact O-CG 3.4Å; E216-R220 PolarHBondContact O-N 3.48Å; V217-R220 PolarHBondContact O-N 3.34Å; V218-R220 PolarHBondContact O-N 3.1Å; R220-G222 PolarHBondContact O-N 3.14Å; R220-R309 PolarHBondContact O-NH2 3.47Å |
| 221 | G | 74.8 | Confident | 84.9 | Confident | 30 Ų | 30 | 55.7 Ų | 55.7 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -1.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | V217 V218 Q219 V223 | V217-G221 PolarHBondContact O-N 3.44Å; V218-G221 PolarHBondContact O-N 2.86Å; Q219-G221 PolarHBondContact O-N 3.36Å; G221-V223 VanDerWaalsContact C-N 3.27Å; G221-V223 PolarHBondContact O-N 3.33Å |
| 222 | G | 77.2 | Confident | 85.2 | Confident | 49 Ų | 49 | 57.5 Ų | 57.5 | 51% | 0.505 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 20 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q219 R220 | Q219-G222 PolarHBondContact O-N 2.63Å; R220-G222 PolarHBondContact O-N 3.14Å |
| 223 | V | 84.3 | Confident | 85.5 | Confident | 11 Ų | 11 | 54.5 Ų | 54.5 | 7% | 0.067 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -91.8 | 131.9 | -178.9 | -174.1 | 0 | 0 | 0 | 0 | 110 | P197 C200 V218 G221 V225 | P197-V223 HydrophobicContact CG-CG1 4.25Å; P197-V223 HydrophobicContact CG-CG2 4.29Å; P197-V223 WeakPolarHBondContact O-CG1 3.1Å; P197-V223 WeakPolarHBondContact O-CG2 3.47Å; C200-V223 HydrophobicContact CB-CG1 3.65Å; V218-V223 HydrophobicContact CG1-CB 3.82Å; V218-V223 HydrophobicContact CG1-CG1 4.1Å; V218-V223 PolarHBondContact O-N 2.95Å; G221-V223 VanDerWaalsContact C-N 3.27Å; G221-V223 PolarHBondContact O-N 3.33Å; V223-V225 PolarHBondContact O-N 3.28Å |
| 224 | L | 85.3 | Confident | 85.8 | Confident | 43 Ų | 43 | 52 Ų | 52 | 23% | 0.225 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 128.1 | 176.4 | 178.1 | 66.3 | 0 | 0 | 0 | 110.3 | P124 K198 E199 C200 | P124-L224 HydrophobicContact CG-CD2 3.99Å; K198-L224 PolarHBondContact O-N 3.14Å; E199-L224 CarbonylContact C-O 3.58Å; E199-L224 WeakPolarHBondContact CA-O 3.41Å; E199-L224 HydrophobicContact CG-CB 4.4Å; E199-L224 HydrophobicContact CG-CD2 4.3Å; E199-L224 HydrophobicContact CG-CG 4.44Å; C200-L224 PolarHBondContact N-O 3.33Å |
| 225 | V | 88.6 | Confident | 85.7 | Confident | 20 Ų | 20 | 54.6 Ų | 54.6 | 12% | 0.121 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 130.3 | 178 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | C200 L202 R215 V218 Q219 V223 | C200-V225 WeakPolarHBondContact O-CA 3.48Å; L202-V225 HydrophobicContact CB-CG1 4.38Å; L202-V225 HydrophobicContact CD1-CG1 3.57Å; L202-V225 HydrophobicContact CG-CG1 4Å; R215-V225 HydrophobicContact CG-CG2 4.36Å; R215-V225 VanDerWaalsContact NH1-CG1 3.33Å; V218-V225 HydrophobicContact CB-CG2 4.22Å; V218-V225 HydrophobicContact CG1-CG2 3.68Å; Q219-V225 HydrophobicContact CG-CG2 3.9Å; V223-V225 PolarHBondContact O-N 3.28Å |
| 226 | S | 88.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 102.7 | -175.9 | -71.7 | 0 | 0 | 0 | 0 | 111.3 | R100 E199 C200 L201 L202 R228 | R100-S226 PolarHBondContact NH2-OG 3.44Å; E199-S226 WeakPolarHBondContact CG-OG 3.36Å; E199-S226 PolarHBondContact OE1-OG 3.4Å; C200-S226 PolarHBondContact O-N 3.06Å; L201-S226 WeakPolarHBondContact CA-O 3.09Å; L202-S226 PolarHBondContact N-O 3.15Å; S226-R228 PolarHBondContact O-N 3.44Å |
| 227 | D | 88.6 | Confident | 85.7 | Confident | 49 Ų | 49 | 58.3 Ų | 58.3 | 26% | 0.262 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 122.5 | -179.4 | -75.6 | -58.7 | 0 | 0 | 0 | 111.8 | Q204 R215 | Q204-D227 HydrophobicContact CG-CB 3.63Å; Q204-D227 PolarHBondContact NE2-O 2.82Å; Q204-D227 VanDerWaalsContact NE2-O 3.14Å; R215-D227 IonicContact CZ-OD1 3.1Å; R215-D227 IonicContact CZ-OD2 3.85Å; R215-D227 IonicContact NH1-OD1 3.51Å; R215-D227 IonicContact NH1-OD2 3.21Å; R215-D227 PolarHBondContact NH1-OD2 2.97Å; R215-D227 IonicContact NH2-OD1 2.68Å; R215-D227 PolarHBondContact NH2-OD1 2.86Å; R215-D227 IonicContact NH2-OD2 3.9Å; R215-D227 PolarHBondContact NH2-OD2 2.96Å |
| 228 | R | 90.1 | Very high | 85.9 | Confident | 59 Ų | 59 | 58 Ų | 58 | 22% | 0.223 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 154.1 | -178.7 | -65.8 | -58.4 | 92.8 | 170 | 4.2 | 112.3 | L201 L202 Q204 S226 E232 F233 | L201-R228 HydrophobicContact CB-CG 4.18Å; L201-R228 HydrophobicContact CD1-CG 4.46Å; L201-R228 HydrophobicContact CD2-CG 4.28Å; L202-R228 PolarHBondContact O-N 3.45Å; Q204-R228 WeakPolarHBondContact CB-O 3.48Å; Q204-R228 WeakPolarHBondContact CG-O 3.43Å; Q204-R228 PolarHBondContact N-O 2.91Å; S226-R228 PolarHBondContact O-N 3.44Å; R228-E232 VanDerWaalsContact CD-OE2 3.23Å; R228-E232 WeakPolarHBondContact CD-OE2 3.46Å; R228-F233 HydrophobicContact CB-CE2 3.95Å |
| 229 | K | 89.6 | Confident | 85.9 | Confident | 134 Ų | 134 | 60.5 Ų | 60.5 | 58% | 0.583 | 32% | 0.32 | S | S | * | . | trans | -68 | 144.3 | -180 | -64.6 | 176.8 | -178 | 175.5 | 0 | 110.5 | A231 E232 | K229-A231 PolarHBondContact O-N 2.7Å; K229-A231 VanDerWaalsContact O-N 3.08Å; K229-E232 HydrophobicContact CB-CG 4.36Å; K229-E232 PolarHBondContact N-OE1 3.35Å; K229-E232 WeakPolarHBondContact O-CB 3.42Å; K229-E232 PolarHBondContact O-N 3.2Å | ||
| 230 | R | 86.9 | Confident | 86.1 | Confident | 183 Ų | 183 | 60.5 Ų | 60.5 | 69% | 0.691 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -55.4 | -30.6 | 177.5 | -171 | 175 | 179.9 | 175.3 | 1 | 113.6 | E232 F233 | R230-E232 PolarHBondContact O-N 3.39Å; R230-F233 PolarHBondContact O-N 3.3Å |
| 231 | A | 88.9 | Confident | 86.8 | Confident | 78 Ų | 78 | 58.4 Ų | 58.4 | 65% | 0.645 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -62.8 | -29.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K229 F233 S234 | K229-A231 PolarHBondContact O-N 2.7Å; K229-A231 VanDerWaalsContact O-N 3.08Å; A231-F233 PolarHBondContact O-N 3.08Å; A231-S234 WeakPolarHBondContact O-CB 3.32Å; A231-S234 PolarHBondContact O-N 3.02Å; A231-S234 VanDerWaalsContact O-N 3.14Å |
| 232 | E | 87.7 | Confident | 87.4 | Confident | 46 Ų | 46 | 57 Ų | 57 | 22% | 0.215 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -71.7 | -19.1 | -179.8 | -65.2 | 172.6 | -135.4 | 0 | 0 | 112.7 | R228 K229 R230 S234 A273 R276 | R228-E232 VanDerWaalsContact CD-OE2 3.23Å; R228-E232 WeakPolarHBondContact CD-OE2 3.46Å; K229-E232 HydrophobicContact CB-CG 4.36Å; K229-E232 PolarHBondContact N-OE1 3.35Å; K229-E232 WeakPolarHBondContact O-CB 3.42Å; K229-E232 PolarHBondContact O-N 3.2Å; R230-E232 PolarHBondContact O-N 3.39Å; E232-S234 VanDerWaalsContact C-N 3.27Å; E232-S234 PolarHBondContact O-N 3.43Å; E232-A273 WeakPolarHBondContact O-CA 3.44Å; E232-R276 PolarHBondContact O-NH1 3.36Å |
| 233 | F | 89.8 | Confident | 88 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.009 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -86.2 | 7.8 | 173.2 | -72.9 | -98.1 | 0 | 0 | 0 | 112.7 | A149 T203 R228 R230 A231 S235 S269 A273 | A149-F233 HydrophobicContact CB-CE1 4.11Å; T203-F233 HydrophobicContact CG2-CD1 4.34Å; T203-F233 HydrophobicContact CG2-CD2 3.37Å; T203-F233 HydrophobicContact CG2-CE1 4.38Å; T203-F233 HydrophobicContact CG2-CE2 3.4Å; T203-F233 VanDerWaalsContact CG2-CE2 3.4Å; T203-F233 HydrophobicContact CG2-CG 3.86Å; T203-F233 HydrophobicContact CG2-CZ 3.94Å; R228-F233 HydrophobicContact CB-CE2 3.95Å; R230-F233 PolarHBondContact O-N 3.3Å; A231-F233 PolarHBondContact O-N 3.08Å; F233-S235 PolarHBondContact O-N 3Å; F233-S269 WeakPolarHBondContact O-CB 3.33Å; F233-S269 PolarHBondContact O-OG 2.83Å; F233-A273 HydrophobicContact CD1-CB 3.71Å; F233-A273 HydrophobicContact CD2-CB 4.05Å; F233-A273 HydrophobicContact CE1-CB 3.74Å; F233-A273 HydrophobicContact CE2-CB 4.08Å; F233-A273 HydrophobicContact CG-CB 3.88Å; F233-A273 HydrophobicContact CZ-CB 3.92Å |
| 234 | S | 90 | Very high | 88.2 | Confident | 37 Ų | 37 | 63.1 Ų | 63.1 | 26% | 0.259 | 31% | 0.311 | S | S | . | . | trans | -69.4 | 126.2 | 177 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | A231 E232 K236 R276 | A231-S234 WeakPolarHBondContact O-CB 3.32Å; A231-S234 PolarHBondContact O-N 3.02Å; A231-S234 VanDerWaalsContact O-N 3.14Å; E232-S234 VanDerWaalsContact C-N 3.27Å; E232-S234 PolarHBondContact O-N 3.43Å; S234-K236 VanDerWaalsContact C-N 3.28Å; S234-K236 PolarHBondContact O-N 3.36Å; S234-K236 WeakPolarHBondContact OG-CG 3.46Å; S234-K236 PolarHBondContact OG-N 3.2Å; S234-R276 PolarHBondContact O-NH1 3.26Å; S234-R276 PolarHBondContact O-NH2 3.21Å | ||
| 235 | S | 85.4 | Confident | 88.4 | Confident | 58 Ų | 58 | 61 Ų | 61 | 41% | 0.406 | 30% | 0.3 | S | S | . | . | trans | -83.5 | 7.3 | 176.7 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | F233 D237 I238 | F233-S235 PolarHBondContact O-N 3Å; S235-D237 PolarHBondContact O-N 3.08Å; S235-I238 WeakPolarHBondContact O-CG2 3.34Å; S235-I238 PolarHBondContact O-N 2.88Å | ||
| 236 | K | 84.9 | Confident | 88.3 | Confident | 179 Ų | 179 | 60.4 Ų | 60.4 | 78% | 0.778 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -56.7 | -43.7 | -174.8 | -72.4 | -179.3 | -178.5 | -174.6 | 0 | 114.1 | S234 | S234-K236 VanDerWaalsContact C-N 3.28Å; S234-K236 PolarHBondContact O-N 3.36Å; S234-K236 WeakPolarHBondContact OG-CG 3.46Å; S234-K236 PolarHBondContact OG-N 3.2Å |
| 237 | D | 86.6 | Confident | 87.9 | Confident | 73 Ų | 73 | 65.4 Ų | 65.4 | 39% | 0.39 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -97.7 | -5.7 | -172.8 | -42.3 | -53.9 | 0 | 0 | 0 | 112.8 | S235 V239 Q240 D241 R276 | S235-D237 PolarHBondContact O-N 3.08Å; D237-V239 VanDerWaalsContact C-N 3.27Å; D237-V239 PolarHBondContact O-N 3.32Å; D237-V239 VanDerWaalsContact O-N 3.15Å; D237-Q240 WeakPolarHBondContact O-CA 3.45Å; D237-Q240 WeakPolarHBondContact O-CB 3.39Å; D237-Q240 PolarHBondContact O-N 2.97Å; D237-D241 PolarHBondContact O-N 3.41Å; D237-R276 IonicContact OD2-NH2 2.81Å; D237-R276 PolarHBondContact OD2-NH2 3.29Å |
| 238 | I | 88.1 | Confident | 87 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.015 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.6 | -34.5 | -167.4 | -163.9 | 51.2 | 0 | 0 | 0 | 112.9 | S235 D241 L242 M268 A272 | S235-I238 WeakPolarHBondContact O-CG2 3.34Å; S235-I238 PolarHBondContact O-N 2.88Å; I238-D241 HydrophobicContact CD1-CB 4.49Å; I238-D241 PolarHBondContact O-N 3.1Å; I238-L242 HydrophobicContact CD1-CG 4.28Å; I238-L242 HydrophobicContact CG1-CD1 4.31Å; I238-L242 HydrophobicContact CG1-CG 4.26Å; I238-L242 VanDerWaalsContact O-CB 3.28Å; I238-L242 WeakPolarHBondContact O-CB 3.46Å; I238-L242 WeakPolarHBondContact O-CG 3.47Å; I238-L242 PolarHBondContact O-N 3.48Å; I238-M268 HydrophobicContact CG1-CE 3.52Å; I238-M268 HydrophobicContact CG2-CE 4.19Å; I238-A272 HydrophobicContact CB-CB 4.22Å; I238-A272 HydrophobicContact CD1-CB 3.8Å; I238-A272 HydrophobicContact CG1-CB 4.1Å |
| 239 | V | 88 | Confident | 85.5 | Confident | 51 Ų | 51 | 70.2 Ų | 70.2 | 31% | 0.309 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.3 | -42 | 177.2 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | D237 N243 S256 N257 L262 | D237-V239 VanDerWaalsContact C-N 3.27Å; D237-V239 PolarHBondContact O-N 3.32Å; D237-V239 VanDerWaalsContact O-N 3.15Å; V239-N243 PolarHBondContact O-N 3.07Å; V239-N243 VanDerWaalsContact O-N 3.09Å; V239-N243 PolarHBondContact O-ND2 3.35Å; V239-N243 PolarHBondContact O-OD1 3.31Å; V239-S256 WeakPolarHBondContact CG1-OG 3.24Å; V239-S256 PolarHBondContact O-OG 3.15Å; V239-N257 HydrophobicContact CG1-CB 4.18Å; V239-L262 HydrophobicContact CG2-CD1 4.18Å; V239-L262 HydrophobicContact CG2-CD2 4.2Å |
| 240 | Q | 88.1 | Confident | 83.8 | Confident | 107 Ų | 107 | 75.8 Ų | 75.8 | 50% | 0.5 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 176.6 | -177.8 | 177.7 | -7.1 | 0 | 0 | 111.1 | D237 N243 R244 | D237-Q240 WeakPolarHBondContact O-CA 3.45Å; D237-Q240 WeakPolarHBondContact O-CB 3.39Å; D237-Q240 PolarHBondContact O-N 2.97Å; Q240-N243 PolarHBondContact O-N 3.43Å; Q240-R244 PolarHBondContact O-N 3.39Å |
| 241 | D | 90.4 | Very high | 82.2 | Confident | 14 Ų | 14 | 70.7 Ų | 70.7 | 8% | 0.075 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 178.6 | -61.1 | -17 | 0 | 0 | 0 | 110.8 | D237 I238 N243 R244 L245 L281 | D237-D241 PolarHBondContact O-N 3.41Å; I238-D241 HydrophobicContact CD1-CB 4.49Å; I238-D241 PolarHBondContact O-N 3.1Å; D241-N243 PolarHBondContact O-N 2.92Å; D241-R244 PolarHBondContact O-N 3.37Å; D241-R244 VanDerWaalsContact O-N 3.1Å; D241-L245 VanDerWaalsContact O-CG 3.31Å; D241-L245 WeakPolarHBondContact O-CG 3.48Å; D241-L245 PolarHBondContact O-N 3.44Å; D241-L281 HydrophobicContact CB-CD1 4Å; D241-L281 HydrophobicContact CB-CD2 4.48Å; D241-L281 VanDerWaalsContact CG-CD1 3.49Å; D241-L281 VanDerWaalsContact OD1-CD1 3.23Å; D241-L281 WeakPolarHBondContact OD1-CD1 3.39Å |
| 242 | L | 89 | Confident | 80.9 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 177.1 | -74.9 | 180 | 0 | 0 | 0 | 112.5 | M174 I238 R244 L245 L246 M268 L271 L292 | M174-L242 HydrophobicContact SD-CD2 3.97Å; I238-L242 HydrophobicContact CD1-CG 4.28Å; I238-L242 HydrophobicContact CG1-CD1 4.31Å; I238-L242 HydrophobicContact CG1-CG 4.26Å; I238-L242 VanDerWaalsContact O-CB 3.28Å; I238-L242 WeakPolarHBondContact O-CB 3.46Å; I238-L242 WeakPolarHBondContact O-CG 3.47Å; I238-L242 PolarHBondContact O-N 3.48Å; L242-R244 PolarHBondContact O-N 3.38Å; L242-R244 VanDerWaalsContact O-N 3.17Å; L242-L245 PolarHBondContact O-N 3.47Å; L242-L246 HydrophobicContact CB-CD1 3.91Å; L242-L246 HydrophobicContact CB-CG 4.15Å; L242-L246 HydrophobicContact CD1-CD1 4.48Å; L242-L246 HydrophobicContact CD2-CD1 4.12Å; L242-L246 HydrophobicContact CD2-CD2 4.17Å; L242-L246 HydrophobicContact CD2-CG 4.03Å; L242-L246 HydrophobicContact CG-CD1 4.39Å; L242-L246 VanDerWaalsContact O-CB 3.25Å; L242-L246 WeakPolarHBondContact O-CB 3.32Å; L242-L246 VanDerWaalsContact O-CG 3.26Å; L242-L246 WeakPolarHBondContact O-CG 3.39Å; L242-L246 PolarHBondContact O-N 2.79Å; L242-M268 HydrophobicContact CD1-CE 3.7Å; L242-L271 HydrophobicContact CD2-CD2 4.3Å; L242-L292 HydrophobicContact CD1-CD2 4.44Å |
| 243 | N | 88.2 | Confident | 79.6 | Confident | 66 Ų | 66 | 78.5 Ų | 78.5 | 35% | 0.353 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.8 | -25.3 | 176 | -70 | -13.1 | 0 | 0 | 0 | 112.8 | V239 Q240 D241 V254 S256 | V239-N243 PolarHBondContact O-N 3.07Å; V239-N243 VanDerWaalsContact O-N 3.09Å; V239-N243 PolarHBondContact O-ND2 3.35Å; V239-N243 PolarHBondContact O-OD1 3.31Å; Q240-N243 PolarHBondContact O-N 3.43Å; D241-N243 PolarHBondContact O-N 2.92Å; N243-V254 PolarHBondContact OD1-O 3.15Å; N243-S256 WeakPolarHBondContact OD1-CB 3.41Å; N243-S256 PolarHBondContact OD1-N 3.29Å; N243-S256 PolarHBondContact OD1-OG 2.79Å |
| 244 | R | 88.4 | Confident | 78.3 | Confident | 123 Ų | 123 | 80.1 Ų | 80.1 | 46% | 0.464 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -87.3 | -34.7 | 175.6 | -65.7 | 179.5 | 176.6 | -177.2 | -1.4 | 112.5 | Q240 D241 L242 L281 F287 N288 | Q240-R244 PolarHBondContact O-N 3.39Å; D241-R244 PolarHBondContact O-N 3.37Å; D241-R244 VanDerWaalsContact O-N 3.1Å; L242-R244 PolarHBondContact O-N 3.38Å; L242-R244 VanDerWaalsContact O-N 3.17Å; R244-L281 HydrophobicContact CB-CD2 4.26Å; R244-F287 HydrophobicContact CB-CD1 4.1Å; R244-F287 HydrophobicContact CB-CE1 4.3Å; R244-F287 CarbonylContact O-C 3.57Å; R244-F287 WeakPolarHBondContact O-CA 3.42Å; R244-F287 WeakPolarHBondContact O-CB 3.24Å; R244-N288 PolarHBondContact O-N 3.13Å |
| 245 | L | 89.4 | Confident | 77.3 | Confident | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -89.8 | -32 | -172 | -66.7 | 169.2 | 0 | 0 | 0 | 113.4 | M174 D241 L242 V275 L280 L281 N286 F287 S289 F290 | M174-L245 HydrophobicContact CE-CB 3.98Å; M174-L245 HydrophobicContact CE-CD1 3.8Å; M174-L245 HydrophobicContact CE-CG 4.37Å; D241-L245 VanDerWaalsContact O-CG 3.31Å; D241-L245 WeakPolarHBondContact O-CG 3.48Å; D241-L245 PolarHBondContact O-N 3.44Å; L242-L245 PolarHBondContact O-N 3.47Å; L245-V275 HydrophobicContact CD1-CG1 3.74Å; L245-V275 HydrophobicContact CD1-CG2 4.43Å; L245-L280 HydrophobicContact CD1-CB 4.39Å; L245-L280 HydrophobicContact CD1-CD1 4.48Å; L245-L280 HydrophobicContact CD2-CB 4.04Å; L245-L281 HydrophobicContact CD1-CD2 4Å; L245-L281 HydrophobicContact CD1-CG 4.45Å; L245-L281 HydrophobicContact CD2-CD2 4.02Å; L245-L281 HydrophobicContact CG-CD2 3.85Å; L245-N286 HydrophobicContact CD2-CB 3.96Å; L245-F287 HydrophobicContact CD2-CD1 4.33Å; L245-S289 PolarHBondContact O-N 3.06Å; L245-S289 VanDerWaalsContact O-N 3.15Å; L245-F290 HydrophobicContact CB-CD2 4.49Å; L245-F290 PolarHBondContact O-N 3.4Å |
| 246 | L | 88.2 | Confident | 76.7 | Confident | 7 Ų | 7 | 77.8 Ų | 77.8 | 4% | 0.037 | 39% | 0.392 | C | S | . | . | B | Isolated β-bridge | trans | -78.9 | 135.6 | -174.1 | -65.9 | -178.9 | 0 | 0 | 0 | 112.1 | L242 V254 L259 N288 F290 L292 | L242-L246 HydrophobicContact CB-CD1 3.91Å; L242-L246 HydrophobicContact CB-CG 4.15Å; L242-L246 HydrophobicContact CD1-CD1 4.48Å; L242-L246 HydrophobicContact CD2-CD1 4.12Å; L242-L246 HydrophobicContact CD2-CD2 4.17Å; L242-L246 HydrophobicContact CD2-CG 4.03Å; L242-L246 HydrophobicContact CG-CD1 4.39Å; L242-L246 VanDerWaalsContact O-CB 3.25Å; L242-L246 WeakPolarHBondContact O-CB 3.32Å; L242-L246 VanDerWaalsContact O-CG 3.26Å; L242-L246 WeakPolarHBondContact O-CG 3.39Å; L242-L246 PolarHBondContact O-N 2.79Å; L246-V254 HydrophobicContact CB-CG1 4.07Å; L246-V254 HydrophobicContact CB-CG2 4.47Å; L246-V254 HydrophobicContact CD1-CG1 4.13Å; L246-L259 HydrophobicContact CD1-CD1 3.78Å; L246-N288 PolarHBondContact O-OD1 3.19Å; L246-F290 CarbonylContact C-O 3.51Å; L246-F290 WeakPolarHBondContact CA-O 3.48Å; L246-F290 HydrophobicContact CD2-CB 4.45Å; L246-L292 HydrophobicContact CD1-CB 4.32Å; L246-L292 HydrophobicContact CD2-CB 3.85Å |
| 247 | R | 80.6 | Confident | 76.1 | Confident | 105 Ų | 105 | 74.5 Ų | 74.5 | 40% | 0.396 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 136.9 | 173.3 | 71.5 | -174 | -177.1 | -146.4 | 0.6 | 111.1 | K249 N288 F290 S291 | R247-K249 PolarHBondContact O-N 2.95Å; R247-N288 WeakPolarHBondContact CA-O 3.36Å; R247-N288 VanDerWaalsContact CB-O 3.23Å; R247-N288 WeakPolarHBondContact CB-O 3.43Å; R247-F290 PolarHBondContact N-O 2.89Å; R247-S291 VanDerWaalsContact CZ-CB 3.47Å |
| 248 | S | 68.4 | Low | 75.7 | Confident | 47 Ų | 47 | 76.2 Ų | 76.2 | 33% | 0.329 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -68 | 119.6 | 171.2 | 173.6 | 0 | 0 | 0 | 0 | 110 | R250 G251 E252 | S248-R250 PolarHBondContact O-N 3.48Å; S248-G251 WeakPolarHBondContact OG-CA 3.47Å; S248-G251 PolarHBondContact OG-N 3.36Å; S248-G251 VanDerWaalsContact OG-N 3.1Å; S248-E252 VanDerWaalsContact CB-O 3.31Å; S248-E252 WeakPolarHBondContact CB-O 3.25Å; S248-E252 PolarHBondContact OG-N 3.28Å; S248-E252 VanDerWaalsContact OG-N 3.11Å; S248-E252 PolarHBondContact OG-O 3.49Å |
| 249 | K | 58.7 | Low | 75.4 | Confident | 162 Ų | 162 | 78.3 Ų | 78.3 | 70% | 0.704 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -77.2 | 113 | 163.9 | -71.8 | -176.9 | -179.9 | 176.3 | 0 | 106.8 | R247 | R247-K249 PolarHBondContact O-N 2.95Š|
| 250 | R | 55 | Low | 75.3 | Confident | 250 Ų | 250 | 80 Ų | 80 | 94% | 0.943 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 26.5 | 170.6 | -51.3 | 178 | 174.2 | -179.5 | -2.9 | 117.1 | S248 E252 | S248-R250 PolarHBondContact O-N 3.48Å; R250-E252 VanDerWaalsContact C-N 3.3Å; R250-E252 PolarHBondContact O-N 3.16Å |
| 251 | G | 53.4 | Low | 75.1 | Confident | 77 Ų | 77 | 76.4 Ų | 76.4 | 79% | 0.794 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 6.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | S248 | S248-G251 WeakPolarHBondContact OG-CA 3.47Å; S248-G251 PolarHBondContact OG-N 3.36Å; S248-G251 VanDerWaalsContact OG-N 3.1Å |
| 252 | E | 59.7 | Low | 74.9 | Confident | 151 Ų | 151 | 77.3 Ų | 77.3 | 71% | 0.706 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -85.7 | 144.5 | 170 | -69.1 | -178.2 | 170.7 | 0 | 0 | 111 | S248 R250 V254 | S248-E252 VanDerWaalsContact CB-O 3.31Å; S248-E252 WeakPolarHBondContact CB-O 3.25Å; S248-E252 PolarHBondContact OG-N 3.28Å; S248-E252 VanDerWaalsContact OG-N 3.11Å; S248-E252 PolarHBondContact OG-O 3.49Å; R250-E252 VanDerWaalsContact C-N 3.3Å; R250-E252 PolarHBondContact O-N 3.16Å; E252-V254 PolarHBondContact O-N 3.34Å |
| 253 | T | 60.3 | Low | 74.7 | Confident | 137 Ų | 137 | 83.8 Ų | 83.8 | 84% | 0.84 | 44% | 0.442 | S | S | * | . | trans | -59.8 | 123.5 | 171.4 | 48.4 | 0 | 0 | 0 | 0 | 109.4 | A255 | T253-A255 PolarHBondContact O-N 3.37Š| ||
| 254 | V | 63.5 | Low | 74.8 | Confident | 35 Ų | 35 | 82.9 Ų | 82.9 | 21% | 0.212 | 44% | 0.435 | C | S | . | . | trans | -63.3 | 106 | 179.9 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | N243 L246 E252 S256 | N243-V254 PolarHBondContact OD1-O 3.15Å; L246-V254 HydrophobicContact CB-CG1 4.07Å; L246-V254 HydrophobicContact CB-CG2 4.47Å; L246-V254 HydrophobicContact CD1-CG1 4.13Å; E252-V254 PolarHBondContact O-N 3.34Å; V254-S256 VanDerWaalsContact C-N 3.34Å; V254-S256 PolarHBondContact O-N 3.19Å | ||
| 255 | A | 69.9 | Low | 74.8 | Confident | 46 Ų | 46 | 84.2 Ų | 84.2 | 38% | 0.38 | 45% | 0.446 | S | S | . | . | trans | -87 | 79.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | T253 N257 T258 | T253-A255 PolarHBondContact O-N 3.37Å; A255-N257 VanDerWaalsContact C-OD1 3.26Å; A255-N257 WeakPolarHBondContact CB-OD1 3.38Å; A255-N257 PolarHBondContact O-N 3Å; A255-N257 PolarHBondContact O-OD1 2.83Å; A255-T258 PolarHBondContact O-N 3.46Å; A255-T258 PolarHBondContact O-OG1 2.89Å | ||
| 256 | S | 72.2 | Confident | 74.9 | Confident | 0 Ų | 0 | 85.2 Ų | 85.2 | 0% | 0 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -58.8 | -24.3 | -174.3 | 63.5 | 0 | 0 | 0 | 0 | 112.8 | V239 N243 V254 T258 L259 L262 | V239-S256 WeakPolarHBondContact CG1-OG 3.24Å; V239-S256 PolarHBondContact O-OG 3.15Å; N243-S256 WeakPolarHBondContact OD1-CB 3.41Å; N243-S256 PolarHBondContact OD1-N 3.29Å; N243-S256 PolarHBondContact OD1-OG 2.79Å; V254-S256 VanDerWaalsContact C-N 3.34Å; V254-S256 PolarHBondContact O-N 3.19Å; S256-T258 PolarHBondContact O-N 3Å; S256-T258 VanDerWaalsContact O-N 3.1Å; S256-L259 VanDerWaalsContact O-CB 3.29Å; S256-L259 WeakPolarHBondContact O-CB 3.44Å; S256-L259 WeakPolarHBondContact O-CG 3.19Å; S256-L259 PolarHBondContact O-N 2.93Å; S256-L262 WeakPolarHBondContact O-CD1 3.37Å |
| 257 | N | 71.5 | Confident | 75.1 | Confident | 111 Ų | 111 | 84.9 Ų | 84.9 | 59% | 0.594 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -58 | -17.3 | 174.5 | 65.4 | -21.3 | 0 | 0 | 0 | 115.1 | V239 A255 L262 | V239-N257 HydrophobicContact CG1-CB 4.18Å; A255-N257 VanDerWaalsContact C-OD1 3.26Å; A255-N257 WeakPolarHBondContact CB-OD1 3.38Å; A255-N257 PolarHBondContact O-N 3Å; A255-N257 PolarHBondContact O-OD1 2.83Å; N257-L262 VanDerWaalsContact CA-CD1 3.46Å |
| 258 | T | 78.6 | Confident | 75.7 | Confident | 108 Ų | 108 | 80 Ų | 80 | 66% | 0.663 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -97 | -2.1 | 178.5 | 59.6 | 0 | 0 | 0 | 0 | 113.6 | A255 S256 | A255-T258 PolarHBondContact O-N 3.46Å; A255-T258 PolarHBondContact O-OG1 2.89Å; S256-T258 PolarHBondContact O-N 3Å; S256-T258 VanDerWaalsContact O-N 3.1Å |
| 259 | L | 82.7 | Confident | 76.9 | Confident | 48 Ų | 48 | 78.1 Ų | 78.1 | 25% | 0.251 | 42% | 0.419 | S | S | . | . | trans | -75.7 | 131.6 | -176.2 | -66.2 | 175.4 | 0 | 0 | 0 | 111.2 | L246 S256 E261 L262 L292 | L246-L259 HydrophobicContact CD1-CD1 3.78Å; S256-L259 VanDerWaalsContact O-CB 3.29Å; S256-L259 WeakPolarHBondContact O-CB 3.44Å; S256-L259 WeakPolarHBondContact O-CG 3.19Å; S256-L259 PolarHBondContact O-N 2.93Å; L259-E261 WeakPolarHBondContact CB-OE2 3.34Å; L259-E261 PolarHBondContact O-N 3.21Å; L259-E261 VanDerWaalsContact O-N 3.15Å; L259-L262 WeakPolarHBondContact O-CB 3.49Å; L259-L262 PolarHBondContact O-N 3.27Å; L259-L262 VanDerWaalsContact O-N 3.09Å; L259-L292 HydrophobicContact CD1-CD2 4.02Å | ||
| 260 | P | 84 | Confident | 78.5 | Confident | 87 Ų | 87 | 70.4 Ų | 70.4 | 57% | 0.565 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -62.9 | -21.5 | 178.9 | 27.3 | -35.3 | 0 | 0 | 0 | 112.6 | L262 D263 | P260-L262 PolarHBondContact O-N 2.81Å; P260-D263 PolarHBondContact O-N 2.85Å |
| 261 | E | 84.3 | Confident | 80.4 | Confident | 31 Ų | 31 | 58.5 Ų | 58.5 | 15% | 0.145 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -62.5 | -25.5 | 175.1 | -68.9 | 85.6 | 178.1 | 0 | 0 | 113.6 | V176 L259 D263 K264 L292 T294 | V176-E261 HydrophobicContact CG2-CB 3.96Å; V176-E261 HydrophobicContact CG2-CG 4.02Å; L259-E261 WeakPolarHBondContact CB-OE2 3.34Å; L259-E261 PolarHBondContact O-N 3.21Å; L259-E261 VanDerWaalsContact O-N 3.15Å; E261-D263 VanDerWaalsContact C-N 3.25Å; E261-D263 PolarHBondContact O-N 3.16Å; E261-K264 PolarHBondContact O-N 3.06Å; E261-L292 HydrophobicContact CB-CD2 3.58Å; E261-L292 HydrophobicContact CB-CG 4.21Å; E261-L292 HydrophobicContact CG-CD2 3.93Å; E261-L292 HydrophobicContact CG-CG 4.08Å; E261-T294 WeakPolarHBondContact CG-OG1 3.39Å |
| 262 | L | 85.9 | Confident | 82.3 | Confident | 32 Ų | 32 | 54.8 Ų | 54.8 | 17% | 0.168 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -69.9 | -20.1 | 179.6 | -80 | 176.4 | 0 | 0 | 0 | 113.9 | V239 S256 N257 L259 P260 K264 M268 | V239-L262 HydrophobicContact CG2-CD1 4.18Å; V239-L262 HydrophobicContact CG2-CD2 4.2Å; S256-L262 WeakPolarHBondContact O-CD1 3.37Å; N257-L262 VanDerWaalsContact CA-CD1 3.46Å; L259-L262 WeakPolarHBondContact O-CB 3.49Å; L259-L262 PolarHBondContact O-N 3.27Å; L259-L262 VanDerWaalsContact O-N 3.09Å; P260-L262 PolarHBondContact O-N 2.81Å; L262-K264 PolarHBondContact O-N 2.9Å; L262-M268 HydrophobicContact CD2-CE 3.8Å; L262-M268 HydrophobicContact CD2-CG 4.12Å; L262-M268 HydrophobicContact CD2-SD 4.2Å |
| 263 | D | 86.8 | Confident | 83.9 | Confident | 137 Ų | 137 | 47.6 Ų | 47.6 | 73% | 0.733 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -62.6 | -22.7 | 177.3 | -69 | -22.3 | 0 | 0 | 0 | 111.7 | P260 E261 Q265 | P260-D263 PolarHBondContact O-N 2.85Å; E261-D263 VanDerWaalsContact C-N 3.25Å; E261-D263 PolarHBondContact O-N 3.16Å; D263-Q265 VanDerWaalsContact C-N 3.34Å; D263-Q265 PolarHBondContact O-N 2.85Å |
| 264 | K | 88.7 | Confident | 85.4 | Confident | 47 Ų | 47 | 41.1 Ų | 41.1 | 20% | 0.204 | 23% | 0.229 | C | C | . | . | trans | -82.6 | 71.9 | 177.9 | -64.1 | 174.2 | -176.5 | 163.6 | 0 | 112 | E178 E261 L262 V266 A267 M268 T294 | E178-K264 HydrophobicContact CB-CB 4.06Å; E178-K264 HydrophobicContact CB-CD 4.07Å; E178-K264 HydrophobicContact CB-CG 3.99Å; E178-K264 WeakPolarHBondContact OE2-CA 3.39Å; E178-K264 WeakPolarHBondContact OE2-CB 3.45Å; E261-K264 PolarHBondContact O-N 3.06Å; L262-K264 PolarHBondContact O-N 2.9Å; K264-V266 VanDerWaalsContact C-N 3.26Å; K264-V266 PolarHBondContact O-N 2.89Å; K264-A267 HydrophobicContact CB-CB 3.96Å; K264-A267 PolarHBondContact O-N 3.05Å; K264-M268 VanDerWaalsContact O-CG 3.32Å; K264-M268 WeakPolarHBondContact O-CG 3.43Å; K264-M268 PolarHBondContact O-N 2.85Å; K264-T294 PolarHBondContact NZ-OG1 3.01Å | ||
| 265 | Q | 89.6 | Confident | 86.7 | Confident | 150 Ų | 150 | 39.5 Ų | 39.5 | 70% | 0.701 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -58.1 | -35.5 | -171.4 | -62.1 | -158.7 | -5.9 | 0 | 0 | 113.9 | E178 D263 S269 | E178-Q265 PolarHBondContact OE2-N 3.47Å; D263-Q265 VanDerWaalsContact C-N 3.34Å; D263-Q265 PolarHBondContact O-N 2.85Å; Q265-S269 WeakPolarHBondContact O-CB 3.44Å; Q265-S269 PolarHBondContact O-N 3.47Å; Q265-S269 VanDerWaalsContact O-N 3.13Å |
| 266 | V | 91.4 | Very high | 87.7 | Confident | 21 Ų | 21 | 40.3 Ų | 40.3 | 13% | 0.127 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72.5 | -43.7 | -179.5 | -168.6 | 0 | 0 | 0 | 0 | 109.9 | R151 A153 E178 K264 M268 S269 C270 | R151-V266 HydrophobicContact CB-CG1 4.4Å; A153-V266 HydrophobicContact CB-CG2 3.97Å; E178-V266 PolarHBondContact OE2-N 3.34Å; E178-V266 VanDerWaalsContact OE2-N 3.17Å; K264-V266 VanDerWaalsContact C-N 3.26Å; K264-V266 PolarHBondContact O-N 2.89Å; V266-M268 PolarHBondContact O-N 2.67Å; V266-S269 WeakPolarHBondContact O-CB 3.46Å; V266-S269 PolarHBondContact O-N 3.12Å; V266-C270 PolarHBondContact O-N 2.98Å; V266-C270 PolarHBondContact O-SG 2.88Å |
| 267 | A | 92.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.9 | -39.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V176 C177 E178 K264 S269 C270 L271 | V176-A267 HydrophobicContact CB-CB 3.96Å; V176-A267 HydrophobicContact CG1-CB 4.41Å; C177-A267 WeakPolarHBondContact O-CB 3.45Å; E178-A267 HydrophobicContact CB-CB 4.24Å; E178-A267 PolarHBondContact OE2-N 2.85Å; K264-A267 HydrophobicContact CB-CB 3.96Å; K264-A267 PolarHBondContact O-N 3.05Å; A267-S269 VanDerWaalsContact C-N 3.32Å; A267-S269 PolarHBondContact O-N 2.85Å; A267-C270 WeakPolarHBondContact O-CB 3.31Å; A267-C270 PolarHBondContact O-N 2.97Å; A267-C270 VanDerWaalsContact O-N 3.15Å; A267-L271 PolarHBondContact O-N 3.35Å |
| 268 | M | 92.3 | Very high | 89.3 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.02 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -35.6 | 176.6 | -69.7 | -50.9 | -52 | 0 | 0 | 112.7 | V176 I238 L242 L262 K264 V266 C270 L271 A272 | V176-M268 HydrophobicContact CG1-SD 3.9Å; I238-M268 HydrophobicContact CG1-CE 3.52Å; I238-M268 HydrophobicContact CG2-CE 4.19Å; L242-M268 HydrophobicContact CD1-CE 3.7Å; L262-M268 HydrophobicContact CD2-CE 3.8Å; L262-M268 HydrophobicContact CD2-CG 4.12Å; L262-M268 HydrophobicContact CD2-SD 4.2Å; K264-M268 VanDerWaalsContact O-CG 3.32Å; K264-M268 WeakPolarHBondContact O-CG 3.43Å; K264-M268 PolarHBondContact O-N 2.85Å; V266-M268 PolarHBondContact O-N 2.67Å; M268-C270 VanDerWaalsContact C-N 3.31Å; M268-L271 HydrophobicContact CE-CD2 3.95Å; M268-L271 PolarHBondContact O-N 3.48Å; M268-L271 HydrophobicContact SD-CD2 4.46Å; M268-A272 WeakPolarHBondContact O-CB 3.43Å; M268-A272 PolarHBondContact O-N 2.91Å |
| 269 | S | 92.9 | Very high | 89.7 | Confident | 6 Ų | 6 | 36.2 Ų | 36.2 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.4 | -41.2 | 171.9 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | R151 F233 Q265 V266 A267 A273 | R151-S269 PolarHBondContact NH1-OG 3.35Å; F233-S269 WeakPolarHBondContact O-CB 3.33Å; F233-S269 PolarHBondContact O-OG 2.83Å; Q265-S269 WeakPolarHBondContact O-CB 3.44Å; Q265-S269 PolarHBondContact O-N 3.47Å; Q265-S269 VanDerWaalsContact O-N 3.13Å; V266-S269 WeakPolarHBondContact O-CB 3.46Å; V266-S269 PolarHBondContact O-N 3.12Å; A267-S269 VanDerWaalsContact C-N 3.32Å; A267-S269 PolarHBondContact O-N 2.85Å; S269-A273 PolarHBondContact O-N 3Å |
| 270 | C | 93.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.4 | -46.9 | 174.6 | -67 | 0 | 0 | 0 | 0 | 112.2 | A149 R151 G163 V266 A267 M268 A272 A273 V274 | A149-C270 HydrophobicContact CB-CB 3.87Å; A149-C270 WeakPolarHBondContact CB-O 3.47Å; A149-C270 WeakPolarHBondContact O-CB 3.44Å; R151-C270 WeakPolarHBondContact CB-SG 3.39Å; R151-C270 PolarHBondContact N-SG 3.15Å; G163-C270 PolarHBondContact O-SG 3.35Å; V266-C270 PolarHBondContact O-N 2.98Å; V266-C270 PolarHBondContact O-SG 2.88Å; A267-C270 WeakPolarHBondContact O-CB 3.31Å; A267-C270 PolarHBondContact O-N 2.97Å; A267-C270 VanDerWaalsContact O-N 3.15Å; M268-C270 VanDerWaalsContact C-N 3.31Å; C270-A272 VanDerWaalsContact C-N 3.26Å; C270-A272 PolarHBondContact O-N 2.97Å; C270-A273 WeakPolarHBondContact O-CB 3.46Å; C270-A273 PolarHBondContact O-N 2.95Å; C270-V274 PolarHBondContact O-N 2.9Å; C270-V274 VanDerWaalsContact O-N 3.11Å |
| 271 | L | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.1 | -41.8 | 178.4 | -176.5 | 65.4 | 0 | 0 | 0 | 111.3 | V167 M174 V176 L242 A267 M268 A273 V274 V275 L292 | V167-L271 HydrophobicContact CG2-CD1 3.71Å; M174-L271 HydrophobicContact CB-CD1 4.14Å; M174-L271 HydrophobicContact CB-CD2 4.44Å; V176-L271 HydrophobicContact CG1-CB 4.1Å; V176-L271 HydrophobicContact CG1-CD2 3.85Å; V176-L271 HydrophobicContact CG1-CG 4.46Å; L242-L271 HydrophobicContact CD2-CD2 4.3Å; A267-L271 PolarHBondContact O-N 3.35Å; M268-L271 HydrophobicContact CE-CD2 3.95Å; M268-L271 PolarHBondContact O-N 3.48Å; M268-L271 HydrophobicContact SD-CD2 4.46Å; L271-A273 VanDerWaalsContact C-N 3.28Å; L271-A273 PolarHBondContact O-N 2.79Å; L271-V274 PolarHBondContact O-N 2.91Å; L271-V274 VanDerWaalsContact O-N 3.11Å; L271-V275 HydrophobicContact CD1-CG2 4.47Å; L271-V275 HydrophobicContact CG-CG2 4.34Å; L271-V275 WeakPolarHBondContact O-CG2 3.43Å; L271-V275 PolarHBondContact O-N 2.91Å; L271-L292 HydrophobicContact CD2-CD1 3.86Å |
| 272 | A | 93.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.9 | -36.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I238 M268 C270 R276 | I238-A272 HydrophobicContact CB-CB 4.22Å; I238-A272 HydrophobicContact CD1-CB 3.8Å; I238-A272 HydrophobicContact CG1-CB 4.1Å; M268-A272 WeakPolarHBondContact O-CB 3.43Å; M268-A272 PolarHBondContact O-N 2.91Å; C270-A272 VanDerWaalsContact C-N 3.26Å; C270-A272 PolarHBondContact O-N 2.97Å; A272-R276 WeakPolarHBondContact O-CG 3.45Å; A272-R276 PolarHBondContact O-N 3.28Å; A272-R276 VanDerWaalsContact O-N 3.15Å |
| 273 | A | 93.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.5 | -41.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A149 E232 F233 S269 C270 L271 R276 F277 | A149-A273 HydrophobicContact CB-CB 4.33Å; E232-A273 WeakPolarHBondContact O-CA 3.44Å; F233-A273 HydrophobicContact CD1-CB 3.71Å; F233-A273 HydrophobicContact CD2-CB 4.05Å; F233-A273 HydrophobicContact CE1-CB 3.74Å; F233-A273 HydrophobicContact CE2-CB 4.08Å; F233-A273 HydrophobicContact CG-CB 3.88Å; F233-A273 HydrophobicContact CZ-CB 3.92Å; S269-A273 PolarHBondContact O-N 3Å; C270-A273 WeakPolarHBondContact O-CB 3.46Å; C270-A273 PolarHBondContact O-N 2.95Å; L271-A273 VanDerWaalsContact C-N 3.28Å; L271-A273 PolarHBondContact O-N 2.79Å; A273-R276 PolarHBondContact O-N 3.19Å; A273-F277 VanDerWaalsContact O-CB 3.3Å; A273-F277 WeakPolarHBondContact O-CB 3.03Å; A273-F277 PolarHBondContact O-N 3.1Å |
| 274 | V | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.9 | -45.6 | 176.8 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | V147 A149 G165 V167 L201 C270 L271 R276 F277 L278 | V147-V274 HydrophobicContact CB-CG1 3.97Å; V147-V274 HydrophobicContact CG1-CG1 4.1Å; V147-V274 HydrophobicContact CG1-CG2 4.49Å; A149-V274 HydrophobicContact CB-CG2 3.43Å; A149-V274 VanDerWaalsContact CB-CG2 3.43Å; G165-V274 WeakPolarHBondContact O-CG2 3.25Å; V167-V274 HydrophobicContact CB-CG1 3.76Å; V167-V274 HydrophobicContact CG2-CB 4.13Å; V167-V274 HydrophobicContact CG2-CG1 3.53Å; L201-V274 HydrophobicContact CD1-CG2 4.17Å; C270-V274 PolarHBondContact O-N 2.9Å; C270-V274 VanDerWaalsContact O-N 3.11Å; L271-V274 PolarHBondContact O-N 2.91Å; L271-V274 VanDerWaalsContact O-N 3.11Å; V274-R276 VanDerWaalsContact C-N 3.3Å; V274-R276 PolarHBondContact O-N 3.32Å; V274-F277 PolarHBondContact O-N 3Å; V274-L278 HydrophobicContact CG1-CD1 3.84Å; V274-L278 HydrophobicContact CG1-CG 4.21Å; V274-L278 WeakPolarHBondContact O-CB 3.29Å; V274-L278 PolarHBondContact O-N 3.36Å |
| 275 | V | 91.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.3 | -43.6 | 178.7 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | M174 L245 L271 E279 L280 | M174-V275 HydrophobicContact CE-CG2 4.36Å; L245-V275 HydrophobicContact CD1-CG1 3.74Å; L245-V275 HydrophobicContact CD1-CG2 4.43Å; L271-V275 HydrophobicContact CD1-CG2 4.47Å; L271-V275 HydrophobicContact CG-CG2 4.34Å; L271-V275 WeakPolarHBondContact O-CG2 3.43Å; L271-V275 PolarHBondContact O-N 2.91Å; V275-E279 PolarHBondContact O-N 3.2Å; V275-L280 HydrophobicContact CB-CD1 4.5Å; V275-L280 HydrophobicContact CG1-CB 4.42Å; V275-L280 HydrophobicContact CG1-CD1 4.4Å; V275-L280 HydrophobicContact CG2-CD1 4.21Å; V275-L280 PolarHBondContact O-N 3.06Å |
| 276 | R | 90.8 | Very high | 88.9 | Confident | 64 Ų | 64 | 29.9 Ų | 29.9 | 24% | 0.242 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.9 | -41.7 | 176.1 | -70.8 | -178.9 | -174.8 | 106.6 | 1 | 112.3 | E232 S234 D237 A272 A273 V274 E279 | E232-R276 PolarHBondContact O-NH1 3.36Å; S234-R276 PolarHBondContact O-NH1 3.26Å; S234-R276 PolarHBondContact O-NH2 3.21Å; D237-R276 IonicContact OD2-NH2 2.81Å; D237-R276 PolarHBondContact OD2-NH2 3.29Å; A272-R276 WeakPolarHBondContact O-CG 3.45Å; A272-R276 PolarHBondContact O-N 3.28Å; A272-R276 VanDerWaalsContact O-N 3.15Å; A273-R276 PolarHBondContact O-N 3.19Å; V274-R276 VanDerWaalsContact C-N 3.3Å; V274-R276 PolarHBondContact O-N 3.32Å; R276-E279 PolarHBondContact O-N 3.2Å; R276-E279 VanDerWaalsContact O-N 3.13Å |
| 277 | F | 89.3 | Confident | 88.7 | Confident | 31 Ų | 31 | 31.8 Ų | 31.8 | 14% | 0.136 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.7 | -40.8 | 179.5 | 176.1 | -98.6 | 0 | 0 | 0 | 112.9 | V147 E199 L201 A273 V274 E279 | V147-F277 HydrophobicContact CG1-CD1 3.87Å; V147-F277 HydrophobicContact CG1-CE1 4.1Å; V147-F277 HydrophobicContact CG2-CD1 4.18Å; V147-F277 HydrophobicContact CG2-CE1 3.96Å; E199-F277 WeakPolarHBondContact OE1-CZ 3.47Å; L201-F277 HydrophobicContact CD1-CB 3.46Å; L201-F277 VanDerWaalsContact CD1-CB 3.46Å; L201-F277 HydrophobicContact CD1-CD1 4.08Å; L201-F277 HydrophobicContact CD1-CD2 4.29Å; L201-F277 HydrophobicContact CD1-CG 3.68Å; L201-F277 HydrophobicContact CD2-CB 4.48Å; L201-F277 HydrophobicContact CD2-CD1 3.95Å; L201-F277 HydrophobicContact CD2-CD2 3.79Å; L201-F277 HydrophobicContact CD2-CE1 4.08Å; L201-F277 HydrophobicContact CD2-CE2 3.91Å; L201-F277 HydrophobicContact CD2-CG 3.8Å; L201-F277 HydrophobicContact CD2-CZ 4.05Å; L201-F277 HydrophobicContact CG-CG 4.38Å; A273-F277 VanDerWaalsContact O-CB 3.3Å; A273-F277 WeakPolarHBondContact O-CB 3.03Å; A273-F277 PolarHBondContact O-N 3.1Å; V274-F277 PolarHBondContact O-N 3Å; F277-E279 PolarHBondContact O-N 3.04Å |
| 278 | L | 87.6 | Confident | 88.2 | Confident | 15 Ų | 15 | 36.6 Ų | 36.6 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -4.5 | 175.5 | -69.9 | -179.7 | 0 | 0 | 0 | 113 | N126 V147 V167 V274 L280 | N126-L278 HydrophobicContact CB-CD2 3.74Å; V147-L278 HydrophobicContact CB-CD2 4.44Å; V147-L278 HydrophobicContact CG2-CD2 3.74Å; V147-L278 HydrophobicContact CG2-CG 4.38Å; V167-L278 HydrophobicContact CB-CD1 3.78Å; V167-L278 HydrophobicContact CG1-CD1 3.85Å; V167-L278 HydrophobicContact CG2-CD1 4.48Å; V274-L278 HydrophobicContact CG1-CD1 3.84Å; V274-L278 HydrophobicContact CG1-CG 4.21Å; V274-L278 WeakPolarHBondContact O-CB 3.29Å; V274-L278 PolarHBondContact O-N 3.36Å; L278-L280 HydrophobicContact CB-CD2 3.7Å; L278-L280 HydrophobicContact CB-CG 3.78Å; L278-L280 HydrophobicContact CD1-CD2 4.26Å; L278-L280 PolarHBondContact O-N 3.24Å; L278-L280 VanDerWaalsContact O-N 3.16Å |
| 279 | E | 87.4 | Confident | 87.7 | Confident | 86 Ų | 86 | 37.1 Ų | 37.1 | 40% | 0.402 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 36.2 | -179.4 | -60.7 | 178.6 | -169.2 | 0 | 0 | 112.1 | K121 V275 R276 F277 L281 S282 | K121-E279 IonicContact NZ-OE1 3.97Å; K121-E279 PolarHBondContact NZ-OE1 3.04Å; V275-E279 PolarHBondContact O-N 3.2Å; R276-E279 PolarHBondContact O-N 3.2Å; R276-E279 VanDerWaalsContact O-N 3.13Å; F277-E279 PolarHBondContact O-N 3.04Å; E279-L281 PolarHBondContact O-N 2.84Å; E279-L281 VanDerWaalsContact O-N 3.14Å; E279-S282 VanDerWaalsContact O-CB 3.26Å; E279-S282 WeakPolarHBondContact O-CB 3.45Å; E279-S282 PolarHBondContact O-N 3.03Å; E279-S282 PolarHBondContact O-OG 3.4Å |
| 280 | L | 87.1 | Confident | 87.4 | Confident | 8 Ų | 8 | 36.8 Ų | 36.8 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -60 | -33.1 | -169.6 | -63.2 | 179.9 | 0 | 0 | 0 | 113.1 | V167 M174 L245 V275 L278 S282 D283 N286 F290 | V167-L280 HydrophobicContact CG1-CD1 4.13Å; M174-L280 HydrophobicContact CE-CD1 3.66Å; L245-L280 HydrophobicContact CD1-CB 4.39Å; L245-L280 HydrophobicContact CD1-CD1 4.48Å; L245-L280 HydrophobicContact CD2-CB 4.04Å; V275-L280 HydrophobicContact CB-CD1 4.5Å; V275-L280 HydrophobicContact CG1-CB 4.42Å; V275-L280 HydrophobicContact CG1-CD1 4.4Å; V275-L280 HydrophobicContact CG2-CD1 4.21Å; V275-L280 PolarHBondContact O-N 3.06Å; L278-L280 HydrophobicContact CB-CD2 3.7Å; L278-L280 HydrophobicContact CB-CG 3.78Å; L278-L280 HydrophobicContact CD1-CD2 4.26Å; L278-L280 PolarHBondContact O-N 3.24Å; L278-L280 VanDerWaalsContact O-N 3.16Å; L280-S282 VanDerWaalsContact C-N 3.27Å; L280-S282 PolarHBondContact O-N 2.87Å; L280-D283 PolarHBondContact O-N 2.92Å; L280-N286 WeakPolarHBondContact O-CB 3.15Å; L280-N286 PolarHBondContact O-ND2 3.17Å; L280-F290 HydrophobicContact CD1-CE2 4.47Å; L280-F290 HydrophobicContact CD1-CZ 4.22Å; L280-F290 HydrophobicContact CD2-CZ 4.26Å |
| 281 | L | 87.7 | Confident | 87.1 | Confident | 53 Ų | 53 | 37.5 Ų | 37.5 | 28% | 0.277 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -75.8 | -14.7 | 179.5 | -64.2 | 170.2 | 0 | 0 | 0 | 113.7 | D241 R244 L245 E279 F287 | D241-L281 HydrophobicContact CB-CD1 4Å; D241-L281 HydrophobicContact CB-CD2 4.48Å; D241-L281 VanDerWaalsContact CG-CD1 3.49Å; D241-L281 VanDerWaalsContact OD1-CD1 3.23Å; D241-L281 WeakPolarHBondContact OD1-CD1 3.39Å; R244-L281 HydrophobicContact CB-CD2 4.26Å; L245-L281 HydrophobicContact CD1-CD2 4Å; L245-L281 HydrophobicContact CD1-CG 4.45Å; L245-L281 HydrophobicContact CD2-CD2 4.02Å; L245-L281 HydrophobicContact CG-CD2 3.85Å; E279-L281 PolarHBondContact O-N 2.84Å; E279-L281 VanDerWaalsContact O-N 3.14Å; L281-F287 HydrophobicContact CD2-CE1 3.98Å |
| 282 | S | 85.6 | Confident | 86.9 | Confident | 96 Ų | 96 | 38.6 Ų | 38.6 | 67% | 0.671 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -75.6 | -16.8 | 176.8 | -56 | 0 | 0 | 0 | 0 | 112.2 | E279 L280 | E279-S282 VanDerWaalsContact O-CB 3.26Å; E279-S282 WeakPolarHBondContact O-CB 3.45Å; E279-S282 PolarHBondContact O-N 3.03Å; E279-S282 PolarHBondContact O-OG 3.4Å; L280-S282 VanDerWaalsContact C-N 3.27Å; L280-S282 PolarHBondContact O-N 2.87Å |
| 283 | D | 80.9 | Confident | 86.7 | Confident | 56 Ų | 56 | 41.1 Ų | 41.1 | 30% | 0.299 | 22% | 0.216 | S | C | . | . | trans | -116.2 | 113.6 | -178.2 | 176.6 | 2 | 0 | 0 | 0 | 109.3 | L280 S285 N286 | L280-D283 PolarHBondContact O-N 2.92Å; D283-S285 PolarHBondContact O-N 3.1Å; D283-S285 VanDerWaalsContact OD1-CB 3.27Å; D283-S285 WeakPolarHBondContact OD1-CB 3.46Å; D283-S285 PolarHBondContact OD1-N 3.07Å; D283-S285 PolarHBondContact OD1-OG 3.38Å; D283-S285 PolarHBondContact OD2-OG 2.9Å; D283-N286 WeakPolarHBondContact CB-ND2 3.39Å; D283-N286 WeakPolarHBondContact O-CB 3.28Å; D283-N286 PolarHBondContact O-N 3.47Å; D283-N286 VanDerWaalsContact O-N 3.1Å | ||
| 284 | E | 81.2 | Confident | 86.5 | Confident | 159 Ų | 159 | 43.1 Ų | 43.1 | 74% | 0.743 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -63.5 | -22.1 | -178.1 | -58.4 | -171.8 | 160 | 0 | 0 | 112.3 | N286 F287 | E284-N286 PolarHBondContact O-N 3.02Å; E284-F287 HydrophobicContact CB-CD2 4.11Å; E284-F287 HydrophobicContact CB-CE2 4Å; E284-F287 HydrophobicContact CG-CD2 4.47Å; E284-F287 HydrophobicContact CG-CE2 3.88Å; E284-F287 PolarHBondContact O-N 2.88Å; E284-F287 VanDerWaalsContact O-N 3.14Å |
| 285 | S | 78.9 | Confident | 86 | Confident | 19 Ų | 19 | 44 Ų | 44 | 13% | 0.133 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -72.9 | 10.7 | 173.7 | 78.9 | 0 | 0 | 0 | 0 | 114.1 | R172 D283 H396 | R172-S285 PolarHBondContact NH2-O 3.44Å; R172-S285 VanDerWaalsContact NH2-O 3.14Å; D283-S285 PolarHBondContact O-N 3.1Å; D283-S285 VanDerWaalsContact OD1-CB 3.27Å; D283-S285 WeakPolarHBondContact OD1-CB 3.46Å; D283-S285 PolarHBondContact OD1-N 3.07Å; D283-S285 PolarHBondContact OD1-OG 3.38Å; D283-S285 PolarHBondContact OD2-OG 2.9Å; S285-H396 PolarHBondContact O-CD2 3.31Å; S285-H396 PolarHBondContact O-NE2 2.86Å |
| 286 | N | 83.7 | Confident | 85.6 | Confident | 8 Ų | 8 | 49.1 Ų | 49.1 | 4% | 0.043 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -108.2 | -7.1 | 171 | -66.9 | -37.3 | 0 | 0 | 0 | 112.4 | R172 L245 L280 D283 E284 S289 F290 | R172-N286 PolarHBondContact NH1-OD1 3.21Å; L245-N286 HydrophobicContact CD2-CB 3.96Å; L280-N286 WeakPolarHBondContact O-CB 3.15Å; L280-N286 PolarHBondContact O-ND2 3.17Å; D283-N286 WeakPolarHBondContact CB-ND2 3.39Å; D283-N286 WeakPolarHBondContact O-CB 3.28Å; D283-N286 PolarHBondContact O-N 3.47Å; D283-N286 VanDerWaalsContact O-N 3.1Å; E284-N286 PolarHBondContact O-N 3.02Å; N286-S289 PolarHBondContact O-OG 2.97Å; N286-F290 HydrophobicContact CB-CE2 3.91Å |
| 287 | F | 85.8 | Confident | 85.1 | Confident | 62 Ų | 62 | 47.5 Ų | 47.5 | 27% | 0.272 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 138.1 | -177.6 | -62 | -25.4 | 0 | 0 | 0 | 111.3 | R244 L245 L281 E284 S289 | R244-F287 HydrophobicContact CB-CD1 4.1Å; R244-F287 HydrophobicContact CB-CE1 4.3Å; R244-F287 CarbonylContact O-C 3.57Å; R244-F287 WeakPolarHBondContact O-CA 3.42Å; R244-F287 WeakPolarHBondContact O-CB 3.24Å; L245-F287 HydrophobicContact CD2-CD1 4.33Å; L281-F287 HydrophobicContact CD2-CE1 3.98Å; E284-F287 HydrophobicContact CB-CD2 4.11Å; E284-F287 HydrophobicContact CB-CE2 4Å; E284-F287 HydrophobicContact CG-CD2 4.47Å; E284-F287 HydrophobicContact CG-CE2 3.88Å; E284-F287 PolarHBondContact O-N 2.88Å; E284-F287 VanDerWaalsContact O-N 3.14Å; F287-S289 PolarHBondContact O-N 3.28Å |
| 288 | N | 83.3 | Confident | 84.8 | Confident | 101 Ų | 101 | 49.1 Ų | 49.1 | 54% | 0.54 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 22.3 | -177.6 | -56.9 | -52.7 | 0 | 0 | 0 | 115.1 | R244 L246 R247 | R244-N288 PolarHBondContact O-N 3.13Å; L246-N288 PolarHBondContact O-OD1 3.19Å; R247-N288 WeakPolarHBondContact CA-O 3.36Å; R247-N288 VanDerWaalsContact CB-O 3.23Å; R247-N288 WeakPolarHBondContact CB-O 3.43Å |
| 289 | S | 80.5 | Confident | 84.9 | Confident | 14 Ų | 14 | 52 Ų | 52 | 10% | 0.098 | 29% | 0.291 | C | S | . | . | trans | -101.9 | -22.5 | -175.5 | 71.8 | 0 | 0 | 0 | 0 | 114.1 | R172 L245 N286 F287 | R172-S289 WeakPolarHBondContact CB-O 3.48Å; L245-S289 PolarHBondContact O-N 3.06Å; L245-S289 VanDerWaalsContact O-N 3.15Å; N286-S289 PolarHBondContact O-OG 2.97Å; F287-S289 PolarHBondContact O-N 3.28Å | ||
| 290 | F | 87.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -94.8 | 151.6 | -169.4 | -72 | -94.7 | 0 | 0 | 0 | 113.4 | V167 R172 M174 L245 L246 R247 L280 N286 | V167-F290 HydrophobicContact CG1-CD1 4.41Å; V167-F290 HydrophobicContact CG1-CE1 3.75Å; V167-F290 HydrophobicContact CG1-CZ 4.46Å; R172-F290 HydrophobicContact CB-CD1 4.17Å; R172-F290 HydrophobicContact CB-CE1 4.39Å; R172-F290 CarbonylContact O-C 3.56Å; R172-F290 WeakPolarHBondContact O-CA 3.41Å; R172-F290 WeakPolarHBondContact O-CD1 3.47Å; M174-F290 HydrophobicContact CE-CB 3.76Å; M174-F290 HydrophobicContact CE-CD1 3.65Å; M174-F290 HydrophobicContact CE-CD2 3.74Å; M174-F290 HydrophobicContact CE-CE1 4.15Å; M174-F290 HydrophobicContact CE-CE2 4.24Å; M174-F290 HydrophobicContact CE-CG 3.43Å; M174-F290 VanDerWaalsContact CE-CG 3.43Å; M174-F290 HydrophobicContact CE-CZ 4.42Å; M174-F290 HydrophobicContact CG-CB 4.06Å; M174-F290 HydrophobicContact CG-CD1 3.81Å; M174-F290 HydrophobicContact CG-CG 4.17Å; M174-F290 HydrophobicContact SD-CB 4.16Å; M174-F290 HydrophobicContact SD-CG 4.39Å; L245-F290 HydrophobicContact CB-CD2 4.49Å; L245-F290 PolarHBondContact O-N 3.4Å; L246-F290 CarbonylContact C-O 3.51Å; L246-F290 WeakPolarHBondContact CA-O 3.48Å; L246-F290 HydrophobicContact CD2-CB 4.45Å; R247-F290 PolarHBondContact N-O 2.89Å; L280-F290 HydrophobicContact CD1-CE2 4.47Å; L280-F290 HydrophobicContact CD1-CZ 4.22Å; L280-F290 HydrophobicContact CD2-CZ 4.26Å; N286-F290 HydrophobicContact CB-CE2 3.91Å |
| 291 | S | 87.6 | Confident | 85.5 | Confident | 15 Ų | 15 | 50 Ų | 50 | 11% | 0.105 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 136.8 | 165.5 | 58.7 | 0 | 0 | 0 | 0 | 112.1 | R172 M174 R247 | R172-S291 PolarHBondContact O-N 2.9Å; M174-S291 PolarHBondContact N-O 3.08Å; R247-S291 VanDerWaalsContact CZ-CB 3.47Å |
| 292 | L | 89.6 | Confident | 85.7 | Confident | 22 Ų | 22 | 49.4 Ų | 49.4 | 12% | 0.115 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 131.2 | 173 | -169.3 | 63.3 | 0 | 0 | 0 | 110.2 | M174 V176 L242 L246 L259 E261 L271 | M174-L292 HydrophobicContact CB-CD1 3.92Å; M174-L292 CarbonylContact O-C 3.59Å; M174-L292 WeakPolarHBondContact O-CA 3.19Å; V176-L292 HydrophobicContact CG1-CD1 4.26Å; V176-L292 HydrophobicContact CG2-CD1 4.45Å; L242-L292 HydrophobicContact CD1-CD2 4.44Å; L246-L292 HydrophobicContact CD1-CB 4.32Å; L246-L292 HydrophobicContact CD2-CB 3.85Å; L259-L292 HydrophobicContact CD1-CD2 4.02Å; E261-L292 HydrophobicContact CB-CD2 3.58Å; E261-L292 HydrophobicContact CB-CG 4.21Å; E261-L292 HydrophobicContact CG-CD2 3.93Å; E261-L292 HydrophobicContact CG-CG 4.08Å; L271-L292 HydrophobicContact CD2-CD1 3.86Å |
| 293 | T | 88.4 | Confident | 85.9 | Confident | 53 Ų | 53 | 44.9 Ų | 44.9 | 33% | 0.325 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 140.8 | 178.4 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | M174 G175 V176 | M174-T293 PolarHBondContact O-N 2.83Å; M174-T293 PolarHBondContact O-OG1 3Å; G175-T293 VanDerWaalsContact CA-O 3.23Å; G175-T293 WeakPolarHBondContact CA-O 3.31Å; V176-T293 PolarHBondContact N-O 3.19Å |
| 294 | T | 89.2 | Confident | 85.9 | Confident | 42 Ų | 42 | 43 Ų | 43 | 26% | 0.258 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 125 | 166.7 | -80.2 | 0 | 0 | 0 | 0 | 110 | V176 E261 K264 Q296 | V176-T294 WeakPolarHBondContact O-CA 3.15Å; E261-T294 WeakPolarHBondContact CG-OG1 3.39Å; K264-T294 PolarHBondContact NZ-OG1 3.01Å; T294-Q296 HydrophobicContact CG2-CG 3.98Å |
| 295 | L | 83.6 | Confident | 85.9 | Confident | 19 Ų | 19 | 36.2 Ų | 36.2 | 10% | 0.099 | 20% | 0.201 | C | C | . | . | trans | -88 | 128.3 | 170.2 | -134.4 | 152.1 | 0 | 0 | 0 | 109.1 | Y166 V176 C177 L191 I195 | Y166-L295 HydrophobicContact CD1-CD1 4.32Å; Y166-L295 HydrophobicContact CE1-CD1 3.32Å; V176-L295 PolarHBondContact O-N 2.91Å; C177-L295 HydrophobicContact CB-CB 4.21Å; C177-L295 PolarHBondContact SG-O 3.24Å; L191-L295 HydrophobicContact CD1-CD2 3.88Å; I195-L295 HydrophobicContact CD1-CD1 4.26Å; I195-L295 HydrophobicContact CG1-CD1 4.2Å | ||
| 296 | Q | 83.3 | Confident | 86 | Confident | 109 Ų | 109 | 35.9 Ų | 35.9 | 51% | 0.509 | 20% | 0.199 | S | C | . | . | trans | -111.3 | 123.3 | 179.8 | -66.3 | -177.5 | -17.8 | 0 | 0 | 109.8 | T294 G298 Q299 | T294-Q296 HydrophobicContact CG2-CG 3.98Å; Q296-G298 VanDerWaalsContact C-N 3.26Å; Q296-G298 PolarHBondContact O-N 3.38Å; Q296-Q299 HydrophobicContact CB-CG 3.86Å; Q296-Q299 PolarHBondContact O-N 3.36Å | ||
| 297 | L | 79.9 | Confident | 86.1 | Confident | 30 Ų | 30 | 35.5 Ų | 35.5 | 16% | 0.157 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -59.8 | -34.1 | -178.4 | -69.3 | 174.5 | 0 | 0 | 0 | 113.5 | F179 N187 L191 Q299 | F179-L297 HydrophobicContact CB-CD1 3.64Å; F179-L297 HydrophobicContact CD1-CD1 3.69Å; F179-L297 HydrophobicContact CD1-CG 4.23Å; F179-L297 HydrophobicContact CD2-CD1 3.68Å; F179-L297 HydrophobicContact CE1-CD1 4.23Å; F179-L297 HydrophobicContact CE2-CD1 4.22Å; F179-L297 HydrophobicContact CG-CD1 3.38Å; F179-L297 HydrophobicContact CG-CG 4.38Å; F179-L297 HydrophobicContact CZ-CD1 4.46Å; N187-L297 HydrophobicContact CB-CD1 4Å; L191-L297 HydrophobicContact CB-CD2 3.81Å; L191-L297 HydrophobicContact CD1-CD2 3.94Å; L191-L297 HydrophobicContact CD2-CD2 4.35Å; L191-L297 HydrophobicContact CG-CD2 4.24Å; L297-Q299 VanDerWaalsContact C-N 3.28Å; L297-Q299 PolarHBondContact O-N 3.38Å |
| 298 | G | 83.6 | Confident | 86.1 | Confident | 65 Ų | 65 | 33.8 Ų | 33.8 | 67% | 0.67 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -78.1 | -3.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q296 M352 | Q296-G298 VanDerWaalsContact C-N 3.26Å; Q296-G298 PolarHBondContact O-N 3.38Å; G298-M352 WeakPolarHBondContact O-CG 3.47Å |
| 299 | Q | 88.7 | Confident | 86.1 | Confident | 76 Ų | 76 | 34.2 Ų | 34.2 | 36% | 0.355 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -76.4 | -26.1 | 179.4 | -74.9 | 179.9 | 4.6 | 0 | 0 | 113 | Q296 L297 M352 | Q296-Q299 HydrophobicContact CB-CG 3.86Å; Q296-Q299 PolarHBondContact O-N 3.36Å; L297-Q299 VanDerWaalsContact C-N 3.28Å; L297-Q299 PolarHBondContact O-N 3.38Å; Q299-M352 WeakPolarHBondContact O-CB 3.45Å; Q299-M352 PolarHBondContact O-N 3.12Å; Q299-M352 VanDerWaalsContact O-N 3.16Å |
| 300 | Y | 92.9 | Very high | 86.2 | Confident | 50 Ų | 50 | 34 Ų | 34 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -127.5 | 153.9 | -174.5 | -54 | -65.5 | 0 | 0 | 0 | 111.4 | R302 Q349 P350 L351 | Y300-R302 PolarHBondContact O-N 3.43Å; Y300-Q349 HydrophobicContact CD1-CB 3.6Å; Y300-Q349 HydrophobicContact CD1-CG 4.45Å; Y300-Q349 WeakPolarHBondContact CD1-O 3.41Å; Y300-Q349 HydrophobicContact CD2-CB 4.22Å; Y300-Q349 HydrophobicContact CD2-CG 4.21Å; Y300-Q349 HydrophobicContact CE1-CB 3.78Å; Y300-Q349 HydrophobicContact CE2-CB 4.39Å; Y300-Q349 HydrophobicContact CE2-CG 4.34Å; Y300-Q349 HydrophobicContact CG-CB 3.83Å; Y300-Q349 HydrophobicContact CG-CG 4.26Å; Y300-P350 CarbonylContact C-O 3.59Å; Y300-P350 WeakPolarHBondContact CA-O 3.49Å; Y300-P350 WeakPolarHBondContact CB-O 3.28Å; Y300-L351 HydrophobicContact CD1-CD2 4.37Å; Y300-L351 HydrophobicContact CE1-CD2 4.01Å |
| 301 | M | 93.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -57 | 136.3 | 173.1 | -179.9 | -172.7 | -81.2 | 0 | 0 | 110.4 | Q194 L303 P350 M352 Q691 I706 V709 | Q194-M301 PolarHBondContact NE2-O 2.95Å; M301-L303 HydrophobicContact CG-CD2 4.26Å; M301-L303 HydrophobicContact SD-CD2 3.91Å; M301-P350 HydrophobicContact CB-CB 3.85Å; M301-P350 HydrophobicContact CB-CG 4.04Å; M301-P350 PolarHBondContact N-O 3.04Å; M301-P350 HydrophobicContact SD-CB 4.29Å; M301-P350 HydrophobicContact SD-CG 4.14Å; M301-M352 HydrophobicContact CB-SD 4.37Å; M301-Q691 HydrophobicContact CE-CB 4.26Å; M301-Q691 HydrophobicContact CE-CG 4.34Å; M301-I706 HydrophobicContact CE-CB 4.1Å; M301-I706 HydrophobicContact CE-CG2 4.49Å; M301-V709 HydrophobicContact CE-CG2 4Å; M301-V709 HydrophobicContact SD-CB 4.32Å; M301-V709 HydrophobicContact SD-CG2 3.59Å; M301-V709 VanDerWaalsContact SD-CG2 3.59Å | ||
| 302 | R | 91.6 | Very high | 86.2 | Confident | 41 Ų | 41 | 36.9 Ų | 36.9 | 16% | 0.155 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 131.1 | 174.7 | -60.9 | 178.9 | -70.8 | 154 | 3.8 | 110 | Y300 D707 S708 V709 S739 | Y300-R302 PolarHBondContact O-N 3.43Å; R302-D707 IonicContact CZ-OD2 3.88Å; R302-D707 PolarHBondContact N-O 3.31Å; R302-D707 IonicContact NH2-OD2 3.39Å; R302-D707 PolarHBondContact NH2-OD2 2.99Å; R302-S708 CarbonylContact O-C 3.26Å; R302-S708 WeakPolarHBondContact O-CA 3.45Å; R302-S708 VanDerWaalsContact O-CB 3.31Å; R302-S708 WeakPolarHBondContact O-CB 3.44Å; R302-V709 PolarHBondContact O-N 3.15Å; R302-S739 PolarHBondContact NH1-O 3.12Å; R302-S739 PolarHBondContact NH2-O 3.34Å |
| 303 | L | 89.8 | Confident | 86.2 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 135.9 | 178.4 | -62.3 | 175.1 | 0 | 0 | 0 | 108.6 | S190 V193 M301 V308 L313 L688 V709 | S190-L303 WeakPolarHBondContact CA-O 3.26Å; V193-L303 HydrophobicContact CG1-CB 4.11Å; M301-L303 HydrophobicContact CG-CD2 4.26Å; M301-L303 HydrophobicContact SD-CD2 3.91Å; L303-V308 HydrophobicContact CB-CG2 4.37Å; L303-L313 HydrophobicContact CD1-CD1 4Å; L303-L688 HydrophobicContact CD1-CD1 3.91Å; L303-L688 HydrophobicContact CD2-CD1 4.14Å; L303-V709 HydrophobicContact CD2-CB 3.79Å |
| 304 | D | 82.6 | Confident | 85.9 | Confident | 15 Ų | 15 | 35.7 Ų | 35.7 | 8% | 0.08 | 19% | 0.188 | C | C | . | . | trans | -88 | 162.5 | 168.8 | 60.8 | 10.2 | 0 | 0 | 0 | 110.9 | A306 A307 V308 L710 A711 | D304-A306 PolarHBondContact O-N 2.8Å; D304-A306 VanDerWaalsContact O-N 3.16Å; D304-A307 PolarHBondContact O-N 3.36Å; D304-A307 WeakPolarHBondContact OD1-CA 3.14Å; D304-A307 WeakPolarHBondContact OD1-CB 3.29Å; D304-A307 PolarHBondContact OD1-N 3.33Å; D304-V308 WeakPolarHBondContact O-CG2 3.37Å; D304-V308 PolarHBondContact O-N 3.15Å; D304-V308 VanDerWaalsContact O-N 3.14Å; D304-L710 HydrophobicContact CB-CD2 4.43Å; D304-A711 PolarHBondContact OD2-N 3.49Å | ||
| 305 | N | 81.3 | Confident | 84.8 | Confident | 18 Ų | 18 | 39 Ų | 39 | 10% | 0.096 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.6 | -26.9 | 177.9 | -78.2 | -53.5 | 0 | 0 | 0 | 112.3 | E189 V193 R309 | E189-N305 WeakPolarHBondContact CG-ND2 3.29Å; E189-N305 WeakPolarHBondContact OE1-CB 3.32Å; E189-N305 PolarHBondContact OE1-ND2 2.87Å; V193-N305 WeakPolarHBondContact CG2-OD1 3.47Å; N305-R309 WeakPolarHBondContact O-CG 3.3Å; N305-R309 PolarHBondContact O-N 3.5Å |
| 306 | A | 80.6 | Confident | 83.4 | Confident | 11 Ų | 11 | 42 Ų | 42 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.1 | -42.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D304 R309 A310 A711 | D304-A306 PolarHBondContact O-N 2.8Å; D304-A306 VanDerWaalsContact O-N 3.16Å; A306-R309 PolarHBondContact O-N 3.01Å; A306-A310 WeakPolarHBondContact O-CB 3.1Å; A306-A310 PolarHBondContact O-N 2.99Å; A306-A711 WeakPolarHBondContact CB-O 3.32Å |
| 307 | A | 84.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.2 | -43.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D304 R309 A310 L311 V709 A711 | D304-A307 PolarHBondContact O-N 3.36Å; D304-A307 WeakPolarHBondContact OD1-CA 3.14Å; D304-A307 WeakPolarHBondContact OD1-CB 3.29Å; D304-A307 PolarHBondContact OD1-N 3.33Å; A307-R309 VanDerWaalsContact C-N 3.26Å; A307-R309 PolarHBondContact O-N 2.97Å; A307-A310 PolarHBondContact O-N 3.5Å; A307-L311 VanDerWaalsContact O-CB 3.29Å; A307-L311 WeakPolarHBondContact O-CB 3.3Å; A307-L311 VanDerWaalsContact O-CG 3.27Å; A307-L311 WeakPolarHBondContact O-CG 3.47Å; A307-L311 PolarHBondContact O-N 3.49Å; A307-V709 WeakPolarHBondContact CB-O 3.5Å; A307-A711 HydrophobicContact CB-CB 3.8Å |
| 308 | V | 86.8 | Confident | 79.8 | Confident | 26 Ų | 26 | 43.4 Ų | 43.4 | 16% | 0.158 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.8 | -43.2 | 177.6 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | V193 L303 D304 N312 L313 F314 | V193-V308 HydrophobicContact CB-CG2 4.44Å; V193-V308 HydrophobicContact CG1-CG2 3.42Å; V193-V308 VanDerWaalsContact CG1-CG2 3.42Å; V193-V308 HydrophobicContact CG2-CG2 4.12Å; L303-V308 HydrophobicContact CB-CG2 4.37Å; D304-V308 WeakPolarHBondContact O-CG2 3.37Å; D304-V308 PolarHBondContact O-N 3.15Å; D304-V308 VanDerWaalsContact O-N 3.14Å; V308-N312 PolarHBondContact O-N 3.42Å; V308-L313 HydrophobicContact CB-CD1 4.43Å; V308-L313 HydrophobicContact CG1-CB 4.37Å; V308-L313 HydrophobicContact CG1-CD1 4.4Å; V308-L313 HydrophobicContact CG2-CD1 4.25Å; V308-L313 PolarHBondContact O-N 2.67Å; V308-F314 HydrophobicContact CG1-CD2 4.09Å |
| 309 | R | 83.3 | Confident | 77.6 | Confident | 111 Ų | 111 | 47.3 Ų | 47.3 | 42% | 0.419 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -74 | -44.8 | 176.2 | -66.3 | -172.3 | -135.2 | 117.9 | 4.1 | 112.1 | R220 N305 A306 A307 L311 N312 | R220-R309 PolarHBondContact O-NH2 3.47Å; N305-R309 WeakPolarHBondContact O-CG 3.3Å; N305-R309 PolarHBondContact O-N 3.5Å; A306-R309 PolarHBondContact O-N 3.01Å; A307-R309 VanDerWaalsContact C-N 3.26Å; A307-R309 PolarHBondContact O-N 2.97Å; R309-L311 VanDerWaalsContact C-N 3.32Å; R309-L311 PolarHBondContact O-N 2.93Å; R309-N312 PolarHBondContact O-N 3.38Å; R309-N312 VanDerWaalsContact O-N 3.1Å; R309-N312 PolarHBondContact O-OD1 3.4Å; R309-N312 VanDerWaalsContact O-OD1 3.11Å |
| 310 | A | 82.5 | Confident | 75.5 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 7% | 0.074 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.6 | -38.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A306 A307 N312 R681 A711 V713 | A306-A310 WeakPolarHBondContact O-CB 3.1Å; A306-A310 PolarHBondContact O-N 2.99Å; A307-A310 PolarHBondContact O-N 3.5Å; A310-N312 VanDerWaalsContact C-N 3.29Å; A310-R681 VanDerWaalsContact O-CD 3.27Å; A310-R681 WeakPolarHBondContact O-CD 3.41Å; A310-A711 HydrophobicContact CB-CB 4.01Å; A310-V713 HydrophobicContact CB-CB 3.75Å; A310-V713 HydrophobicContact CB-CG1 4.37Å; A310-V713 HydrophobicContact CB-CG2 3.56Å |
| 311 | L | 87.6 | Confident | 72.9 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 0.1 | 178.4 | -57.8 | 177.3 | 0 | 0 | 0 | 112.5 | A307 R309 L313 R681 L685 L688 V709 I747 | A307-L311 VanDerWaalsContact O-CB 3.29Å; A307-L311 WeakPolarHBondContact O-CB 3.3Å; A307-L311 VanDerWaalsContact O-CG 3.27Å; A307-L311 WeakPolarHBondContact O-CG 3.47Å; A307-L311 PolarHBondContact O-N 3.49Å; R309-L311 VanDerWaalsContact C-N 3.32Å; R309-L311 PolarHBondContact O-N 2.93Å; L311-L313 VanDerWaalsContact C-N 3.26Å; L311-L313 HydrophobicContact CB-CD2 3.73Å; L311-L313 HydrophobicContact CB-CG 4.05Å; L311-L313 HydrophobicContact CD1-CD2 4.4Å; L311-L313 PolarHBondContact O-N 3.31Å; L311-R681 HydrophobicContact CD2-CB 4.46Å; L311-L685 HydrophobicContact CB-CD2 3.94Å; L311-L685 HydrophobicContact CB-CG 4.2Å; L311-L685 HydrophobicContact CD2-CG 4.17Å; L311-L685 WeakPolarHBondContact O-CD2 3.17Å; L311-L688 HydrophobicContact CD1-CD1 4.37Å; L311-V709 HydrophobicContact CD1-CG1 4.13Å; L311-I747 HydrophobicContact CD2-CD1 4.36Å |
| 312 | N | 87.9 | Confident | 70.6 | Confident | 73 Ų | 73 | 53.8 Ų | 53.8 | 39% | 0.39 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48 | 47.2 | -177.1 | -71.9 | -30.9 | 0 | 0 | 0 | 112.5 | V308 R309 A310 F314 S326 L327 | V308-N312 PolarHBondContact O-N 3.42Å; R309-N312 PolarHBondContact O-N 3.38Å; R309-N312 VanDerWaalsContact O-N 3.1Å; R309-N312 PolarHBondContact O-OD1 3.4Å; R309-N312 VanDerWaalsContact O-OD1 3.11Å; A310-N312 VanDerWaalsContact C-N 3.29Å; N312-F314 VanDerWaalsContact C-N 3.3Å; N312-F314 PolarHBondContact O-N 3.01Å; N312-S326 WeakPolarHBondContact O-CA 3.23Å; N312-L327 PolarHBondContact O-N 3.48Å |
| 313 | L | 87.8 | Confident | 68.5 | Low | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -63.6 | -39.5 | -176.3 | -60.7 | -174.4 | 0 | 0 | 0 | 111.8 | L303 V308 L311 L327 A328 I347 L685 L688 | L303-L313 HydrophobicContact CD1-CD1 4Å; V308-L313 HydrophobicContact CB-CD1 4.43Å; V308-L313 HydrophobicContact CG1-CB 4.37Å; V308-L313 HydrophobicContact CG1-CD1 4.4Å; V308-L313 HydrophobicContact CG2-CD1 4.25Å; V308-L313 PolarHBondContact O-N 2.67Å; L311-L313 VanDerWaalsContact C-N 3.26Å; L311-L313 HydrophobicContact CB-CD2 3.73Å; L311-L313 HydrophobicContact CB-CG 4.05Å; L311-L313 HydrophobicContact CD1-CD2 4.4Å; L311-L313 PolarHBondContact O-N 3.31Å; L313-L327 HydrophobicContact CD2-CB 4.4Å; L313-L327 HydrophobicContact CD2-CD2 3.77Å; L313-A328 VanDerWaalsContact O-CB 3.25Å; L313-A328 WeakPolarHBondContact O-CB 3.37Å; L313-A328 PolarHBondContact O-N 3.13Å; L313-I347 HydrophobicContact CB-CG2 4.17Å; L313-I347 HydrophobicContact CD1-CG2 4.46Å; L313-I347 HydrophobicContact CD2-CG2 4.47Å; L313-L685 HydrophobicContact CD2-CD2 3.94Å; L313-L688 HydrophobicContact CD1-CD1 3.94Å; L313-L688 HydrophobicContact CD2-CD1 3.97Å; L313-L688 HydrophobicContact CD2-CD2 3.98Å | ||
| 314 | F | 83.6 | Confident | 66.8 | Low | 51 Ų | 51 | 55.3 Ų | 55.3 | 22% | 0.224 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -129.4 | 162.6 | 179.9 | -55.7 | -75.2 | 0 | 0 | 0 | 110.3 | V308 N312 G316 A328 N344 I347 K348 | V308-F314 HydrophobicContact CG1-CD2 4.09Å; N312-F314 VanDerWaalsContact C-N 3.3Å; N312-F314 PolarHBondContact O-N 3.01Å; F314-G316 PolarHBondContact O-N 2.94Å; F314-A328 HydrophobicContact CD1-CB 3.77Å; F314-A328 HydrophobicContact CE1-CB 3.99Å; F314-N344 HydrophobicContact CE1-CB 4.37Å; F314-I347 HydrophobicContact CE1-CB 4.37Å; F314-I347 HydrophobicContact CE1-CG2 4.16Å; F314-I347 HydrophobicContact CE2-CG2 4.16Å; F314-I347 HydrophobicContact CZ-CB 3.94Å; F314-I347 HydrophobicContact CZ-CG2 3.56Å; F314-K348 HydrophobicContact CE1-CG 4.46Å; F314-K348 HydrophobicContact CE2-CD 4.47Å; F314-K348 HydrophobicContact CE2-CG 3.71Å; F314-K348 HydrophobicContact CZ-CD 4.16Å; F314-K348 HydrophobicContact CZ-CG 3.41Å; F314-K348 VanDerWaalsContact CZ-CG 3.41Å |
| 315 | Q | 65 | Low | 66.4 | Low | 110 Ų | 110 | 58.9 Ų | 58.9 | 51% | 0.514 | 35% | 0.353 | S | S | . | . | trans | -60.5 | 128.8 | 180 | -67.1 | 173.4 | 5.4 | 0 | 0 | 111.1 | ||||
| 316 | G | 53.6 | Low | 66.7 | Low | 83 Ų | 83 | 58.2 Ų | 58.2 | 86% | 0.856 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -84.1 | -20.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | F314 | F314-G316 PolarHBondContact O-N 2.94Š|
| 317 | S | 46.4 | Very low | 67.2 | Low | 54 Ų | 54 | 57.7 Ų | 57.7 | 38% | 0.378 | 35% | 0.346 | S | S | . | . | trans | -145.5 | 143.6 | 178.7 | 85.4 | 0 | 0 | 0 | 0 | 112.3 | D319 D320 | S317-D319 PolarHBondContact O-N 3.05Å; S317-D320 PolarHBondContact O-N 3.35Å; S317-D320 PolarHBondContact OG-N 3.08Å | ||
| 318 | P | 42.3 | Very low | 67.4 | Low | 114 Ų | 114 | 58.1 Ų | 58.1 | 74% | 0.74 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -14 | 177.3 | 16.6 | -19.5 | 0 | 0 | 0 | 114.3 | ||
| 319 | D | 38.3 | Very low | 67.5 | Low | 147 Ų | 147 | 57.9 Ų | 57.9 | 79% | 0.786 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -14.7 | 176.3 | -79.8 | -24.9 | 0 | 0 | 0 | 113 | S317 T321 | S317-D319 PolarHBondContact O-N 3.05Å; D319-T321 PolarHBondContact O-N 3.18Å; D319-T321 PolarHBondContact O-OG1 2.99Å |
| 320 | D | 43.9 | Very low | 67.8 | Low | 66 Ų | 66 | 53.3 Ų | 53.3 | 35% | 0.353 | 34% | 0.336 | S | S | . | . | trans | -80.9 | 74.7 | 178.1 | -155.6 | 2.6 | 0 | 0 | 0 | 110 | S317 S322 | S317-D320 PolarHBondContact O-N 3.35Å; S317-D320 PolarHBondContact OG-N 3.08Å; D320-S322 PolarHBondContact O-N 3.45Å | ||
| 321 | T | 38.2 | Very low | 68.4 | Low | 139 Ų | 139 | 52.9 Ų | 52.9 | 85% | 0.853 | 33% | 0.332 | S | S | * | . | trans | -69.1 | -14.7 | -171.1 | 5.7 | 0 | 0 | 0 | 0 | 112.9 | D319 G323 | D319-T321 PolarHBondContact O-N 3.18Å; D319-T321 PolarHBondContact O-OG1 2.99Å; T321-G323 PolarHBondContact O-N 3.27Å | ||
| 322 | S | 44.7 | Very low | 68.6 | Low | 58 Ų | 58 | 54.3 Ų | 54.3 | 41% | 0.406 | 34% | 0.34 | S | S | . | . | trans | -93.7 | 88.7 | 171.8 | 89.6 | 0 | 0 | 0 | 0 | 108.6 | D320 A324 H325 | D320-S322 PolarHBondContact O-N 3.45Å; S322-A324 PolarHBondContact O-N 2.9Å; S322-H325 PolarHBondContact OG-CD2 2.89Å; S322-H325 PolarHBondContact OG-NE2 3.19Å | ||
| 323 | G | 48 | Very low | 68.8 | Low | 20 Ų | 20 | 54.7 Ų | 54.7 | 21% | 0.206 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -57.5 | -0.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | T321 H325 S326 G329 | T321-G323 PolarHBondContact O-N 3.27Å; G323-H325 PolarHBondContact O-N 2.78Å; G323-S326 PolarHBondContact O-N 3.42Å; G323-S326 PolarHBondContact O-OG 3.49Å; G323-G329 WeakPolarHBondContact O-CA 3.33Å |
| 324 | A | 54.3 | Low | 69.1 | Low | 54 Ų | 54 | 55 Ų | 55 | 45% | 0.446 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -61 | -20.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S322 | S322-A324 PolarHBondContact O-N 2.9Š|
| 325 | H | 73.8 | Confident | 69.6 | Low | 90 Ų | 90 | 58.2 Ų | 58.2 | 42% | 0.417 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -91.8 | -1.3 | -176.1 | -58.7 | -60.1 | 0 | 0 | 0 | 115 | S322 G323 | S322-H325 PolarHBondContact OG-CD2 2.89Å; S322-H325 PolarHBondContact OG-NE2 3.19Å; G323-H325 PolarHBondContact O-N 2.78Å |
| 326 | S | 88 | Confident | 70.9 | Confident | 5 Ų | 5 | 53 Ų | 53 | 4% | 0.035 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -107.3 | 152.2 | 178.7 | 67.3 | 0 | 0 | 0 | 0 | 112.6 | N312 G323 A328 G329 L330 | N312-S326 WeakPolarHBondContact O-CA 3.23Å; G323-S326 PolarHBondContact O-N 3.42Å; G323-S326 PolarHBondContact O-OG 3.49Å; S326-A328 VanDerWaalsContact C-N 3.28Å; S326-A328 PolarHBondContact O-N 3.47Å; S326-G329 PolarHBondContact O-N 3.26Å; S326-G329 PolarHBondContact OG-N 2.64Å; S326-G329 VanDerWaalsContact OG-N 3.11Å; S326-L330 PolarHBondContact O-N 3.09Å |
| 327 | L | 90.3 | Very high | 72.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 176.8 | -172.3 | 67.2 | 0 | 0 | 0 | 111.5 | N312 L313 L330 L331 I347 P641 L685 L688 M689 | N312-L327 PolarHBondContact O-N 3.48Å; L313-L327 HydrophobicContact CD2-CB 4.4Å; L313-L327 HydrophobicContact CD2-CD2 3.77Å; L327-L330 PolarHBondContact O-N 2.82Å; L327-L331 HydrophobicContact CD1-CD1 3.89Å; L327-L331 HydrophobicContact CD1-CG 4.1Å; L327-L331 HydrophobicContact CD2-CD1 4.34Å; L327-L331 HydrophobicContact CG-CD1 3.89Å; L327-L331 HydrophobicContact CG-CG 4.31Å; L327-L331 PolarHBondContact O-N 3.01Å; L327-I347 HydrophobicContact CD2-CG2 4.41Å; L327-P641 HydrophobicContact CD1-CG 4.22Å; L327-L685 HydrophobicContact CB-CD2 4.27Å; L327-L685 HydrophobicContact CD1-CD2 4.15Å; L327-L685 HydrophobicContact CD2-CD2 3.78Å; L327-L685 HydrophobicContact CG-CD2 4.28Å; L327-L688 HydrophobicContact CD2-CD2 3.52Å; L327-M689 HydrophobicContact CD1-CG 4.03Å; L327-M689 HydrophobicContact CD1-SD 3.81Å; L327-M689 HydrophobicContact CD2-CG 4.3Å |
| 328 | A | 90.3 | Very high | 74.4 | Confident | 8 Ų | 8 | 48.4 Ų | 48.4 | 7% | 0.066 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L313 F314 S326 L330 L331 N332 I347 | L313-A328 VanDerWaalsContact O-CB 3.25Å; L313-A328 WeakPolarHBondContact O-CB 3.37Å; L313-A328 PolarHBondContact O-N 3.13Å; F314-A328 HydrophobicContact CD1-CB 3.77Å; F314-A328 HydrophobicContact CE1-CB 3.99Å; S326-A328 VanDerWaalsContact C-N 3.28Å; S326-A328 PolarHBondContact O-N 3.47Å; A328-L330 VanDerWaalsContact C-N 3.27Å; A328-L330 PolarHBondContact O-N 2.92Å; A328-L331 PolarHBondContact O-N 3.48Å; A328-N332 WeakPolarHBondContact O-CA 3.3Å; A328-N332 WeakPolarHBondContact O-CB 2.9Å; A328-N332 PolarHBondContact O-N 3.08Å; A328-I347 HydrophobicContact CB-CD1 3.85Å |
| 329 | G | 87.8 | Confident | 76.7 | Confident | 21 Ų | 21 | 43 Ų | 43 | 22% | 0.216 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.4 | -24.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G323 S326 K333 | G323-G329 WeakPolarHBondContact O-CA 3.33Å; S326-G329 PolarHBondContact O-N 3.26Å; S326-G329 PolarHBondContact OG-N 2.64Å; S326-G329 VanDerWaalsContact OG-N 3.11Å; G329-K333 PolarHBondContact O-NZ 2.96Å |
| 330 | L | 90.7 | Very high | 79.2 | Confident | 16 Ų | 16 | 39.4 Ų | 39.4 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72 | -54.1 | 172.7 | -178.5 | 69.9 | 0 | 0 | 0 | 111.7 | S326 L327 A328 K333 P641 T645 | S326-L330 PolarHBondContact O-N 3.09Å; L327-L330 PolarHBondContact O-N 2.82Å; A328-L330 VanDerWaalsContact C-N 3.27Å; A328-L330 PolarHBondContact O-N 2.92Å; L330-K333 WeakPolarHBondContact O-CE 3.45Å; L330-P641 HydrophobicContact CD2-CB 3.57Å; L330-P641 WeakPolarHBondContact CD2-O 3.29Å; L330-T645 HydrophobicContact CD1-CG2 3.71Å |
| 331 | L | 93.1 | Very high | 81.2 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -81.6 | -25.3 | -173 | -62.1 | -177.6 | 0 | 0 | 0 | 113.8 | L327 A328 K333 S608 F609 A612 M689 | L327-L331 HydrophobicContact CD1-CD1 3.89Å; L327-L331 HydrophobicContact CD1-CG 4.1Å; L327-L331 HydrophobicContact CD2-CD1 4.34Å; L327-L331 HydrophobicContact CG-CD1 3.89Å; L327-L331 HydrophobicContact CG-CG 4.31Å; L327-L331 PolarHBondContact O-N 3.01Å; A328-L331 PolarHBondContact O-N 3.48Å; L331-K333 PolarHBondContact O-N 3.29Å; L331-K333 VanDerWaalsContact O-N 3.14Å; L331-S608 PolarHBondContact O-OG 3.04Å; L331-F609 HydrophobicContact CB-CD1 4.27Å; L331-F609 HydrophobicContact CB-CE1 4.04Å; L331-F609 HydrophobicContact CD1-CE1 4.35Å; L331-A612 HydrophobicContact CD2-CB 4.15Å; L331-M689 HydrophobicContact CD1-CG 4.32Å; L331-M689 HydrophobicContact CD2-CE 4.06Å |
| 332 | N | 92.3 | Very high | 83.8 | Confident | 31 Ų | 31 | 33.8 Ų | 33.8 | 17% | 0.166 | 18% | 0.183 | C | C | . | . | trans | -86 | 82.9 | -177.2 | -163.2 | -13.8 | 0 | 0 | 0 | 111.2 | A328 C334 Q340 V343 N344 | A328-N332 WeakPolarHBondContact O-CA 3.3Å; A328-N332 WeakPolarHBondContact O-CB 2.9Å; A328-N332 PolarHBondContact O-N 3.08Å; N332-C334 WeakPolarHBondContact OD1-CB 3.47Å; N332-Q340 PolarHBondContact ND2-O 3.5Å; N332-Q340 WeakPolarHBondContact OD1-CA 3.48Å; N332-Q340 WeakPolarHBondContact OD1-CG 3.22Å; N332-V343 HydrophobicContact CB-CG1 3.93Å; N332-N344 PolarHBondContact ND2-OD1 2.83Å | ||
| 333 | K | 92.6 | Very high | 86.1 | Confident | 81 Ų | 81 | 31 Ų | 31 | 35% | 0.352 | 16% | 0.164 | S | C | . | . | trans | -105.6 | 22 | 171.2 | -54.2 | -52.9 | -173 | -155.1 | 0 | 112 | G329 L330 L331 Q378 S608 | G329-K333 PolarHBondContact O-NZ 2.96Å; L330-K333 WeakPolarHBondContact O-CE 3.45Å; L331-K333 PolarHBondContact O-N 3.29Å; L331-K333 VanDerWaalsContact O-N 3.14Å; K333-Q378 PolarHBondContact O-NE2 2.94Å; K333-S608 WeakPolarHBondContact CA-OG 3.37Å; K333-S608 PolarHBondContact N-OG 3.32Å | ||
| 334 | C | 93.8 | Very high | 88.1 | Confident | 7 Ų | 7 | 31.5 Ų | 31.5 | 5% | 0.047 | 16% | 0.162 | C | C | . | . | trans | -61.7 | 143.6 | 178.2 | -73 | 0 | 0 | 0 | 0 | 111.5 | N332 Q340 V343 D604 S608 | N332-C334 WeakPolarHBondContact OD1-CB 3.47Å; C334-Q340 HydrophobicContact CB-CB 4.38Å; C334-Q340 HydrophobicContact CB-CG 3.62Å; C334-Q340 PolarHBondContact O-NE2 3.1Å; C334-V343 WeakPolarHBondContact SG-CG2 3.48Å; C334-D604 VanDerWaalsContact CA-OD1 3.32Å; C334-D604 WeakPolarHBondContact CA-OD1 3.16Å; C334-D604 VanDerWaalsContact CB-OD2 3.31Å; C334-D604 WeakPolarHBondContact CB-OD2 3.48Å; C334-S608 PolarHBondContact N-OG 3Å; C334-S608 VanDerWaalsContact SG-CB 3.52Å | ||
| 335 | R | 93.9 | Very high | 89.8 | Confident | 119 Ų | 119 | 31.6 Ų | 31.6 | 45% | 0.449 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -94.9 | -17.2 | -178.8 | -63.1 | -65.3 | -169 | -157.7 | -3.7 | 113.3 | Q378 L382 R383 D604 | R335-Q378 HydrophobicContact CG-CG 3.89Å; R335-Q378 VanDerWaalsContact CG-O 3.32Å; R335-Q378 WeakPolarHBondContact CG-O 3.27Å; R335-Q378 PolarHBondContact NE-O 3.39Å; R335-L382 HydrophobicContact CB-CB 4.04Å; R335-R383 HydrophobicContact CB-CB 4.49Å; R335-D604 PolarHBondContact N-OD1 3.11Å; R335-D604 PolarHBondContact N-OD2 3.35Å |
| 336 | T | 91.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -111.7 | 146.8 | 179.3 | 71.3 | 0 | 0 | 0 | 0 | 111.2 | Q338 G339 Q340 L382 F385 I600 D604 | T336-Q338 VanDerWaalsContact C-N 3.28Å; T336-Q338 PolarHBondContact O-N 3.08Å; T336-G339 PolarHBondContact O-N 3.28Å; T336-G339 PolarHBondContact OG1-N 3.08Å; T336-G339 VanDerWaalsContact OG1-N 3.09Å; T336-Q340 WeakPolarHBondContact O-CG 3.25Å; T336-Q340 PolarHBondContact O-N 3.06Å; T336-L382 HydrophobicContact CG2-CB 4.48Å; T336-L382 VanDerWaalsContact CG2-O 3.22Å; T336-L382 WeakPolarHBondContact CG2-O 3.42Å; T336-F385 HydrophobicContact CG2-CB 4.13Å; T336-I600 HydrophobicContact CG2-CG2 4.09Å; T336-D604 WeakPolarHBondContact CA-OD2 3.39Å; T336-D604 WeakPolarHBondContact CB-OD2 3.32Å; T336-D604 PolarHBondContact N-OD2 2.91Å; T336-D604 PolarHBondContact OG1-OD2 3.25Å |
| 337 | P | 87.3 | Confident | 91 | Very high | 34 Ų | 34 | 28.1 Ų | 28.1 | 22% | 0.221 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.2 | -35.9 | 175.1 | -27.1 | 37.7 | 0 | 0 | 0 | 113.5 | Q340 R341 D387 | P337-Q340 PolarHBondContact O-N 2.96Å; P337-R341 WeakPolarHBondContact O-CG 3.29Å; P337-R341 PolarHBondContact O-N 3.5Å; P337-D387 HydrophobicContact CB-CB 4.24Å; P337-D387 WeakPolarHBondContact CB-OD2 3.31Å; P337-D387 HydrophobicContact CG-CB 4.1Å |
| 338 | Q | 86.8 | Confident | 91 | Very high | 7 Ų | 7 | 30 Ų | 30 | 3% | 0.033 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.8 | -41.4 | 176.4 | 59.3 | -87 | 19.3 | 0 | 0 | 112.4 | T336 R341 L342 P386 A601 | T336-Q338 VanDerWaalsContact C-N 3.28Å; T336-Q338 PolarHBondContact O-N 3.08Å; Q338-R341 PolarHBondContact O-N 2.91Å; Q338-L342 PolarHBondContact O-N 3.49Å; Q338-P386 PolarHBondContact NE2-O 2.84Å; Q338-P386 PolarHBondContact OE1-O 3.41Å; Q338-A601 HydrophobicContact CB-CB 3.93Å; Q338-A601 HydrophobicContact CG-CB 3.89Å |
| 339 | G | 92 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T336 R341 L342 V343 | T336-G339 PolarHBondContact O-N 3.28Å; T336-G339 PolarHBondContact OG1-N 3.08Å; T336-G339 VanDerWaalsContact OG1-N 3.09Å; G339-R341 VanDerWaalsContact C-N 3.31Å; G339-R341 PolarHBondContact O-N 3.01Å; G339-L342 PolarHBondContact O-N 2.83Å; G339-L342 VanDerWaalsContact O-N 3.12Å; G339-V343 PolarHBondContact O-N 3.42Å |
| 340 | Q | 90.1 | Very high | 91.4 | Very high | 71 Ų | 71 | 29.6 Ų | 29.6 | 33% | 0.332 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -58.9 | -41.9 | 177.6 | -70 | 172.6 | 3 | 0 | 0 | 112.4 | N332 C334 T336 P337 N344 | N332-Q340 PolarHBondContact ND2-O 3.5Å; N332-Q340 WeakPolarHBondContact OD1-CA 3.48Å; N332-Q340 WeakPolarHBondContact OD1-CG 3.22Å; C334-Q340 HydrophobicContact CB-CB 4.38Å; C334-Q340 HydrophobicContact CB-CG 3.62Å; C334-Q340 PolarHBondContact O-NE2 3.1Å; T336-Q340 WeakPolarHBondContact O-CG 3.25Å; T336-Q340 PolarHBondContact O-N 3.06Å; P337-Q340 PolarHBondContact O-N 2.96Å; Q340-N344 PolarHBondContact O-N 3.03Å; Q340-N344 PolarHBondContact O-ND2 3.39Å |
| 341 | R | 86.6 | Confident | 91.7 | Very high | 55 Ų | 55 | 29.4 Ų | 29.4 | 21% | 0.208 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.6 | -42.3 | 175.4 | -71.6 | -175.7 | -65.7 | -102.2 | 6.3 | 111.5 | P337 Q338 G339 N344 Q345 D387 | P337-R341 WeakPolarHBondContact O-CG 3.29Å; P337-R341 PolarHBondContact O-N 3.5Å; Q338-R341 PolarHBondContact O-N 2.91Å; G339-R341 VanDerWaalsContact C-N 3.31Å; G339-R341 PolarHBondContact O-N 3.01Å; R341-N344 PolarHBondContact O-N 2.99Å; R341-Q345 PolarHBondContact O-N 3.17Å; R341-D387 IonicContact CZ-OD1 3.25Å; R341-D387 IonicContact CZ-OD2 2.9Å; R341-D387 IonicContact NH1-OD1 3.03Å; R341-D387 IonicContact NH1-OD2 3.57Å; R341-D387 PolarHBondContact NH1-OD2 3.2Å; R341-D387 VanDerWaalsContact NH2-CG 3.33Å; R341-D387 IonicContact NH2-OD1 2.76Å; R341-D387 PolarHBondContact NH2-OD1 3.14Å; R341-D387 IonicContact NH2-OD2 2.68Å; R341-D387 PolarHBondContact NH2-OD2 3.39Å |
| 342 | L | 91.2 | Very high | 91.7 | Very high | 32 Ų | 32 | 31.8 Ų | 31.8 | 17% | 0.168 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.4 | -43.1 | -178.8 | -173.7 | 64 | 0 | 0 | 0 | 112.6 | Q338 G339 N344 Q345 W346 A601 Q602 A605 | Q338-L342 PolarHBondContact O-N 3.49Å; G339-L342 PolarHBondContact O-N 2.83Å; G339-L342 VanDerWaalsContact O-N 3.12Å; L342-N344 VanDerWaalsContact C-N 3.34Å; L342-N344 PolarHBondContact O-N 3.49Å; L342-Q345 CarbonylContact O-C 3.54Å; L342-Q345 WeakPolarHBondContact O-CA 3.44Å; L342-Q345 WeakPolarHBondContact O-CB 3.48Å; L342-Q345 PolarHBondContact O-N 2.8Å; L342-Q345 VanDerWaalsContact O-N 3.12Å; L342-W346 HydrophobicContact CD2-CH2 4.38Å; L342-W346 HydrophobicContact CD2-CZ2 3.73Å; L342-W346 HydrophobicContact CG-CD2 4.35Å; L342-W346 HydrophobicContact CG-CZ2 4.06Å; L342-W346 PolarHBondContact O-N 3.12Å; L342-A601 HydrophobicContact CB-CB 4.22Å; L342-A601 VanDerWaalsContact CD2-C 3.47Å; L342-A601 HydrophobicContact CD2-CB 3.84Å; L342-Q602 HydrophobicContact CD2-CB 4.25Å; L342-A605 HydrophobicContact CD2-CB 4.18Å |
| 343 | V | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.7 | -45.2 | 175.9 | 168.9 | 0 | 0 | 0 | 0 | 111 | N332 C334 G339 Q345 W346 I347 A605 F609 | N332-V343 HydrophobicContact CB-CG1 3.93Å; C334-V343 WeakPolarHBondContact SG-CG2 3.48Å; G339-V343 PolarHBondContact O-N 3.42Å; V343-Q345 PolarHBondContact O-N 3.27Å; V343-W346 PolarHBondContact O-N 2.65Å; V343-I347 HydrophobicContact CG1-CD1 4.11Å; V343-I347 WeakPolarHBondContact O-CG1 2.98Å; V343-I347 PolarHBondContact O-N 3.43Å; V343-A605 HydrophobicContact CG2-CB 3.6Å; V343-F609 HydrophobicContact CG1-CE1 3.91Å; V343-F609 HydrophobicContact CG1-CZ 4.44Å; V343-F609 HydrophobicContact CG2-CE1 4.26Å |
| 344 | N | 90.3 | Very high | 91.8 | Very high | 30 Ų | 30 | 33.7 Ų | 33.7 | 16% | 0.16 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.7 | -34.3 | 176.5 | -70.7 | -13.7 | 0 | 0 | 0 | 111.8 | F314 N332 Q340 R341 L342 K348 | F314-N344 HydrophobicContact CE1-CB 4.37Å; N332-N344 PolarHBondContact ND2-OD1 2.83Å; Q340-N344 PolarHBondContact O-N 3.03Å; Q340-N344 PolarHBondContact O-ND2 3.39Å; R341-N344 PolarHBondContact O-N 2.99Å; L342-N344 VanDerWaalsContact C-N 3.34Å; L342-N344 PolarHBondContact O-N 3.49Å; N344-K348 WeakPolarHBondContact O-CG 3.39Å; N344-K348 PolarHBondContact O-N 2.78Å |
| 345 | Q | 89.5 | Confident | 91.8 | Very high | 57 Ų | 57 | 37.5 Ų | 37.5 | 27% | 0.266 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.5 | -46.6 | 172.7 | -179.2 | -178.1 | -14.3 | 0 | 0 | 111.6 | R341 L342 V343 I347 K348 Q349 | R341-Q345 PolarHBondContact O-N 3.17Å; L342-Q345 CarbonylContact O-C 3.54Å; L342-Q345 WeakPolarHBondContact O-CA 3.44Å; L342-Q345 WeakPolarHBondContact O-CB 3.48Å; L342-Q345 PolarHBondContact O-N 2.8Å; L342-Q345 VanDerWaalsContact O-N 3.12Å; V343-Q345 PolarHBondContact O-N 3.27Å; Q345-I347 VanDerWaalsContact C-N 3.27Å; Q345-I347 PolarHBondContact O-N 3.5Å; Q345-K348 PolarHBondContact O-N 2.93Å; Q345-Q349 VanDerWaalsContact NE2-OE1 3.11Å; Q345-Q349 WeakPolarHBondContact O-CB 3.33Å; Q345-Q349 PolarHBondContact O-N 3.22Å |
| 346 | W | 94.3 | Very high | 91.8 | Very high | 21 Ų | 21 | 36.5 Ų | 36.5 | 8% | 0.08 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.7 | -35.2 | 179 | -72.3 | -1.2 | 0 | 0 | 0 | 112.6 | L342 V343 K348 Q349 R360 Q602 A605 V606 F609 I692 | L342-W346 HydrophobicContact CD2-CH2 4.38Å; L342-W346 HydrophobicContact CD2-CZ2 3.73Å; L342-W346 HydrophobicContact CG-CD2 4.35Å; L342-W346 HydrophobicContact CG-CZ2 4.06Å; L342-W346 PolarHBondContact O-N 3.12Å; V343-W346 PolarHBondContact O-N 2.65Å; W346-K348 VanDerWaalsContact C-N 3.3Å; W346-K348 PolarHBondContact O-N 3.03Å; W346-Q349 CarbonylContact O-C 3.57Å; W346-Q349 PolarHBondContact O-N 3.22Å; W346-Q349 VanDerWaalsContact O-N 3.17Å; W346-R360 HydrophobicContact CH2-CG 4.39Å; W346-R360 HydrophobicContact CZ3-CG 4.26Å; W346-Q602 HydrophobicContact CH2-CG 4.26Å; W346-Q602 HydrophobicContact CZ2-CG 4.33Å; W346-A605 HydrophobicContact CE3-CB 4.12Å; W346-A605 HydrophobicContact CH2-CB 3.74Å; W346-A605 HydrophobicContact CZ2-CB 4.47Å; W346-A605 HydrophobicContact CZ3-CB 3.53Å; W346-V606 HydrophobicContact CH2-CG1 4.18Å; W346-V606 HydrophobicContact CZ3-CG1 4.37Å; W346-F609 AromaticContact CE3-CE2 3.56Å; W346-F609 HydrophobicContact CE3-CE2 3.56Å; W346-F609 AromaticContact CE3-CZ 3.79Å; W346-F609 HydrophobicContact CE3-CZ 3.79Å; W346-F609 HydrophobicContact CZ3-CD2 4.4Å; W346-F609 AromaticContact CZ3-CE2 3.79Å; W346-F609 HydrophobicContact CZ3-CE2 3.79Å; W346-F609 HydrophobicContact CZ3-CZ 4.36Å; W346-I692 HydrophobicContact CB-CG2 4.39Å |
| 347 | I | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.4 | -36.3 | 174.7 | -66.4 | 166 | 0 | 0 | 0 | 112 | L313 F314 L327 A328 V343 Q345 Q349 I692 | L313-I347 HydrophobicContact CB-CG2 4.17Å; L313-I347 HydrophobicContact CD1-CG2 4.46Å; L313-I347 HydrophobicContact CD2-CG2 4.47Å; F314-I347 HydrophobicContact CE1-CB 4.37Å; F314-I347 HydrophobicContact CE1-CG2 4.16Å; F314-I347 HydrophobicContact CE2-CG2 4.16Å; F314-I347 HydrophobicContact CZ-CB 3.94Å; F314-I347 HydrophobicContact CZ-CG2 3.56Å; L327-I347 HydrophobicContact CD2-CG2 4.41Å; A328-I347 HydrophobicContact CB-CD1 3.85Å; V343-I347 HydrophobicContact CG1-CD1 4.11Å; V343-I347 WeakPolarHBondContact O-CG1 2.98Å; V343-I347 PolarHBondContact O-N 3.43Å; Q345-I347 VanDerWaalsContact C-N 3.27Å; Q345-I347 PolarHBondContact O-N 3.5Å; I347-Q349 VanDerWaalsContact C-N 3.32Å; I347-I692 HydrophobicContact CB-CD1 4.2Å; I347-I692 HydrophobicContact CG1-CD1 3.81Å |
| 348 | K | 89.9 | Confident | 92.5 | Very high | 39 Ų | 39 | 36.8 Ų | 36.8 | 17% | 0.17 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -77 | -21.6 | 176.4 | -58.9 | 174.2 | -165.3 | -174.6 | 0 | 112.6 | S196 F314 N344 Q345 W346 P350 | S196-K348 VanDerWaalsContact CB-NZ 3.26Å; S196-K348 PolarHBondContact OG-NZ 2.83Å; F314-K348 HydrophobicContact CE1-CG 4.46Å; F314-K348 HydrophobicContact CE2-CD 4.47Å; F314-K348 HydrophobicContact CE2-CG 3.71Å; F314-K348 HydrophobicContact CZ-CD 4.16Å; F314-K348 HydrophobicContact CZ-CG 3.41Å; F314-K348 VanDerWaalsContact CZ-CG 3.41Å; N344-K348 WeakPolarHBondContact O-CG 3.39Å; N344-K348 PolarHBondContact O-N 2.78Å; Q345-K348 PolarHBondContact O-N 2.93Å; W346-K348 VanDerWaalsContact C-N 3.3Å; W346-K348 PolarHBondContact O-N 3.03Å; K348-P350 VanDerWaalsContact C-CD 3.43Å |
| 349 | Q | 92.2 | Very high | 92.9 | Very high | 22 Ų | 22 | 40.1 Ų | 40.1 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -126.6 | 61.5 | -171.9 | -64.9 | 175.9 | 1.1 | 0 | 0 | 111.3 | Q194 Y300 Q345 W346 I347 L351 | Q194-Q349 HydrophobicContact CB-CG 4.35Å; Q194-Q349 PolarHBondContact O-NE2 3.26Å; Y300-Q349 HydrophobicContact CD1-CB 3.6Å; Y300-Q349 HydrophobicContact CD1-CG 4.45Å; Y300-Q349 WeakPolarHBondContact CD1-O 3.41Å; Y300-Q349 HydrophobicContact CD2-CB 4.22Å; Y300-Q349 HydrophobicContact CD2-CG 4.21Å; Y300-Q349 HydrophobicContact CE1-CB 3.78Å; Y300-Q349 HydrophobicContact CE2-CB 4.39Å; Y300-Q349 HydrophobicContact CE2-CG 4.34Å; Y300-Q349 HydrophobicContact CG-CB 3.83Å; Y300-Q349 HydrophobicContact CG-CG 4.26Å; Q345-Q349 VanDerWaalsContact NE2-OE1 3.11Å; Q345-Q349 WeakPolarHBondContact O-CB 3.33Å; Q345-Q349 PolarHBondContact O-N 3.22Å; W346-Q349 CarbonylContact O-C 3.57Å; W346-Q349 PolarHBondContact O-N 3.22Å; W346-Q349 VanDerWaalsContact O-N 3.17Å; I347-Q349 VanDerWaalsContact C-N 3.32Å; Q349-L351 PolarHBondContact O-N 2.98Å |
| 350 | P | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -60.5 | 137.9 | 173.6 | -17.3 | 30.5 | 0 | 0 | 0 | 110.1 | Y300 M301 K348 L688 Q691 I692 | Y300-P350 CarbonylContact C-O 3.59Å; Y300-P350 WeakPolarHBondContact CA-O 3.49Å; Y300-P350 WeakPolarHBondContact CB-O 3.28Å; M301-P350 HydrophobicContact CB-CB 3.85Å; M301-P350 HydrophobicContact CB-CG 4.04Å; M301-P350 PolarHBondContact N-O 3.04Å; M301-P350 HydrophobicContact SD-CB 4.29Å; M301-P350 HydrophobicContact SD-CG 4.14Å; K348-P350 VanDerWaalsContact C-CD 3.43Å; P350-L688 HydrophobicContact CG-CD1 4.22Å; P350-L688 HydrophobicContact CG-CG 4Å; P350-Q691 HydrophobicContact CB-CB 3.92Å; P350-I692 HydrophobicContact CB-CG1 4.34Å; P350-I692 HydrophobicContact CG-CG1 4.37Å | ||
| 351 | L | 95.4 | Very high | 93.6 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 6% | 0.063 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -75.3 | 149.4 | -172.1 | -63.4 | 170.5 | 0 | 0 | 0 | 111.8 | Y300 Q349 K356 I357 Q691 | Y300-L351 HydrophobicContact CD1-CD2 4.37Å; Y300-L351 HydrophobicContact CE1-CD2 4.01Å; Q349-L351 PolarHBondContact O-N 2.98Å; L351-K356 HydrophobicContact CD1-CB 3.78Å; L351-I357 HydrophobicContact CB-CD1 4.2Å; L351-I357 HydrophobicContact CB-CG1 3.6Å; L351-I357 HydrophobicContact CD1-CG1 4.02Å; L351-I357 HydrophobicContact CG-CG1 4.46Å; L351-Q691 PolarHBondContact N-O 3.25Å; L351-Q691 PolarHBondContact O-NE2 3.26Å |
| 352 | M | 93.5 | Very high | 94.1 | Very high | 49 Ų | 49 | 37.5 Ų | 37.5 | 24% | 0.241 | 18% | 0.18 | C | C | . | . | trans | -100.6 | -22.6 | 171.2 | -68.6 | -58.1 | -59.3 | 0 | 0 | 113.4 | G298 Q299 M301 V705 I706 D707 | G298-M352 WeakPolarHBondContact O-CG 3.47Å; Q299-M352 WeakPolarHBondContact O-CB 3.45Å; Q299-M352 PolarHBondContact O-N 3.12Å; Q299-M352 VanDerWaalsContact O-N 3.16Å; M301-M352 HydrophobicContact CB-SD 4.37Å; M352-V705 HydrophobicContact CE-CG1 3.63Å; M352-V705 HydrophobicContact SD-CG1 4.08Å; M352-I706 VanDerWaalsContact SD-O 3.35Å; M352-D707 HydrophobicContact CE-CB 3.85Å | ||
| 353 | E | 92.9 | Very high | 94.3 | Very high | 93 Ų | 93 | 36 Ų | 36 | 44% | 0.435 | 17% | 0.172 | S | C | . | . | trans | -87.2 | 117.2 | -175.3 | -161 | -174.2 | 161.5 | 0 | 0 | 110.8 | T355 K356 I357 | E353-T355 VanDerWaalsContact C-N 3.32Å; E353-T355 VanDerWaalsContact CD-OG1 3.31Å; E353-T355 WeakPolarHBondContact CG-OG1 3.36Å; E353-T355 PolarHBondContact O-N 3.44Å; E353-T355 PolarHBondContact OE1-OG1 3.03Å; E353-K356 HydrophobicContact CB-CB 4.43Å; E353-K356 HydrophobicContact CB-CD 4.25Å; E353-K356 HydrophobicContact CB-CG 4.36Å; E353-K356 PolarHBondContact O-N 3.48Å; E353-K356 VanDerWaalsContact OE2-CD 3.29Å; E353-K356 WeakPolarHBondContact OE2-CD 3.23Å; E353-K356 WeakPolarHBondContact OE2-CE 3.46Å; E353-K356 IonicContact OE2-NZ 2.82Å; E353-K356 PolarHBondContact OE2-NZ 3.41Å; E353-I357 WeakPolarHBondContact O-CG1 3.43Å; E353-I357 PolarHBondContact O-N 3.17Å | ||
| 354 | K | 93.4 | Very high | 94.5 | Very high | 59 Ų | 59 | 36 Ų | 36 | 26% | 0.257 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -54.4 | -45.3 | -177.5 | 175.6 | 174.5 | 172.8 | 170.8 | 0 | 112.8 | K356 I357 E358 L625 D627 | K354-K356 VanDerWaalsContact C-N 3.33Å; K354-K356 PolarHBondContact O-N 3.49Å; K354-I357 PolarHBondContact O-N 3.07Å; K354-I357 VanDerWaalsContact O-N 3.14Å; K354-E358 HydrophobicContact CG-CG 4.09Å; K354-E358 WeakPolarHBondContact O-CG 3.42Å; K354-E358 PolarHBondContact O-N 3.24Å; K354-L625 HydrophobicContact CD-CB 4.28Å; K354-L625 HydrophobicContact CG-CB 4.26Å; K354-L625 HydrophobicContact CG-CD1 4.09Å; K354-L625 PolarHBondContact NZ-O 3.14Å; K354-D627 IonicContact NZ-OD1 2.87Å; K354-D627 PolarHBondContact NZ-OD1 2.71Å; K354-D627 IonicContact NZ-OD2 3.7Å; K354-D627 PolarHBondContact NZ-OD2 3.2Å |
| 355 | T | 94.3 | Very high | 94.8 | Very high | 88 Ų | 88 | 36.7 Ų | 36.7 | 54% | 0.54 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -55.8 | -46.1 | -178.9 | 49.3 | 0 | 0 | 0 | 0 | 111.9 | E353 E358 E359 | E353-T355 VanDerWaalsContact C-N 3.32Å; E353-T355 VanDerWaalsContact CD-OG1 3.31Å; E353-T355 WeakPolarHBondContact CG-OG1 3.36Å; E353-T355 PolarHBondContact O-N 3.44Å; E353-T355 PolarHBondContact OE1-OG1 3.03Å; T355-E358 PolarHBondContact O-N 2.66Å; T355-E359 WeakPolarHBondContact O-CB 3.35Å; T355-E359 PolarHBondContact O-N 2.88Å |
| 356 | K | 95.3 | Very high | 95.1 | Very high | 98 Ų | 98 | 34 Ų | 34 | 43% | 0.426 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -69 | -33.2 | 178.4 | -68.6 | -179.2 | 175 | 143.2 | 0 | 112.9 | L351 E353 K354 R360 | L351-K356 HydrophobicContact CD1-CB 3.78Å; E353-K356 HydrophobicContact CB-CB 4.43Å; E353-K356 HydrophobicContact CB-CD 4.25Å; E353-K356 HydrophobicContact CB-CG 4.36Å; E353-K356 PolarHBondContact O-N 3.48Å; E353-K356 VanDerWaalsContact OE2-CD 3.29Å; E353-K356 WeakPolarHBondContact OE2-CD 3.23Å; E353-K356 WeakPolarHBondContact OE2-CE 3.46Å; E353-K356 IonicContact OE2-NZ 2.82Å; E353-K356 PolarHBondContact OE2-NZ 3.41Å; K354-K356 VanDerWaalsContact C-N 3.33Å; K354-K356 PolarHBondContact O-N 3.49Å; K356-R360 WeakPolarHBondContact O-CB 3.31Å; K356-R360 PolarHBondContact O-N 3.35Å; K356-R360 VanDerWaalsContact O-N 3.15Å |
| 357 | I | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68 | -48.7 | 175.2 | -59.7 | 161.4 | 0 | 0 | 0 | 109.8 | L351 E353 K354 E359 R360 L361 L625 A690 Q691 | L351-I357 HydrophobicContact CB-CD1 4.2Å; L351-I357 HydrophobicContact CB-CG1 3.6Å; L351-I357 HydrophobicContact CD1-CG1 4.02Å; L351-I357 HydrophobicContact CG-CG1 4.46Å; E353-I357 WeakPolarHBondContact O-CG1 3.43Å; E353-I357 PolarHBondContact O-N 3.17Å; K354-I357 PolarHBondContact O-N 3.07Å; K354-I357 VanDerWaalsContact O-N 3.14Å; I357-E359 PolarHBondContact O-N 3.48Å; I357-R360 PolarHBondContact O-N 3.41Å; I357-L361 HydrophobicContact CG2-CD1 3.91Å; I357-L361 HydrophobicContact CG2-CG 4.29Å; I357-L361 WeakPolarHBondContact O-CG 3.4Å; I357-L361 PolarHBondContact O-N 3.01Å; I357-L625 HydrophobicContact CB-CD1 3.63Å; I357-L625 HydrophobicContact CD1-CD1 3.66Å; I357-L625 HydrophobicContact CG1-CD1 4.25Å; I357-L625 HydrophobicContact CG2-CD1 3.54Å; I357-L625 HydrophobicContact CG2-CG 4.4Å; I357-A690 VanDerWaalsContact CG2-O 3.28Å; I357-A690 WeakPolarHBondContact CG2-O 3.28Å; I357-Q691 HydrophobicContact CD1-CB 4.43Å; I357-Q691 HydrophobicContact CD1-CG 3.97Å |
| 358 | E | 95.9 | Very high | 95.3 | Very high | 40 Ų | 40 | 34.7 Ų | 34.7 | 19% | 0.187 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.6 | -42.2 | 178.8 | -67.7 | -70.4 | -179.6 | 0 | 0 | 111.7 | K354 T355 R360 L361 D362 R622 L625 | K354-E358 HydrophobicContact CG-CG 4.09Å; K354-E358 WeakPolarHBondContact O-CG 3.42Å; K354-E358 PolarHBondContact O-N 3.24Å; T355-E358 PolarHBondContact O-N 2.66Å; E358-R360 VanDerWaalsContact C-N 3.31Å; E358-R360 PolarHBondContact O-N 2.79Å; E358-L361 PolarHBondContact O-N 3.13Å; E358-D362 WeakPolarHBondContact O-CB 3.15Å; E358-D362 PolarHBondContact O-N 3.29Å; E358-R622 IonicContact OE2-CZ 3.57Å; E358-R622 IonicContact OE2-NE 3.97Å; E358-R622 IonicContact OE2-NH2 3.63Å; E358-R622 PolarHBondContact OE2-NH2 3.02Å; E358-L625 WeakPolarHBondContact OE1-CB 3.47Å |
| 359 | E | 96.4 | Very high | 95.5 | Very high | 76 Ų | 76 | 37 Ų | 37 | 36% | 0.355 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -57.1 | -45.2 | 174.1 | -174.6 | -173 | 166.2 | 0 | 0 | 111.2 | T355 I357 D362 L363 L432 | T355-E359 WeakPolarHBondContact O-CB 3.35Å; T355-E359 PolarHBondContact O-N 2.88Å; I357-E359 PolarHBondContact O-N 3.48Å; E359-D362 WeakPolarHBondContact O-CB 3.48Å; E359-D362 PolarHBondContact O-N 2.98Å; E359-L363 WeakPolarHBondContact O-CG 3.41Å; E359-L363 PolarHBondContact O-N 3.38Å; E359-L363 VanDerWaalsContact O-N 3.08Å; E359-L432 HydrophobicContact CG-CD1 3.97Å; E359-L432 HydrophobicContact CG-CD2 4.22Å |
| 360 | R | 97.6 | Very high | 95.7 | Very high | 32 Ų | 32 | 37.6 Ų | 37.6 | 12% | 0.121 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.7 | -38.1 | 178.5 | -165.8 | 179.1 | -71.1 | 169.3 | -1.9 | 112 | W346 K356 I357 E358 L363 V364 I692 | W346-R360 HydrophobicContact CH2-CG 4.39Å; W346-R360 HydrophobicContact CZ3-CG 4.26Å; K356-R360 WeakPolarHBondContact O-CB 3.31Å; K356-R360 PolarHBondContact O-N 3.35Å; K356-R360 VanDerWaalsContact O-N 3.15Å; I357-R360 PolarHBondContact O-N 3.41Å; E358-R360 VanDerWaalsContact C-N 3.31Å; E358-R360 PolarHBondContact O-N 2.79Å; R360-L363 PolarHBondContact O-N 3.15Å; R360-V364 WeakPolarHBondContact O-CG2 3.37Å; R360-V364 PolarHBondContact O-N 2.89Å; R360-I692 WeakPolarHBondContact CD-O 3.47Å; R360-I692 PolarHBondContact NH1-O 2.92Å |
| 361 | L | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.2 | -38.9 | 173.8 | -72.3 | 171.5 | 0 | 0 | 0 | 111.9 | I357 E358 L363 V364 E365 P623 F695 | I357-L361 HydrophobicContact CG2-CD1 3.91Å; I357-L361 HydrophobicContact CG2-CG 4.29Å; I357-L361 WeakPolarHBondContact O-CG 3.4Å; I357-L361 PolarHBondContact O-N 3.01Å; E358-L361 PolarHBondContact O-N 3.13Å; L361-L363 VanDerWaalsContact C-N 3.35Å; L361-V364 PolarHBondContact O-N 3.02Å; L361-E365 WeakPolarHBondContact O-CB 3.39Å; L361-E365 PolarHBondContact O-N 3.07Å; L361-P623 HydrophobicContact CD1-CG 4.02Å; L361-P623 HydrophobicContact CD2-CG 4.04Å; L361-F695 HydrophobicContact CD2-CD1 4.03Å; L361-F695 HydrophobicContact CD2-CE1 4.32Å |
| 362 | D | 97.3 | Very high | 95.6 | Very high | 40 Ų | 40 | 46.1 Ų | 46.1 | 21% | 0.214 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.2 | -43.5 | 174.7 | -72.8 | -16.7 | 0 | 0 | 0 | 111.4 | E358 E359 E365 S366 Y429 L432 R622 | E358-D362 WeakPolarHBondContact O-CB 3.15Å; E358-D362 PolarHBondContact O-N 3.29Å; E359-D362 WeakPolarHBondContact O-CB 3.48Å; E359-D362 PolarHBondContact O-N 2.98Å; D362-E365 PolarHBondContact O-N 3.13Å; D362-S366 PolarHBondContact O-N 3.05Å; D362-Y429 HydrophobicContact CB-CD1 3.64Å; D362-Y429 HydrophobicContact CB-CE1 3.75Å; D362-Y429 HydrophobicContact CB-CG 4.49Å; D362-Y429 VanDerWaalsContact OD1-CE1 3.29Å; D362-Y429 WeakPolarHBondContact OD1-CE1 3.18Å; D362-L432 HydrophobicContact CB-CD2 3.52Å; D362-R622 IonicContact OD1-CZ 3.19Å; D362-R622 IonicContact OD1-NH1 3.8Å; D362-R622 PolarHBondContact OD1-NH1 3.06Å; D362-R622 IonicContact OD1-NH2 2.78Å; D362-R622 PolarHBondContact OD1-NH2 3.23Å |
| 363 | L | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.2 | -48.2 | 174 | -65.8 | 176.9 | 0 | 0 | 0 | 110.8 | E359 R360 L361 E365 S366 F367 L432 L433 V436 F437 V606 | E359-L363 WeakPolarHBondContact O-CG 3.41Å; E359-L363 PolarHBondContact O-N 3.38Å; E359-L363 VanDerWaalsContact O-N 3.08Å; R360-L363 PolarHBondContact O-N 3.15Å; L361-L363 VanDerWaalsContact C-N 3.35Å; L363-E365 VanDerWaalsContact C-N 3.34Å; L363-E365 PolarHBondContact O-N 2.85Å; L363-S366 PolarHBondContact O-N 3.1Å; L363-S366 PolarHBondContact O-OG 3.16Å; L363-F367 VanDerWaalsContact O-CD2 3.25Å; L363-F367 WeakPolarHBondContact O-CD2 3.28Å; L363-L432 HydrophobicContact CD2-CD2 3.82Å; L363-L432 HydrophobicContact CD2-CG 3.84Å; L363-L432 HydrophobicContact CG-CD2 4.07Å; L363-L433 HydrophobicContact CD2-CD2 3.94Å; L363-V436 HydrophobicContact CD1-CG1 4.23Å; L363-F437 HydrophobicContact CD1-CE2 4.16Å; L363-F437 HydrophobicContact CD1-CZ 4.2Å; L363-F437 HydrophobicContact CD2-CD2 4.43Å; L363-F437 HydrophobicContact CD2-CE2 3.82Å; L363-F437 HydrophobicContact CG-CE2 4.49Å; L363-V606 HydrophobicContact CB-CB 4.31Å; L363-V606 HydrophobicContact CB-CG1 3.96Å; L363-V606 HydrophobicContact CD1-CG1 4.26Å |
| 364 | V | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.4 | -44 | 177.6 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | R360 L361 S366 F367 V368 V606 F609 A610 F695 | R360-V364 WeakPolarHBondContact O-CG2 3.37Å; R360-V364 PolarHBondContact O-N 2.89Å; L361-V364 PolarHBondContact O-N 3.02Å; V364-S366 VanDerWaalsContact C-N 3.28Å; V364-S366 PolarHBondContact O-N 3.05Å; V364-F367 PolarHBondContact O-N 3.09Å; V364-F367 VanDerWaalsContact O-N 3.14Å; V364-V368 HydrophobicContact CG1-CG2 4.07Å; V364-V368 WeakPolarHBondContact O-CG2 3.49Å; V364-V368 PolarHBondContact O-N 3.34Å; V364-V606 HydrophobicContact CG2-CB 4.21Å; V364-V606 HydrophobicContact CG2-CG1 4.43Å; V364-F609 HydrophobicContact CG1-CB 4.25Å; V364-F609 HydrophobicContact CG2-CB 3.85Å; V364-F609 HydrophobicContact CG2-CD2 4.08Å; V364-A610 HydrophobicContact CG1-CB 4.29Å; V364-F695 HydrophobicContact CB-CE1 4.37Å; V364-F695 HydrophobicContact CG1-CD1 3.92Å; V364-F695 HydrophobicContact CG1-CE1 3.97Å; V364-F695 HydrophobicContact CG1-CG 4.42Å |
| 365 | E | 96.9 | Very high | 95.7 | Very high | 45 Ų | 45 | 42.4 Ų | 42.4 | 21% | 0.21 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.8 | -37.5 | 179.9 | -170.2 | 161.7 | -167.2 | 0 | 0 | 112 | L361 D362 L363 F367 V368 C369 Y429 R622 F695 | L361-E365 WeakPolarHBondContact O-CB 3.39Å; L361-E365 PolarHBondContact O-N 3.07Å; D362-E365 PolarHBondContact O-N 3.13Å; L363-E365 VanDerWaalsContact C-N 3.34Å; L363-E365 PolarHBondContact O-N 2.85Å; E365-F367 VanDerWaalsContact C-N 3.31Å; E365-F367 PolarHBondContact O-N 3.05Å; E365-V368 PolarHBondContact O-N 3.17Å; E365-V368 VanDerWaalsContact O-N 3.14Å; E365-C369 WeakPolarHBondContact O-CB 3.39Å; E365-C369 PolarHBondContact O-N 3.35Å; E365-C369 PolarHBondContact O-SG 3.04Å; E365-C369 VanDerWaalsContact O-SG 3.34Å; E365-Y429 HydrophobicContact CB-CE2 3.97Å; E365-Y429 VanDerWaalsContact CD-OH 3.26Å; E365-Y429 HydrophobicContact CG-CE2 3.75Å; E365-Y429 PolarHBondContact OE2-OH 3.41Å; E365-R622 WeakPolarHBondContact OE2-CD 3.18Å; E365-R622 IonicContact OE2-CZ 3.93Å; E365-R622 IonicContact OE2-NE 3.17Å; E365-R622 IonicContact OE2-NH1 2.98Å; E365-R622 PolarHBondContact OE2-NH1 2.79Å; E365-F695 HydrophobicContact CB-CE1 4.25Å; E365-F695 HydrophobicContact CB-CZ 3.76Å; E365-F695 HydrophobicContact CG-CZ 4.02Å |
| 366 | S | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.3 | -41.9 | 175.3 | 77.7 | 0 | 0 | 0 | 0 | 113 | D362 L363 V364 D370 | D362-S366 PolarHBondContact O-N 3.05Å; L363-S366 PolarHBondContact O-N 3.1Å; L363-S366 PolarHBondContact O-OG 3.16Å; V364-S366 VanDerWaalsContact C-N 3.28Å; V364-S366 PolarHBondContact O-N 3.05Å; S366-D370 WeakPolarHBondContact O-CB 3.27Å; S366-D370 PolarHBondContact O-N 3.35Å |
| 367 | F | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -79.8 | -23.8 | 176.5 | -70.5 | -81.5 | 0 | 0 | 0 | 113.4 | L363 V364 E365 L373 R374 C377 L422 L433 L603 V606 A610 | L363-F367 VanDerWaalsContact O-CD2 3.25Å; L363-F367 WeakPolarHBondContact O-CD2 3.28Å; V364-F367 PolarHBondContact O-N 3.09Å; V364-F367 VanDerWaalsContact O-N 3.14Å; E365-F367 VanDerWaalsContact C-N 3.31Å; E365-F367 PolarHBondContact O-N 3.05Å; F367-L373 HydrophobicContact CD1-CD2 3.97Å; F367-L373 HydrophobicContact CD1-CG 3.9Å; F367-L373 HydrophobicContact CE1-CD1 4.21Å; F367-L373 HydrophobicContact CE1-CD2 3.73Å; F367-L373 HydrophobicContact CE1-CG 3.66Å; F367-L373 HydrophobicContact CZ-CD2 4.22Å; F367-R374 HydrophobicContact CD1-CB 4.48Å; F367-R374 WeakPolarHBondContact O-CB 3.25Å; F367-R374 WeakPolarHBondContact O-CD 3.14Å; F367-R374 PolarHBondContact O-NH1 3.37Å; F367-C377 HydrophobicContact CE1-CB 4.47Å; F367-L422 HydrophobicContact CZ-CD2 4.17Å; F367-L433 HydrophobicContact CE2-CD2 4.14Å; F367-L433 HydrophobicContact CZ-CD2 4.47Å; F367-L603 HydrophobicContact CE1-CD1 4.26Å; F367-L603 HydrophobicContact CE2-CD1 4.08Å; F367-L603 HydrophobicContact CZ-CD1 3.42Å; F367-L603 VanDerWaalsContact CZ-CD1 3.42Å; F367-V606 HydrophobicContact CD2-CG2 3.93Å; F367-V606 HydrophobicContact CE2-CG2 3.61Å; F367-V606 HydrophobicContact CZ-CG2 4.47Å; F367-A610 HydrophobicContact CB-CB 3.44Å; F367-A610 VanDerWaalsContact CB-CB 3.44Å |
| 368 | V | 95.3 | Very high | 95.5 | Very high | 36 Ų | 36 | 36.2 Ų | 36.2 | 22% | 0.218 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -72.2 | -46.3 | 173.8 | 171.3 | 0 | 0 | 0 | 0 | 110 | V364 E365 R374 A610 V614 F695 | V364-V368 HydrophobicContact CG1-CG2 4.07Å; V364-V368 WeakPolarHBondContact O-CG2 3.49Å; V364-V368 PolarHBondContact O-N 3.34Å; E365-V368 PolarHBondContact O-N 3.17Å; E365-V368 VanDerWaalsContact O-N 3.14Å; V368-R374 PolarHBondContact O-NH1 3.3Å; V368-A610 HydrophobicContact CG2-CB 3.74Å; V368-V614 HydrophobicContact CB-CG2 4.47Å; V368-V614 HydrophobicContact CG1-CG2 3.97Å; V368-V614 HydrophobicContact CG2-CG2 4.3Å; V368-F695 HydrophobicContact CB-CE2 4.16Å; V368-F695 HydrophobicContact CG1-CE2 4.02Å; V368-F695 HydrophobicContact CG2-CD2 4.22Å; V368-F695 HydrophobicContact CG2-CE2 3.91Å; V368-F695 HydrophobicContact CG2-CZ 4.37Å |
| 369 | C | 93.9 | Very high | 95.2 | Very high | 86 Ų | 86 | 39.2 Ų | 39.2 | 58% | 0.581 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -69.8 | -33 | -179.2 | -67.1 | 0 | 0 | 0 | 0 | 113.5 | E365 | E365-C369 WeakPolarHBondContact O-CB 3.39Å; E365-C369 PolarHBondContact O-N 3.35Å; E365-C369 PolarHBondContact O-SG 3.04Å; E365-C369 VanDerWaalsContact O-SG 3.34Å |
| 370 | D | 95.1 | Very high | 95 | Very high | 35 Ų | 35 | 38.8 Ų | 38.8 | 19% | 0.187 | 20% | 0.203 | C | C | . | . | trans | -105.7 | 100.5 | 179.1 | -166.7 | -28.5 | 0 | 0 | 0 | 111.5 | S366 E372 L373 R374 Y425 | S366-D370 WeakPolarHBondContact O-CB 3.27Å; S366-D370 PolarHBondContact O-N 3.35Å; D370-E372 PolarHBondContact OD1-N 3.5Å; D370-L373 HydrophobicContact CB-CB 3.95Å; D370-L373 PolarHBondContact OD1-N 3.44Å; D370-R374 WeakPolarHBondContact O-CB 3.49Å; D370-R374 PolarHBondContact O-N 3.17Å; D370-Y425 HydrophobicContact CB-CD2 3.81Å; D370-Y425 HydrophobicContact CB-CE2 3.9Å; D370-Y425 WeakPolarHBondContact OD2-CD2 3.31Å | ||
| 371 | S | 94.1 | Very high | 94.9 | Very high | 50 Ų | 50 | 37.8 Ų | 37.8 | 35% | 0.35 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -70.5 | -30.8 | 179.5 | -170.6 | 0 | 0 | 0 | 0 | 113.3 | R374 Q375 | S371-R374 PolarHBondContact OG-NH2 3.45Å; S371-R374 VanDerWaalsContact OG-NH2 3.1Å; S371-Q375 WeakPolarHBondContact O-CB 3.35Å; S371-Q375 VanDerWaalsContact O-CG 3.29Å; S371-Q375 WeakPolarHBondContact O-CG 3.46Å; S371-Q375 PolarHBondContact O-N 3.45Å |
| 372 | E | 94.4 | Very high | 94.8 | Very high | 141 Ų | 141 | 37.8 Ų | 37.8 | 66% | 0.659 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -71.1 | -51.6 | -178.6 | -176.9 | 174.5 | 177.3 | 0 | 0 | 109.1 | D370 R374 Q375 T376 | D370-E372 PolarHBondContact OD1-N 3.5Å; E372-R374 VanDerWaalsContact C-N 3.29Å; E372-R374 PolarHBondContact O-N 2.91Å; E372-Q375 PolarHBondContact O-N 3.04Å; E372-T376 WeakPolarHBondContact O-CB 3.45Å; E372-T376 PolarHBondContact O-N 2.83Å; E372-T376 PolarHBondContact O-OG1 2.85Å; E372-T376 VanDerWaalsContact O-OG1 3.08Å |
| 373 | L | 94.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -53.3 | -47.4 | 175.1 | 175.1 | 62.7 | 0 | 0 | 0 | 111.5 | F367 D370 C377 A421 L422 Y425 L433 | F367-L373 HydrophobicContact CD1-CD2 3.97Å; F367-L373 HydrophobicContact CD1-CG 3.9Å; F367-L373 HydrophobicContact CE1-CD1 4.21Å; F367-L373 HydrophobicContact CE1-CD2 3.73Å; F367-L373 HydrophobicContact CE1-CG 3.66Å; F367-L373 HydrophobicContact CZ-CD2 4.22Å; D370-L373 HydrophobicContact CB-CB 3.95Å; D370-L373 PolarHBondContact OD1-N 3.44Å; L373-C377 VanDerWaalsContact O-CB 3.3Å; L373-C377 WeakPolarHBondContact O-CB 3.22Å; L373-C377 PolarHBondContact O-N 3.45Å; L373-C377 PolarHBondContact O-SG 3.06Å; L373-C377 VanDerWaalsContact O-SG 3.4Å; L373-A421 HydrophobicContact CD1-CB 4.41Å; L373-A421 WeakPolarHBondContact CD1-O 3.34Å; L373-L422 HydrophobicContact CD1-CD2 4.12Å; L373-Y425 HydrophobicContact CD2-CD2 4.12Å; L373-Y425 HydrophobicContact CD2-CG 4.43Å; L373-L433 HydrophobicContact CD2-CD1 4.43Å |
| 374 | R | 94.9 | Very high | 94.3 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 8% | 0.083 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.1 | -47.7 | 179.8 | -176.7 | 179.7 | 62.7 | -119.9 | 2.3 | 112.2 | F367 V368 D370 S371 E372 Q378 V611 | F367-R374 HydrophobicContact CD1-CB 4.48Å; F367-R374 WeakPolarHBondContact O-CB 3.25Å; F367-R374 WeakPolarHBondContact O-CD 3.14Å; F367-R374 PolarHBondContact O-NH1 3.37Å; V368-R374 PolarHBondContact O-NH1 3.3Å; D370-R374 WeakPolarHBondContact O-CB 3.49Å; D370-R374 PolarHBondContact O-N 3.17Å; S371-R374 PolarHBondContact OG-NH2 3.45Å; S371-R374 VanDerWaalsContact OG-NH2 3.1Å; E372-R374 VanDerWaalsContact C-N 3.29Å; E372-R374 PolarHBondContact O-N 2.91Å; R374-Q378 VanDerWaalsContact O-CB 3.24Å; R374-Q378 WeakPolarHBondContact O-CB 3.41Å; R374-Q378 PolarHBondContact O-N 3.16Å; R374-V611 HydrophobicContact CG-CG2 3.74Å |
| 375 | Q | 94.1 | Very high | 94.2 | Very high | 99 Ų | 99 | 48.9 Ų | 48.9 | 46% | 0.463 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67 | -45.5 | -179.4 | -74.9 | 174.6 | -3.2 | 0 | 0 | 111.5 | S371 E372 C377 Q378 E379 | S371-Q375 WeakPolarHBondContact O-CB 3.35Å; S371-Q375 VanDerWaalsContact O-CG 3.29Å; S371-Q375 WeakPolarHBondContact O-CG 3.46Å; S371-Q375 PolarHBondContact O-N 3.45Å; E372-Q375 PolarHBondContact O-N 3.04Å; Q375-C377 PolarHBondContact O-N 3.46Å; Q375-Q378 PolarHBondContact O-N 3.33Å; Q375-E379 WeakPolarHBondContact O-CB 3.34Å; Q375-E379 PolarHBondContact O-N 2.86Å |
| 376 | T | 95.3 | Very high | 93.9 | Very high | 42 Ų | 42 | 48.3 Ų | 48.3 | 26% | 0.258 | 24% | 0.239 | S | C | . | . | I | π-helix | trans | -61 | -45.4 | 177.8 | -58 | 0 | 0 | 0 | 0 | 111.7 | E372 D380 L381 A421 | E372-T376 WeakPolarHBondContact O-CB 3.45Å; E372-T376 PolarHBondContact O-N 2.83Å; E372-T376 PolarHBondContact O-OG1 2.85Å; E372-T376 VanDerWaalsContact O-OG1 3.08Å; T376-D380 WeakPolarHBondContact O-CB 3.45Å; T376-D380 PolarHBondContact O-N 3.07Å; T376-L381 HydrophobicContact CG2-CD1 3.98Å; T376-L381 HydrophobicContact CG2-CG 4.25Å; T376-L381 PolarHBondContact O-N 3.21Å; T376-A421 HydrophobicContact CG2-CB 4.19Å |
| 377 | C | 93.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -64.1 | -51.1 | 176.8 | -75.4 | 0 | 0 | 0 | 0 | 111.5 | F367 L373 Q375 L382 | F367-C377 HydrophobicContact CE1-CB 4.47Å; L373-C377 VanDerWaalsContact O-CB 3.3Å; L373-C377 WeakPolarHBondContact O-CB 3.22Å; L373-C377 PolarHBondContact O-N 3.45Å; L373-C377 PolarHBondContact O-SG 3.06Å; L373-C377 VanDerWaalsContact O-SG 3.4Å; Q375-C377 PolarHBondContact O-N 3.46Å; C377-L382 HydrophobicContact CB-CD1 4.26Å; C377-L382 WeakPolarHBondContact O-CB 3.32Å; C377-L382 WeakPolarHBondContact O-CD1 3.3Å; C377-L382 WeakPolarHBondContact O-CG 3.33Å; C377-L382 PolarHBondContact O-N 2.8Å |
| 378 | Q | 91.5 | Very high | 93.2 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 7% | 0.065 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -76.1 | -45.9 | -172 | -165.5 | -168.7 | 26.5 | 0 | 0 | 113.4 | K333 R335 R374 Q375 V611 | K333-Q378 PolarHBondContact O-NE2 2.94Å; R335-Q378 HydrophobicContact CG-CG 3.89Å; R335-Q378 VanDerWaalsContact CG-O 3.32Å; R335-Q378 WeakPolarHBondContact CG-O 3.27Å; R335-Q378 PolarHBondContact NE-O 3.39Å; R374-Q378 VanDerWaalsContact O-CB 3.24Å; R374-Q378 WeakPolarHBondContact O-CB 3.41Å; R374-Q378 PolarHBondContact O-N 3.16Å; Q375-Q378 PolarHBondContact O-N 3.33Å; Q378-V611 HydrophobicContact CG-CG2 4.36Å |
| 379 | E | 90.4 | Very high | 92.6 | Very high | 103 Ų | 103 | 49.4 Ų | 49.4 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | I | π-helix | trans | -87 | -31.1 | -173.3 | -62.4 | -168.7 | 171.9 | 0 | 0 | 112.1 | Q375 R383 | Q375-E379 WeakPolarHBondContact O-CB 3.34Å; Q375-E379 PolarHBondContact O-N 2.86Å; E379-R383 WeakPolarHBondContact O-CD 3.27Å; E379-R383 PolarHBondContact O-NE 3.16Å; E379-R383 PolarHBondContact O-NH1 3.38Å; E379-R383 PolarHBondContact O-NH2 3Å; E379-R383 VanDerWaalsContact O-NH2 3.09Å |
| 380 | D | 92.3 | Very high | 92 | Very high | 66 Ų | 66 | 47.4 Ų | 47.4 | 35% | 0.353 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -107.3 | -49.5 | -171.7 | -72 | -39.4 | 0 | 0 | 0 | 115.3 | T376 R383 R384 | T376-D380 WeakPolarHBondContact O-CB 3.45Å; T376-D380 PolarHBondContact O-N 3.07Å; D380-R383 IonicContact OD1-NH2 3.76Å; D380-R383 PolarHBondContact OD1-NH2 3.3Å; D380-R384 WeakPolarHBondContact O-CD 3.04Å; D380-R384 WeakPolarHBondContact O-CG 3.42Å; D380-R384 PolarHBondContact O-NE 2.94Å |
| 381 | L | 95 | Very high | 91.7 | Very high | 11 Ų | 11 | 46.1 Ų | 46.1 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -91.9 | -54.6 | -167.9 | -61.2 | 178.4 | 0 | 0 | 0 | 113.2 | T376 R383 R384 F385 A417 L418 A421 | T376-L381 HydrophobicContact CG2-CD1 3.98Å; T376-L381 HydrophobicContact CG2-CG 4.25Å; T376-L381 PolarHBondContact O-N 3.21Å; L381-R383 VanDerWaalsContact C-N 3.3Å; L381-R383 PolarHBondContact O-N 3.19Å; L381-R384 WeakPolarHBondContact O-CB 3.37Å; L381-R384 PolarHBondContact O-N 3.08Å; L381-F385 WeakPolarHBondContact O-CD2 3.38Å; L381-A417 HydrophobicContact CD2-CB 3.97Å; L381-L418 HydrophobicContact CB-CD1 4.22Å; L381-L418 HydrophobicContact CD1-CB 4.28Å; L381-L418 HydrophobicContact CD1-CD1 3.76Å; L381-A421 HydrophobicContact CD1-CB 4.11Å |
| 382 | L | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -60.2 | -37.4 | -172.1 | -72.6 | 170.1 | 0 | 0 | 0 | 112.7 | R335 T336 C377 R384 F385 I600 L603 D604 A607 | R335-L382 HydrophobicContact CB-CB 4.04Å; T336-L382 HydrophobicContact CG2-CB 4.48Å; T336-L382 VanDerWaalsContact CG2-O 3.22Å; T336-L382 WeakPolarHBondContact CG2-O 3.42Å; C377-L382 HydrophobicContact CB-CD1 4.26Å; C377-L382 WeakPolarHBondContact O-CB 3.32Å; C377-L382 WeakPolarHBondContact O-CD1 3.3Å; C377-L382 WeakPolarHBondContact O-CG 3.33Å; C377-L382 PolarHBondContact O-N 2.8Å; L382-R384 PolarHBondContact O-N 3.34Å; L382-F385 PolarHBondContact O-N 3.19Å; L382-F385 VanDerWaalsContact O-N 3.11Å; L382-I600 HydrophobicContact CD2-CG2 4.15Å; L382-L603 HydrophobicContact CD2-CD2 4.24Å; L382-L603 HydrophobicContact CD2-CG 4.44Å; L382-D604 HydrophobicContact CD1-CB 4.12Å; L382-D604 HydrophobicContact CD2-CB 4.24Å; L382-A607 HydrophobicContact CD1-CB 4.3Å |
| 383 | R | 92.9 | Very high | 90.6 | Very high | 150 Ų | 150 | 37.9 Ų | 37.9 | 57% | 0.566 | 17% | 0.172 | S | C | * | . | G | 310 helix | trans | -60.7 | -16.5 | 176.9 | 67 | 170.3 | 176.3 | -162.2 | -17 | 114.5 | R335 E379 D380 L381 | R335-R383 HydrophobicContact CB-CB 4.49Å; E379-R383 WeakPolarHBondContact O-CD 3.27Å; E379-R383 PolarHBondContact O-NE 3.16Å; E379-R383 PolarHBondContact O-NH1 3.38Å; E379-R383 PolarHBondContact O-NH2 3Å; E379-R383 VanDerWaalsContact O-NH2 3.09Å; D380-R383 IonicContact OD1-NH2 3.76Å; D380-R383 PolarHBondContact OD1-NH2 3.3Å; L381-R383 VanDerWaalsContact C-N 3.3Å; L381-R383 PolarHBondContact O-N 3.19Å |
| 384 | R | 93 | Very high | 90.1 | Very high | 116 Ų | 116 | 39.5 Ų | 39.5 | 44% | 0.438 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -87.9 | -14.8 | -179.3 | -54.8 | -177.2 | -172.1 | -167.3 | -3.6 | 112.6 | D380 L381 L382 H414 | D380-R384 WeakPolarHBondContact O-CD 3.04Å; D380-R384 WeakPolarHBondContact O-CG 3.42Å; D380-R384 PolarHBondContact O-NE 2.94Å; L381-R384 WeakPolarHBondContact O-CB 3.37Å; L381-R384 PolarHBondContact O-N 3.08Å; L382-R384 PolarHBondContact O-N 3.34Å; R384-H414 VanDerWaalsContact CB-CD2 3.45Å; R384-H414 WeakPolarHBondContact CB-CD2 3.42Å; R384-H414 WeakPolarHBondContact CD-NE2 3.25Å |
| 385 | F | 93.6 | Very high | 89.7 | Confident | 7 Ų | 7 | 38.6 Ų | 38.6 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | trans | -80.1 | 124.1 | 176.2 | -71.7 | -92.3 | 0 | 0 | 0 | 109.9 | T336 L381 L382 L388 A411 H414 I415 L418 I600 | T336-F385 HydrophobicContact CG2-CB 4.13Å; L381-F385 WeakPolarHBondContact O-CD2 3.38Å; L382-F385 PolarHBondContact O-N 3.19Å; L382-F385 VanDerWaalsContact O-N 3.11Å; F385-L388 HydrophobicContact CD1-CD1 4.35Å; F385-A411 HydrophobicContact CD1-CB 4.05Å; F385-A411 HydrophobicContact CE1-CB 4.43Å; F385-A411 VanDerWaalsContact CE1-O 3.29Å; F385-A411 WeakPolarHBondContact CE1-O 3.33Å; F385-H414 HydrophobicContact CE2-CB 4.12Å; F385-H414 HydrophobicContact CZ-CB 3.95Å; F385-I415 HydrophobicContact CE1-CG1 4.4Å; F385-L418 HydrophobicContact CE2-CD2 4.33Å; F385-L418 HydrophobicContact CZ-CD2 4.23Å; F385-I600 HydrophobicContact CB-CG2 4.36Å; F385-I600 HydrophobicContact CD1-CD1 4.21Å; F385-I600 HydrophobicContact CD1-CG1 4.18Å; F385-I600 HydrophobicContact CD2-CD1 4.44Å; F385-I600 HydrophobicContact CE1-CD1 3.93Å; F385-I600 HydrophobicContact CE1-CG1 4.24Å; F385-I600 HydrophobicContact CE2-CD1 4.18Å; F385-I600 HydrophobicContact CG-CD1 4.46Å; F385-I600 HydrophobicContact CG-CG2 4.35Å; F385-I600 HydrophobicContact CZ-CD1 3.91Å | ||
| 386 | P | 91.3 | Very high | 89.1 | Confident | 34 Ų | 34 | 36.2 Ų | 36.2 | 22% | 0.221 | 17% | 0.165 | C | C | . | . | trans | -73.5 | -179.1 | 173.5 | 33.4 | -35.4 | 0 | 0 | 0 | 110.9 | Q338 L388 L391 A411 | Q338-P386 PolarHBondContact NE2-O 2.84Å; Q338-P386 PolarHBondContact OE1-O 3.41Å; P386-L388 VanDerWaalsContact C-N 3.3Å; P386-L388 HydrophobicContact CG-CD2 3.93Å; P386-L388 PolarHBondContact O-N 3.11Å; P386-L391 HydrophobicContact CB-CD1 3.89Å; P386-L391 HydrophobicContact CG-CD1 3.54Å; P386-A411 HydrophobicContact CG-CB 4.16Å | ||
| 387 | D | 88.3 | Confident | 88.3 | Confident | 33 Ų | 33 | 37 Ų | 37 | 18% | 0.176 | 16% | 0.163 | C | C | . | . | trans | -71 | 87.2 | 169.2 | -165.5 | -27.5 | 0 | 0 | 0 | 110.1 | P337 R341 H389 R390 L391 | P337-D387 HydrophobicContact CB-CB 4.24Å; P337-D387 WeakPolarHBondContact CB-OD2 3.31Å; P337-D387 HydrophobicContact CG-CB 4.1Å; R341-D387 IonicContact CZ-OD1 3.25Å; R341-D387 IonicContact CZ-OD2 2.9Å; R341-D387 IonicContact NH1-OD1 3.03Å; R341-D387 IonicContact NH1-OD2 3.57Å; R341-D387 PolarHBondContact NH1-OD2 3.2Å; R341-D387 VanDerWaalsContact NH2-CG 3.33Å; R341-D387 IonicContact NH2-OD1 2.76Å; R341-D387 PolarHBondContact NH2-OD1 3.14Å; R341-D387 IonicContact NH2-OD2 2.68Å; R341-D387 PolarHBondContact NH2-OD2 3.39Å; D387-H389 VanDerWaalsContact C-N 3.29Å; D387-H389 PolarHBondContact O-N 2.92Å; D387-H389 PolarHBondContact OD1-N 3.31Å; D387-R390 HydrophobicContact CB-CB 4.02Å; D387-R390 PolarHBondContact O-N 2.94Å; D387-R390 PolarHBondContact OD1-N 2.97Å; D387-R390 VanDerWaalsContact OD1-N 3.1Å; D387-L391 WeakPolarHBondContact O-CG 3.36Å; D387-L391 PolarHBondContact O-N 3.43Å | ||
| 388 | L | 89.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.1 | -38.5 | -176 | -62 | 175.9 | 0 | 0 | 0 | 111.7 | F385 P386 R390 L391 A392 A411 L593 L596 | F385-L388 HydrophobicContact CD1-CD1 4.35Å; P386-L388 VanDerWaalsContact C-N 3.3Å; P386-L388 HydrophobicContact CG-CD2 3.93Å; P386-L388 PolarHBondContact O-N 3.11Å; L388-R390 PolarHBondContact O-N 2.9Å; L388-L391 PolarHBondContact O-N 3.14Å; L388-A392 WeakPolarHBondContact O-CB 3.43Å; L388-A392 PolarHBondContact O-N 2.89Å; L388-A411 HydrophobicContact CD2-CB 3.94Å; L388-L593 HydrophobicContact CB-CD1 4.02Å; L388-L593 HydrophobicContact CB-CG 4.41Å; L388-L593 HydrophobicContact CD2-CD1 3.7Å; L388-L593 HydrophobicContact CG-CD1 4.29Å; L388-L596 HydrophobicContact CD1-CB 4.25Å; L388-L596 HydrophobicContact CD1-CD2 3.77Å; L388-L596 HydrophobicContact CD1-CG 3.65Å |
| 389 | H | 82 | Confident | 87.4 | Confident | 25 Ų | 25 | 45.3 Ų | 45.3 | 12% | 0.116 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.1 | -44.6 | 176.5 | -179.4 | -76.7 | 0 | 0 | 0 | 111.8 | A170 D387 A392 K393 | A170-H389 PolarHBondContact O-CE1 2.94Å; A170-H389 PolarHBondContact O-NE2 3.34Å; D387-H389 VanDerWaalsContact C-N 3.29Å; D387-H389 PolarHBondContact O-N 2.92Å; D387-H389 PolarHBondContact OD1-N 3.31Å; H389-A392 PolarHBondContact O-N 2.83Å; H389-K393 PolarHBondContact O-N 3.42Å |
| 390 | R | 82 | Confident | 87.2 | Confident | 44 Ų | 44 | 40.7 Ų | 40.7 | 17% | 0.166 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.2 | -39.9 | 175.7 | -175.6 | 178.4 | 173.8 | -172.9 | 1.8 | 112.4 | D132 F135 D387 L388 K393 K394 | D132-R390 IonicContact OD1-CZ 3.69Å; D132-R390 IonicContact OD1-NE 3.93Å; D132-R390 IonicContact OD1-NH2 3.64Å; D132-R390 PolarHBondContact OD1-NH2 3.31Å; F135-R390 VanDerWaalsContact C-NH1 3.31Å; F135-R390 PolarHBondContact O-NH1 3.34Å; D387-R390 HydrophobicContact CB-CB 4.02Å; D387-R390 PolarHBondContact O-N 2.94Å; D387-R390 PolarHBondContact OD1-N 2.97Å; D387-R390 VanDerWaalsContact OD1-N 3.1Å; L388-R390 PolarHBondContact O-N 2.9Å; R390-K393 WeakPolarHBondContact O-CB 3.48Å; R390-K393 PolarHBondContact O-N 3.1Å; R390-K394 PolarHBondContact O-N 3.13Å |
| 391 | L | 87.1 | Confident | 87.1 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 5% | 0.047 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.9 | -46.5 | 175.9 | -71.7 | 171.3 | 0 | 0 | 0 | 111 | P386 D387 L388 K393 K394 F395 D404 R407 V408 L593 | P386-L391 HydrophobicContact CB-CD1 3.89Å; P386-L391 HydrophobicContact CG-CD1 3.54Å; D387-L391 WeakPolarHBondContact O-CG 3.36Å; D387-L391 PolarHBondContact O-N 3.43Å; L388-L391 PolarHBondContact O-N 3.14Å; L391-K393 PolarHBondContact O-N 2.91Å; L391-K394 WeakPolarHBondContact O-CB 3.32Å; L391-K394 PolarHBondContact O-N 3.41Å; L391-F395 HydrophobicContact CB-CE2 4.38Å; L391-F395 WeakPolarHBondContact O-CD2 3.37Å; L391-F395 PolarHBondContact O-N 2.93Å; L391-F395 VanDerWaalsContact O-N 3.07Å; L391-D404 HydrophobicContact CD2-CB 3.93Å; L391-R407 HydrophobicContact CD1-CB 4.28Å; L391-V408 HydrophobicContact CB-CG2 4.35Å; L391-V408 HydrophobicContact CD1-CG2 3.98Å; L391-L593 HydrophobicContact CB-CD2 4.39Å |
| 392 | A | 86.1 | Confident | 86.9 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -53.5 | -41 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | L388 H389 F395 H396 V590 L593 Q594 | L388-A392 WeakPolarHBondContact O-CB 3.43Å; L388-A392 PolarHBondContact O-N 2.89Å; H389-A392 PolarHBondContact O-N 2.83Å; A392-F395 PolarHBondContact O-N 3.47Å; A392-H396 WeakPolarHBondContact O-CB 3.48Å; A392-H396 PolarHBondContact O-N 3.32Å; A392-V590 HydrophobicContact CB-CG1 4.32Å; A392-L593 HydrophobicContact CB-CB 4.49Å; A392-L593 HydrophobicContact CB-CD2 3.75Å; A392-L593 HydrophobicContact CB-CG 4.11Å; A392-Q594 HydrophobicContact CB-CG 4.13Å |
| 393 | K | 80.3 | Confident | 86.8 | Confident | 16 Ų | 16 | 44.4 Ų | 44.4 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -41.3 | 175.9 | -173.1 | 174.2 | -177.7 | 171.9 | 0 | 113.3 | E131 H389 R390 L391 H396 R397 | E131-K393 WeakPolarHBondContact OE2-CD 3.44Å; E131-K393 VanDerWaalsContact OE2-CE 3.3Å; E131-K393 WeakPolarHBondContact OE2-CE 3.41Å; E131-K393 IonicContact OE2-NZ 3.66Å; E131-K393 PolarHBondContact OE2-NZ 2.95Å; H389-K393 PolarHBondContact O-N 3.42Å; R390-K393 WeakPolarHBondContact O-CB 3.48Å; R390-K393 PolarHBondContact O-N 3.1Å; L391-K393 PolarHBondContact O-N 2.91Å; K393-H396 PolarHBondContact O-N 2.71Å; K393-R397 VanDerWaalsContact CE-CZ 3.43Å; K393-R397 PolarHBondContact O-N 3.46Å |
| 394 | K | 83.4 | Confident | 86.7 | Confident | 37 Ų | 37 | 37.3 Ų | 37.3 | 16% | 0.161 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.1 | -41.4 | 175.6 | -72.3 | -172.9 | 172 | -169.7 | 0 | 112.2 | R390 L391 R397 H398 T399 A400 D404 | R390-K394 PolarHBondContact O-N 3.13Å; L391-K394 WeakPolarHBondContact O-CB 3.32Å; L391-K394 PolarHBondContact O-N 3.41Å; K394-R397 PolarHBondContact O-N 3.35Å; K394-H398 PolarHBondContact O-N 3.01Å; K394-H398 VanDerWaalsContact O-N 3.16Å; K394-T399 PolarHBondContact O-N 2.89Å; K394-T399 VanDerWaalsContact O-N 3.08Å; K394-A400 HydrophobicContact CB-CB 4.09Å; K394-A400 PolarHBondContact O-N 3.47Å; K394-D404 IonicContact NZ-OD1 3.66Å; K394-D404 PolarHBondContact NZ-OD1 3.31Å; K394-D404 IonicContact NZ-OD2 2.83Å; K394-D404 PolarHBondContact NZ-OD2 3.49Å; K394-D404 VanDerWaalsContact NZ-OD2 3.13Å |
| 395 | F | 86.7 | Confident | 86.7 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.2 | -43.5 | 176.2 | -74.9 | -68.9 | 0 | 0 | 0 | 111.7 | L391 A392 R397 H398 A400 D404 V408 A586 V590 L593 | L391-F395 HydrophobicContact CB-CE2 4.38Å; L391-F395 WeakPolarHBondContact O-CD2 3.37Å; L391-F395 PolarHBondContact O-N 2.93Å; L391-F395 VanDerWaalsContact O-N 3.07Å; A392-F395 PolarHBondContact O-N 3.47Å; F395-R397 VanDerWaalsContact C-N 3.29Å; F395-R397 PolarHBondContact O-N 3.41Å; F395-H398 PolarHBondContact O-N 2.9Å; F395-H398 VanDerWaalsContact O-N 3.11Å; F395-A400 HydrophobicContact CD1-CB 3.61Å; F395-A400 HydrophobicContact CE1-CB 3.62Å; F395-A400 HydrophobicContact CG-CB 4.11Å; F395-A400 HydrophobicContact CZ-CB 4.12Å; F395-D404 HydrophobicContact CZ-CB 4.32Å; F395-V408 HydrophobicContact CE2-CG2 3.67Å; F395-V408 HydrophobicContact CZ-CG2 4.2Å; F395-A586 HydrophobicContact CD1-CB 3.76Å; F395-A586 HydrophobicContact CE1-CB 3.61Å; F395-V590 HydrophobicContact CB-CG2 3.84Å; F395-L593 HydrophobicContact CD2-CD2 4.29Å |
| 396 | H | 81.6 | Confident | 86.7 | Confident | 49 Ų | 49 | 32.3 Ų | 32.3 | 23% | 0.227 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.3 | -32.1 | 177.7 | -165.4 | 81.4 | 0 | 0 | 0 | 113.2 | S285 A392 K393 H398 V590 | S285-H396 PolarHBondContact O-CD2 3.31Å; S285-H396 PolarHBondContact O-NE2 2.86Å; A392-H396 WeakPolarHBondContact O-CB 3.48Å; A392-H396 PolarHBondContact O-N 3.32Å; K393-H396 PolarHBondContact O-N 2.71Å; H396-H398 VanDerWaalsContact C-N 3.32Å; H396-V590 HydrophobicContact CB-CG2 4.45Å |
| 397 | R | 79.3 | Confident | 86.8 | Confident | 57 Ų | 57 | 35.8 Ų | 35.8 | 22% | 0.215 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -2.1 | 175.5 | -73.6 | -178.6 | 167.3 | -178.3 | -5.4 | 114.3 | T128 K393 K394 F395 T399 | T128-R397 PolarHBondContact O-NH1 3.25Å; T128-R397 PolarHBondContact O-NH2 2.66Å; K393-R397 VanDerWaalsContact CE-CZ 3.43Å; K393-R397 PolarHBondContact O-N 3.46Å; K394-R397 PolarHBondContact O-N 3.35Å; F395-R397 VanDerWaalsContact C-N 3.29Å; F395-R397 PolarHBondContact O-N 3.41Å; R397-T399 HydrophobicContact CB-CG2 4.17Å; R397-T399 PolarHBondContact O-N 3.39Å; R397-T399 VanDerWaalsContact O-N 3.14Å |
| 398 | H | 81.6 | Confident | 87.1 | Confident | 110 Ų | 110 | 34.3 Ų | 34.3 | 51% | 0.509 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 27.7 | -171.6 | -58.4 | -79.9 | 0 | 0 | 0 | 114 | K394 F395 H396 | K394-H398 PolarHBondContact O-N 3.01Å; K394-H398 VanDerWaalsContact O-N 3.16Å; F395-H398 PolarHBondContact O-N 2.9Å; F395-H398 VanDerWaalsContact O-N 3.11Å; H396-H398 VanDerWaalsContact C-N 3.32Å |
| 399 | T | 83.4 | Confident | 87.3 | Confident | 79 Ų | 79 | 36.2 Ų | 36.2 | 49% | 0.485 | 17% | 0.17 | S | C | . | . | trans | -103.2 | 3.8 | 175.6 | 58.8 | 0 | 0 | 0 | 0 | 112.8 | K394 R397 | K394-T399 PolarHBondContact O-N 2.89Å; K394-T399 VanDerWaalsContact O-N 3.08Å; R397-T399 HydrophobicContact CB-CG2 4.17Å; R397-T399 PolarHBondContact O-N 3.39Å; R397-T399 VanDerWaalsContact O-N 3.14Å | ||
| 400 | A | 87.6 | Confident | 87.8 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 6% | 0.058 | 18% | 0.184 | C | C | . | . | trans | -64.7 | 151.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K394 F395 D404 I583 | K394-A400 HydrophobicContact CB-CB 4.09Å; K394-A400 PolarHBondContact O-N 3.47Å; F395-A400 HydrophobicContact CD1-CB 3.61Å; F395-A400 HydrophobicContact CE1-CB 3.62Å; F395-A400 HydrophobicContact CG-CB 4.11Å; F395-A400 HydrophobicContact CZ-CB 4.12Å; A400-D404 HydrophobicContact CB-CB 4.29Å; A400-I583 HydrophobicContact CB-CG2 4.3Å; A400-I583 WeakPolarHBondContact O-CD1 3.4Å | ||
| 401 | T | 90.1 | Very high | 88.4 | Confident | 67 Ų | 67 | 37.2 Ų | 37.2 | 41% | 0.411 | 18% | 0.176 | S | C | . | . | trans | -111.3 | 167.8 | 176.2 | 60.5 | 0 | 0 | 0 | 0 | 111 | Q403 D404 C405 | T401-Q403 PolarHBondContact O-N 3.22Å; T401-D404 PolarHBondContact N-OD2 2.66Å; T401-D404 WeakPolarHBondContact O-CA 3.33Å; T401-D404 WeakPolarHBondContact O-CB 3.16Å; T401-D404 PolarHBondContact O-N 3.4Å; T401-D404 PolarHBondContact OG1-N 3.07Å; T401-D404 PolarHBondContact OG1-OD2 2.68Å; T401-C405 PolarHBondContact O-N 3.35Å; T401-C405 VanDerWaalsContact O-N 3.14Å | ||
| 402 | L | 90.6 | Very high | 88.8 | Confident | 11 Ų | 11 | 36.8 Ų | 36.8 | 6% | 0.058 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61 | -28.6 | 175.5 | -162.6 | 65.2 | 0 | 0 | 0 | 112.2 | C405 H406 L459 F469 V471 V579 I582 | L402-C405 WeakPolarHBondContact O-CB 3.48Å; L402-C405 PolarHBondContact O-N 3.44Å; L402-H406 PolarHBondContact O-N 3.48Å; L402-L459 HydrophobicContact CD1-CD1 3.99Å; L402-L459 HydrophobicContact CD2-CD1 4.16Å; L402-L459 HydrophobicContact CD2-CG 4.11Å; L402-L459 HydrophobicContact CG-CD1 3.7Å; L402-L459 HydrophobicContact CG-CG 4.21Å; L402-F469 HydrophobicContact CB-CB 4.16Å; L402-F469 HydrophobicContact CD2-CB 4.29Å; L402-F469 HydrophobicContact CG-CB 4.39Å; L402-V471 HydrophobicContact CD2-CG2 4.38Å; L402-V579 HydrophobicContact CD2-CG2 4.45Å; L402-I582 HydrophobicContact CD1-CD1 4.45Å; L402-I582 HydrophobicContact CD1-CG2 4.41Å |
| 403 | Q | 91.3 | Very high | 89.2 | Confident | 77 Ų | 77 | 38.8 Ų | 38.8 | 36% | 0.36 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.3 | -41.1 | 169.8 | 179.7 | 178.1 | 22.4 | 0 | 0 | 112.4 | T401 C405 H406 R407 F469 | T401-Q403 PolarHBondContact O-N 3.22Å; Q403-C405 VanDerWaalsContact C-N 3.33Å; Q403-H406 PolarHBondContact O-N 3.45Å; Q403-R407 WeakPolarHBondContact O-CG 3.29Å; Q403-R407 PolarHBondContact O-N 3.29Å; Q403-F469 HydrophobicContact CB-CD1 4.14Å; Q403-F469 HydrophobicContact CB-CD2 3.73Å; Q403-F469 HydrophobicContact CB-CE1 4.18Å; Q403-F469 HydrophobicContact CB-CE2 3.79Å; Q403-F469 HydrophobicContact CB-CG 3.93Å; Q403-F469 HydrophobicContact CB-CZ 4.02Å; Q403-F469 HydrophobicContact CG-CD2 4.13Å; Q403-F469 HydrophobicContact CG-CE1 4.06Å; Q403-F469 HydrophobicContact CG-CE2 3.62Å; Q403-F469 HydrophobicContact CG-CZ 3.59Å |
| 404 | D | 92.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.7 | -37.4 | 177.5 | -62.6 | -57.7 | 0 | 0 | 0 | 110.6 | L391 K394 F395 A400 T401 R407 V408 | L391-D404 HydrophobicContact CD2-CB 3.93Å; K394-D404 IonicContact NZ-OD1 3.66Å; K394-D404 PolarHBondContact NZ-OD1 3.31Å; K394-D404 IonicContact NZ-OD2 2.83Å; K394-D404 PolarHBondContact NZ-OD2 3.49Å; K394-D404 VanDerWaalsContact NZ-OD2 3.13Å; F395-D404 HydrophobicContact CZ-CB 4.32Å; A400-D404 HydrophobicContact CB-CB 4.29Å; T401-D404 PolarHBondContact N-OD2 2.66Å; T401-D404 WeakPolarHBondContact O-CA 3.33Å; T401-D404 WeakPolarHBondContact O-CB 3.16Å; T401-D404 PolarHBondContact O-N 3.4Å; T401-D404 PolarHBondContact OG1-N 3.07Å; T401-D404 PolarHBondContact OG1-OD2 2.68Å; D404-R407 PolarHBondContact O-N 2.88Å; D404-V408 PolarHBondContact O-N 2.94Å; D404-V408 VanDerWaalsContact O-N 3.15Å |
| 405 | C | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.2 | -47.1 | 171.8 | -61.3 | 0 | 0 | 0 | 0 | 112.1 | T401 L402 Q403 R407 V408 Y409 Y451 I455 | T401-C405 PolarHBondContact O-N 3.35Å; T401-C405 VanDerWaalsContact O-N 3.14Å; L402-C405 WeakPolarHBondContact O-CB 3.48Å; L402-C405 PolarHBondContact O-N 3.44Å; Q403-C405 VanDerWaalsContact C-N 3.33Å; C405-R407 VanDerWaalsContact C-N 3.29Å; C405-R407 PolarHBondContact O-N 3.4Å; C405-V408 PolarHBondContact O-N 3.45Å; C405-Y409 PolarHBondContact O-N 3.42Å; C405-Y451 VanDerWaalsContact CA-OH 3.31Å; C405-Y451 WeakPolarHBondContact CA-OH 3.38Å; C405-Y451 PolarHBondContact O-OH 3.37Å; C405-Y451 VanDerWaalsContact O-OH 3.13Å; C405-I455 HydrophobicContact CB-CD1 3.82Å |
| 406 | H | 93.1 | Very high | 90.9 | Very high | 17 Ų | 17 | 40.2 Ų | 40.2 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.2 | -37.8 | 177 | 178.2 | -107.1 | 0 | 0 | 0 | 112.3 | L402 Q403 V408 Y409 Q410 L459 F469 | L402-H406 PolarHBondContact O-N 3.48Å; Q403-H406 PolarHBondContact O-N 3.45Å; H406-V408 PolarHBondContact O-N 3.32Å; H406-Y409 WeakPolarHBondContact O-CB 3.43Å; H406-Y409 PolarHBondContact O-N 2.93Å; H406-Q410 PolarHBondContact CE1-NE2 2.95Å; H406-Q410 WeakPolarHBondContact O-CG 3.29Å; H406-Q410 PolarHBondContact O-N 3.03Å; H406-L459 HydrophobicContact CB-CD1 4.06Å; H406-F469 HydrophobicContact CB-CD1 4.2Å; H406-F469 HydrophobicContact CB-CE1 4.1Å; H406-F469 AromaticContact ND1-CE1 3.77Å |
| 407 | R | 92.9 | Very high | 91.6 | Very high | 108 Ų | 108 | 40 Ų | 40 | 41% | 0.408 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.7 | -40.6 | 175.6 | -77.4 | 173.8 | 161.5 | 176.8 | -5 | 112.9 | L391 Q403 D404 C405 A411 | L391-R407 HydrophobicContact CD1-CB 4.28Å; Q403-R407 WeakPolarHBondContact O-CG 3.29Å; Q403-R407 PolarHBondContact O-N 3.29Å; D404-R407 PolarHBondContact O-N 2.88Å; C405-R407 VanDerWaalsContact C-N 3.29Å; C405-R407 PolarHBondContact O-N 3.4Å; R407-A411 PolarHBondContact O-N 3.19Å; R407-A411 VanDerWaalsContact O-N 3.1Å |
| 408 | V | 94.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.8 | -44.4 | 174 | 175 | 0 | 0 | 0 | 0 | 110.3 | L391 F395 D404 C405 H406 Q410 A411 V412 Y451 L593 | L391-V408 HydrophobicContact CB-CG2 4.35Å; L391-V408 HydrophobicContact CD1-CG2 3.98Å; F395-V408 HydrophobicContact CE2-CG2 3.67Å; F395-V408 HydrophobicContact CZ-CG2 4.2Å; D404-V408 PolarHBondContact O-N 2.94Å; D404-V408 VanDerWaalsContact O-N 3.15Å; C405-V408 PolarHBondContact O-N 3.45Å; H406-V408 PolarHBondContact O-N 3.32Å; V408-Q410 VanDerWaalsContact C-N 3.33Å; V408-Q410 PolarHBondContact O-N 3.32Å; V408-A411 WeakPolarHBondContact O-CB 3.41Å; V408-A411 PolarHBondContact O-N 3.35Å; V408-A411 VanDerWaalsContact O-N 3.11Å; V408-V412 HydrophobicContact CG1-CG2 4.21Å; V408-V412 WeakPolarHBondContact O-CG2 3.39Å; V408-V412 PolarHBondContact O-N 3.48Å; V408-Y451 HydrophobicContact CB-CE1 4.08Å; V408-Y451 HydrophobicContact CG1-CD1 4.43Å; V408-Y451 HydrophobicContact CG1-CE1 3.7Å; V408-L593 HydrophobicContact CG1-CD1 4.17Å; V408-L593 HydrophobicContact CG2-CD1 4.44Å; V408-L593 HydrophobicContact CG2-CD2 4.19Å |
| 409 | Y | 94.9 | Very high | 93 | Very high | 39 Ų | 39 | 32.7 Ų | 32.7 | 15% | 0.153 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.4 | -45.8 | 175.5 | 165.9 | -97.6 | 0 | 0 | 0 | 112.4 | C405 H406 A411 V412 S413 Q452 I455 E456 M461 | C405-Y409 PolarHBondContact O-N 3.42Å; H406-Y409 WeakPolarHBondContact O-CB 3.43Å; H406-Y409 PolarHBondContact O-N 2.93Å; Y409-A411 PolarHBondContact O-N 2.85Å; Y409-V412 PolarHBondContact O-N 3.12Å; Y409-S413 WeakPolarHBondContact O-CB 3.37Å; Y409-S413 PolarHBondContact O-N 3.1Å; Y409-S413 PolarHBondContact O-OG 3.24Å; Y409-Q452 HydrophobicContact CD2-CB 4.17Å; Y409-Q452 HydrophobicContact CD2-CG 4.05Å; Y409-Q452 HydrophobicContact CE2-CB 4.12Å; Y409-Q452 HydrophobicContact CE2-CG 4.26Å; Y409-I455 HydrophobicContact CD1-CG2 4.47Å; Y409-I455 HydrophobicContact CD2-CB 4.16Å; Y409-I455 HydrophobicContact CD2-CG2 4.16Å; Y409-I455 HydrophobicContact CG-CB 4.37Å; Y409-I455 HydrophobicContact CG-CG2 3.94Å; Y409-E456 HydrophobicContact CE2-CG 3.64Å; Y409-E456 PolarHBondContact OH-OE1 3.19Å; Y409-E456 VanDerWaalsContact OH-OE1 3.1Å; Y409-M461 HydrophobicContact CE1-CE 4.07Å |
| 410 | Q | 93.2 | Very high | 93.6 | Very high | 89 Ų | 89 | 33.3 Ų | 33.3 | 42% | 0.416 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.9 | -44 | 175.3 | -72.4 | -178.5 | -43.6 | 0 | 0 | 112.1 | H406 V408 S413 H414 | H406-Q410 PolarHBondContact CE1-NE2 2.95Å; H406-Q410 WeakPolarHBondContact O-CG 3.29Å; H406-Q410 PolarHBondContact O-N 3.03Å; V408-Q410 VanDerWaalsContact C-N 3.33Å; V408-Q410 PolarHBondContact O-N 3.32Å; Q410-S413 WeakPolarHBondContact O-CB 3.24Å; Q410-S413 PolarHBondContact O-N 3.3Å; Q410-H414 PolarHBondContact O-CD2 3.45Å; Q410-H414 PolarHBondContact O-N 3.4Å |
| 411 | A | 94.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.8 | -47.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F385 P386 L388 R407 V408 Y409 S413 H414 | F385-A411 HydrophobicContact CD1-CB 4.05Å; F385-A411 HydrophobicContact CE1-CB 4.43Å; F385-A411 VanDerWaalsContact CE1-O 3.29Å; F385-A411 WeakPolarHBondContact CE1-O 3.33Å; P386-A411 HydrophobicContact CG-CB 4.16Å; L388-A411 HydrophobicContact CD2-CB 3.94Å; R407-A411 PolarHBondContact O-N 3.19Å; R407-A411 VanDerWaalsContact O-N 3.1Å; V408-A411 WeakPolarHBondContact O-CB 3.41Å; V408-A411 PolarHBondContact O-N 3.35Å; V408-A411 VanDerWaalsContact O-N 3.11Å; Y409-A411 PolarHBondContact O-N 2.85Å; A411-S413 VanDerWaalsContact C-N 3.28Å; A411-S413 PolarHBondContact O-N 2.87Å; A411-H414 PolarHBondContact O-N 2.76Å; A411-H414 VanDerWaalsContact O-N 3.13Å |
| 412 | V | 95.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.2 | -37.9 | 177.7 | 173.8 | 0 | 0 | 0 | 0 | 111 | V408 Y409 H414 I415 F448 Q452 | V408-V412 HydrophobicContact CG1-CG2 4.21Å; V408-V412 WeakPolarHBondContact O-CG2 3.39Å; V408-V412 PolarHBondContact O-N 3.48Å; Y409-V412 PolarHBondContact O-N 3.12Å; V412-H414 PolarHBondContact O-N 2.92Å; V412-I415 HydrophobicContact CB-CD1 4.37Å; V412-I415 HydrophobicContact CG1-CD1 4.17Å; V412-I415 HydrophobicContact CG2-CD1 4.48Å; V412-I415 WeakPolarHBondContact O-CB 3.12Å; V412-I415 WeakPolarHBondContact O-CG1 3.48Å; V412-I415 PolarHBondContact O-N 3.42Å; V412-F448 HydrophobicContact CB-CB 4.41Å; V412-F448 HydrophobicContact CG1-CB 3.46Å; V412-F448 VanDerWaalsContact CG1-CB 3.46Å; V412-F448 HydrophobicContact CG1-CD2 4.42Å; V412-F448 HydrophobicContact CG1-CG 4.05Å; V412-F448 HydrophobicContact CG2-CB 4.03Å; V412-F448 HydrophobicContact CG2-CD1 3.9Å; V412-F448 HydrophobicContact CG2-CD2 3.9Å; V412-F448 HydrophobicContact CG2-CE1 4.3Å; V412-F448 HydrophobicContact CG2-CE2 4.34Å; V412-F448 HydrophobicContact CG2-CG 3.69Å; V412-Q452 HydrophobicContact CB-CG 4.44Å; V412-Q452 HydrophobicContact CG1-CG 3.79Å |
| 413 | S | 94.4 | Very high | 94.3 | Very high | 43 Ų | 43 | 34.7 Ų | 34.7 | 30% | 0.301 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.9 | -15.6 | 178.4 | -57.8 | 0 | 0 | 0 | 0 | 113.6 | Y409 Q410 A411 Q452 | Y409-S413 WeakPolarHBondContact O-CB 3.37Å; Y409-S413 PolarHBondContact O-N 3.1Å; Y409-S413 PolarHBondContact O-OG 3.24Å; Q410-S413 WeakPolarHBondContact O-CB 3.24Å; Q410-S413 PolarHBondContact O-N 3.3Å; A411-S413 VanDerWaalsContact C-N 3.28Å; A411-S413 PolarHBondContact O-N 2.87Å; S413-Q452 PolarHBondContact OG-NE2 3.49Å |
| 414 | H | 94.7 | Very high | 94.3 | Very high | 41 Ų | 41 | 34.5 Ų | 34.5 | 19% | 0.19 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -12.1 | 175.5 | -64 | -40.6 | 0 | 0 | 0 | 114.1 | R384 F385 Q410 A411 V412 P416 A417 L418 | R384-H414 VanDerWaalsContact CB-CD2 3.45Å; R384-H414 WeakPolarHBondContact CB-CD2 3.42Å; R384-H414 WeakPolarHBondContact CD-NE2 3.25Å; F385-H414 HydrophobicContact CE2-CB 4.12Å; F385-H414 HydrophobicContact CZ-CB 3.95Å; Q410-H414 PolarHBondContact O-CD2 3.45Å; Q410-H414 PolarHBondContact O-N 3.4Å; A411-H414 PolarHBondContact O-N 2.76Å; A411-H414 VanDerWaalsContact O-N 3.13Å; V412-H414 PolarHBondContact O-N 2.92Å; H414-P416 VanDerWaalsContact C-CD 3.49Å; H414-A417 PolarHBondContact O-N 3.44Å; H414-L418 PolarHBondContact O-N 3.41Å; H414-L418 VanDerWaalsContact O-N 3.13Å |
| 415 | I | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56 | -45.4 | 177.6 | -63.3 | 173.7 | 0 | 0 | 0 | 112.3 | F385 V412 A417 L418 I419 L441 Q445 L596 | F385-I415 HydrophobicContact CE1-CG1 4.4Å; V412-I415 HydrophobicContact CB-CD1 4.37Å; V412-I415 HydrophobicContact CG1-CD1 4.17Å; V412-I415 HydrophobicContact CG2-CD1 4.48Å; V412-I415 WeakPolarHBondContact O-CB 3.12Å; V412-I415 WeakPolarHBondContact O-CG1 3.48Å; V412-I415 PolarHBondContact O-N 3.42Å; I415-A417 VanDerWaalsContact C-N 3.32Å; I415-A417 PolarHBondContact O-N 2.87Å; I415-L418 WeakPolarHBondContact O-CB 3.49Å; I415-L418 PolarHBondContact O-N 3.05Å; I415-L418 VanDerWaalsContact O-N 3.1Å; I415-I419 HydrophobicContact CG2-CD1 3.73Å; I415-I419 HydrophobicContact CG2-CG1 4.23Å; I415-I419 WeakPolarHBondContact O-CG1 3.36Å; I415-I419 PolarHBondContact O-N 3.23Å; I415-L441 HydrophobicContact CG2-CB 4.22Å; I415-L441 HydrophobicContact CG2-CD2 4.45Å; I415-Q445 HydrophobicContact CG2-CB 3.99Å; I415-Q445 HydrophobicContact CG2-CG 4.49Å; I415-L596 HydrophobicContact CD1-CD1 3.9Å; I415-L596 HydrophobicContact CD1-CD2 3.96Å; I415-L596 HydrophobicContact CG1-CD1 4.29Å |
| 416 | P | 95.7 | Very high | 94.1 | Very high | 46 Ų | 46 | 40.2 Ų | 40.2 | 30% | 0.299 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63 | -38.3 | -178.3 | -21.1 | 32.4 | 0 | 0 | 0 | 113.1 | H414 L418 I419 T420 | H414-P416 VanDerWaalsContact C-CD 3.49Å; P416-L418 VanDerWaalsContact C-N 3.31Å; P416-L418 PolarHBondContact O-N 3.09Å; P416-I419 PolarHBondContact O-N 3.23Å; P416-T420 WeakPolarHBondContact O-CB 3.41Å; P416-T420 PolarHBondContact O-N 3.04Å; P416-T420 PolarHBondContact O-OG1 3.49Å |
| 417 | A | 95.6 | Very high | 93.9 | Very high | 45 Ų | 45 | 40.9 Ų | 40.9 | 37% | 0.372 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.1 | -36.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L381 H414 I415 T420 A421 | L381-A417 HydrophobicContact CD2-CB 3.97Å; H414-A417 PolarHBondContact O-N 3.44Å; I415-A417 VanDerWaalsContact C-N 3.32Å; I415-A417 PolarHBondContact O-N 2.87Å; A417-T420 PolarHBondContact O-N 3.35Å; A417-A421 WeakPolarHBondContact O-CB 3.38Å; A417-A421 PolarHBondContact O-N 2.97Å |
| 418 | L | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68 | -44.2 | 176.2 | -169.6 | 64.1 | 0 | 0 | 0 | 112.3 | L381 F385 H414 I415 P416 T420 A421 L422 L441 I600 L603 | L381-L418 HydrophobicContact CB-CD1 4.22Å; L381-L418 HydrophobicContact CD1-CB 4.28Å; L381-L418 HydrophobicContact CD1-CD1 3.76Å; F385-L418 HydrophobicContact CE2-CD2 4.33Å; F385-L418 HydrophobicContact CZ-CD2 4.23Å; H414-L418 PolarHBondContact O-N 3.41Å; H414-L418 VanDerWaalsContact O-N 3.13Å; I415-L418 WeakPolarHBondContact O-CB 3.49Å; I415-L418 PolarHBondContact O-N 3.05Å; I415-L418 VanDerWaalsContact O-N 3.1Å; P416-L418 VanDerWaalsContact C-N 3.31Å; P416-L418 PolarHBondContact O-N 3.09Å; L418-T420 VanDerWaalsContact C-N 3.34Å; L418-T420 PolarHBondContact O-N 3.05Å; L418-A421 PolarHBondContact O-N 3.14Å; L418-L422 HydrophobicContact CG-CD1 4.24Å; L418-L422 WeakPolarHBondContact O-CG 3.34Å; L418-L422 PolarHBondContact O-N 3.16Å; L418-L441 HydrophobicContact CD2-CD1 3.78Å; L418-L441 HydrophobicContact CD2-CD2 4.46Å; L418-L441 HydrophobicContact CG-CD1 4.14Å; L418-I600 HydrophobicContact CD2-CD1 3.57Å; L418-L603 HydrophobicContact CD1-CD2 3.89Å; L418-L603 HydrophobicContact CD2-CD2 3.75Å; L418-L603 HydrophobicContact CG-CD2 4.11Å |
| 419 | I | 96.2 | Very high | 93.7 | Very high | 13 Ų | 13 | 42.6 Ų | 42.6 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.5 | -49.1 | 173.3 | -70.7 | 170.3 | 0 | 0 | 0 | 109.9 | I415 P416 A421 L422 E423 T438 L441 A442 | I415-I419 HydrophobicContact CG2-CD1 3.73Å; I415-I419 HydrophobicContact CG2-CG1 4.23Å; I415-I419 WeakPolarHBondContact O-CG1 3.36Å; I415-I419 PolarHBondContact O-N 3.23Å; P416-I419 PolarHBondContact O-N 3.23Å; I419-A421 VanDerWaalsContact C-N 3.33Å; I419-A421 PolarHBondContact O-N 3.17Å; I419-L422 PolarHBondContact O-N 3.07Å; I419-L422 VanDerWaalsContact O-N 3.15Å; I419-E423 HydrophobicContact CG2-CG 4.25Å; I419-E423 WeakPolarHBondContact O-CB 3.28Å; I419-E423 WeakPolarHBondContact O-CG 3.25Å; I419-E423 PolarHBondContact O-N 2.71Å; I419-T438 HydrophobicContact CG2-CG2 3.94Å; I419-L441 HydrophobicContact CD1-CB 4.04Å; I419-L441 HydrophobicContact CG1-CB 3.82Å; I419-L441 HydrophobicContact CG1-CD1 4.48Å; I419-A442 HydrophobicContact CD1-CB 4.28Å |
| 420 | T | 95.8 | Very high | 93.5 | Very high | 91 Ų | 91 | 45.8 Ų | 45.8 | 56% | 0.558 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.8 | -43 | 179.9 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | P416 A417 L418 E423 S424 | P416-T420 WeakPolarHBondContact O-CB 3.41Å; P416-T420 PolarHBondContact O-N 3.04Å; P416-T420 PolarHBondContact O-OG1 3.49Å; A417-T420 PolarHBondContact O-N 3.35Å; L418-T420 VanDerWaalsContact C-N 3.34Å; L418-T420 PolarHBondContact O-N 3.05Å; T420-E423 PolarHBondContact O-N 3.37Å; T420-S424 PolarHBondContact O-N 2.88Å; T420-S424 VanDerWaalsContact O-N 3.11Å |
| 421 | A | 94.7 | Very high | 93.6 | Very high | 12 Ų | 12 | 47.2 Ų | 47.2 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L373 T376 L381 A417 L418 I419 S424 | L373-A421 HydrophobicContact CD1-CB 4.41Å; L373-A421 WeakPolarHBondContact CD1-O 3.34Å; T376-A421 HydrophobicContact CG2-CB 4.19Å; L381-A421 HydrophobicContact CD1-CB 4.11Å; A417-A421 WeakPolarHBondContact O-CB 3.38Å; A417-A421 PolarHBondContact O-N 2.97Å; L418-A421 PolarHBondContact O-N 3.14Å; I419-A421 VanDerWaalsContact C-N 3.33Å; I419-A421 PolarHBondContact O-N 3.17Å; A421-S424 WeakPolarHBondContact O-CB 3.48Å; A421-S424 PolarHBondContact O-N 2.65Å; A421-S424 PolarHBondContact O-OG 3.02Å |
| 422 | L | 94.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.8 | -38 | 178.3 | -69.9 | 165.8 | 0 | 0 | 0 | 112.9 | F367 L373 L418 I419 S424 Y425 F437 L441 L603 | F367-L422 HydrophobicContact CZ-CD2 4.17Å; L373-L422 HydrophobicContact CD1-CD2 4.12Å; L418-L422 HydrophobicContact CG-CD1 4.24Å; L418-L422 WeakPolarHBondContact O-CG 3.34Å; L418-L422 PolarHBondContact O-N 3.16Å; I419-L422 PolarHBondContact O-N 3.07Å; I419-L422 VanDerWaalsContact O-N 3.15Å; L422-S424 VanDerWaalsContact C-N 3.31Å; L422-S424 PolarHBondContact O-N 2.94Å; L422-Y425 VanDerWaalsContact O-CB 3.32Å; L422-Y425 WeakPolarHBondContact O-CB 3.45Å; L422-Y425 PolarHBondContact O-N 3.32Å; L422-F437 HydrophobicContact CD1-CB 3.91Å; L422-L441 HydrophobicContact CD1-CD1 3.8Å; L422-L603 HydrophobicContact CD2-CD1 4.2Å |
| 423 | E | 93.7 | Very high | 93.5 | Very high | 99 Ų | 99 | 49.1 Ų | 49.1 | 46% | 0.463 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71.5 | -25.7 | 179.1 | -74.2 | -178 | 163.7 | 0 | 0 | 113.6 | I419 T420 Y425 T438 | I419-E423 HydrophobicContact CG2-CG 4.25Å; I419-E423 WeakPolarHBondContact O-CB 3.28Å; I419-E423 WeakPolarHBondContact O-CG 3.25Å; I419-E423 PolarHBondContact O-N 2.71Å; T420-E423 PolarHBondContact O-N 3.37Å; E423-Y425 PolarHBondContact O-N 2.89Å; E423-T438 HydrophobicContact CG-CG2 3.73Å |
| 424 | S | 92.3 | Very high | 93.5 | Very high | 73 Ų | 73 | 51.7 Ų | 51.7 | 51% | 0.51 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.2 | -22.2 | 175.9 | 78.2 | 0 | 0 | 0 | 0 | 112.6 | T420 A421 L422 S426 | T420-S424 PolarHBondContact O-N 2.88Å; T420-S424 VanDerWaalsContact O-N 3.11Å; A421-S424 WeakPolarHBondContact O-CB 3.48Å; A421-S424 PolarHBondContact O-N 2.65Å; A421-S424 PolarHBondContact O-OG 3.02Å; L422-S424 VanDerWaalsContact C-N 3.31Å; L422-S424 PolarHBondContact O-N 2.94Å; S424-S426 PolarHBondContact O-N 3.18Å |
| 425 | Y | 92.3 | Very high | 93.5 | Very high | 9 Ų | 9 | 52.7 Ų | 52.7 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | trans | -61.8 | 127.5 | 174.6 | -178.2 | -99.3 | 0 | 0 | 0 | 111.4 | D370 L373 L422 E423 G427 Y429 K430 L433 | D370-Y425 HydrophobicContact CB-CD2 3.81Å; D370-Y425 HydrophobicContact CB-CE2 3.9Å; D370-Y425 WeakPolarHBondContact OD2-CD2 3.31Å; L373-Y425 HydrophobicContact CD2-CD2 4.12Å; L373-Y425 HydrophobicContact CD2-CG 4.43Å; L422-Y425 VanDerWaalsContact O-CB 3.32Å; L422-Y425 WeakPolarHBondContact O-CB 3.45Å; L422-Y425 PolarHBondContact O-N 3.32Å; E423-Y425 PolarHBondContact O-N 2.89Å; Y425-G427 VanDerWaalsContact CE1-CA 3.44Å; Y425-G427 VanDerWaalsContact CE1-N 3.33Å; Y425-G427 VanDerWaalsContact CZ-CA 3.43Å; Y425-G427 WeakPolarHBondContact OH-CA 3.48Å; Y425-Y429 WeakPolarHBondContact OH-CD2 3.46Å; Y425-K430 HydrophobicContact CD1-CB 4.06Å; Y425-K430 HydrophobicContact CE1-CB 4.34Å; Y425-K430 WeakPolarHBondContact O-CD 3.32Å; Y425-L433 HydrophobicContact CD1-CD1 3.56Å; Y425-L433 HydrophobicContact CD2-CD1 4.46Å; Y425-L433 HydrophobicContact CE1-CD1 3.96Å; Y425-L433 HydrophobicContact CG-CD1 3.83Å | ||
| 426 | S | 88.1 | Confident | 93.5 | Very high | 113 Ų | 113 | 53.9 Ų | 53.9 | 79% | 0.79 | 33% | 0.33 | S | S | * | . | trans | -116.6 | 7.9 | -176.2 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | S424 | S424-S426 PolarHBondContact O-N 3.18Š| ||
| 427 | G | 89 | Confident | 93.5 | Very high | 31 Ų | 31 | 51.7 Ų | 51.7 | 32% | 0.32 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -81.6 | -175.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y425 Y429 K430 | Y425-G427 VanDerWaalsContact CE1-CA 3.44Å; Y425-G427 VanDerWaalsContact CE1-N 3.33Å; Y425-G427 VanDerWaalsContact CZ-CA 3.43Å; Y425-G427 WeakPolarHBondContact OH-CA 3.48Å; G427-Y429 VanDerWaalsContact C-N 3.28Å; G427-Y429 PolarHBondContact O-N 2.91Å; G427-K430 WeakPolarHBondContact O-CB 3.22Å; G427-K430 PolarHBondContact O-N 3.08Å |
| 428 | S | 90.1 | Very high | 93.5 | Very high | 100 Ų | 100 | 49.8 Ų | 49.8 | 70% | 0.699 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -30.4 | -174.8 | 44.1 | 0 | 0 | 0 | 0 | 114.2 | K430 | S428-K430 VanDerWaalsContact C-N 3.3Å; S428-K430 PolarHBondContact O-N 3.21Å |
| 429 | Y | 92.5 | Very high | 93.6 | Very high | 46 Ų | 46 | 51.9 Ų | 51.9 | 18% | 0.18 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 10.1 | -175.6 | -53.6 | -71 | 0 | 0 | 0 | 114.2 | D362 E365 Y425 G427 V431 L432 L433 | D362-Y429 HydrophobicContact CB-CD1 3.64Å; D362-Y429 HydrophobicContact CB-CE1 3.75Å; D362-Y429 HydrophobicContact CB-CG 4.49Å; D362-Y429 VanDerWaalsContact OD1-CE1 3.29Å; D362-Y429 WeakPolarHBondContact OD1-CE1 3.18Å; E365-Y429 HydrophobicContact CB-CE2 3.97Å; E365-Y429 VanDerWaalsContact CD-OH 3.26Å; E365-Y429 HydrophobicContact CG-CE2 3.75Å; E365-Y429 PolarHBondContact OE2-OH 3.41Å; Y425-Y429 WeakPolarHBondContact OH-CD2 3.46Å; G427-Y429 VanDerWaalsContact C-N 3.28Å; G427-Y429 PolarHBondContact O-N 2.91Å; Y429-V431 VanDerWaalsContact C-N 3.29Å; Y429-V431 PolarHBondContact O-N 2.76Å; Y429-L432 PolarHBondContact O-N 2.78Å; Y429-L432 VanDerWaalsContact O-N 3.08Å; Y429-L433 PolarHBondContact O-N 3.4Å |
| 430 | K | 91.3 | Very high | 93.6 | Very high | 105 Ų | 105 | 53 Ų | 53 | 46% | 0.457 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.7 | -41.4 | -175.8 | -178.7 | 174.2 | -175.7 | 154.8 | 0 | 113.1 | Y425 G427 S428 L432 L433 H434 | Y425-K430 HydrophobicContact CD1-CB 4.06Å; Y425-K430 HydrophobicContact CE1-CB 4.34Å; Y425-K430 WeakPolarHBondContact O-CD 3.32Å; G427-K430 WeakPolarHBondContact O-CB 3.22Å; G427-K430 PolarHBondContact O-N 3.08Å; S428-K430 VanDerWaalsContact C-N 3.3Å; S428-K430 PolarHBondContact O-N 3.21Å; K430-L432 VanDerWaalsContact C-N 3.32Å; K430-L432 PolarHBondContact O-N 3.32Å; K430-L433 PolarHBondContact O-N 3.45Å; K430-H434 WeakPolarHBondContact O-CB 3.33Å; K430-H434 PolarHBondContact O-N 3.06Å |
| 431 | V | 94.4 | Very high | 93.6 | Very high | 120 Ų | 120 | 48.6 Ų | 48.6 | 73% | 0.727 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64 | -40.6 | -179.8 | 179.7 | 0 | 0 | 0 | 0 | 111 | Y429 H434 A435 | Y429-V431 VanDerWaalsContact C-N 3.29Å; Y429-V431 PolarHBondContact O-N 2.76Å; V431-H434 PolarHBondContact O-N 3.29Å; V431-A435 WeakPolarHBondContact O-CB 3.3Å; V431-A435 PolarHBondContact O-N 3.32Å |
| 432 | L | 94.1 | Very high | 93.7 | Very high | 40 Ų | 40 | 49.8 Ų | 49.8 | 21% | 0.209 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.6 | -47.2 | 178.1 | -177.7 | 65 | 0 | 0 | 0 | 111.2 | E359 D362 L363 Y429 K430 H434 A435 V436 | E359-L432 HydrophobicContact CG-CD1 3.97Å; E359-L432 HydrophobicContact CG-CD2 4.22Å; D362-L432 HydrophobicContact CB-CD2 3.52Å; L363-L432 HydrophobicContact CD2-CD2 3.82Å; L363-L432 HydrophobicContact CD2-CG 3.84Å; L363-L432 HydrophobicContact CG-CD2 4.07Å; Y429-L432 PolarHBondContact O-N 2.78Å; Y429-L432 VanDerWaalsContact O-N 3.08Å; K430-L432 VanDerWaalsContact C-N 3.32Å; K430-L432 PolarHBondContact O-N 3.32Å; L432-H434 PolarHBondContact O-N 2.94Å; L432-A435 PolarHBondContact O-N 3.26Å; L432-V436 HydrophobicContact CD1-CG2 3.73Å; L432-V436 HydrophobicContact CG-CG2 4.26Å; L432-V436 WeakPolarHBondContact O-CB 3.41Å; L432-V436 WeakPolarHBondContact O-CG2 3.2Å; L432-V436 PolarHBondContact O-N 3.03Å |
| 433 | L | 93.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.9 | -37.7 | 174.6 | -75.7 | 177.6 | 0 | 0 | 0 | 112.2 | L363 F367 L373 Y425 Y429 K430 F437 T438 | L363-L433 HydrophobicContact CD2-CD2 3.94Å; F367-L433 HydrophobicContact CE2-CD2 4.14Å; F367-L433 HydrophobicContact CZ-CD2 4.47Å; L373-L433 HydrophobicContact CD2-CD1 4.43Å; Y425-L433 HydrophobicContact CD1-CD1 3.56Å; Y425-L433 HydrophobicContact CD2-CD1 4.46Å; Y425-L433 HydrophobicContact CE1-CD1 3.96Å; Y425-L433 HydrophobicContact CG-CD1 3.83Å; Y429-L433 PolarHBondContact O-N 3.4Å; K430-L433 PolarHBondContact O-N 3.45Å; L433-F437 HydrophobicContact CD2-CD2 3.75Å; L433-F437 HydrophobicContact CD2-CE2 4.03Å; L433-F437 WeakPolarHBondContact O-CB 3.42Å; L433-F437 PolarHBondContact O-N 2.96Å; L433-T438 PolarHBondContact O-N 3.46Å; L433-T438 VanDerWaalsContact O-N 3.08Å; L433-T438 PolarHBondContact O-OG1 3.33Å |
| 434 | H | 94.1 | Very high | 93.8 | Very high | 96 Ų | 96 | 49.7 Ų | 49.7 | 44% | 0.444 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -65.6 | -48.5 | 175.8 | -177.4 | -81 | 0 | 0 | 0 | 111.6 | K430 V431 L432 T438 S439 | K430-H434 WeakPolarHBondContact O-CB 3.33Å; K430-H434 PolarHBondContact O-N 3.06Å; V431-H434 PolarHBondContact O-N 3.29Å; L432-H434 PolarHBondContact O-N 2.94Å; H434-T438 PolarHBondContact O-N 3.5Å; H434-S439 WeakPolarHBondContact O-CB 3.35Å; H434-S439 PolarHBondContact O-N 2.86Å |
| 435 | A | 95.3 | Very high | 93.9 | Very high | 63 Ų | 63 | 49.1 Ų | 49.1 | 52% | 0.521 | 30% | 0.297 | S | S | . | . | I | π-helix | trans | -66.5 | -40.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V431 L432 P440 | V431-A435 WeakPolarHBondContact O-CB 3.3Å; V431-A435 PolarHBondContact O-N 3.32Å; L432-A435 PolarHBondContact O-N 3.26Å; A435-P440 WeakPolarHBondContact O-CD 3.47Å |
| 436 | V | 95.2 | Very high | 94.1 | Very high | 25 Ų | 25 | 52.7 Ų | 52.7 | 15% | 0.152 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -86.3 | -35.9 | -173.7 | 177.9 | 0 | 0 | 0 | 0 | 112.6 | L363 L432 P440 | L363-V436 HydrophobicContact CD1-CG1 4.23Å; L432-V436 HydrophobicContact CD1-CG2 3.73Å; L432-V436 HydrophobicContact CG-CG2 4.26Å; L432-V436 WeakPolarHBondContact O-CB 3.41Å; L432-V436 WeakPolarHBondContact O-CG2 3.2Å; L432-V436 PolarHBondContact O-N 3.03Å; V436-P440 WeakPolarHBondContact O-CG 3.4Å |
| 437 | F | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -119.2 | -53.4 | -174.1 | -61.1 | -58.6 | 0 | 0 | 0 | 113.5 | L363 L422 L433 P440 L441 V599 Q602 L603 V606 | L363-F437 HydrophobicContact CD1-CE2 4.16Å; L363-F437 HydrophobicContact CD1-CZ 4.2Å; L363-F437 HydrophobicContact CD2-CD2 4.43Å; L363-F437 HydrophobicContact CD2-CE2 3.82Å; L363-F437 HydrophobicContact CG-CE2 4.49Å; L422-F437 HydrophobicContact CD1-CB 3.91Å; L433-F437 HydrophobicContact CD2-CD2 3.75Å; L433-F437 HydrophobicContact CD2-CE2 4.03Å; L433-F437 WeakPolarHBondContact O-CB 3.42Å; L433-F437 PolarHBondContact O-N 2.96Å; F437-P440 WeakPolarHBondContact O-CD 3.44Å; F437-L441 VanDerWaalsContact O-CB 3.25Å; F437-L441 WeakPolarHBondContact O-CB 3.27Å; F437-L441 WeakPolarHBondContact O-CD1 3.21Å; F437-L441 WeakPolarHBondContact O-CG 3.42Å; F437-L441 PolarHBondContact O-N 3.37Å; F437-V599 HydrophobicContact CD1-CG1 4.1Å; F437-Q602 HydrophobicContact CE1-CB 4.08Å; F437-Q602 HydrophobicContact CE1-CG 3.94Å; F437-Q602 HydrophobicContact CZ-CG 4.02Å; F437-L603 HydrophobicContact CD1-CB 4.06Å; F437-L603 HydrophobicContact CD1-CD1 4.3Å; F437-L603 HydrophobicContact CD2-CD1 4.05Å; F437-L603 HydrophobicContact CE1-CB 3.71Å; F437-L603 HydrophobicContact CE1-CD1 4.23Å; F437-L603 HydrophobicContact CE2-CD1 3.95Å; F437-L603 HydrophobicContact CG-CD1 4.22Å; F437-L603 HydrophobicContact CZ-CB 4.13Å; F437-L603 HydrophobicContact CZ-CD1 4.05Å; F437-V606 HydrophobicContact CE2-CG2 4.26Å; F437-V606 HydrophobicContact CZ-CG2 4.03Å |
| 438 | T | 95.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -67 | -46.6 | -168.8 | -47.3 | 0 | 0 | 0 | 0 | 111.9 | I419 E423 L433 H434 L441 A442 | I419-T438 HydrophobicContact CG2-CG2 3.94Å; E423-T438 HydrophobicContact CG-CG2 3.73Å; L433-T438 PolarHBondContact O-N 3.46Å; L433-T438 VanDerWaalsContact O-N 3.08Å; L433-T438 PolarHBondContact O-OG1 3.33Å; H434-T438 PolarHBondContact O-N 3.5Å; T438-L441 PolarHBondContact O-N 3.43Å; T438-A442 WeakPolarHBondContact O-CB 3.36Å; T438-A442 PolarHBondContact O-N 2.84Å |
| 439 | S | 96.2 | Very high | 95 | Very high | 44 Ų | 44 | 48.5 Ų | 48.5 | 31% | 0.308 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.5 | -49.6 | 178.8 | -176.2 | 0 | 0 | 0 | 0 | 112 | H434 L441 A442 D443 | H434-S439 WeakPolarHBondContact O-CB 3.35Å; H434-S439 PolarHBondContact O-N 2.86Å; S439-L441 VanDerWaalsContact C-N 3.32Å; S439-L441 PolarHBondContact O-N 3.47Å; S439-A442 PolarHBondContact O-N 3.18Å; S439-D443 PolarHBondContact O-N 2.99Å |
| 440 | P | 96.6 | Very high | 95.1 | Very high | 36 Ų | 36 | 53.4 Ų | 53.4 | 23% | 0.234 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.5 | -37.9 | 175 | -27.8 | 37.8 | 0 | 0 | 0 | 113.9 | A435 V436 F437 D443 L444 V599 | A435-P440 WeakPolarHBondContact O-CD 3.47Å; V436-P440 WeakPolarHBondContact O-CG 3.4Å; F437-P440 WeakPolarHBondContact O-CD 3.44Å; P440-D443 PolarHBondContact O-N 2.93Å; P440-L444 WeakPolarHBondContact O-CB 3.32Å; P440-L444 WeakPolarHBondContact O-CD1 3.28Å; P440-L444 WeakPolarHBondContact O-CG 3.15Å; P440-L444 PolarHBondContact O-N 2.91Å; P440-V599 HydrophobicContact CB-CG2 4.19Å |
| 441 | L | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.2 | -37 | 176.3 | -73 | 172 | 0 | 0 | 0 | 112.2 | I415 L418 I419 L422 F437 T438 S439 L444 Q445 L596 V599 I600 | I415-L441 HydrophobicContact CG2-CB 4.22Å; I415-L441 HydrophobicContact CG2-CD2 4.45Å; L418-L441 HydrophobicContact CD2-CD1 3.78Å; L418-L441 HydrophobicContact CD2-CD2 4.46Å; L418-L441 HydrophobicContact CG-CD1 4.14Å; I419-L441 HydrophobicContact CD1-CB 4.04Å; I419-L441 HydrophobicContact CG1-CB 3.82Å; I419-L441 HydrophobicContact CG1-CD1 4.48Å; L422-L441 HydrophobicContact CD1-CD1 3.8Å; F437-L441 VanDerWaalsContact O-CB 3.25Å; F437-L441 WeakPolarHBondContact O-CB 3.27Å; F437-L441 WeakPolarHBondContact O-CD1 3.21Å; F437-L441 WeakPolarHBondContact O-CG 3.42Å; F437-L441 PolarHBondContact O-N 3.37Å; T438-L441 PolarHBondContact O-N 3.43Å; S439-L441 VanDerWaalsContact C-N 3.32Å; S439-L441 PolarHBondContact O-N 3.47Å; L441-L444 PolarHBondContact O-N 2.91Å; L441-Q445 WeakPolarHBondContact O-CB 3.15Å; L441-Q445 PolarHBondContact O-N 3.39Å; L441-L596 HydrophobicContact CD2-CD1 3.76Å; L441-V599 HydrophobicContact CD2-CG1 3.92Å; L441-V599 HydrophobicContact CG-CG1 3.98Å; L441-I600 HydrophobicContact CD2-CD1 4.4Å |
| 442 | A | 96.2 | Very high | 95.3 | Very high | 37 Ų | 37 | 44.5 Ų | 44.5 | 31% | 0.306 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.2 | -43.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I419 T438 S439 L444 Q445 T446 | I419-A442 HydrophobicContact CD1-CB 4.28Å; T438-A442 WeakPolarHBondContact O-CB 3.36Å; T438-A442 PolarHBondContact O-N 2.84Å; S439-A442 PolarHBondContact O-N 3.18Å; A442-L444 PolarHBondContact O-N 2.81Å; A442-Q445 WeakPolarHBondContact O-CB 3.29Å; A442-Q445 PolarHBondContact O-N 3.3Å; A442-T446 WeakPolarHBondContact O-CG2 3.22Å; A442-T446 PolarHBondContact O-N 3.06Å; A442-T446 VanDerWaalsContact O-N 3.08Å |
| 443 | D | 96 | Very high | 95.3 | Very high | 93 Ų | 93 | 47.8 Ų | 47.8 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.6 | -48.4 | 174.8 | -65.8 | -26.3 | 0 | 0 | 0 | 110.4 | S439 P440 Q445 T446 D447 | S439-D443 PolarHBondContact O-N 2.99Å; P440-D443 PolarHBondContact O-N 2.93Å; D443-Q445 VanDerWaalsContact C-N 3.33Å; D443-Q445 PolarHBondContact O-N 2.99Å; D443-T446 PolarHBondContact O-N 2.56Å; D443-T446 VanDerWaalsContact O-N 3.07Å; D443-T446 PolarHBondContact O-OG1 3.32Å; D443-D447 PolarHBondContact O-N 2.9Å |
| 444 | L | 94.9 | Very high | 95.4 | Very high | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 176.6 | -72 | 167.6 | 0 | 0 | 0 | 112.7 | P440 L441 A442 T446 D447 F448 P592 T595 L596 | P440-L444 WeakPolarHBondContact O-CB 3.32Å; P440-L444 WeakPolarHBondContact O-CD1 3.28Å; P440-L444 WeakPolarHBondContact O-CG 3.15Å; P440-L444 PolarHBondContact O-N 2.91Å; L441-L444 PolarHBondContact O-N 2.91Å; A442-L444 PolarHBondContact O-N 2.81Å; L444-T446 VanDerWaalsContact C-N 3.27Å; L444-T446 PolarHBondContact O-N 3.21Å; L444-D447 PolarHBondContact O-N 2.81Å; L444-F448 HydrophobicContact CD2-CE2 4.46Å; L444-F448 WeakPolarHBondContact O-CD2 3.36Å; L444-F448 PolarHBondContact O-N 2.81Å; L444-F448 VanDerWaalsContact O-N 3.09Å; L444-P592 HydrophobicContact CD2-CB 4.09Å; L444-P592 WeakPolarHBondContact CD2-O 3.49Å; L444-T595 HydrophobicContact CD1-CG2 4.33Å; L444-T595 HydrophobicContact CD2-CG2 4.28Å; L444-L596 HydrophobicContact CD1-CB 3.92Å; L444-L596 HydrophobicContact CD1-CD1 3.94Å |
| 445 | Q | 94.7 | Very high | 95.3 | Very high | 62 Ų | 62 | 44.4 Ų | 44.4 | 29% | 0.29 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.7 | -44.7 | 174.3 | -174.8 | -173.2 | -6 | 0 | 0 | 110.3 | I415 L441 A442 D443 D447 F448 I449 | I415-Q445 HydrophobicContact CG2-CB 3.99Å; I415-Q445 HydrophobicContact CG2-CG 4.49Å; L441-Q445 WeakPolarHBondContact O-CB 3.15Å; L441-Q445 PolarHBondContact O-N 3.39Å; A442-Q445 WeakPolarHBondContact O-CB 3.29Å; A442-Q445 PolarHBondContact O-N 3.3Å; D443-Q445 VanDerWaalsContact C-N 3.33Å; D443-Q445 PolarHBondContact O-N 2.99Å; Q445-D447 VanDerWaalsContact C-N 3.34Å; Q445-D447 PolarHBondContact O-N 3.19Å; Q445-F448 PolarHBondContact O-N 3.46Å; Q445-I449 WeakPolarHBondContact O-CG1 3.11Å; Q445-I449 PolarHBondContact O-N 3.11Å |
| 446 | T | 95.5 | Very high | 95.2 | Very high | 83 Ų | 83 | 46.1 Ų | 46.1 | 51% | 0.509 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.2 | -37.4 | 178.4 | 64.2 | 0 | 0 | 0 | 0 | 112.8 | A442 D443 L444 F448 I449 | A442-T446 WeakPolarHBondContact O-CG2 3.22Å; A442-T446 PolarHBondContact O-N 3.06Å; A442-T446 VanDerWaalsContact O-N 3.08Å; D443-T446 PolarHBondContact O-N 2.56Å; D443-T446 VanDerWaalsContact O-N 3.07Å; D443-T446 PolarHBondContact O-OG1 3.32Å; L444-T446 VanDerWaalsContact C-N 3.27Å; L444-T446 PolarHBondContact O-N 3.21Å; T446-F448 VanDerWaalsContact C-N 3.31Å; T446-F448 PolarHBondContact O-N 3.11Å; T446-I449 PolarHBondContact O-N 3.1Å |
| 447 | D | 94.7 | Very high | 95 | Very high | 82 Ų | 82 | 48.7 Ų | 48.7 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 176.2 | -71.2 | -21.9 | 0 | 0 | 0 | 111.6 | D443 L444 Q445 Y589 P592 | D443-D447 PolarHBondContact O-N 2.9Å; L444-D447 PolarHBondContact O-N 2.81Å; Q445-D447 VanDerWaalsContact C-N 3.34Å; Q445-D447 PolarHBondContact O-N 3.19Å; D447-Y589 WeakPolarHBondContact O-CE1 3.39Å; D447-P592 HydrophobicContact CB-CB 4.5Å |
| 448 | F | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -86.7 | -2.3 | -176 | -73.9 | -71.1 | 0 | 0 | 0 | 115.7 | V412 L444 Q445 T446 K450 Y451 Q452 Y589 P592 L593 L596 | V412-F448 HydrophobicContact CB-CB 4.41Å; V412-F448 HydrophobicContact CG1-CB 3.46Å; V412-F448 VanDerWaalsContact CG1-CB 3.46Å; V412-F448 HydrophobicContact CG1-CD2 4.42Å; V412-F448 HydrophobicContact CG1-CG 4.05Å; V412-F448 HydrophobicContact CG2-CB 4.03Å; V412-F448 HydrophobicContact CG2-CD1 3.9Å; V412-F448 HydrophobicContact CG2-CD2 3.9Å; V412-F448 HydrophobicContact CG2-CE1 4.3Å; V412-F448 HydrophobicContact CG2-CE2 4.34Å; V412-F448 HydrophobicContact CG2-CG 3.69Å; L444-F448 HydrophobicContact CD2-CE2 4.46Å; L444-F448 WeakPolarHBondContact O-CD2 3.36Å; L444-F448 PolarHBondContact O-N 2.81Å; L444-F448 VanDerWaalsContact O-N 3.09Å; Q445-F448 PolarHBondContact O-N 3.46Å; T446-F448 VanDerWaalsContact C-N 3.31Å; T446-F448 PolarHBondContact O-N 3.11Å; F448-K450 VanDerWaalsContact C-N 3.34Å; F448-K450 PolarHBondContact O-N 3.25Å; F448-Y451 HydrophobicContact CD1-CD1 4.4Å; F448-Y451 HydrophobicContact CD1-CG 4.21Å; F448-Y451 WeakPolarHBondContact O-CA 3.29Å; F448-Y451 VanDerWaalsContact O-CB 3.3Å; F448-Y451 WeakPolarHBondContact O-CB 3.15Å; F448-Y451 PolarHBondContact O-N 2.62Å; F448-Q452 PolarHBondContact O-N 2.99Å; F448-Y589 HydrophobicContact CD1-CD1 4.04Å; F448-Y589 HydrophobicContact CE1-CD1 4.14Å; F448-Y589 HydrophobicContact CE1-CG 4.37Å; F448-P592 HydrophobicContact CE1-CB 4.36Å; F448-P592 HydrophobicContact CE2-CB 3.84Å; F448-P592 HydrophobicContact CZ-CB 3.66Å; F448-L593 HydrophobicContact CZ-CB 4.17Å; F448-L593 HydrophobicContact CZ-CD1 4.43Å; F448-L596 HydrophobicContact CE2-CD2 4.22Å |
| 449 | I | 95.6 | Very high | 94.5 | Very high | 75 Ų | 75 | 48.9 Ų | 48.9 | 39% | 0.385 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -53.8 | -50.6 | -179.9 | -68.4 | 172.8 | 0 | 0 | 0 | 111.2 | Q445 T446 Y451 Q452 E453 | Q445-I449 WeakPolarHBondContact O-CG1 3.11Å; Q445-I449 PolarHBondContact O-N 3.11Å; T446-I449 PolarHBondContact O-N 3.1Å; I449-Y451 PolarHBondContact O-N 2.66Å; I449-Q452 PolarHBondContact O-N 2.94Å; I449-Q452 VanDerWaalsContact O-N 3.15Å; I449-E453 HydrophobicContact CG2-CG 4.5Å; I449-E453 WeakPolarHBondContact O-CG 3.23Å; I449-E453 PolarHBondContact O-N 2.9Å |
| 450 | K | 95.3 | Very high | 94.2 | Very high | 149 Ų | 149 | 48.2 Ų | 48.2 | 65% | 0.648 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.7 | -32 | 179.4 | -68.5 | -179.6 | -178.3 | 174.6 | 0 | 112.6 | F448 M454 Y589 | F448-K450 VanDerWaalsContact C-N 3.34Å; F448-K450 PolarHBondContact O-N 3.25Å; K450-M454 WeakPolarHBondContact O-CB 3.47Å; K450-M454 PolarHBondContact O-N 3.23Å; K450-Y589 WeakPolarHBondContact CB-OH 3.36Å |
| 451 | Y | 95 | Very high | 93.6 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.9 | -44.7 | 175.4 | -178.4 | -89.2 | 0 | 0 | 0 | 110.9 | C405 V408 F448 I449 M454 I455 A586 Y589 | C405-Y451 VanDerWaalsContact CA-OH 3.31Å; C405-Y451 WeakPolarHBondContact CA-OH 3.38Å; C405-Y451 PolarHBondContact O-OH 3.37Å; C405-Y451 VanDerWaalsContact O-OH 3.13Å; V408-Y451 HydrophobicContact CB-CE1 4.08Å; V408-Y451 HydrophobicContact CG1-CD1 4.43Å; V408-Y451 HydrophobicContact CG1-CE1 3.7Å; F448-Y451 HydrophobicContact CD1-CD1 4.4Å; F448-Y451 HydrophobicContact CD1-CG 4.21Å; F448-Y451 WeakPolarHBondContact O-CA 3.29Å; F448-Y451 VanDerWaalsContact O-CB 3.3Å; F448-Y451 WeakPolarHBondContact O-CB 3.15Å; F448-Y451 PolarHBondContact O-N 2.62Å; I449-Y451 PolarHBondContact O-N 2.66Å; Y451-M454 HydrophobicContact CD2-CE 3.85Å; Y451-M454 HydrophobicContact CE2-CE 3.89Å; Y451-M454 PolarHBondContact O-N 3.32Å; Y451-I455 HydrophobicContact CD1-CG1 4.33Å; Y451-I455 HydrophobicContact CE1-CG1 3.89Å; Y451-I455 WeakPolarHBondContact O-CG1 3.38Å; Y451-I455 PolarHBondContact O-N 3.2Å; Y451-I455 VanDerWaalsContact O-N 3.12Å; Y451-A586 HydrophobicContact CE2-CB 3.77Å; Y451-Y589 AromaticContact CD2-CD2 3.78Å; Y451-Y589 HydrophobicContact CD2-CD2 3.78Å; Y451-Y589 HydrophobicContact CD2-CE2 4.06Å; Y451-Y589 HydrophobicContact CD2-CG 4.15Å |
| 452 | Q | 94.5 | Very high | 93 | Very high | 34 Ų | 34 | 54.9 Ų | 54.9 | 16% | 0.159 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 176.9 | -67.2 | -175.9 | -73.7 | 0 | 0 | 111.5 | Y409 V412 S413 F448 I449 M454 I455 E456 | Y409-Q452 HydrophobicContact CD2-CB 4.17Å; Y409-Q452 HydrophobicContact CD2-CG 4.05Å; Y409-Q452 HydrophobicContact CE2-CB 4.12Å; Y409-Q452 HydrophobicContact CE2-CG 4.26Å; V412-Q452 HydrophobicContact CB-CG 4.44Å; V412-Q452 HydrophobicContact CG1-CG 3.79Å; S413-Q452 PolarHBondContact OG-NE2 3.49Å; F448-Q452 PolarHBondContact O-N 2.99Å; I449-Q452 PolarHBondContact O-N 2.94Å; I449-Q452 VanDerWaalsContact O-N 3.15Å; Q452-M454 VanDerWaalsContact C-N 3.3Å; Q452-M454 PolarHBondContact O-N 3Å; Q452-I455 PolarHBondContact O-N 3.13Å; Q452-I455 VanDerWaalsContact O-N 3.12Å; Q452-E456 WeakPolarHBondContact O-CG 3.47Å; Q452-E456 PolarHBondContact O-N 2.86Å |
| 453 | E | 94.5 | Very high | 92.4 | Very high | 109 Ų | 109 | 56 Ų | 56 | 51% | 0.509 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.1 | -42.4 | 176.9 | -70.6 | 176.2 | 173.3 | 0 | 0 | 112.1 | I449 T457 | I449-E453 HydrophobicContact CG2-CG 4.5Å; I449-E453 WeakPolarHBondContact O-CG 3.23Å; I449-E453 PolarHBondContact O-N 2.9Å; E453-T457 WeakPolarHBondContact O-CB 3.41Å; E453-T457 VanDerWaalsContact O-CG2 3.28Å; E453-T457 WeakPolarHBondContact O-CG2 2.99Å; E453-T457 PolarHBondContact O-N 2.92Å; E453-T457 VanDerWaalsContact O-N 3.11Å; E453-T457 PolarHBondContact O-OG1 3.18Å |
| 454 | M | 94.3 | Very high | 91.8 | Very high | 27 Ų | 27 | 52.9 Ų | 52.9 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 175.9 | 178 | -170.3 | 70.6 | 0 | 0 | 111.6 | K450 Y451 Q452 T457 T458 I582 I585 | K450-M454 WeakPolarHBondContact O-CB 3.47Å; K450-M454 PolarHBondContact O-N 3.23Å; Y451-M454 HydrophobicContact CD2-CE 3.85Å; Y451-M454 HydrophobicContact CE2-CE 3.89Å; Y451-M454 PolarHBondContact O-N 3.32Å; Q452-M454 VanDerWaalsContact C-N 3.3Å; Q452-M454 PolarHBondContact O-N 3Å; M454-T457 PolarHBondContact O-OG1 3.12Å; M454-T457 VanDerWaalsContact O-OG1 3.07Å; M454-T458 WeakPolarHBondContact O-CB 3.42Å; M454-T458 WeakPolarHBondContact O-CG2 3.11Å; M454-T458 PolarHBondContact O-N 2.78Å; M454-T458 VanDerWaalsContact O-N 3.13Å; M454-T458 PolarHBondContact O-OG1 3.42Å; M454-I582 HydrophobicContact CE-CG2 4.12Å; M454-I585 HydrophobicContact CE-CG2 4.48Å; M454-I585 HydrophobicContact SD-CB 3.95Å; M454-I585 HydrophobicContact SD-CD1 4.3Å; M454-I585 HydrophobicContact SD-CG2 3.56Å; M454-I585 VanDerWaalsContact SD-CG2 3.56Å |
| 455 | I | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.9 | -41.8 | -178 | -62.7 | -58.8 | 0 | 0 | 0 | 111.6 | C405 Y409 Y451 Q452 T457 T458 L459 M461 I582 | C405-I455 HydrophobicContact CB-CD1 3.82Å; Y409-I455 HydrophobicContact CD1-CG2 4.47Å; Y409-I455 HydrophobicContact CD2-CB 4.16Å; Y409-I455 HydrophobicContact CD2-CG2 4.16Å; Y409-I455 HydrophobicContact CG-CB 4.37Å; Y409-I455 HydrophobicContact CG-CG2 3.94Å; Y451-I455 HydrophobicContact CD1-CG1 4.33Å; Y451-I455 HydrophobicContact CE1-CG1 3.89Å; Y451-I455 WeakPolarHBondContact O-CG1 3.38Å; Y451-I455 PolarHBondContact O-N 3.2Å; Y451-I455 VanDerWaalsContact O-N 3.12Å; Q452-I455 PolarHBondContact O-N 3.13Å; Q452-I455 VanDerWaalsContact O-N 3.12Å; I455-T457 VanDerWaalsContact C-N 3.29Å; I455-T457 PolarHBondContact O-N 3.38Å; I455-T458 PolarHBondContact O-N 2.97Å; I455-L459 HydrophobicContact CG2-CB 4.1Å; I455-L459 HydrophobicContact CG2-CD1 3.98Å; I455-L459 WeakPolarHBondContact O-CB 3.48Å; I455-L459 PolarHBondContact O-N 3.21Å; I455-M461 HydrophobicContact CG2-CE 4.34Å; I455-I582 HydrophobicContact CD1-CG2 4.18Å |
| 456 | E | 91.9 | Very high | 90.3 | Very high | 99 Ų | 99 | 63.4 Ų | 63.4 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.1 | -34.2 | 178.7 | -72.3 | 175.3 | -174.9 | 0 | 0 | 113.1 | Y409 Q452 M461 | Y409-E456 HydrophobicContact CE2-CG 3.64Å; Y409-E456 PolarHBondContact OH-OE1 3.19Å; Y409-E456 VanDerWaalsContact OH-OE1 3.1Å; Q452-E456 WeakPolarHBondContact O-CG 3.47Å; Q452-E456 PolarHBondContact O-N 2.86Å; E456-M461 HydrophobicContact CG-CE 4.37Å |
| 457 | T | 92 | Very high | 89.6 | Confident | 80 Ų | 80 | 67.1 Ų | 67.1 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -81.2 | -32 | 179.6 | 52.7 | 0 | 0 | 0 | 0 | 113 | E453 M454 I455 | E453-T457 WeakPolarHBondContact O-CB 3.41Å; E453-T457 VanDerWaalsContact O-CG2 3.28Å; E453-T457 WeakPolarHBondContact O-CG2 2.99Å; E453-T457 PolarHBondContact O-N 2.92Å; E453-T457 VanDerWaalsContact O-N 3.11Å; E453-T457 PolarHBondContact O-OG1 3.18Å; M454-T457 PolarHBondContact O-OG1 3.12Å; M454-T457 VanDerWaalsContact O-OG1 3.07Å; I455-T457 VanDerWaalsContact C-N 3.29Å; I455-T457 PolarHBondContact O-N 3.38Å |
| 458 | T | 90.8 | Very high | 89 | Confident | 4 Ų | 4 | 68.2 Ų | 68.2 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -94.9 | -34.7 | -173.7 | 56.3 | 0 | 0 | 0 | 0 | 114.1 | M454 I455 V471 K472 F475 I582 | M454-T458 WeakPolarHBondContact O-CB 3.42Å; M454-T458 WeakPolarHBondContact O-CG2 3.11Å; M454-T458 PolarHBondContact O-N 2.78Å; M454-T458 VanDerWaalsContact O-N 3.13Å; M454-T458 PolarHBondContact O-OG1 3.42Å; I455-T458 PolarHBondContact O-N 2.97Å; T458-V471 CarbonylContact O-C 3.57Å; T458-V471 WeakPolarHBondContact O-CA 3.37Å; T458-V471 WeakPolarHBondContact O-CG1 3.03Å; T458-K472 WeakPolarHBondContact O-CB 3.35Å; T458-K472 PolarHBondContact O-N 2.87Å; T458-F475 HydrophobicContact CG2-CD1 4.45Å; T458-F475 HydrophobicContact CG2-CD2 3.83Å; T458-F475 HydrophobicContact CG2-CE1 4.15Å; T458-F475 HydrophobicContact CG2-CE2 3.49Å; T458-F475 VanDerWaalsContact CG2-CE2 3.49Å; T458-F475 HydrophobicContact CG2-CG 4.31Å; T458-F475 HydrophobicContact CG2-CZ 3.66Å; T458-I582 HydrophobicContact CG2-CD1 4.08Å |
| 459 | L | 90.3 | Very high | 88.6 | Confident | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -95.6 | 132.7 | -168.9 | -158.9 | 158.1 | 0 | 0 | 0 | 110.9 | L402 H406 I455 M461 I464 | L402-L459 HydrophobicContact CD1-CD1 3.99Å; L402-L459 HydrophobicContact CD2-CD1 4.16Å; L402-L459 HydrophobicContact CD2-CG 4.11Å; L402-L459 HydrophobicContact CG-CD1 3.7Å; L402-L459 HydrophobicContact CG-CG 4.21Å; H406-L459 HydrophobicContact CB-CD1 4.06Å; I455-L459 HydrophobicContact CG2-CB 4.1Å; I455-L459 HydrophobicContact CG2-CD1 3.98Å; I455-L459 WeakPolarHBondContact O-CB 3.48Å; I455-L459 PolarHBondContact O-N 3.21Å; L459-M461 HydrophobicContact CD2-SD 4.36Å; L459-M461 PolarHBondContact O-N 3.34Å; L459-M461 VanDerWaalsContact O-N 3.14Å; L459-I464 HydrophobicContact CD2-CD1 3.13Å; L459-I464 HydrophobicContact CD2-CG1 3.55Å |
| 460 | D | 88.5 | Confident | 88.2 | Confident | 30 Ų | 30 | 69.4 Ų | 69.4 | 16% | 0.16 | 33% | 0.334 | C | S | . | . | trans | -79.6 | 97.2 | 178.9 | -168.1 | -11.6 | 0 | 0 | 0 | 111.9 | N462 Q463 L470 K472 | D460-N462 PolarHBondContact O-N 3.03Å; D460-N462 VanDerWaalsContact O-N 3.16Å; D460-N462 WeakPolarHBondContact OD1-CB 3.24Å; D460-N462 PolarHBondContact OD1-N 2.94Å; D460-N462 VanDerWaalsContact OD1-N 3.07Å; D460-N462 PolarHBondContact OD1-ND2 3.11Å; D460-Q463 HydrophobicContact CB-CB 4.48Å; D460-Q463 HydrophobicContact CB-CG 4.25Å; D460-Q463 PolarHBondContact O-N 3.27Å; D460-Q463 WeakPolarHBondContact OD2-CG 3.4Å; D460-L470 PolarHBondContact N-O 3.49Å; D460-K472 HydrophobicContact CB-CB 4.36Å | ||
| 461 | M | 85.3 | Confident | 88 | Confident | 65 Ų | 65 | 62.4 Ų | 62.4 | 32% | 0.32 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.2 | -25.4 | -179.6 | -60.2 | -64.1 | 175.4 | 0 | 0 | 114 | Y409 I455 E456 L459 I464 | Y409-M461 HydrophobicContact CE1-CE 4.07Å; I455-M461 HydrophobicContact CG2-CE 4.34Å; E456-M461 HydrophobicContact CG-CE 4.37Å; L459-M461 HydrophobicContact CD2-SD 4.36Å; L459-M461 PolarHBondContact O-N 3.34Å; L459-M461 VanDerWaalsContact O-N 3.14Å; M461-I464 HydrophobicContact SD-CD1 3.55Å; M461-I464 VanDerWaalsContact SD-CD1 3.55Å |
| 462 | N | 84.4 | Confident | 87.8 | Confident | 112 Ų | 112 | 66.4 Ų | 66.4 | 60% | 0.599 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -72.9 | -36 | -179.5 | -53 | -65.7 | 0 | 0 | 0 | 111.8 | D460 I464 | D460-N462 PolarHBondContact O-N 3.03Å; D460-N462 VanDerWaalsContact O-N 3.16Å; D460-N462 WeakPolarHBondContact OD1-CB 3.24Å; D460-N462 PolarHBondContact OD1-N 2.94Å; D460-N462 VanDerWaalsContact OD1-N 3.07Å; D460-N462 PolarHBondContact OD1-ND2 3.11Å; N462-I464 VanDerWaalsContact C-N 3.32Å |
| 463 | Q | 82.7 | Confident | 87.5 | Confident | 61 Ų | 61 | 65.8 Ų | 65.8 | 29% | 0.285 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -76.6 | -22.4 | -178.4 | -61.2 | -59.8 | -26.1 | 0 | 0 | 112.3 | D460 E465 H466 H467 E468 L470 | D460-Q463 HydrophobicContact CB-CB 4.48Å; D460-Q463 HydrophobicContact CB-CG 4.25Å; D460-Q463 PolarHBondContact O-N 3.27Å; D460-Q463 WeakPolarHBondContact OD2-CG 3.4Å; Q463-E465 PolarHBondContact O-N 3.32Å; Q463-H466 CarbonylContact O-C 3.59Å; Q463-H466 WeakPolarHBondContact O-CA 3.43Å; Q463-H466 WeakPolarHBondContact O-CB 3.43Å; Q463-H466 PolarHBondContact O-N 3.14Å; Q463-H467 PolarHBondContact O-N 3.36Å; Q463-E468 CarbonylContact C-O 3.59Å; Q463-E468 HydrophobicContact CB-CB 4.24Å; Q463-E468 WeakPolarHBondContact CB-O 3.33Å; Q463-E468 PolarHBondContact O-N 3.09Å; Q463-E468 VanDerWaalsContact O-O 3.09Å; Q463-L470 HydrophobicContact CB-CD1 4.44Å; Q463-L470 HydrophobicContact CG-CD1 4.26Å |
| 464 | I | 83.8 | Confident | 87.2 | Confident | 27 Ų | 27 | 64.5 Ų | 64.5 | 14% | 0.138 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.1 | -34.8 | 176.1 | -56.1 | 174.3 | 0 | 0 | 0 | 111.4 | L459 M461 N462 H466 H467 E468 F469 | L459-I464 HydrophobicContact CD2-CD1 3.13Å; L459-I464 HydrophobicContact CD2-CG1 3.55Å; M461-I464 HydrophobicContact SD-CD1 3.55Å; M461-I464 VanDerWaalsContact SD-CD1 3.55Å; N462-I464 VanDerWaalsContact C-N 3.32Å; I464-H466 PolarHBondContact O-N 2.93Å; I464-H467 WeakPolarHBondContact O-CA 3.41Å; I464-H467 PolarHBondContact O-N 3.15Å; I464-E468 PolarHBondContact N-O 3.39Å; I464-F469 HydrophobicContact CG1-CD1 4.31Å; I464-F469 HydrophobicContact CG1-CE1 4.46Å; I464-F469 HydrophobicContact CG2-CD1 4.49Å; I464-F469 HydrophobicContact CG2-CE1 3.84Å; I464-F469 HydrophobicContact CG2-CZ 4.35Å |
| 465 | E | 79.9 | Confident | 87.1 | Confident | 159 Ų | 159 | 68 Ų | 68 | 74% | 0.743 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -29.7 | 176.1 | -63.1 | -171.6 | 172.7 | 0 | 0 | 111.7 | Q463 H467 | Q463-E465 PolarHBondContact O-N 3.32Å; E465-H467 VanDerWaalsContact C-N 3.29Å; E465-H467 PolarHBondContact O-N 2.75Å |
| 466 | H | 78.7 | Confident | 87 | Confident | 130 Ų | 130 | 70 Ų | 70 | 60% | 0.602 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 8.1 | 174.4 | -58.8 | -47.4 | 0 | 0 | 0 | 113.9 | Q463 I464 E468 | Q463-H466 CarbonylContact O-C 3.59Å; Q463-H466 WeakPolarHBondContact O-CA 3.43Å; Q463-H466 WeakPolarHBondContact O-CB 3.43Å; Q463-H466 PolarHBondContact O-N 3.14Å; I464-H466 PolarHBondContact O-N 2.93Å; H466-E468 PolarHBondContact O-N 2.98Å |
| 467 | H | 80.1 | Confident | 87 | Confident | 161 Ų | 161 | 70 Ų | 70 | 75% | 0.745 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 25.2 | -173.6 | -61.8 | 57.5 | 0 | 0 | 0 | 113.7 | Q463 I464 E465 | Q463-H467 PolarHBondContact O-N 3.36Å; I464-H467 WeakPolarHBondContact O-CA 3.41Å; I464-H467 PolarHBondContact O-N 3.15Å; E465-H467 VanDerWaalsContact C-N 3.29Å; E465-H467 PolarHBondContact O-N 2.75Å |
| 468 | E | 81.8 | Confident | 86.9 | Confident | 104 Ų | 104 | 69.9 Ų | 69.9 | 49% | 0.486 | 36% | 0.358 | S | S | . | . | trans | -107.5 | 120.8 | 174.1 | -68.5 | -170.7 | 176.6 | 0 | 0 | 110.3 | Q463 I464 H466 L470 | Q463-E468 CarbonylContact C-O 3.59Å; Q463-E468 HydrophobicContact CB-CB 4.24Å; Q463-E468 WeakPolarHBondContact CB-O 3.33Å; Q463-E468 PolarHBondContact O-N 3.09Å; Q463-E468 VanDerWaalsContact O-O 3.09Å; I464-E468 PolarHBondContact N-O 3.39Å; H466-E468 PolarHBondContact O-N 2.98Å; E468-L470 HydrophobicContact CB-CD1 4.42Å; E468-L470 HydrophobicContact CB-CG 4.34Å | ||
| 469 | F | 86.9 | Confident | 86.9 | Confident | 53 Ų | 53 | 69.7 Ų | 69.7 | 23% | 0.232 | 36% | 0.357 | C | S | . | . | trans | -100 | 95.2 | 179 | -59.6 | -87.6 | 0 | 0 | 0 | 108.5 | L402 Q403 H406 I464 | L402-F469 HydrophobicContact CB-CB 4.16Å; L402-F469 HydrophobicContact CD2-CB 4.29Å; L402-F469 HydrophobicContact CG-CB 4.39Å; Q403-F469 HydrophobicContact CB-CD1 4.14Å; Q403-F469 HydrophobicContact CB-CD2 3.73Å; Q403-F469 HydrophobicContact CB-CE1 4.18Å; Q403-F469 HydrophobicContact CB-CE2 3.79Å; Q403-F469 HydrophobicContact CB-CG 3.93Å; Q403-F469 HydrophobicContact CB-CZ 4.02Å; Q403-F469 HydrophobicContact CG-CD2 4.13Å; Q403-F469 HydrophobicContact CG-CE1 4.06Å; Q403-F469 HydrophobicContact CG-CE2 3.62Å; Q403-F469 HydrophobicContact CG-CZ 3.59Å; H406-F469 HydrophobicContact CB-CD1 4.2Å; H406-F469 HydrophobicContact CB-CE1 4.1Å; H406-F469 AromaticContact ND1-CE1 3.77Å; I464-F469 HydrophobicContact CG1-CD1 4.31Å; I464-F469 HydrophobicContact CG1-CE1 4.46Å; I464-F469 HydrophobicContact CG2-CD1 4.49Å; I464-F469 HydrophobicContact CG2-CE1 3.84Å; I464-F469 HydrophobicContact CG2-CZ 4.35Å | ||
| 470 | L | 88.1 | Confident | 87 | Confident | 48 Ų | 48 | 71.4 Ų | 71.4 | 25% | 0.251 | 37% | 0.369 | S | S | . | . | trans | -118.8 | 155.2 | -176.2 | -60.7 | 177.2 | 0 | 0 | 0 | 111.7 | D460 Q463 E468 | D460-L470 PolarHBondContact N-O 3.49Å; Q463-L470 HydrophobicContact CB-CD1 4.44Å; Q463-L470 HydrophobicContact CG-CD1 4.26Å; E468-L470 HydrophobicContact CB-CD1 4.42Å; E468-L470 HydrophobicContact CB-CG 4.34Å | ||
| 471 | V | 90.8 | Very high | 87.2 | Confident | 2 Ų | 2 | 74.9 Ų | 74.9 | 1% | 0.012 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -76.7 | 136.9 | 170 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | L402 T458 A473 F475 L479 Q575 I578 V579 | L402-V471 HydrophobicContact CD2-CG2 4.38Å; T458-V471 CarbonylContact O-C 3.57Å; T458-V471 WeakPolarHBondContact O-CA 3.37Å; T458-V471 WeakPolarHBondContact O-CG1 3.03Å; V471-A473 PolarHBondContact O-N 2.99Å; V471-F475 HydrophobicContact CG1-CB 4.48Å; V471-F475 HydrophobicContact CG1-CD1 4.39Å; V471-L479 HydrophobicContact CB-CD1 4.24Å; V471-L479 HydrophobicContact CG1-CD1 3.89Å; V471-Q575 HydrophobicContact CB-CG 4.12Å; V471-Q575 HydrophobicContact CG2-CG 3.84Å; V471-I578 HydrophobicContact CG1-CG2 4.3Å; V471-I578 HydrophobicContact CG2-CG2 4.47Å; V471-V579 HydrophobicContact CG2-CG2 3.67Å |
| 472 | K | 90.3 | Very high | 87.5 | Confident | 86 Ų | 86 | 72.3 Ų | 72.3 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | trans | -61.9 | 118.5 | 176.3 | -168.5 | -179.3 | -174.5 | 177.7 | 0 | 109.3 | T458 D460 S474 F475 | T458-K472 WeakPolarHBondContact O-CB 3.35Å; T458-K472 PolarHBondContact O-N 2.87Å; D460-K472 HydrophobicContact CB-CB 4.36Å; K472-S474 WeakPolarHBondContact CD-OG 3.49Å; K472-S474 WeakPolarHBondContact CE-OG 3.35Å; K472-S474 WeakPolarHBondContact CG-OG 3.41Å; K472-S474 PolarHBondContact O-N 3.4Å; K472-F475 WeakPolarHBondContact O-CB 3.48Å; K472-F475 PolarHBondContact O-N 2.77Å | ||
| 473 | A | 88.4 | Confident | 87.8 | Confident | 21 Ų | 21 | 71.4 Ų | 71.4 | 17% | 0.174 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -58.3 | -27.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V471 F475 D476 S480 R483 | V471-A473 PolarHBondContact O-N 2.99Å; A473-F475 PolarHBondContact O-N 3.14Å; A473-D476 VanDerWaalsContact O-O 3.07Å; A473-S480 WeakPolarHBondContact O-CA 3.23Å; A473-S480 WeakPolarHBondContact O-CB 3.42Å; A473-S480 PolarHBondContact O-N 3.24Å; A473-S480 VanDerWaalsContact O-N 3.17Å; A473-R483 HydrophobicContact CB-CB 4.05Å; A473-R483 HydrophobicContact CB-CG 4.2Å |
| 474 | S | 89.5 | Confident | 88.2 | Confident | 83 Ų | 83 | 74.9 Ų | 74.9 | 58% | 0.58 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -74.8 | -7.2 | 177.1 | 72.2 | 0 | 0 | 0 | 0 | 114.6 | K472 | K472-S474 WeakPolarHBondContact CD-OG 3.49Å; K472-S474 WeakPolarHBondContact CE-OG 3.35Å; K472-S474 WeakPolarHBondContact CG-OG 3.41Å; K472-S474 PolarHBondContact O-N 3.4Å |
| 475 | F | 90.4 | Very high | 88.6 | Confident | 101 Ų | 101 | 77.9 Ų | 77.9 | 44% | 0.443 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -72.5 | -39.8 | -179.9 | 176.4 | -101.9 | 0 | 0 | 0 | 111.5 | T458 V471 K472 A473 I578 | T458-F475 HydrophobicContact CG2-CD1 4.45Å; T458-F475 HydrophobicContact CG2-CD2 3.83Å; T458-F475 HydrophobicContact CG2-CE1 4.15Å; T458-F475 HydrophobicContact CG2-CE2 3.49Å; T458-F475 VanDerWaalsContact CG2-CE2 3.49Å; T458-F475 HydrophobicContact CG2-CG 4.31Å; T458-F475 HydrophobicContact CG2-CZ 3.66Å; V471-F475 HydrophobicContact CG1-CB 4.48Å; V471-F475 HydrophobicContact CG1-CD1 4.39Å; K472-F475 WeakPolarHBondContact O-CB 3.48Å; K472-F475 PolarHBondContact O-N 2.77Å; A473-F475 PolarHBondContact O-N 3.14Å; F475-I578 HydrophobicContact CD1-CG2 4.38Å; F475-I578 HydrophobicContact CE1-CG2 4.07Å |
| 476 | D | 92.3 | Very high | 89 | Confident | 42 Ų | 42 | 70.7 Ų | 70.7 | 23% | 0.225 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -122.4 | 131.2 | -177.5 | 173.8 | 70.1 | 0 | 0 | 0 | 110.6 | A473 V478 L479 S480 I578 | A473-D476 VanDerWaalsContact O-O 3.07Å; D476-V478 PolarHBondContact O-N 3.35Å; D476-V478 WeakPolarHBondContact OD2-CA 3.48Å; D476-V478 WeakPolarHBondContact OD2-CB 3.35Å; D476-V478 PolarHBondContact OD2-N 3.01Å; D476-L479 HydrophobicContact CB-CB 4.25Å; D476-L479 HydrophobicContact CB-CD1 4.2Å; D476-L479 HydrophobicContact CB-CG 4.06Å; D476-L479 PolarHBondContact O-N 3.28Å; D476-L479 PolarHBondContact OD2-N 3.23Å; D476-S480 PolarHBondContact O-N 3.18Å; D476-I578 HydrophobicContact CB-CD1 3.88Å |
| 477 | P | 91.1 | Very high | 89.5 | Confident | 99 Ų | 99 | 67.1 Ų | 67.1 | 64% | 0.643 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.8 | -31.4 | -178.3 | 23.2 | -35.1 | 0 | 0 | 0 | 113.5 | S480 E481 | P477-S480 PolarHBondContact O-N 3.44Å; P477-E481 WeakPolarHBondContact O-CB 3.29Å; P477-E481 PolarHBondContact O-N 2.94Å |
| 478 | V | 91.1 | Very high | 90.1 | Very high | 76 Ų | 76 | 61.9 Ų | 61.9 | 46% | 0.461 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -71 | -45.1 | 179.2 | -174 | 0 | 0 | 0 | 0 | 110 | D476 S480 E481 L482 | D476-V478 PolarHBondContact O-N 3.35Å; D476-V478 WeakPolarHBondContact OD2-CA 3.48Å; D476-V478 WeakPolarHBondContact OD2-CB 3.35Å; D476-V478 PolarHBondContact OD2-N 3.01Å; V478-S480 VanDerWaalsContact C-N 3.31Å; V478-S480 PolarHBondContact O-N 3.19Å; V478-E481 PolarHBondContact O-N 2.99Å; V478-L482 HydrophobicContact CG1-CD1 4.01Å; V478-L482 HydrophobicContact CG1-CG 4.48Å; V478-L482 WeakPolarHBondContact O-CB 3.31Å; V478-L482 WeakPolarHBondContact O-CG 3.45Å; V478-L482 PolarHBondContact O-N 3.39Å |
| 479 | L | 91.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 173.2 | -67.1 | -173.2 | 0 | 0 | 0 | 112 | V471 D476 L482 R483 Y571 A574 Q575 I578 | V471-L479 HydrophobicContact CB-CD1 4.24Å; V471-L479 HydrophobicContact CG1-CD1 3.89Å; D476-L479 HydrophobicContact CB-CB 4.25Å; D476-L479 HydrophobicContact CB-CD1 4.2Å; D476-L479 HydrophobicContact CB-CG 4.06Å; D476-L479 PolarHBondContact O-N 3.28Å; D476-L479 PolarHBondContact OD2-N 3.23Å; L479-L482 PolarHBondContact O-N 3.11Å; L479-R483 VanDerWaalsContact O-CB 3.32Å; L479-R483 WeakPolarHBondContact O-CB 3.34Å; L479-R483 PolarHBondContact O-N 3.06Å; L479-Y571 HydrophobicContact CB-CE2 3.98Å; L479-Y571 HydrophobicContact CD2-CD2 3.86Å; L479-Y571 HydrophobicContact CD2-CE2 3.81Å; L479-Y571 HydrophobicContact CD2-CG 4.35Å; L479-Y571 HydrophobicContact CG-CE2 4.41Å; L479-Y571 WeakPolarHBondContact O-CE2 3.39Å; L479-A574 HydrophobicContact CD2-CB 3.86Å; L479-Q575 HydrophobicContact CD2-CB 4.26Å; L479-I578 HydrophobicContact CD1-CD1 3.6Å; L479-I578 HydrophobicContact CG-CD1 4.05Å |
| 480 | S | 92.4 | Very high | 90.6 | Very high | 39 Ų | 39 | 58.3 Ų | 58.3 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 177.6 | -166 | 0 | 0 | 0 | 0 | 111.5 | A473 D476 P477 V478 R483 E484 | A473-S480 WeakPolarHBondContact O-CA 3.23Å; A473-S480 WeakPolarHBondContact O-CB 3.42Å; A473-S480 PolarHBondContact O-N 3.24Å; A473-S480 VanDerWaalsContact O-N 3.17Å; D476-S480 PolarHBondContact O-N 3.18Å; P477-S480 PolarHBondContact O-N 3.44Å; V478-S480 VanDerWaalsContact C-N 3.31Å; V478-S480 PolarHBondContact O-N 3.19Å; S480-R483 PolarHBondContact O-N 3.13Å; S480-E484 WeakPolarHBondContact O-CG 3.35Å; S480-E484 PolarHBondContact O-N 2.77Å |
| 481 | E | 92.6 | Very high | 90.7 | Very high | 104 Ų | 104 | 63.5 Ų | 63.5 | 49% | 0.486 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 179.2 | -170 | -172.2 | 158.4 | 0 | 0 | 111.7 | P477 V478 E484 K485 | P477-E481 WeakPolarHBondContact O-CB 3.29Å; P477-E481 PolarHBondContact O-N 2.94Å; V478-E481 PolarHBondContact O-N 2.99Å; E481-E484 PolarHBondContact O-N 3.03Å; E481-K485 HydrophobicContact CG-CD 4.49Å; E481-K485 VanDerWaalsContact O-CG 3.3Å; E481-K485 WeakPolarHBondContact O-CG 3.46Å; E481-K485 PolarHBondContact O-N 3.04Å; E481-K485 WeakPolarHBondContact OE1-CE 3.24Å; E481-K485 IonicContact OE1-NZ 3.47Å; E481-K485 PolarHBondContact OE1-NZ 3.31Å |
| 482 | L | 91.2 | Very high | 90.7 | Very high | 10 Ų | 10 | 66 Ų | 66 | 5% | 0.052 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 177 | -73.5 | 171.9 | 0 | 0 | 0 | 111.9 | V478 L479 K485 M486 E570 Y571 | V478-L482 HydrophobicContact CG1-CD1 4.01Å; V478-L482 HydrophobicContact CG1-CG 4.48Å; V478-L482 WeakPolarHBondContact O-CB 3.31Å; V478-L482 WeakPolarHBondContact O-CG 3.45Å; V478-L482 PolarHBondContact O-N 3.39Å; L479-L482 PolarHBondContact O-N 3.11Å; L482-K485 PolarHBondContact O-N 3.27Å; L482-M486 WeakPolarHBondContact O-CB 3.36Å; L482-M486 VanDerWaalsContact O-CG 3.29Å; L482-M486 WeakPolarHBondContact O-CG 3.36Å; L482-M486 PolarHBondContact O-N 3.36Å; L482-E570 HydrophobicContact CD1-CB 4.32Å; L482-E570 HydrophobicContact CD2-CB 4.43Å; L482-Y571 HydrophobicContact CB-CD2 3.86Å |
| 483 | R | 89.7 | Confident | 90.6 | Very high | 94 Ų | 94 | 61.9 Ų | 61.9 | 36% | 0.355 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 175.7 | -175.2 | 69 | -151.3 | -174.7 | 6.3 | 111.6 | A473 L479 S480 K485 M486 D487 Y571 | A473-R483 HydrophobicContact CB-CB 4.05Å; A473-R483 HydrophobicContact CB-CG 4.2Å; L479-R483 VanDerWaalsContact O-CB 3.32Å; L479-R483 WeakPolarHBondContact O-CB 3.34Å; L479-R483 PolarHBondContact O-N 3.06Å; S480-R483 PolarHBondContact O-N 3.13Å; R483-K485 VanDerWaalsContact C-N 3.34Å; R483-K485 PolarHBondContact O-N 3.48Å; R483-M486 PolarHBondContact O-N 3.11Å; R483-D487 IonicContact CZ-OD1 2.71Å; R483-D487 VanDerWaalsContact CZ-OD1 3.25Å; R483-D487 IonicContact NE-OD1 2.64Å; R483-D487 PolarHBondContact NE-OD1 3.09Å; R483-D487 IonicContact NE-OD2 3.04Å; R483-D487 IonicContact NH2-OD1 2.7Å; R483-D487 PolarHBondContact NH2-OD1 2.65Å; R483-D487 WeakPolarHBondContact O-CB 3.32Å; R483-D487 VanDerWaalsContact O-CG 3.29Å; R483-D487 PolarHBondContact O-N 3.04Å; R483-Y571 HydrophobicContact CB-CE2 4.24Å |
| 484 | E | 92.1 | Very high | 90.6 | Very high | 133 Ų | 133 | 65.9 Ų | 65.9 | 62% | 0.621 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.2 | -41.9 | 175.1 | -75.2 | -176.9 | -177.6 | 0 | 0 | 112.1 | S480 E481 D487 A488 | S480-E484 WeakPolarHBondContact O-CG 3.35Å; S480-E484 PolarHBondContact O-N 2.77Å; E481-E484 PolarHBondContact O-N 3.03Å; E484-D487 PolarHBondContact O-N 3.11Å; E484-A488 WeakPolarHBondContact O-CB 3.36Å; E484-A488 PolarHBondContact O-N 3.37Å |
| 485 | K | 91.6 | Very high | 90.6 | Very high | 91 Ų | 91 | 64.8 Ų | 64.8 | 40% | 0.396 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.6 | -47.8 | 173.9 | -74.9 | 170.9 | -176.2 | 165.4 | 0 | 111.5 | E481 L482 R483 A488 L489 | E481-K485 HydrophobicContact CG-CD 4.49Å; E481-K485 VanDerWaalsContact O-CG 3.3Å; E481-K485 WeakPolarHBondContact O-CG 3.46Å; E481-K485 PolarHBondContact O-N 3.04Å; E481-K485 WeakPolarHBondContact OE1-CE 3.24Å; E481-K485 IonicContact OE1-NZ 3.47Å; E481-K485 PolarHBondContact OE1-NZ 3.31Å; L482-K485 PolarHBondContact O-N 3.27Å; R483-K485 VanDerWaalsContact C-N 3.34Å; R483-K485 PolarHBondContact O-N 3.48Å; K485-A488 PolarHBondContact O-N 3Å; K485-L489 VanDerWaalsContact O-CG 3.29Å; K485-L489 WeakPolarHBondContact O-CG 3.1Å; K485-L489 PolarHBondContact O-N 3.41Å |
| 486 | M | 88.3 | Confident | 90.4 | Very high | 8 Ų | 8 | 60.5 Ų | 60.5 | 4% | 0.039 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 178 | -73.5 | 173.3 | 65.3 | 0 | 0 | 112 | L482 R483 A488 L489 E490 Y564 R568 Y571 | L482-M486 WeakPolarHBondContact O-CB 3.36Å; L482-M486 VanDerWaalsContact O-CG 3.29Å; L482-M486 WeakPolarHBondContact O-CG 3.36Å; L482-M486 PolarHBondContact O-N 3.36Å; R483-M486 PolarHBondContact O-N 3.11Å; M486-A488 VanDerWaalsContact C-N 3.3Å; M486-A488 PolarHBondContact O-N 3Å; M486-L489 WeakPolarHBondContact O-CB 2.93Å; M486-L489 PolarHBondContact O-N 3.24Å; M486-L489 VanDerWaalsContact O-N 3.15Å; M486-E490 PolarHBondContact O-N 3Å; M486-Y564 HydrophobicContact CB-CD2 4.3Å; M486-Y564 HydrophobicContact CB-CE2 3.78Å; M486-Y564 HydrophobicContact CE-CE1 4.19Å; M486-Y564 HydrophobicContact CE-CE2 3.87Å; M486-Y564 WeakPolarHBondContact CE-OH 3.4Å; M486-Y564 HydrophobicContact CG-CD2 4.3Å; M486-Y564 HydrophobicContact CG-CE2 3.99Å; M486-R568 HydrophobicContact CE-CB 4Å; M486-R568 HydrophobicContact CE-CG 4.17Å; M486-R568 HydrophobicContact SD-CB 4.39Å; M486-Y571 HydrophobicContact SD-CG 4.34Å |
| 487 | D | 89.3 | Confident | 90.3 | Very high | 54 Ų | 54 | 58.8 Ų | 58.8 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.6 | -35.5 | 178.1 | -69.8 | -20.8 | 0 | 0 | 0 | 111.8 | R483 E484 K491 | R483-D487 IonicContact CZ-OD1 2.71Å; R483-D487 VanDerWaalsContact CZ-OD1 3.25Å; R483-D487 IonicContact NE-OD1 2.64Å; R483-D487 PolarHBondContact NE-OD1 3.09Å; R483-D487 IonicContact NE-OD2 3.04Å; R483-D487 IonicContact NH2-OD1 2.7Å; R483-D487 PolarHBondContact NH2-OD1 2.65Å; R483-D487 WeakPolarHBondContact O-CB 3.32Å; R483-D487 VanDerWaalsContact O-CG 3.29Å; R483-D487 PolarHBondContact O-N 3.04Å; E484-D487 PolarHBondContact O-N 3.11Å; D487-K491 WeakPolarHBondContact O-CG 3.48Å; D487-K491 PolarHBondContact O-N 3.21Å; D487-K491 VanDerWaalsContact O-N 3.12Å |
| 488 | A | 92.3 | Very high | 90.1 | Very high | 51 Ų | 51 | 57.3 Ų | 57.3 | 42% | 0.421 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.6 | -38.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E484 K485 M486 S492 | E484-A488 WeakPolarHBondContact O-CB 3.36Å; E484-A488 PolarHBondContact O-N 3.37Å; K485-A488 PolarHBondContact O-N 3Å; M486-A488 VanDerWaalsContact C-N 3.3Å; M486-A488 PolarHBondContact O-N 3Å; A488-S492 WeakPolarHBondContact O-CB 3.49Å; A488-S492 PolarHBondContact O-N 3.05Å; A488-S492 PolarHBondContact O-OG 3.05Å |
| 489 | L | 91.2 | Very high | 89.8 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 175 | -72.4 | 171 | 0 | 0 | 0 | 111.3 | K485 M486 K491 S492 M493 L560 E563 Y564 | K485-L489 VanDerWaalsContact O-CG 3.29Å; K485-L489 WeakPolarHBondContact O-CG 3.1Å; K485-L489 PolarHBondContact O-N 3.41Å; M486-L489 WeakPolarHBondContact O-CB 2.93Å; M486-L489 PolarHBondContact O-N 3.24Å; M486-L489 VanDerWaalsContact O-N 3.15Å; L489-K491 PolarHBondContact O-N 3.41Å; L489-S492 CarbonylContact O-C 3.52Å; L489-S492 WeakPolarHBondContact O-CA 3.29Å; L489-S492 WeakPolarHBondContact O-CB 3.31Å; L489-S492 PolarHBondContact O-N 3.41Å; L489-S492 VanDerWaalsContact O-N 3.11Å; L489-M493 VanDerWaalsContact O-CG 3.32Å; L489-M493 WeakPolarHBondContact O-CG 3.18Å; L489-M493 PolarHBondContact O-N 3.11Å; L489-L560 HydrophobicContact CD2-CD2 3.68Å; L489-E563 HydrophobicContact CD1-CB 4.42Å; L489-E563 HydrophobicContact CD1-CG 4.1Å; L489-E563 HydrophobicContact CD2-CG 4.41Å; L489-Y564 HydrophobicContact CB-CD2 4.01Å; L489-Y564 HydrophobicContact CD1-CD2 4.35Å |
| 490 | E | 88.8 | Confident | 89.5 | Confident | 68 Ų | 68 | 56.4 Ų | 56.4 | 32% | 0.318 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 175.5 | -74.9 | -171.8 | 170.1 | 0 | 0 | 111.9 | M486 S492 M493 Q494 F522 Y564 | M486-E490 PolarHBondContact O-N 3Å; E490-S492 VanDerWaalsContact C-N 3.27Å; E490-S492 PolarHBondContact O-N 3Å; E490-M493 PolarHBondContact O-N 3.15Å; E490-Q494 WeakPolarHBondContact O-CB 3.34Å; E490-Q494 PolarHBondContact O-N 3.3Å; E490-F522 HydrophobicContact CG-CZ 4.22Å; E490-Y564 HydrophobicContact CG-CD2 4.4Å; E490-Y564 HydrophobicContact CG-CE2 3.73Å; E490-Y564 PolarHBondContact OE1-OH 2.92Å |
| 491 | K | 90 | Very high | 89.2 | Confident | 157 Ų | 157 | 54.6 Ų | 54.6 | 68% | 0.683 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -58.6 | -40.7 | 173.5 | -73.9 | 171.2 | -175.4 | 168.7 | 0 | 111.6 | D487 L489 Q494 A495 | D487-K491 WeakPolarHBondContact O-CG 3.48Å; D487-K491 PolarHBondContact O-N 3.21Å; D487-K491 VanDerWaalsContact O-N 3.12Å; L489-K491 PolarHBondContact O-N 3.41Å; K491-Q494 PolarHBondContact O-N 3.24Å; K491-A495 PolarHBondContact O-N 3.39Å |
| 492 | S | 90.8 | Very high | 88.9 | Confident | 54 Ų | 54 | 60.3 Ų | 60.3 | 38% | 0.378 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 177.4 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | A488 L489 E490 A495 V496 | A488-S492 WeakPolarHBondContact O-CB 3.49Å; A488-S492 PolarHBondContact O-N 3.05Å; A488-S492 PolarHBondContact O-OG 3.05Å; L489-S492 CarbonylContact O-C 3.52Å; L489-S492 WeakPolarHBondContact O-CA 3.29Å; L489-S492 WeakPolarHBondContact O-CB 3.31Å; L489-S492 PolarHBondContact O-N 3.41Å; L489-S492 VanDerWaalsContact O-N 3.11Å; E490-S492 VanDerWaalsContact C-N 3.27Å; E490-S492 PolarHBondContact O-N 3Å; S492-A495 WeakPolarHBondContact O-CB 3.42Å; S492-A495 PolarHBondContact O-N 3.4Å; S492-V496 WeakPolarHBondContact O-CG2 3.38Å; S492-V496 PolarHBondContact O-N 3.19Å; S492-V496 VanDerWaalsContact O-N 3.08Å |
| 493 | M | 89.2 | Confident | 88.5 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.4 | -37.1 | 174.2 | -68.2 | -179.3 | -171.8 | 0 | 0 | 112 | L489 E490 A495 V496 L497 L514 F522 L557 L560 N561 Y564 | L489-M493 VanDerWaalsContact O-CG 3.32Å; L489-M493 WeakPolarHBondContact O-CG 3.18Å; L489-M493 PolarHBondContact O-N 3.11Å; E490-M493 PolarHBondContact O-N 3.15Å; M493-A495 VanDerWaalsContact C-N 3.3Å; M493-A495 PolarHBondContact O-N 3.37Å; M493-V496 CarbonylContact O-C 3.53Å; M493-V496 WeakPolarHBondContact O-CA 3.28Å; M493-V496 WeakPolarHBondContact O-CB 3.11Å; M493-V496 PolarHBondContact O-N 3.3Å; M493-L497 PolarHBondContact O-N 3.12Å; M493-L514 HydrophobicContact CB-CD2 3.98Å; M493-F522 HydrophobicContact CE-CD2 4.09Å; M493-F522 HydrophobicContact SD-CB 3.77Å; M493-F522 HydrophobicContact SD-CD1 4.23Å; M493-F522 HydrophobicContact SD-CD2 3.62Å; M493-F522 HydrophobicContact SD-CE2 4.2Å; M493-F522 HydrophobicContact SD-CG 3.62Å; M493-L557 HydrophobicContact CB-CD1 4.1Å; M493-L557 HydrophobicContact CG-CD1 3.83Å; M493-L557 HydrophobicContact SD-CD1 4.21Å; M493-L560 HydrophobicContact CE-CB 3.76Å; M493-L560 WeakPolarHBondContact CE-O 3.33Å; M493-L560 HydrophobicContact CG-CB 3.98Å; M493-L560 HydrophobicContact CG-CD1 4.07Å; M493-N561 HydrophobicContact CE-CB 4.34Å; M493-Y564 HydrophobicContact CE-CD2 4.39Å; M493-Y564 HydrophobicContact CE-CG 4.03Å |
| 494 | Q | 88.1 | Confident | 88.1 | Confident | 104 Ų | 104 | 61 Ų | 61 | 49% | 0.486 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.1 | -33.6 | 174.9 | -164.6 | 68.4 | -2 | 0 | 0 | 111.9 | E490 K491 V496 L497 S498 | E490-Q494 WeakPolarHBondContact O-CB 3.34Å; E490-Q494 PolarHBondContact O-N 3.3Å; K491-Q494 PolarHBondContact O-N 3.24Å; Q494-V496 VanDerWaalsContact C-N 3.34Å; Q494-L497 WeakPolarHBondContact O-CB 3.46Å; Q494-L497 PolarHBondContact O-N 3.34Å; Q494-S498 PolarHBondContact O-N 3.26Å; Q494-S498 PolarHBondContact O-OG 3.29Å |
| 495 | A | 88.2 | Confident | 87.6 | Confident | 60 Ų | 60 | 58 Ų | 58 | 50% | 0.496 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.3 | -38.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K491 S492 M493 L497 S498 S499 | K491-A495 PolarHBondContact O-N 3.39Å; S492-A495 WeakPolarHBondContact O-CB 3.42Å; S492-A495 PolarHBondContact O-N 3.4Å; M493-A495 VanDerWaalsContact C-N 3.3Å; M493-A495 PolarHBondContact O-N 3.37Å; A495-L497 VanDerWaalsContact C-N 3.35Å; A495-L497 PolarHBondContact O-N 3.02Å; A495-S498 WeakPolarHBondContact O-CB 3.38Å; A495-S498 PolarHBondContact O-N 3.34Å; A495-S499 PolarHBondContact O-N 3.44Å |
| 496 | V | 87.7 | Confident | 87.2 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 7% | 0.073 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.6 | -36.9 | 174.6 | 176.9 | 0 | 0 | 0 | 0 | 111.9 | S492 M493 Q494 S498 S499 A500 K556 L557 L560 | S492-V496 WeakPolarHBondContact O-CG2 3.38Å; S492-V496 PolarHBondContact O-N 3.19Å; S492-V496 VanDerWaalsContact O-N 3.08Å; M493-V496 CarbonylContact O-C 3.53Å; M493-V496 WeakPolarHBondContact O-CA 3.28Å; M493-V496 WeakPolarHBondContact O-CB 3.11Å; M493-V496 PolarHBondContact O-N 3.3Å; Q494-V496 VanDerWaalsContact C-N 3.34Å; V496-S498 VanDerWaalsContact C-N 3.31Å; V496-S498 PolarHBondContact O-N 2.97Å; V496-S499 WeakPolarHBondContact CA-OG 3.36Å; V496-S499 PolarHBondContact O-N 3.41Å; V496-S499 PolarHBondContact O-OG 2.89Å; V496-A500 WeakPolarHBondContact O-CB 3.35Å; V496-A500 PolarHBondContact O-N 2.94Å; V496-K556 HydrophobicContact CG2-CG 4.02Å; V496-L557 HydrophobicContact CG1-CB 4.22Å; V496-L560 HydrophobicContact CG2-CD1 3.96Å |
| 497 | L | 89.6 | Confident | 86.8 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.1 | -47 | 171.9 | 171.4 | 66.7 | 0 | 0 | 0 | 111 | M493 Q494 A495 A500 A501 V512 L514 L524 | M493-L497 PolarHBondContact O-N 3.12Å; Q494-L497 WeakPolarHBondContact O-CB 3.46Å; Q494-L497 PolarHBondContact O-N 3.34Å; A495-L497 VanDerWaalsContact C-N 3.35Å; A495-L497 PolarHBondContact O-N 3.02Å; L497-A500 PolarHBondContact O-N 3.32Å; L497-A501 VanDerWaalsContact O-CB 3.29Å; L497-A501 WeakPolarHBondContact O-CB 3.48Å; L497-A501 PolarHBondContact O-N 3.03Å; L497-V512 HydrophobicContact CD1-CB 4.31Å; L497-V512 HydrophobicContact CD1-CG1 3.75Å; L497-L514 HydrophobicContact CD2-CB 4.08Å; L497-L524 HydrophobicContact CB-CD2 4.24Å; L497-L524 HydrophobicContact CD1-CD2 3.54Å |
| 498 | S | 86.8 | Confident | 86.5 | Confident | 67 Ų | 67 | 60.2 Ų | 60.2 | 47% | 0.469 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.9 | -40.5 | -179.7 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | Q494 A495 V496 R502 | Q494-S498 PolarHBondContact O-N 3.26Å; Q494-S498 PolarHBondContact O-OG 3.29Å; A495-S498 WeakPolarHBondContact O-CB 3.38Å; A495-S498 PolarHBondContact O-N 3.34Å; V496-S498 VanDerWaalsContact C-N 3.31Å; V496-S498 PolarHBondContact O-N 2.97Å; S498-R502 PolarHBondContact O-N 2.97Å |
| 499 | S | 85.8 | Confident | 85.7 | Confident | 57 Ų | 57 | 59.9 Ų | 59.9 | 40% | 0.399 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.7 | -41.5 | 175.4 | 64.8 | 0 | 0 | 0 | 0 | 112.5 | A495 V496 R502 E503 | A495-S499 PolarHBondContact O-N 3.44Å; V496-S499 WeakPolarHBondContact CA-OG 3.36Å; V496-S499 PolarHBondContact O-N 3.41Å; V496-S499 PolarHBondContact O-OG 2.89Å; S499-R502 PolarHBondContact O-N 2.96Å; S499-E503 WeakPolarHBondContact O-CG 3.32Å; S499-E503 PolarHBondContact O-N 3.47Å |
| 500 | A | 84.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V496 L497 E503 L504 L524 F540 | V496-A500 WeakPolarHBondContact O-CB 3.35Å; V496-A500 PolarHBondContact O-N 2.94Å; L497-A500 PolarHBondContact O-N 3.32Å; A500-E503 PolarHBondContact O-N 3.04Å; A500-L504 WeakPolarHBondContact O-CB 3.37Å; A500-L504 VanDerWaalsContact O-CG 3.31Å; A500-L504 WeakPolarHBondContact O-CG 3.4Å; A500-L504 PolarHBondContact O-N 2.95Å; A500-L524 HydrophobicContact CB-CD1 3.76Å; A500-F540 HydrophobicContact CB-CE1 3.95Å; A500-F540 HydrophobicContact CB-CZ 3.96Å |
| 501 | A | 85.6 | Confident | 84.7 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 2% | 0.017 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L497 L504 G505 L506 A508 | L497-A501 VanDerWaalsContact O-CB 3.29Å; L497-A501 WeakPolarHBondContact O-CB 3.48Å; L497-A501 PolarHBondContact O-N 3.03Å; A501-L504 PolarHBondContact O-N 2.94Å; A501-G505 PolarHBondContact O-N 2.75Å; A501-L506 CarbonylContact C-O 3.55Å; A501-L506 WeakPolarHBondContact CB-O 3.49Å; A501-L506 PolarHBondContact O-N 3.27Å; A501-L506 VanDerWaalsContact O-O 3.11Å; A501-A508 HydrophobicContact CB-CB 3.64Å |
| 502 | R | 85.3 | Confident | 84.4 | Confident | 223 Ų | 223 | 57.2 Ų | 57.2 | 84% | 0.842 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.7 | -42.3 | 175.3 | -178.5 | 179.4 | 164 | -176.3 | -4.4 | 112.9 | S498 S499 L504 G505 | S498-R502 PolarHBondContact O-N 2.97Å; S499-R502 PolarHBondContact O-N 2.96Å; R502-L504 VanDerWaalsContact C-N 3.31Å; R502-L504 PolarHBondContact O-N 3.01Å; R502-G505 PolarHBondContact O-N 3.17Å |
| 503 | E | 83.4 | Confident | 84.3 | Confident | 98 Ų | 98 | 58.6 Ų | 58.6 | 46% | 0.458 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67 | -30.6 | 178.2 | -75.1 | -165.8 | 165.8 | 0 | 0 | 113 | S499 A500 K539 | S499-E503 WeakPolarHBondContact O-CG 3.32Å; S499-E503 PolarHBondContact O-N 3.47Å; A500-E503 PolarHBondContact O-N 3.04Å; E503-K539 IonicContact OE1-NZ 3.91Å; E503-K539 PolarHBondContact OE1-NZ 3.39Å; E503-K539 IonicContact OE2-NZ 3.91Å |
| 504 | L | 81.6 | Confident | 84.3 | Confident | 22 Ų | 22 | 60.3 Ų | 60.3 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -88.1 | -6.8 | 177.2 | -66.1 | 171.9 | 0 | 0 | 0 | 113.2 | A500 A501 R502 L506 V512 F540 F552 | A500-L504 WeakPolarHBondContact O-CB 3.37Å; A500-L504 VanDerWaalsContact O-CG 3.31Å; A500-L504 WeakPolarHBondContact O-CG 3.4Å; A500-L504 PolarHBondContact O-N 2.95Å; A501-L504 PolarHBondContact O-N 2.94Å; R502-L504 VanDerWaalsContact C-N 3.31Å; R502-L504 PolarHBondContact O-N 3.01Å; L504-L506 VanDerWaalsContact C-N 3.28Å; L504-L506 HydrophobicContact CB-CB 4.37Å; L504-L506 HydrophobicContact CB-CD1 3.95Å; L504-L506 HydrophobicContact CB-CG 4.04Å; L504-L506 HydrophobicContact CD1-CD1 4.46Å; L504-L506 PolarHBondContact O-N 2.9Å; L504-V512 HydrophobicContact CD1-CG2 4.35Å; L504-F540 HydrophobicContact CD1-CE2 4.33Å; L504-F540 HydrophobicContact CD1-CZ 4.44Å; L504-F540 HydrophobicContact CD2-CD2 4.05Å; L504-F540 HydrophobicContact CD2-CE2 3.79Å; L504-F540 HydrophobicContact CG-CE2 3.97Å; L504-F540 HydrophobicContact CG-CZ 4.35Å; L504-F552 HydrophobicContact CD1-CE2 4.1Å; L504-F552 HydrophobicContact CD1-CZ 3.87Å |
| 505 | G | 81.1 | Confident | 84.3 | Confident | 69 Ų | 69 | 57.9 Ų | 57.9 | 71% | 0.711 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 27.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A501 R502 | A501-G505 PolarHBondContact O-N 2.75Å; R502-G505 PolarHBondContact O-N 3.17Å |
| 506 | L | 83.4 | Confident | 84.1 | Confident | 30 Ų | 30 | 58.8 Ų | 58.8 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | trans | -115.3 | 157.5 | -173.6 | -67 | 178.3 | 0 | 0 | 0 | 111.4 | A501 L504 V512 V526 E530 | A501-L506 CarbonylContact C-O 3.55Å; A501-L506 WeakPolarHBondContact CB-O 3.49Å; A501-L506 PolarHBondContact O-N 3.27Å; A501-L506 VanDerWaalsContact O-O 3.11Å; L504-L506 VanDerWaalsContact C-N 3.28Å; L504-L506 HydrophobicContact CB-CB 4.37Å; L504-L506 HydrophobicContact CB-CD1 3.95Å; L504-L506 HydrophobicContact CB-CG 4.04Å; L504-L506 HydrophobicContact CD1-CD1 4.46Å; L504-L506 PolarHBondContact O-N 2.9Å; L506-V512 HydrophobicContact CB-CG2 3.89Å; L506-V512 HydrophobicContact CD1-CG2 3.64Å; L506-V512 HydrophobicContact CG-CG2 4.43Å; L506-V526 HydrophobicContact CD1-CG2 3.91Å; L506-E530 HydrophobicContact CD1-CB 4.18Å; L506-E530 HydrophobicContact CD1-CG 4.48Å; L506-E530 HydrophobicContact CD2-CB 4.47Å; L506-E530 HydrophobicContact CD2-CG 3.96Å | ||
| 507 | E | 80.4 | Confident | 83.9 | Confident | 116 Ų | 116 | 61.2 Ų | 61.2 | 54% | 0.542 | 34% | 0.342 | S | S | . | . | trans | -77.6 | 123.4 | 176.2 | -69.7 | -177.9 | 174.8 | 0 | 0 | 111 | K510 T511 V512 | E507-K510 HydrophobicContact CB-CB 4.27Å; E507-K510 WeakPolarHBondContact OE2-CD 3.41Å; E507-K510 IonicContact OE2-NZ 3.27Å; E507-T511 PolarHBondContact N-OG1 3.15Å; E507-T511 PolarHBondContact O-N 3.27Å; E507-T511 VanDerWaalsContact O-N 3.13Å; E507-T511 PolarHBondContact O-OG1 3.15Å; E507-V512 PolarHBondContact O-N 2.98Å | ||
| 508 | A | 82.2 | Confident | 83.2 | Confident | 53 Ų | 53 | 65.6 Ų | 65.6 | 44% | 0.438 | 38% | 0.379 | S | S | . | . | B | Isolated β-bridge | trans | -64.2 | 136.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | A501 K510 | A501-A508 HydrophobicContact CB-CB 3.64Å; A508-K510 PolarHBondContact O-N 2.97Å |
| 509 | G | 75.8 | Confident | 82.7 | Confident | 44 Ų | 44 | 68.5 Ų | 68.5 | 45% | 0.454 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | -19.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | V512 K513 | G509-V512 PolarHBondContact N-O 3.36Å; G509-K513 WeakPolarHBondContact O-CE 3.29Å |
| 510 | K | 78 | Confident | 82.3 | Confident | 150 Ų | 150 | 68.8 Ų | 68.8 | 65% | 0.652 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -57.2 | 176.8 | -162.3 | -175.6 | -172.7 | 177.7 | 0 | 112.3 | E507 A508 | E507-K510 HydrophobicContact CB-CB 4.27Å; E507-K510 WeakPolarHBondContact OE2-CD 3.41Å; E507-K510 IonicContact OE2-NZ 3.27Å; A508-K510 PolarHBondContact O-N 2.97Å |
| 511 | T | 80.8 | Confident | 82.2 | Confident | 35 Ų | 35 | 69.5 Ų | 69.5 | 22% | 0.215 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -38 | -178.5 | 40.8 | 0 | 0 | 0 | 0 | 113.4 | E507 V526 | E507-T511 PolarHBondContact N-OG1 3.15Å; E507-T511 PolarHBondContact O-N 3.27Å; E507-T511 VanDerWaalsContact O-N 3.13Å; E507-T511 PolarHBondContact O-OG1 3.15Å; T511-V526 WeakPolarHBondContact O-CA 3.22Å |
| 512 | V | 84.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125 | 171.5 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | L497 L504 L506 E507 G509 L524 R525 V526 F552 | L497-V512 HydrophobicContact CD1-CB 4.31Å; L497-V512 HydrophobicContact CD1-CG1 3.75Å; L504-V512 HydrophobicContact CD1-CG2 4.35Å; L506-V512 HydrophobicContact CB-CG2 3.89Å; L506-V512 HydrophobicContact CD1-CG2 3.64Å; L506-V512 HydrophobicContact CG-CG2 4.43Å; E507-V512 PolarHBondContact O-N 2.98Å; G509-V512 PolarHBondContact N-O 3.36Å; V512-L524 HydrophobicContact CG1-CB 4.29Å; V512-L524 HydrophobicContact CG1-CD2 4.2Å; V512-R525 WeakPolarHBondContact CA-O 3.34Å; V512-V526 HydrophobicContact CG2-CG2 4.22Å; V512-F552 HydrophobicContact CG1-CE1 4.47Å; V512-F552 HydrophobicContact CG1-CZ 3.97Å |
| 513 | K | 88.7 | Confident | 82.6 | Confident | 83 Ų | 83 | 60.5 Ų | 60.5 | 36% | 0.361 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 143.3 | 179.7 | -63.7 | -170.4 | -177.6 | -168.7 | 0 | 110.5 | G509 E515 L524 R525 | G509-K513 WeakPolarHBondContact O-CE 3.29Å; K513-E515 HydrophobicContact CB-CG 4.36Å; K513-L524 CarbonylContact O-C 3.55Å; K513-L524 WeakPolarHBondContact O-CA 3.46Å; K513-R525 PolarHBondContact N-O 3.42Å; K513-R525 PolarHBondContact O-N 3.49Å |
| 514 | L | 89.4 | Confident | 83 | Confident | 36 Ų | 36 | 55.9 Ų | 55.9 | 19% | 0.188 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 121.2 | 165.8 | -174.5 | 68.1 | 0 | 0 | 0 | 107.4 | M493 L497 F522 L524 L557 | M493-L514 HydrophobicContact CB-CD2 3.98Å; L497-L514 HydrophobicContact CD2-CB 4.08Å; L514-F522 HydrophobicContact CD1-CB 4.28Å; L514-F522 HydrophobicContact CD1-CD1 4.25Å; L514-F522 HydrophobicContact CD2-CD1 4.14Å; L514-F522 HydrophobicContact CG-CD1 4.01Å; L514-L524 HydrophobicContact CB-CD2 4.33Å; L514-L524 HydrophobicContact CD1-CD2 3.97Å; L514-L557 HydrophobicContact CD1-CD1 4.25Å; L514-L557 HydrophobicContact CD1-CD2 4.4Å |
| 515 | E | 87.9 | Confident | 83.4 | Confident | 53 Ų | 53 | 57.2 Ų | 57.2 | 25% | 0.248 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 152.4 | 178.6 | -71.5 | 177.1 | -175.1 | 0 | 0 | 108.6 | K513 F522 Y523 R525 | K513-E515 HydrophobicContact CB-CG 4.36Å; E515-F522 WeakPolarHBondContact O-CA 3.46Å; E515-Y523 HydrophobicContact CB-CD2 4.5Å; E515-Y523 HydrophobicContact CB-CE1 4.47Å; E515-Y523 HydrophobicContact CB-CE2 3.8Å; E515-Y523 PolarHBondContact N-O 2.84Å; E515-Y523 PolarHBondContact O-N 3.15Å; E515-Y523 VanDerWaalsContact O-O 3.08Å; E515-R525 IonicContact OE1-CZ 3.67Å; E515-R525 VanDerWaalsContact OE1-CZ 3.22Å; E515-R525 IonicContact OE1-NE 3.08Å; E515-R525 PolarHBondContact OE1-NE 3.42Å; E515-R525 IonicContact OE1-NH2 3.23Å; E515-R525 PolarHBondContact OE1-NH2 3.25Å; E515-R525 VanDerWaalsContact OE2-CD 3.3Å; E515-R525 WeakPolarHBondContact OE2-CD 3.36Å; E515-R525 IonicContact OE2-NE 2.68Å; E515-R525 PolarHBondContact OE2-NE 3.49Å; E515-R525 VanDerWaalsContact OE2-NE 3.08Å |
| 516 | S | 84.3 | Confident | 83.8 | Confident | 78 Ų | 78 | 54 Ų | 54 | 55% | 0.545 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 150.5 | 175.7 | 61.4 | 0 | 0 | 0 | 0 | 110.8 | G521 | S516-G521 CarbonylContact C-O 3.42Å; S516-G521 WeakPolarHBondContact CA-O 3.47Å |
| 517 | N | 83.2 | Confident | 83.8 | Confident | 63 Ų | 63 | 54.8 Ų | 54.8 | 34% | 0.337 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 148.3 | 172.3 | -177.2 | 18.9 | 0 | 0 | 0 | 109.3 | V519 L520 G521 Y523 | N517-V519 PolarHBondContact O-N 3.46Å; N517-L520 PolarHBondContact O-N 3.32Å; N517-G521 PolarHBondContact N-O 3.06Å; N517-G521 WeakPolarHBondContact O-CA 3.31Å; N517-G521 PolarHBondContact O-N 3.04Å; N517-Y523 HydrophobicContact CB-CE1 3.64Å |
| 518 | A | 73.5 | Confident | 83.8 | Confident | 99 Ų | 99 | 52.1 Ų | 52.1 | 82% | 0.818 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -33.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 519 | V | 76.3 | Confident | 83.7 | Confident | 128 Ų | 128 | 58.3 Ų | 58.3 | 78% | 0.776 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -33.5 | -176.8 | -177.3 | 0 | 0 | 0 | 0 | 113.1 | N517 | N517-V519 PolarHBondContact O-N 3.46Š|
| 520 | L | 77.1 | Confident | 83.8 | Confident | 63 Ų | 63 | 59.3 Ų | 59.3 | 33% | 0.33 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -8.8 | -171 | -69.4 | 169.3 | 0 | 0 | 0 | 113.3 | N517 Y523 N561 | N517-L520 PolarHBondContact O-N 3.32Å; L520-Y523 HydrophobicContact CB-CD1 4.25Å; L520-N561 PolarHBondContact O-ND2 3.1Å; L520-N561 VanDerWaalsContact O-ND2 3.13Å |
| 521 | G | 84.3 | Confident | 84 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 16% | 0.155 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.4 | -144.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S516 N517 Y523 | S516-G521 CarbonylContact C-O 3.42Å; S516-G521 WeakPolarHBondContact CA-O 3.47Å; N517-G521 PolarHBondContact N-O 3.06Å; N517-G521 WeakPolarHBondContact O-CA 3.31Å; N517-G521 PolarHBondContact O-N 3.04Å; G521-Y523 WeakPolarHBondContact O-CD1 3.36Å |
| 522 | F | 89.1 | Confident | 83.9 | Confident | 29 Ų | 29 | 60.5 Ų | 60.5 | 13% | 0.127 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 131.5 | 176.5 | -73.7 | -85.6 | 0 | 0 | 0 | 112.5 | E490 M493 L514 E515 N561 Y564 | E490-F522 HydrophobicContact CG-CZ 4.22Å; M493-F522 HydrophobicContact CE-CD2 4.09Å; M493-F522 HydrophobicContact SD-CB 3.77Å; M493-F522 HydrophobicContact SD-CD1 4.23Å; M493-F522 HydrophobicContact SD-CD2 3.62Å; M493-F522 HydrophobicContact SD-CE2 4.2Å; M493-F522 HydrophobicContact SD-CG 3.62Å; L514-F522 HydrophobicContact CD1-CB 4.28Å; L514-F522 HydrophobicContact CD1-CD1 4.25Å; L514-F522 HydrophobicContact CD2-CD1 4.14Å; L514-F522 HydrophobicContact CG-CD1 4.01Å; E515-F522 WeakPolarHBondContact O-CA 3.46Å; F522-N561 PolarHBondContact N-OD1 2.9Å; F522-Y564 HydrophobicContact CD2-CD1 4.01Å; F522-Y564 HydrophobicContact CD2-CE1 4.2Å; F522-Y564 HydrophobicContact CD2-CG 4.41Å; F522-Y564 AromaticContact CE2-CD1 3.69Å; F522-Y564 HydrophobicContact CE2-CD1 3.69Å; F522-Y564 HydrophobicContact CE2-CD2 4.33Å; F522-Y564 AromaticContact CE2-CE1 3.45Å; F522-Y564 HydrophobicContact CE2-CE1 3.45Å; F522-Y564 VanDerWaalsContact CE2-CE1 3.45Å; F522-Y564 HydrophobicContact CE2-CE2 4.1Å; F522-Y564 HydrophobicContact CE2-CG 4.15Å; F522-Y564 AromaticContact CE2-CZ 3.66Å; F522-Y564 HydrophobicContact CZ-CE1 4.42Å |
| 523 | Y | 90.4 | Very high | 83.4 | Confident | 7 Ų | 7 | 62.5 Ų | 62.5 | 3% | 0.027 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 161.9 | 175.3 | 58.9 | -88.3 | 0 | 0 | 0 | 111 | E515 N517 L520 G521 R525 R551 | E515-Y523 HydrophobicContact CB-CD2 4.5Å; E515-Y523 HydrophobicContact CB-CE1 4.47Å; E515-Y523 HydrophobicContact CB-CE2 3.8Å; E515-Y523 PolarHBondContact N-O 2.84Å; E515-Y523 PolarHBondContact O-N 3.15Å; E515-Y523 VanDerWaalsContact O-O 3.08Å; N517-Y523 HydrophobicContact CB-CE1 3.64Å; L520-Y523 HydrophobicContact CB-CD1 4.25Å; G521-Y523 WeakPolarHBondContact O-CD1 3.36Å; Y523-R525 HydrophobicContact CE2-CB 4.38Å; Y523-R551 HydrophobicContact CD2-CB 3.75Å; Y523-R551 HydrophobicContact CD2-CG 3.65Å; Y523-R551 HydrophobicContact CE2-CB 4.1Å; Y523-R551 HydrophobicContact CE2-CG 3.45Å; Y523-R551 VanDerWaalsContact CE2-CG 3.45Å; Y523-R551 HydrophobicContact CG-CB 4.46Å; Y523-R551 VanDerWaalsContact OH-CZ 3.31Å; Y523-R551 PolarHBondContact OH-NE 2.94Å; Y523-R551 PolarHBondContact OH-NH2 3.18Å |
| 524 | L | 89.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 136.9 | 171.9 | -63.1 | 170.6 | 0 | 0 | 0 | 109.6 | L497 A500 V512 K513 L514 R551 F552 L557 | L497-L524 HydrophobicContact CB-CD2 4.24Å; L497-L524 HydrophobicContact CD1-CD2 3.54Å; A500-L524 HydrophobicContact CB-CD1 3.76Å; V512-L524 HydrophobicContact CG1-CB 4.29Å; V512-L524 HydrophobicContact CG1-CD2 4.2Å; K513-L524 CarbonylContact O-C 3.55Å; K513-L524 WeakPolarHBondContact O-CA 3.46Å; L514-L524 HydrophobicContact CB-CD2 4.33Å; L514-L524 HydrophobicContact CD1-CD2 3.97Å; L524-R551 CarbonylContact O-C 3.52Å; L524-R551 WeakPolarHBondContact O-CA 3.46Å; L524-F552 HydrophobicContact CB-CD1 4.16Å; L524-F552 HydrophobicContact CB-CD2 4.13Å; L524-F552 HydrophobicContact CB-CE1 3.72Å; L524-F552 HydrophobicContact CB-CE2 3.74Å; L524-F552 HydrophobicContact CB-CG 4.34Å; L524-F552 HydrophobicContact CB-CZ 3.53Å; L524-F552 WeakPolarHBondContact CB-O 3.45Å; L524-F552 HydrophobicContact CD1-CD2 4.38Å; L524-F552 HydrophobicContact CD1-CE2 3.68Å; L524-F552 HydrophobicContact CD1-CZ 4.04Å; L524-F552 HydrophobicContact CG-CE2 4.37Å; L524-F552 HydrophobicContact CG-CZ 4.43Å; L524-F552 PolarHBondContact N-O 3.41Å; L524-F552 WeakPolarHBondContact O-CD1 2.91Å; L524-F552 PolarHBondContact O-N 2.78Å; L524-F552 VanDerWaalsContact O-O 3.12Å; L524-L557 HydrophobicContact CD1-CD2 4.13Å; L524-L557 HydrophobicContact CD2-CD2 4.46Å; L524-L557 HydrophobicContact CG-CD2 3.71Å |
| 525 | R | 90 | Very high | 81.9 | Confident | 50 Ų | 50 | 66.1 Ų | 66.1 | 19% | 0.189 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 134.9 | 171.7 | -174.3 | -178.9 | 62.7 | 100.4 | -2.1 | 110.3 | V512 K513 E515 Y523 N548 V550 | V512-R525 WeakPolarHBondContact CA-O 3.34Å; K513-R525 PolarHBondContact N-O 3.42Å; K513-R525 PolarHBondContact O-N 3.49Å; E515-R525 IonicContact OE1-CZ 3.67Å; E515-R525 VanDerWaalsContact OE1-CZ 3.22Å; E515-R525 IonicContact OE1-NE 3.08Å; E515-R525 PolarHBondContact OE1-NE 3.42Å; E515-R525 IonicContact OE1-NH2 3.23Å; E515-R525 PolarHBondContact OE1-NH2 3.25Å; E515-R525 VanDerWaalsContact OE2-CD 3.3Å; E515-R525 WeakPolarHBondContact OE2-CD 3.36Å; E515-R525 IonicContact OE2-NE 2.68Å; E515-R525 PolarHBondContact OE2-NE 3.49Å; E515-R525 VanDerWaalsContact OE2-NE 3.08Å; Y523-R525 HydrophobicContact CE2-CB 4.38Å; R525-N548 PolarHBondContact NH1-O 2.96Å; R525-V550 WeakPolarHBondContact CA-O 3.25Å |
| 526 | V | 89.4 | Confident | 81 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.006 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 156 | 166.8 | 75.1 | 0 | 0 | 0 | 0 | 111 | L506 T511 V512 E530 L534 G549 V550 F552 | L506-V526 HydrophobicContact CD1-CG2 3.91Å; T511-V526 WeakPolarHBondContact O-CA 3.22Å; V512-V526 HydrophobicContact CG2-CG2 4.22Å; V526-E530 HydrophobicContact CG2-CB 3.6Å; V526-E530 HydrophobicContact CG2-CG 4.5Å; V526-L534 HydrophobicContact CB-CD1 4.39Å; V526-L534 HydrophobicContact CG1-CD1 3.31Å; V526-G549 CarbonylContact O-C 3.56Å; V526-G549 WeakPolarHBondContact O-CA 3.45Å; V526-V550 HydrophobicContact CG1-CB 4.26Å; V526-V550 PolarHBondContact N-O 3.43Å; V526-V550 PolarHBondContact O-N 3.41Å; V526-F552 HydrophobicContact CB-CE1 3.85Å; V526-F552 HydrophobicContact CG1-CD1 4.33Å; V526-F552 HydrophobicContact CG1-CE1 4.05Å |
| 527 | T | 85.2 | Confident | 80.4 | Confident | 48 Ų | 48 | 69 Ų | 69 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | trans | -67 | 152 | 172.4 | 73.4 | 0 | 0 | 0 | 0 | 112.4 | K529 E530 E531 | T527-K529 PolarHBondContact O-N 3.17Å; T527-K529 VanDerWaalsContact O-N 3.12Å; T527-E530 PolarHBondContact O-N 2.84Å; T527-E530 VanDerWaalsContact O-N 3.07Å; T527-E531 PolarHBondContact O-N 3.17Å | ||
| 528 | C | 80.3 | Confident | 79.9 | Confident | 60 Ų | 60 | 76 Ų | 76 | 41% | 0.405 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -60.9 | -23.1 | 179.2 | -57.3 | 0 | 0 | 0 | 0 | 113.8 | E530 E531 G549 | C528-E530 VanDerWaalsContact C-N 3.28Å; C528-E530 PolarHBondContact O-N 2.98Å; C528-E531 WeakPolarHBondContact O-CB 3.37Å; C528-E531 PolarHBondContact O-N 2.89Å; C528-G549 VanDerWaalsContact SG-CA 3.6Å |
| 529 | K | 79.8 | Confident | 80.3 | Confident | 182 Ų | 182 | 77.4 Ų | 77.4 | 79% | 0.791 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -64.8 | -35.7 | 176.5 | -67.4 | -175.2 | 179.2 | -178.6 | 0 | 112 | T527 | T527-K529 PolarHBondContact O-N 3.17Å; T527-K529 VanDerWaalsContact O-N 3.12Å |
| 530 | E | 77.5 | Confident | 80.7 | Confident | 66 Ų | 66 | 72 Ų | 72 | 31% | 0.308 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -99.1 | 7.9 | -175.3 | -62.1 | -57.1 | 149.2 | 0 | 0 | 112.8 | L506 V526 T527 C528 K532 S533 | L506-E530 HydrophobicContact CD1-CB 4.18Å; L506-E530 HydrophobicContact CD1-CG 4.48Å; L506-E530 HydrophobicContact CD2-CB 4.47Å; L506-E530 HydrophobicContact CD2-CG 3.96Å; V526-E530 HydrophobicContact CG2-CB 3.6Å; V526-E530 HydrophobicContact CG2-CG 4.5Å; T527-E530 PolarHBondContact O-N 2.84Å; T527-E530 VanDerWaalsContact O-N 3.07Å; C528-E530 VanDerWaalsContact C-N 3.28Å; C528-E530 PolarHBondContact O-N 2.98Å; E530-K532 PolarHBondContact O-N 3.31Å; E530-S533 WeakPolarHBondContact O-CB 3.4Å; E530-S533 PolarHBondContact O-N 3.34Å; E530-S533 VanDerWaalsContact O-N 3.1Å |
| 531 | E | 81.5 | Confident | 81.1 | Confident | 51 Ų | 51 | 73.1 Ų | 73.1 | 24% | 0.238 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.9 | -32.8 | 175.4 | -173.6 | -134.6 | 153.5 | 0 | 0 | 112.2 | T527 C528 S533 L534 R535 V550 | T527-E531 PolarHBondContact O-N 3.17Å; C528-E531 WeakPolarHBondContact O-CB 3.37Å; C528-E531 PolarHBondContact O-N 2.89Å; E531-S533 PolarHBondContact O-N 3.49Å; E531-L534 WeakPolarHBondContact O-CB 3.44Å; E531-L534 PolarHBondContact O-N 3.06Å; E531-R535 IonicContact OE1-CZ 3.16Å; E531-R535 IonicContact OE1-NE 2.85Å; E531-R535 PolarHBondContact OE1-NE 3.4Å; E531-R535 IonicContact OE1-NH2 2.7Å; E531-R535 PolarHBondContact OE1-NH2 3.15Å; E531-R535 IonicContact OE2-NH2 3.36Å; E531-R535 PolarHBondContact OE2-NH2 3.45Å; E531-V550 HydrophobicContact CB-CG2 4.21Å; E531-V550 HydrophobicContact CG-CB 4.45Å; E531-V550 HydrophobicContact CG-CG2 3.72Å |
| 532 | K | 79.4 | Confident | 81.2 | Confident | 159 Ų | 159 | 75.9 Ų | 75.9 | 69% | 0.691 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.7 | -30.8 | 179.3 | -63.4 | -178.5 | -177.3 | 178.3 | 0 | 112.2 | E530 L534 R535 | E530-K532 PolarHBondContact O-N 3.31Å; K532-L534 VanDerWaalsContact C-N 3.26Å; K532-L534 PolarHBondContact O-N 3.06Å; K532-R535 PolarHBondContact O-N 3.15Å |
| 533 | S | 73.6 | Confident | 81 | Confident | 41 Ų | 41 | 78.3 Ų | 78.3 | 29% | 0.287 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.3 | -22.1 | 178.9 | -53 | 0 | 0 | 0 | 0 | 112.4 | E530 E531 | E530-S533 WeakPolarHBondContact O-CB 3.4Å; E530-S533 PolarHBondContact O-N 3.34Å; E530-S533 VanDerWaalsContact O-N 3.1Å; E531-S533 PolarHBondContact O-N 3.49Å |
| 534 | L | 77.1 | Confident | 80.7 | Confident | 12 Ų | 12 | 81 Ų | 81 | 6% | 0.063 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -80.4 | -36.7 | 174.3 | -82.9 | 147.4 | 0 | 0 | 0 | 113.3 | V526 E531 K532 N536 N537 F540 V550 F552 | V526-L534 HydrophobicContact CB-CD1 4.39Å; V526-L534 HydrophobicContact CG1-CD1 3.31Å; E531-L534 WeakPolarHBondContact O-CB 3.44Å; E531-L534 PolarHBondContact O-N 3.06Å; K532-L534 VanDerWaalsContact C-N 3.26Å; K532-L534 PolarHBondContact O-N 3.06Å; L534-N536 PolarHBondContact O-N 3.16Å; L534-N536 VanDerWaalsContact O-N 3.13Å; L534-N537 PolarHBondContact O-N 3.12Å; L534-N537 VanDerWaalsContact O-N 3.12Å; L534-F540 HydrophobicContact CD2-CB 3.69Å; L534-F540 HydrophobicContact CD2-CG 4.19Å; L534-V550 HydrophobicContact CD1-CG1 4.49Å; L534-F552 HydrophobicContact CD1-CD1 3.74Å; L534-F552 HydrophobicContact CD1-CE1 4.04Å; L534-F552 HydrophobicContact CD1-CG 4.15Å; L534-F552 HydrophobicContact CD2-CB 3.91Å; L534-F552 HydrophobicContact CD2-CD1 3.9Å; L534-F552 HydrophobicContact CD2-CD2 3.48Å; L534-F552 VanDerWaalsContact CD2-CD2 3.48Å; L534-F552 HydrophobicContact CD2-CE1 4.29Å; L534-F552 HydrophobicContact CD2-CE2 3.88Å; L534-F552 HydrophobicContact CD2-CG 3.48Å; L534-F552 VanDerWaalsContact CD2-CG 3.48Å; L534-F552 HydrophobicContact CD2-CZ 4.26Å; L534-F552 HydrophobicContact CG-CD1 4.45Å; L534-F552 HydrophobicContact CG-CG 4.46Å |
| 535 | R | 70.8 | Confident | 80.5 | Confident | 184 Ų | 184 | 85.4 Ų | 85.4 | 69% | 0.694 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.1 | -25.7 | -177.3 | -67 | -173.1 | -170.6 | -149.1 | 6.7 | 113.4 | E531 K532 | E531-R535 IonicContact OE1-CZ 3.16Å; E531-R535 IonicContact OE1-NE 2.85Å; E531-R535 PolarHBondContact OE1-NE 3.4Å; E531-R535 IonicContact OE1-NH2 2.7Å; E531-R535 PolarHBondContact OE1-NH2 3.15Å; E531-R535 IonicContact OE2-NH2 3.36Å; E531-R535 PolarHBondContact OE2-NH2 3.45Å; K532-R535 PolarHBondContact O-N 3.15Å |
| 536 | N | 68.4 | Low | 80.1 | Confident | 148 Ų | 148 | 86.8 Ų | 86.8 | 79% | 0.791 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -9.1 | -177.7 | -66.8 | -16.5 | 0 | 0 | 0 | 113.5 | L534 | L534-N536 PolarHBondContact O-N 3.16Å; L534-N536 VanDerWaalsContact O-N 3.13Å |
| 537 | N | 72.6 | Confident | 79.5 | Confident | 42 Ų | 42 | 96.6 Ų | 96.6 | 23% | 0.225 | 47% | 0.471 | C | S | . | . | trans | -116.5 | 109.1 | -172.4 | -165.3 | -17.4 | 0 | 0 | 0 | 112.5 | L534 K539 F540 | L534-N537 PolarHBondContact O-N 3.12Å; L534-N537 VanDerWaalsContact O-N 3.12Å; N537-K539 PolarHBondContact O-N 3.46Å; N537-K539 WeakPolarHBondContact OD1-CB 3.3Å; N537-K539 PolarHBondContact OD1-N 3.01Å; N537-K539 VanDerWaalsContact OD1-N 3.14Å; N537-F540 HydrophobicContact CB-CD2 4.05Å; N537-F540 WeakPolarHBondContact ND2-CD2 3.46Å; N537-F540 VanDerWaalsContact ND2-CE2 3.31Å; N537-F540 WeakPolarHBondContact ND2-CE2 3.49Å; N537-F540 PolarHBondContact O-N 3.3Å | ||
| 538 | K | 72.8 | Confident | 79 | Confident | 212 Ų | 212 | 100.4 Ų | 100.4 | 92% | 0.922 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -10.4 | -178.7 | -63.1 | -174.5 | -179.5 | -178.2 | 0 | 114.6 | ||
| 539 | K | 80.4 | Confident | 79.2 | Confident | 128 Ų | 128 | 97.6 Ų | 97.6 | 56% | 0.557 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -18.9 | -179.9 | -66.9 | -179.3 | 175.2 | -179.2 | 0 | 113.7 | E503 N537 | E503-K539 IonicContact OE1-NZ 3.91Å; E503-K539 PolarHBondContact OE1-NZ 3.39Å; E503-K539 IonicContact OE2-NZ 3.91Å; N537-K539 PolarHBondContact O-N 3.46Å; N537-K539 WeakPolarHBondContact OD1-CB 3.3Å; N537-K539 PolarHBondContact OD1-N 3.01Å; N537-K539 VanDerWaalsContact OD1-N 3.14Å |
| 540 | F | 85.6 | Confident | 79.6 | Confident | 15 Ų | 15 | 89 Ų | 89 | 7% | 0.066 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 135.2 | -176.9 | -65.5 | -72.1 | 0 | 0 | 0 | 110.5 | A500 L504 L534 N537 F552 T553 N554 | A500-F540 HydrophobicContact CB-CE1 3.95Å; A500-F540 HydrophobicContact CB-CZ 3.96Å; L504-F540 HydrophobicContact CD1-CE2 4.33Å; L504-F540 HydrophobicContact CD1-CZ 4.44Å; L504-F540 HydrophobicContact CD2-CD2 4.05Å; L504-F540 HydrophobicContact CD2-CE2 3.79Å; L504-F540 HydrophobicContact CG-CE2 3.97Å; L504-F540 HydrophobicContact CG-CZ 4.35Å; L534-F540 HydrophobicContact CD2-CB 3.69Å; L534-F540 HydrophobicContact CD2-CG 4.19Å; N537-F540 HydrophobicContact CB-CD2 4.05Å; N537-F540 WeakPolarHBondContact ND2-CD2 3.46Å; N537-F540 VanDerWaalsContact ND2-CE2 3.31Å; N537-F540 WeakPolarHBondContact ND2-CE2 3.49Å; N537-F540 PolarHBondContact O-N 3.3Å; F540-F552 HydrophobicContact CB-CD2 4.03Å; F540-F552 AromaticContact CD1-CD2 3.62Å; F540-F552 HydrophobicContact CD1-CD2 3.62Å; F540-F552 AromaticContact CD1-CE2 3.6Å; F540-F552 HydrophobicContact CD1-CE2 3.6Å; F540-F552 HydrophobicContact CE1-CD2 4.39Å; F540-F552 AromaticContact CE1-CE2 3.93Å; F540-F552 HydrophobicContact CE1-CE2 3.93Å; F540-F552 HydrophobicContact CG-CD2 4.03Å; F540-F552 HydrophobicContact CG-CE2 4.14Å; F540-T553 CarbonylContact C-O 3.53Å; F540-T553 WeakPolarHBondContact CA-O 3.4Å; F540-N554 HydrophobicContact CD1-CB 3.71Å; F540-N554 HydrophobicContact CE1-CB 3.82Å |
| 541 | T | 84.7 | Confident | 80.2 | Confident | 85 Ų | 85 | 87.2 Ų | 87.2 | 52% | 0.521 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 120.3 | 179.5 | -51.8 | 0 | 0 | 0 | 0 | 108.9 | F552 T553 | T541-F552 CarbonylContact O-C 3.52Å; T541-F552 VanDerWaalsContact O-CA 3.24Å; T541-F552 WeakPolarHBondContact O-CA 3.43Å; T541-F552 WeakPolarHBondContact O-CB 3.45Å; T541-T553 PolarHBondContact N-O 2.83Å; T541-T553 PolarHBondContact O-N 3.32Å |
| 542 | T | 86.7 | Confident | 80.5 | Confident | 74 Ų | 74 | 84.8 Ų | 84.8 | 45% | 0.454 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 132.2 | 176.6 | -53.4 | 0 | 0 | 0 | 0 | 110.3 | V545 V550 | T542-V545 HydrophobicContact CG2-CG2 4.33Å; T542-V550 HydrophobicContact CG2-CG1 3.46Å; T542-V550 VanDerWaalsContact CG2-CG1 3.46Å |
| 543 | L | 84.8 | Confident | 81 | Confident | 79 Ų | 79 | 77.9 Ų | 77.9 | 41% | 0.414 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -56.1 | 179.7 | -64.8 | 172.2 | 0 | 0 | 0 | 111.6 | R551 T553 | L543-R551 HydrophobicContact CB-CB 4.44Å; L543-R551 PolarHBondContact N-O 3.09Å; L543-T553 HydrophobicContact CD1-CG2 4.26Å; L543-T553 HydrophobicContact CD2-CG2 4.13Å; L543-T553 HydrophobicContact CG-CG2 4.22Å |
| 544 | D | 84.8 | Confident | 81.8 | Confident | 64 Ų | 64 | 76.8 Ų | 76.8 | 34% | 0.342 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 150.7 | -174.9 | -177.1 | 27.1 | 0 | 0 | 0 | 110.7 | Q546 R551 | D544-Q546 WeakPolarHBondContact OD2-CG 3.22Å; D544-Q546 PolarHBondContact OD2-NE2 3.3Å; D544-R551 PolarHBondContact N-O 3.45Å; D544-R551 PolarHBondContact O-N 3.31Å |
| 545 | V | 84.4 | Confident | 82.3 | Confident | 93 Ų | 93 | 81.2 Ų | 81.2 | 56% | 0.564 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 112.8 | 178.6 | 176.8 | 0 | 0 | 0 | 0 | 108.7 | T542 V550 | T542-V545 HydrophobicContact CG2-CG2 4.33Å; V545-V550 HydrophobicContact CB-CG2 4.4Å; V545-V550 HydrophobicContact CG1-CG2 4.01Å; V545-V550 HydrophobicContact CG2-CG1 4.09Å; V545-V550 HydrophobicContact CG2-CG2 4.01Å |
| 546 | Q | 82.1 | Confident | 83.2 | Confident | 79 Ų | 79 | 78.1 Ų | 78.1 | 37% | 0.369 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 163.2 | 178.2 | -60.8 | -163.5 | -7.2 | 0 | 0 | 111.6 | D544 N548 G549 R551 | D544-Q546 WeakPolarHBondContact OD2-CG 3.22Å; D544-Q546 PolarHBondContact OD2-NE2 3.3Å; Q546-N548 PolarHBondContact O-N 3.04Å; Q546-G549 PolarHBondContact N-O 3.45Å; Q546-G549 PolarHBondContact O-N 3.1Å; Q546-G549 VanDerWaalsContact O-N 3.07Å; Q546-R551 VanDerWaalsContact NE2-CZ 3.29Å; Q546-R551 VanDerWaalsContact NE2-NH1 3.1Å |
| 547 | K | 77.4 | Confident | 84.2 | Confident | 206 Ų | 206 | 71.1 Ų | 71.1 | 90% | 0.896 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -28.8 | 177.8 | -70.5 | -173.2 | 178.1 | -177.3 | 0 | 113.2 | ||
| 548 | N | 73.4 | Confident | 85 | Confident | 128 Ų | 128 | 71 Ų | 71 | 68% | 0.684 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -0.9 | -176.3 | -64.3 | -9.1 | 0 | 0 | 0 | 113.9 | R525 Q546 | R525-N548 PolarHBondContact NH1-O 2.96Å; Q546-N548 PolarHBondContact O-N 3.04Å |
| 549 | G | 85 | Confident | 85.8 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.1 | 171.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V526 C528 Q546 | V526-G549 CarbonylContact O-C 3.56Å; V526-G549 WeakPolarHBondContact O-CA 3.45Å; C528-G549 VanDerWaalsContact SG-CA 3.6Å; Q546-G549 PolarHBondContact N-O 3.45Å; Q546-G549 PolarHBondContact O-N 3.1Å; Q546-G549 VanDerWaalsContact O-N 3.07Å |
| 550 | V | 88.2 | Confident | 86.3 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127.9 | 176.2 | 178.5 | 0 | 0 | 0 | 0 | 109.4 | R525 V526 E531 L534 T542 V545 | R525-V550 WeakPolarHBondContact CA-O 3.25Å; V526-V550 HydrophobicContact CG1-CB 4.26Å; V526-V550 PolarHBondContact N-O 3.43Å; V526-V550 PolarHBondContact O-N 3.41Å; E531-V550 HydrophobicContact CB-CG2 4.21Å; E531-V550 HydrophobicContact CG-CB 4.45Å; E531-V550 HydrophobicContact CG-CG2 3.72Å; L534-V550 HydrophobicContact CD1-CG1 4.49Å; T542-V550 HydrophobicContact CG2-CG1 3.46Å; T542-V550 VanDerWaalsContact CG2-CG1 3.46Å; V545-V550 HydrophobicContact CB-CG2 4.4Å; V545-V550 HydrophobicContact CG1-CG2 4.01Å; V545-V550 HydrophobicContact CG2-CG1 4.09Å; V545-V550 HydrophobicContact CG2-CG2 4.01Å |
| 551 | R | 89.6 | Confident | 86.6 | Confident | 30 Ų | 30 | 58 Ų | 58 | 11% | 0.113 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 130.2 | 177.3 | -60.2 | -179 | 174 | 169 | -6 | 108.8 | Y523 L524 L543 D544 Q546 | Y523-R551 HydrophobicContact CD2-CB 3.75Å; Y523-R551 HydrophobicContact CD2-CG 3.65Å; Y523-R551 HydrophobicContact CE2-CB 4.1Å; Y523-R551 HydrophobicContact CE2-CG 3.45Å; Y523-R551 VanDerWaalsContact CE2-CG 3.45Å; Y523-R551 HydrophobicContact CG-CB 4.46Å; Y523-R551 VanDerWaalsContact OH-CZ 3.31Å; Y523-R551 PolarHBondContact OH-NE 2.94Å; Y523-R551 PolarHBondContact OH-NH2 3.18Å; L524-R551 CarbonylContact O-C 3.52Å; L524-R551 WeakPolarHBondContact O-CA 3.46Å; L543-R551 HydrophobicContact CB-CB 4.44Å; L543-R551 PolarHBondContact N-O 3.09Å; D544-R551 PolarHBondContact N-O 3.45Å; D544-R551 PolarHBondContact O-N 3.31Å; Q546-R551 VanDerWaalsContact NE2-CZ 3.29Å; Q546-R551 VanDerWaalsContact NE2-NH1 3.1Å |
| 552 | F | 89.3 | Confident | 86.9 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 163.6 | -178.5 | 68.2 | -81.2 | 0 | 0 | 0 | 110.7 | L504 V512 L524 V526 L534 F540 T541 | L504-F552 HydrophobicContact CD1-CE2 4.1Å; L504-F552 HydrophobicContact CD1-CZ 3.87Å; V512-F552 HydrophobicContact CG1-CE1 4.47Å; V512-F552 HydrophobicContact CG1-CZ 3.97Å; L524-F552 HydrophobicContact CB-CD1 4.16Å; L524-F552 HydrophobicContact CB-CD2 4.13Å; L524-F552 HydrophobicContact CB-CE1 3.72Å; L524-F552 HydrophobicContact CB-CE2 3.74Å; L524-F552 HydrophobicContact CB-CG 4.34Å; L524-F552 HydrophobicContact CB-CZ 3.53Å; L524-F552 WeakPolarHBondContact CB-O 3.45Å; L524-F552 HydrophobicContact CD1-CD2 4.38Å; L524-F552 HydrophobicContact CD1-CE2 3.68Å; L524-F552 HydrophobicContact CD1-CZ 4.04Å; L524-F552 HydrophobicContact CG-CE2 4.37Å; L524-F552 HydrophobicContact CG-CZ 4.43Å; L524-F552 PolarHBondContact N-O 3.41Å; L524-F552 WeakPolarHBondContact O-CD1 2.91Å; L524-F552 PolarHBondContact O-N 2.78Å; L524-F552 VanDerWaalsContact O-O 3.12Å; V526-F552 HydrophobicContact CB-CE1 3.85Å; V526-F552 HydrophobicContact CG1-CD1 4.33Å; V526-F552 HydrophobicContact CG1-CE1 4.05Å; L534-F552 HydrophobicContact CD1-CD1 3.74Å; L534-F552 HydrophobicContact CD1-CE1 4.04Å; L534-F552 HydrophobicContact CD1-CG 4.15Å; L534-F552 HydrophobicContact CD2-CB 3.91Å; L534-F552 HydrophobicContact CD2-CD1 3.9Å; L534-F552 HydrophobicContact CD2-CD2 3.48Å; L534-F552 VanDerWaalsContact CD2-CD2 3.48Å; L534-F552 HydrophobicContact CD2-CE1 4.29Å; L534-F552 HydrophobicContact CD2-CE2 3.88Å; L534-F552 HydrophobicContact CD2-CG 3.48Å; L534-F552 VanDerWaalsContact CD2-CG 3.48Å; L534-F552 HydrophobicContact CD2-CZ 4.26Å; L534-F552 HydrophobicContact CG-CD1 4.45Å; L534-F552 HydrophobicContact CG-CG 4.46Å; F540-F552 HydrophobicContact CB-CD2 4.03Å; F540-F552 AromaticContact CD1-CD2 3.62Å; F540-F552 HydrophobicContact CD1-CD2 3.62Å; F540-F552 AromaticContact CD1-CE2 3.6Å; F540-F552 HydrophobicContact CD1-CE2 3.6Å; F540-F552 HydrophobicContact CE1-CD2 4.39Å; F540-F552 AromaticContact CE1-CE2 3.93Å; F540-F552 HydrophobicContact CE1-CE2 3.93Å; F540-F552 HydrophobicContact CG-CD2 4.03Å; F540-F552 HydrophobicContact CG-CE2 4.14Å; T541-F552 CarbonylContact O-C 3.52Å; T541-F552 VanDerWaalsContact O-CA 3.24Å; T541-F552 WeakPolarHBondContact O-CA 3.43Å; T541-F552 WeakPolarHBondContact O-CB 3.45Å |
| 553 | T | 90.3 | Very high | 87.1 | Confident | 13 Ų | 13 | 61.2 Ų | 61.2 | 8% | 0.08 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 172.4 | 176.6 | -169.6 | 0 | 0 | 0 | 0 | 110.1 | F540 T541 L543 | F540-T553 CarbonylContact C-O 3.53Å; F540-T553 WeakPolarHBondContact CA-O 3.4Å; T541-T553 PolarHBondContact N-O 2.83Å; T541-T553 PolarHBondContact O-N 3.32Å; L543-T553 HydrophobicContact CD1-CG2 4.26Å; L543-T553 HydrophobicContact CD2-CG2 4.13Å; L543-T553 HydrophobicContact CG-CG2 4.22Å |
| 554 | N | 89.4 | Confident | 87.4 | Confident | 19 Ų | 19 | 58.2 Ų | 58.2 | 10% | 0.102 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 168.6 | 167 | 65.5 | 12.4 | 0 | 0 | 0 | 109.6 | F540 K556 L557 S558 | F540-N554 HydrophobicContact CD1-CB 3.71Å; F540-N554 HydrophobicContact CE1-CB 3.82Å; N554-K556 PolarHBondContact O-N 3.01Å; N554-K556 PolarHBondContact OD1-N 3.38Å; N554-L557 PolarHBondContact O-N 2.97Å; N554-L557 WeakPolarHBondContact OD1-CA 3.16Å; N554-L557 WeakPolarHBondContact OD1-CB 3.22Å; N554-L557 PolarHBondContact OD1-N 3.15Å; N554-S558 WeakPolarHBondContact O-CB 3.45Å; N554-S558 PolarHBondContact O-N 3.39Å |
| 555 | S | 88.1 | Confident | 87.6 | Confident | 104 Ų | 104 | 57.4 Ų | 57.4 | 73% | 0.727 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -55.9 | -37.1 | -178.2 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | S559 | S555-S559 PolarHBondContact O-N 2.56Å; S555-S559 VanDerWaalsContact O-N 3.09Å; S555-S559 PolarHBondContact O-OG 3.2Å |
| 556 | K | 88.8 | Confident | 87.8 | Confident | 120 Ų | 120 | 60.4 Ų | 60.4 | 52% | 0.522 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.6 | -43.7 | 179.6 | -173.5 | 59.1 | -178.3 | 169.7 | 0 | 112.6 | V496 N554 S559 L560 | V496-K556 HydrophobicContact CG2-CG 4.02Å; N554-K556 PolarHBondContact O-N 3.01Å; N554-K556 PolarHBondContact OD1-N 3.38Å; K556-S559 PolarHBondContact O-N 3.35Å; K556-S559 PolarHBondContact O-OG 2.89Å; K556-L560 HydrophobicContact CG-CD1 4.45Å; K556-L560 WeakPolarHBondContact O-CG 3.43Å; K556-L560 PolarHBondContact O-N 3.05Å; K556-L560 VanDerWaalsContact O-N 3.07Å |
| 557 | L | 89.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 177 | -177.1 | 62.7 | 0 | 0 | 0 | 110.7 | M493 V496 L514 L524 N554 S559 L560 N561 | M493-L557 HydrophobicContact CB-CD1 4.1Å; M493-L557 HydrophobicContact CG-CD1 3.83Å; M493-L557 HydrophobicContact SD-CD1 4.21Å; V496-L557 HydrophobicContact CG1-CB 4.22Å; L514-L557 HydrophobicContact CD1-CD1 4.25Å; L514-L557 HydrophobicContact CD1-CD2 4.4Å; L524-L557 HydrophobicContact CD1-CD2 4.13Å; L524-L557 HydrophobicContact CD2-CD2 4.46Å; L524-L557 HydrophobicContact CG-CD2 3.71Å; N554-L557 PolarHBondContact O-N 2.97Å; N554-L557 WeakPolarHBondContact OD1-CA 3.16Å; N554-L557 WeakPolarHBondContact OD1-CB 3.22Å; N554-L557 PolarHBondContact OD1-N 3.15Å; L557-S559 PolarHBondContact O-N 3.31Å; L557-L560 PolarHBondContact O-N 2.76Å; L557-N561 WeakPolarHBondContact O-CB 3.39Å; L557-N561 PolarHBondContact O-N 3.1Å |
| 558 | S | 89.1 | Confident | 88.8 | Confident | 40 Ų | 40 | 52.8 Ų | 52.8 | 28% | 0.28 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.2 | -47.7 | 174 | -160 | 0 | 0 | 0 | 0 | 111.1 | N554 L560 N561 E562 | N554-S558 WeakPolarHBondContact O-CB 3.45Å; N554-S558 PolarHBondContact O-N 3.39Å; S558-L560 PolarHBondContact O-N 3.44Å; S558-N561 PolarHBondContact O-N 2.71Å; S558-E562 WeakPolarHBondContact O-CG 3.36Å; S558-E562 PolarHBondContact O-N 3.41Å; S558-E562 PolarHBondContact OG-OE1 3.49Å |
| 559 | S | 90.3 | Very high | 89.5 | Confident | 51 Ų | 51 | 51.9 Ų | 51.9 | 36% | 0.357 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 177.9 | 62.7 | 0 | 0 | 0 | 0 | 113.1 | S555 K556 L557 N561 E563 | S555-S559 PolarHBondContact O-N 2.56Å; S555-S559 VanDerWaalsContact O-N 3.09Å; S555-S559 PolarHBondContact O-OG 3.2Å; K556-S559 PolarHBondContact O-N 3.35Å; K556-S559 PolarHBondContact O-OG 2.89Å; L557-S559 PolarHBondContact O-N 3.31Å; S559-N561 VanDerWaalsContact C-N 3.33Å; S559-E563 PolarHBondContact O-N 3.42Å |
| 560 | L | 91.6 | Very high | 89.8 | Confident | 10 Ų | 10 | 56.4 Ų | 56.4 | 5% | 0.052 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.3 | -36.2 | 177.2 | -69.8 | 172.2 | 0 | 0 | 0 | 111 | L489 M493 V496 K556 L557 S558 E563 Y564 | L489-L560 HydrophobicContact CD2-CD2 3.68Å; M493-L560 HydrophobicContact CE-CB 3.76Å; M493-L560 WeakPolarHBondContact CE-O 3.33Å; M493-L560 HydrophobicContact CG-CB 3.98Å; M493-L560 HydrophobicContact CG-CD1 4.07Å; V496-L560 HydrophobicContact CG2-CD1 3.96Å; K556-L560 HydrophobicContact CG-CD1 4.45Å; K556-L560 WeakPolarHBondContact O-CG 3.43Å; K556-L560 PolarHBondContact O-N 3.05Å; K556-L560 VanDerWaalsContact O-N 3.07Å; L557-L560 PolarHBondContact O-N 2.76Å; S558-L560 PolarHBondContact O-N 3.44Å; L560-E563 PolarHBondContact O-N 3.47Å; L560-Y564 VanDerWaalsContact O-CB 3.22Å; L560-Y564 WeakPolarHBondContact O-CB 3.25Å; L560-Y564 PolarHBondContact O-N 3.47Å |
| 561 | N | 90.9 | Very high | 89.9 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 11% | 0.107 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.7 | -39.1 | -179.5 | -173.3 | 53 | 0 | 0 | 0 | 111.6 | M493 L520 F522 L557 S558 S559 Y564 T565 | M493-N561 HydrophobicContact CE-CB 4.34Å; L520-N561 PolarHBondContact O-ND2 3.1Å; L520-N561 VanDerWaalsContact O-ND2 3.13Å; F522-N561 PolarHBondContact N-OD1 2.9Å; L557-N561 WeakPolarHBondContact O-CB 3.39Å; L557-N561 PolarHBondContact O-N 3.1Å; S558-N561 PolarHBondContact O-N 2.71Å; S559-N561 VanDerWaalsContact C-N 3.33Å; N561-Y564 PolarHBondContact O-N 3.45Å; N561-T565 VanDerWaalsContact O-CB 3.26Å; N561-T565 WeakPolarHBondContact O-CB 3.19Å; N561-T565 PolarHBondContact O-N 3.48Å; N561-T565 PolarHBondContact O-OG1 3.11Å |
| 562 | E | 90.4 | Very high | 89.9 | Confident | 119 Ų | 119 | 59.6 Ų | 59.6 | 56% | 0.556 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61.9 | -44.9 | 172.9 | -74.5 | 167.3 | -148.2 | 0 | 0 | 111.3 | S558 T565 R566 | S558-E562 WeakPolarHBondContact O-CG 3.36Å; S558-E562 PolarHBondContact O-N 3.41Å; S558-E562 PolarHBondContact OG-OE1 3.49Å; E562-T565 PolarHBondContact O-N 3.37Å; E562-R566 WeakPolarHBondContact O-CB 3.37Å; E562-R566 PolarHBondContact O-N 3.11Å |
| 563 | E | 91.4 | Very high | 90 | Very high | 108 Ų | 108 | 66.3 Ų | 66.3 | 51% | 0.505 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.3 | -40 | 177.2 | -168.9 | 175.2 | -172.4 | 0 | 0 | 112.4 | L489 S559 L560 S567 | L489-E563 HydrophobicContact CD1-CB 4.42Å; L489-E563 HydrophobicContact CD1-CG 4.1Å; L489-E563 HydrophobicContact CD2-CG 4.41Å; S559-E563 PolarHBondContact O-N 3.42Å; L560-E563 PolarHBondContact O-N 3.47Å; E563-S567 WeakPolarHBondContact O-CB 3.34Å; E563-S567 PolarHBondContact O-N 2.92Å; E563-S567 PolarHBondContact O-OG 3.12Å |
| 564 | Y | 90.8 | Very high | 90 | Very high | 17 Ų | 17 | 67 Ų | 67 | 7% | 0.067 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.5 | -45 | 174.9 | -177.5 | -84.7 | 0 | 0 | 0 | 111.7 | M486 L489 E490 M493 F522 L560 N561 R566 S567 R568 | M486-Y564 HydrophobicContact CB-CD2 4.3Å; M486-Y564 HydrophobicContact CB-CE2 3.78Å; M486-Y564 HydrophobicContact CE-CE1 4.19Å; M486-Y564 HydrophobicContact CE-CE2 3.87Å; M486-Y564 WeakPolarHBondContact CE-OH 3.4Å; M486-Y564 HydrophobicContact CG-CD2 4.3Å; M486-Y564 HydrophobicContact CG-CE2 3.99Å; L489-Y564 HydrophobicContact CB-CD2 4.01Å; L489-Y564 HydrophobicContact CD1-CD2 4.35Å; E490-Y564 HydrophobicContact CG-CD2 4.4Å; E490-Y564 HydrophobicContact CG-CE2 3.73Å; E490-Y564 PolarHBondContact OE1-OH 2.92Å; M493-Y564 HydrophobicContact CE-CD2 4.39Å; M493-Y564 HydrophobicContact CE-CG 4.03Å; F522-Y564 HydrophobicContact CD2-CD1 4.01Å; F522-Y564 HydrophobicContact CD2-CE1 4.2Å; F522-Y564 HydrophobicContact CD2-CG 4.41Å; F522-Y564 AromaticContact CE2-CD1 3.69Å; F522-Y564 HydrophobicContact CE2-CD1 3.69Å; F522-Y564 HydrophobicContact CE2-CD2 4.33Å; F522-Y564 AromaticContact CE2-CE1 3.45Å; F522-Y564 HydrophobicContact CE2-CE1 3.45Å; F522-Y564 VanDerWaalsContact CE2-CE1 3.45Å; F522-Y564 HydrophobicContact CE2-CE2 4.1Å; F522-Y564 HydrophobicContact CE2-CG 4.15Å; F522-Y564 AromaticContact CE2-CZ 3.66Å; F522-Y564 HydrophobicContact CZ-CE1 4.42Å; L560-Y564 VanDerWaalsContact O-CB 3.22Å; L560-Y564 WeakPolarHBondContact O-CB 3.25Å; L560-Y564 PolarHBondContact O-N 3.47Å; N561-Y564 PolarHBondContact O-N 3.45Å; Y564-R566 VanDerWaalsContact C-N 3.32Å; Y564-R566 PolarHBondContact O-N 2.76Å; Y564-S567 PolarHBondContact O-N 3.12Å; Y564-R568 HydrophobicContact CD1-CB 4.48Å; Y564-R568 HydrophobicContact CE1-CB 4.24Å; Y564-R568 WeakPolarHBondContact O-CB 3.32Å; Y564-R568 PolarHBondContact O-N 3.33Å |
| 565 | T | 88.8 | Confident | 90.1 | Very high | 46 Ų | 46 | 67 Ų | 67 | 28% | 0.282 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 179.3 | -55.6 | 0 | 0 | 0 | 0 | 110.1 | N561 E562 R568 E569 | N561-T565 VanDerWaalsContact O-CB 3.26Å; N561-T565 WeakPolarHBondContact O-CB 3.19Å; N561-T565 PolarHBondContact O-N 3.48Å; N561-T565 PolarHBondContact O-OG1 3.11Å; E562-T565 PolarHBondContact O-N 3.37Å; T565-R568 PolarHBondContact O-N 2.95Å; T565-E569 WeakPolarHBondContact O-CB 3.43Å; T565-E569 WeakPolarHBondContact O-CG 3.23Å; T565-E569 PolarHBondContact O-N 3.23Å |
| 566 | R | 90.5 | Very high | 90.1 | Very high | 157 Ų | 157 | 66.1 Ų | 66.1 | 59% | 0.592 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.9 | -49.8 | 173.5 | -173.3 | -175.2 | -61.4 | 165.8 | 2.8 | 112.3 | E562 Y564 R568 E569 E570 | E562-R566 WeakPolarHBondContact O-CB 3.37Å; E562-R566 PolarHBondContact O-N 3.11Å; Y564-R566 VanDerWaalsContact C-N 3.32Å; Y564-R566 PolarHBondContact O-N 2.76Å; R566-R568 PolarHBondContact O-N 3.27Å; R566-E569 PolarHBondContact O-N 3.15Å; R566-E570 WeakPolarHBondContact CG-OE1 3.5Å; R566-E570 WeakPolarHBondContact O-CG 3.33Å; R566-E570 PolarHBondContact O-N 2.89Å |
| 567 | S | 89.9 | Confident | 90.3 | Very high | 12 Ų | 12 | 63 Ų | 63 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.2 | -34.9 | 179.7 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | E563 Y564 Y571 | E563-S567 WeakPolarHBondContact O-CB 3.34Å; E563-S567 PolarHBondContact O-N 2.92Å; E563-S567 PolarHBondContact O-OG 3.12Å; Y564-S567 PolarHBondContact O-N 3.12Å; S567-Y571 VanDerWaalsContact O-CB 3.29Å; S567-Y571 WeakPolarHBondContact O-CB 3.44Å; S567-Y571 PolarHBondContact O-N 2.78Å |
| 568 | R | 88.7 | Confident | 90.3 | Very high | 112 Ų | 112 | 63.9 Ų | 63.9 | 42% | 0.423 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.8 | -44.8 | 175.9 | 179.8 | -177.6 | 171.8 | 166.5 | 5.2 | 112 | M486 Y564 T565 R566 E570 Y571 E572 | M486-R568 HydrophobicContact CE-CB 4Å; M486-R568 HydrophobicContact CE-CG 4.17Å; M486-R568 HydrophobicContact SD-CB 4.39Å; Y564-R568 HydrophobicContact CD1-CB 4.48Å; Y564-R568 HydrophobicContact CE1-CB 4.24Å; Y564-R568 WeakPolarHBondContact O-CB 3.32Å; Y564-R568 PolarHBondContact O-N 3.33Å; T565-R568 PolarHBondContact O-N 2.95Å; R566-R568 PolarHBondContact O-N 3.27Å; R568-E570 VanDerWaalsContact C-N 3.35Å; R568-Y571 PolarHBondContact O-N 3.46Å; R568-E572 HydrophobicContact CG-CG 4.47Å; R568-E572 IonicContact CZ-OE1 3.76Å; R568-E572 IonicContact NE-OE1 3.05Å; R568-E572 PolarHBondContact NE-OE1 2.96Å; R568-E572 IonicContact NH2-OE1 3.39Å; R568-E572 PolarHBondContact NH2-OE1 3.49Å; R568-E572 WeakPolarHBondContact O-CB 3.41Å; R568-E572 WeakPolarHBondContact O-CG 3.26Å; R568-E572 PolarHBondContact O-N 2.85Å |
| 569 | E | 89.6 | Confident | 90.5 | Very high | 110 Ų | 110 | 63 Ų | 63 | 51% | 0.514 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 175.1 | -75 | 171.7 | 178.4 | 0 | 0 | 110.4 | T565 R566 Y571 E572 E573 | T565-E569 WeakPolarHBondContact O-CB 3.43Å; T565-E569 WeakPolarHBondContact O-CG 3.23Å; T565-E569 PolarHBondContact O-N 3.23Å; R566-E569 PolarHBondContact O-N 3.15Å; E569-Y571 VanDerWaalsContact C-N 3.35Å; E569-Y571 PolarHBondContact O-N 2.87Å; E569-E572 PolarHBondContact O-N 3.49Å; E569-E573 WeakPolarHBondContact O-CB 3.25Å; E569-E573 WeakPolarHBondContact O-CG 3.36Å; E569-E573 PolarHBondContact O-N 3.46Å |
| 570 | E | 91.4 | Very high | 90.5 | Very high | 96 Ų | 96 | 67.9 Ų | 67.9 | 45% | 0.449 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 174.7 | -71.7 | 174 | -166.2 | 0 | 0 | 112.1 | L482 R566 R568 A574 | L482-E570 HydrophobicContact CD1-CB 4.32Å; L482-E570 HydrophobicContact CD2-CB 4.43Å; R566-E570 WeakPolarHBondContact CG-OE1 3.5Å; R566-E570 WeakPolarHBondContact O-CG 3.33Å; R566-E570 PolarHBondContact O-N 2.89Å; R568-E570 VanDerWaalsContact C-N 3.35Å; E570-A574 VanDerWaalsContact O-CB 3.32Å; E570-A574 WeakPolarHBondContact O-CB 3.39Å; E570-A574 PolarHBondContact O-N 3.19Å |
| 571 | Y | 90.2 | Very high | 90.5 | Very high | 21 Ų | 21 | 73.7 Ų | 73.7 | 8% | 0.082 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64 | -45.7 | 175.2 | -176.8 | -84.5 | 0 | 0 | 0 | 111.8 | L479 L482 R483 M486 S567 R568 E569 A574 Q575 | L479-Y571 HydrophobicContact CB-CE2 3.98Å; L479-Y571 HydrophobicContact CD2-CD2 3.86Å; L479-Y571 HydrophobicContact CD2-CE2 3.81Å; L479-Y571 HydrophobicContact CD2-CG 4.35Å; L479-Y571 HydrophobicContact CG-CE2 4.41Å; L479-Y571 WeakPolarHBondContact O-CE2 3.39Å; L482-Y571 HydrophobicContact CB-CD2 3.86Å; R483-Y571 HydrophobicContact CB-CE2 4.24Å; M486-Y571 HydrophobicContact SD-CG 4.34Å; S567-Y571 VanDerWaalsContact O-CB 3.29Å; S567-Y571 WeakPolarHBondContact O-CB 3.44Å; S567-Y571 PolarHBondContact O-N 2.78Å; R568-Y571 PolarHBondContact O-N 3.46Å; E569-Y571 VanDerWaalsContact C-N 3.35Å; E569-Y571 PolarHBondContact O-N 2.87Å; Y571-A574 PolarHBondContact O-N 3.39Å; Y571-Q575 WeakPolarHBondContact O-CB 3.18Å; Y571-Q575 PolarHBondContact O-N 3.04Å |
| 572 | E | 89.3 | Confident | 90.6 | Very high | 77 Ų | 77 | 73.1 Ų | 73.1 | 36% | 0.36 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 178.6 | -75.2 | 178.8 | -168.9 | 0 | 0 | 111.1 | R568 E569 N576 | R568-E572 HydrophobicContact CG-CG 4.47Å; R568-E572 IonicContact CZ-OE1 3.76Å; R568-E572 IonicContact NE-OE1 3.05Å; R568-E572 PolarHBondContact NE-OE1 2.96Å; R568-E572 IonicContact NH2-OE1 3.39Å; R568-E572 PolarHBondContact NH2-OE1 3.49Å; R568-E572 WeakPolarHBondContact O-CB 3.41Å; R568-E572 WeakPolarHBondContact O-CG 3.26Å; R568-E572 PolarHBondContact O-N 2.85Å; E569-E572 PolarHBondContact O-N 3.49Å; E572-N576 VanDerWaalsContact O-CB 3.28Å; E572-N576 WeakPolarHBondContact O-CB 3.28Å; E572-N576 PolarHBondContact O-N 3.1Å; E572-N576 PolarHBondContact O-ND2 3.26Å |
| 573 | E | 90.8 | Very high | 90.6 | Very high | 140 Ų | 140 | 68.2 Ų | 68.2 | 65% | 0.654 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.4 | -48 | 175.1 | -74.6 | -175.4 | 178.2 | 0 | 0 | 112.7 | E569 N576 A577 | E569-E573 WeakPolarHBondContact O-CB 3.25Å; E569-E573 WeakPolarHBondContact O-CG 3.36Å; E569-E573 PolarHBondContact O-N 3.46Å; E573-N576 PolarHBondContact O-N 3.24Å; E573-A577 PolarHBondContact O-N 3.42Å; E573-A577 VanDerWaalsContact O-N 3.08Å |
| 574 | A | 90.5 | Very high | 90.6 | Very high | 28 Ų | 28 | 67.8 Ų | 67.8 | 23% | 0.231 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L479 E570 Y571 N576 A577 I578 | L479-A574 HydrophobicContact CD2-CB 3.86Å; E570-A574 VanDerWaalsContact O-CB 3.32Å; E570-A574 WeakPolarHBondContact O-CB 3.39Å; E570-A574 PolarHBondContact O-N 3.19Å; Y571-A574 PolarHBondContact O-N 3.39Å; A574-N576 VanDerWaalsContact C-N 3.35Å; A574-N576 PolarHBondContact O-N 3.48Å; A574-A577 WeakPolarHBondContact O-CB 3.39Å; A574-A577 PolarHBondContact O-N 2.82Å; A574-I578 PolarHBondContact O-N 3.16Å |
| 575 | Q | 91.5 | Very high | 90.7 | Very high | 18 Ų | 18 | 71.4 Ų | 71.4 | 8% | 0.084 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 174.9 | 179 | 176.4 | -124.1 | 0 | 0 | 111.1 | V471 L479 Y571 A577 I578 V579 | V471-Q575 HydrophobicContact CB-CG 4.12Å; V471-Q575 HydrophobicContact CG2-CG 3.84Å; L479-Q575 HydrophobicContact CD2-CB 4.26Å; Y571-Q575 WeakPolarHBondContact O-CB 3.18Å; Y571-Q575 PolarHBondContact O-N 3.04Å; Q575-A577 VanDerWaalsContact C-N 3.25Å; Q575-A577 PolarHBondContact O-N 3.03Å; Q575-I578 PolarHBondContact O-N 3.29Å; Q575-V579 HydrophobicContact CG-CG2 4.26Å; Q575-V579 VanDerWaalsContact O-CG2 3.31Å; Q575-V579 WeakPolarHBondContact O-CG2 3.4Å; Q575-V579 PolarHBondContact O-N 3.34Å |
| 576 | N | 89.3 | Confident | 90.9 | Very high | 86 Ų | 86 | 69.4 Ų | 69.4 | 46% | 0.46 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.3 | -31.6 | 178.6 | -76.7 | -33.6 | 0 | 0 | 0 | 112.8 | E572 E573 A574 K580 | E572-N576 VanDerWaalsContact O-CB 3.28Å; E572-N576 WeakPolarHBondContact O-CB 3.28Å; E572-N576 PolarHBondContact O-N 3.1Å; E572-N576 PolarHBondContact O-ND2 3.26Å; E573-N576 PolarHBondContact O-N 3.24Å; A574-N576 VanDerWaalsContact C-N 3.35Å; A574-N576 PolarHBondContact O-N 3.48Å; N576-K580 VanDerWaalsContact O-CG 3.31Å; N576-K580 WeakPolarHBondContact O-CG 3.42Å; N576-K580 PolarHBondContact O-N 3.11Å; N576-K580 VanDerWaalsContact O-N 3.1Å |
| 577 | A | 91.1 | Very high | 90.8 | Very high | 54 Ų | 54 | 63.1 Ų | 63.1 | 45% | 0.446 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65 | -48.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E573 A574 Q575 V579 K580 E581 | E573-A577 PolarHBondContact O-N 3.42Å; E573-A577 VanDerWaalsContact O-N 3.08Å; A574-A577 WeakPolarHBondContact O-CB 3.39Å; A574-A577 PolarHBondContact O-N 2.82Å; Q575-A577 VanDerWaalsContact C-N 3.25Å; Q575-A577 PolarHBondContact O-N 3.03Å; A577-V579 PolarHBondContact O-N 2.85Å; A577-K580 WeakPolarHBondContact O-CB 3.2Å; A577-K580 PolarHBondContact O-N 2.76Å; A577-E581 PolarHBondContact O-N 3.35Å; A577-E581 VanDerWaalsContact O-N 3.15Å |
| 578 | I | 91.1 | Very high | 90.8 | Very high | 20 Ų | 20 | 65.4 Ų | 65.4 | 10% | 0.103 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 177.9 | -62.4 | 161.6 | 0 | 0 | 0 | 110.8 | V471 F475 D476 L479 A574 Q575 K580 E581 I582 | V471-I578 HydrophobicContact CG1-CG2 4.3Å; V471-I578 HydrophobicContact CG2-CG2 4.47Å; F475-I578 HydrophobicContact CD1-CG2 4.38Å; F475-I578 HydrophobicContact CE1-CG2 4.07Å; D476-I578 HydrophobicContact CB-CD1 3.88Å; L479-I578 HydrophobicContact CD1-CD1 3.6Å; L479-I578 HydrophobicContact CG-CD1 4.05Å; A574-I578 PolarHBondContact O-N 3.16Å; Q575-I578 PolarHBondContact O-N 3.29Å; I578-K580 VanDerWaalsContact C-N 3.29Å; I578-K580 PolarHBondContact O-N 3.39Å; I578-E581 WeakPolarHBondContact O-CB 3.5Å; I578-E581 PolarHBondContact O-N 3.02Å; I578-E581 VanDerWaalsContact O-N 3.11Å; I578-I582 HydrophobicContact CG2-CD1 3.96Å; I578-I582 HydrophobicContact CG2-CG1 4.36Å; I578-I582 WeakPolarHBondContact O-CG1 3.44Å; I578-I582 PolarHBondContact O-N 3.21Å |
| 579 | V | 92.2 | Very high | 90.9 | Very high | 22 Ų | 22 | 62.3 Ų | 62.3 | 13% | 0.133 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.3 | -41 | 176.9 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | L402 V471 Q575 A577 E581 I582 I583 | L402-V579 HydrophobicContact CD2-CG2 4.45Å; V471-V579 HydrophobicContact CG2-CG2 3.67Å; Q575-V579 HydrophobicContact CG-CG2 4.26Å; Q575-V579 VanDerWaalsContact O-CG2 3.31Å; Q575-V579 WeakPolarHBondContact O-CG2 3.4Å; Q575-V579 PolarHBondContact O-N 3.34Å; A577-V579 PolarHBondContact O-N 2.85Å; V579-E581 VanDerWaalsContact C-N 3.34Å; V579-E581 PolarHBondContact O-N 3.31Å; V579-I582 PolarHBondContact O-N 2.99Å; V579-I583 HydrophobicContact CG1-CD1 3.72Å; V579-I583 HydrophobicContact CG1-CG1 4.46Å; V579-I583 WeakPolarHBondContact O-CD1 3.38Å; V579-I583 VanDerWaalsContact O-CG1 3.27Å; V579-I583 WeakPolarHBondContact O-CG1 3.45Å; V579-I583 PolarHBondContact O-N 3.34Å |
| 580 | K | 90.8 | Very high | 90.9 | Very high | 152 Ų | 152 | 57.4 Ų | 57.4 | 66% | 0.661 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.9 | -40.3 | 175.2 | -75.5 | 173 | -175.8 | 176.6 | 0 | 112.2 | N576 A577 I578 I583 N584 | N576-K580 VanDerWaalsContact O-CG 3.31Å; N576-K580 WeakPolarHBondContact O-CG 3.42Å; N576-K580 PolarHBondContact O-N 3.11Å; N576-K580 VanDerWaalsContact O-N 3.1Å; A577-K580 WeakPolarHBondContact O-CB 3.2Å; A577-K580 PolarHBondContact O-N 2.76Å; I578-K580 VanDerWaalsContact C-N 3.29Å; I578-K580 PolarHBondContact O-N 3.39Å; K580-I583 PolarHBondContact O-N 2.88Å; K580-N584 WeakPolarHBondContact O-CB 3.28Å; K580-N584 PolarHBondContact O-N 2.92Å |
| 581 | E | 91.6 | Very high | 90.7 | Very high | 133 Ų | 133 | 58 Ų | 58 | 62% | 0.621 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64.3 | -44.7 | 175.1 | -71.2 | -175.3 | 163.6 | 0 | 0 | 111.7 | A577 I578 V579 I583 N584 I585 | A577-E581 PolarHBondContact O-N 3.35Å; A577-E581 VanDerWaalsContact O-N 3.15Å; I578-E581 WeakPolarHBondContact O-CB 3.5Å; I578-E581 PolarHBondContact O-N 3.02Å; I578-E581 VanDerWaalsContact O-N 3.11Å; V579-E581 VanDerWaalsContact C-N 3.34Å; V579-E581 PolarHBondContact O-N 3.31Å; E581-I583 VanDerWaalsContact C-N 3.31Å; E581-I583 PolarHBondContact O-N 2.9Å; E581-N584 PolarHBondContact O-N 3.25Å; E581-N584 VanDerWaalsContact O-N 3.11Å; E581-I585 WeakPolarHBondContact O-CG1 3.42Å; E581-I585 PolarHBondContact O-N 3.22Å |
| 582 | I | 92 | Very high | 90.8 | Very high | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.2 | -46 | 175.1 | -67.5 | 169.2 | 0 | 0 | 0 | 110.5 | L402 M454 I455 T458 I578 V579 N584 I585 A586 | L402-I582 HydrophobicContact CD1-CD1 4.45Å; L402-I582 HydrophobicContact CD1-CG2 4.41Å; M454-I582 HydrophobicContact CE-CG2 4.12Å; I455-I582 HydrophobicContact CD1-CG2 4.18Å; T458-I582 HydrophobicContact CG2-CD1 4.08Å; I578-I582 HydrophobicContact CG2-CD1 3.96Å; I578-I582 HydrophobicContact CG2-CG1 4.36Å; I578-I582 WeakPolarHBondContact O-CG1 3.44Å; I578-I582 PolarHBondContact O-N 3.21Å; V579-I582 PolarHBondContact O-N 2.99Å; I582-N584 VanDerWaalsContact C-N 3.31Å; I582-N584 PolarHBondContact O-N 3.01Å; I582-I585 PolarHBondContact O-N 3.01Å; I582-A586 VanDerWaalsContact O-CB 3.29Å; I582-A586 WeakPolarHBondContact O-CB 3.41Å; I582-A586 PolarHBondContact O-N 3.43Å |
| 583 | I | 92 | Very high | 90.9 | Very high | 16 Ų | 16 | 54.6 Ų | 54.6 | 8% | 0.082 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 178.2 | -67.8 | 159.4 | 0 | 0 | 0 | 111.2 | A400 V579 K580 E581 A586 S587 | A400-I583 HydrophobicContact CB-CG2 4.3Å; A400-I583 WeakPolarHBondContact O-CD1 3.4Å; V579-I583 HydrophobicContact CG1-CD1 3.72Å; V579-I583 HydrophobicContact CG1-CG1 4.46Å; V579-I583 WeakPolarHBondContact O-CD1 3.38Å; V579-I583 VanDerWaalsContact O-CG1 3.27Å; V579-I583 WeakPolarHBondContact O-CG1 3.45Å; V579-I583 PolarHBondContact O-N 3.34Å; K580-I583 PolarHBondContact O-N 2.88Å; E581-I583 VanDerWaalsContact C-N 3.31Å; E581-I583 PolarHBondContact O-N 2.9Å; I583-A586 PolarHBondContact O-N 3.46Å; I583-S587 PolarHBondContact O-N 3.19Å |
| 584 | N | 91.1 | Very high | 90.8 | Very high | 100 Ų | 100 | 49.8 Ų | 49.8 | 54% | 0.535 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.2 | -31.7 | 177.7 | -170.7 | 54.5 | 0 | 0 | 0 | 113.1 | K580 E581 I582 S587 | K580-N584 WeakPolarHBondContact O-CB 3.28Å; K580-N584 PolarHBondContact O-N 2.92Å; E581-N584 PolarHBondContact O-N 3.25Å; E581-N584 VanDerWaalsContact O-N 3.11Å; I582-N584 VanDerWaalsContact C-N 3.31Å; I582-N584 PolarHBondContact O-N 3.01Å; N584-S587 PolarHBondContact O-OG 2.84Å |
| 585 | I | 92.4 | Very high | 90.9 | Very high | 93 Ų | 93 | 51.9 Ų | 51.9 | 48% | 0.477 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -72.1 | -42.9 | 171 | -63.8 | 165.4 | 0 | 0 | 0 | 109.6 | M454 E581 I582 S587 G588 Y589 | M454-I585 HydrophobicContact CE-CG2 4.48Å; M454-I585 HydrophobicContact SD-CB 3.95Å; M454-I585 HydrophobicContact SD-CD1 4.3Å; M454-I585 HydrophobicContact SD-CG2 3.56Å; M454-I585 VanDerWaalsContact SD-CG2 3.56Å; E581-I585 WeakPolarHBondContact O-CG1 3.42Å; E581-I585 PolarHBondContact O-N 3.22Å; I582-I585 PolarHBondContact O-N 3.01Å; I585-S587 VanDerWaalsContact C-N 3.28Å; I585-S587 PolarHBondContact O-N 3.22Å; I585-G588 PolarHBondContact O-N 3.46Å; I585-G588 VanDerWaalsContact O-N 3.11Å; I585-Y589 HydrophobicContact CG2-CE2 4.41Å; I585-Y589 WeakPolarHBondContact O-CD2 3.44Å |
| 586 | A | 92 | Very high | 91 | Very high | 3 Ų | 3 | 51 Ų | 51 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.4 | -33.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | F395 Y451 I582 I583 G588 Y589 | F395-A586 HydrophobicContact CD1-CB 3.76Å; F395-A586 HydrophobicContact CE1-CB 3.61Å; Y451-A586 HydrophobicContact CE2-CB 3.77Å; I582-A586 VanDerWaalsContact O-CB 3.29Å; I582-A586 WeakPolarHBondContact O-CB 3.41Å; I582-A586 PolarHBondContact O-N 3.43Å; I583-A586 PolarHBondContact O-N 3.46Å; A586-G588 PolarHBondContact O-N 2.96Å; A586-Y589 PolarHBondContact O-N 3.37Å |
| 587 | S | 88.9 | Confident | 91.2 | Very high | 25 Ų | 25 | 47 Ų | 47 | 18% | 0.175 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -65 | -21 | 176.6 | 65.6 | 0 | 0 | 0 | 0 | 113.3 | I583 N584 I585 Y589 V590 | I583-S587 PolarHBondContact O-N 3.19Å; N584-S587 PolarHBondContact O-OG 2.84Å; I585-S587 VanDerWaalsContact C-N 3.28Å; I585-S587 PolarHBondContact O-N 3.22Å; S587-Y589 PolarHBondContact O-N 3.28Å; S587-V590 WeakPolarHBondContact O-CG2 3.44Å; S587-V590 PolarHBondContact O-N 2.85Å |
| 588 | G | 89.4 | Confident | 91.3 | Very high | 61 Ų | 61 | 49.4 Ų | 49.4 | 63% | 0.629 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -65.9 | -18 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | I585 A586 | I585-G588 PolarHBondContact O-N 3.46Å; I585-G588 VanDerWaalsContact O-N 3.11Å; A586-G588 PolarHBondContact O-N 2.96Å |
| 589 | Y | 91.8 | Very high | 91.5 | Very high | 46 Ų | 46 | 49.1 Ų | 49.1 | 18% | 0.18 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -96.7 | 12.8 | -179.8 | -66.1 | -90 | 0 | 0 | 0 | 113.6 | D447 F448 K450 Y451 I585 A586 S587 D591 P592 L593 | D447-Y589 WeakPolarHBondContact O-CE1 3.39Å; F448-Y589 HydrophobicContact CD1-CD1 4.04Å; F448-Y589 HydrophobicContact CE1-CD1 4.14Å; F448-Y589 HydrophobicContact CE1-CG 4.37Å; K450-Y589 WeakPolarHBondContact CB-OH 3.36Å; Y451-Y589 AromaticContact CD2-CD2 3.78Å; Y451-Y589 HydrophobicContact CD2-CD2 3.78Å; Y451-Y589 HydrophobicContact CD2-CE2 4.06Å; Y451-Y589 HydrophobicContact CD2-CG 4.15Å; I585-Y589 HydrophobicContact CG2-CE2 4.41Å; I585-Y589 WeakPolarHBondContact O-CD2 3.44Å; A586-Y589 PolarHBondContact O-N 3.37Å; S587-Y589 PolarHBondContact O-N 3.28Å; Y589-D591 PolarHBondContact O-N 2.91Å; Y589-P592 WeakPolarHBondContact O-CD 3.44Å; Y589-L593 VanDerWaalsContact O-CB 3.22Å; Y589-L593 WeakPolarHBondContact O-CB 3.33Å; Y589-L593 PolarHBondContact O-N 3.47Å |
| 590 | V | 88.7 | Confident | 91.7 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 179.5 | 165.7 | 0 | 0 | 0 | 0 | 112.2 | A392 F395 H396 S587 L593 Q594 | A392-V590 HydrophobicContact CB-CG1 4.32Å; F395-V590 HydrophobicContact CB-CG2 3.84Å; H396-V590 HydrophobicContact CB-CG2 4.45Å; S587-V590 WeakPolarHBondContact O-CG2 3.44Å; S587-V590 PolarHBondContact O-N 2.85Å; V590-L593 WeakPolarHBondContact O-CB 3.31Å; V590-L593 PolarHBondContact O-N 3.49Å; V590-Q594 HydrophobicContact CG1-CG 4.46Å; V590-Q594 WeakPolarHBondContact O-CG 3.49Å; V590-Q594 PolarHBondContact O-N 3.49Å |
| 591 | D | 87.2 | Confident | 91.9 | Very high | 107 Ų | 107 | 41.1 Ų | 41.1 | 57% | 0.572 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -67.4 | -48.6 | -178.6 | -70.4 | -16 | 0 | 0 | 0 | 112.7 | Y589 L593 Q594 T595 | Y589-D591 PolarHBondContact O-N 2.91Å; D591-L593 PolarHBondContact O-N 3.03Å; D591-Q594 PolarHBondContact O-N 3.14Å; D591-T595 PolarHBondContact O-N 2.92Å; D591-T595 PolarHBondContact O-OG1 2.75Å |
| 592 | P | 92.5 | Very high | 92.2 | Very high | 23 Ų | 23 | 37.6 Ų | 37.6 | 15% | 0.149 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.7 | -39 | 169 | -27.7 | 34 | 0 | 0 | 0 | 113 | L444 D447 F448 Y589 T595 L596 | L444-P592 HydrophobicContact CD2-CB 4.09Å; L444-P592 WeakPolarHBondContact CD2-O 3.49Å; D447-P592 HydrophobicContact CB-CB 4.5Å; F448-P592 HydrophobicContact CE1-CB 4.36Å; F448-P592 HydrophobicContact CE2-CB 3.84Å; F448-P592 HydrophobicContact CZ-CB 3.66Å; Y589-P592 WeakPolarHBondContact O-CD 3.44Å; P592-T595 PolarHBondContact O-N 2.69Å; P592-L596 WeakPolarHBondContact O-CB 3.2Å; P592-L596 PolarHBondContact O-N 2.96Å |
| 593 | L | 92.2 | Very high | 92.4 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.5 | -38.3 | -179.1 | -174.1 | 62.6 | 0 | 0 | 0 | 112.6 | L388 L391 A392 F395 V408 F448 Y589 V590 D591 S597 | L388-L593 HydrophobicContact CB-CD1 4.02Å; L388-L593 HydrophobicContact CB-CG 4.41Å; L388-L593 HydrophobicContact CD2-CD1 3.7Å; L388-L593 HydrophobicContact CG-CD1 4.29Å; L391-L593 HydrophobicContact CB-CD2 4.39Å; A392-L593 HydrophobicContact CB-CB 4.49Å; A392-L593 HydrophobicContact CB-CD2 3.75Å; A392-L593 HydrophobicContact CB-CG 4.11Å; F395-L593 HydrophobicContact CD2-CD2 4.29Å; V408-L593 HydrophobicContact CG1-CD1 4.17Å; V408-L593 HydrophobicContact CG2-CD1 4.44Å; V408-L593 HydrophobicContact CG2-CD2 4.19Å; F448-L593 HydrophobicContact CZ-CB 4.17Å; F448-L593 HydrophobicContact CZ-CD1 4.43Å; Y589-L593 VanDerWaalsContact O-CB 3.22Å; Y589-L593 WeakPolarHBondContact O-CB 3.33Å; Y589-L593 PolarHBondContact O-N 3.47Å; V590-L593 WeakPolarHBondContact O-CB 3.31Å; V590-L593 PolarHBondContact O-N 3.49Å; D591-L593 PolarHBondContact O-N 3.03Å; L593-S597 PolarHBondContact O-N 2.91Å |
| 594 | Q | 88.4 | Confident | 92.7 | Very high | 40 Ų | 40 | 36.5 Ų | 36.5 | 19% | 0.187 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65 | -44.4 | 172.6 | -75 | 179.3 | -9.2 | 0 | 0 | 111.2 | A392 V590 D591 L596 S597 D598 | A392-Q594 HydrophobicContact CB-CG 4.13Å; V590-Q594 HydrophobicContact CG1-CG 4.46Å; V590-Q594 WeakPolarHBondContact O-CG 3.49Å; V590-Q594 PolarHBondContact O-N 3.49Å; D591-Q594 PolarHBondContact O-N 3.14Å; Q594-L596 VanDerWaalsContact C-N 3.34Å; Q594-L596 PolarHBondContact O-N 3.16Å; Q594-S597 WeakPolarHBondContact O-CA 3.38Å; Q594-S597 VanDerWaalsContact O-CB 3.23Å; Q594-S597 WeakPolarHBondContact O-CB 3.46Å; Q594-S597 PolarHBondContact O-N 2.86Å; Q594-S597 VanDerWaalsContact O-N 3.07Å; Q594-D598 PolarHBondContact O-N 3.41Å |
| 595 | T | 91.9 | Very high | 93 | Very high | 71 Ų | 71 | 31.8 Ų | 31.8 | 44% | 0.436 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 177.2 | -52.7 | 0 | 0 | 0 | 0 | 111.1 | L444 D591 P592 S597 D598 V599 | L444-T595 HydrophobicContact CD1-CG2 4.33Å; L444-T595 HydrophobicContact CD2-CG2 4.28Å; D591-T595 PolarHBondContact O-N 2.92Å; D591-T595 PolarHBondContact O-OG1 2.75Å; P592-T595 PolarHBondContact O-N 2.69Å; T595-S597 VanDerWaalsContact C-N 3.3Å; T595-S597 PolarHBondContact O-N 3.04Å; T595-D598 PolarHBondContact O-N 3.14Å; T595-V599 WeakPolarHBondContact O-CG2 3.27Å; T595-V599 PolarHBondContact O-N 3.04Å |
| 596 | L | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.2 | -40.4 | 173.2 | -177.6 | 63.7 | 0 | 0 | 0 | 111.7 | L388 I415 L441 L444 F448 P592 Q594 D598 V599 I600 | L388-L596 HydrophobicContact CD1-CB 4.25Å; L388-L596 HydrophobicContact CD1-CD2 3.77Å; L388-L596 HydrophobicContact CD1-CG 3.65Å; I415-L596 HydrophobicContact CD1-CD1 3.9Å; I415-L596 HydrophobicContact CD1-CD2 3.96Å; I415-L596 HydrophobicContact CG1-CD1 4.29Å; L441-L596 HydrophobicContact CD2-CD1 3.76Å; L444-L596 HydrophobicContact CD1-CB 3.92Å; L444-L596 HydrophobicContact CD1-CD1 3.94Å; F448-L596 HydrophobicContact CE2-CD2 4.22Å; P592-L596 WeakPolarHBondContact O-CB 3.2Å; P592-L596 PolarHBondContact O-N 2.96Å; Q594-L596 VanDerWaalsContact C-N 3.34Å; Q594-L596 PolarHBondContact O-N 3.16Å; L596-D598 VanDerWaalsContact C-N 3.33Å; L596-D598 PolarHBondContact O-N 3.08Å; L596-V599 PolarHBondContact O-N 2.87Å; L596-I600 HydrophobicContact CD1-CD1 4.44Å; L596-I600 HydrophobicContact CD1-CG1 3.96Å; L596-I600 HydrophobicContact CG-CG1 4.24Å; L596-I600 WeakPolarHBondContact O-CB 3.47Å; L596-I600 WeakPolarHBondContact O-CG1 3.35Å; L596-I600 PolarHBondContact O-N 3.03Å |
| 597 | S | 92.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.2 | -45.2 | 175.6 | -173.6 | 0 | 0 | 0 | 0 | 111.9 | L593 Q594 T595 A601 | L593-S597 PolarHBondContact O-N 2.91Å; Q594-S597 WeakPolarHBondContact O-CA 3.38Å; Q594-S597 VanDerWaalsContact O-CB 3.23Å; Q594-S597 WeakPolarHBondContact O-CB 3.46Å; Q594-S597 PolarHBondContact O-N 2.86Å; Q594-S597 VanDerWaalsContact O-N 3.07Å; T595-S597 VanDerWaalsContact C-N 3.3Å; T595-S597 PolarHBondContact O-N 3.04Å; S597-A601 WeakPolarHBondContact O-CB 2.85Å; S597-A601 PolarHBondContact O-N 3.38Å |
| 598 | D | 92.2 | Very high | 93.8 | Very high | 104 Ų | 104 | 26 Ų | 26 | 56% | 0.556 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -69 | -42.6 | -178.1 | -66.9 | -20.8 | 0 | 0 | 0 | 111.8 | Q594 T595 L596 A601 Q602 | Q594-D598 PolarHBondContact O-N 3.41Å; T595-D598 PolarHBondContact O-N 3.14Å; L596-D598 VanDerWaalsContact C-N 3.33Å; L596-D598 PolarHBondContact O-N 3.08Å; D598-A601 PolarHBondContact O-N 3.33Å; D598-Q602 PolarHBondContact O-N 3.11Å |
| 599 | V | 96.4 | Very high | 94.2 | Very high | 15 Ų | 15 | 23.1 Ų | 23.1 | 9% | 0.091 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.5 | -46.5 | 176.6 | 175.4 | 0 | 0 | 0 | 0 | 111 | F437 P440 L441 T595 L596 A601 Q602 L603 | F437-V599 HydrophobicContact CD1-CG1 4.1Å; P440-V599 HydrophobicContact CB-CG2 4.19Å; L441-V599 HydrophobicContact CD2-CG1 3.92Å; L441-V599 HydrophobicContact CG-CG1 3.98Å; T595-V599 WeakPolarHBondContact O-CG2 3.27Å; T595-V599 PolarHBondContact O-N 3.04Å; L596-V599 PolarHBondContact O-N 2.87Å; V599-A601 VanDerWaalsContact C-N 3.34Å; V599-Q602 PolarHBondContact O-N 3.19Å; V599-L603 WeakPolarHBondContact O-CB 3.32Å; V599-L603 PolarHBondContact O-N 3.11Å |
| 600 | I | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.4 | -38.4 | 176.6 | -66.3 | -65 | 0 | 0 | 0 | 111.1 | T336 L382 F385 L418 L441 L596 L603 D604 | T336-I600 HydrophobicContact CG2-CG2 4.09Å; L382-I600 HydrophobicContact CD2-CG2 4.15Å; F385-I600 HydrophobicContact CB-CG2 4.36Å; F385-I600 HydrophobicContact CD1-CD1 4.21Å; F385-I600 HydrophobicContact CD1-CG1 4.18Å; F385-I600 HydrophobicContact CD2-CD1 4.44Å; F385-I600 HydrophobicContact CE1-CD1 3.93Å; F385-I600 HydrophobicContact CE1-CG1 4.24Å; F385-I600 HydrophobicContact CE2-CD1 4.18Å; F385-I600 HydrophobicContact CG-CD1 4.46Å; F385-I600 HydrophobicContact CG-CG2 4.35Å; F385-I600 HydrophobicContact CZ-CD1 3.91Å; L418-I600 HydrophobicContact CD2-CD1 3.57Å; L441-I600 HydrophobicContact CD2-CD1 4.4Å; L596-I600 HydrophobicContact CD1-CD1 4.44Å; L596-I600 HydrophobicContact CD1-CG1 3.96Å; L596-I600 HydrophobicContact CG-CG1 4.24Å; L596-I600 WeakPolarHBondContact O-CB 3.47Å; L596-I600 WeakPolarHBondContact O-CG1 3.35Å; L596-I600 PolarHBondContact O-N 3.03Å; I600-L603 PolarHBondContact O-N 2.92Å; I600-D604 VanDerWaalsContact O-CB 3.28Å; I600-D604 WeakPolarHBondContact O-CB 3.43Å; I600-D604 PolarHBondContact O-N 3.04Å |
| 601 | A | 95.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 21.5 Ų | 21.5 | 4% | 0.041 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.5 | -45 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q338 L342 S597 D598 V599 D604 A605 | Q338-A601 HydrophobicContact CB-CB 3.93Å; Q338-A601 HydrophobicContact CG-CB 3.89Å; L342-A601 HydrophobicContact CB-CB 4.22Å; L342-A601 VanDerWaalsContact CD2-C 3.47Å; L342-A601 HydrophobicContact CD2-CB 3.84Å; S597-A601 WeakPolarHBondContact O-CB 2.85Å; S597-A601 PolarHBondContact O-N 3.38Å; D598-A601 PolarHBondContact O-N 3.33Å; V599-A601 VanDerWaalsContact C-N 3.34Å; A601-D604 PolarHBondContact O-N 3.06Å; A601-A605 VanDerWaalsContact O-CB 3.29Å; A601-A605 WeakPolarHBondContact O-CB 3.34Å; A601-A605 PolarHBondContact O-N 2.79Å |
| 602 | Q | 96.8 | Very high | 95.2 | Very high | 59 Ų | 59 | 16.7 Ų | 16.7 | 28% | 0.276 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -64 | -42.3 | 177.4 | -176.2 | 176.4 | -4 | 0 | 0 | 111.4 | L342 W346 F437 D598 V599 A605 V606 | L342-Q602 HydrophobicContact CD2-CB 4.25Å; W346-Q602 HydrophobicContact CH2-CG 4.26Å; W346-Q602 HydrophobicContact CZ2-CG 4.33Å; F437-Q602 HydrophobicContact CE1-CB 4.08Å; F437-Q602 HydrophobicContact CE1-CG 3.94Å; F437-Q602 HydrophobicContact CZ-CG 4.02Å; D598-Q602 PolarHBondContact O-N 3.11Å; V599-Q602 PolarHBondContact O-N 3.19Å; Q602-A605 PolarHBondContact O-N 2.76Å; Q602-V606 WeakPolarHBondContact O-CG2 3.44Å; Q602-V606 PolarHBondContact O-N 3.43Å; Q602-V606 VanDerWaalsContact O-N 3.08Å |
| 603 | L | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.7 | -46.6 | 176.9 | -178.3 | 62.2 | 0 | 0 | 0 | 112.3 | F367 L382 L418 L422 F437 V599 I600 A605 V606 A607 | F367-L603 HydrophobicContact CE1-CD1 4.26Å; F367-L603 HydrophobicContact CE2-CD1 4.08Å; F367-L603 HydrophobicContact CZ-CD1 3.42Å; F367-L603 VanDerWaalsContact CZ-CD1 3.42Å; L382-L603 HydrophobicContact CD2-CD2 4.24Å; L382-L603 HydrophobicContact CD2-CG 4.44Å; L418-L603 HydrophobicContact CD1-CD2 3.89Å; L418-L603 HydrophobicContact CD2-CD2 3.75Å; L418-L603 HydrophobicContact CG-CD2 4.11Å; L422-L603 HydrophobicContact CD2-CD1 4.2Å; F437-L603 HydrophobicContact CD1-CB 4.06Å; F437-L603 HydrophobicContact CD1-CD1 4.3Å; F437-L603 HydrophobicContact CD2-CD1 4.05Å; F437-L603 HydrophobicContact CE1-CB 3.71Å; F437-L603 HydrophobicContact CE1-CD1 4.23Å; F437-L603 HydrophobicContact CE2-CD1 3.95Å; F437-L603 HydrophobicContact CG-CD1 4.22Å; F437-L603 HydrophobicContact CZ-CB 4.13Å; F437-L603 HydrophobicContact CZ-CD1 4.05Å; V599-L603 WeakPolarHBondContact O-CB 3.32Å; V599-L603 PolarHBondContact O-N 3.11Å; I600-L603 PolarHBondContact O-N 2.92Å; L603-A605 VanDerWaalsContact C-N 3.34Å; L603-A605 PolarHBondContact O-N 3.48Å; L603-V606 VanDerWaalsContact O-CG2 3.23Å; L603-V606 WeakPolarHBondContact O-CG2 3.43Å; L603-V606 PolarHBondContact O-N 3.36Å; L603-A607 WeakPolarHBondContact O-CB 3.43Å; L603-A607 PolarHBondContact O-N 3.28Å |
| 604 | D | 97.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65 | -38.1 | 178 | -168.6 | 21.8 | 0 | 0 | 0 | 111.4 | C334 R335 T336 L382 I600 A601 S608 | C334-D604 VanDerWaalsContact CA-OD1 3.32Å; C334-D604 WeakPolarHBondContact CA-OD1 3.16Å; C334-D604 VanDerWaalsContact CB-OD2 3.31Å; C334-D604 WeakPolarHBondContact CB-OD2 3.48Å; R335-D604 PolarHBondContact N-OD1 3.11Å; R335-D604 PolarHBondContact N-OD2 3.35Å; T336-D604 WeakPolarHBondContact CA-OD2 3.39Å; T336-D604 WeakPolarHBondContact CB-OD2 3.32Å; T336-D604 PolarHBondContact N-OD2 2.91Å; T336-D604 PolarHBondContact OG1-OD2 3.25Å; L382-D604 HydrophobicContact CD1-CB 4.12Å; L382-D604 HydrophobicContact CD2-CB 4.24Å; I600-D604 VanDerWaalsContact O-CB 3.28Å; I600-D604 WeakPolarHBondContact O-CB 3.43Å; I600-D604 PolarHBondContact O-N 3.04Å; A601-D604 PolarHBondContact O-N 3.06Å; D604-S608 WeakPolarHBondContact O-CB 3.23Å; D604-S608 PolarHBondContact O-N 3.35Å |
| 605 | A | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.4 | -46.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L342 V343 W346 A601 Q602 L603 S608 F609 | L342-A605 HydrophobicContact CD2-CB 4.18Å; V343-A605 HydrophobicContact CG2-CB 3.6Å; W346-A605 HydrophobicContact CE3-CB 4.12Å; W346-A605 HydrophobicContact CH2-CB 3.74Å; W346-A605 HydrophobicContact CZ2-CB 4.47Å; W346-A605 HydrophobicContact CZ3-CB 3.53Å; A601-A605 VanDerWaalsContact O-CB 3.29Å; A601-A605 WeakPolarHBondContact O-CB 3.34Å; A601-A605 PolarHBondContact O-N 2.79Å; Q602-A605 PolarHBondContact O-N 2.76Å; L603-A605 VanDerWaalsContact C-N 3.34Å; L603-A605 PolarHBondContact O-N 3.48Å; A605-S608 WeakPolarHBondContact O-CB 3.27Å; A605-S608 PolarHBondContact O-N 2.96Å; A605-F609 PolarHBondContact O-N 3.14Å |
| 606 | V | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69.2 | -37.9 | 177.9 | -61 | 0 | 0 | 0 | 0 | 111.9 | W346 L363 V364 F367 F437 Q602 L603 S608 F609 A610 | W346-V606 HydrophobicContact CH2-CG1 4.18Å; W346-V606 HydrophobicContact CZ3-CG1 4.37Å; L363-V606 HydrophobicContact CB-CB 4.31Å; L363-V606 HydrophobicContact CB-CG1 3.96Å; L363-V606 HydrophobicContact CD1-CG1 4.26Å; V364-V606 HydrophobicContact CG2-CB 4.21Å; V364-V606 HydrophobicContact CG2-CG1 4.43Å; F367-V606 HydrophobicContact CD2-CG2 3.93Å; F367-V606 HydrophobicContact CE2-CG2 3.61Å; F367-V606 HydrophobicContact CZ-CG2 4.47Å; F437-V606 HydrophobicContact CE2-CG2 4.26Å; F437-V606 HydrophobicContact CZ-CG2 4.03Å; Q602-V606 WeakPolarHBondContact O-CG2 3.44Å; Q602-V606 PolarHBondContact O-N 3.43Å; Q602-V606 VanDerWaalsContact O-N 3.08Å; L603-V606 VanDerWaalsContact O-CG2 3.23Å; L603-V606 WeakPolarHBondContact O-CG2 3.43Å; L603-V606 PolarHBondContact O-N 3.36Å; V606-S608 VanDerWaalsContact C-N 3.31Å; V606-S608 PolarHBondContact O-N 3.24Å; V606-F609 PolarHBondContact O-N 3.21Å; V606-A610 PolarHBondContact O-N 3.43Å |
| 607 | A | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.8 | -40.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L382 L603 A610 V611 | L382-A607 HydrophobicContact CD1-CB 4.3Å; L603-A607 WeakPolarHBondContact O-CB 3.43Å; L603-A607 PolarHBondContact O-N 3.28Å; A607-A610 PolarHBondContact O-N 3.49Å; A607-V611 WeakPolarHBondContact O-CG2 3.31Å; A607-V611 PolarHBondContact O-N 2.96Å |
| 608 | S | 96.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60 | -45 | 175.6 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | L331 K333 C334 D604 A605 V606 V611 A612 | L331-S608 PolarHBondContact O-OG 3.04Å; K333-S608 WeakPolarHBondContact CA-OG 3.37Å; K333-S608 PolarHBondContact N-OG 3.32Å; C334-S608 PolarHBondContact N-OG 3Å; C334-S608 VanDerWaalsContact SG-CB 3.52Å; D604-S608 WeakPolarHBondContact O-CB 3.23Å; D604-S608 PolarHBondContact O-N 3.35Å; A605-S608 WeakPolarHBondContact O-CB 3.27Å; A605-S608 PolarHBondContact O-N 2.96Å; V606-S608 VanDerWaalsContact C-N 3.31Å; V606-S608 PolarHBondContact O-N 3.24Å; S608-V611 PolarHBondContact O-N 3.23Å; S608-A612 WeakPolarHBondContact O-CB 3.46Å; S608-A612 PolarHBondContact O-N 2.91Å |
| 609 | F | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.1 | -43 | 175.2 | -71.8 | -10.2 | 0 | 0 | 0 | 112.5 | L331 V343 W346 V364 A605 V606 V611 A612 S613 I692 C694 | L331-F609 HydrophobicContact CB-CD1 4.27Å; L331-F609 HydrophobicContact CB-CE1 4.04Å; L331-F609 HydrophobicContact CD1-CE1 4.35Å; V343-F609 HydrophobicContact CG1-CE1 3.91Å; V343-F609 HydrophobicContact CG1-CZ 4.44Å; V343-F609 HydrophobicContact CG2-CE1 4.26Å; W346-F609 AromaticContact CE3-CE2 3.56Å; W346-F609 HydrophobicContact CE3-CE2 3.56Å; W346-F609 AromaticContact CE3-CZ 3.79Å; W346-F609 HydrophobicContact CE3-CZ 3.79Å; W346-F609 HydrophobicContact CZ3-CD2 4.4Å; W346-F609 AromaticContact CZ3-CE2 3.79Å; W346-F609 HydrophobicContact CZ3-CE2 3.79Å; W346-F609 HydrophobicContact CZ3-CZ 4.36Å; V364-F609 HydrophobicContact CG1-CB 4.25Å; V364-F609 HydrophobicContact CG2-CB 3.85Å; V364-F609 HydrophobicContact CG2-CD2 4.08Å; A605-F609 PolarHBondContact O-N 3.14Å; V606-F609 PolarHBondContact O-N 3.21Å; F609-V611 VanDerWaalsContact C-N 3.3Å; F609-V611 PolarHBondContact O-N 3.13Å; F609-A612 PolarHBondContact O-N 2.9Å; F609-S613 VanDerWaalsContact O-CB 3.29Å; F609-S613 WeakPolarHBondContact O-CB 3.36Å; F609-S613 PolarHBondContact O-N 3.11Å; F609-S613 PolarHBondContact O-OG 3.08Å; F609-I692 HydrophobicContact CE1-CG2 4.44Å; F609-I692 HydrophobicContact CE2-CG2 3.49Å; F609-I692 VanDerWaalsContact CE2-CG2 3.49Å; F609-I692 HydrophobicContact CZ-CG2 3.36Å; F609-C694 HydrophobicContact CB-CB 4.45Å; F609-C694 HydrophobicContact CD1-CB 4.4Å; F609-C694 HydrophobicContact CD2-CB 3.82Å; F609-C694 HydrophobicContact CE2-CB 4.1Å; F609-C694 HydrophobicContact CG-CB 3.99Å |
| 610 | A | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.8 | -41.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V364 F367 V368 V606 A607 S613 V614 | V364-A610 HydrophobicContact CG1-CB 4.29Å; F367-A610 HydrophobicContact CB-CB 3.44Å; F367-A610 VanDerWaalsContact CB-CB 3.44Å; V368-A610 HydrophobicContact CG2-CB 3.74Å; V606-A610 PolarHBondContact O-N 3.43Å; A607-A610 PolarHBondContact O-N 3.49Å; A610-S613 PolarHBondContact O-N 3.22Å; A610-V614 WeakPolarHBondContact O-CG2 3.3Å; A610-V614 PolarHBondContact O-N 3.3Å |
| 611 | V | 96 | Very high | 95.6 | Very high | 20 Ų | 20 | 25.5 Ų | 25.5 | 12% | 0.121 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.8 | -49 | 177.8 | 174.7 | 0 | 0 | 0 | 0 | 111 | R374 Q378 A607 S608 F609 S613 V614 S615 | R374-V611 HydrophobicContact CG-CG2 3.74Å; Q378-V611 HydrophobicContact CG-CG2 4.36Å; A607-V611 WeakPolarHBondContact O-CG2 3.31Å; A607-V611 PolarHBondContact O-N 2.96Å; S608-V611 PolarHBondContact O-N 3.23Å; F609-V611 VanDerWaalsContact C-N 3.3Å; F609-V611 PolarHBondContact O-N 3.13Å; V611-S613 PolarHBondContact O-N 3.38Å; V611-V614 PolarHBondContact O-N 2.99Å; V611-S615 VanDerWaalsContact O-CB 3.23Å; V611-S615 WeakPolarHBondContact O-CB 3.19Å; V611-S615 PolarHBondContact O-N 3.36Å; V611-S615 PolarHBondContact O-OG 3.36Å |
| 612 | A | 94.5 | Very high | 95.8 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.9 | -39.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L331 S608 F609 S615 A616 | L331-A612 HydrophobicContact CD2-CB 4.15Å; S608-A612 WeakPolarHBondContact O-CB 3.46Å; S608-A612 PolarHBondContact O-N 2.91Å; F609-A612 PolarHBondContact O-N 2.9Å; A612-S615 PolarHBondContact O-OG 3.37Å; A612-A616 PolarHBondContact O-N 3.01Å |
| 613 | S | 95.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.5 | -39.8 | 179.2 | -58.1 | 0 | 0 | 0 | 0 | 113.5 | F609 A610 V611 P619 Y620 | F609-S613 VanDerWaalsContact O-CB 3.29Å; F609-S613 WeakPolarHBondContact O-CB 3.36Å; F609-S613 PolarHBondContact O-N 3.11Å; F609-S613 PolarHBondContact O-OG 3.08Å; A610-S613 PolarHBondContact O-N 3.22Å; V611-S613 PolarHBondContact O-N 3.38Å; S613-P619 VanDerWaalsContact O-CA 3.32Å; S613-P619 WeakPolarHBondContact O-CA 3.38Å; S613-Y620 PolarHBondContact O-N 2.74Å |
| 614 | V | 95.6 | Very high | 95.7 | Very high | 55 Ų | 55 | 32.6 Ų | 32.6 | 33% | 0.333 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -83.6 | -30.3 | -178.8 | 174.6 | 0 | 0 | 0 | 0 | 112.2 | V368 A610 V611 A616 | V368-V614 HydrophobicContact CB-CG2 4.47Å; V368-V614 HydrophobicContact CG1-CG2 3.97Å; V368-V614 HydrophobicContact CG2-CG2 4.3Å; A610-V614 WeakPolarHBondContact O-CG2 3.3Å; A610-V614 PolarHBondContact O-N 3.3Å; V611-V614 PolarHBondContact O-N 2.99Å; V614-A616 VanDerWaalsContact C-N 3.31Å |
| 615 | S | 92.6 | Very high | 95.6 | Very high | 84 Ų | 84 | 32.8 Ų | 32.8 | 59% | 0.587 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -80.9 | -8.7 | -179.9 | 69.8 | 0 | 0 | 0 | 0 | 114.3 | V611 A612 | V611-S615 VanDerWaalsContact O-CB 3.23Å; V611-S615 WeakPolarHBondContact O-CB 3.19Å; V611-S615 PolarHBondContact O-N 3.36Å; V611-S615 PolarHBondContact O-OG 3.36Å; A612-S615 PolarHBondContact O-OG 3.37Å |
| 616 | A | 91.8 | Very high | 95.2 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 9% | 0.091 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -62.4 | 153.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A612 V614 V618 Y620 | A612-A616 PolarHBondContact O-N 3.01Å; V614-A616 VanDerWaalsContact C-N 3.31Å; A616-V618 WeakPolarHBondContact CB-O 3.4Å; A616-V618 PolarHBondContact O-N 3.13Å; A616-Y620 HydrophobicContact CB-CD1 3.7Å; A616-Y620 HydrophobicContact CB-CE1 3.31Å; A616-Y620 HydrophobicContact CB-CG 4.48Å |
| 617 | P | 90.7 | Very high | 94.4 | Very high | 81 Ų | 81 | 40.3 Ų | 40.3 | 53% | 0.526 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -51.6 | -35.8 | 179.6 | -30.8 | 39.2 | 0 | 0 | 0 | 113.2 | E644 | P617-E644 HydrophobicContact CB-CG 4.34Å; P617-E644 HydrophobicContact CG-CG 4.08Å |
| 618 | V | 92.5 | Very high | 92.8 | Very high | 71 Ų | 71 | 48.9 Ų | 48.9 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -129.3 | 133.1 | 164.6 | 173.4 | 0 | 0 | 0 | 0 | 107.2 | A616 Y620 R639 | A616-V618 WeakPolarHBondContact CB-O 3.4Å; A616-V618 PolarHBondContact O-N 3.13Å; V618-Y620 PolarHBondContact O-N 2.89Å; V618-R639 VanDerWaalsContact CG1-NH1 3.27Å |
| 619 | P | 95.1 | Very high | 91.4 | Very high | 80 Ų | 80 | 51.4 Ų | 51.4 | 52% | 0.519 | 30% | 0.295 | S | S | . | . | trans | -53.6 | 138.5 | -178 | -28.5 | 35.5 | 0 | 0 | 0 | 113 | S613 | S613-P619 VanDerWaalsContact O-CA 3.32Å; S613-P619 WeakPolarHBondContact O-CA 3.38Å | ||
| 620 | Y | 97.4 | Very high | 90.4 | Very high | 11 Ų | 11 | 59.1 Ų | 59.1 | 4% | 0.043 | 32% | 0.324 | C | S | . | . | trans | -71.3 | 157.8 | 174.8 | -64.6 | -8.2 | 0 | 0 | 0 | 111.1 | S613 A616 V618 M689 F695 V696 P697 | S613-Y620 PolarHBondContact O-N 2.74Å; A616-Y620 HydrophobicContact CB-CD1 3.7Å; A616-Y620 HydrophobicContact CB-CE1 3.31Å; A616-Y620 HydrophobicContact CB-CG 4.48Å; V618-Y620 PolarHBondContact O-N 2.89Å; Y620-M689 HydrophobicContact CD2-CE 4.2Å; Y620-M689 HydrophobicContact CE2-CE 3.91Å; Y620-F695 WeakPolarHBondContact CD2-O 3.32Å; Y620-V696 WeakPolarHBondContact CA-O 3.32Å; Y620-V696 WeakPolarHBondContact CB-O 3.23Å; Y620-P697 HydrophobicContact CD1-CB 3.83Å; Y620-P697 HydrophobicContact CE1-CB 3.54Å | ||
| 621 | V | 97.4 | Very high | 90 | Very high | 50 Ų | 50 | 59.9 Ų | 59.9 | 30% | 0.303 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -114.8 | 145.1 | -175.4 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | P623 F695 V696 C698 | V621-P623 WeakPolarHBondContact O-CD 3.33Å; V621-F695 WeakPolarHBondContact O-CA 3.44Å; V621-F695 WeakPolarHBondContact O-CB 3.37Å; V621-V696 PolarHBondContact N-O 3.37Å; V621-V696 PolarHBondContact O-N 3.07Å; V621-C698 WeakPolarHBondContact CG2-O 3.16Å |
| 622 | R | 97.9 | Very high | 89.8 | Confident | 55 Ų | 55 | 64.9 Ų | 64.9 | 21% | 0.208 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 120 | 173.6 | -180 | 170.6 | 177 | 139.4 | 1.9 | 110.3 | E358 D362 E365 F695 | E358-R622 IonicContact OE2-CZ 3.57Å; E358-R622 IonicContact OE2-NE 3.97Å; E358-R622 IonicContact OE2-NH2 3.63Å; E358-R622 PolarHBondContact OE2-NH2 3.02Å; D362-R622 IonicContact OD1-CZ 3.19Å; D362-R622 IonicContact OD1-NH1 3.8Å; D362-R622 PolarHBondContact OD1-NH1 3.06Å; D362-R622 IonicContact OD1-NH2 2.78Å; D362-R622 PolarHBondContact OD1-NH2 3.23Å; E365-R622 WeakPolarHBondContact OE2-CD 3.18Å; E365-R622 IonicContact OE2-CZ 3.93Å; E365-R622 IonicContact OE2-NE 3.17Å; E365-R622 IonicContact OE2-NH1 2.98Å; E365-R622 PolarHBondContact OE2-NH1 2.79Å; R622-F695 HydrophobicContact CB-CD1 4.08Å; R622-F695 HydrophobicContact CB-CE1 3.66Å; R622-F695 HydrophobicContact CB-CE2 4.14Å; R622-F695 HydrophobicContact CB-CZ 3.69Å; R622-F695 HydrophobicContact CG-CD1 4.47Å; R622-F695 HydrophobicContact CG-CE1 3.94Å; R622-F695 HydrophobicContact CG-CZ 4.32Å |
| 623 | P | 97.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 142.5 | 172.2 | 28.7 | -32.9 | 0 | 0 | 0 | 110.8 | L361 V621 A690 V696 A701 L703 | L361-P623 HydrophobicContact CD1-CG 4.02Å; L361-P623 HydrophobicContact CD2-CG 4.04Å; V621-P623 WeakPolarHBondContact O-CD 3.33Å; P623-A690 HydrophobicContact CB-CB 3.96Å; P623-A690 HydrophobicContact CG-CB 3.86Å; P623-V696 HydrophobicContact CB-CG2 4.1Å; P623-V696 HydrophobicContact CG-CG1 4.29Å; P623-V696 HydrophobicContact CG-CG2 4.46Å; P623-A701 HydrophobicContact CB-CB 4.23Å; P623-L703 HydrophobicContact CB-CD2 3.68Å |
| 624 | R | 96 | Very high | 89.9 | Confident | 159 Ų | 159 | 67.4 Ų | 67.4 | 60% | 0.6 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 120.3 | 173 | -175.4 | -178.2 | -177.6 | -178.2 | 2.9 | 110.2 | A701 E702 L703 | R624-A701 PolarHBondContact N-O 2.64Å; R624-E702 HydrophobicContact CB-CG 4.25Å; R624-E702 IonicContact NH1-OE1 3.8Å; R624-E702 WeakPolarHBondContact O-CA 3.12Å; R624-L703 PolarHBondContact O-N 3.24Å |
| 625 | L | 93.5 | Very high | 90 | Very high | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 124.8 | 174.4 | -61.4 | -169.6 | 0 | 0 | 0 | 111.8 | K354 I357 E358 L703 | K354-L625 HydrophobicContact CD-CB 4.28Å; K354-L625 HydrophobicContact CG-CB 4.26Å; K354-L625 HydrophobicContact CG-CD1 4.09Å; K354-L625 PolarHBondContact NZ-O 3.14Å; I357-L625 HydrophobicContact CB-CD1 3.63Å; I357-L625 HydrophobicContact CD1-CD1 3.66Å; I357-L625 HydrophobicContact CG1-CD1 4.25Å; I357-L625 HydrophobicContact CG2-CD1 3.54Å; I357-L625 HydrophobicContact CG2-CG 4.4Å; E358-L625 WeakPolarHBondContact OE1-CB 3.47Å; L625-L703 WeakPolarHBondContact CA-O 3.43Å; L625-L703 HydrophobicContact CD2-CD1 4.31Å; L625-L703 HydrophobicContact CD2-CD2 4.13Å; L625-L703 HydrophobicContact CD2-CG 3.83Å |
| 626 | L | 90.6 | Very high | 90.2 | Very high | 37 Ų | 37 | 63.5 Ų | 63.5 | 19% | 0.194 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 141.7 | 179.2 | -59.1 | 174.8 | 0 | 0 | 0 | 110.8 | R632 E702 L703 | L626-R632 HydrophobicContact CD1-CB 3.65Å; L626-E702 HydrophobicContact CD1-CB 4.34Å; L626-E702 HydrophobicContact CD2-CB 4.36Å; L626-E702 HydrophobicContact CG-CB 4.41Å; L626-L703 PolarHBondContact N-O 2.84Å |
| 627 | D | 80.4 | Confident | 90.4 | Very high | 122 Ų | 122 | 66.4 Ų | 66.4 | 65% | 0.652 | 34% | 0.336 | S | S | * | . | trans | -74.1 | 174.4 | 174.7 | -69.3 | -56.1 | 0 | 0 | 0 | 112.7 | K354 G629 | K354-D627 IonicContact NZ-OD1 2.87Å; K354-D627 PolarHBondContact NZ-OD1 2.71Å; K354-D627 IonicContact NZ-OD2 3.7Å; K354-D627 PolarHBondContact NZ-OD2 3.2Å; D627-G629 PolarHBondContact O-N 3.29Å; D627-G629 VanDerWaalsContact O-N 3.08Å | ||
| 628 | D | 62.7 | Low | 90.7 | Very high | 180 Ų | 180 | 62.5 Ų | 62.5 | 96% | 0.963 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -57.1 | 110.8 | 177.5 | -78.4 | -17.7 | 0 | 0 | 0 | 111.5 | ||
| 629 | G | 67.3 | Low | 90.8 | Very high | 54 Ų | 54 | 60.1 Ų | 60.1 | 56% | 0.557 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -173.6 | -163 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | D627 R631 | D627-G629 PolarHBondContact O-N 3.29Å; D627-G629 VanDerWaalsContact O-N 3.08Å; G629-R631 PolarHBondContact O-N 2.96Å |
| 630 | R | 76.6 | Confident | 90.8 | Very high | 162 Ų | 162 | 56.8 Ų | 56.8 | 61% | 0.611 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -61.2 | 122.6 | 170.9 | -74.6 | -170.7 | -176.2 | -179 | 1.3 | 108.8 | E662 | R630-E662 IonicContact NH1-OE1 3.91Å; R630-E662 PolarHBondContact NH1-OE1 3.06Å; R630-E662 VanDerWaalsContact NH1-OE1 3.1Å |
| 631 | R | 88.1 | Confident | 90.5 | Very high | 16 Ų | 16 | 56.2 Ų | 56.2 | 6% | 0.06 | 27% | 0.27 | C | S | . | . | trans | -63.1 | 139.8 | -176.9 | -58.6 | 178.7 | 73 | -128.9 | -0.4 | 111 | G629 Q660 S704 V705 E742 N743 F778 | G629-R631 PolarHBondContact O-N 2.96Å; R631-Q660 HydrophobicContact CB-CB 4.1Å; R631-Q660 VanDerWaalsContact N-OE1 3.14Å; R631-Q660 WeakPolarHBondContact O-CB 3.41Å; R631-Q660 PolarHBondContact O-N 3.26Å; R631-S704 WeakPolarHBondContact CA-OG 3.39Å; R631-V705 PolarHBondContact NH2-O 2.9Å; R631-E742 PolarHBondContact NH1-O 3.34Å; R631-N743 WeakPolarHBondContact CD-OD1 3.22Å; R631-N743 PolarHBondContact NE-OD1 2.89Å; R631-N743 VanDerWaalsContact NE-OD1 3.1Å; R631-N743 PolarHBondContact NH1-O 2.91Å; R631-N743 PolarHBondContact NH2-O 3.27Å; R631-F778 HydrophobicContact CB-CE2 4.39Å; R631-F778 HydrophobicContact CB-CZ 3.75Å | ||
| 632 | R | 92.8 | Very high | 90.1 | Very high | 125 Ų | 125 | 54.1 Ų | 54.1 | 47% | 0.472 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 151.8 | 178.8 | -62.7 | 176.3 | -179.2 | -177.4 | -3.1 | 111.2 | L626 F658 V659 L703 S704 | L626-R632 HydrophobicContact CD1-CB 3.65Å; R632-F658 VanDerWaalsContact CA-O 3.25Å; R632-F658 WeakPolarHBondContact CA-O 3.36Å; R632-V659 HydrophobicContact CG-CG2 4.38Å; R632-L703 CarbonylContact O-C 3.47Å; R632-L703 WeakPolarHBondContact O-CA 3.38Å; R632-S704 PolarHBondContact N-OG 2.92Å; R632-S704 PolarHBondContact O-N 2.94Å; R632-S704 PolarHBondContact O-OG 2.9Å |
| 633 | L | 95 | Very high | 89.6 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 107.1 | 169.3 | -178.2 | 153.3 | 0 | 0 | 0 | 107.3 | L635 I656 S657 F658 V683 E702 L703 I706 F778 | L633-L635 HydrophobicContact CD2-CD1 3.8Å; L633-L635 HydrophobicContact CD2-CD2 4.35Å; L633-L635 HydrophobicContact CD2-CG 3.66Å; L633-L635 HydrophobicContact CG-CG 4.47Å; L633-I656 HydrophobicContact CD2-CG2 4.2Å; L633-S657 CarbonylContact O-C 3.5Å; L633-S657 VanDerWaalsContact O-CA 3.28Å; L633-S657 WeakPolarHBondContact O-CA 3.09Å; L633-F658 HydrophobicContact CB-CB 4.08Å; L633-F658 HydrophobicContact CB-CD2 4.05Å; L633-F658 HydrophobicContact CB-CG 4.48Å; L633-F658 HydrophobicContact CD2-CD2 3.73Å; L633-F658 HydrophobicContact CD2-CE2 4.16Å; L633-F658 HydrophobicContact CG-CD2 4.38Å; L633-F658 PolarHBondContact N-O 3.1Å; L633-F658 VanDerWaalsContact N-O 3.08Å; L633-F658 PolarHBondContact O-N 2.96Å; L633-V683 HydrophobicContact CD2-CG1 4.14Å; L633-E702 CarbonylContact C-O 3.53Å; L633-E702 WeakPolarHBondContact CA-O 3.27Å; L633-L703 HydrophobicContact CG-CB 4.34Å; L633-I706 HydrophobicContact CD1-CD1 3.89Å; L633-F778 HydrophobicContact CB-CD2 4.46Å; L633-F778 HydrophobicContact CB-CE2 4.11Å |
| 634 | E | 96.3 | Very high | 89.2 | Confident | 57 Ų | 57 | 55.5 Ų | 55.5 | 27% | 0.266 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 116.1 | 179.7 | -175.8 | -178.2 | -133.5 | 0 | 0 | 108.7 | L636 I656 K700 A701 E702 | E634-L636 HydrophobicContact CG-CD2 4.46Å; E634-I656 WeakPolarHBondContact CA-O 3.34Å; E634-K700 IonicContact OE2-NZ 2.82Å; E634-K700 PolarHBondContact OE2-NZ 3.21Å; E634-A701 CarbonylContact O-C 3.57Å; E634-A701 WeakPolarHBondContact O-CA 3.37Å; E634-E702 HydrophobicContact CB-CB 4.4Å; E634-E702 PolarHBondContact N-O 3.13Å; E634-E702 PolarHBondContact O-N 3.11Å |
| 635 | L | 97.4 | Very high | 88.6 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 117 | 175.2 | -49.1 | 176.3 | 0 | 0 | 0 | 108.3 | L633 A638 D655 I656 V683 I686 A701 | L633-L635 HydrophobicContact CD2-CD1 3.8Å; L633-L635 HydrophobicContact CD2-CD2 4.35Å; L633-L635 HydrophobicContact CD2-CG 3.66Å; L633-L635 HydrophobicContact CG-CG 4.47Å; L635-A638 HydrophobicContact CB-CB 3.87Å; L635-A638 HydrophobicContact CD1-CB 4.42Å; L635-D655 CarbonylContact O-C 3.51Å; L635-D655 WeakPolarHBondContact O-CA 3.33Å; L635-I656 HydrophobicContact CB-CG2 3.87Å; L635-I656 HydrophobicContact CD1-CG2 3.88Å; L635-I656 HydrophobicContact CG-CG2 4.03Å; L635-I656 PolarHBondContact N-O 3.39Å; L635-I656 PolarHBondContact O-N 3.28Å; L635-V683 HydrophobicContact CD1-CG1 4.23Å; L635-V683 HydrophobicContact CD1-CG2 4.48Å; L635-I686 HydrophobicContact CD1-CB 4.1Å; L635-I686 HydrophobicContact CD1-CD1 4.02Å; L635-I686 HydrophobicContact CD1-CG2 3.75Å; L635-I686 HydrophobicContact CD2-CG2 3.64Å; L635-I686 HydrophobicContact CG-CG2 4.35Å; L635-A701 HydrophobicContact CD2-CB 3.79Å |
| 636 | L | 97.3 | Very high | 88 | Confident | 55 Ų | 55 | 53.4 Ų | 53.4 | 29% | 0.288 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 134.2 | 174.5 | -59.8 | -176.5 | 0 | 0 | 0 | 110 | E634 A638 D655 C698 E699 K700 | E634-L636 HydrophobicContact CG-CD2 4.46Å; L636-A638 PolarHBondContact O-N 3.43Å; L636-D655 HydrophobicContact CD2-CB 4.43Å; L636-C698 WeakPolarHBondContact O-CB 3.39Å; L636-E699 PolarHBondContact O-N 3.21Å; L636-K700 HydrophobicContact CB-CB 4.05Å; L636-K700 HydrophobicContact CD1-CB 3.93Å; L636-K700 HydrophobicContact CD1-CD 3.91Å; L636-K700 HydrophobicContact CG-CB 4.14Å; L636-K700 PolarHBondContact N-O 3.36Å |
| 637 | Q | 96.1 | Very high | 87 | Confident | 71 Ų | 71 | 56.4 Ų | 56.4 | 33% | 0.332 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.5 | 46.7 | -177.9 | -60.7 | -64.5 | -72.7 | 0 | 0 | 112.1 | P653 D655 E699 | Q637-P653 HydrophobicContact CB-CB 3.81Å; Q637-P653 HydrophobicContact CB-CG 4.41Å; Q637-D655 PolarHBondContact N-OD1 2.98Å; Q637-D655 PolarHBondContact NE2-OD1 2.54Å; Q637-E699 HydrophobicContact CB-CB 3.95Å; Q637-E699 HydrophobicContact CG-CB 4.35Å; Q637-E699 WeakPolarHBondContact CG-OE2 3.48Å |
| 638 | A | 96.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 138.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L635 L636 P653 N654 Q682 I686 | L635-A638 HydrophobicContact CB-CB 3.87Å; L635-A638 HydrophobicContact CD1-CB 4.42Å; L636-A638 PolarHBondContact O-N 3.43Å; A638-P653 WeakPolarHBondContact O-CA 3.09Å; A638-N654 WeakPolarHBondContact CA-O 3.43Å; A638-N654 VanDerWaalsContact CB-O 3.24Å; A638-N654 WeakPolarHBondContact CB-O 3.47Å; A638-N654 PolarHBondContact N-O 2.74Å; A638-N654 PolarHBondContact O-N 2.95Å; A638-Q682 PolarHBondContact O-OE1 3.41Å; A638-I686 HydrophobicContact CB-CD1 3.71Å |
| 639 | R | 95.4 | Very high | 87.6 | Confident | 20 Ų | 20 | 52.6 Ų | 52.6 | 8% | 0.075 | 28% | 0.282 | C | S | . | . | trans | -129.2 | 155.6 | -177.5 | -57.5 | 154.2 | -64.2 | -170.5 | -1.3 | 111.8 | V618 P641 E644 F651 P653 P697 | V618-R639 VanDerWaalsContact CG1-NH1 3.27Å; R639-P641 WeakPolarHBondContact O-CD 3.43Å; R639-E644 WeakPolarHBondContact CB-OE2 3.39Å; R639-E644 WeakPolarHBondContact CD-OE1 3.44Å; R639-E644 WeakPolarHBondContact CD-OE2 3.45Å; R639-E644 IonicContact CZ-OE1 3.2Å; R639-E644 IonicContact CZ-OE2 3.1Å; R639-E644 IonicContact NE-OE1 3.72Å; R639-E644 IonicContact NE-OE2 3.4Å; R639-E644 IonicContact NH1-OE1 2.69Å; R639-E644 PolarHBondContact NH1-OE1 3.38Å; R639-F651 HydrophobicContact CB-CD1 3.83Å; R639-F651 HydrophobicContact CB-CE1 3.83Å; R639-F651 HydrophobicContact CG-CD1 3.91Å; R639-F651 HydrophobicContact CG-CE1 4.14Å; R639-P653 HydrophobicContact CG-CB 3.8Å; R639-P697 HydrophobicContact CB-CB 4.32Å; R639-P697 PolarHBondContact N-O 3.34Å; R639-P697 PolarHBondContact NE-O 3.41Å; R639-P697 VanDerWaalsContact NE-O 3.08Å; R639-P697 VanDerWaalsContact NH2-C 3.29Å; R639-P697 VanDerWaalsContact O-CG 3.22Å; R639-P697 WeakPolarHBondContact O-CG 3.48Å | ||
| 640 | H | 94.2 | Very high | 88.5 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 5% | 0.046 | 29% | 0.293 | C | S | . | . | trans | -83 | 114.5 | 177 | -170.2 | -69.7 | 0 | 0 | 0 | 110.5 | C642 M643 E644 F651 T678 Q682 L685 | H640-C642 VanDerWaalsContact C-N 3.33Å; H640-C642 PolarHBondContact ND1-N 3.16Å; H640-C642 PolarHBondContact O-N 3.07Å; H640-M643 HydrophobicContact CB-CB 4.2Å; H640-M643 HydrophobicContact CB-CE 3.68Å; H640-M643 WeakPolarHBondContact CD2-CE 3.38Å; H640-M643 PolarHBondContact ND1-N 3.34Å; H640-M643 PolarHBondContact O-N 3.08Å; H640-M643 VanDerWaalsContact O-N 3.08Å; H640-E644 PolarHBondContact O-N 3.01Å; H640-F651 HydrophobicContact CB-CD2 4.44Å; H640-F651 HydrophobicContact CB-CE2 3.5Å; H640-F651 VanDerWaalsContact CB-CE2 3.5Å; H640-F651 HydrophobicContact CB-CZ 3.55Å; H640-F651 VanDerWaalsContact N-CZ 3.29Å; H640-T678 HydrophobicContact CB-CG2 4.49Å; H640-Q682 HydrophobicContact CB-CB 3.9Å; H640-L685 VanDerWaalsContact NE2-CD1 3.33Å; H640-L685 WeakPolarHBondContact NE2-CD1 3.4Å | ||
| 641 | P | 91.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60 | -38 | -167.6 | 23 | -33.7 | 0 | 0 | 0 | 113.4 | L327 L330 R639 L685 M689 P697 | L327-P641 HydrophobicContact CD1-CG 4.22Å; L330-P641 HydrophobicContact CD2-CB 3.57Å; L330-P641 WeakPolarHBondContact CD2-O 3.29Å; R639-P641 WeakPolarHBondContact O-CD 3.43Å; P641-L685 HydrophobicContact CG-CB 4.26Å; P641-L685 HydrophobicContact CG-CD1 4.02Å; P641-M689 HydrophobicContact CB-SD 4.02Å; P641-M689 HydrophobicContact CG-SD 3.8Å; P641-P697 HydrophobicContact CB-CG 4.08Å; P641-P697 HydrophobicContact CG-CG 4.42Å |
| 642 | C | 89.3 | Confident | 89.5 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.034 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -82.1 | -21.4 | -179.6 | -45.7 | 0 | 0 | 0 | 0 | 114.6 | H640 T645 | H640-C642 VanDerWaalsContact C-N 3.33Å; H640-C642 PolarHBondContact ND1-N 3.16Å; H640-C642 PolarHBondContact O-N 3.07Å; C642-T645 PolarHBondContact O-OG1 3.44Å |
| 643 | M | 87.6 | Confident | 89.6 | Confident | 62 Ų | 62 | 46.9 Ų | 46.9 | 31% | 0.305 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -95.2 | -28.2 | -177.3 | -77.6 | -171.9 | -79.3 | 0 | 0 | 111.8 | H640 T645 D646 F651 T678 | H640-M643 HydrophobicContact CB-CB 4.2Å; H640-M643 HydrophobicContact CB-CE 3.68Å; H640-M643 WeakPolarHBondContact CD2-CE 3.38Å; H640-M643 PolarHBondContact ND1-N 3.34Å; H640-M643 PolarHBondContact O-N 3.08Å; H640-M643 VanDerWaalsContact O-N 3.08Å; M643-T645 PolarHBondContact O-N 2.64Å; M643-D646 WeakPolarHBondContact O-CB 3.3Å; M643-D646 PolarHBondContact O-N 3.34Å; M643-F651 HydrophobicContact CB-CD2 3.99Å; M643-F651 HydrophobicContact CB-CE2 4.06Å; M643-F651 HydrophobicContact CE-CE2 4.32Å; M643-T678 HydrophobicContact CE-CG2 3.16Å; M643-T678 HydrophobicContact SD-CG2 4.25Å |
| 644 | E | 88.3 | Confident | 89.7 | Confident | 22 Ų | 22 | 47.5 Ų | 47.5 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64 | -29.7 | 174.7 | -172.5 | -176 | -176 | 0 | 0 | 112.2 | P617 R639 H640 D646 F651 | P617-E644 HydrophobicContact CB-CG 4.34Å; P617-E644 HydrophobicContact CG-CG 4.08Å; R639-E644 WeakPolarHBondContact CB-OE2 3.39Å; R639-E644 WeakPolarHBondContact CD-OE1 3.44Å; R639-E644 WeakPolarHBondContact CD-OE2 3.45Å; R639-E644 IonicContact CZ-OE1 3.2Å; R639-E644 IonicContact CZ-OE2 3.1Å; R639-E644 IonicContact NE-OE1 3.72Å; R639-E644 IonicContact NE-OE2 3.4Å; R639-E644 IonicContact NH1-OE1 2.69Å; R639-E644 PolarHBondContact NH1-OE1 3.38Å; H640-E644 PolarHBondContact O-N 3.01Å; E644-D646 VanDerWaalsContact C-N 3.28Å; E644-D646 PolarHBondContact O-N 3.05Å; E644-F651 HydrophobicContact CB-CB 4.3Å; E644-F651 HydrophobicContact CB-CG 4.47Å; E644-F651 HydrophobicContact CG-CB 4.37Å |
| 645 | T | 82.5 | Confident | 89.7 | Confident | 58 Ų | 58 | 48.7 Ų | 48.7 | 36% | 0.356 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -7.8 | 179.4 | 49 | 0 | 0 | 0 | 0 | 114.6 | L330 C642 M643 A647 | L330-T645 HydrophobicContact CD1-CG2 3.71Å; C642-T645 PolarHBondContact O-OG1 3.44Å; M643-T645 PolarHBondContact O-N 2.64Å; T645-A647 PolarHBondContact O-N 2.84Å |
| 646 | D | 81.1 | Confident | 89.6 | Confident | 62 Ų | 62 | 49 Ų | 49 | 33% | 0.332 | 29% | 0.287 | S | S | . | . | trans | -74.3 | 118.2 | 177.9 | -176.8 | 17.9 | 0 | 0 | 0 | 110.1 | M643 E644 D648 T649 | M643-D646 WeakPolarHBondContact O-CB 3.3Å; M643-D646 PolarHBondContact O-N 3.34Å; E644-D646 VanDerWaalsContact C-N 3.28Å; E644-D646 PolarHBondContact O-N 3.05Å; D646-D648 PolarHBondContact O-N 3.11Å; D646-T649 PolarHBondContact O-N 3.29Å; D646-T649 VanDerWaalsContact O-N 3.12Å; D646-T649 PolarHBondContact OD2-OG1 3.37Å | ||
| 647 | A | 70.9 | Confident | 89.6 | Confident | 100 Ų | 100 | 48.2 Ų | 48.2 | 83% | 0.826 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -26.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T645 | T645-A647 PolarHBondContact O-N 2.84Š|
| 648 | D | 76.2 | Confident | 89.5 | Confident | 156 Ų | 156 | 44.8 Ų | 44.8 | 83% | 0.834 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -4.1 | -178 | -65.9 | -32.7 | 0 | 0 | 0 | 112.9 | D646 | D646-D648 PolarHBondContact O-N 3.11Š|
| 649 | T | 78.6 | Confident | 89.3 | Confident | 65 Ų | 65 | 45.7 Ų | 45.7 | 40% | 0.399 | 28% | 0.276 | S | S | . | . | trans | -118.1 | 113.6 | -172.5 | -60.1 | 0 | 0 | 0 | 0 | 112 | D646 F651 | D646-T649 PolarHBondContact O-N 3.29Å; D646-T649 VanDerWaalsContact O-N 3.12Å; D646-T649 PolarHBondContact OD2-OG1 3.37Å; T649-F651 PolarHBondContact O-N 3.33Å | ||
| 650 | A | 86.1 | Confident | 88.9 | Confident | 96 Ų | 96 | 47.1 Ų | 47.1 | 79% | 0.793 | 28% | 0.283 | S | S | * | . | trans | -77.4 | 114.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 651 | F | 91.8 | Very high | 88.3 | Confident | 46 Ų | 46 | 49.4 Ų | 49.4 | 20% | 0.202 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -91.9 | 134.1 | -178.9 | -161.3 | -82.5 | 0 | 0 | 0 | 112.3 | R639 H640 M643 E644 T649 T678 | R639-F651 HydrophobicContact CB-CD1 3.83Å; R639-F651 HydrophobicContact CB-CE1 3.83Å; R639-F651 HydrophobicContact CG-CD1 3.91Å; R639-F651 HydrophobicContact CG-CE1 4.14Å; H640-F651 HydrophobicContact CB-CD2 4.44Å; H640-F651 HydrophobicContact CB-CE2 3.5Å; H640-F651 VanDerWaalsContact CB-CE2 3.5Å; H640-F651 HydrophobicContact CB-CZ 3.55Å; H640-F651 VanDerWaalsContact N-CZ 3.29Å; M643-F651 HydrophobicContact CB-CD2 3.99Å; M643-F651 HydrophobicContact CB-CE2 4.06Å; M643-F651 HydrophobicContact CE-CE2 4.32Å; E644-F651 HydrophobicContact CB-CB 4.3Å; E644-F651 HydrophobicContact CB-CG 4.47Å; E644-F651 HydrophobicContact CG-CB 4.37Å; T649-F651 PolarHBondContact O-N 3.33Å; F651-T678 HydrophobicContact CE2-CG2 3.86Å; F651-T678 HydrophobicContact CZ-CG2 4Å |
| 652 | I | 93.8 | Very high | 88.1 | Confident | 56 Ų | 56 | 54 Ų | 54 | 29% | 0.287 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -102.4 | 117.7 | 178.2 | -61.9 | -179.8 | 0 | 0 | 0 | 109.7 | N654 L815 Y816 R817 | I652-N654 PolarHBondContact O-ND2 3.35Å; I652-N654 VanDerWaalsContact O-ND2 3.12Å; I652-L815 WeakPolarHBondContact CD1-O 3.29Å; I652-Y816 HydrophobicContact CD1-CD2 4.33Å; I652-R817 HydrophobicContact CG2-CG 3.82Å |
| 653 | P | 95.4 | Very high | 88.2 | Confident | 39 Ų | 39 | 58 Ų | 58 | 25% | 0.253 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 149.6 | 178.8 | 27.7 | -35.5 | 0 | 0 | 0 | 112.4 | Q637 A638 R639 | Q637-P653 HydrophobicContact CB-CB 3.81Å; Q637-P653 HydrophobicContact CB-CG 4.41Å; A638-P653 WeakPolarHBondContact O-CA 3.09Å; R639-P653 HydrophobicContact CG-CB 3.8Å |
| 654 | N | 96.4 | Very high | 88.4 | Confident | 15 Ų | 15 | 55.1 Ų | 55.1 | 8% | 0.08 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 149.2 | -180 | -72.7 | -78 | 0 | 0 | 0 | 112.3 | A638 I652 F679 Y816 R817 V818 | A638-N654 WeakPolarHBondContact CA-O 3.43Å; A638-N654 VanDerWaalsContact CB-O 3.24Å; A638-N654 WeakPolarHBondContact CB-O 3.47Å; A638-N654 PolarHBondContact N-O 2.74Å; A638-N654 PolarHBondContact O-N 2.95Å; I652-N654 PolarHBondContact O-ND2 3.35Å; I652-N654 VanDerWaalsContact O-ND2 3.12Å; N654-F679 HydrophobicContact CB-CD2 3.84Å; N654-F679 HydrophobicContact CB-CE2 3.64Å; N654-Y816 PolarHBondContact ND2-O 3.39Å; N654-Y816 PolarHBondContact OD1-O 3.27Å; N654-R817 WeakPolarHBondContact OD1-CA 3.48Å; N654-V818 HydrophobicContact CB-CG2 4.34Å; N654-V818 PolarHBondContact OD1-N 3.04Å |
| 655 | D | 96.8 | Very high | 88.8 | Confident | 83 Ų | 83 | 54.1 Ų | 54.1 | 44% | 0.444 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 150.3 | -179.1 | -55.5 | -21.1 | 0 | 0 | 0 | 111.3 | L635 L636 Q637 | L635-D655 CarbonylContact O-C 3.51Å; L635-D655 WeakPolarHBondContact O-CA 3.33Å; L636-D655 HydrophobicContact CD2-CB 4.43Å; Q637-D655 PolarHBondContact N-OD1 2.98Å; Q637-D655 PolarHBondContact NE2-OD1 2.54Å |
| 656 | I | 95.9 | Very high | 89.5 | Confident | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 142.4 | 167.6 | -170.5 | 156.9 | 0 | 0 | 0 | 111.9 | L633 E634 L635 F658 Y666 F679 V683 L780 | L633-I656 HydrophobicContact CD2-CG2 4.2Å; E634-I656 WeakPolarHBondContact CA-O 3.34Å; L635-I656 HydrophobicContact CB-CG2 3.87Å; L635-I656 HydrophobicContact CD1-CG2 3.88Å; L635-I656 HydrophobicContact CG-CG2 4.03Å; L635-I656 PolarHBondContact N-O 3.39Å; L635-I656 PolarHBondContact O-N 3.28Å; I656-F658 HydrophobicContact CD1-CD2 4.27Å; I656-F658 HydrophobicContact CD1-CE2 3.42Å; I656-F658 VanDerWaalsContact CD1-CE2 3.42Å; I656-F658 HydrophobicContact CD1-CZ 3.87Å; I656-F658 HydrophobicContact CG1-CD2 4.1Å; I656-F658 HydrophobicContact CG1-CE2 3.74Å; I656-Y666 HydrophobicContact CD1-CD2 4.1Å; I656-Y666 HydrophobicContact CD1-CE2 4.23Å; I656-Y666 HydrophobicContact CG1-CE2 4.14Å; I656-F679 HydrophobicContact CB-CZ 4.12Å; I656-F679 HydrophobicContact CD1-CE1 4.03Å; I656-F679 HydrophobicContact CD1-CZ 3.89Å; I656-F679 HydrophobicContact CG1-CZ 4.48Å; I656-V683 HydrophobicContact CD1-CG2 4.24Å; I656-V683 HydrophobicContact CG2-CG2 3.88Å; I656-L780 HydrophobicContact CD1-CD2 3.59Å |
| 657 | S | 95.9 | Very high | 90.2 | Very high | 38 Ų | 38 | 49 Ų | 49 | 27% | 0.266 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 114.8 | 178.5 | 168.3 | 0 | 0 | 0 | 0 | 111 | L633 Y666 | L633-S657 CarbonylContact O-C 3.5Å; L633-S657 VanDerWaalsContact O-CA 3.28Å; L633-S657 WeakPolarHBondContact O-CA 3.09Å; S657-Y666 PolarHBondContact O-OH 3.14Å |
| 658 | F | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 139.2 | 166.7 | -67.7 | -94.5 | 0 | 0 | 0 | 111.2 | R632 L633 I656 K663 S664 Y666 V683 F778 L780 | R632-F658 VanDerWaalsContact CA-O 3.25Å; R632-F658 WeakPolarHBondContact CA-O 3.36Å; L633-F658 HydrophobicContact CB-CB 4.08Å; L633-F658 HydrophobicContact CB-CD2 4.05Å; L633-F658 HydrophobicContact CB-CG 4.48Å; L633-F658 HydrophobicContact CD2-CD2 3.73Å; L633-F658 HydrophobicContact CD2-CE2 4.16Å; L633-F658 HydrophobicContact CG-CD2 4.38Å; L633-F658 PolarHBondContact N-O 3.1Å; L633-F658 VanDerWaalsContact N-O 3.08Å; L633-F658 PolarHBondContact O-N 2.96Å; I656-F658 HydrophobicContact CD1-CD2 4.27Å; I656-F658 HydrophobicContact CD1-CE2 3.42Å; I656-F658 VanDerWaalsContact CD1-CE2 3.42Å; I656-F658 HydrophobicContact CD1-CZ 3.87Å; I656-F658 HydrophobicContact CG1-CD2 4.1Å; I656-F658 HydrophobicContact CG1-CE2 3.74Å; F658-K663 VanDerWaalsContact CA-O 3.23Å; F658-K663 WeakPolarHBondContact CA-O 3.41Å; F658-K663 WeakPolarHBondContact CD1-O 3.27Å; F658-S664 WeakPolarHBondContact CE1-O 3.41Å; F658-Y666 HydrophobicContact CD1-CD2 4.05Å; F658-Y666 AromaticContact CD1-CE2 3.85Å; F658-Y666 HydrophobicContact CD1-CE2 3.85Å; F658-Y666 HydrophobicContact CD2-CE2 4.34Å; F658-Y666 AromaticContact CE1-CD2 3.44Å; F658-Y666 HydrophobicContact CE1-CD2 3.44Å; F658-Y666 VanDerWaalsContact CE1-CD2 3.44Å; F658-Y666 AromaticContact CE1-CE2 3.72Å; F658-Y666 HydrophobicContact CE1-CE2 3.72Å; F658-Y666 HydrophobicContact CE2-CD2 4.26Å; F658-Y666 HydrophobicContact CE2-CE2 4.25Å; F658-Y666 HydrophobicContact CG-CE2 4.18Å; F658-Y666 AromaticContact CZ-CD2 3.57Å; F658-Y666 HydrophobicContact CZ-CD2 3.57Å; F658-Y666 AromaticContact CZ-CE2 3.95Å; F658-Y666 HydrophobicContact CZ-CE2 3.95Å; F658-V683 HydrophobicContact CE2-CG1 4.45Å; F658-F778 HydrophobicContact CB-CD1 3.74Å; F658-F778 HydrophobicContact CB-CD2 4.32Å; F658-F778 HydrophobicContact CB-CE1 3.65Å; F658-F778 HydrophobicContact CB-CE2 4.24Å; F658-F778 HydrophobicContact CB-CG 4.09Å; F658-F778 HydrophobicContact CB-CZ 3.9Å; F658-F778 HydrophobicContact CD1-CB 3.85Å; F658-F778 AromaticContact CD1-CD1 3.67Å; F658-F778 HydrophobicContact CD1-CD1 3.67Å; F658-F778 HydrophobicContact CD1-CE1 4.42Å; F658-F778 AromaticContact CD1-CG 3.84Å; F658-F778 HydrophobicContact CD1-CG 3.84Å; F658-F778 HydrophobicContact CE1-CB 3.93Å; F658-F778 HydrophobicContact CE1-CG 4.43Å; F658-F778 HydrophobicContact CG-CB 4.32Å; F658-F778 AromaticContact CG-CD1 3.95Å; F658-F778 HydrophobicContact CG-CD1 3.95Å; F658-F778 HydrophobicContact CG-CD2 4.43Å; F658-F778 HydrophobicContact CG-CE1 4.37Å; F658-F778 AromaticContact CG-CG 3.99Å; F658-F778 HydrophobicContact CG-CG 3.99Å; F658-F778 HydrophobicContact CZ-CB 4.47Å; F658-L780 HydrophobicContact CE2-CD2 4.48Å; F658-L780 HydrophobicContact CZ-CD1 4.38Å; F658-L780 HydrophobicContact CZ-CD2 3.82Å; F658-L780 HydrophobicContact CZ-CG 3.87Å |
| 659 | V | 92.8 | Very high | 92.1 | Very high | 19 Ų | 19 | 37.1 Ų | 37.1 | 12% | 0.115 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 119.6 | 171.1 | -178.5 | 0 | 0 | 0 | 0 | 107.4 | R632 G661 E662 K663 | R632-V659 HydrophobicContact CG-CG2 4.38Å; V659-G661 PolarHBondContact O-N 3.28Å; V659-E662 HydrophobicContact CB-CB 4.22Å; V659-E662 HydrophobicContact CG1-CB 4.2Å; V659-E662 HydrophobicContact CG1-CG 4.41Å; V659-E662 PolarHBondContact O-N 3.41Å; V659-K663 PolarHBondContact N-O 2.79Å; V659-K663 CarbonylContact O-C 3.4Å; V659-K663 PolarHBondContact O-N 2.96Å |
| 660 | Q | 86.9 | Confident | 92.4 | Very high | 49 Ų | 49 | 34.9 Ų | 34.9 | 23% | 0.229 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 128.3 | -177.9 | -169.1 | 179.9 | 16 | 0 | 0 | 111.5 | R631 E662 F778 | R631-Q660 HydrophobicContact CB-CB 4.1Å; R631-Q660 VanDerWaalsContact N-OE1 3.14Å; R631-Q660 WeakPolarHBondContact O-CB 3.41Å; R631-Q660 PolarHBondContact O-N 3.26Å; Q660-E662 VanDerWaalsContact C-N 3.26Å; Q660-E662 PolarHBondContact O-N 3.2Å; Q660-F778 HydrophobicContact CB-CE1 4.5Å |
| 661 | G | 81.8 | Confident | 92.3 | Very high | 58 Ų | 58 | 30.9 Ų | 30.9 | 60% | 0.598 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | -10 | -179 | 0 | 0 | 0 | 0 | 0 | 115.8 | V659 | V659-G661 PolarHBondContact O-N 3.28Š|
| 662 | E | 88 | Confident | 91.7 | Very high | 97 Ų | 97 | 33.4 Ų | 33.4 | 45% | 0.453 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | -51.7 | -179.9 | -68 | 173.2 | -155.9 | 0 | 0 | 111.8 | R630 V659 Q660 S797 N799 | R630-E662 IonicContact NH1-OE1 3.91Å; R630-E662 PolarHBondContact NH1-OE1 3.06Å; R630-E662 VanDerWaalsContact NH1-OE1 3.1Å; V659-E662 HydrophobicContact CB-CB 4.22Å; V659-E662 HydrophobicContact CG1-CB 4.2Å; V659-E662 HydrophobicContact CG1-CG 4.41Å; V659-E662 PolarHBondContact O-N 3.41Å; Q660-E662 VanDerWaalsContact C-N 3.26Å; Q660-E662 PolarHBondContact O-N 3.2Å; E662-S797 WeakPolarHBondContact O-CA 3.28Å; E662-N799 PolarHBondContact O-ND2 2.88Å |
| 663 | K | 90.5 | Very high | 91.1 | Very high | 88 Ų | 88 | 38.8 Ų | 38.8 | 38% | 0.383 | 22% | 0.219 | S | C | . | . | B | Isolated β-bridge | trans | -133.1 | 72 | 179.1 | -59.4 | -175.3 | -178.2 | 179.2 | 0 | 108.8 | F658 V659 Y666 | F658-K663 VanDerWaalsContact CA-O 3.23Å; F658-K663 WeakPolarHBondContact CA-O 3.41Å; F658-K663 WeakPolarHBondContact CD1-O 3.27Å; V659-K663 PolarHBondContact N-O 2.79Å; V659-K663 CarbonylContact O-C 3.4Å; V659-K663 PolarHBondContact O-N 2.96Å; K663-Y666 WeakPolarHBondContact CD-OH 3.5Å |
| 664 | S | 92.1 | Very high | 90.4 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | trans | -101 | -22.2 | -179.1 | 59.6 | 0 | 0 | 0 | 0 | 112.9 | F658 F778 C779 S797 | F658-S664 WeakPolarHBondContact CE1-O 3.41Å; S664-F778 CarbonylContact O-C 3.55Å; S664-F778 VanDerWaalsContact O-CA 3.32Å; S664-F778 WeakPolarHBondContact O-CA 3.36Å; S664-C779 PolarHBondContact O-N 2.94Å; S664-S797 PolarHBondContact N-O 2.88Å; S664-S797 VanDerWaalsContact N-O 3.15Å; S664-S797 WeakPolarHBondContact OG-CB 3.46Å | ||
| 665 | F | 96.2 | Very high | 90 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 125.6 | -174.9 | -166.5 | -70 | 0 | 0 | 0 | 110.8 | I667 I771 C779 F781 S797 V798 N799 | F665-I667 HydrophobicContact CD1-CG1 4.04Å; F665-I667 HydrophobicContact CE1-CD1 4.48Å; F665-I667 HydrophobicContact CE1-CG1 3.65Å; F665-I771 HydrophobicContact CD2-CB 4.39Å; F665-I771 HydrophobicContact CD2-CG2 3.96Å; F665-I771 HydrophobicContact CE2-CB 4Å; F665-I771 HydrophobicContact CE2-CG2 3.89Å; F665-C779 WeakPolarHBondContact CA-O 3.33Å; F665-C779 HydrophobicContact CD2-CB 3.46Å; F665-C779 VanDerWaalsContact CD2-CB 3.46Å; F665-C779 HydrophobicContact CE2-CB 3.77Å; F665-C779 WeakPolarHBondContact CE2-SG 3.41Å; F665-C779 HydrophobicContact CG-CB 4.11Å; F665-F781 HydrophobicContact CE1-CB 3.94Å; F665-F781 HydrophobicContact CZ-CB 3.95Å; F665-F781 AromaticContact CZ-CD2 3.91Å; F665-F781 HydrophobicContact CZ-CD2 3.91Å; F665-F781 HydrophobicContact CZ-CG 4.43Å; F665-S797 PolarHBondContact N-O 3.1Å; F665-S797 VanDerWaalsContact N-O 3.14Å; F665-V798 HydrophobicContact CB-CB 4.49Å; F665-V798 HydrophobicContact CB-CG2 3.92Å; F665-V798 HydrophobicContact CD1-CG1 4.01Å; F665-V798 HydrophobicContact CD1-CG2 4.18Å; F665-V798 HydrophobicContact CG-CG2 4.12Å; F665-V798 CarbonylContact O-C 3.58Å; F665-V798 WeakPolarHBondContact O-CA 3.39Å; F665-N799 PolarHBondContact O-N 2.85Å |
| 666 | Y | 97.1 | Very high | 89.7 | Confident | 13 Ų | 13 | 33.6 Ų | 33.6 | 5% | 0.051 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 122 | 177.1 | -74 | -69.8 | 0 | 0 | 0 | 111.6 | I656 S657 F658 K663 C779 L780 F781 N799 L801 | I656-Y666 HydrophobicContact CD1-CD2 4.1Å; I656-Y666 HydrophobicContact CD1-CE2 4.23Å; I656-Y666 HydrophobicContact CG1-CE2 4.14Å; S657-Y666 PolarHBondContact O-OH 3.14Å; F658-Y666 HydrophobicContact CD1-CD2 4.05Å; F658-Y666 AromaticContact CD1-CE2 3.85Å; F658-Y666 HydrophobicContact CD1-CE2 3.85Å; F658-Y666 HydrophobicContact CD2-CE2 4.34Å; F658-Y666 AromaticContact CE1-CD2 3.44Å; F658-Y666 HydrophobicContact CE1-CD2 3.44Å; F658-Y666 VanDerWaalsContact CE1-CD2 3.44Å; F658-Y666 AromaticContact CE1-CE2 3.72Å; F658-Y666 HydrophobicContact CE1-CE2 3.72Å; F658-Y666 HydrophobicContact CE2-CD2 4.26Å; F658-Y666 HydrophobicContact CE2-CE2 4.25Å; F658-Y666 HydrophobicContact CG-CE2 4.18Å; F658-Y666 AromaticContact CZ-CD2 3.57Å; F658-Y666 HydrophobicContact CZ-CD2 3.57Å; F658-Y666 AromaticContact CZ-CE2 3.95Å; F658-Y666 HydrophobicContact CZ-CE2 3.95Å; K663-Y666 WeakPolarHBondContact CD-OH 3.5Å; Y666-C779 PolarHBondContact N-O 3.38Å; Y666-L780 HydrophobicContact CD2-CD2 4.28Å; Y666-F781 PolarHBondContact O-N 3.01Å; Y666-N799 VanDerWaalsContact CA-O 3.32Å; Y666-N799 WeakPolarHBondContact CA-O 3.33Å; Y666-N799 HydrophobicContact CD1-CB 3.69Å; Y666-N799 HydrophobicContact CE1-CB 3.57Å; Y666-L801 HydrophobicContact CD1-CD1 3.56Å; Y666-L801 HydrophobicContact CD1-CD2 4.27Å; Y666-L801 HydrophobicContact CD1-CG 3.62Å; Y666-L801 HydrophobicContact CE1-CD1 4.03Å; Y666-L801 HydrophobicContact CE1-CD2 4.26Å; Y666-L801 HydrophobicContact CE1-CG 4.11Å; Y666-L801 HydrophobicContact CG-CD1 3.87Å; Y666-L801 HydrophobicContact CG-CG 4.35Å |
| 667 | I | 95.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 123.1 | 167.7 | -61.1 | 166.5 | 0 | 0 | 0 | 107.3 | F665 T669 T783 L788 T789 L791 V798 N799 N800 L801 | F665-I667 HydrophobicContact CD1-CG1 4.04Å; F665-I667 HydrophobicContact CE1-CD1 4.48Å; F665-I667 HydrophobicContact CE1-CG1 3.65Å; I667-T669 HydrophobicContact CG2-CG2 4.27Å; I667-T783 HydrophobicContact CG2-CG2 3.8Å; I667-L788 HydrophobicContact CD1-CG 4.05Å; I667-L788 VanDerWaalsContact CD1-O 3.26Å; I667-L788 WeakPolarHBondContact CD1-O 3.3Å; I667-T789 HydrophobicContact CG2-CG2 4.21Å; I667-L791 HydrophobicContact CD1-CB 4.12Å; I667-L791 HydrophobicContact CD1-CD2 4.45Å; I667-V798 HydrophobicContact CD1-CG1 3.53Å; I667-V798 HydrophobicContact CG1-CG1 4.02Å; I667-N799 PolarHBondContact N-O 3.46Å; I667-N800 WeakPolarHBondContact CB-OD1 3.32Å; I667-L801 PolarHBondContact O-N 3.45Å; I667-L801 VanDerWaalsContact O-O 3.11Å |
| 668 | I | 94.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 114 | -174.3 | -48.8 | -179.8 | 0 | 0 | 0 | 109.2 | K676 F679 I680 L780 F781 A782 T783 L801 V803 | I668-K676 HydrophobicContact CG2-CG 4.31Å; I668-F679 HydrophobicContact CD1-CD1 3.64Å; I668-F679 HydrophobicContact CD1-CE1 3.73Å; I668-I680 HydrophobicContact CD1-CG2 3.55Å; I668-L780 HydrophobicContact CD1-CD2 3.83Å; I668-F781 PolarHBondContact N-O 3.12Å; I668-A782 WeakPolarHBondContact O-CA 3.5Å; I668-T783 PolarHBondContact O-N 2.64Å; I668-L801 WeakPolarHBondContact CA-O 3.47Å; I668-L801 HydrophobicContact CG1-CB 4.3Å; I668-V803 HydrophobicContact CG2-CG2 4.48Å |
| 669 | T | 91.3 | Very high | 89.2 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 171.8 | 179.8 | 58.3 | 0 | 0 | 0 | 0 | 111.7 | I667 T783 T789 L801 H802 V803 | I667-T669 HydrophobicContact CG2-CG2 4.27Å; T669-T783 HydrophobicContact CG2-CG2 4.05Å; T669-T789 HydrophobicContact CG2-CG2 3.64Å; T669-L801 PolarHBondContact N-O 3.43Å; T669-L801 PolarHBondContact OG1-O 2.88Å; T669-H802 CarbonylContact O-C 3.57Å; T669-H802 WeakPolarHBondContact O-CA 3.11Å; T669-V803 PolarHBondContact O-N 2.74Å |
| 670 | G | 86.4 | Confident | 89.3 | Confident | 18 Ų | 18 | 34.4 Ų | 34.4 | 19% | 0.186 | 20% | 0.198 | C | C | . | . | trans | 132.7 | 173.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K676 | G670-K676 PolarHBondContact O-NZ 2.69Š| ||
| 671 | P | 82.4 | Confident | 89.5 | Confident | 12 Ų | 12 | 35.1 Ų | 35.1 | 8% | 0.078 | 20% | 0.199 | C | C | . | . | trans | -63 | 156.5 | -173.2 | 23.8 | -31.7 | 0 | 0 | 0 | 113 | G674 K676 A805 M814 F827 | P671-G674 PolarHBondContact O-N 2.89Å; P671-K676 PolarHBondContact O-NZ 2.81Å; P671-A805 HydrophobicContact CG-CB 3.83Å; P671-M814 HydrophobicContact CB-CE 4.05Å; P671-M814 HydrophobicContact CB-SD 4.4Å; P671-M814 HydrophobicContact CG-CE 4.14Å; P671-M814 HydrophobicContact CG-SD 3.83Å; P671-F827 HydrophobicContact CB-CB 4.2Å; P671-F827 HydrophobicContact CB-CD2 3.78Å; P671-F827 HydrophobicContact CB-CG 4.32Å; P671-F827 HydrophobicContact CG-CD2 3.75Å; P671-F827 HydrophobicContact CG-CE2 4.16Å | ||
| 672 | N | 79.9 | Confident | 90.1 | Very high | 98 Ų | 98 | 32.4 Ų | 32.4 | 52% | 0.524 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 148 | 167.1 | -69 | -13.6 | 0 | 0 | 0 | 109.3 | G674 M814 | N672-G674 PolarHBondContact O-N 3.39Å; N672-G674 VanDerWaalsContact O-N 3.08Å; N672-M814 VanDerWaalsContact O-CE 3.25Å; N672-M814 WeakPolarHBondContact O-CE 3.46Å |
| 673 | M | 80.4 | Confident | 90.5 | Very high | 170 Ų | 170 | 27.8 Ų | 27.8 | 84% | 0.837 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63 | 2.5 | -170.9 | -55.4 | 174.7 | 162.6 | 0 | 0 | 115.7 | G675 M814 Y816 | M673-G675 PolarHBondContact O-N 3.16Å; M673-M814 HydrophobicContact CB-CE 4.43Å; M673-Y816 WeakPolarHBondContact O-CE1 3.38Å |
| 674 | G | 81.5 | Confident | 90.7 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -68.5 | -9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | P671 N672 V803 Y816 | P671-G674 PolarHBondContact O-N 2.89Å; N672-G674 PolarHBondContact O-N 3.39Å; N672-G674 VanDerWaalsContact O-N 3.08Å; G674-V803 WeakPolarHBondContact O-CG1 3.45Å; G674-Y816 VanDerWaalsContact O-CD1 3.3Å; G674-Y816 WeakPolarHBondContact O-CD1 3.45Å |
| 675 | G | 87.4 | Confident | 90.8 | Very high | 18 Ų | 18 | 23.4 Ų | 23.4 | 19% | 0.186 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 94.7 | 17.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | M673 S677 T678 F679 | M673-G675 PolarHBondContact O-N 3.16Å; G675-S677 PolarHBondContact O-N 2.55Å; G675-T678 WeakPolarHBondContact O-CB 3.36Å; G675-T678 PolarHBondContact O-N 2.91Å; G675-F679 WeakPolarHBondContact O-CB 3.44Å; G675-F679 PolarHBondContact O-N 3.14Å |
| 676 | K | 91.3 | Very high | 90.8 | Very high | 8 Ų | 8 | 23.5 Ų | 23.5 | 4% | 0.035 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -53.7 | -53.6 | 175 | -59.9 | -172.5 | -61.8 | -81.3 | 0 | 112.2 | I668 G670 P671 T678 F679 I680 A782 V803 | I668-K676 HydrophobicContact CG2-CG 4.31Å; G670-K676 PolarHBondContact O-NZ 2.69Å; P671-K676 PolarHBondContact O-NZ 2.81Å; K676-T678 VanDerWaalsContact C-N 3.32Å; K676-T678 PolarHBondContact O-N 3.46Å; K676-F679 PolarHBondContact O-N 3.26Å; K676-I680 PolarHBondContact O-N 3.43Å; K676-I680 VanDerWaalsContact O-N 3.08Å; K676-A782 HydrophobicContact CB-CB 4.03Å; K676-V803 HydrophobicContact CG-CG2 3.75Å |
| 677 | S | 90.1 | Very high | 90.8 | Very high | 35 Ų | 35 | 22.9 Ų | 22.9 | 25% | 0.245 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.9 | -38.1 | 178.9 | -47.2 | 0 | 0 | 0 | 0 | 112.3 | G675 I680 R681 D749 | G675-S677 PolarHBondContact O-N 2.55Å; S677-I680 VanDerWaalsContact O-CG1 3.31Å; S677-I680 WeakPolarHBondContact O-CG1 3.35Å; S677-R681 WeakPolarHBondContact O-CB 3.46Å; S677-R681 WeakPolarHBondContact O-CD 3.23Å; S677-R681 WeakPolarHBondContact O-CG 3.26Å; S677-R681 PolarHBondContact O-N 3.13Å; S677-R681 VanDerWaalsContact O-N 3.1Å; S677-D749 WeakPolarHBondContact CB-OD2 3.01Å; S677-D749 PolarHBondContact OG-OD1 3.16Å; S677-D749 PolarHBondContact OG-OD2 3.34Å |
| 678 | T | 91.7 | Very high | 90.8 | Very high | 42 Ų | 42 | 22.9 Ų | 22.9 | 26% | 0.258 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -60.1 | -46.9 | 173.8 | -65.6 | 0 | 0 | 0 | 0 | 111.2 | H640 M643 F651 G675 K676 R681 Q682 | H640-T678 HydrophobicContact CB-CG2 4.49Å; M643-T678 HydrophobicContact CE-CG2 3.16Å; M643-T678 HydrophobicContact SD-CG2 4.25Å; F651-T678 HydrophobicContact CE2-CG2 3.86Å; F651-T678 HydrophobicContact CZ-CG2 4Å; G675-T678 WeakPolarHBondContact O-CB 3.36Å; G675-T678 PolarHBondContact O-N 2.91Å; K676-T678 VanDerWaalsContact C-N 3.32Å; K676-T678 PolarHBondContact O-N 3.46Å; T678-R681 PolarHBondContact O-N 2.95Å; T678-Q682 WeakPolarHBondContact O-CG 3.2Å; T678-Q682 PolarHBondContact O-N 3.48Å |
| 679 | F | 94.3 | Very high | 90.9 | Very high | 5 Ų | 5 | 22.9 Ų | 22.9 | 2% | 0.022 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.8 | -41.8 | -178.7 | 178.2 | -101.8 | 0 | 0 | 0 | 112.8 | N654 I656 I668 G675 K676 Q682 V683 L780 L801 V818 | N654-F679 HydrophobicContact CB-CD2 3.84Å; N654-F679 HydrophobicContact CB-CE2 3.64Å; I656-F679 HydrophobicContact CB-CZ 4.12Å; I656-F679 HydrophobicContact CD1-CE1 4.03Å; I656-F679 HydrophobicContact CD1-CZ 3.89Å; I656-F679 HydrophobicContact CG1-CZ 4.48Å; I668-F679 HydrophobicContact CD1-CD1 3.64Å; I668-F679 HydrophobicContact CD1-CE1 3.73Å; G675-F679 WeakPolarHBondContact O-CB 3.44Å; G675-F679 PolarHBondContact O-N 3.14Å; K676-F679 PolarHBondContact O-N 3.26Å; F679-Q682 WeakPolarHBondContact O-CG 3.4Å; F679-V683 WeakPolarHBondContact O-CG2 3.44Å; F679-L780 HydrophobicContact CE1-CD2 4.43Å; F679-L801 HydrophobicContact CE1-CD1 4.3Å; F679-V818 HydrophobicContact CB-CG2 4.38Å; F679-V818 HydrophobicContact CD1-CG2 4.25Å; F679-V818 HydrophobicContact CD2-CG2 3.6Å; F679-V818 HydrophobicContact CE1-CG1 4.35Å; F679-V818 HydrophobicContact CE1-CG2 4.44Å; F679-V818 HydrophobicContact CE2-CB 4.3Å; F679-V818 HydrophobicContact CE2-CG2 3.85Å; F679-V818 HydrophobicContact CG-CG2 3.81Å; F679-V818 HydrophobicContact CZ-CB 4.47Å; F679-V818 HydrophobicContact CZ-CG1 4.18Å; F679-V818 HydrophobicContact CZ-CG2 4.24Å |
| 680 | I | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -72.2 | -36.9 | 178.9 | 65.6 | -173.9 | 0 | 0 | 0 | 112.2 | I668 K676 S677 V683 G684 I747 D749 L780 A782 | I668-I680 HydrophobicContact CD1-CG2 3.55Å; K676-I680 PolarHBondContact O-N 3.43Å; K676-I680 VanDerWaalsContact O-N 3.08Å; S677-I680 VanDerWaalsContact O-CG1 3.31Å; S677-I680 WeakPolarHBondContact O-CG1 3.35Å; I680-V683 PolarHBondContact O-N 3.23Å; I680-G684 PolarHBondContact O-N 3.43Å; I680-I747 HydrophobicContact CB-CG2 3.86Å; I680-I747 HydrophobicContact CD1-CG2 3.66Å; I680-I747 HydrophobicContact CG1-CG2 3.69Å; I680-D749 HydrophobicContact CD1-CB 3.77Å; I680-L780 HydrophobicContact CB-CB 4.16Å; I680-L780 HydrophobicContact CB-CD1 4.24Å; I680-L780 HydrophobicContact CG2-CB 3.77Å; I680-L780 HydrophobicContact CG2-CD1 4.35Å; I680-L780 HydrophobicContact CG2-CG 4.44Å; I680-A782 HydrophobicContact CD1-CB 3.96Å; I680-A782 HydrophobicContact CG2-CB 4.44Å |
| 681 | R | 92.8 | Very high | 91.6 | Very high | 64 Ų | 64 | 21.7 Ų | 21.7 | 24% | 0.242 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.8 | -39.1 | 178.2 | -70.2 | 171.3 | -165 | -169.1 | 11.3 | 112.1 | A310 L311 S677 T678 V683 G684 L685 | A310-R681 VanDerWaalsContact O-CD 3.27Å; A310-R681 WeakPolarHBondContact O-CD 3.41Å; L311-R681 HydrophobicContact CD2-CB 4.46Å; S677-R681 WeakPolarHBondContact O-CB 3.46Å; S677-R681 WeakPolarHBondContact O-CD 3.23Å; S677-R681 WeakPolarHBondContact O-CG 3.26Å; S677-R681 PolarHBondContact O-N 3.13Å; S677-R681 VanDerWaalsContact O-N 3.1Å; T678-R681 PolarHBondContact O-N 2.95Å; R681-V683 VanDerWaalsContact C-N 3.29Å; R681-V683 PolarHBondContact O-N 3.15Å; R681-G684 PolarHBondContact O-N 2.83Å; R681-L685 PolarHBondContact O-N 3.48Å |
| 682 | Q | 94.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.9 | -38.1 | 177.6 | 63.6 | 171.9 | 24.8 | 0 | 0 | 112.2 | A638 H640 T678 F679 L685 I686 | A638-Q682 PolarHBondContact O-OE1 3.41Å; H640-Q682 HydrophobicContact CB-CB 3.9Å; T678-Q682 WeakPolarHBondContact O-CG 3.2Å; T678-Q682 PolarHBondContact O-N 3.48Å; F679-Q682 WeakPolarHBondContact O-CG 3.4Å; Q682-L685 PolarHBondContact O-N 2.68Å; Q682-I686 WeakPolarHBondContact O-CB 3.44Å; Q682-I686 WeakPolarHBondContact O-CD1 3.49Å; Q682-I686 VanDerWaalsContact O-CG1 3.24Å; Q682-I686 WeakPolarHBondContact O-CG1 3.43Å; Q682-I686 PolarHBondContact O-N 3.08Å |
| 683 | V | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.2 | -43.7 | 179.9 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | L633 L635 I656 F658 F679 I680 R681 I686 A687 L745 L780 | L633-V683 HydrophobicContact CD2-CG1 4.14Å; L635-V683 HydrophobicContact CD1-CG1 4.23Å; L635-V683 HydrophobicContact CD1-CG2 4.48Å; I656-V683 HydrophobicContact CD1-CG2 4.24Å; I656-V683 HydrophobicContact CG2-CG2 3.88Å; F658-V683 HydrophobicContact CE2-CG1 4.45Å; F679-V683 WeakPolarHBondContact O-CG2 3.44Å; I680-V683 PolarHBondContact O-N 3.23Å; R681-V683 VanDerWaalsContact C-N 3.29Å; R681-V683 PolarHBondContact O-N 3.15Å; V683-I686 PolarHBondContact O-N 3.33Å; V683-A687 PolarHBondContact O-N 3.07Å; V683-A687 VanDerWaalsContact O-N 3.07Å; V683-L745 HydrophobicContact CG1-CD2 4.48Å; V683-L780 HydrophobicContact CB-CD1 3.79Å; V683-L780 HydrophobicContact CG1-CD1 3.91Å; V683-L780 HydrophobicContact CG2-CD1 4.14Å |
| 684 | G | 94.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | I680 R681 L688 | I680-G684 PolarHBondContact O-N 3.43Å; R681-G684 PolarHBondContact O-N 2.83Å; G684-L688 WeakPolarHBondContact O-CB 3.45Å; G684-L688 PolarHBondContact O-N 3.16Å |
| 685 | L | 94.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63.9 | -44.7 | 177 | -83.3 | 172.7 | 0 | 0 | 0 | 112.6 | L311 L313 L327 H640 P641 R681 Q682 L688 M689 | L311-L685 HydrophobicContact CB-CD2 3.94Å; L311-L685 HydrophobicContact CB-CG 4.2Å; L311-L685 HydrophobicContact CD2-CG 4.17Å; L311-L685 WeakPolarHBondContact O-CD2 3.17Å; L313-L685 HydrophobicContact CD2-CD2 3.94Å; L327-L685 HydrophobicContact CB-CD2 4.27Å; L327-L685 HydrophobicContact CD1-CD2 4.15Å; L327-L685 HydrophobicContact CD2-CD2 3.78Å; L327-L685 HydrophobicContact CG-CD2 4.28Å; H640-L685 VanDerWaalsContact NE2-CD1 3.33Å; H640-L685 WeakPolarHBondContact NE2-CD1 3.4Å; P641-L685 HydrophobicContact CG-CB 4.26Å; P641-L685 HydrophobicContact CG-CD1 4.02Å; R681-L685 PolarHBondContact O-N 3.48Å; Q682-L685 PolarHBondContact O-N 2.68Å; L685-L688 PolarHBondContact O-N 3.36Å; L685-M689 WeakPolarHBondContact O-CB 3.24Å; L685-M689 VanDerWaalsContact O-CG 3.28Å; L685-M689 WeakPolarHBondContact O-CG 3.24Å; L685-M689 PolarHBondContact O-N 2.92Å |
| 686 | I | 96.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 7.9 Ų | 7.9 | 1% | 0.005 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -63.6 | -43.1 | 179.6 | -71.4 | 162.2 | 0 | 0 | 0 | 110.8 | L635 A638 Q682 V683 L688 M689 A690 V696 P697 | L635-I686 HydrophobicContact CD1-CB 4.1Å; L635-I686 HydrophobicContact CD1-CD1 4.02Å; L635-I686 HydrophobicContact CD1-CG2 3.75Å; L635-I686 HydrophobicContact CD2-CG2 3.64Å; L635-I686 HydrophobicContact CG-CG2 4.35Å; A638-I686 HydrophobicContact CB-CD1 3.71Å; Q682-I686 WeakPolarHBondContact O-CB 3.44Å; Q682-I686 WeakPolarHBondContact O-CD1 3.49Å; Q682-I686 VanDerWaalsContact O-CG1 3.24Å; Q682-I686 WeakPolarHBondContact O-CG1 3.43Å; Q682-I686 PolarHBondContact O-N 3.08Å; V683-I686 PolarHBondContact O-N 3.33Å; I686-L688 VanDerWaalsContact C-N 3.33Å; I686-L688 PolarHBondContact O-N 2.78Å; I686-M689 PolarHBondContact O-N 3.01Å; I686-A690 WeakPolarHBondContact O-CB 3.34Å; I686-A690 PolarHBondContact O-N 3.21Å; I686-V696 HydrophobicContact CG2-CB 3.98Å; I686-V696 HydrophobicContact CG2-CG1 4.09Å; I686-V696 HydrophobicContact CG2-CG2 4.32Å; I686-P697 HydrophobicContact CD1-CG 4.25Å; I686-P697 HydrophobicContact CG1-CG 3.88Å |
| 687 | A | 95.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 7.5 Ų | 7.5 | 1% | 0.008 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -60.6 | -43.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V683 A690 Q691 I706 L745 | V683-A687 PolarHBondContact O-N 3.07Å; V683-A687 VanDerWaalsContact O-N 3.07Å; A687-A690 PolarHBondContact O-N 3.21Å; A687-Q691 PolarHBondContact O-N 3.21Å; A687-I706 HydrophobicContact CB-CD1 3.64Å; A687-L745 HydrophobicContact CB-CD2 4.23Å |
| 688 | L | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -65.3 | -45.3 | 177 | -178.3 | 144.2 | 0 | 0 | 0 | 111.7 | L303 L311 L313 L327 P350 G684 L685 I686 A690 Q691 I692 | L303-L688 HydrophobicContact CD1-CD1 3.91Å; L303-L688 HydrophobicContact CD2-CD1 4.14Å; L311-L688 HydrophobicContact CD1-CD1 4.37Å; L313-L688 HydrophobicContact CD1-CD1 3.94Å; L313-L688 HydrophobicContact CD2-CD1 3.97Å; L313-L688 HydrophobicContact CD2-CD2 3.98Å; L327-L688 HydrophobicContact CD2-CD2 3.52Å; P350-L688 HydrophobicContact CG-CD1 4.22Å; P350-L688 HydrophobicContact CG-CG 4Å; G684-L688 WeakPolarHBondContact O-CB 3.45Å; G684-L688 PolarHBondContact O-N 3.16Å; L685-L688 PolarHBondContact O-N 3.36Å; I686-L688 VanDerWaalsContact C-N 3.33Å; I686-L688 PolarHBondContact O-N 2.78Å; L688-A690 VanDerWaalsContact C-N 3.33Å; L688-A690 PolarHBondContact O-N 3.14Å; L688-Q691 PolarHBondContact O-N 3.26Å; L688-I692 HydrophobicContact CD2-CD1 3.4Å; L688-I692 VanDerWaalsContact CD2-CD1 3.4Å; L688-I692 HydrophobicContact CD2-CG1 4.25Å; L688-I692 HydrophobicContact CG-CD1 4.3Å; L688-I692 VanDerWaalsContact O-CG1 3.28Å; L688-I692 WeakPolarHBondContact O-CG1 3.3Å; L688-I692 PolarHBondContact O-N 3.33Å |
| 689 | M | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -59.8 | -40.5 | 176.6 | -75.3 | 177.3 | 62.8 | 0 | 0 | 112.7 | L327 L331 Y620 P641 L685 I686 I692 G693 C694 F695 V696 | L327-M689 HydrophobicContact CD1-CG 4.03Å; L327-M689 HydrophobicContact CD1-SD 3.81Å; L327-M689 HydrophobicContact CD2-CG 4.3Å; L331-M689 HydrophobicContact CD1-CG 4.32Å; L331-M689 HydrophobicContact CD2-CE 4.06Å; Y620-M689 HydrophobicContact CD2-CE 4.2Å; Y620-M689 HydrophobicContact CE2-CE 3.91Å; P641-M689 HydrophobicContact CB-SD 4.02Å; P641-M689 HydrophobicContact CG-SD 3.8Å; L685-M689 WeakPolarHBondContact O-CB 3.24Å; L685-M689 VanDerWaalsContact O-CG 3.28Å; L685-M689 WeakPolarHBondContact O-CG 3.24Å; L685-M689 PolarHBondContact O-N 2.92Å; I686-M689 PolarHBondContact O-N 3.01Å; M689-I692 WeakPolarHBondContact O-CB 3.44Å; M689-I692 PolarHBondContact O-N 3.3Å; M689-G693 PolarHBondContact O-N 2.86Å; M689-C694 PolarHBondContact O-N 2.99Å; M689-C694 VanDerWaalsContact O-N 3.1Å; M689-F695 VanDerWaalsContact CE-O 3.25Å; M689-F695 WeakPolarHBondContact CE-O 3.47Å; M689-V696 HydrophobicContact CB-CG1 3.95Å |
| 690 | A | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | I357 P623 I686 A687 L688 I692 G693 V696 L703 | I357-A690 VanDerWaalsContact CG2-O 3.28Å; I357-A690 WeakPolarHBondContact CG2-O 3.28Å; P623-A690 HydrophobicContact CB-CB 3.96Å; P623-A690 HydrophobicContact CG-CB 3.86Å; I686-A690 WeakPolarHBondContact O-CB 3.34Å; I686-A690 PolarHBondContact O-N 3.21Å; A687-A690 PolarHBondContact O-N 3.21Å; L688-A690 VanDerWaalsContact C-N 3.33Å; L688-A690 PolarHBondContact O-N 3.14Å; A690-I692 VanDerWaalsContact C-N 3.34Å; A690-G693 WeakPolarHBondContact O-CA 3.46Å; A690-G693 PolarHBondContact O-N 3.07Å; A690-V696 HydrophobicContact CB-CG1 4.06Å; A690-L703 HydrophobicContact CB-CD1 3.52Å; A690-L703 HydrophobicContact CB-CD2 3.76Å; A690-L703 HydrophobicContact CB-CG 4.24Å |
| 691 | Q | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -75.6 | -18.1 | 176.8 | -81.3 | -179 | -120.7 | 0 | 0 | 114.3 | M301 P350 L351 I357 A687 L688 G693 I706 | M301-Q691 HydrophobicContact CE-CB 4.26Å; M301-Q691 HydrophobicContact CE-CG 4.34Å; P350-Q691 HydrophobicContact CB-CB 3.92Å; L351-Q691 PolarHBondContact N-O 3.25Å; L351-Q691 PolarHBondContact O-NE2 3.26Å; I357-Q691 HydrophobicContact CD1-CB 4.43Å; I357-Q691 HydrophobicContact CD1-CG 3.97Å; A687-Q691 PolarHBondContact O-N 3.21Å; L688-Q691 PolarHBondContact O-N 3.26Å; Q691-G693 PolarHBondContact O-N 2.79Å; Q691-I706 PolarHBondContact NE2-O 3.41Å; Q691-I706 PolarHBondContact OE1-O 2.78Å; Q691-I706 VanDerWaalsContact OE1-O 3.12Å |
| 692 | I | 96.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -65.4 | -25.9 | 163.8 | -73.5 | 170.4 | 0 | 0 | 0 | 110.7 | W346 I347 P350 R360 F609 L688 M689 A690 C694 | W346-I692 HydrophobicContact CB-CG2 4.39Å; I347-I692 HydrophobicContact CB-CD1 4.2Å; I347-I692 HydrophobicContact CG1-CD1 3.81Å; P350-I692 HydrophobicContact CB-CG1 4.34Å; P350-I692 HydrophobicContact CG-CG1 4.37Å; R360-I692 WeakPolarHBondContact CD-O 3.47Å; R360-I692 PolarHBondContact NH1-O 2.92Å; F609-I692 HydrophobicContact CE1-CG2 4.44Å; F609-I692 HydrophobicContact CE2-CG2 3.49Å; F609-I692 VanDerWaalsContact CE2-CG2 3.49Å; F609-I692 HydrophobicContact CZ-CG2 3.36Å; L688-I692 HydrophobicContact CD2-CD1 3.4Å; L688-I692 VanDerWaalsContact CD2-CD1 3.4Å; L688-I692 HydrophobicContact CD2-CG1 4.25Å; L688-I692 HydrophobicContact CG-CD1 4.3Å; L688-I692 VanDerWaalsContact O-CG1 3.28Å; L688-I692 WeakPolarHBondContact O-CG1 3.3Å; L688-I692 PolarHBondContact O-N 3.33Å; M689-I692 WeakPolarHBondContact O-CB 3.44Å; M689-I692 PolarHBondContact O-N 3.3Å; A690-I692 VanDerWaalsContact C-N 3.34Å; I692-C694 HydrophobicContact CG2-CB 4.45Å |
| 693 | G | 96.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 34.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113 | M689 A690 Q691 | M689-G693 PolarHBondContact O-N 2.86Å; A690-G693 WeakPolarHBondContact O-CA 3.46Å; A690-G693 PolarHBondContact O-N 3.07Å; Q691-G693 PolarHBondContact O-N 2.79Å |
| 694 | C | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.06 | C | C | . | . | trans | -108.7 | 157 | 172.5 | -172.4 | 0 | 0 | 0 | 0 | 110.2 | F609 M689 I692 | F609-C694 HydrophobicContact CB-CB 4.45Å; F609-C694 HydrophobicContact CD1-CB 4.4Å; F609-C694 HydrophobicContact CD2-CB 3.82Å; F609-C694 HydrophobicContact CE2-CB 4.1Å; F609-C694 HydrophobicContact CG-CB 3.99Å; M689-C694 PolarHBondContact O-N 2.99Å; M689-C694 VanDerWaalsContact O-N 3.1Å; I692-C694 HydrophobicContact CG2-CB 4.45Å | ||
| 695 | F | 98.1 | Very high | 96.3 | Very high | 9 Ų | 9 | 14.3 Ų | 14.3 | 4% | 0.039 | 7% | 0.07 | C | C | . | . | trans | -69.6 | 155 | 170.6 | -72.6 | 14.6 | 0 | 0 | 0 | 110.1 | L361 V364 E365 V368 Y620 V621 R622 M689 | L361-F695 HydrophobicContact CD2-CD1 4.03Å; L361-F695 HydrophobicContact CD2-CE1 4.32Å; V364-F695 HydrophobicContact CB-CE1 4.37Å; V364-F695 HydrophobicContact CG1-CD1 3.92Å; V364-F695 HydrophobicContact CG1-CE1 3.97Å; V364-F695 HydrophobicContact CG1-CG 4.42Å; E365-F695 HydrophobicContact CB-CE1 4.25Å; E365-F695 HydrophobicContact CB-CZ 3.76Å; E365-F695 HydrophobicContact CG-CZ 4.02Å; V368-F695 HydrophobicContact CB-CE2 4.16Å; V368-F695 HydrophobicContact CG1-CE2 4.02Å; V368-F695 HydrophobicContact CG2-CD2 4.22Å; V368-F695 HydrophobicContact CG2-CE2 3.91Å; V368-F695 HydrophobicContact CG2-CZ 4.37Å; Y620-F695 WeakPolarHBondContact CD2-O 3.32Å; V621-F695 WeakPolarHBondContact O-CA 3.44Å; V621-F695 WeakPolarHBondContact O-CB 3.37Å; R622-F695 HydrophobicContact CB-CD1 4.08Å; R622-F695 HydrophobicContact CB-CE1 3.66Å; R622-F695 HydrophobicContact CB-CE2 4.14Å; R622-F695 HydrophobicContact CB-CZ 3.69Å; R622-F695 HydrophobicContact CG-CD1 4.47Å; R622-F695 HydrophobicContact CG-CE1 3.94Å; R622-F695 HydrophobicContact CG-CZ 4.32Å; M689-F695 VanDerWaalsContact CE-O 3.25Å; M689-F695 WeakPolarHBondContact CE-O 3.47Å | ||
| 696 | V | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | B | Isolated β-bridge | trans | -118.2 | 150 | -169.9 | -63.9 | 0 | 0 | 0 | 0 | 113.1 | Y620 V621 P623 I686 M689 A690 C698 A701 | Y620-V696 WeakPolarHBondContact CA-O 3.32Å; Y620-V696 WeakPolarHBondContact CB-O 3.23Å; V621-V696 PolarHBondContact N-O 3.37Å; V621-V696 PolarHBondContact O-N 3.07Å; P623-V696 HydrophobicContact CB-CG2 4.1Å; P623-V696 HydrophobicContact CG-CG1 4.29Å; P623-V696 HydrophobicContact CG-CG2 4.46Å; I686-V696 HydrophobicContact CG2-CB 3.98Å; I686-V696 HydrophobicContact CG2-CG1 4.09Å; I686-V696 HydrophobicContact CG2-CG2 4.32Å; M689-V696 HydrophobicContact CB-CG1 3.95Å; A690-V696 HydrophobicContact CB-CG1 4.06Å; V696-C698 HydrophobicContact CG2-CB 4.44Å; V696-C698 PolarHBondContact O-N 2.91Å; V696-A701 HydrophobicContact CG2-CB 3.47Å; V696-A701 VanDerWaalsContact CG2-CB 3.47Å |
| 697 | P | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -76.1 | 62.8 | -178.2 | 34.2 | -41.3 | 0 | 0 | 0 | 113.2 | Y620 R639 P641 I686 | Y620-P697 HydrophobicContact CD1-CB 3.83Å; Y620-P697 HydrophobicContact CE1-CB 3.54Å; R639-P697 HydrophobicContact CB-CB 4.32Å; R639-P697 PolarHBondContact N-O 3.34Å; R639-P697 PolarHBondContact NE-O 3.41Å; R639-P697 VanDerWaalsContact NE-O 3.08Å; R639-P697 VanDerWaalsContact NH2-C 3.29Å; R639-P697 VanDerWaalsContact O-CG 3.22Å; R639-P697 WeakPolarHBondContact O-CG 3.48Å; P641-P697 HydrophobicContact CB-CG 4.08Å; P641-P697 HydrophobicContact CG-CG 4.42Å; I686-P697 HydrophobicContact CD1-CG 4.25Å; I686-P697 HydrophobicContact CG1-CG 3.88Å |
| 698 | C | 97 | Very high | 96 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.007 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -132.2 | 166.3 | 177.3 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | V621 L636 V696 K700 A701 | V621-C698 WeakPolarHBondContact CG2-O 3.16Å; L636-C698 WeakPolarHBondContact O-CB 3.39Å; V696-C698 HydrophobicContact CG2-CB 4.44Å; V696-C698 PolarHBondContact O-N 2.91Å; C698-K700 WeakPolarHBondContact CB-O 3.41Å; C698-A701 HydrophobicContact CB-CB 4.22Å |
| 699 | E | 96.3 | Very high | 95.9 | Very high | 139 Ų | 139 | 15.3 Ų | 15.3 | 65% | 0.65 | 8% | 0.075 | S | C | * | . | S | Bend | trans | -78.2 | -39 | 162.6 | -177.9 | 178.8 | 173.9 | 0 | 0 | 110.8 | L636 Q637 | L636-E699 PolarHBondContact O-N 3.21Å; Q637-E699 HydrophobicContact CB-CB 3.95Å; Q637-E699 HydrophobicContact CG-CB 4.35Å; Q637-E699 WeakPolarHBondContact CG-OE2 3.48Å |
| 700 | K | 97.1 | Very high | 95.6 | Very high | 75 Ų | 75 | 15.6 Ų | 15.6 | 33% | 0.326 | 8% | 0.076 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 138.3 | 174.1 | -171.4 | -168.5 | 177 | -144.1 | 0 | 109.2 | E634 L636 C698 E702 | E634-K700 IonicContact OE2-NZ 2.82Å; E634-K700 PolarHBondContact OE2-NZ 3.21Å; L636-K700 HydrophobicContact CB-CB 4.05Å; L636-K700 HydrophobicContact CD1-CB 3.93Å; L636-K700 HydrophobicContact CD1-CD 3.91Å; L636-K700 HydrophobicContact CG-CB 4.14Å; L636-K700 PolarHBondContact N-O 3.36Å; C698-K700 WeakPolarHBondContact CB-O 3.41Å; K700-E702 WeakPolarHBondContact CE-OE1 3.31Å; K700-E702 VanDerWaalsContact NZ-CD 3.33Å; K700-E702 IonicContact NZ-OE1 3.59Å; K700-E702 PolarHBondContact NZ-OE1 3.03Å; K700-E702 IonicContact NZ-OE2 3.1Å |
| 701 | A | 97.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 15.7 Ų | 15.7 | 3% | 0.025 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 122.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | P623 R624 E634 L635 V696 C698 | P623-A701 HydrophobicContact CB-CB 4.23Å; R624-A701 PolarHBondContact N-O 2.64Å; E634-A701 CarbonylContact O-C 3.57Å; E634-A701 WeakPolarHBondContact O-CA 3.37Å; L635-A701 HydrophobicContact CD2-CB 3.79Å; V696-A701 HydrophobicContact CG2-CB 3.47Å; V696-A701 VanDerWaalsContact CG2-CB 3.47Å; C698-A701 HydrophobicContact CB-CB 4.22Å |
| 702 | E | 95.7 | Very high | 94.9 | Very high | 30 Ų | 30 | 16.7 Ų | 16.7 | 14% | 0.14 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 130.6 | 169.6 | -56.5 | -169.8 | 174.8 | 0 | 0 | 108.7 | R624 L626 L633 E634 K700 | R624-E702 HydrophobicContact CB-CG 4.25Å; R624-E702 IonicContact NH1-OE1 3.8Å; R624-E702 WeakPolarHBondContact O-CA 3.12Å; L626-E702 HydrophobicContact CD1-CB 4.34Å; L626-E702 HydrophobicContact CD2-CB 4.36Å; L626-E702 HydrophobicContact CG-CB 4.41Å; L633-E702 CarbonylContact C-O 3.53Å; L633-E702 WeakPolarHBondContact CA-O 3.27Å; E634-E702 HydrophobicContact CB-CB 4.4Å; E634-E702 PolarHBondContact N-O 3.13Å; E634-E702 PolarHBondContact O-N 3.11Å; K700-E702 WeakPolarHBondContact CE-OE1 3.31Å; K700-E702 VanDerWaalsContact NZ-CD 3.33Å; K700-E702 IonicContact NZ-OE1 3.59Å; K700-E702 PolarHBondContact NZ-OE1 3.03Å; K700-E702 IonicContact NZ-OE2 3.1Å |
| 703 | L | 94.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 143.2 | 179.6 | 62.1 | 153.5 | 0 | 0 | 0 | 112.6 | P623 R624 L625 L626 R632 L633 A690 | P623-L703 HydrophobicContact CB-CD2 3.68Å; R624-L703 PolarHBondContact O-N 3.24Å; L625-L703 WeakPolarHBondContact CA-O 3.43Å; L625-L703 HydrophobicContact CD2-CD1 4.31Å; L625-L703 HydrophobicContact CD2-CD2 4.13Å; L625-L703 HydrophobicContact CD2-CG 3.83Å; L626-L703 PolarHBondContact N-O 2.84Å; R632-L703 CarbonylContact O-C 3.47Å; R632-L703 WeakPolarHBondContact O-CA 3.38Å; L633-L703 HydrophobicContact CG-CB 4.34Å; A690-L703 HydrophobicContact CB-CD1 3.52Å; A690-L703 HydrophobicContact CB-CD2 3.76Å; A690-L703 HydrophobicContact CB-CG 4.24Å |
| 704 | S | 94.3 | Very high | 92.1 | Very high | 9 Ų | 9 | 19.8 Ų | 19.8 | 6% | 0.063 | 11% | 0.109 | C | C | . | . | trans | -78 | 151.3 | 161.5 | -59.7 | 0 | 0 | 0 | 0 | 109.9 | R631 R632 I706 | R631-S704 WeakPolarHBondContact CA-OG 3.39Å; R632-S704 PolarHBondContact N-OG 2.92Å; R632-S704 PolarHBondContact O-N 2.94Å; R632-S704 PolarHBondContact O-OG 2.9Å; S704-I706 PolarHBondContact O-N 3.13Å | ||
| 705 | V | 94 | Very high | 89.8 | Confident | 32 Ų | 32 | 23.1 Ų | 23.1 | 19% | 0.194 | 14% | 0.136 | C | C | . | . | trans | -59.9 | 135.5 | 176.3 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | M352 R631 | M352-V705 HydrophobicContact CE-CG1 3.63Å; M352-V705 HydrophobicContact SD-CG1 4.08Å; R631-V705 PolarHBondContact NH2-O 2.9Å | ||
| 706 | I | 94.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -108.8 | 128.5 | 179.9 | -52.8 | -173.3 | 0 | 0 | 0 | 108.6 | M301 M352 L633 A687 Q691 S704 S708 V709 N743 L745 | M301-I706 HydrophobicContact CE-CB 4.1Å; M301-I706 HydrophobicContact CE-CG2 4.49Å; M352-I706 VanDerWaalsContact SD-O 3.35Å; L633-I706 HydrophobicContact CD1-CD1 3.89Å; A687-I706 HydrophobicContact CB-CD1 3.64Å; Q691-I706 PolarHBondContact NE2-O 3.41Å; Q691-I706 PolarHBondContact OE1-O 2.78Å; Q691-I706 VanDerWaalsContact OE1-O 3.12Å; S704-I706 PolarHBondContact O-N 3.13Å; I706-S708 VanDerWaalsContact CG2-O 3.28Å; I706-S708 WeakPolarHBondContact CG2-O 3.44Å; I706-V709 HydrophobicContact CG2-CG2 4.39Å; I706-N743 WeakPolarHBondContact CA-O 3.41Å; I706-N743 WeakPolarHBondContact CG2-O 3.46Å; I706-L745 HydrophobicContact CD1-CB 4.05Å; I706-L745 HydrophobicContact CD1-CD2 4.11Å; I706-L745 HydrophobicContact CG2-CB 3.8Å | ||
| 707 | D | 92.8 | Very high | 84.4 | Confident | 23 Ų | 23 | 32 Ų | 32 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -81.8 | -28.7 | -176.2 | 80.2 | -36.6 | 0 | 0 | 0 | 113.7 | R302 M352 T741 N743 S744 | R302-D707 IonicContact CZ-OD2 3.88Å; R302-D707 PolarHBondContact N-O 3.31Å; R302-D707 IonicContact NH2-OD2 3.39Å; R302-D707 PolarHBondContact NH2-OD2 2.99Å; M352-D707 HydrophobicContact CE-CB 3.85Å; D707-T741 PolarHBondContact OD1-OG1 3.27Å; D707-T741 WeakPolarHBondContact OD2-CG2 3.38Å; D707-T741 PolarHBondContact OD2-OG1 3.31Å; D707-N743 HydrophobicContact CB-CB 3.94Å; D707-N743 PolarHBondContact N-O 2.92Å; D707-N743 VanDerWaalsContact N-O 3.17Å; D707-N743 VanDerWaalsContact OD1-O 3.08Å; D707-S744 WeakPolarHBondContact OD1-CA 3.43Å; D707-S744 WeakPolarHBondContact OD1-CB 3.17Å; D707-S744 PolarHBondContact OD1-N 3.48Å; D707-S744 PolarHBondContact OD1-OG 3Å |
| 708 | S | 93 | Very high | 81.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 144.7 | 177.8 | 72.2 | 0 | 0 | 0 | 0 | 112.3 | R302 I706 S744 L745 | R302-S708 CarbonylContact O-C 3.26Å; R302-S708 WeakPolarHBondContact O-CA 3.45Å; R302-S708 VanDerWaalsContact O-CB 3.31Å; R302-S708 WeakPolarHBondContact O-CB 3.44Å; I706-S708 VanDerWaalsContact CG2-O 3.28Å; I706-S708 WeakPolarHBondContact CG2-O 3.44Å; S708-S744 WeakPolarHBondContact O-CA 3.32Å; S708-S744 WeakPolarHBondContact OG-CB 3.49Å; S708-S744 PolarHBondContact OG-OG 3.11Å; S708-L745 PolarHBondContact O-N 3.03Å |
| 709 | V | 94 | Very high | 78.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 113 | 167.9 | 179.9 | 0 | 0 | 0 | 0 | 107.3 | M301 R302 L303 A307 L311 I706 L745 I747 | M301-V709 HydrophobicContact CE-CG2 4Å; M301-V709 HydrophobicContact SD-CB 4.32Å; M301-V709 HydrophobicContact SD-CG2 3.59Å; M301-V709 VanDerWaalsContact SD-CG2 3.59Å; R302-V709 PolarHBondContact O-N 3.15Å; L303-V709 HydrophobicContact CD2-CB 3.79Å; A307-V709 WeakPolarHBondContact CB-O 3.5Å; L311-V709 HydrophobicContact CD1-CG1 4.13Å; I706-V709 HydrophobicContact CG2-CG2 4.39Å; V709-L745 WeakPolarHBondContact CA-O 3.49Å; V709-L745 HydrophobicContact CG2-CB 4.33Å; V709-L745 HydrophobicContact CG2-CD2 4.37Å; V709-I747 HydrophobicContact CG1-CD1 4.17Å |
| 710 | L | 91.5 | Very high | 76.2 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125 | -174.4 | -60.3 | 175 | 0 | 0 | 0 | 108.3 | D304 I736 A740 L745 I746 I747 | D304-L710 HydrophobicContact CB-CD2 4.43Å; L710-I736 HydrophobicContact CB-CG1 4.18Å; L710-I736 HydrophobicContact CB-CG2 4.15Å; L710-I736 HydrophobicContact CD1-CG2 4.16Å; L710-A740 HydrophobicContact CD1-CB 3.76Å; L710-L745 PolarHBondContact N-O 2.84Å; L710-I746 CarbonylContact O-C 3.58Å; L710-I746 WeakPolarHBondContact O-CA 3.44Å; L710-I747 PolarHBondContact O-N 2.78Å |
| 711 | A | 89.6 | Confident | 74.1 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 127.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D304 A306 A307 A310 V713 I747 | D304-A711 PolarHBondContact OD2-N 3.49Å; A306-A711 WeakPolarHBondContact CB-O 3.32Å; A307-A711 HydrophobicContact CB-CB 3.8Å; A310-A711 HydrophobicContact CB-CB 4.01Å; A711-V713 HydrophobicContact CB-CG2 4.3Å; A711-I747 CarbonylContact C-O 3.33Å; A711-I747 VanDerWaalsContact CA-O 3.32Å; A711-I747 WeakPolarHBondContact CA-O 3.4Å; A711-I747 HydrophobicContact CB-CB 4.28Å |
| 712 | R | 87.6 | Confident | 72.1 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 8% | 0.083 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 95.8 | 162.1 | 173.1 | 62.4 | -171.1 | 87 | 19.9 | 107.3 | G714 E729 E732 I736 I747 I748 D749 | R712-G714 VanDerWaalsContact NH1-CA 3.31Å; R712-G714 VanDerWaalsContact NH1-N 3.15Å; R712-E729 IonicContact CZ-OE1 2.65Å; R712-E729 IonicContact NE-OE1 2.78Å; R712-E729 IonicContact NH2-OE1 3.63Å; R712-E729 PolarHBondContact NH2-OE1 3.48Å; R712-E732 WeakPolarHBondContact CD-OE2 3.33Å; R712-E732 IonicContact NE-OE2 3.55Å; R712-E732 IonicContact NH1-OE2 3.48Å; R712-I736 HydrophobicContact CB-CD1 3.72Å; R712-I747 PolarHBondContact N-O 2.87Å; R712-I748 HydrophobicContact CB-CG1 4.49Å; R712-I748 CarbonylContact O-C 3.08Å; R712-D749 PolarHBondContact O-N 3.05Å |
| 713 | V | 73.3 | Confident | 70.6 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | trans | -118.7 | 127.5 | 175.5 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | A310 A711 A715 I747 D749 | A310-V713 HydrophobicContact CB-CB 3.75Å; A310-V713 HydrophobicContact CB-CG1 4.37Å; A310-V713 HydrophobicContact CB-CG2 3.56Å; A711-V713 HydrophobicContact CB-CG2 4.3Å; V713-A715 PolarHBondContact O-N 2.89Å; V713-I747 HydrophobicContact CG2-CG2 4.31Å; V713-D749 HydrophobicContact CB-CB 4.35Å; V713-D749 HydrophobicContact CG1-CB 4.23Å; V713-D749 HydrophobicContact CG2-CB 4.14Å | ||
| 714 | G | 62.2 | Low | 69.5 | Low | 47 Ų | 47 | 54 Ų | 54 | 49% | 0.485 | 35% | 0.353 | S | S | . | . | trans | -44 | 106.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R712 | R712-G714 VanDerWaalsContact NH1-CA 3.31Å; R712-G714 VanDerWaalsContact NH1-N 3.15Å | ||
| 715 | A | 48.3 | Very low | 68.5 | Low | 70 Ų | 70 | 57.3 Ų | 57.3 | 58% | 0.579 | 37% | 0.373 | S | S | * | . | trans | -73.5 | 130.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | V713 | V713-A715 PolarHBondContact O-N 2.89Š| ||
| 716 | G | 46.8 | Very low | 67.9 | Low | 68 Ų | 68 | 58 Ų | 58 | 70% | 0.701 | 37% | 0.374 | S | S | * | . | trans | -50.6 | 143.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | S718 | G716-S718 PolarHBondContact O-N 3.35Š| ||
| 717 | D | 36.1 | Very low | 67.1 | Low | 128 Ų | 128 | 62.7 Ų | 62.7 | 68% | 0.684 | 40% | 0.397 | S | S | * | . | trans | -41.3 | 103.4 | -173.8 | -77.4 | -32.6 | 0 | 0 | 0 | 112.2 | Q719 T725 | D717-Q719 PolarHBondContact O-N 3.24Å; D717-T725 WeakPolarHBondContact OD1-CG2 3.44Å | ||
| 718 | S | 39.9 | Very low | 66.3 | Low | 64 Ų | 64 | 63.2 Ų | 63.2 | 45% | 0.448 | 40% | 0.403 | S | S | . | . | trans | -98 | 78.9 | 172.9 | -146.7 | 0 | 0 | 0 | 0 | 107.7 | G716 V720 K721 | G716-S718 PolarHBondContact O-N 3.35Å; S718-V720 PolarHBondContact O-N 3.14Å; S718-K721 PolarHBondContact O-N 3.1Å | ||
| 719 | Q | 37.6 | Very low | 65.8 | Low | 179 Ų | 179 | 63.6 Ų | 63.6 | 84% | 0.836 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -53.7 | -19 | 176 | -68.7 | -173.2 | -3.3 | 0 | 0 | 112.9 | D717 K721 | D717-Q719 PolarHBondContact O-N 3.24Å; Q719-K721 VanDerWaalsContact C-N 3.26Å; Q719-K721 PolarHBondContact O-N 3.01Å |
| 720 | V | 41 | Very low | 65.4 | Low | 138 Ų | 138 | 65.6 Ų | 65.6 | 84% | 0.836 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -68.7 | -17.8 | -176.3 | -168.2 | 0 | 0 | 0 | 0 | 113.3 | S718 | S718-V720 PolarHBondContact O-N 3.14Š|
| 721 | K | 52.3 | Low | 64.8 | Low | 97 Ų | 97 | 69 Ų | 69 | 42% | 0.422 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -86.2 | -5.1 | -173.4 | -74.5 | -174.4 | 178.2 | 176.7 | 0 | 116.1 | S718 Q719 V723 | S718-K721 PolarHBondContact O-N 3.1Å; Q719-K721 VanDerWaalsContact C-N 3.26Å; Q719-K721 PolarHBondContact O-N 3.01Å; K721-V723 PolarHBondContact O-N 2.99Å |
| 722 | G | 55.3 | Low | 64.4 | Low | 80 Ų | 80 | 70 Ų | 70 | 83% | 0.825 | 44% | 0.436 | S | S | * | . | S | Bend | trans | 65 | 8.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 723 | V | 63.7 | Low | 64.4 | Low | 74 Ų | 74 | 69.1 Ų | 69.1 | 45% | 0.448 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -118.4 | 141.4 | 177 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | K721 M727 | K721-V723 PolarHBondContact O-N 2.99Å; V723-M727 HydrophobicContact CG1-CB 3.76Å; V723-M727 HydrophobicContact CG1-CG 3.72Å |
| 724 | S | 71.1 | Confident | 65 | Low | 78 Ų | 78 | 69.9 Ų | 69.9 | 55% | 0.545 | 44% | 0.442 | S | S | . | . | trans | -56.8 | 140.3 | 174.3 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | F726 M727 S728 | S724-F726 PolarHBondContact O-N 3.14Å; S724-M727 PolarHBondContact O-N 3.04Å; S724-S728 PolarHBondContact O-N 3.17Å | ||
| 725 | T | 74.7 | Confident | 66 | Low | 80 Ų | 80 | 68 Ų | 68 | 49% | 0.491 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -54.2 | -42.7 | 179.8 | 49.5 | 0 | 0 | 0 | 0 | 111.7 | D717 S728 E729 | D717-T725 WeakPolarHBondContact OD1-CG2 3.44Å; T725-S728 PolarHBondContact O-N 3.18Å; T725-E729 WeakPolarHBondContact O-CB 3.46Å; T725-E729 PolarHBondContact O-N 3.14Å |
| 726 | F | 80.7 | Confident | 67.9 | Low | 46 Ų | 46 | 64.9 Ų | 64.9 | 20% | 0.202 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 176 | -177 | -110.4 | 0 | 0 | 0 | 112.9 | S724 S728 E729 M730 T755 L763 | S724-F726 PolarHBondContact O-N 3.14Å; F726-S728 PolarHBondContact O-N 2.83Å; F726-E729 WeakPolarHBondContact O-CB 3.16Å; F726-E729 PolarHBondContact O-N 3.4Å; F726-M730 HydrophobicContact CD1-CG 4.29Å; F726-M730 HydrophobicContact CE1-CG 3.86Å; F726-M730 HydrophobicContact CE1-SD 4.43Å; F726-M730 HydrophobicContact CE2-CE 3.84Å; F726-M730 HydrophobicContact CE2-CG 4.21Å; F726-M730 HydrophobicContact CE2-SD 4.2Å; F726-M730 HydrophobicContact CZ-CE 4.11Å; F726-M730 HydrophobicContact CZ-CG 3.82Å; F726-M730 HydrophobicContact CZ-SD 3.84Å; F726-M730 WeakPolarHBondContact O-CG 3.31Å; F726-M730 PolarHBondContact O-N 3.46Å; F726-T755 HydrophobicContact CD2-CG2 4.14Å; F726-T755 HydrophobicContact CE2-CG2 3.44Å; F726-T755 VanDerWaalsContact CE2-CG2 3.44Å; F726-T755 HydrophobicContact CZ-CG2 3.78Å; F726-L763 HydrophobicContact CE2-CD1 4.45Å; F726-L763 HydrophobicContact CZ-CD1 3.91Å |
| 727 | M | 78.3 | Confident | 70 | Confident | 98 Ų | 98 | 63.8 Ų | 63.8 | 48% | 0.483 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.5 | -39.3 | 177.6 | -178.3 | 61.1 | 66.6 | 0 | 0 | 111.5 | V723 S724 E729 M730 L731 | V723-M727 HydrophobicContact CG1-CB 3.76Å; V723-M727 HydrophobicContact CG1-CG 3.72Å; S724-M727 PolarHBondContact O-N 3.04Å; M727-E729 VanDerWaalsContact C-N 3.31Å; M727-E729 PolarHBondContact O-N 3.5Å; M727-M730 PolarHBondContact O-N 3.44Å; M727-L731 HydrophobicContact CG-CD1 4.18Å; M727-L731 HydrophobicContact CG-CG 4.48Å; M727-L731 WeakPolarHBondContact O-CG 3.38Å; M727-L731 PolarHBondContact O-N 2.81Å; M727-L731 HydrophobicContact SD-CG 4.34Å |
| 728 | S | 76.1 | Confident | 72.4 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 25% | 0.245 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 173 | -167.2 | 0 | 0 | 0 | 0 | 111.1 | S724 T725 F726 M730 L731 E732 | S724-S728 PolarHBondContact O-N 3.17Å; T725-S728 PolarHBondContact O-N 3.18Å; F726-S728 PolarHBondContact O-N 2.83Å; S728-M730 PolarHBondContact O-N 2.98Å; S728-L731 PolarHBondContact O-N 2.68Å; S728-E732 WeakPolarHBondContact O-CB 3.39Å; S728-E732 WeakPolarHBondContact O-CG 3.34Å; S728-E732 PolarHBondContact O-N 3.07Å |
| 729 | E | 81.9 | Confident | 74.6 | Confident | 7 Ų | 7 | 62.4 Ų | 62.4 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.1 | -42.2 | 176.5 | 164.5 | 169.6 | -122.9 | 0 | 0 | 112.5 | R712 T725 F726 M727 T733 L751 G752 | R712-E729 IonicContact CZ-OE1 2.65Å; R712-E729 IonicContact NE-OE1 2.78Å; R712-E729 IonicContact NH2-OE1 3.63Å; R712-E729 PolarHBondContact NH2-OE1 3.48Å; T725-E729 WeakPolarHBondContact O-CB 3.46Å; T725-E729 PolarHBondContact O-N 3.14Å; F726-E729 WeakPolarHBondContact O-CB 3.16Å; F726-E729 PolarHBondContact O-N 3.4Å; M727-E729 VanDerWaalsContact C-N 3.31Å; M727-E729 PolarHBondContact O-N 3.5Å; E729-T733 WeakPolarHBondContact O-CB 3.43Å; E729-T733 PolarHBondContact O-N 3.47Å; E729-T733 PolarHBondContact O-OG1 3.28Å; E729-L751 HydrophobicContact CG-CD1 3.62Å; E729-L751 VanDerWaalsContact OE1-CA 3.27Å; E729-L751 WeakPolarHBondContact OE1-CA 3.14Å; E729-G752 PolarHBondContact OE1-N 3.42Å |
| 730 | M | 85.4 | Confident | 77.2 | Confident | 42 Ų | 42 | 54.6 Ų | 54.6 | 21% | 0.207 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.8 | -41.2 | 176.3 | -67.6 | -62.5 | 97.5 | 0 | 0 | 112.6 | F726 M727 S728 T733 A734 L751 L763 | F726-M730 HydrophobicContact CD1-CG 4.29Å; F726-M730 HydrophobicContact CE1-CG 3.86Å; F726-M730 HydrophobicContact CE1-SD 4.43Å; F726-M730 HydrophobicContact CE2-CE 3.84Å; F726-M730 HydrophobicContact CE2-CG 4.21Å; F726-M730 HydrophobicContact CE2-SD 4.2Å; F726-M730 HydrophobicContact CZ-CE 4.11Å; F726-M730 HydrophobicContact CZ-CG 3.82Å; F726-M730 HydrophobicContact CZ-SD 3.84Å; F726-M730 WeakPolarHBondContact O-CG 3.31Å; F726-M730 PolarHBondContact O-N 3.46Å; M727-M730 PolarHBondContact O-N 3.44Å; S728-M730 PolarHBondContact O-N 2.98Å; M730-T733 PolarHBondContact O-N 2.99Å; M730-A734 VanDerWaalsContact O-CB 3.31Å; M730-A734 WeakPolarHBondContact O-CB 3.3Å; M730-A734 PolarHBondContact O-N 2.98Å; M730-L751 HydrophobicContact CE-CD1 4.07Å; M730-L763 HydrophobicContact CE-CD1 4.43Å; M730-L763 HydrophobicContact SD-CD1 4.01Å |
| 731 | L | 79.9 | Confident | 79.6 | Confident | 79 Ų | 79 | 50.3 Ų | 50.3 | 41% | 0.414 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 178.1 | -72.3 | 172.1 | 0 | 0 | 0 | 112.1 | M727 S728 A734 A735 | M727-L731 HydrophobicContact CG-CD1 4.18Å; M727-L731 HydrophobicContact CG-CG 4.48Å; M727-L731 WeakPolarHBondContact O-CG 3.38Å; M727-L731 PolarHBondContact O-N 2.81Å; M727-L731 HydrophobicContact SD-CG 4.34Å; S728-L731 PolarHBondContact O-N 2.68Å; L731-A734 PolarHBondContact O-N 3.26Å; L731-A735 PolarHBondContact O-N 2.99Å |
| 732 | E | 80.3 | Confident | 81.5 | Confident | 20 Ų | 20 | 50.7 Ų | 50.7 | 9% | 0.093 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.8 | -47 | 174.1 | -74.1 | 172.9 | -171 | 0 | 0 | 110.7 | R712 S728 A734 A735 I736 | R712-E732 WeakPolarHBondContact CD-OE2 3.33Å; R712-E732 IonicContact NE-OE2 3.55Å; R712-E732 IonicContact NH1-OE2 3.48Å; S728-E732 WeakPolarHBondContact O-CB 3.39Å; S728-E732 WeakPolarHBondContact O-CG 3.34Å; S728-E732 PolarHBondContact O-N 3.07Å; E732-A734 VanDerWaalsContact C-N 3.34Å; E732-A734 PolarHBondContact O-N 3.17Å; E732-A735 WeakPolarHBondContact O-CB 3.49Å; E732-A735 PolarHBondContact O-N 3.21Å; E732-A735 VanDerWaalsContact O-N 3.12Å; E732-I736 WeakPolarHBondContact O-CG1 3.44Å; E732-I736 PolarHBondContact O-N 2.98Å |
| 733 | T | 88.3 | Confident | 83.3 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65 | -39.1 | 179.9 | -49.5 | 0 | 0 | 0 | 0 | 112 | E729 M730 A735 I736 L737 L751 I767 | E729-T733 WeakPolarHBondContact O-CB 3.43Å; E729-T733 PolarHBondContact O-N 3.47Å; E729-T733 PolarHBondContact O-OG1 3.28Å; M730-T733 PolarHBondContact O-N 2.99Å; T733-A735 VanDerWaalsContact C-N 3.31Å; T733-A735 PolarHBondContact O-N 3.43Å; T733-I736 PolarHBondContact O-N 3.08Å; T733-L737 HydrophobicContact CG2-CD1 4.27Å; T733-L737 HydrophobicContact CG2-CG 4.48Å; T733-L737 WeakPolarHBondContact O-CG 3.31Å; T733-L737 PolarHBondContact O-N 3.39Å; T733-L751 HydrophobicContact CG2-CD1 4.45Å; T733-L751 HydrophobicContact CG2-CD2 4.29Å; T733-L751 WeakPolarHBondContact OG1-CD1 3.33Å; T733-I767 HydrophobicContact CG2-CD1 3.84Å; T733-I767 HydrophobicContact CG2-CG1 4.5Å; T733-I767 HydrophobicContact CG2-CG2 4.02Å |
| 734 | A | 85.6 | Confident | 84.7 | Confident | 33 Ų | 33 | 46.1 Ų | 46.1 | 27% | 0.273 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.7 | -37.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I184 M730 L731 E732 R738 | I184-A734 HydrophobicContact CD1-CB 4.26Å; M730-A734 VanDerWaalsContact O-CB 3.31Å; M730-A734 WeakPolarHBondContact O-CB 3.3Å; M730-A734 PolarHBondContact O-N 2.98Å; L731-A734 PolarHBondContact O-N 3.26Å; E732-A734 VanDerWaalsContact C-N 3.34Å; E732-A734 PolarHBondContact O-N 3.17Å; A734-R738 WeakPolarHBondContact O-CG 3.18Å; A734-R738 PolarHBondContact O-N 2.92Å |
| 735 | A | 82.6 | Confident | 85.9 | Confident | 8 Ų | 8 | 42.4 Ų | 42.4 | 7% | 0.066 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.7 | -44 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I184 L731 E732 T733 R738 S739 | I184-A735 HydrophobicContact CG2-CB 4.08Å; L731-A735 PolarHBondContact O-N 2.99Å; E732-A735 WeakPolarHBondContact O-CB 3.49Å; E732-A735 PolarHBondContact O-N 3.21Å; E732-A735 VanDerWaalsContact O-N 3.12Å; T733-A735 VanDerWaalsContact C-N 3.31Å; T733-A735 PolarHBondContact O-N 3.43Å; A735-R738 PolarHBondContact O-N 3.23Å; A735-S739 VanDerWaalsContact O-CB 3.25Å; A735-S739 WeakPolarHBondContact O-CB 3.28Å; A735-S739 PolarHBondContact O-N 3.08Å; A735-S739 PolarHBondContact O-OG 3.45Å |
| 736 | I | 89.2 | Confident | 86.9 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.1 | -52.3 | 177 | -65 | 173.5 | 0 | 0 | 0 | 110.4 | L710 R712 E732 T733 R738 S739 A740 I746 | L710-I736 HydrophobicContact CB-CG1 4.18Å; L710-I736 HydrophobicContact CB-CG2 4.15Å; L710-I736 HydrophobicContact CD1-CG2 4.16Å; R712-I736 HydrophobicContact CB-CD1 3.72Å; E732-I736 WeakPolarHBondContact O-CG1 3.44Å; E732-I736 PolarHBondContact O-N 2.98Å; T733-I736 PolarHBondContact O-N 3.08Å; I736-R738 PolarHBondContact O-N 3.47Å; I736-S739 PolarHBondContact O-N 2.98Å; I736-S739 VanDerWaalsContact O-N 3.1Å; I736-A740 VanDerWaalsContact O-CB 3.26Å; I736-A740 WeakPolarHBondContact O-CB 3.47Å; I736-A740 PolarHBondContact O-N 2.96Å; I736-I746 HydrophobicContact CG2-CD1 3.77Å; I736-I746 HydrophobicContact CG2-CG1 4.03Å; I736-I746 HydrophobicContact CG2-CG2 3.98Å |
| 737 | L | 90.9 | Very high | 87.6 | Confident | 45 Ų | 45 | 36.5 Ų | 36.5 | 24% | 0.236 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -29 | -176.9 | -66.9 | 170.6 | 0 | 0 | 0 | 113.4 | T733 I767 I771 I775 | T733-L737 HydrophobicContact CG2-CD1 4.27Å; T733-L737 HydrophobicContact CG2-CG 4.48Å; T733-L737 WeakPolarHBondContact O-CG 3.31Å; T733-L737 PolarHBondContact O-N 3.39Å; L737-I767 HydrophobicContact CD1-CG1 4.37Å; L737-I767 HydrophobicContact CD1-CG2 4.42Å; L737-I767 HydrophobicContact CD2-CG2 4.13Å; L737-I771 HydrophobicContact CD2-CD1 4.09Å; L737-I771 HydrophobicContact CD2-CG1 3.6Å; L737-I775 HydrophobicContact CD2-CD1 4.16Å |
| 738 | R | 86.6 | Confident | 88.3 | Confident | 150 Ų | 150 | 32 Ų | 32 | 57% | 0.566 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -88.3 | -19.4 | 178.2 | -68.9 | -176.8 | -173.7 | -136.7 | 6.4 | 113.9 | A734 A735 I736 | A734-R738 WeakPolarHBondContact O-CG 3.18Å; A734-R738 PolarHBondContact O-N 2.92Å; A735-R738 PolarHBondContact O-N 3.23Å; I736-R738 PolarHBondContact O-N 3.47Å |
| 739 | S | 86.3 | Confident | 89 | Confident | 14 Ų | 14 | 30.6 Ų | 30.6 | 10% | 0.098 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -101 | -32 | -174.2 | -52.9 | 0 | 0 | 0 | 0 | 112.9 | S186 R302 A735 I736 | S186-S739 WeakPolarHBondContact CB-OG 3.3Å; S186-S739 PolarHBondContact OG-OG 3.4Å; R302-S739 PolarHBondContact NH1-O 3.12Å; R302-S739 PolarHBondContact NH2-O 3.34Å; A735-S739 VanDerWaalsContact O-CB 3.25Å; A735-S739 WeakPolarHBondContact O-CB 3.28Å; A735-S739 PolarHBondContact O-N 3.08Å; A735-S739 PolarHBondContact O-OG 3.45Å; I736-S739 PolarHBondContact O-N 2.98Å; I736-S739 VanDerWaalsContact O-N 3.1Å |
| 740 | A | 91.3 | Very high | 89.2 | Confident | 14 Ų | 14 | 32.4 Ų | 32.4 | 12% | 0.116 | 17% | 0.166 | C | C | . | . | trans | -63.1 | 138.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L710 I736 I746 I775 | L710-A740 HydrophobicContact CD1-CB 3.76Å; I736-A740 VanDerWaalsContact O-CB 3.26Å; I736-A740 WeakPolarHBondContact O-CB 3.47Å; I736-A740 PolarHBondContact O-N 2.96Å; A740-I746 HydrophobicContact CB-CD1 3.73Å; A740-I746 HydrophobicContact CB-CG1 4.26Å; A740-I775 HydrophobicContact CB-CD1 4.29Å; A740-I775 HydrophobicContact CB-CG2 4.12Å | ||
| 741 | T | 92.1 | Very high | 89.3 | Confident | 48 Ų | 48 | 30.4 Ų | 30.4 | 29% | 0.294 | 16% | 0.156 | S | C | . | . | trans | -115 | 173.2 | 170.3 | 73.1 | 0 | 0 | 0 | 0 | 108.6 | D707 N743 S744 C777 | D707-T741 PolarHBondContact OD1-OG1 3.27Å; D707-T741 WeakPolarHBondContact OD2-CG2 3.38Å; D707-T741 PolarHBondContact OD2-OG1 3.31Å; T741-N743 PolarHBondContact O-N 3.46Å; T741-N743 PolarHBondContact OG1-N 3.23Å; T741-S744 PolarHBondContact N-OG 3.45Å; T741-S744 WeakPolarHBondContact O-CB 3.39Å; T741-S744 PolarHBondContact O-N 2.84Å; T741-S744 PolarHBondContact O-OG 3.21Å; T741-S744 PolarHBondContact OG1-OG 3.08Å; T741-C777 WeakPolarHBondContact O-CB 3.42Å | ||
| 742 | E | 92 | Very high | 89.4 | Confident | 106 Ų | 106 | 26.7 Ų | 26.7 | 50% | 0.495 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -18.9 | 169.9 | 64.2 | -179.8 | 177.9 | 0 | 0 | 113.2 | R631 I775 | R631-E742 PolarHBondContact NH1-O 3.34Å; E742-I775 WeakPolarHBondContact CA-O 3.42Å |
| 743 | N | 92.2 | Very high | 89.5 | Confident | 58 Ų | 58 | 30.3 Ų | 30.3 | 31% | 0.31 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -1.6 | -178.9 | -66.6 | -37.9 | 0 | 0 | 0 | 114.5 | R631 I706 D707 T741 | R631-N743 WeakPolarHBondContact CD-OD1 3.22Å; R631-N743 PolarHBondContact NE-OD1 2.89Å; R631-N743 VanDerWaalsContact NE-OD1 3.1Å; R631-N743 PolarHBondContact NH1-O 2.91Å; R631-N743 PolarHBondContact NH2-O 3.27Å; I706-N743 WeakPolarHBondContact CA-O 3.41Å; I706-N743 WeakPolarHBondContact CG2-O 3.46Å; D707-N743 HydrophobicContact CB-CB 3.94Å; D707-N743 PolarHBondContact N-O 2.92Å; D707-N743 VanDerWaalsContact N-O 3.17Å; D707-N743 VanDerWaalsContact OD1-O 3.08Å; T741-N743 PolarHBondContact O-N 3.46Å; T741-N743 PolarHBondContact OG1-N 3.23Å |
| 744 | S | 94.2 | Very high | 89 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -90.5 | 162.4 | -170.8 | -53.3 | 0 | 0 | 0 | 0 | 113.4 | D707 S708 T741 C777 F778 | D707-S744 WeakPolarHBondContact OD1-CA 3.43Å; D707-S744 WeakPolarHBondContact OD1-CB 3.17Å; D707-S744 PolarHBondContact OD1-N 3.48Å; D707-S744 PolarHBondContact OD1-OG 3Å; S708-S744 WeakPolarHBondContact O-CA 3.32Å; S708-S744 WeakPolarHBondContact OG-CB 3.49Å; S708-S744 PolarHBondContact OG-OG 3.11Å; T741-S744 PolarHBondContact N-OG 3.45Å; T741-S744 WeakPolarHBondContact O-CB 3.39Å; T741-S744 PolarHBondContact O-N 2.84Å; T741-S744 PolarHBondContact O-OG 3.21Å; T741-S744 PolarHBondContact OG1-OG 3.08Å; S744-C777 WeakPolarHBondContact O-CB 3.37Å; S744-F778 PolarHBondContact O-N 3.42Å; S744-F778 VanDerWaalsContact O-N 3.1Å | ||
| 745 | L | 95.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 113.4 | 167.8 | 175.8 | 62.6 | 0 | 0 | 0 | 109 | V683 A687 I706 S708 V709 L710 F778 | V683-L745 HydrophobicContact CG1-CD2 4.48Å; A687-L745 HydrophobicContact CB-CD2 4.23Å; I706-L745 HydrophobicContact CD1-CB 4.05Å; I706-L745 HydrophobicContact CD1-CD2 4.11Å; I706-L745 HydrophobicContact CG2-CB 3.8Å; S708-L745 PolarHBondContact O-N 3.03Å; V709-L745 WeakPolarHBondContact CA-O 3.49Å; V709-L745 HydrophobicContact CG2-CB 4.33Å; V709-L745 HydrophobicContact CG2-CD2 4.37Å; L710-L745 PolarHBondContact N-O 2.84Å; L745-F778 CarbonylContact C-O 3.59Å; L745-F778 WeakPolarHBondContact CA-O 3.14Å; L745-F778 HydrophobicContact CD1-CB 3.83Å |
| 746 | I | 95.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 133.1 | 177.5 | -61.9 | 179.1 | 0 | 0 | 0 | 109.6 | L710 I736 A740 I748 I771 C777 F778 C779 L780 | L710-I746 CarbonylContact O-C 3.58Å; L710-I746 WeakPolarHBondContact O-CA 3.44Å; I736-I746 HydrophobicContact CG2-CD1 3.77Å; I736-I746 HydrophobicContact CG2-CG1 4.03Å; I736-I746 HydrophobicContact CG2-CG2 3.98Å; A740-I746 HydrophobicContact CB-CD1 3.73Å; A740-I746 HydrophobicContact CB-CG1 4.26Å; I746-I748 HydrophobicContact CG2-CD1 3.9Å; I746-I748 HydrophobicContact CG2-CG1 3.75Å; I746-I771 HydrophobicContact CD1-CD1 4.18Å; I746-I771 HydrophobicContact CD1-CG1 4.22Å; I746-I771 HydrophobicContact CD1-CG2 3.95Å; I746-C777 WeakPolarHBondContact CD1-SG 3.27Å; I746-F778 PolarHBondContact N-O 3.04Å; I746-C779 HydrophobicContact CB-CB 4.26Å; I746-C779 WeakPolarHBondContact O-CA 3.47Å; I746-L780 PolarHBondContact O-N 3.3Å |
| 747 | I | 94.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 117.2 | 174.6 | -62.3 | 171.4 | 0 | 0 | 0 | 108.3 | L311 I680 V709 L710 A711 R712 V713 | L311-I747 HydrophobicContact CD2-CD1 4.36Å; I680-I747 HydrophobicContact CB-CG2 3.86Å; I680-I747 HydrophobicContact CD1-CG2 3.66Å; I680-I747 HydrophobicContact CG1-CG2 3.69Å; V709-I747 HydrophobicContact CG1-CD1 4.17Å; L710-I747 PolarHBondContact O-N 2.78Å; A711-I747 CarbonylContact C-O 3.33Å; A711-I747 VanDerWaalsContact CA-O 3.32Å; A711-I747 WeakPolarHBondContact CA-O 3.4Å; A711-I747 HydrophobicContact CB-CB 4.28Å; R712-I747 PolarHBondContact N-O 2.87Å; V713-I747 HydrophobicContact CG2-CG2 4.31Å |
| 748 | I | 93.5 | Very high | 88.3 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127.8 | 177.9 | -62.4 | 170.2 | 0 | 0 | 0 | 108.6 | R712 I746 L751 I771 L780 F781 A782 | R712-I748 HydrophobicContact CB-CG1 4.49Å; R712-I748 CarbonylContact O-C 3.08Å; I746-I748 HydrophobicContact CG2-CD1 3.9Å; I746-I748 HydrophobicContact CG2-CG1 3.75Å; I748-L751 HydrophobicContact CG2-CB 3.56Å; I748-L751 HydrophobicContact CG2-CD2 4.31Å; I748-I771 HydrophobicContact CD1-CD1 3.78Å; I748-L780 PolarHBondContact N-O 2.98Å; I748-F781 HydrophobicContact CB-CB 4.46Å; I748-F781 HydrophobicContact CB-CD1 4.25Å; I748-F781 HydrophobicContact CB-CD2 4.23Å; I748-F781 HydrophobicContact CB-CG 4.06Å; I748-F781 HydrophobicContact CD1-CD2 4Å; I748-F781 HydrophobicContact CD1-CE2 4.3Å; I748-F781 HydrophobicContact CG2-CD1 3.84Å; I748-F781 HydrophobicContact CG2-CD2 4.07Å; I748-F781 HydrophobicContact CG2-CE1 3.75Å; I748-F781 HydrophobicContact CG2-CE2 4.02Å; I748-F781 HydrophobicContact CG2-CG 4.02Å; I748-F781 HydrophobicContact CG2-CZ 3.89Å; I748-F781 WeakPolarHBondContact O-CA 3.35Å; I748-A782 PolarHBondContact O-N 3.48Å |
| 749 | D | 91 | Very high | 88.3 | Confident | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 109.6 | 176.8 | -156.7 | 8.2 | 0 | 0 | 0 | 109.5 | S677 I680 R712 V713 L751 A782 | S677-D749 WeakPolarHBondContact CB-OD2 3.01Å; S677-D749 PolarHBondContact OG-OD1 3.16Å; S677-D749 PolarHBondContact OG-OD2 3.34Å; I680-D749 HydrophobicContact CD1-CB 3.77Å; R712-D749 PolarHBondContact O-N 3.05Å; V713-D749 HydrophobicContact CB-CB 4.35Å; V713-D749 HydrophobicContact CG1-CB 4.23Å; V713-D749 HydrophobicContact CG2-CB 4.14Å; D749-L751 PolarHBondContact O-N 2.97Å; D749-A782 WeakPolarHBondContact OD1-CB 3.29Å |
| 750 | E | 86.1 | Confident | 88.4 | Confident | 44 Ų | 44 | 43.3 Ų | 43.3 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 59.1 | 44.4 | 169.1 | -57.3 | -176.8 | 150.7 | 0 | 0 | 115 | R753 A782 | E750-R753 IonicContact OE1-CZ 3.87Å; E750-R753 VanDerWaalsContact OE1-CZ 3.23Å; E750-R753 IonicContact OE1-NH1 3.48Å; E750-R753 PolarHBondContact OE1-NH1 3.46Å; E750-R753 IonicContact OE1-NH2 3.83Å; E750-R753 PolarHBondContact OE1-NH2 3.33Å; E750-R753 IonicContact OE2-CZ 2.91Å; E750-R753 IonicContact OE2-NE 3.58Å; E750-R753 IonicContact OE2-NH1 3.65Å; E750-R753 PolarHBondContact OE2-NH1 2.76Å; E750-R753 IonicContact OE2-NH2 3.51Å; E750-R753 PolarHBondContact OE2-NH2 3.03Å; E750-A782 PolarHBondContact N-O 2.88Å |
| 751 | L | 87.4 | Confident | 88.3 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 137.3 | 176.3 | 175.9 | 71.6 | 0 | 0 | 0 | 112.4 | E729 M730 T733 I748 D749 I767 F781 F785 | E729-L751 HydrophobicContact CG-CD1 3.62Å; E729-L751 VanDerWaalsContact OE1-CA 3.27Å; E729-L751 WeakPolarHBondContact OE1-CA 3.14Å; M730-L751 HydrophobicContact CE-CD1 4.07Å; T733-L751 HydrophobicContact CG2-CD1 4.45Å; T733-L751 HydrophobicContact CG2-CD2 4.29Å; T733-L751 WeakPolarHBondContact OG1-CD1 3.33Å; I748-L751 HydrophobicContact CG2-CB 3.56Å; I748-L751 HydrophobicContact CG2-CD2 4.31Å; D749-L751 PolarHBondContact O-N 2.97Å; L751-I767 HydrophobicContact CD2-CB 4.48Å; L751-I767 HydrophobicContact CD2-CD1 3.84Å; L751-I767 HydrophobicContact CD2-CG2 4.22Å; L751-F781 HydrophobicContact CB-CE1 4.13Å; L751-F781 HydrophobicContact CB-CZ 3.72Å; L751-F781 HydrophobicContact CD2-CE2 4.13Å; L751-F781 HydrophobicContact CD2-CZ 4.04Å; L751-F781 HydrophobicContact CG-CZ 4.4Å; L751-F785 WeakPolarHBondContact O-CE2 3.46Å |
| 752 | G | 81.9 | Confident | 88.1 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | 17.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E729 G760 | E729-G752 PolarHBondContact OE1-N 3.42Å; G752-G760 WeakPolarHBondContact O-CA 3.3Å |
| 753 | R | 81.3 | Confident | 88.1 | Confident | 96 Ų | 96 | 42.4 Ų | 42.4 | 36% | 0.362 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -22 | 179.1 | -75.3 | -170.5 | 168.9 | -178.8 | 14.4 | 114.9 | E750 T755 H784 | E750-R753 IonicContact OE1-CZ 3.87Å; E750-R753 VanDerWaalsContact OE1-CZ 3.23Å; E750-R753 IonicContact OE1-NH1 3.48Å; E750-R753 PolarHBondContact OE1-NH1 3.46Å; E750-R753 IonicContact OE1-NH2 3.83Å; E750-R753 PolarHBondContact OE1-NH2 3.33Å; E750-R753 IonicContact OE2-CZ 2.91Å; E750-R753 IonicContact OE2-NE 3.58Å; E750-R753 IonicContact OE2-NH1 3.65Å; E750-R753 PolarHBondContact OE2-NH1 2.76Å; E750-R753 IonicContact OE2-NH2 3.51Å; E750-R753 PolarHBondContact OE2-NH2 3.03Å; R753-T755 VanDerWaalsContact C-N 3.25Å; R753-T755 PolarHBondContact O-N 3.27Å; R753-H784 WeakPolarHBondContact CG-CE1 3.48Å; R753-H784 PolarHBondContact NE-CE1 3.15Å; R753-H784 VanDerWaalsContact NE-CE1 3.27Å; R753-H784 PolarHBondContact NE-ND1 2.87Å; R753-H784 VanDerWaalsContact NE-ND1 3.12Å; R753-H784 VanDerWaalsContact NH2-CB 3.34Å; R753-H784 VanDerWaalsContact NH2-CG 3.33Å; R753-H784 PolarHBondContact NH2-ND1 2.88Å |
| 754 | G | 77.7 | Confident | 88.1 | Confident | 43 Ų | 43 | 39.7 Ų | 39.7 | 44% | 0.443 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 8.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 755 | T | 83.8 | Confident | 88.1 | Confident | 50 Ų | 50 | 41.7 Ų | 41.7 | 31% | 0.307 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -140.7 | -176 | -173.5 | -168 | 0 | 0 | 0 | 0 | 111.8 | F726 R753 D759 | F726-T755 HydrophobicContact CD2-CG2 4.14Å; F726-T755 HydrophobicContact CE2-CG2 3.44Å; F726-T755 VanDerWaalsContact CE2-CG2 3.44Å; F726-T755 HydrophobicContact CZ-CG2 3.78Å; R753-T755 VanDerWaalsContact C-N 3.25Å; R753-T755 PolarHBondContact O-N 3.27Å; T755-D759 HydrophobicContact CG2-CB 4.24Å |
| 756 | S | 84.3 | Confident | 88 | Confident | 56 Ų | 56 | 44.1 Ų | 44.1 | 39% | 0.392 | 25% | 0.245 | S | C | . | . | trans | -55.5 | 143.3 | 175.4 | 88.8 | 0 | 0 | 0 | 0 | 110.8 | Y758 D759 G760 | S756-Y758 VanDerWaalsContact C-N 3.28Å; S756-Y758 PolarHBondContact O-N 3.06Å; S756-D759 PolarHBondContact O-N 3.48Å; S756-D759 VanDerWaalsContact OG-CB 3.24Å; S756-D759 WeakPolarHBondContact OG-CB 3.42Å; S756-D759 PolarHBondContact OG-N 3.09Å; S756-D759 PolarHBondContact OG-OD2 3.34Å; S756-G760 PolarHBondContact O-N 2.88Å | ||
| 757 | T | 80.9 | Confident | 87.9 | Confident | 101 Ų | 101 | 45 Ų | 45 | 62% | 0.62 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -57.2 | -42.2 | -173.5 | -8.2 | 0 | 0 | 0 | 0 | 112 | F761 F785 | T757-F761 VanDerWaalsContact O-CB 3.27Å; T757-F761 WeakPolarHBondContact O-CB 3.29Å; T757-F761 PolarHBondContact O-N 2.66Å; T757-F785 HydrophobicContact CG2-CE1 4.24Å |
| 758 | Y | 84.8 | Confident | 88 | Confident | 183 Ų | 183 | 45 Ų | 45 | 72% | 0.718 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -72 | -39.9 | 179.6 | -66.2 | -64.3 | 0 | 0 | 0 | 113 | S756 G762 | S756-Y758 VanDerWaalsContact C-N 3.28Å; S756-Y758 PolarHBondContact O-N 3.06Å; Y758-G762 PolarHBondContact O-N 2.96Å |
| 759 | D | 87.7 | Confident | 88 | Confident | 98 Ų | 98 | 49.2 Ų | 49.2 | 52% | 0.524 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.9 | -41.7 | 175.7 | -64.1 | -34.3 | 0 | 0 | 0 | 110.9 | T755 S756 G762 L763 | T755-D759 HydrophobicContact CG2-CB 4.24Å; S756-D759 PolarHBondContact O-N 3.48Å; S756-D759 VanDerWaalsContact OG-CB 3.24Å; S756-D759 WeakPolarHBondContact OG-CB 3.42Å; S756-D759 PolarHBondContact OG-N 3.09Å; S756-D759 PolarHBondContact OG-OD2 3.34Å; D759-G762 PolarHBondContact O-N 3.34Å; D759-L763 WeakPolarHBondContact O-CB 3.38Å; D759-L763 VanDerWaalsContact O-CG 3.3Å; D759-L763 WeakPolarHBondContact O-CG 3.31Å; D759-L763 PolarHBondContact O-N 2.91Å |
| 760 | G | 87.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61 | -46.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G752 S756 A764 | G752-G760 WeakPolarHBondContact O-CA 3.3Å; S756-G760 PolarHBondContact O-N 2.88Å; G760-A764 WeakPolarHBondContact O-CB 3.39Å; G760-A764 PolarHBondContact O-N 3.28Å |
| 761 | F | 88.9 | Confident | 88.6 | Confident | 51 Ų | 51 | 50 Ų | 50 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.1 | -49.2 | 172.9 | 169.1 | -108.3 | 0 | 0 | 0 | 112.1 | T757 L763 A764 W765 F785 E787 L788 | T757-F761 VanDerWaalsContact O-CB 3.27Å; T757-F761 WeakPolarHBondContact O-CB 3.29Å; T757-F761 PolarHBondContact O-N 2.66Å; F761-L763 VanDerWaalsContact C-N 3.3Å; F761-L763 PolarHBondContact O-N 3.45Å; F761-A764 PolarHBondContact O-N 3.43Å; F761-A764 VanDerWaalsContact O-N 3.15Å; F761-W765 AromaticContact CE2-CE3 3.83Å; F761-W765 HydrophobicContact CE2-CE3 3.83Å; F761-W765 HydrophobicContact CZ-CD2 4.35Å; F761-W765 AromaticContact CZ-CE3 3.54Å; F761-W765 HydrophobicContact CZ-CE3 3.54Å; F761-W765 HydrophobicContact CZ-CZ3 4.12Å; F761-W765 WeakPolarHBondContact O-CB 3.33Å; F761-W765 PolarHBondContact O-N 2.84Å; F761-F785 HydrophobicContact CB-CD1 4.28Å; F761-F785 HydrophobicContact CB-CE1 4.32Å; F761-F785 HydrophobicContact CB-CG 4.49Å; F761-F785 HydrophobicContact CD2-CB 4.13Å; F761-F785 HydrophobicContact CD2-CG 4.3Å; F761-E787 HydrophobicContact CD2-CB 4.08Å; F761-E787 HydrophobicContact CE2-CB 3.49Å; F761-E787 VanDerWaalsContact CE2-CB 3.49Å; F761-E787 HydrophobicContact CZ-CB 3.78Å; F761-L788 HydrophobicContact CE2-CB 4.33Å |
| 762 | G | 89.3 | Confident | 88.8 | Confident | 36 Ų | 36 | 50.2 Ų | 50.2 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.3 | -40.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y758 D759 A766 | Y758-G762 PolarHBondContact O-N 2.96Å; D759-G762 PolarHBondContact O-N 3.34Å; G762-A766 WeakPolarHBondContact O-CB 3.44Å; G762-A766 PolarHBondContact O-N 2.94Å |
| 763 | L | 91.2 | Very high | 89.2 | Confident | 62 Ų | 62 | 53.4 Ų | 53.4 | 33% | 0.325 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.1 | -48.1 | 173.1 | -73 | 169.8 | 0 | 0 | 0 | 111.7 | F726 M730 D759 F761 W765 A766 I767 | F726-L763 HydrophobicContact CE2-CD1 4.45Å; F726-L763 HydrophobicContact CZ-CD1 3.91Å; M730-L763 HydrophobicContact CE-CD1 4.43Å; M730-L763 HydrophobicContact SD-CD1 4.01Å; D759-L763 WeakPolarHBondContact O-CB 3.38Å; D759-L763 VanDerWaalsContact O-CG 3.3Å; D759-L763 WeakPolarHBondContact O-CG 3.31Å; D759-L763 PolarHBondContact O-N 2.91Å; F761-L763 VanDerWaalsContact C-N 3.3Å; F761-L763 PolarHBondContact O-N 3.45Å; L763-W765 VanDerWaalsContact C-N 3.27Å; L763-W765 PolarHBondContact O-N 3.27Å; L763-A766 PolarHBondContact O-N 3.11Å; L763-I767 HydrophobicContact CB-CD1 4.34Å; L763-I767 VanDerWaalsContact O-CB 3.29Å; L763-I767 WeakPolarHBondContact O-CB 3.12Å; L763-I767 VanDerWaalsContact O-CD1 3.3Å; L763-I767 WeakPolarHBondContact O-CD1 3.44Å; L763-I767 WeakPolarHBondContact O-CG1 3.32Å; L763-I767 PolarHBondContact O-N 3.44Å |
| 764 | A | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.1 | -41.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G760 F761 S768 F781 F785 | G760-A764 WeakPolarHBondContact O-CB 3.39Å; G760-A764 PolarHBondContact O-N 3.28Å; F761-A764 PolarHBondContact O-N 3.43Å; F761-A764 VanDerWaalsContact O-N 3.15Å; A764-S768 VanDerWaalsContact O-CB 3.26Å; A764-S768 WeakPolarHBondContact O-CB 3.48Å; A764-S768 PolarHBondContact O-N 2.86Å; A764-S768 PolarHBondContact O-OG 2.85Å; A764-F781 HydrophobicContact CB-CE2 4.36Å; A764-F781 HydrophobicContact CB-CZ 3.89Å; A764-F785 HydrophobicContact CB-CD2 4.15Å; A764-F785 HydrophobicContact CB-CE2 4.29Å |
| 765 | W | 94.1 | Very high | 90.5 | Very high | 43 Ų | 43 | 55.6 Ų | 55.6 | 16% | 0.163 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.4 | -57.7 | 174.3 | -173.7 | -75.8 | 0 | 0 | 0 | 111.7 | F761 L763 I767 S768 E769 L788 A790 L791 | F761-W765 AromaticContact CE2-CE3 3.83Å; F761-W765 HydrophobicContact CE2-CE3 3.83Å; F761-W765 HydrophobicContact CZ-CD2 4.35Å; F761-W765 AromaticContact CZ-CE3 3.54Å; F761-W765 HydrophobicContact CZ-CE3 3.54Å; F761-W765 HydrophobicContact CZ-CZ3 4.12Å; F761-W765 WeakPolarHBondContact O-CB 3.33Å; F761-W765 PolarHBondContact O-N 2.84Å; L763-W765 VanDerWaalsContact C-N 3.27Å; L763-W765 PolarHBondContact O-N 3.27Å; W765-I767 VanDerWaalsContact C-N 3.26Å; W765-I767 PolarHBondContact O-N 3.48Å; W765-S768 PolarHBondContact O-N 2.87Å; W765-S768 VanDerWaalsContact O-N 3.13Å; W765-E769 WeakPolarHBondContact O-CB 3.46Å; W765-E769 PolarHBondContact O-N 2.9Å; W765-L788 HydrophobicContact CB-CD1 4.14Å; W765-L788 HydrophobicContact CD2-CD1 4.35Å; W765-L788 HydrophobicContact CE3-CD1 3.82Å; W765-A790 HydrophobicContact CH2-CB 4.1Å; W765-A790 HydrophobicContact CZ3-CB 4.14Å; W765-L791 HydrophobicContact CD2-CD1 4.42Å; W765-L791 HydrophobicContact CE3-CB 4.39Å; W765-L791 HydrophobicContact CH2-CB 3.87Å; W765-L791 HydrophobicContact CH2-CD1 4.23Å; W765-L791 HydrophobicContact CZ2-CB 4.17Å; W765-L791 HydrophobicContact CZ2-CD1 3.65Å; W765-L791 HydrophobicContact CZ3-CB 3.98Å |
| 766 | A | 93.4 | Very high | 90.8 | Very high | 51 Ų | 51 | 54.3 Ų | 54.3 | 42% | 0.421 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.1 | -37.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G762 L763 H770 | G762-A766 WeakPolarHBondContact O-CB 3.44Å; G762-A766 PolarHBondContact O-N 2.94Å; L763-A766 PolarHBondContact O-N 3.11Å; A766-H770 WeakPolarHBondContact O-CB 3.37Å; A766-H770 PolarHBondContact O-N 2.89Å |
| 767 | I | 94.8 | Very high | 91.3 | Very high | 18 Ų | 18 | 51.6 Ų | 51.6 | 9% | 0.092 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.3 | -43.5 | 177.6 | -67.7 | 163.4 | 0 | 0 | 0 | 110.5 | T733 L737 L751 L763 W765 E769 H770 I771 | T733-I767 HydrophobicContact CG2-CD1 3.84Å; T733-I767 HydrophobicContact CG2-CG1 4.5Å; T733-I767 HydrophobicContact CG2-CG2 4.02Å; L737-I767 HydrophobicContact CD1-CG1 4.37Å; L737-I767 HydrophobicContact CD1-CG2 4.42Å; L737-I767 HydrophobicContact CD2-CG2 4.13Å; L751-I767 HydrophobicContact CD2-CB 4.48Å; L751-I767 HydrophobicContact CD2-CD1 3.84Å; L751-I767 HydrophobicContact CD2-CG2 4.22Å; L763-I767 HydrophobicContact CB-CD1 4.34Å; L763-I767 VanDerWaalsContact O-CB 3.29Å; L763-I767 WeakPolarHBondContact O-CB 3.12Å; L763-I767 VanDerWaalsContact O-CD1 3.3Å; L763-I767 WeakPolarHBondContact O-CD1 3.44Å; L763-I767 WeakPolarHBondContact O-CG1 3.32Å; L763-I767 PolarHBondContact O-N 3.44Å; W765-I767 VanDerWaalsContact C-N 3.26Å; W765-I767 PolarHBondContact O-N 3.48Å; I767-E769 VanDerWaalsContact C-N 3.35Å; I767-E769 PolarHBondContact O-N 2.96Å; I767-H770 PolarHBondContact O-N 2.96Å; I767-I771 HydrophobicContact CG2-CD1 3.81Å; I767-I771 HydrophobicContact CG2-CG1 4.46Å; I767-I771 VanDerWaalsContact O-CG1 3.29Å; I767-I771 WeakPolarHBondContact O-CG1 2.88Å; I767-I771 PolarHBondContact O-N 2.84Å |
| 768 | S | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.7 | -42.1 | 176.7 | -60 | 0 | 0 | 0 | 0 | 111.9 | A764 W765 I771 S772 F781 L791 | A764-S768 VanDerWaalsContact O-CB 3.26Å; A764-S768 WeakPolarHBondContact O-CB 3.48Å; A764-S768 PolarHBondContact O-N 2.86Å; A764-S768 PolarHBondContact O-OG 2.85Å; W765-S768 PolarHBondContact O-N 2.87Å; W765-S768 VanDerWaalsContact O-N 3.13Å; S768-I771 PolarHBondContact O-N 3.23Å; S768-S772 WeakPolarHBondContact O-CB 3.33Å; S768-S772 PolarHBondContact O-N 2.85Å; S768-S772 PolarHBondContact O-OG 2.96Å; S768-F781 VanDerWaalsContact OG-CD2 3.29Å; S768-F781 WeakPolarHBondContact OG-CD2 3.48Å; S768-F781 VanDerWaalsContact OG-CE2 3.24Å; S768-F781 WeakPolarHBondContact OG-CE2 3.48Å; S768-L791 VanDerWaalsContact CB-CD2 3.45Å |
| 769 | E | 94.2 | Very high | 92.5 | Very high | 92 Ų | 92 | 38.1 Ų | 38.1 | 43% | 0.43 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.9 | -45.4 | 173.7 | -172.6 | -177.3 | 174 | 0 | 0 | 110.9 | W765 I767 I771 S772 S773 L791 | W765-E769 WeakPolarHBondContact O-CB 3.46Å; W765-E769 PolarHBondContact O-N 2.9Å; I767-E769 VanDerWaalsContact C-N 3.35Å; I767-E769 PolarHBondContact O-N 2.96Å; E769-I771 PolarHBondContact O-N 2.87Å; E769-S772 PolarHBondContact O-N 2.83Å; E769-S772 PolarHBondContact O-OG 2.7Å; E769-S773 VanDerWaalsContact O-CB 3.25Å; E769-S773 WeakPolarHBondContact O-CB 3.44Å; E769-S773 PolarHBondContact O-N 3.1Å; E769-S773 PolarHBondContact O-OG 2.68Å; E769-L791 HydrophobicContact CB-CD1 4.48Å |
| 770 | H | 94.7 | Very high | 93 | Very high | 68 Ų | 68 | 33.5 Ų | 33.5 | 32% | 0.315 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.5 | -45 | 178.4 | -168.7 | 87.5 | 0 | 0 | 0 | 112.9 | A766 I767 K774 I775 | A766-H770 WeakPolarHBondContact O-CB 3.37Å; A766-H770 PolarHBondContact O-N 2.89Å; I767-H770 PolarHBondContact O-N 2.96Å; H770-K774 WeakPolarHBondContact CE1-CD 3.48Å; H770-K774 VanDerWaalsContact O-CB 3.3Å; H770-K774 WeakPolarHBondContact O-CB 3.12Å; H770-K774 PolarHBondContact O-N 2.83Å; H770-I775 PolarHBondContact O-N 3.2Å |
| 771 | I | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -64.8 | -47.6 | 179.1 | -67.8 | 166.9 | 0 | 0 | 0 | 110.3 | F665 L737 I746 I748 I767 S768 E769 I775 G776 C779 | F665-I771 HydrophobicContact CD2-CB 4.39Å; F665-I771 HydrophobicContact CD2-CG2 3.96Å; F665-I771 HydrophobicContact CE2-CB 4Å; F665-I771 HydrophobicContact CE2-CG2 3.89Å; L737-I771 HydrophobicContact CD2-CD1 4.09Å; L737-I771 HydrophobicContact CD2-CG1 3.6Å; I746-I771 HydrophobicContact CD1-CD1 4.18Å; I746-I771 HydrophobicContact CD1-CG1 4.22Å; I746-I771 HydrophobicContact CD1-CG2 3.95Å; I748-I771 HydrophobicContact CD1-CD1 3.78Å; I767-I771 HydrophobicContact CG2-CD1 3.81Å; I767-I771 HydrophobicContact CG2-CG1 4.46Å; I767-I771 VanDerWaalsContact O-CG1 3.29Å; I767-I771 WeakPolarHBondContact O-CG1 2.88Å; I767-I771 PolarHBondContact O-N 2.84Å; S768-I771 PolarHBondContact O-N 3.23Å; E769-I771 PolarHBondContact O-N 2.87Å; I771-I775 HydrophobicContact CG1-CD1 4.29Å; I771-G776 PolarHBondContact O-N 2.9Å; I771-C779 HydrophobicContact CG2-CB 3.87Å |
| 772 | S | 92.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 31 Ų | 31 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -71.6 | -36.6 | -176 | 59.5 | 0 | 0 | 0 | 0 | 113.3 | S768 E769 | S768-S772 WeakPolarHBondContact O-CB 3.33Å; S768-S772 PolarHBondContact O-N 2.85Å; S768-S772 PolarHBondContact O-OG 2.96Å; E769-S772 PolarHBondContact O-N 2.83Å; E769-S772 PolarHBondContact O-OG 2.7Å |
| 773 | S | 90.1 | Very high | 93.6 | Very high | 68 Ų | 68 | 29.3 Ų | 29.3 | 48% | 0.476 | 16% | 0.158 | S | C | . | . | I | π-helix | trans | -90.9 | -46.9 | -176 | 65.4 | 0 | 0 | 0 | 0 | 114.2 | E769 | E769-S773 VanDerWaalsContact O-CB 3.25Å; E769-S773 WeakPolarHBondContact O-CB 3.44Å; E769-S773 PolarHBondContact O-N 3.1Å; E769-S773 PolarHBondContact O-OG 2.68Å |
| 774 | K | 92.2 | Very high | 93.4 | Very high | 160 Ų | 160 | 30.1 Ų | 30.1 | 70% | 0.696 | 16% | 0.16 | S | C | * | . | I | π-helix | trans | -94.2 | -39.8 | -169.6 | -158.1 | -175.8 | -172.6 | 179.5 | 0 | 112.5 | H770 | H770-K774 WeakPolarHBondContact CE1-CD 3.48Å; H770-K774 VanDerWaalsContact O-CB 3.3Å; H770-K774 WeakPolarHBondContact O-CB 3.12Å; H770-K774 PolarHBondContact O-N 2.83Å |
| 775 | I | 93.6 | Very high | 93.1 | Very high | 24 Ų | 24 | 30.4 Ų | 30.4 | 12% | 0.123 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -88 | -45.2 | -179.4 | -53.6 | 178.7 | 0 | 0 | 0 | 110.4 | L737 A740 E742 H770 I771 C777 | L737-I775 HydrophobicContact CD2-CD1 4.16Å; A740-I775 HydrophobicContact CB-CD1 4.29Å; A740-I775 HydrophobicContact CB-CG2 4.12Å; E742-I775 WeakPolarHBondContact CA-O 3.42Å; H770-I775 PolarHBondContact O-N 3.2Å; I771-I775 HydrophobicContact CG1-CD1 4.29Å; I775-C777 VanDerWaalsContact C-N 3.27Å; I775-C777 HydrophobicContact CG2-CB 3.91Å; I775-C777 PolarHBondContact O-N 2.98Å |
| 776 | G | 91 | Very high | 92.6 | Very high | 23 Ų | 23 | 32.5 Ų | 32.5 | 24% | 0.237 | 17% | 0.173 | C | C | . | . | trans | 70.8 | 18.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I771 | I771-G776 PolarHBondContact O-N 2.9Š| ||
| 777 | C | 93.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -81.5 | 173.3 | -179.1 | 73.4 | 0 | 0 | 0 | 0 | 113.3 | T741 S744 I746 I775 | T741-C777 WeakPolarHBondContact O-CB 3.42Å; S744-C777 WeakPolarHBondContact O-CB 3.37Å; I746-C777 WeakPolarHBondContact CD1-SG 3.27Å; I775-C777 VanDerWaalsContact C-N 3.27Å; I775-C777 HydrophobicContact CG2-CB 3.91Å; I775-C777 PolarHBondContact O-N 2.98Å | ||
| 778 | F | 96.1 | Very high | 92 | Very high | 1 Ų | 1 | 32 Ų | 32 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 128.1 | 172.1 | -62 | -26.9 | 0 | 0 | 0 | 110 | R631 L633 F658 Q660 S664 S744 L745 I746 | R631-F778 HydrophobicContact CB-CE2 4.39Å; R631-F778 HydrophobicContact CB-CZ 3.75Å; L633-F778 HydrophobicContact CB-CD2 4.46Å; L633-F778 HydrophobicContact CB-CE2 4.11Å; F658-F778 HydrophobicContact CB-CD1 3.74Å; F658-F778 HydrophobicContact CB-CD2 4.32Å; F658-F778 HydrophobicContact CB-CE1 3.65Å; F658-F778 HydrophobicContact CB-CE2 4.24Å; F658-F778 HydrophobicContact CB-CG 4.09Å; F658-F778 HydrophobicContact CB-CZ 3.9Å; F658-F778 HydrophobicContact CD1-CB 3.85Å; F658-F778 AromaticContact CD1-CD1 3.67Å; F658-F778 HydrophobicContact CD1-CD1 3.67Å; F658-F778 HydrophobicContact CD1-CE1 4.42Å; F658-F778 AromaticContact CD1-CG 3.84Å; F658-F778 HydrophobicContact CD1-CG 3.84Å; F658-F778 HydrophobicContact CE1-CB 3.93Å; F658-F778 HydrophobicContact CE1-CG 4.43Å; F658-F778 HydrophobicContact CG-CB 4.32Å; F658-F778 AromaticContact CG-CD1 3.95Å; F658-F778 HydrophobicContact CG-CD1 3.95Å; F658-F778 HydrophobicContact CG-CD2 4.43Å; F658-F778 HydrophobicContact CG-CE1 4.37Å; F658-F778 AromaticContact CG-CG 3.99Å; F658-F778 HydrophobicContact CG-CG 3.99Å; F658-F778 HydrophobicContact CZ-CB 4.47Å; Q660-F778 HydrophobicContact CB-CE1 4.5Å; S664-F778 CarbonylContact O-C 3.55Å; S664-F778 VanDerWaalsContact O-CA 3.32Å; S664-F778 WeakPolarHBondContact O-CA 3.36Å; S744-F778 PolarHBondContact O-N 3.42Å; S744-F778 VanDerWaalsContact O-N 3.1Å; L745-F778 CarbonylContact C-O 3.59Å; L745-F778 WeakPolarHBondContact CA-O 3.14Å; L745-F778 HydrophobicContact CD1-CB 3.83Å; I746-F778 PolarHBondContact N-O 3.04Å |
| 779 | C | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 135.2 | -176.8 | -173.6 | 0 | 0 | 0 | 0 | 112.4 | S664 F665 Y666 I746 I771 | S664-C779 PolarHBondContact O-N 2.94Å; F665-C779 WeakPolarHBondContact CA-O 3.33Å; F665-C779 HydrophobicContact CD2-CB 3.46Å; F665-C779 VanDerWaalsContact CD2-CB 3.46Å; F665-C779 HydrophobicContact CE2-CB 3.77Å; F665-C779 WeakPolarHBondContact CE2-SG 3.41Å; F665-C779 HydrophobicContact CG-CB 4.11Å; Y666-C779 PolarHBondContact N-O 3.38Å; I746-C779 HydrophobicContact CB-CB 4.26Å; I746-C779 WeakPolarHBondContact O-CA 3.47Å; I771-C779 HydrophobicContact CG2-CB 3.87Å |
| 780 | L | 96.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 117.8 | 170.6 | -68.1 | 163 | 0 | 0 | 0 | 108.6 | I656 F658 Y666 I668 F679 I680 V683 I746 I748 | I656-L780 HydrophobicContact CD1-CD2 3.59Å; F658-L780 HydrophobicContact CE2-CD2 4.48Å; F658-L780 HydrophobicContact CZ-CD1 4.38Å; F658-L780 HydrophobicContact CZ-CD2 3.82Å; F658-L780 HydrophobicContact CZ-CG 3.87Å; Y666-L780 HydrophobicContact CD2-CD2 4.28Å; I668-L780 HydrophobicContact CD1-CD2 3.83Å; F679-L780 HydrophobicContact CE1-CD2 4.43Å; I680-L780 HydrophobicContact CB-CB 4.16Å; I680-L780 HydrophobicContact CB-CD1 4.24Å; I680-L780 HydrophobicContact CG2-CB 3.77Å; I680-L780 HydrophobicContact CG2-CD1 4.35Å; I680-L780 HydrophobicContact CG2-CG 4.44Å; V683-L780 HydrophobicContact CB-CD1 3.79Å; V683-L780 HydrophobicContact CG1-CD1 3.91Å; V683-L780 HydrophobicContact CG2-CD1 4.14Å; I746-L780 PolarHBondContact O-N 3.3Å; I748-L780 PolarHBondContact N-O 2.98Å |
| 781 | F | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 101.4 | 177.9 | -163 | -36.6 | 0 | 0 | 0 | 109.4 | F665 Y666 I668 I748 L751 A764 S768 L788 | F665-F781 HydrophobicContact CE1-CB 3.94Å; F665-F781 HydrophobicContact CZ-CB 3.95Å; F665-F781 AromaticContact CZ-CD2 3.91Å; F665-F781 HydrophobicContact CZ-CD2 3.91Å; F665-F781 HydrophobicContact CZ-CG 4.43Å; Y666-F781 PolarHBondContact O-N 3.01Å; I668-F781 PolarHBondContact N-O 3.12Å; I748-F781 HydrophobicContact CB-CB 4.46Å; I748-F781 HydrophobicContact CB-CD1 4.25Å; I748-F781 HydrophobicContact CB-CD2 4.23Å; I748-F781 HydrophobicContact CB-CG 4.06Å; I748-F781 HydrophobicContact CD1-CD2 4Å; I748-F781 HydrophobicContact CD1-CE2 4.3Å; I748-F781 HydrophobicContact CG2-CD1 3.84Å; I748-F781 HydrophobicContact CG2-CD2 4.07Å; I748-F781 HydrophobicContact CG2-CE1 3.75Å; I748-F781 HydrophobicContact CG2-CE2 4.02Å; I748-F781 HydrophobicContact CG2-CG 4.02Å; I748-F781 HydrophobicContact CG2-CZ 3.89Å; I748-F781 WeakPolarHBondContact O-CA 3.35Å; L751-F781 HydrophobicContact CB-CE1 4.13Å; L751-F781 HydrophobicContact CB-CZ 3.72Å; L751-F781 HydrophobicContact CD2-CE2 4.13Å; L751-F781 HydrophobicContact CD2-CZ 4.04Å; L751-F781 HydrophobicContact CG-CZ 4.4Å; A764-F781 HydrophobicContact CB-CE2 4.36Å; A764-F781 HydrophobicContact CB-CZ 3.89Å; S768-F781 VanDerWaalsContact OG-CD2 3.29Å; S768-F781 WeakPolarHBondContact OG-CD2 3.48Å; S768-F781 VanDerWaalsContact OG-CE2 3.24Å; S768-F781 WeakPolarHBondContact OG-CE2 3.48Å; F781-L788 HydrophobicContact CD2-CD2 4.43Å; F781-L788 HydrophobicContact CE1-CD2 4.39Å; F781-L788 HydrophobicContact CE2-CD2 4.2Å; F781-L788 HydrophobicContact CZ-CD2 4.16Å |
| 782 | A | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 121.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | I668 K676 I680 I748 D749 E750 | I668-A782 WeakPolarHBondContact O-CA 3.5Å; K676-A782 HydrophobicContact CB-CB 4.03Å; I680-A782 HydrophobicContact CD1-CB 3.96Å; I680-A782 HydrophobicContact CG2-CB 4.44Å; I748-A782 PolarHBondContact O-N 3.48Å; D749-A782 WeakPolarHBondContact OD1-CB 3.29Å; E750-A782 PolarHBondContact N-O 2.88Å |
| 783 | T | 90.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -136 | 162.1 | -176.2 | -167.6 | 0 | 0 | 0 | 0 | 112.4 | I667 I668 T669 F785 L788 | I667-T783 HydrophobicContact CG2-CG2 3.8Å; I668-T783 PolarHBondContact O-N 2.64Å; T669-T783 HydrophobicContact CG2-CG2 4.05Å; T783-F785 WeakPolarHBondContact CG2-O 3.29Å; T783-F785 PolarHBondContact OG1-N 3.16Å; T783-L788 HydrophobicContact CG2-CB 4.48Å; T783-L788 HydrophobicContact CG2-CD2 4.09Å | ||
| 784 | H | 85.7 | Confident | 90.7 | Very high | 78 Ų | 78 | 34.3 Ų | 34.3 | 36% | 0.361 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -106.2 | -11.8 | 167.8 | 62.7 | -58.7 | 0 | 0 | 0 | 112.3 | R753 H786 | R753-H784 WeakPolarHBondContact CG-CE1 3.48Å; R753-H784 PolarHBondContact NE-CE1 3.15Å; R753-H784 VanDerWaalsContact NE-CE1 3.27Å; R753-H784 PolarHBondContact NE-ND1 2.87Å; R753-H784 VanDerWaalsContact NE-ND1 3.12Å; R753-H784 VanDerWaalsContact NH2-CB 3.34Å; R753-H784 VanDerWaalsContact NH2-CG 3.33Å; R753-H784 PolarHBondContact NH2-ND1 2.88Å; H784-H786 PolarHBondContact O-N 2.9Å; H784-H786 VanDerWaalsContact O-N 3.16Å |
| 785 | F | 87.1 | Confident | 90.5 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | trans | -74.4 | 102.3 | 173.7 | -60.6 | -55.8 | 0 | 0 | 0 | 108.9 | L751 T757 F761 A764 T783 E787 L788 | L751-F785 WeakPolarHBondContact O-CE2 3.46Å; T757-F785 HydrophobicContact CG2-CE1 4.24Å; F761-F785 HydrophobicContact CB-CD1 4.28Å; F761-F785 HydrophobicContact CB-CE1 4.32Å; F761-F785 HydrophobicContact CB-CG 4.49Å; F761-F785 HydrophobicContact CD2-CB 4.13Å; F761-F785 HydrophobicContact CD2-CG 4.3Å; A764-F785 HydrophobicContact CB-CD2 4.15Å; A764-F785 HydrophobicContact CB-CE2 4.29Å; T783-F785 WeakPolarHBondContact CG2-O 3.29Å; T783-F785 PolarHBondContact OG1-N 3.16Å; F785-E787 WeakPolarHBondContact CA-OE2 3.32Å; F785-E787 PolarHBondContact O-N 2.83Å; F785-L788 HydrophobicContact CB-CB 4.19Å; F785-L788 WeakPolarHBondContact O-CB 3.2Å; F785-L788 PolarHBondContact O-N 3.31Å | ||
| 786 | H | 84.2 | Confident | 90.3 | Very high | 87 Ų | 87 | 32.7 Ų | 32.7 | 40% | 0.403 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -66.1 | -33.3 | 176.7 | -175.3 | 96.3 | 0 | 0 | 0 | 110.7 | H784 L788 T789 V822 C823 | H784-H786 PolarHBondContact O-N 2.9Å; H784-H786 VanDerWaalsContact O-N 3.16Å; H786-L788 PolarHBondContact O-N 3.34Å; H786-L788 VanDerWaalsContact O-N 3.15Å; H786-T789 VanDerWaalsContact O-CB 3.29Å; H786-T789 WeakPolarHBondContact O-CB 3.28Å; H786-T789 VanDerWaalsContact O-CG2 3.25Å; H786-T789 WeakPolarHBondContact O-CG2 3.43Å; H786-T789 PolarHBondContact O-N 3.28Å; H786-T789 PolarHBondContact O-OG1 3.38Å; H786-V822 WeakPolarHBondContact CE1-CG1 3.35Å; H786-C823 PolarHBondContact CE1-O 2.97Å; H786-C823 VanDerWaalsContact CE1-O 3.28Å |
| 787 | E | 84.4 | Confident | 90.3 | Very high | 60 Ų | 60 | 32 Ų | 32 | 28% | 0.28 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -58.4 | -28.8 | 178.3 | -51.8 | 91.5 | 151.1 | 0 | 0 | 112 | F761 F785 T789 A790 | F761-E787 HydrophobicContact CD2-CB 4.08Å; F761-E787 HydrophobicContact CE2-CB 3.49Å; F761-E787 VanDerWaalsContact CE2-CB 3.49Å; F761-E787 HydrophobicContact CZ-CB 3.78Å; F785-E787 WeakPolarHBondContact CA-OE2 3.32Å; F785-E787 PolarHBondContact O-N 2.83Å; E787-T789 PolarHBondContact O-N 3.11Å; E787-A790 WeakPolarHBondContact O-CB 3.21Å; E787-A790 PolarHBondContact O-N 3.41Å |
| 788 | L | 89.7 | Confident | 90.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -64.8 | -24.4 | 178.9 | -169.9 | 61.6 | 0 | 0 | 0 | 111.9 | I667 F761 W765 F781 T783 F785 H786 A790 L791 | I667-L788 HydrophobicContact CD1-CG 4.05Å; I667-L788 VanDerWaalsContact CD1-O 3.26Å; I667-L788 WeakPolarHBondContact CD1-O 3.3Å; F761-L788 HydrophobicContact CE2-CB 4.33Å; W765-L788 HydrophobicContact CB-CD1 4.14Å; W765-L788 HydrophobicContact CD2-CD1 4.35Å; W765-L788 HydrophobicContact CE3-CD1 3.82Å; F781-L788 HydrophobicContact CD2-CD2 4.43Å; F781-L788 HydrophobicContact CE1-CD2 4.39Å; F781-L788 HydrophobicContact CE2-CD2 4.2Å; F781-L788 HydrophobicContact CZ-CD2 4.16Å; T783-L788 HydrophobicContact CG2-CB 4.48Å; T783-L788 HydrophobicContact CG2-CD2 4.09Å; F785-L788 HydrophobicContact CB-CB 4.19Å; F785-L788 WeakPolarHBondContact O-CB 3.2Å; F785-L788 PolarHBondContact O-N 3.31Å; H786-L788 PolarHBondContact O-N 3.34Å; H786-L788 VanDerWaalsContact O-N 3.15Å; L788-A790 PolarHBondContact O-N 3.2Å; L788-A790 VanDerWaalsContact O-N 3.17Å; L788-L791 HydrophobicContact CD1-CD2 4.41Å; L788-L791 WeakPolarHBondContact O-CB 3.28Å; L788-L791 PolarHBondContact O-N 3.35Å |
| 789 | T | 89.9 | Confident | 90.3 | Very high | 16 Ų | 16 | 34.2 Ų | 34.2 | 10% | 0.098 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -62.9 | -22.1 | 179.3 | 65.7 | 0 | 0 | 0 | 0 | 113.1 | I667 T669 H786 E787 L791 A792 N800 V822 | I667-T789 HydrophobicContact CG2-CG2 4.21Å; T669-T789 HydrophobicContact CG2-CG2 3.64Å; H786-T789 VanDerWaalsContact O-CB 3.29Å; H786-T789 WeakPolarHBondContact O-CB 3.28Å; H786-T789 VanDerWaalsContact O-CG2 3.25Å; H786-T789 WeakPolarHBondContact O-CG2 3.43Å; H786-T789 PolarHBondContact O-N 3.28Å; H786-T789 PolarHBondContact O-OG1 3.38Å; E787-T789 PolarHBondContact O-N 3.11Å; T789-L791 PolarHBondContact O-N 3.31Å; T789-A792 WeakPolarHBondContact O-CB 3.47Å; T789-A792 PolarHBondContact O-N 2.99Å; T789-N800 WeakPolarHBondContact CA-OD1 3.47Å; T789-N800 PolarHBondContact O-ND2 2.94Å; T789-V822 HydrophobicContact CG2-CG1 3.89Å; T789-V822 HydrophobicContact CG2-CG2 3.94Å |
| 790 | A | 89 | Confident | 90.2 | Very high | 42 Ų | 42 | 35.5 Ų | 35.5 | 35% | 0.347 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -64 | -20.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | W765 E787 L788 A792 A793 | W765-A790 HydrophobicContact CH2-CB 4.1Å; W765-A790 HydrophobicContact CZ3-CB 4.14Å; E787-A790 WeakPolarHBondContact O-CB 3.21Å; E787-A790 PolarHBondContact O-N 3.41Å; L788-A790 PolarHBondContact O-N 3.2Å; L788-A790 VanDerWaalsContact O-N 3.17Å; A790-A792 PolarHBondContact O-N 2.82Å; A790-A793 WeakPolarHBondContact O-CB 3.48Å; A790-A793 PolarHBondContact O-N 3.32Å |
| 791 | L | 90.9 | Very high | 90.2 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.5 | -30.1 | 176.8 | -175.6 | 64 | 0 | 0 | 0 | 112.1 | I667 W765 S768 E769 L788 T789 A793 Q794 Q795 V798 | I667-L791 HydrophobicContact CD1-CB 4.12Å; I667-L791 HydrophobicContact CD1-CD2 4.45Å; W765-L791 HydrophobicContact CD2-CD1 4.42Å; W765-L791 HydrophobicContact CE3-CB 4.39Å; W765-L791 HydrophobicContact CH2-CB 3.87Å; W765-L791 HydrophobicContact CH2-CD1 4.23Å; W765-L791 HydrophobicContact CZ2-CB 4.17Å; W765-L791 HydrophobicContact CZ2-CD1 3.65Å; W765-L791 HydrophobicContact CZ3-CB 3.98Å; S768-L791 VanDerWaalsContact CB-CD2 3.45Å; E769-L791 HydrophobicContact CB-CD1 4.48Å; L788-L791 HydrophobicContact CD1-CD2 4.41Å; L788-L791 WeakPolarHBondContact O-CB 3.28Å; L788-L791 PolarHBondContact O-N 3.35Å; T789-L791 PolarHBondContact O-N 3.31Å; L791-A793 PolarHBondContact O-N 3.34Å; L791-Q794 PolarHBondContact O-N 2.89Å; L791-Q794 VanDerWaalsContact O-N 3.1Å; L791-Q795 PolarHBondContact O-N 3.17Å; L791-V798 HydrophobicContact CD2-CG1 4.49Å; L791-V798 HydrophobicContact CD2-CG2 4.41Å; L791-V798 HydrophobicContact CG-CG1 4.36Å; L791-V798 HydrophobicContact CG-CG2 4.38Å |
| 792 | A | 90.6 | Very high | 90.1 | Very high | 27 Ų | 27 | 37.6 Ų | 37.6 | 22% | 0.223 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.5 | -27.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T789 A790 V798 N800 | T789-A792 WeakPolarHBondContact O-CB 3.47Å; T789-A792 PolarHBondContact O-N 2.99Å; A790-A792 PolarHBondContact O-N 2.82Å; A792-V798 HydrophobicContact CB-CG1 4.12Å; A792-V798 WeakPolarHBondContact CB-O 3.35Å; A792-N800 WeakPolarHBondContact CB-ND2 3.32Å |
| 793 | A | 86.8 | Confident | 90 | Very high | 71 Ų | 71 | 37.7 Ų | 37.7 | 59% | 0.587 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -75.1 | -29.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A790 L791 K864 | A790-A793 WeakPolarHBondContact O-CB 3.48Å; A790-A793 PolarHBondContact O-N 3.32Å; L791-A793 PolarHBondContact O-N 3.34Å; A793-K864 PolarHBondContact O-NZ 3.39Å; A793-K864 VanDerWaalsContact O-NZ 3.1Å |
| 794 | Q | 88.1 | Confident | 89.8 | Confident | 124 Ų | 124 | 38.5 Ų | 38.5 | 58% | 0.579 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -85.9 | -41.2 | -178.3 | -61.5 | -172.2 | 14.8 | 0 | 0 | 112 | L791 | L791-Q794 PolarHBondContact O-N 2.89Å; L791-Q794 VanDerWaalsContact O-N 3.1Å |
| 795 | Q | 87.8 | Confident | 89.8 | Confident | 53 Ų | 53 | 35.7 Ų | 35.7 | 25% | 0.248 | 21% | 0.208 | C | C | . | . | trans | -115 | 112.9 | -175.4 | -175.2 | 68.2 | -45.3 | 0 | 0 | 111.7 | L791 S797 V798 | L791-Q795 PolarHBondContact O-N 3.17Å; Q795-S797 WeakPolarHBondContact CG-OG 3.45Å; Q795-S797 PolarHBondContact O-N 3.25Å; Q795-S797 VanDerWaalsContact O-N 3.08Å; Q795-V798 HydrophobicContact CB-CB 4.34Å; Q795-V798 HydrophobicContact CB-CG2 3.8Å; Q795-V798 HydrophobicContact CG-CG2 3.76Å; Q795-V798 WeakPolarHBondContact O-CB 3.4Å; Q795-V798 PolarHBondContact O-N 3.46Å | ||
| 796 | P | 88.5 | Confident | 89.6 | Confident | 96 Ų | 96 | 39.5 Ų | 39.5 | 62% | 0.623 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25.8 | -175.2 | -26 | 34.5 | 0 | 0 | 0 | 115.2 | V798 | P796-V798 VanDerWaalsContact C-N 3.27Å; P796-V798 PolarHBondContact O-N 2.88Å |
| 797 | S | 90.8 | Very high | 89.1 | Confident | 8 Ų | 8 | 38.1 Ų | 38.1 | 6% | 0.056 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -11 | -179.3 | 70.5 | 0 | 0 | 0 | 0 | 113.9 | E662 S664 F665 Q795 N799 | E662-S797 WeakPolarHBondContact O-CA 3.28Å; S664-S797 PolarHBondContact N-O 2.88Å; S664-S797 VanDerWaalsContact N-O 3.15Å; S664-S797 WeakPolarHBondContact OG-CB 3.46Å; F665-S797 PolarHBondContact N-O 3.1Å; F665-S797 VanDerWaalsContact N-O 3.14Å; Q795-S797 WeakPolarHBondContact CG-OG 3.45Å; Q795-S797 PolarHBondContact O-N 3.25Å; Q795-S797 VanDerWaalsContact O-N 3.08Å; S797-N799 PolarHBondContact O-ND2 3.34Å |
| 798 | V | 94.9 | Very high | 88.7 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.024 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 128.8 | -178.1 | 177.4 | 0 | 0 | 0 | 0 | 109.6 | F665 I667 L791 A792 Q795 P796 | F665-V798 HydrophobicContact CB-CB 4.49Å; F665-V798 HydrophobicContact CB-CG2 3.92Å; F665-V798 HydrophobicContact CD1-CG1 4.01Å; F665-V798 HydrophobicContact CD1-CG2 4.18Å; F665-V798 HydrophobicContact CG-CG2 4.12Å; F665-V798 CarbonylContact O-C 3.58Å; F665-V798 WeakPolarHBondContact O-CA 3.39Å; I667-V798 HydrophobicContact CD1-CG1 3.53Å; I667-V798 HydrophobicContact CG1-CG1 4.02Å; L791-V798 HydrophobicContact CD2-CG1 4.49Å; L791-V798 HydrophobicContact CD2-CG2 4.41Å; L791-V798 HydrophobicContact CG-CG1 4.36Å; L791-V798 HydrophobicContact CG-CG2 4.38Å; A792-V798 HydrophobicContact CB-CG1 4.12Å; A792-V798 WeakPolarHBondContact CB-O 3.35Å; Q795-V798 HydrophobicContact CB-CB 4.34Å; Q795-V798 HydrophobicContact CB-CG2 3.8Å; Q795-V798 HydrophobicContact CG-CG2 3.76Å; Q795-V798 WeakPolarHBondContact O-CB 3.4Å; Q795-V798 PolarHBondContact O-N 3.46Å; P796-V798 VanDerWaalsContact C-N 3.27Å; P796-V798 PolarHBondContact O-N 2.88Å |
| 799 | N | 95.6 | Very high | 87.7 | Confident | 45 Ų | 45 | 47 Ų | 47 | 24% | 0.241 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 144.4 | -177.2 | -69 | -96.1 | 0 | 0 | 0 | 110.6 | E662 F665 Y666 I667 S797 | E662-N799 PolarHBondContact O-ND2 2.88Å; F665-N799 PolarHBondContact O-N 2.85Å; Y666-N799 VanDerWaalsContact CA-O 3.32Å; Y666-N799 WeakPolarHBondContact CA-O 3.33Å; Y666-N799 HydrophobicContact CD1-CB 3.69Å; Y666-N799 HydrophobicContact CE1-CB 3.57Å; I667-N799 PolarHBondContact N-O 3.46Å; S797-N799 PolarHBondContact O-ND2 3.34Å |
| 800 | N | 94.9 | Very high | 86.8 | Confident | 27 Ų | 27 | 53 Ų | 53 | 14% | 0.144 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 132.3 | 178.3 | -67.3 | -40.4 | 0 | 0 | 0 | 111 | I667 T789 A792 G821 V822 | I667-N800 WeakPolarHBondContact CB-OD1 3.32Å; T789-N800 WeakPolarHBondContact CA-OD1 3.47Å; T789-N800 PolarHBondContact O-ND2 2.94Å; A792-N800 WeakPolarHBondContact CB-ND2 3.32Å; N800-G821 CarbonylContact C-O 3.56Å; N800-G821 PolarHBondContact O-N 2.92Å; N800-V822 HydrophobicContact CB-CG2 3.84Å; N800-V822 WeakPolarHBondContact ND2-CG2 3.22Å |
| 801 | L | 95.6 | Very high | 86 | Confident | 19 Ų | 19 | 56.6 Ų | 56.6 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 155.4 | 166.6 | -60.2 | 176.8 | 0 | 0 | 0 | 108.7 | Y666 I667 I668 T669 F679 V818 K819 P820 G821 | Y666-L801 HydrophobicContact CD1-CD1 3.56Å; Y666-L801 HydrophobicContact CD1-CD2 4.27Å; Y666-L801 HydrophobicContact CD1-CG 3.62Å; Y666-L801 HydrophobicContact CE1-CD1 4.03Å; Y666-L801 HydrophobicContact CE1-CD2 4.26Å; Y666-L801 HydrophobicContact CE1-CG 4.11Å; Y666-L801 HydrophobicContact CG-CD1 3.87Å; Y666-L801 HydrophobicContact CG-CG 4.35Å; I667-L801 PolarHBondContact O-N 3.45Å; I667-L801 VanDerWaalsContact O-O 3.11Å; I668-L801 WeakPolarHBondContact CA-O 3.47Å; I668-L801 HydrophobicContact CG1-CB 4.3Å; T669-L801 PolarHBondContact N-O 3.43Å; T669-L801 PolarHBondContact OG1-O 2.88Å; F679-L801 HydrophobicContact CE1-CD1 4.3Å; L801-V818 HydrophobicContact CB-CG1 3.89Å; L801-V818 HydrophobicContact CD1-CG1 4.02Å; L801-V818 HydrophobicContact CD2-CG1 4.43Å; L801-V818 HydrophobicContact CG-CG1 4.33Å; L801-K819 CarbonylContact C-O 3.43Å; L801-K819 WeakPolarHBondContact CA-O 3.41Å; L801-P820 HydrophobicContact CD2-CB 4.49Å; L801-G821 CarbonylContact C-O 3.52Å |
| 802 | H | 93.1 | Very high | 85.5 | Confident | 25 Ų | 25 | 57.8 Ų | 57.8 | 12% | 0.116 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 154.2 | 169.6 | 67.8 | -81.4 | 0 | 0 | 0 | 111.8 | T669 V818 K819 P820 G821 C823 | T669-H802 CarbonylContact O-C 3.57Å; T669-H802 WeakPolarHBondContact O-CA 3.11Å; H802-V818 WeakPolarHBondContact O-CA 3.32Å; H802-K819 PolarHBondContact N-O 2.75Å; H802-K819 PolarHBondContact ND1-O 3.29Å; H802-K819 PolarHBondContact O-N 2.83Å; H802-P820 PolarHBondContact CE1-O 3.24Å; H802-G821 PolarHBondContact N-O 3.11Å; H802-G821 PolarHBondContact ND1-O 2.93Å; H802-C823 HydrophobicContact CB-CB 3.96Å |
| 803 | V | 91.5 | Very high | 85.2 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.012 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 133.5 | 170.4 | -168.7 | 0 | 0 | 0 | 0 | 109.9 | I668 T669 G674 K676 V818 | I668-V803 HydrophobicContact CG2-CG2 4.48Å; T669-V803 PolarHBondContact O-N 2.74Å; G674-V803 WeakPolarHBondContact O-CG1 3.45Å; K676-V803 HydrophobicContact CG-CG2 3.75Å; V803-V818 HydrophobicContact CG2-CG2 4.35Å |
| 804 | T | 87.8 | Confident | 85.1 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 10% | 0.098 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 141.2 | -178.2 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | L815 R817 K819 | T804-L815 PolarHBondContact O-N 2.87Å; T804-L815 VanDerWaalsContact O-N 3.17Å; T804-R817 PolarHBondContact N-O 2.99Å; T804-R817 PolarHBondContact OG1-O 3.18Å; T804-K819 HydrophobicContact CG2-CB 4.27Å; T804-K819 HydrophobicContact CG2-CD 3.74Å; T804-K819 HydrophobicContact CG2-CG 3.92Å |
| 805 | A | 85.4 | Confident | 85.1 | Confident | 19 Ų | 19 | 54.7 Ų | 54.7 | 16% | 0.157 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 151.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | P671 L812 M814 F827 | P671-A805 HydrophobicContact CG-CB 3.83Å; A805-L812 HydrophobicContact CB-CD1 3.95Å; A805-M814 HydrophobicContact CB-SD 3.84Å; A805-F827 HydrophobicContact CB-CE2 4.23Å; A805-F827 HydrophobicContact CB-CZ 4.22Å |
| 806 | L | 82.6 | Confident | 85.2 | Confident | 87 Ų | 87 | 57.4 Ų | 57.4 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 123.7 | 177.3 | -165.8 | 145.1 | 0 | 0 | 0 | 109.1 | T813 L815 | L806-T813 PolarHBondContact N-O 2.83Å; L806-T813 PolarHBondContact O-N 3.46Å; L806-L815 HydrophobicContact CB-CD1 4.35Å; L806-L815 HydrophobicContact CB-CD2 4.38Å; L806-L815 HydrophobicContact CB-CG 4.38Å |
| 807 | T | 73 | Confident | 85.4 | Confident | 57 Ų | 57 | 60.2 Ų | 60.2 | 35% | 0.35 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 125 | 177 | 42.4 | 0 | 0 | 0 | 0 | 110.2 | L812 F827 | T807-L812 HydrophobicContact CG2-CD1 3.47Å; T807-L812 VanDerWaalsContact CG2-CD1 3.47Å; T807-F827 HydrophobicContact CG2-CD1 3.44Å; T807-F827 VanDerWaalsContact CG2-CD1 3.44Å; T807-F827 HydrophobicContact CG2-CE1 3.48Å; T807-F827 VanDerWaalsContact CG2-CE1 3.48Å |
| 808 | T | 76.2 | Confident | 85.6 | Confident | 78 Ų | 78 | 61.1 Ų | 61.1 | 48% | 0.479 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 158.8 | 162.6 | -45.2 | 0 | 0 | 0 | 0 | 107.8 | N810 M811 H830 | T808-N810 PolarHBondContact O-N 3.47Å; T808-M811 PolarHBondContact N-O 3.41Å; T808-M811 PolarHBondContact O-N 3.26Å; T808-M811 VanDerWaalsContact O-O 3.08Å; T808-H830 PolarHBondContact O-CE1 3.11Å; T808-H830 PolarHBondContact O-NE2 3.05Å; T808-H830 VanDerWaalsContact O-NE2 3.16Å |
| 809 | H | 68.4 | Low | 85.5 | Confident | 168 Ų | 168 | 66.1 Ų | 66.1 | 78% | 0.778 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.6 | -34.4 | -175.6 | -79.4 | -59.8 | 0 | 0 | 0 | 114.8 | ||
| 810 | N | 71.3 | Confident | 85.3 | Confident | 143 Ų | 143 | 69 Ų | 69 | 77% | 0.765 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.5 | 13.3 | -179.6 | -69.9 | 4.6 | 0 | 0 | 0 | 114.3 | T808 L834 | T808-N810 PolarHBondContact O-N 3.47Å; N810-L834 WeakPolarHBondContact O-CD2 3.35Å |
| 811 | M | 73.5 | Confident | 85 | Confident | 117 Ų | 117 | 69.4 Ų | 69.4 | 58% | 0.576 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 134.1 | -177.5 | -165.7 | 173.8 | -74.5 | 0 | 0 | 112 | T808 | T808-M811 PolarHBondContact N-O 3.41Å; T808-M811 PolarHBondContact O-N 3.26Å; T808-M811 VanDerWaalsContact O-O 3.08Å |
| 812 | L | 80.5 | Confident | 84.5 | Confident | 28 Ų | 28 | 70.6 Ų | 70.6 | 15% | 0.147 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 109.8 | 167.3 | -179.6 | 69.9 | 0 | 0 | 0 | 107.8 | A805 T807 M814 F827 V831 L834 | A805-L812 HydrophobicContact CB-CD1 3.95Å; T807-L812 HydrophobicContact CG2-CD1 3.47Å; T807-L812 VanDerWaalsContact CG2-CD1 3.47Å; L812-M814 HydrophobicContact CD2-CE 3.5Å; L812-M814 VanDerWaalsContact CD2-CE 3.5Å; L812-M814 HydrophobicContact CG-CE 4Å; L812-F827 HydrophobicContact CD1-CD1 3.89Å; L812-F827 HydrophobicContact CD1-CE1 4.41Å; L812-F827 HydrophobicContact CD1-CG 4.29Å; L812-F827 HydrophobicContact CD2-CB 4.47Å; L812-V831 HydrophobicContact CD2-CG2 3.53Å; L812-L834 HydrophobicContact CB-CD1 3.32Å |
| 813 | T | 82.8 | Confident | 83.7 | Confident | 61 Ų | 61 | 70.1 Ų | 70.1 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 117.6 | 177.8 | -52.3 | 0 | 0 | 0 | 0 | 109.2 | L806 L815 | L806-T813 PolarHBondContact N-O 2.83Å; L806-T813 PolarHBondContact O-N 3.46Å; T813-L815 PolarHBondContact O-N 2.83Å |
| 814 | M | 85.5 | Confident | 82.4 | Confident | 30 Ų | 30 | 77.8 Ų | 77.8 | 15% | 0.148 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 124 | 173.7 | -60.2 | -58.4 | 176.4 | 0 | 0 | 109.2 | P671 N672 M673 A805 L812 Y816 | P671-M814 HydrophobicContact CB-CE 4.05Å; P671-M814 HydrophobicContact CB-SD 4.4Å; P671-M814 HydrophobicContact CG-CE 4.14Å; P671-M814 HydrophobicContact CG-SD 3.83Å; N672-M814 VanDerWaalsContact O-CE 3.25Å; N672-M814 WeakPolarHBondContact O-CE 3.46Å; M673-M814 HydrophobicContact CB-CE 4.43Å; A805-M814 HydrophobicContact CB-SD 3.84Å; L812-M814 HydrophobicContact CD2-CE 3.5Å; L812-M814 VanDerWaalsContact CD2-CE 3.5Å; L812-M814 HydrophobicContact CG-CE 4Å; M814-Y816 HydrophobicContact CB-CD1 4.19Å; M814-Y816 HydrophobicContact CB-CD2 4.28Å; M814-Y816 HydrophobicContact CB-CE1 3.75Å; M814-Y816 HydrophobicContact CB-CE2 3.85Å; M814-Y816 HydrophobicContact CB-CG 4.44Å; M814-Y816 HydrophobicContact CG-CE1 4.41Å |
| 815 | L | 88.3 | Confident | 81.4 | Confident | 66 Ų | 66 | 83 Ų | 83 | 35% | 0.346 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -12.1 | 179.2 | -60.7 | -179.9 | 0 | 0 | 0 | 112.2 | I652 T804 L806 T813 R817 | I652-L815 WeakPolarHBondContact CD1-O 3.29Å; T804-L815 PolarHBondContact O-N 2.87Å; T804-L815 VanDerWaalsContact O-N 3.17Å; L806-L815 HydrophobicContact CB-CD1 4.35Å; L806-L815 HydrophobicContact CB-CD2 4.38Å; L806-L815 HydrophobicContact CB-CG 4.38Å; T813-L815 PolarHBondContact O-N 2.83Å; L815-R817 PolarHBondContact O-N 3.31Å |
| 816 | Y | 90.2 | Very high | 80.6 | Confident | 110 Ų | 110 | 86.8 Ų | 86.8 | 43% | 0.431 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.4 | 18.1 | -178.3 | -54.1 | -71.1 | 0 | 0 | 0 | 115.1 | I652 N654 M673 G674 M814 | I652-Y816 HydrophobicContact CD1-CD2 4.33Å; N654-Y816 PolarHBondContact ND2-O 3.39Å; N654-Y816 PolarHBondContact OD1-O 3.27Å; M673-Y816 WeakPolarHBondContact O-CE1 3.38Å; G674-Y816 VanDerWaalsContact O-CD1 3.3Å; G674-Y816 WeakPolarHBondContact O-CD1 3.45Å; M814-Y816 HydrophobicContact CB-CD1 4.19Å; M814-Y816 HydrophobicContact CB-CD2 4.28Å; M814-Y816 HydrophobicContact CB-CE1 3.75Å; M814-Y816 HydrophobicContact CB-CE2 3.85Å; M814-Y816 HydrophobicContact CB-CG 4.44Å; M814-Y816 HydrophobicContact CG-CE1 4.41Å |
| 817 | R | 92.3 | Very high | 80.2 | Confident | 154 Ų | 154 | 83.8 Ų | 83.8 | 58% | 0.581 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 129.2 | 175.6 | -72.3 | -174 | 179.2 | -174.8 | -0.8 | 110.6 | I652 N654 T804 L815 | I652-R817 HydrophobicContact CG2-CG 3.82Å; N654-R817 WeakPolarHBondContact OD1-CA 3.48Å; T804-R817 PolarHBondContact N-O 2.99Å; T804-R817 PolarHBondContact OG1-O 3.18Å; L815-R817 PolarHBondContact O-N 3.31Å |
| 818 | V | 94.2 | Very high | 80.5 | Confident | 27 Ų | 27 | 83.7 Ų | 83.7 | 16% | 0.164 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 127.1 | 173.7 | -176.6 | 0 | 0 | 0 | 0 | 109 | N654 F679 L801 H802 V803 | N654-V818 HydrophobicContact CB-CG2 4.34Å; N654-V818 PolarHBondContact OD1-N 3.04Å; F679-V818 HydrophobicContact CB-CG2 4.38Å; F679-V818 HydrophobicContact CD1-CG2 4.25Å; F679-V818 HydrophobicContact CD2-CG2 3.6Å; F679-V818 HydrophobicContact CE1-CG1 4.35Å; F679-V818 HydrophobicContact CE1-CG2 4.44Å; F679-V818 HydrophobicContact CE2-CB 4.3Å; F679-V818 HydrophobicContact CE2-CG2 3.85Å; F679-V818 HydrophobicContact CG-CG2 3.81Å; F679-V818 HydrophobicContact CZ-CB 4.47Å; F679-V818 HydrophobicContact CZ-CG1 4.18Å; F679-V818 HydrophobicContact CZ-CG2 4.24Å; L801-V818 HydrophobicContact CB-CG1 3.89Å; L801-V818 HydrophobicContact CD1-CG1 4.02Å; L801-V818 HydrophobicContact CD2-CG1 4.43Å; L801-V818 HydrophobicContact CG-CG1 4.33Å; H802-V818 WeakPolarHBondContact O-CA 3.32Å; V803-V818 HydrophobicContact CG2-CG2 4.35Å |
| 819 | K | 92.8 | Very high | 80.9 | Confident | 109 Ų | 109 | 82 Ų | 82 | 47% | 0.474 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 152.8 | 177.6 | -74.2 | -167.2 | -177.1 | 178.6 | 0 | 111.1 | L801 H802 T804 | L801-K819 CarbonylContact C-O 3.43Å; L801-K819 WeakPolarHBondContact CA-O 3.41Å; H802-K819 PolarHBondContact N-O 2.75Å; H802-K819 PolarHBondContact ND1-O 3.29Å; H802-K819 PolarHBondContact O-N 2.83Å; T804-K819 HydrophobicContact CG2-CB 4.27Å; T804-K819 HydrophobicContact CG2-CD 3.74Å; T804-K819 HydrophobicContact CG2-CG 3.92Å |
| 820 | P | 92.3 | Very high | 81.4 | Confident | 107 Ų | 107 | 75.8 Ų | 75.8 | 70% | 0.695 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 153.8 | 171.3 | 30.2 | -35 | 0 | 0 | 0 | 111.2 | L801 H802 | L801-P820 HydrophobicContact CD2-CB 4.49Å; H802-P820 PolarHBondContact CE1-O 3.24Å |
| 821 | G | 88 | Confident | 81.9 | Confident | 34 Ų | 34 | 72.2 Ų | 72.2 | 35% | 0.351 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 94.7 | -174.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | N800 L801 H802 | N800-G821 CarbonylContact C-O 3.56Å; N800-G821 PolarHBondContact O-N 2.92Å; L801-G821 CarbonylContact C-O 3.52Å; H802-G821 PolarHBondContact N-O 3.11Å; H802-G821 PolarHBondContact ND1-O 2.93Å |
| 822 | V | 84.7 | Confident | 82.4 | Confident | 44 Ų | 44 | 67.7 Ų | 67.7 | 27% | 0.267 | 38% | 0.375 | S | S | . | . | trans | -98.2 | 153.3 | -177.3 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | H786 T789 N800 | H786-V822 WeakPolarHBondContact CE1-CG1 3.35Å; T789-V822 HydrophobicContact CG2-CG1 3.89Å; T789-V822 HydrophobicContact CG2-CG2 3.94Å; N800-V822 HydrophobicContact CB-CG2 3.84Å; N800-V822 WeakPolarHBondContact ND2-CG2 3.22Å | ||
| 823 | C | 76.9 | Confident | 82.5 | Confident | 15 Ų | 15 | 70 Ų | 70 | 10% | 0.101 | 39% | 0.385 | C | S | . | . | trans | -76.3 | 121.4 | 173.9 | -171.8 | 0 | 0 | 0 | 0 | 110.6 | H786 H802 Q825 | H786-C823 PolarHBondContact CE1-O 2.97Å; H786-C823 VanDerWaalsContact CE1-O 3.28Å; H802-C823 HydrophobicContact CB-CB 3.96Å; C823-Q825 VanDerWaalsContact C-N 3.3Å; C823-Q825 PolarHBondContact O-N 3.33Å; C823-Q825 PolarHBondContact SG-O 3.49Å | ||
| 824 | D | 64.5 | Low | 82.4 | Confident | 164 Ų | 164 | 70.1 Ų | 70.1 | 88% | 0.877 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -67.8 | -22.7 | -177 | -71.9 | -22.4 | 0 | 0 | 0 | 114.6 | ||
| 825 | Q | 66.1 | Low | 82.3 | Confident | 126 Ų | 126 | 71.6 Ų | 71.6 | 59% | 0.589 | 40% | 0.4 | S | S | * | . | trans | -135.7 | 142.3 | -172.3 | -65.8 | -175.9 | -7.6 | 0 | 0 | 113.2 | C823 F827 | C823-Q825 VanDerWaalsContact C-N 3.3Å; C823-Q825 PolarHBondContact O-N 3.33Å; C823-Q825 PolarHBondContact SG-O 3.49Å; Q825-F827 WeakPolarHBondContact O-CE2 3.47Å | ||
| 826 | S | 68.3 | Low | 82.2 | Confident | 97 Ų | 97 | 74 Ų | 74 | 68% | 0.678 | 42% | 0.421 | S | S | * | . | trans | -87.7 | 118.6 | 171.3 | -69.6 | 0 | 0 | 0 | 0 | 110.7 | G828 | S826-G828 VanDerWaalsContact C-N 3.34Å; S826-G828 PolarHBondContact O-N 3.28Å | ||
| 827 | F | 75.5 | Confident | 82 | Confident | 24 Ų | 24 | 73.8 Ų | 73.8 | 11% | 0.105 | 42% | 0.423 | C | S | . | . | trans | -86.8 | 3 | -175.7 | -59.2 | -76.2 | 0 | 0 | 0 | 114.7 | P671 A805 T807 L812 Q825 I829 H830 V831 | P671-F827 HydrophobicContact CB-CB 4.2Å; P671-F827 HydrophobicContact CB-CD2 3.78Å; P671-F827 HydrophobicContact CB-CG 4.32Å; P671-F827 HydrophobicContact CG-CD2 3.75Å; P671-F827 HydrophobicContact CG-CE2 4.16Å; A805-F827 HydrophobicContact CB-CE2 4.23Å; A805-F827 HydrophobicContact CB-CZ 4.22Å; T807-F827 HydrophobicContact CG2-CD1 3.44Å; T807-F827 VanDerWaalsContact CG2-CD1 3.44Å; T807-F827 HydrophobicContact CG2-CE1 3.48Å; T807-F827 VanDerWaalsContact CG2-CE1 3.48Å; L812-F827 HydrophobicContact CD1-CD1 3.89Å; L812-F827 HydrophobicContact CD1-CE1 4.41Å; L812-F827 HydrophobicContact CD1-CG 4.29Å; L812-F827 HydrophobicContact CD2-CB 4.47Å; Q825-F827 WeakPolarHBondContact O-CE2 3.47Å; F827-I829 PolarHBondContact O-N 3.03Å; F827-H830 PolarHBondContact O-N 3.38Å; F827-V831 WeakPolarHBondContact O-CG2 3.4Å; F827-V831 PolarHBondContact O-N 3Å | ||
| 828 | G | 79.6 | Confident | 81.9 | Confident | 55 Ų | 55 | 69.8 Ų | 69.8 | 57% | 0.567 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -58.7 | -46.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S826 V831 A832 | S826-G828 VanDerWaalsContact C-N 3.34Å; S826-G828 PolarHBondContact O-N 3.28Å; G828-V831 PolarHBondContact O-N 3.48Å; G828-A832 PolarHBondContact O-N 2.88Å; G828-A832 VanDerWaalsContact O-N 3.14Å |
| 829 | I | 83.2 | Confident | 81.7 | Confident | 44 Ų | 44 | 73.2 Ų | 73.2 | 23% | 0.226 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -68.2 | -38.1 | 178.7 | -59.5 | 178 | 0 | 0 | 0 | 110.9 | F827 V831 A832 E833 L842 A845 R846 A849 | F827-I829 PolarHBondContact O-N 3.03Å; I829-V831 VanDerWaalsContact C-N 3.31Å; I829-V831 PolarHBondContact O-N 2.81Å; I829-A832 WeakPolarHBondContact O-CB 3.33Å; I829-A832 PolarHBondContact O-N 3.21Å; I829-A832 VanDerWaalsContact O-N 3.11Å; I829-E833 PolarHBondContact O-N 3.1Å; I829-L842 HydrophobicContact CG2-CD2 4.11Å; I829-A845 HydrophobicContact CD1-CB 4.48Å; I829-R846 HydrophobicContact CD1-CB 4.38Å; I829-R846 HydrophobicContact CD1-CG 3.83Å; I829-R846 HydrophobicContact CG2-CG 3.84Å; I829-A849 HydrophobicContact CD1-CB 3.81Å |
| 830 | H | 79 | Confident | 81.7 | Confident | 37 Ų | 37 | 71.8 Ų | 71.8 | 17% | 0.171 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64 | -37 | 176.6 | -158.2 | 75.2 | 0 | 0 | 0 | 111.8 | T808 F827 A832 E833 L834 | T808-H830 PolarHBondContact O-CE1 3.11Å; T808-H830 PolarHBondContact O-NE2 3.05Å; T808-H830 VanDerWaalsContact O-NE2 3.16Å; F827-H830 PolarHBondContact O-N 3.38Å; H830-A832 VanDerWaalsContact C-N 3.34Å; H830-E833 IonicContact ND1-OE2 2.84Å; H830-E833 WeakPolarHBondContact O-CB 3.49Å; H830-E833 PolarHBondContact O-N 3.36Å; H830-L834 WeakPolarHBondContact O-CG 3.39Å; H830-L834 PolarHBondContact O-N 2.83Å |
| 831 | V | 82.3 | Confident | 81.6 | Confident | 68 Ų | 68 | 70.1 Ų | 70.1 | 41% | 0.412 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 172.4 | 174 | 0 | 0 | 0 | 0 | 111.2 | L812 F827 G828 I829 E833 L834 A835 | L812-V831 HydrophobicContact CD2-CG2 3.53Å; F827-V831 WeakPolarHBondContact O-CG2 3.4Å; F827-V831 PolarHBondContact O-N 3Å; G828-V831 PolarHBondContact O-N 3.48Å; I829-V831 VanDerWaalsContact C-N 3.31Å; I829-V831 PolarHBondContact O-N 2.81Å; V831-E833 VanDerWaalsContact C-N 3.34Å; V831-L834 PolarHBondContact O-N 2.93Å; V831-A835 WeakPolarHBondContact O-CB 3.35Å; V831-A835 PolarHBondContact O-N 3.01Å |
| 832 | A | 83.9 | Confident | 81.6 | Confident | 21 Ų | 21 | 68.9 Ų | 68.9 | 17% | 0.174 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.6 | -36.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G828 I829 H830 A835 C836 F837 L842 | G828-A832 PolarHBondContact O-N 2.88Å; G828-A832 VanDerWaalsContact O-N 3.14Å; I829-A832 WeakPolarHBondContact O-CB 3.33Å; I829-A832 PolarHBondContact O-N 3.21Å; I829-A832 VanDerWaalsContact O-N 3.11Å; H830-A832 VanDerWaalsContact C-N 3.34Å; A832-A835 CarbonylContact O-C 3.55Å; A832-A835 PolarHBondContact O-N 3.48Å; A832-C836 PolarHBondContact O-N 2.93Å; A832-F837 HydrophobicContact CB-CB 4.41Å; A832-F837 HydrophobicContact CB-CD1 4.29Å; A832-F837 HydrophobicContact CB-CD2 4.18Å; A832-F837 HydrophobicContact CB-CG 4.04Å; A832-F837 WeakPolarHBondContact O-CB 3.47Å; A832-F837 VanDerWaalsContact O-CD2 3.28Å; A832-F837 WeakPolarHBondContact O-CD2 3.49Å; A832-F837 PolarHBondContact O-N 3.39Å; A832-F837 VanDerWaalsContact O-N 3.11Å; A832-L842 HydrophobicContact CB-CD2 3.75Å |
| 833 | E | 82.9 | Confident | 81.8 | Confident | 76 Ų | 76 | 72.7 Ų | 72.7 | 36% | 0.355 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 173.8 | -172.3 | 161.9 | -155.6 | 0 | 0 | 111.6 | I829 H830 V831 A835 C836 L842 R846 | I829-E833 PolarHBondContact O-N 3.1Å; H830-E833 IonicContact ND1-OE2 2.84Å; H830-E833 WeakPolarHBondContact O-CB 3.49Å; H830-E833 PolarHBondContact O-N 3.36Å; V831-E833 VanDerWaalsContact C-N 3.34Å; E833-A835 VanDerWaalsContact C-N 3.29Å; E833-A835 PolarHBondContact O-N 2.81Å; E833-C836 PolarHBondContact O-N 3.26Å; E833-L842 HydrophobicContact CB-CD1 3.87Å; E833-L842 HydrophobicContact CB-CD2 4.4Å; E833-L842 HydrophobicContact CG-CD1 3.97Å; E833-R846 IonicContact OE1-NH2 2.64Å; E833-R846 PolarHBondContact OE1-NH2 2.82Å; E833-R846 IonicContact OE2-NH2 3.6Å; E833-R846 PolarHBondContact OE2-NH2 3.29Å |
| 834 | L | 80 | Confident | 82.4 | Confident | 65 Ų | 65 | 75.9 Ų | 75.9 | 34% | 0.34 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.4 | -29.5 | 173.4 | -66.3 | 170.2 | 0 | 0 | 0 | 113.5 | N810 L812 H830 V831 C836 | N810-L834 WeakPolarHBondContact O-CD2 3.35Å; L812-L834 HydrophobicContact CB-CD1 3.32Å; H830-L834 WeakPolarHBondContact O-CG 3.39Å; H830-L834 PolarHBondContact O-N 2.83Å; V831-L834 PolarHBondContact O-N 2.93Å; L834-C836 PolarHBondContact O-N 3.46Å |
| 835 | A | 84.6 | Confident | 83.5 | Confident | 61 Ų | 61 | 70 Ų | 70 | 50% | 0.504 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 9.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | V831 A832 E833 F837 | V831-A835 WeakPolarHBondContact O-CB 3.35Å; V831-A835 PolarHBondContact O-N 3.01Å; A832-A835 CarbonylContact O-C 3.55Å; A832-A835 PolarHBondContact O-N 3.48Å; E833-A835 VanDerWaalsContact C-N 3.29Å; E833-A835 PolarHBondContact O-N 2.81Å; A835-F837 VanDerWaalsContact C-N 3.33Å; A835-F837 HydrophobicContact CB-CD2 3.88Å; A835-F837 HydrophobicContact CB-CE2 3.93Å; A835-F837 PolarHBondContact O-N 2.94Å |
| 836 | C | 84.8 | Confident | 84.5 | Confident | 116 Ų | 116 | 68.4 Ų | 68.4 | 78% | 0.784 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 39 | 178.7 | -60.8 | 0 | 0 | 0 | 0 | 113.4 | A832 E833 L834 | A832-C836 PolarHBondContact O-N 2.93Å; E833-C836 PolarHBondContact O-N 3.26Å; L834-C836 PolarHBondContact O-N 3.46Å |
| 837 | F | 86.8 | Confident | 85.3 | Confident | 105 Ų | 105 | 69.4 Ų | 69.4 | 46% | 0.461 | 41% | 0.407 | S | S | . | . | trans | -62 | 148.2 | 172.1 | -87 | -127 | 0 | 0 | 0 | 110.8 | A832 A835 V841 L842 | A832-F837 HydrophobicContact CB-CB 4.41Å; A832-F837 HydrophobicContact CB-CD1 4.29Å; A832-F837 HydrophobicContact CB-CD2 4.18Å; A832-F837 HydrophobicContact CB-CG 4.04Å; A832-F837 WeakPolarHBondContact O-CB 3.47Å; A832-F837 VanDerWaalsContact O-CD2 3.28Å; A832-F837 WeakPolarHBondContact O-CD2 3.49Å; A832-F837 PolarHBondContact O-N 3.39Å; A832-F837 VanDerWaalsContact O-N 3.11Å; A835-F837 VanDerWaalsContact C-N 3.33Å; A835-F837 HydrophobicContact CB-CD2 3.88Å; A835-F837 HydrophobicContact CB-CE2 3.93Å; A835-F837 PolarHBondContact O-N 2.94Å; F837-V841 HydrophobicContact CD1-CG1 4.15Å; F837-L842 HydrophobicContact CB-CD1 4.49Å; F837-L842 HydrophobicContact CB-CD2 3.98Å; F837-L842 HydrophobicContact CB-CG 4.11Å | ||
| 838 | P | 90.9 | Very high | 85.7 | Confident | 71 Ų | 71 | 73.2 Ų | 73.2 | 46% | 0.461 | 42% | 0.423 | S | S | . | . | trans | -57 | 136.4 | 177.2 | -24 | 33.4 | 0 | 0 | 0 | 111.5 | S840 V841 L842 | P838-S840 PolarHBondContact O-N 3.29Å; P838-S840 VanDerWaalsContact O-N 3.14Å; P838-V841 HydrophobicContact CB-CG2 4.08Å; P838-V841 HydrophobicContact CG-CG2 4.19Å; P838-V841 WeakPolarHBondContact O-CB 3.36Å; P838-V841 PolarHBondContact O-N 2.96Å; P838-L842 PolarHBondContact O-N 2.89Å | ||
| 839 | P | 88.8 | Confident | 85.8 | Confident | 99 Ų | 99 | 72.1 Ų | 72.1 | 64% | 0.643 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -54.5 | -36.9 | -179.4 | -28.3 | 34.9 | 0 | 0 | 0 | 113.4 | V841 L842 E843 | P839-V841 VanDerWaalsContact C-N 3.27Å; P839-V841 PolarHBondContact O-N 3.12Å; P839-L842 PolarHBondContact O-N 3Å; P839-L842 VanDerWaalsContact O-N 3.15Å; P839-E843 PolarHBondContact O-N 3.03Å |
| 840 | S | 92.1 | Very high | 85.6 | Confident | 79 Ų | 79 | 75 Ų | 75 | 55% | 0.552 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.2 | -31.2 | 176.3 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | P838 V844 | P838-S840 PolarHBondContact O-N 3.29Å; P838-S840 VanDerWaalsContact O-N 3.14Å; S840-V844 WeakPolarHBondContact O-CG2 3.3Å; S840-V844 PolarHBondContact O-N 3.08Å |
| 841 | V | 91.4 | Very high | 85.5 | Confident | 71 Ų | 71 | 77.8 Ų | 77.8 | 43% | 0.43 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -75.8 | -39.2 | 175.3 | 177.6 | 0 | 0 | 0 | 0 | 110.1 | F837 P838 P839 A845 | F837-V841 HydrophobicContact CD1-CG1 4.15Å; P838-V841 HydrophobicContact CB-CG2 4.08Å; P838-V841 HydrophobicContact CG-CG2 4.19Å; P838-V841 WeakPolarHBondContact O-CB 3.36Å; P838-V841 PolarHBondContact O-N 2.96Å; P839-V841 VanDerWaalsContact C-N 3.27Å; P839-V841 PolarHBondContact O-N 3.12Å; V841-A845 VanDerWaalsContact O-CB 3.28Å; V841-A845 WeakPolarHBondContact O-CB 3.16Å; V841-A845 PolarHBondContact O-N 2.83Å |
| 842 | L | 88.6 | Confident | 85.1 | Confident | 9 Ų | 9 | 79.2 Ų | 79.2 | 5% | 0.047 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.5 | -41 | 179 | -65.2 | 172.3 | 0 | 0 | 0 | 112.1 | I829 A832 E833 F837 P838 P839 A845 R846 | I829-L842 HydrophobicContact CG2-CD2 4.11Å; A832-L842 HydrophobicContact CB-CD2 3.75Å; E833-L842 HydrophobicContact CB-CD1 3.87Å; E833-L842 HydrophobicContact CB-CD2 4.4Å; E833-L842 HydrophobicContact CG-CD1 3.97Å; F837-L842 HydrophobicContact CB-CD1 4.49Å; F837-L842 HydrophobicContact CB-CD2 3.98Å; F837-L842 HydrophobicContact CB-CG 4.11Å; P838-L842 PolarHBondContact O-N 2.89Å; P839-L842 PolarHBondContact O-N 3Å; P839-L842 VanDerWaalsContact O-N 3.15Å; L842-A845 PolarHBondContact O-N 2.84Å; L842-R846 WeakPolarHBondContact O-CG 3.26Å; L842-R846 PolarHBondContact O-N 3.09Å |
| 843 | E | 88.2 | Confident | 84.4 | Confident | 123 Ų | 123 | 83.4 Ų | 83.4 | 58% | 0.575 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.1 | -50.2 | 176.5 | -73.4 | -169.7 | 161.1 | 0 | 0 | 111.4 | P839 A845 R846 E847 | P839-E843 PolarHBondContact O-N 3.03Å; E843-A845 VanDerWaalsContact C-N 3.28Å; E843-A845 PolarHBondContact O-N 3.43Å; E843-R846 PolarHBondContact O-N 3.39Å; E843-R846 VanDerWaalsContact O-N 3.14Å; E843-E847 WeakPolarHBondContact O-CG 3.41Å; E843-E847 PolarHBondContact O-N 3.4Å |
| 844 | V | 89.6 | Confident | 83.1 | Confident | 82 Ų | 82 | 82.9 Ų | 82.9 | 50% | 0.497 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62 | -37.7 | 176.7 | 176.3 | 0 | 0 | 0 | 0 | 111.6 | S840 K848 | S840-V844 WeakPolarHBondContact O-CG2 3.3Å; S840-V844 PolarHBondContact O-N 3.08Å; V844-K848 WeakPolarHBondContact O-CB 3.41Å; V844-K848 WeakPolarHBondContact O-CG 3.44Å; V844-K848 PolarHBondContact O-N 3.43Å |
| 845 | A | 88.2 | Confident | 81.4 | Confident | 40 Ų | 40 | 88.3 Ų | 88.3 | 33% | 0.331 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.1 | -37.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I829 V841 L842 E843 A849 | I829-A845 HydrophobicContact CD1-CB 4.48Å; V841-A845 VanDerWaalsContact O-CB 3.28Å; V841-A845 WeakPolarHBondContact O-CB 3.16Å; V841-A845 PolarHBondContact O-N 2.83Å; L842-A845 PolarHBondContact O-N 2.84Å; E843-A845 VanDerWaalsContact C-N 3.28Å; E843-A845 PolarHBondContact O-N 3.43Å; A845-A849 WeakPolarHBondContact O-CB 3.44Å; A845-A849 PolarHBondContact O-N 3.47Å |
| 846 | R | 86.1 | Confident | 79.5 | Confident | 94 Ų | 94 | 89.9 Ų | 89.9 | 36% | 0.355 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.7 | -48 | 174.5 | -72.8 | -178.6 | -168.6 | 125.6 | -2 | 111.2 | I829 E833 L842 E843 K848 A849 E850 | I829-R846 HydrophobicContact CD1-CB 4.38Å; I829-R846 HydrophobicContact CD1-CG 3.83Å; I829-R846 HydrophobicContact CG2-CG 3.84Å; E833-R846 IonicContact OE1-NH2 2.64Å; E833-R846 PolarHBondContact OE1-NH2 2.82Å; E833-R846 IonicContact OE2-NH2 3.6Å; E833-R846 PolarHBondContact OE2-NH2 3.29Å; L842-R846 WeakPolarHBondContact O-CG 3.26Å; L842-R846 PolarHBondContact O-N 3.09Å; E843-R846 PolarHBondContact O-N 3.39Å; E843-R846 VanDerWaalsContact O-N 3.14Å; R846-K848 VanDerWaalsContact C-N 3.29Å; R846-K848 PolarHBondContact O-N 3.15Å; R846-A849 PolarHBondContact O-N 2.89Å; R846-A849 VanDerWaalsContact O-N 3.12Å; R846-E850 PolarHBondContact O-N 2.81Å |
| 847 | E | 84.6 | Confident | 77.5 | Confident | 118 Ų | 118 | 89.1 Ų | 89.1 | 55% | 0.551 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -55 | -46.5 | 175.4 | -72.1 | 179.1 | 172.6 | 0 | 0 | 111.2 | E843 E850 E851 | E843-E847 WeakPolarHBondContact O-CG 3.41Å; E843-E847 PolarHBondContact O-N 3.4Å; E847-E850 PolarHBondContact O-N 3.36Å; E847-E851 WeakPolarHBondContact O-CG 3.42Å; E847-E851 PolarHBondContact O-N 3.3Å; E847-E851 VanDerWaalsContact O-N 3.09Å |
| 848 | K | 84.1 | Confident | 75.2 | Confident | 103 Ų | 103 | 89.2 Ų | 89.2 | 45% | 0.448 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.3 | -32.2 | 177.2 | -72.2 | -51.8 | -175.9 | -160.6 | 0 | 114.6 | V844 R846 E851 L852 | V844-K848 WeakPolarHBondContact O-CB 3.41Å; V844-K848 WeakPolarHBondContact O-CG 3.44Å; V844-K848 PolarHBondContact O-N 3.43Å; R846-K848 VanDerWaalsContact C-N 3.29Å; R846-K848 PolarHBondContact O-N 3.15Å; K848-E851 WeakPolarHBondContact CD-OE2 3.42Å; K848-E851 IonicContact NZ-OE1 3.73Å; K848-E851 PolarHBondContact NZ-OE1 2.9Å; K848-E851 IonicContact NZ-OE2 3.04Å; K848-E851 PolarHBondContact NZ-OE2 3.41Å; K848-L852 WeakPolarHBondContact O-CD1 3.49Å; K848-L852 VanDerWaalsContact O-CG 3.28Å; K848-L852 WeakPolarHBondContact O-CG 3.18Å; K848-L852 PolarHBondContact O-N 3.1Å |
| 849 | A | 82.2 | Confident | 72.5 | Confident | 32 Ų | 32 | 91.3 Ų | 91.3 | 26% | 0.264 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.7 | -44.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I829 A845 R846 E851 L852 E853 | I829-A849 HydrophobicContact CD1-CB 3.81Å; A845-A849 WeakPolarHBondContact O-CB 3.44Å; A845-A849 PolarHBondContact O-N 3.47Å; R846-A849 PolarHBondContact O-N 2.89Å; R846-A849 VanDerWaalsContact O-N 3.12Å; A849-E851 PolarHBondContact O-N 3.1Å; A849-L852 PolarHBondContact O-N 3.19Å; A849-L852 VanDerWaalsContact O-N 3.13Å; A849-E853 PolarHBondContact O-N 3.17Å |
| 850 | E | 78.6 | Confident | 70 | Confident | 105 Ų | 105 | 89.6 Ų | 89.6 | 49% | 0.491 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 176.7 | -72.3 | 178.5 | -172.4 | 0 | 0 | 112 | R846 E847 L852 E854 | R846-E850 PolarHBondContact O-N 2.81Å; E847-E850 PolarHBondContact O-N 3.36Å; E850-L852 VanDerWaalsContact C-N 3.27Å; E850-L852 PolarHBondContact O-N 2.99Å; E850-E854 PolarHBondContact O-N 2.85Å |
| 851 | E | 77.5 | Confident | 67.3 | Low | 96 Ų | 96 | 93 Ų | 93 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.2 | -37.6 | 173.8 | -76.3 | 178.7 | -157.1 | 0 | 0 | 112.7 | E847 K848 A849 | E847-E851 WeakPolarHBondContact O-CG 3.42Å; E847-E851 PolarHBondContact O-N 3.3Å; E847-E851 VanDerWaalsContact O-N 3.09Å; K848-E851 WeakPolarHBondContact CD-OE2 3.42Å; K848-E851 IonicContact NZ-OE1 3.73Å; K848-E851 PolarHBondContact NZ-OE1 2.9Å; K848-E851 IonicContact NZ-OE2 3.04Å; K848-E851 PolarHBondContact NZ-OE2 3.41Å; A849-E851 PolarHBondContact O-N 3.1Å |
| 852 | L | 73.7 | Confident | 64.6 | Low | 97 Ų | 97 | 96.7 Ų | 96.7 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -85.1 | -32 | -175.5 | -70 | 170.6 | 0 | 0 | 0 | 113.1 | K848 A849 E850 E854 F855 Q856 | K848-L852 WeakPolarHBondContact O-CD1 3.49Å; K848-L852 VanDerWaalsContact O-CG 3.28Å; K848-L852 WeakPolarHBondContact O-CG 3.18Å; K848-L852 PolarHBondContact O-N 3.1Å; A849-L852 PolarHBondContact O-N 3.19Å; A849-L852 VanDerWaalsContact O-N 3.13Å; E850-L852 VanDerWaalsContact C-N 3.27Å; E850-L852 PolarHBondContact O-N 2.99Å; L852-E854 VanDerWaalsContact C-N 3.29Å; L852-E854 PolarHBondContact O-N 2.83Å; L852-F855 WeakPolarHBondContact O-CB 3.44Å; L852-F855 PolarHBondContact O-N 3.31Å; L852-F855 VanDerWaalsContact O-N 3.15Å; L852-Q856 VanDerWaalsContact O-CG 3.31Å; L852-Q856 WeakPolarHBondContact O-CG 3.3Å; L852-Q856 PolarHBondContact O-N 2.74Å |
| 853 | E | 68.1 | Low | 62.2 | Low | 110 Ų | 110 | 100.6 Ų | 100.6 | 51% | 0.514 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.1 | -35.6 | 174.8 | -78.9 | -177.7 | 175.7 | 0 | 0 | 111.7 | A849 F855 Q856 | A849-E853 PolarHBondContact O-N 3.17Å; E853-F855 PolarHBondContact O-N 3.28Å; E853-Q856 PolarHBondContact O-N 3.06Å |
| 854 | E | 55.8 | Low | 59.7 | Low | 64 Ų | 64 | 101.8 Ų | 101.8 | 30% | 0.299 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.8 | -29.8 | 174.4 | -82.9 | -174.8 | 166.5 | 0 | 0 | 113.2 | E850 L852 R930 | E850-E854 PolarHBondContact O-N 2.85Å; L852-E854 VanDerWaalsContact C-N 3.29Å; L852-E854 PolarHBondContact O-N 2.83Å; E854-R930 IonicContact OE1-CZ 2.72Å; E854-R930 IonicContact OE1-NH1 3.94Å; E854-R930 PolarHBondContact OE1-NH1 3.14Å; E854-R930 IonicContact OE1-NH2 2.7Å |
| 855 | F | 45.6 | Very low | 57.1 | Low | 180 Ų | 180 | 106.8 Ų | 106.8 | 79% | 0.789 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -13.8 | 179.3 | -103.2 | -91.3 | 0 | 0 | 0 | 114.3 | L852 E853 | L852-F855 WeakPolarHBondContact O-CB 3.44Å; L852-F855 PolarHBondContact O-N 3.31Å; L852-F855 VanDerWaalsContact O-N 3.15Å; E853-F855 PolarHBondContact O-N 3.28Å |
| 856 | Q | 44.8 | Very low | 54.7 | Low | 93 Ų | 93 | 112.7 Ų | 112.7 | 44% | 0.435 | 58% | 0.583 | S | S | . | * | trans | -100 | -10.9 | -163.7 | -79.1 | 175.5 | 1.2 | 0 | 0 | 116.2 | L852 E853 P858 | L852-Q856 VanDerWaalsContact O-CG 3.31Å; L852-Q856 WeakPolarHBondContact O-CG 3.3Å; L852-Q856 PolarHBondContact O-N 2.74Å; E853-Q856 PolarHBondContact O-N 3.06Å; Q856-P858 VanDerWaalsContact O-CD 3.28Å; Q856-P858 WeakPolarHBondContact O-CD 3.37Å | ||
| 857 | E | 41.8 | Very low | 52.5 | Low | 100 Ų | 100 | 112.4 Ų | 112.4 | 47% | 0.467 | 59% | 0.586 | S | S | . | * | trans | -80 | 115.3 | 175.3 | -74.8 | -165.6 | 132 | 0 | 0 | 111.2 | K878 | E857-K878 IonicContact OE2-NZ 3.45Å; E857-K878 PolarHBondContact OE2-NZ 3.08Å | ||
| 858 | P | 37.9 | Very low | 50.7 | Low | 108 Ų | 108 | 113.7 Ų | 113.7 | 70% | 0.701 | 59% | 0.592 | S | S | * | * | trans | -76.6 | 143.1 | 174.9 | 6.2 | 10.1 | 0 | 0 | 0 | 110.4 | Q856 G860 | Q856-P858 VanDerWaalsContact O-CD 3.28Å; Q856-P858 WeakPolarHBondContact O-CD 3.37Å; P858-G860 PolarHBondContact O-N 3.45Å | ||
| 859 | V | 35.8 | Very low | 49.1 | Very low | 115 Ų | 115 | 113.9 Ų | 113.9 | 70% | 0.697 | 60% | 0.603 | S | S | * | * | trans | -61.6 | 94.3 | 166.9 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 860 | G | 35.6 | Very low | 47.8 | Very low | 63 Ų | 63 | 119.5 Ų | 119.5 | 65% | 0.649 | 62% | 0.624 | S | S | * | * | trans | -93.3 | 131.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P858 | P858-G860 PolarHBondContact O-N 3.45Š| ||
| 861 | D | 36 | Very low | 46.6 | Very low | 151 Ų | 151 | 117.6 Ų | 117.6 | 81% | 0.807 | 62% | 0.619 | S | S | * | * | trans | -62.1 | 151.2 | -172.8 | -160.6 | 9.2 | 0 | 0 | 0 | 114.6 | S863 | D861-S863 VanDerWaalsContact C-N 3.3Å; D861-S863 PolarHBondContact O-N 3.29Å | ||
| 862 | D | 34.7 | Very low | 45.6 | Very low | 147 Ų | 147 | 117.2 Ų | 117.2 | 79% | 0.786 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -79 | 29.9 | -149 | -133.3 | -10.5 | 0 | 0 | 0 | 115.9 | ||
| 863 | S | 37.3 | Very low | 45 | Very low | 91 Ų | 91 | 121.9 Ų | 121.9 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | trans | -138.7 | 53.3 | -156.9 | 65.2 | 0 | 0 | 0 | 0 | 119 | D861 | D861-S863 VanDerWaalsContact C-N 3.3Å; D861-S863 PolarHBondContact O-N 3.29Å | ||
| 864 | K | 35.3 | Very low | 44.7 | Very low | 149 Ų | 149 | 126.1 Ų | 126.1 | 65% | 0.648 | 64% | 0.639 | S | S | * | * | trans | -141.6 | 148.6 | 153.1 | -69 | -169.8 | -176.7 | 165.7 | 0 | 113.8 | A793 | A793-K864 PolarHBondContact O-NZ 3.39Å; A793-K864 VanDerWaalsContact O-NZ 3.1Å | ||
| 865 | Q | 34.6 | Very low | 45.1 | Very low | 186 Ų | 186 | 128.5 Ų | 128.5 | 87% | 0.869 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -93 | 0.7 | -166.1 | -79.1 | 179.1 | -19.8 | 0 | 0 | 115.6 | ||
| 866 | D | 38.9 | Very low | 46.3 | Very low | 164 Ų | 164 | 123.7 Ų | 123.7 | 88% | 0.877 | 63% | 0.63 | S | S | * | * | trans | -119.1 | 46 | -171.9 | -66.2 | -40.3 | 0 | 0 | 0 | 114.1 | ||||
| 867 | E | 40.7 | Very low | 47.9 | Very low | 88 Ų | 88 | 122.5 Ų | 122.5 | 41% | 0.411 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -101.1 | 145.2 | 167 | -76 | -170.4 | 161.6 | 0 | 0 | 110.7 | R875 | E867-R875 IonicContact OE1-NH1 2.76Å; E867-R875 PolarHBondContact OE1-NH1 2.93Å; E867-R875 IonicContact OE2-NH1 2.89Å |
| 868 | E | 46.8 | Very low | 49.5 | Very low | 146 Ų | 146 | 119 Ų | 119 | 68% | 0.682 | 61% | 0.61 | S | S | * | * | trans | -55.6 | 136.6 | 170.8 | -77.9 | -173.8 | 164.3 | 0 | 0 | 110.6 | E870 V871 K872 | E868-E870 PolarHBondContact O-N 2.95Å; E868-V871 HydrophobicContact CB-CG2 4.46Å; E868-V871 PolarHBondContact O-N 3.23Å; E868-K872 PolarHBondContact O-N 2.94Å | ||
| 869 | P | 49.7 | Very low | 51.4 | Low | 106 Ų | 106 | 117.8 Ų | 117.8 | 69% | 0.688 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.8 | -20.7 | -169.8 | 21.4 | -31.8 | 0 | 0 | 0 | 114.5 | R873 | P869-R873 PolarHBondContact O-N 2.88Å |
| 870 | E | 54.2 | Low | 53.6 | Low | 151 Ų | 151 | 115.6 Ų | 115.6 | 71% | 0.706 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -79.3 | -40.1 | 177.5 | -71.5 | -168.4 | 153.4 | 0 | 0 | 113.4 | E868 R873 R874 | E868-E870 PolarHBondContact O-N 2.95Å; E870-R873 PolarHBondContact O-N 3.27Å; E870-R874 PolarHBondContact O-N 3.31Å; E870-R874 VanDerWaalsContact O-N 3.08Å |
| 871 | V | 53.6 | Low | 56 | Low | 64 Ų | 64 | 112.6 Ų | 112.6 | 39% | 0.388 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.5 | -42.1 | 178.8 | -179.3 | 0 | 0 | 0 | 0 | 110.2 | E868 R873 R874 R875 | E868-V871 HydrophobicContact CB-CG2 4.46Å; E868-V871 PolarHBondContact O-N 3.23Å; V871-R873 PolarHBondContact O-N 3.07Å; V871-R874 PolarHBondContact O-N 2.81Å; V871-R875 PolarHBondContact O-N 3.47Å |
| 872 | K | 57.8 | Low | 58.2 | Low | 89 Ų | 89 | 109 Ų | 109 | 39% | 0.387 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 176.6 | -154.5 | 170.5 | -170.7 | 166.3 | 0 | 111.3 | E868 R875 T876 | E868-K872 PolarHBondContact O-N 2.94Å; K872-R875 PolarHBondContact O-N 2.68Å; K872-T876 PolarHBondContact O-N 2.85Å; K872-T876 VanDerWaalsContact O-N 3.08Å; K872-T876 PolarHBondContact O-OG1 2.87Å |
| 873 | R | 60.9 | Low | 60.6 | Low | 194 Ų | 194 | 107 Ų | 107 | 73% | 0.732 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.9 | -47.7 | 175.9 | -93.7 | -178.4 | 170.1 | 176.2 | -2.2 | 113 | P869 E870 V871 R875 T876 D877 | P869-R873 PolarHBondContact O-N 2.88Å; E870-R873 PolarHBondContact O-N 3.27Å; V871-R873 PolarHBondContact O-N 3.07Å; R873-R875 PolarHBondContact O-N 3.19Å; R873-T876 PolarHBondContact O-N 2.79Å; R873-D877 WeakPolarHBondContact O-CB 3.44Å; R873-D877 PolarHBondContact O-N 3.43Å |
| 874 | R | 61.9 | Low | 63 | Low | 200 Ų | 200 | 103.9 Ų | 103.9 | 76% | 0.755 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.1 | -41.4 | -179.6 | -79.6 | -175 | 175.1 | 179.3 | -0 | 112.6 | E870 V871 D877 K878 | E870-R874 PolarHBondContact O-N 3.31Å; E870-R874 VanDerWaalsContact O-N 3.08Å; V871-R874 PolarHBondContact O-N 2.81Å; R874-D877 PolarHBondContact O-N 3.38Å; R874-K878 WeakPolarHBondContact O-CB 3.37Å; R874-K878 PolarHBondContact O-N 3.29Å |
| 875 | R | 62.5 | Low | 65.5 | Low | 114 Ų | 114 | 99 Ų | 99 | 43% | 0.43 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 176 | -81.9 | -176.2 | 171.6 | 167.2 | -2.3 | 112.6 | E867 V871 K872 R873 D877 K878 Q879 | E867-R875 IonicContact OE1-NH1 2.76Å; E867-R875 PolarHBondContact OE1-NH1 2.93Å; E867-R875 IonicContact OE2-NH1 2.89Å; V871-R875 PolarHBondContact O-N 3.47Å; K872-R875 PolarHBondContact O-N 2.68Å; R873-R875 PolarHBondContact O-N 3.19Å; R875-D877 VanDerWaalsContact C-N 3.32Å; R875-D877 PolarHBondContact O-N 3.2Å; R875-K878 PolarHBondContact O-N 2.8Å; R875-Q879 PolarHBondContact O-N 3.49Å |
| 876 | T | 72.1 | Confident | 67.9 | Low | 79 Ų | 79 | 95.6 Ų | 95.6 | 49% | 0.485 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 178.5 | -35 | 0 | 0 | 0 | 0 | 111.2 | K872 R873 V880 | K872-T876 PolarHBondContact O-N 2.85Å; K872-T876 VanDerWaalsContact O-N 3.08Å; K872-T876 PolarHBondContact O-OG1 2.87Å; R873-T876 PolarHBondContact O-N 2.79Å; T876-V880 WeakPolarHBondContact O-CB 3.47Å; T876-V880 WeakPolarHBondContact O-CG2 3.42Å; T876-V880 PolarHBondContact O-N 3.13Å |
| 877 | D | 77.9 | Confident | 70.2 | Confident | 67 Ų | 67 | 90.3 Ų | 90.3 | 36% | 0.358 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 176.9 | -80.9 | -12.7 | 0 | 0 | 0 | 112.3 | R873 R874 R875 G881 N921 T922 | R873-D877 WeakPolarHBondContact O-CB 3.44Å; R873-D877 PolarHBondContact O-N 3.43Å; R874-D877 PolarHBondContact O-N 3.38Å; R875-D877 VanDerWaalsContact C-N 3.32Å; R875-D877 PolarHBondContact O-N 3.2Å; D877-G881 PolarHBondContact O-N 2.76Å; D877-N921 PolarHBondContact O-ND2 3.01Å; D877-N921 PolarHBondContact O-OD1 2.65Å; D877-T922 PolarHBondContact OD2-OG1 3.36Å |
| 878 | K | 76.2 | Confident | 72.5 | Confident | 28 Ų | 28 | 87.7 Ų | 87.7 | 12% | 0.122 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.8 | -51.7 | 176 | -179.1 | 177.9 | 171.9 | -177 | 0 | 111.9 | E857 R874 R875 V880 G881 E882 Y923 | E857-K878 IonicContact OE2-NZ 3.45Å; E857-K878 PolarHBondContact OE2-NZ 3.08Å; R874-K878 WeakPolarHBondContact O-CB 3.37Å; R874-K878 PolarHBondContact O-N 3.29Å; R875-K878 PolarHBondContact O-N 2.8Å; K878-V880 VanDerWaalsContact C-N 3.33Å; K878-V880 PolarHBondContact O-N 3.5Å; K878-G881 CarbonylContact O-C 3.58Å; K878-G881 WeakPolarHBondContact O-CA 3.26Å; K878-G881 PolarHBondContact O-N 3.28Å; K878-E882 WeakPolarHBondContact CE-OE1 3.17Å; K878-E882 PolarHBondContact O-N 3.11Å; K878-Y923 HydrophobicContact CB-CD2 4.26Å; K878-Y923 HydrophobicContact CB-CG 4.24Å; K878-Y923 HydrophobicContact CD-CE2 4.22Å; K878-Y923 HydrophobicContact CG-CD1 4.19Å; K878-Y923 HydrophobicContact CG-CD2 3.98Å; K878-Y923 HydrophobicContact CG-CE1 4.03Å; K878-Y923 HydrophobicContact CG-CE2 3.85Å; K878-Y923 HydrophobicContact CG-CG 4.16Å |
| 879 | Q | 76.8 | Confident | 74.5 | Confident | 82 Ų | 82 | 84.5 Ų | 84.5 | 38% | 0.383 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.8 | -37.3 | -177.6 | -165.2 | 168.9 | 13.3 | 0 | 0 | 112.4 | R875 N883 | R875-Q879 PolarHBondContact O-N 3.49Å; Q879-N883 PolarHBondContact O-N 3.17Å; Q879-N883 PolarHBondContact O-ND2 3.34Å |
| 880 | V | 82.8 | Confident | 76.4 | Confident | 69 Ų | 69 | 84.8 Ų | 84.8 | 42% | 0.418 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 170 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | T876 K878 N883 L884 | T876-V880 WeakPolarHBondContact O-CB 3.47Å; T876-V880 WeakPolarHBondContact O-CG2 3.42Å; T876-V880 PolarHBondContact O-N 3.13Å; K878-V880 VanDerWaalsContact C-N 3.33Å; K878-V880 PolarHBondContact O-N 3.5Å; V880-N883 PolarHBondContact O-N 3.14Å; V880-L884 HydrophobicContact CG1-CD1 4.08Å; V880-L884 HydrophobicContact CG1-CG 4.43Å; V880-L884 WeakPolarHBondContact O-CG 3.46Å; V880-L884 PolarHBondContact O-N 2.82Å; V880-L884 VanDerWaalsContact O-N 3.09Å |
| 881 | G | 84.4 | Confident | 78 | Confident | 0 Ų | 0 | 82.1 Ų | 82.1 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D877 K878 L884 I885 | D877-G881 PolarHBondContact O-N 2.76Å; K878-G881 CarbonylContact O-C 3.58Å; K878-G881 WeakPolarHBondContact O-CA 3.26Å; K878-G881 PolarHBondContact O-N 3.28Å; G881-L884 WeakPolarHBondContact O-CB 3.13Å; G881-L884 PolarHBondContact O-N 2.91Å; G881-I885 WeakPolarHBondContact O-CG1 3.33Å; G881-I885 PolarHBondContact O-N 2.83Å |
| 882 | E | 83.9 | Confident | 79.5 | Confident | 74 Ų | 74 | 81.1 Ų | 81.1 | 35% | 0.346 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 176.5 | -72.8 | 174 | 178.5 | 0 | 0 | 112 | K878 L884 I885 Q886 Y923 | K878-E882 WeakPolarHBondContact CE-OE1 3.17Å; K878-E882 PolarHBondContact O-N 3.11Å; E882-L884 VanDerWaalsContact C-N 3.26Å; E882-L884 PolarHBondContact O-N 3.02Å; E882-I885 PolarHBondContact O-N 3.35Å; E882-I885 VanDerWaalsContact O-N 3.14Å; E882-Q886 PolarHBondContact O-N 3.26Å; E882-Y923 HydrophobicContact CG-CE1 3.89Å |
| 883 | N | 84.8 | Confident | 80.9 | Confident | 105 Ų | 105 | 85.3 Ų | 85.3 | 56% | 0.561 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.1 | -36.8 | 175.7 | -75.4 | -37.8 | 0 | 0 | 0 | 112.3 | Q879 V880 Q886 D887 | Q879-N883 PolarHBondContact O-N 3.17Å; Q879-N883 PolarHBondContact O-ND2 3.34Å; V880-N883 PolarHBondContact O-N 3.14Å; N883-Q886 PolarHBondContact O-N 3.1Å; N883-D887 WeakPolarHBondContact O-CB 3.47Å; N883-D887 PolarHBondContact O-N 3.48Å |
| 884 | L | 87.1 | Confident | 82.1 | Confident | 26 Ų | 26 | 79.9 Ų | 79.9 | 14% | 0.136 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69.4 | -37.3 | 176.1 | -70.2 | 179.4 | 0 | 0 | 0 | 112.7 | V880 G881 E882 F888 L916 K919 N921 I924 | V880-L884 HydrophobicContact CG1-CD1 4.08Å; V880-L884 HydrophobicContact CG1-CG 4.43Å; V880-L884 WeakPolarHBondContact O-CG 3.46Å; V880-L884 PolarHBondContact O-N 2.82Å; V880-L884 VanDerWaalsContact O-N 3.09Å; G881-L884 WeakPolarHBondContact O-CB 3.13Å; G881-L884 PolarHBondContact O-N 2.91Å; E882-L884 VanDerWaalsContact C-N 3.26Å; E882-L884 PolarHBondContact O-N 3.02Å; L884-F888 WeakPolarHBondContact O-CB 3.36Å; L884-F888 PolarHBondContact O-N 3.08Å; L884-L916 HydrophobicContact CB-CD1 3.95Å; L884-L916 WeakPolarHBondContact O-CD1 3.46Å; L884-K919 HydrophobicContact CD1-CB 4.01Å; L884-K919 HydrophobicContact CD1-CD 3.66Å; L884-K919 HydrophobicContact CD1-CG 4.47Å; L884-K919 HydrophobicContact CD2-CD 3.27Å; L884-K919 HydrophobicContact CG-CD 4.03Å; L884-N921 HydrophobicContact CD1-CB 4.38Å; L884-I924 HydrophobicContact CB-CD1 3.81Å; L884-I924 HydrophobicContact CD1-CD1 3.95Å |
| 885 | I | 86.9 | Confident | 83.3 | Confident | 47 Ų | 47 | 71.5 Ų | 71.5 | 24% | 0.241 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 173.9 | -67.7 | 165.7 | 0 | 0 | 0 | 110.2 | G881 E882 F888 L889 Y923 I924 I927 | G881-I885 WeakPolarHBondContact O-CG1 3.33Å; G881-I885 PolarHBondContact O-N 2.83Å; E882-I885 PolarHBondContact O-N 3.35Å; E882-I885 VanDerWaalsContact O-N 3.14Å; I885-F888 WeakPolarHBondContact O-CB 3.46Å; I885-F888 PolarHBondContact O-N 3.39Å; I885-L889 HydrophobicContact CG2-CD1 4.09Å; I885-L889 HydrophobicContact CG2-CG 4.38Å; I885-L889 VanDerWaalsContact O-CG 3.31Å; I885-L889 WeakPolarHBondContact O-CG 3.49Å; I885-L889 PolarHBondContact O-N 2.91Å; I885-Y923 HydrophobicContact CD1-CE1 4.43Å; I885-I924 HydrophobicContact CD1-CG1 4.28Å; I885-I924 HydrophobicContact CG1-CD1 4.42Å; I885-I924 HydrophobicContact CG1-CG1 4.28Å; I885-I927 HydrophobicContact CD1-CD1 3.69Å |
| 886 | Q | 86.7 | Confident | 84.3 | Confident | 114 Ų | 114 | 69.5 Ų | 69.5 | 53% | 0.533 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.7 | -50.4 | 175.1 | -168.3 | 90.8 | 5.5 | 0 | 0 | 111.2 | E882 N883 F888 L889 E890 | E882-Q886 PolarHBondContact O-N 3.26Å; N883-Q886 PolarHBondContact O-N 3.1Å; Q886-F888 VanDerWaalsContact C-N 3.31Å; Q886-F888 PolarHBondContact O-N 3.36Å; Q886-L889 PolarHBondContact O-N 2.96Å; Q886-L889 VanDerWaalsContact O-N 3.14Å; Q886-E890 WeakPolarHBondContact O-CG 3.47Å; Q886-E890 PolarHBondContact O-N 2.92Å |
| 887 | D | 86.9 | Confident | 84.7 | Confident | 53 Ų | 53 | 70.1 Ų | 70.1 | 28% | 0.283 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.5 | -40.3 | 175.9 | 176.5 | 42 | 0 | 0 | 0 | 111.8 | N883 K891 K919 | N883-D887 WeakPolarHBondContact O-CB 3.47Å; N883-D887 PolarHBondContact O-N 3.48Å; D887-K891 VanDerWaalsContact CG-NZ 3.27Å; D887-K891 WeakPolarHBondContact O-CB 3.45Å; D887-K891 WeakPolarHBondContact O-CD 3.07Å; D887-K891 VanDerWaalsContact O-CG 3.28Å; D887-K891 WeakPolarHBondContact O-CG 3.43Å; D887-K891 PolarHBondContact O-N 3.06Å; D887-K891 WeakPolarHBondContact OD1-CE 3.11Å; D887-K891 IonicContact OD1-NZ 3.45Å; D887-K891 PolarHBondContact OD1-NZ 2.81Å; D887-K891 VanDerWaalsContact OD1-NZ 3.1Å; D887-K891 IonicContact OD2-NZ 3.97Å; D887-K891 PolarHBondContact OD2-NZ 3.13Å; D887-K919 IonicContact OD2-NZ 2.81Å |
| 888 | F | 88.9 | Confident | 84.7 | Confident | 34 Ų | 34 | 72 Ų | 72 | 15% | 0.149 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.8 | -49 | 172.3 | 169.2 | -89 | 0 | 0 | 0 | 112 | L884 I885 Q886 E890 K891 V892 I912 K913 L916 | L884-F888 WeakPolarHBondContact O-CB 3.36Å; L884-F888 PolarHBondContact O-N 3.08Å; I885-F888 WeakPolarHBondContact O-CB 3.46Å; I885-F888 PolarHBondContact O-N 3.39Å; Q886-F888 VanDerWaalsContact C-N 3.31Å; Q886-F888 PolarHBondContact O-N 3.36Å; F888-E890 PolarHBondContact O-N 3.07Å; F888-K891 PolarHBondContact O-N 3.48Å; F888-V892 HydrophobicContact CD1-CG2 4.42Å; F888-V892 HydrophobicContact CE1-CG2 4Å; F888-V892 HydrophobicContact CE2-CG2 4.14Å; F888-V892 HydrophobicContact CZ-CG2 3.82Å; F888-V892 VanDerWaalsContact O-CG2 3.3Å; F888-V892 WeakPolarHBondContact O-CG2 3.33Å; F888-V892 PolarHBondContact O-N 3.5Å; F888-I912 HydrophobicContact CD2-CG2 3.5Å; F888-I912 VanDerWaalsContact CD2-CG2 3.5Å; F888-I912 HydrophobicContact CE2-CB 4.39Å; F888-I912 HydrophobicContact CE2-CG2 3.68Å; F888-I912 HydrophobicContact CG-CG2 4.44Å; F888-K913 HydrophobicContact CE2-CB 4.47Å; F888-K913 HydrophobicContact CE2-CG 3.72Å; F888-K913 HydrophobicContact CZ-CG 3.94Å; F888-L916 HydrophobicContact CB-CD1 4.15Å; F888-L916 HydrophobicContact CB-CD2 4.14Å; F888-L916 HydrophobicContact CD1-CD2 4.5Å; F888-L916 HydrophobicContact CD2-CB 4.15Å; F888-L916 HydrophobicContact CD2-CD2 3.9Å; F888-L916 HydrophobicContact CG-CD2 3.93Å |
| 889 | L | 89.2 | Confident | 84.8 | Confident | 79 Ų | 79 | 76.3 Ų | 76.3 | 41% | 0.414 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.1 | -38.5 | -179.1 | -70.8 | 173.1 | 0 | 0 | 0 | 112 | I885 Q886 V892 K893 | I885-L889 HydrophobicContact CG2-CD1 4.09Å; I885-L889 HydrophobicContact CG2-CG 4.38Å; I885-L889 VanDerWaalsContact O-CG 3.31Å; I885-L889 WeakPolarHBondContact O-CG 3.49Å; I885-L889 PolarHBondContact O-N 2.91Å; Q886-L889 PolarHBondContact O-N 2.96Å; Q886-L889 VanDerWaalsContact O-N 3.14Å; L889-V892 PolarHBondContact O-N 3.44Å; L889-K893 WeakPolarHBondContact O-CB 3.3Å; L889-K893 VanDerWaalsContact O-CG 3.32Å; L889-K893 WeakPolarHBondContact O-CG 3.34Å; L889-K893 PolarHBondContact O-N 3.43Å |
| 890 | E | 89.3 | Confident | 85.2 | Confident | 111 Ų | 111 | 74.7 Ų | 74.7 | 52% | 0.519 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | 175.3 | -74.4 | -179.8 | -176.3 | 0 | 0 | 111.6 | Q886 F888 V892 K893 A894 | Q886-E890 WeakPolarHBondContact O-CG 3.47Å; Q886-E890 PolarHBondContact O-N 2.92Å; F888-E890 PolarHBondContact O-N 3.07Å; E890-V892 VanDerWaalsContact C-N 3.29Å; E890-V892 PolarHBondContact O-N 3.19Å; E890-K893 PolarHBondContact O-N 3.38Å; E890-A894 WeakPolarHBondContact O-CB 3.46Å; E890-A894 PolarHBondContact O-N 2.75Å |
| 891 | K | 86.3 | Confident | 85.3 | Confident | 96 Ų | 96 | 75.4 Ų | 75.4 | 42% | 0.417 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.7 | -39.7 | 174.2 | -76.5 | 168 | 177.9 | 160.7 | 0 | 112.4 | D887 F888 A894 L895 I912 | D887-K891 VanDerWaalsContact CG-NZ 3.27Å; D887-K891 WeakPolarHBondContact O-CB 3.45Å; D887-K891 WeakPolarHBondContact O-CD 3.07Å; D887-K891 VanDerWaalsContact O-CG 3.28Å; D887-K891 WeakPolarHBondContact O-CG 3.43Å; D887-K891 PolarHBondContact O-N 3.06Å; D887-K891 WeakPolarHBondContact OD1-CE 3.11Å; D887-K891 IonicContact OD1-NZ 3.45Å; D887-K891 PolarHBondContact OD1-NZ 2.81Å; D887-K891 VanDerWaalsContact OD1-NZ 3.1Å; D887-K891 IonicContact OD2-NZ 3.97Å; D887-K891 PolarHBondContact OD2-NZ 3.13Å; F888-K891 PolarHBondContact O-N 3.48Å; K891-A894 PolarHBondContact O-N 3.38Å; K891-L895 PolarHBondContact O-N 3.33Å; K891-I912 HydrophobicContact CB-CD1 4.42Å; K891-I912 HydrophobicContact CB-CG2 4.21Å |
| 892 | V | 87.1 | Confident | 85.2 | Confident | 43 Ų | 43 | 82.1 Ų | 82.1 | 26% | 0.261 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.6 | -40.7 | 177.1 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | F888 L889 E890 A894 L895 L909 I912 | F888-V892 HydrophobicContact CD1-CG2 4.42Å; F888-V892 HydrophobicContact CE1-CG2 4Å; F888-V892 HydrophobicContact CE2-CG2 4.14Å; F888-V892 HydrophobicContact CZ-CG2 3.82Å; F888-V892 VanDerWaalsContact O-CG2 3.3Å; F888-V892 WeakPolarHBondContact O-CG2 3.33Å; F888-V892 PolarHBondContact O-N 3.5Å; L889-V892 PolarHBondContact O-N 3.44Å; E890-V892 VanDerWaalsContact C-N 3.29Å; E890-V892 PolarHBondContact O-N 3.19Å; V892-A894 VanDerWaalsContact C-N 3.31Å; V892-A894 PolarHBondContact O-N 3.35Å; V892-L895 WeakPolarHBondContact O-CB 3.29Å; V892-L895 PolarHBondContact O-N 2.97Å; V892-L909 HydrophobicContact CG1-CD2 4.08Å; V892-L909 HydrophobicContact CG2-CD2 3.98Å; V892-I912 HydrophobicContact CG2-CG2 4.28Å |
| 893 | K | 87.2 | Confident | 85.1 | Confident | 176 Ų | 176 | 86.3 Ų | 86.3 | 77% | 0.765 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.4 | -31.7 | 175.4 | -74.9 | 175.1 | -174.7 | 175 | 0 | 112.9 | L889 E890 L895 | L889-K893 WeakPolarHBondContact O-CB 3.3Å; L889-K893 VanDerWaalsContact O-CG 3.32Å; L889-K893 WeakPolarHBondContact O-CG 3.34Å; L889-K893 PolarHBondContact O-N 3.43Å; E890-K893 PolarHBondContact O-N 3.38Å; K893-L895 PolarHBondContact O-N 3Å |
| 894 | A | 86.2 | Confident | 85 | Confident | 80 Ų | 80 | 86 Ų | 86 | 66% | 0.661 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -4.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | E890 K891 V892 | E890-A894 WeakPolarHBondContact O-CB 3.46Å; E890-A894 PolarHBondContact O-N 2.75Å; K891-A894 PolarHBondContact O-N 3.38Å; V892-A894 VanDerWaalsContact C-N 3.31Å; V892-A894 PolarHBondContact O-N 3.35Å |
| 895 | L | 86.3 | Confident | 84.8 | Confident | 25 Ų | 25 | 86 Ų | 86 | 13% | 0.131 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -65.8 | 127.3 | 176.6 | -78.4 | 162.8 | 0 | 0 | 0 | 110.6 | K891 V892 K893 V897 M900 E908 L909 I912 | K891-L895 PolarHBondContact O-N 3.33Å; V892-L895 WeakPolarHBondContact O-CB 3.29Å; V892-L895 PolarHBondContact O-N 2.97Å; K893-L895 PolarHBondContact O-N 3Å; L895-V897 HydrophobicContact CB-CG2 4.15Å; L895-V897 PolarHBondContact O-N 3.45Å; L895-M900 HydrophobicContact CD2-SD 4.22Å; L895-E908 HydrophobicContact CD2-CB 4.23Å; L895-E908 HydrophobicContact CD2-CG 3.56Å; L895-L909 HydrophobicContact CD1-CD2 4.46Å; L895-L909 HydrophobicContact CD1-CG 4.37Å; L895-I912 HydrophobicContact CD1-CD1 4Å; L895-I912 HydrophobicContact CD2-CD1 4.4Å; L895-I912 HydrophobicContact CG-CD1 4.38Å |
| 896 | P | 82.6 | Confident | 84.7 | Confident | 72 Ų | 72 | 88.6 Ų | 88.6 | 47% | 0.468 | 48% | 0.475 | S | S | . | . | trans | -80.1 | 69.2 | 177.7 | 34.8 | -36 | 0 | 0 | 0 | 110.4 | A898 T899 M900 | P896-A898 PolarHBondContact O-N 3.18Å; P896-A898 VanDerWaalsContact O-N 3.08Å; P896-T899 WeakPolarHBondContact CB-OG1 3.39Å; P896-T899 PolarHBondContact O-N 3.2Å; P896-T899 PolarHBondContact O-OG1 3.37Å; P896-T899 VanDerWaalsContact O-OG1 3.08Å; P896-M900 HydrophobicContact CG-CG 4.33Å; P896-M900 HydrophobicContact CG-SD 4.03Å; P896-M900 WeakPolarHBondContact O-CG 3.22Å; P896-M900 PolarHBondContact O-N 2.91Å | ||
| 897 | V | 80.3 | Confident | 84.6 | Confident | 92 Ų | 92 | 85.9 Ų | 85.9 | 56% | 0.558 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -56.9 | -28.9 | -175.4 | -173.4 | 0 | 0 | 0 | 0 | 112.2 | L895 T899 V905 | L895-V897 HydrophobicContact CB-CG2 4.15Å; L895-V897 PolarHBondContact O-N 3.45Å; V897-T899 VanDerWaalsContact C-N 3.27Å; V897-T899 PolarHBondContact O-N 3.24Å; V897-V905 HydrophobicContact CG1-CG2 4.39Å |
| 898 | A | 78.2 | Confident | 84.5 | Confident | 107 Ų | 107 | 85.8 Ų | 85.8 | 88% | 0.884 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -69.9 | -18.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | P896 | P896-A898 PolarHBondContact O-N 3.18Å; P896-A898 VanDerWaalsContact O-N 3.08Å |
| 899 | T | 80.1 | Confident | 84.3 | Confident | 117 Ų | 117 | 86.8 Ų | 86.8 | 72% | 0.718 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -114.6 | 0.4 | -177.4 | 58 | 0 | 0 | 0 | 0 | 113.5 | P896 V897 | P896-T899 WeakPolarHBondContact CB-OG1 3.39Å; P896-T899 PolarHBondContact O-N 3.2Å; P896-T899 PolarHBondContact O-OG1 3.37Å; P896-T899 VanDerWaalsContact O-OG1 3.08Å; V897-T899 VanDerWaalsContact C-N 3.27Å; V897-T899 PolarHBondContact O-N 3.24Å |
| 900 | M | 85.2 | Confident | 84.1 | Confident | 49 Ų | 49 | 91 Ų | 91 | 24% | 0.241 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -107.1 | 148 | -177.8 | -66.1 | 177.5 | 75.3 | 0 | 0 | 111 | L895 P896 E904 V905 E908 | L895-M900 HydrophobicContact CD2-SD 4.22Å; P896-M900 HydrophobicContact CG-CG 4.33Å; P896-M900 HydrophobicContact CG-SD 4.03Å; P896-M900 WeakPolarHBondContact O-CG 3.22Å; P896-M900 PolarHBondContact O-N 2.91Å; M900-E904 HydrophobicContact CB-CB 4.37Å; M900-E904 HydrophobicContact CE-CB 3.81Å; M900-V905 HydrophobicContact CB-CG2 3.57Å; M900-V905 HydrophobicContact SD-CG2 4.37Å; M900-E908 HydrophobicContact CE-CB 4.22Å |
| 901 | T | 84.5 | Confident | 84 | Confident | 83 Ų | 83 | 91.5 Ų | 91.5 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | trans | -75.9 | 158 | 170.6 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | E903 E904 V905 | T901-E903 PolarHBondContact O-N 2.93Å; T901-E904 PolarHBondContact N-OE2 3.08Å; T901-E904 PolarHBondContact O-N 2.93Å; T901-E904 VanDerWaalsContact O-N 3.09Å; T901-E904 WeakPolarHBondContact OG1-CG 3.35Å; T901-E904 PolarHBondContact OG1-OE2 3.05Å; T901-V905 WeakPolarHBondContact O-CG2 3.35Å; T901-V905 PolarHBondContact O-N 2.82Å | ||
| 902 | E | 81.6 | Confident | 84.1 | Confident | 141 Ų | 141 | 87.4 Ų | 87.4 | 66% | 0.659 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60 | -31.8 | -176.3 | -159 | -171.6 | 150.6 | 0 | 0 | 113 | K906 | E902-K906 WeakPolarHBondContact O-CG 3.49Å; E902-K906 PolarHBondContact O-N 2.91Å; E902-K906 VanDerWaalsContact O-N 3.15Å; E902-K906 WeakPolarHBondContact OE1-CE 3.35Å; E902-K906 IonicContact OE1-NZ 2.66Å; E902-K906 PolarHBondContact OE1-NZ 2.97Å |
| 903 | E | 82.5 | Confident | 84 | Confident | 162 Ų | 162 | 91.2 Ų | 91.2 | 76% | 0.757 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -71.8 | -39.9 | 175.3 | -67.8 | -157.5 | 161 | 0 | 0 | 112.7 | T901 K906 A907 | T901-E903 PolarHBondContact O-N 2.93Å; E903-K906 PolarHBondContact O-N 3.49Å; E903-A907 WeakPolarHBondContact O-CB 3.08Å; E903-A907 PolarHBondContact O-N 2.8Å |
| 904 | E | 81.4 | Confident | 83.9 | Confident | 100 Ų | 100 | 89.2 Ų | 89.2 | 47% | 0.467 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 177 | -71.1 | 165.7 | 156 | 0 | 0 | 111.3 | M900 T901 A907 E908 | M900-E904 HydrophobicContact CB-CB 4.37Å; M900-E904 HydrophobicContact CE-CB 3.81Å; T901-E904 PolarHBondContact N-OE2 3.08Å; T901-E904 PolarHBondContact O-N 2.93Å; T901-E904 VanDerWaalsContact O-N 3.09Å; T901-E904 WeakPolarHBondContact OG1-CG 3.35Å; T901-E904 PolarHBondContact OG1-OE2 3.05Å; E904-A907 PolarHBondContact O-N 2.81Å; E904-E908 WeakPolarHBondContact O-CB 3.47Å; E904-E908 PolarHBondContact O-N 2.72Å |
| 905 | V | 83.5 | Confident | 83.9 | Confident | 24 Ų | 24 | 89.1 Ų | 89.1 | 15% | 0.145 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 175 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | V897 M900 T901 L909 | V897-V905 HydrophobicContact CG1-CG2 4.39Å; M900-V905 HydrophobicContact CB-CG2 3.57Å; M900-V905 HydrophobicContact SD-CG2 4.37Å; T901-V905 WeakPolarHBondContact O-CG2 3.35Å; T901-V905 PolarHBondContact O-N 2.82Å; V905-L909 HydrophobicContact CG1-CD1 3.92Å; V905-L909 WeakPolarHBondContact O-CB 3.33Å; V905-L909 WeakPolarHBondContact O-CG 3.4Å; V905-L909 PolarHBondContact O-N 2.89Å |
| 906 | K | 84.6 | Confident | 83.8 | Confident | 102 Ų | 102 | 89 Ų | 89 | 44% | 0.443 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 177.2 | -77.4 | 173.7 | -172.9 | 163.5 | 0 | 112.4 | E902 E903 R910 | E902-K906 WeakPolarHBondContact O-CG 3.49Å; E902-K906 PolarHBondContact O-N 2.91Å; E902-K906 VanDerWaalsContact O-N 3.15Å; E902-K906 WeakPolarHBondContact OE1-CE 3.35Å; E902-K906 IonicContact OE1-NZ 2.66Å; E902-K906 PolarHBondContact OE1-NZ 2.97Å; E903-K906 PolarHBondContact O-N 3.49Å; K906-R910 WeakPolarHBondContact O-CG 3.39Å; K906-R910 PolarHBondContact O-N 2.95Å; K906-R910 VanDerWaalsContact O-N 3.14Å |
| 907 | A | 84.7 | Confident | 83.9 | Confident | 57 Ų | 57 | 89.7 Ų | 89.7 | 47% | 0.471 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66 | -45.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E903 E904 R910 R911 | E903-A907 WeakPolarHBondContact O-CB 3.08Å; E903-A907 PolarHBondContact O-N 2.8Å; E904-A907 PolarHBondContact O-N 2.81Å; A907-R910 WeakPolarHBondContact O-CB 3.48Å; A907-R910 PolarHBondContact O-N 3.21Å; A907-R911 PolarHBondContact O-N 3.41Å |
| 908 | E | 84.3 | Confident | 84.1 | Confident | 52 Ų | 52 | 89.2 Ų | 89.2 | 24% | 0.243 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -70.9 | -38.6 | -178.1 | -165.1 | 58.7 | -162 | 0 | 0 | 112 | L895 M900 E904 R910 R911 I912 | L895-E908 HydrophobicContact CD2-CB 4.23Å; L895-E908 HydrophobicContact CD2-CG 3.56Å; M900-E908 HydrophobicContact CE-CB 4.22Å; E904-E908 WeakPolarHBondContact O-CB 3.47Å; E904-E908 PolarHBondContact O-N 2.72Å; E908-R910 VanDerWaalsContact C-N 3.31Å; E908-R910 PolarHBondContact O-N 3.42Å; E908-R911 WeakPolarHBondContact O-CB 3.4Å; E908-R911 PolarHBondContact O-N 3.42Å; E908-R911 IonicContact OE1-CZ 3.15Å; E908-R911 IonicContact OE1-NE 3.95Å; E908-R911 PolarHBondContact OE1-NE 3.19Å; E908-R911 IonicContact OE1-NH2 2.89Å; E908-R911 PolarHBondContact OE1-NH2 3.48Å; E908-R911 IonicContact OE2-NE 3.93Å; E908-R911 PolarHBondContact OE2-NE 3.09Å; E908-R911 VanDerWaalsContact OE2-NE 3.15Å; E908-I912 HydrophobicContact CG-CD1 4.17Å; E908-I912 VanDerWaalsContact O-CG1 3.28Å; E908-I912 WeakPolarHBondContact O-CG1 3.48Å; E908-I912 PolarHBondContact O-N 3.33Å |
| 909 | L | 85.3 | Confident | 84.3 | Confident | 54 Ų | 54 | 89 Ų | 89 | 28% | 0.283 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.2 | -39.2 | 170.5 | -86.7 | 164.8 | 0 | 0 | 0 | 112.6 | V892 L895 V905 K913 | V892-L909 HydrophobicContact CG1-CD2 4.08Å; V892-L909 HydrophobicContact CG2-CD2 3.98Å; L895-L909 HydrophobicContact CD1-CD2 4.46Å; L895-L909 HydrophobicContact CD1-CG 4.37Å; V905-L909 HydrophobicContact CG1-CD1 3.92Å; V905-L909 WeakPolarHBondContact O-CB 3.33Å; V905-L909 WeakPolarHBondContact O-CG 3.4Å; V905-L909 PolarHBondContact O-N 2.89Å; L909-K913 WeakPolarHBondContact O-CB 3.5Å; L909-K913 VanDerWaalsContact O-CG 3.27Å; L909-K913 WeakPolarHBondContact O-CG 3.46Å; L909-K913 PolarHBondContact O-N 2.9Å |
| 910 | R | 85.9 | Confident | 84.4 | Confident | 167 Ų | 167 | 89.9 Ų | 89.9 | 63% | 0.63 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -65.1 | -41.1 | 175.1 | -76.7 | 179.4 | -159.9 | 164.5 | 6.3 | 111.3 | K906 A907 E908 K913 Q914 | K906-R910 WeakPolarHBondContact O-CG 3.39Å; K906-R910 PolarHBondContact O-N 2.95Å; K906-R910 VanDerWaalsContact O-N 3.14Å; A907-R910 WeakPolarHBondContact O-CB 3.48Å; A907-R910 PolarHBondContact O-N 3.21Å; E908-R910 VanDerWaalsContact C-N 3.31Å; E908-R910 PolarHBondContact O-N 3.42Å; R910-K913 PolarHBondContact O-N 2.73Å; R910-Q914 WeakPolarHBondContact O-CB 3.46Å; R910-Q914 WeakPolarHBondContact O-CG 3.43Å; R910-Q914 PolarHBondContact O-N 2.71Å |
| 911 | R | 86.8 | Confident | 84.4 | Confident | 123 Ų | 123 | 88.2 Ų | 88.2 | 46% | 0.464 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.9 | -51.6 | 177.3 | -166.9 | -176.8 | 77 | 85.1 | -2.3 | 111.2 | A907 E908 K913 Q914 D915 | A907-R911 PolarHBondContact O-N 3.41Å; E908-R911 WeakPolarHBondContact O-CB 3.4Å; E908-R911 PolarHBondContact O-N 3.42Å; E908-R911 IonicContact OE1-CZ 3.15Å; E908-R911 IonicContact OE1-NE 3.95Å; E908-R911 PolarHBondContact OE1-NE 3.19Å; E908-R911 IonicContact OE1-NH2 2.89Å; E908-R911 PolarHBondContact OE1-NH2 3.48Å; E908-R911 IonicContact OE2-NE 3.93Å; E908-R911 PolarHBondContact OE2-NE 3.09Å; E908-R911 VanDerWaalsContact OE2-NE 3.15Å; R911-K913 VanDerWaalsContact C-N 3.29Å; R911-K913 PolarHBondContact O-N 2.87Å; R911-Q914 PolarHBondContact O-N 3Å; R911-Q914 VanDerWaalsContact O-N 3.12Å; R911-D915 IonicContact NH1-OD2 3.88Å; R911-D915 PolarHBondContact NH1-OD2 3.49Å; R911-D915 PolarHBondContact O-N 3.07Å |
| 912 | I | 87.1 | Confident | 84.3 | Confident | 9 Ų | 9 | 88.1 Ų | 88.1 | 5% | 0.046 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 179.9 | -60.3 | 166 | 0 | 0 | 0 | 111 | F888 K891 V892 L895 E908 L916 | F888-I912 HydrophobicContact CD2-CG2 3.5Å; F888-I912 VanDerWaalsContact CD2-CG2 3.5Å; F888-I912 HydrophobicContact CE2-CB 4.39Å; F888-I912 HydrophobicContact CE2-CG2 3.68Å; F888-I912 HydrophobicContact CG-CG2 4.44Å; K891-I912 HydrophobicContact CB-CD1 4.42Å; K891-I912 HydrophobicContact CB-CG2 4.21Å; V892-I912 HydrophobicContact CG2-CG2 4.28Å; L895-I912 HydrophobicContact CD1-CD1 4Å; L895-I912 HydrophobicContact CD2-CD1 4.4Å; L895-I912 HydrophobicContact CG-CD1 4.38Å; E908-I912 HydrophobicContact CG-CD1 4.17Å; E908-I912 VanDerWaalsContact O-CG1 3.28Å; E908-I912 WeakPolarHBondContact O-CG1 3.48Å; E908-I912 PolarHBondContact O-N 3.33Å; I912-L916 PolarHBondContact O-N 2.88Å |
| 913 | K | 86.4 | Confident | 84.3 | Confident | 123 Ų | 123 | 83 Ų | 83 | 54% | 0.535 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 172.9 | -76.8 | -178.9 | 179.5 | -170.7 | 0 | 112.7 | F888 L909 R910 R911 D915 L916 V917 | F888-K913 HydrophobicContact CE2-CB 4.47Å; F888-K913 HydrophobicContact CE2-CG 3.72Å; F888-K913 HydrophobicContact CZ-CG 3.94Å; L909-K913 WeakPolarHBondContact O-CB 3.5Å; L909-K913 VanDerWaalsContact O-CG 3.27Å; L909-K913 WeakPolarHBondContact O-CG 3.46Å; L909-K913 PolarHBondContact O-N 2.9Å; R910-K913 PolarHBondContact O-N 2.73Å; R911-K913 VanDerWaalsContact C-N 3.29Å; R911-K913 PolarHBondContact O-N 2.87Å; K913-D915 VanDerWaalsContact C-N 3.33Å; K913-L916 PolarHBondContact O-N 3.12Å; K913-V917 WeakPolarHBondContact O-CG2 3.31Å; K913-V917 PolarHBondContact O-N 3.08Å |
| 914 | Q | 85.6 | Confident | 84.3 | Confident | 135 Ų | 135 | 75.6 Ų | 75.6 | 63% | 0.631 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.5 | -40 | 176.8 | -77.3 | 174.9 | -11.2 | 0 | 0 | 111.5 | R910 R911 L916 V917 A918 | R910-Q914 WeakPolarHBondContact O-CB 3.46Å; R910-Q914 WeakPolarHBondContact O-CG 3.43Å; R910-Q914 PolarHBondContact O-N 2.71Å; R911-Q914 PolarHBondContact O-N 3Å; R911-Q914 VanDerWaalsContact O-N 3.12Å; Q914-L916 VanDerWaalsContact C-N 3.28Å; Q914-L916 PolarHBondContact O-N 2.69Å; Q914-V917 PolarHBondContact O-N 2.87Å; Q914-A918 VanDerWaalsContact O-CB 3.25Å; Q914-A918 WeakPolarHBondContact O-CB 3.43Å; Q914-A918 PolarHBondContact O-N 3.39Å |
| 915 | D | 84.9 | Confident | 84.4 | Confident | 78 Ų | 78 | 73.5 Ų | 73.5 | 42% | 0.417 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62 | -35.7 | 175.6 | -72.6 | -10.9 | 0 | 0 | 0 | 111.9 | R911 K913 | R911-D915 IonicContact NH1-OD2 3.88Å; R911-D915 PolarHBondContact NH1-OD2 3.49Å; R911-D915 PolarHBondContact O-N 3.07Å; K913-D915 VanDerWaalsContact C-N 3.33Å |
| 916 | L | 84.9 | Confident | 84.3 | Confident | 23 Ų | 23 | 77.3 Ų | 77.3 | 12% | 0.12 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.5 | -47.2 | 175.3 | -172.5 | 67.7 | 0 | 0 | 0 | 111.7 | L884 F888 I912 K913 Q914 A918 K919 I924 | L884-L916 HydrophobicContact CB-CD1 3.95Å; L884-L916 WeakPolarHBondContact O-CD1 3.46Å; F888-L916 HydrophobicContact CB-CD1 4.15Å; F888-L916 HydrophobicContact CB-CD2 4.14Å; F888-L916 HydrophobicContact CD1-CD2 4.5Å; F888-L916 HydrophobicContact CD2-CB 4.15Å; F888-L916 HydrophobicContact CD2-CD2 3.9Å; F888-L916 HydrophobicContact CG-CD2 3.93Å; I912-L916 PolarHBondContact O-N 2.88Å; K913-L916 PolarHBondContact O-N 3.12Å; Q914-L916 VanDerWaalsContact C-N 3.28Å; Q914-L916 PolarHBondContact O-N 2.69Å; L916-A918 VanDerWaalsContact C-N 3.31Å; L916-A918 PolarHBondContact O-N 3.03Å; L916-K919 PolarHBondContact O-N 3.43Å; L916-I924 HydrophobicContact CD1-CD1 3.78Å; L916-I924 HydrophobicContact CD2-CG2 4.37Å; L916-I924 HydrophobicContact CG-CD1 4.2Å; L916-I924 HydrophobicContact CG-CG2 4.31Å |
| 917 | V | 83.6 | Confident | 84.1 | Confident | 86 Ų | 86 | 74.5 Ų | 74.5 | 52% | 0.521 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.7 | -34.9 | 179.6 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | K913 Q914 K919 N920 L928 | K913-V917 WeakPolarHBondContact O-CG2 3.31Å; K913-V917 PolarHBondContact O-N 3.08Å; Q914-V917 PolarHBondContact O-N 2.87Å; V917-K919 PolarHBondContact O-N 3.5Å; V917-N920 PolarHBondContact O-N 2.9Å; V917-L928 HydrophobicContact CG2-CD1 3.85Å |
| 918 | A | 84.8 | Confident | 83.9 | Confident | 82 Ų | 82 | 75.8 Ų | 75.8 | 68% | 0.678 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -20.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q914 L916 N920 | Q914-A918 VanDerWaalsContact O-CB 3.25Å; Q914-A918 WeakPolarHBondContact O-CB 3.43Å; Q914-A918 PolarHBondContact O-N 3.39Å; L916-A918 VanDerWaalsContact C-N 3.31Å; L916-A918 PolarHBondContact O-N 3.03Å; A918-N920 PolarHBondContact O-N 3.47Å |
| 919 | K | 82.4 | Confident | 83.7 | Confident | 103 Ų | 103 | 76.6 Ų | 76.6 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -9.3 | 175.8 | -66.2 | -175.6 | 178.7 | -177.2 | 0 | 113.3 | L884 D887 L916 V917 N921 | L884-K919 HydrophobicContact CD1-CB 4.01Å; L884-K919 HydrophobicContact CD1-CD 3.66Å; L884-K919 HydrophobicContact CD1-CG 4.47Å; L884-K919 HydrophobicContact CD2-CD 3.27Å; L884-K919 HydrophobicContact CG-CD 4.03Å; D887-K919 IonicContact OD2-NZ 2.81Å; L916-K919 PolarHBondContact O-N 3.43Å; V917-K919 PolarHBondContact O-N 3.5Å; K919-N921 PolarHBondContact O-N 3.36Å; K919-N921 VanDerWaalsContact O-N 3.07Å |
| 920 | N | 82.2 | Confident | 83.1 | Confident | 134 Ų | 134 | 79.6 Ų | 79.6 | 72% | 0.717 | 41% | 0.405 | S | S | * | . | trans | 46.9 | 40.3 | 170.5 | -156 | 39.4 | 0 | 0 | 0 | 114.4 | V917 A918 | V917-N920 PolarHBondContact O-N 2.9Å; A918-N920 PolarHBondContact O-N 3.47Å | ||
| 921 | N | 85.6 | Confident | 82.2 | Confident | 14 Ų | 14 | 76.3 Ų | 76.3 | 8% | 0.075 | 41% | 0.406 | C | S | . | . | trans | -80.5 | 131.9 | 176.6 | 177.4 | -81 | 0 | 0 | 0 | 109.2 | D877 L884 K919 Y923 I924 S925 | D877-N921 PolarHBondContact O-ND2 3.01Å; D877-N921 PolarHBondContact O-OD1 2.65Å; L884-N921 HydrophobicContact CD1-CB 4.38Å; K919-N921 PolarHBondContact O-N 3.36Å; K919-N921 VanDerWaalsContact O-N 3.07Å; N921-Y923 PolarHBondContact O-N 3.3Å; N921-Y923 VanDerWaalsContact OD1-CB 3.3Å; N921-Y923 WeakPolarHBondContact OD1-CB 3.03Å; N921-Y923 PolarHBondContact OD1-N 3.31Å; N921-I924 HydrophobicContact CB-CB 4.35Å; N921-I924 HydrophobicContact CB-CD1 4Å; N921-I924 HydrophobicContact CB-CG1 4.12Å; N921-I924 PolarHBondContact O-N 3.05Å; N921-I924 PolarHBondContact OD1-N 3.44Å; N921-I924 VanDerWaalsContact OD1-N 3.13Å; N921-S925 PolarHBondContact O-N 3.07Å; N921-S925 PolarHBondContact O-OG 2.85Å | ||
| 922 | T | 82.8 | Confident | 80.8 | Confident | 82 Ų | 82 | 73.1 Ų | 73.1 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.5 | -43.1 | -177.7 | 29.5 | 0 | 0 | 0 | 0 | 112.1 | D877 S925 E926 | D877-T922 PolarHBondContact OD2-OG1 3.36Å; T922-S925 WeakPolarHBondContact O-CB 3.31Å; T922-S925 PolarHBondContact O-N 2.87Å; T922-E926 PolarHBondContact O-N 2.92Å; T922-E926 VanDerWaalsContact O-N 3.07Å |
| 923 | Y | 81.6 | Confident | 78.7 | Confident | 32 Ų | 32 | 78.3 Ų | 78.3 | 13% | 0.125 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.3 | -45 | 178.5 | 178 | -112.6 | 0 | 0 | 0 | 112.5 | K878 E882 I885 N921 S925 E926 I927 | K878-Y923 HydrophobicContact CB-CD2 4.26Å; K878-Y923 HydrophobicContact CB-CG 4.24Å; K878-Y923 HydrophobicContact CD-CE2 4.22Å; K878-Y923 HydrophobicContact CG-CD1 4.19Å; K878-Y923 HydrophobicContact CG-CD2 3.98Å; K878-Y923 HydrophobicContact CG-CE1 4.03Å; K878-Y923 HydrophobicContact CG-CE2 3.85Å; K878-Y923 HydrophobicContact CG-CG 4.16Å; E882-Y923 HydrophobicContact CG-CE1 3.89Å; I885-Y923 HydrophobicContact CD1-CE1 4.43Å; N921-Y923 PolarHBondContact O-N 3.3Å; N921-Y923 VanDerWaalsContact OD1-CB 3.3Å; N921-Y923 WeakPolarHBondContact OD1-CB 3.03Å; N921-Y923 PolarHBondContact OD1-N 3.31Å; Y923-S925 VanDerWaalsContact C-N 3.29Å; Y923-S925 PolarHBondContact O-N 3.07Å; Y923-E926 WeakPolarHBondContact O-CB 3.35Å; Y923-E926 PolarHBondContact O-N 2.93Å; Y923-I927 HydrophobicContact CD1-CD1 3.99Å; Y923-I927 HydrophobicContact CE1-CD1 3.54Å; Y923-I927 HydrophobicContact CE2-CD1 4.23Å; Y923-I927 PolarHBondContact O-N 3.4Å; Y923-I927 VanDerWaalsContact O-N 3.09Å |
| 924 | I | 82.5 | Confident | 76.4 | Confident | 7 Ų | 7 | 78.8 Ų | 78.8 | 4% | 0.036 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 175.6 | -61.7 | 178.7 | 0 | 0 | 0 | 111.2 | L884 I885 L916 N921 E926 I927 L928 | L884-I924 HydrophobicContact CB-CD1 3.81Å; L884-I924 HydrophobicContact CD1-CD1 3.95Å; I885-I924 HydrophobicContact CD1-CG1 4.28Å; I885-I924 HydrophobicContact CG1-CD1 4.42Å; I885-I924 HydrophobicContact CG1-CG1 4.28Å; L916-I924 HydrophobicContact CD1-CD1 3.78Å; L916-I924 HydrophobicContact CD2-CG2 4.37Å; L916-I924 HydrophobicContact CG-CD1 4.2Å; L916-I924 HydrophobicContact CG-CG2 4.31Å; N921-I924 HydrophobicContact CB-CB 4.35Å; N921-I924 HydrophobicContact CB-CD1 4Å; N921-I924 HydrophobicContact CB-CG1 4.12Å; N921-I924 PolarHBondContact O-N 3.05Å; N921-I924 PolarHBondContact OD1-N 3.44Å; N921-I924 VanDerWaalsContact OD1-N 3.13Å; I924-E926 VanDerWaalsContact C-N 3.28Å; I924-E926 PolarHBondContact O-N 2.82Å; I924-I927 PolarHBondContact O-N 2.83Å; I924-L928 HydrophobicContact CG2-CD1 3.91Å; I924-L928 HydrophobicContact CG2-CG 4.32Å; I924-L928 WeakPolarHBondContact O-CB 3.24Å; I924-L928 VanDerWaalsContact O-CG 3.29Å; I924-L928 WeakPolarHBondContact O-CG 3.34Å; I924-L928 PolarHBondContact O-N 3.12Å |
| 925 | S | 83.1 | Confident | 74.1 | Confident | 57 Ų | 57 | 81.9 Ų | 81.9 | 40% | 0.399 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.1 | -36.8 | 179 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | N921 T922 Y923 A929 | N921-S925 PolarHBondContact O-N 3.07Å; N921-S925 PolarHBondContact O-OG 2.85Å; T922-S925 WeakPolarHBondContact O-CB 3.31Å; T922-S925 PolarHBondContact O-N 2.87Å; Y923-S925 VanDerWaalsContact C-N 3.29Å; Y923-S925 PolarHBondContact O-N 3.07Å; S925-A929 WeakPolarHBondContact O-CB 3.44Å; S925-A929 PolarHBondContact O-N 3.27Å |
| 926 | E | 81.3 | Confident | 71.6 | Confident | 103 Ų | 103 | 84.5 Ų | 84.5 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.2 | -45.8 | 175.9 | -159.9 | -179.1 | 154.9 | 0 | 0 | 111.8 | T922 Y923 I924 L928 A929 R930 | T922-E926 PolarHBondContact O-N 2.92Å; T922-E926 VanDerWaalsContact O-N 3.07Å; Y923-E926 WeakPolarHBondContact O-CB 3.35Å; Y923-E926 PolarHBondContact O-N 2.93Å; I924-E926 VanDerWaalsContact C-N 3.28Å; I924-E926 PolarHBondContact O-N 2.82Å; E926-L928 VanDerWaalsContact C-N 3.34Å; E926-L928 PolarHBondContact O-N 2.85Å; E926-A929 WeakPolarHBondContact O-CB 3.47Å; E926-A929 PolarHBondContact O-N 3.19Å; E926-R930 WeakPolarHBondContact O-CG 3.44Å; E926-R930 PolarHBondContact O-N 3.5Å; E926-R930 IonicContact OE1-CZ 2.66Å; E926-R930 IonicContact OE1-NH2 3.84Å; E926-R930 PolarHBondContact OE1-NH2 3.13Å |
| 927 | I | 80.6 | Confident | 69.2 | Low | 43 Ų | 43 | 91.7 Ų | 91.7 | 22% | 0.221 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -58.1 | -47 | 174.5 | -66.4 | 168.2 | 0 | 0 | 0 | 110.8 | I885 Y923 I924 A929 R930 C931 | I885-I927 HydrophobicContact CD1-CD1 3.69Å; Y923-I927 HydrophobicContact CD1-CD1 3.99Å; Y923-I927 HydrophobicContact CE1-CD1 3.54Å; Y923-I927 HydrophobicContact CE2-CD1 4.23Å; Y923-I927 PolarHBondContact O-N 3.4Å; Y923-I927 VanDerWaalsContact O-N 3.09Å; I924-I927 PolarHBondContact O-N 2.83Å; I927-A929 VanDerWaalsContact C-N 3.29Å; I927-A929 PolarHBondContact O-N 3.21Å; I927-R930 WeakPolarHBondContact O-CB 3.43Å; I927-R930 PolarHBondContact O-N 3.47Å; I927-R930 VanDerWaalsContact O-N 3.15Å; I927-C931 PolarHBondContact O-N 3.12Å; I927-C931 VanDerWaalsContact O-N 3.1Å; I927-C931 PolarHBondContact O-SG 3.02Å |
| 928 | L | 81.1 | Confident | 68.4 | Low | 84 Ų | 84 | 92 Ų | 92 | 44% | 0.44 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.5 | -34.2 | 179.3 | -71.3 | 172.9 | 0 | 0 | 0 | 112.4 | V917 I924 E926 R930 C931 A932 | V917-L928 HydrophobicContact CG2-CD1 3.85Å; I924-L928 HydrophobicContact CG2-CD1 3.91Å; I924-L928 HydrophobicContact CG2-CG 4.32Å; I924-L928 WeakPolarHBondContact O-CB 3.24Å; I924-L928 VanDerWaalsContact O-CG 3.29Å; I924-L928 WeakPolarHBondContact O-CG 3.34Å; I924-L928 PolarHBondContact O-N 3.12Å; E926-L928 VanDerWaalsContact C-N 3.34Å; E926-L928 PolarHBondContact O-N 2.85Å; L928-R930 VanDerWaalsContact C-N 3.33Å; L928-C931 PolarHBondContact O-N 3.1Å; L928-A932 PolarHBondContact O-N 3.36Å |
| 929 | A | 79.2 | Confident | 67.6 | Low | 70 Ų | 70 | 92.5 Ų | 92.5 | 58% | 0.579 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.6 | -35.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | S925 E926 I927 A932 | S925-A929 WeakPolarHBondContact O-CB 3.44Å; S925-A929 PolarHBondContact O-N 3.27Å; E926-A929 WeakPolarHBondContact O-CB 3.47Å; E926-A929 PolarHBondContact O-N 3.19Å; I927-A929 VanDerWaalsContact C-N 3.29Å; I927-A929 PolarHBondContact O-N 3.21Å; A929-A932 WeakPolarHBondContact O-CB 3.39Å; A929-A932 PolarHBondContact O-N 2.7Å |
| 930 | R | 73.1 | Confident | 66.8 | Low | 117 Ų | 117 | 91.9 Ų | 91.9 | 44% | 0.442 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69 | -33.8 | 174.1 | -64 | 178.2 | -167.5 | 169.8 | 7.4 | 112.8 | E854 E926 I927 L928 A932 | E854-R930 IonicContact OE1-CZ 2.72Å; E854-R930 IonicContact OE1-NH1 3.94Å; E854-R930 PolarHBondContact OE1-NH1 3.14Å; E854-R930 IonicContact OE1-NH2 2.7Å; E926-R930 WeakPolarHBondContact O-CG 3.44Å; E926-R930 PolarHBondContact O-N 3.5Å; E926-R930 IonicContact OE1-CZ 2.66Å; E926-R930 IonicContact OE1-NH2 3.84Å; E926-R930 PolarHBondContact OE1-NH2 3.13Å; I927-R930 WeakPolarHBondContact O-CB 3.43Å; I927-R930 PolarHBondContact O-N 3.47Å; I927-R930 VanDerWaalsContact O-N 3.15Å; L928-R930 VanDerWaalsContact C-N 3.33Å; R930-A932 VanDerWaalsContact C-N 3.29Å; R930-A932 PolarHBondContact O-N 2.85Å |
| 931 | C | 66.8 | Low | 65.9 | Low | 97 Ų | 97 | 89.4 Ų | 89.4 | 66% | 0.655 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -6.9 | 177.5 | -63.9 | 0 | 0 | 0 | 0 | 114.5 | I927 L928 | I927-C931 PolarHBondContact O-N 3.12Å; I927-C931 VanDerWaalsContact O-N 3.1Å; I927-C931 PolarHBondContact O-SG 3.02Å; L928-C931 PolarHBondContact O-N 3.1Å |
| 932 | A | 58.3 | Low | 64.6 | Low | 56 Ų | 56 | 94.1 Ų | 94.1 | 46% | 0.463 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -67.3 | 131 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | L928 A929 R930 V934 | L928-A932 PolarHBondContact O-N 3.36Å; A929-A932 WeakPolarHBondContact O-CB 3.39Å; A929-A932 PolarHBondContact O-N 2.7Å; R930-A932 VanDerWaalsContact C-N 3.29Å; R930-A932 PolarHBondContact O-N 2.85Å; A932-V934 PolarHBondContact O-N 3.44Å; A932-V934 VanDerWaalsContact O-N 3.13Å |
| 933 | P | 42 | Very low | 63.4 | Low | 119 Ų | 119 | 94.9 Ų | 94.9 | 77% | 0.773 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -59 | 124.8 | 177.8 | 23.1 | -31.1 | 0 | 0 | 0 | 109 | K935 | P933-K935 PolarHBondContact O-N 3.41Š|
| 934 | V | 38.6 | Very low | 62.1 | Low | 133 Ų | 133 | 99.4 Ų | 99.4 | 81% | 0.806 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 116.9 | 170.3 | 178.9 | 0 | 0 | 0 | 0 | 106.8 | A932 T936 | A932-V934 PolarHBondContact O-N 3.44Å; A932-V934 VanDerWaalsContact O-N 3.13Å; V934-T936 VanDerWaalsContact C-N 3.31Å; V934-T936 PolarHBondContact O-N 3.19Å |
| 935 | K | 37.1 | Very low | 60.5 | Low | 200 Ų | 200 | 106.5 Ų | 106.5 | 87% | 0.87 | 64% | 0.644 | S | S | * | * | trans | -62.8 | 101.9 | 168.2 | -76.8 | -176.9 | 178.4 | 177.9 | 0 | 105.9 | P933 A937 | P933-K935 PolarHBondContact O-N 3.41Å; K935-A937 PolarHBondContact O-N 3.41Å | ||
| 936 | T | 33.1 | Very low | 58.7 | Low | 133 Ų | 133 | 110.7 Ų | 110.7 | 82% | 0.816 | 66% | 0.664 | S | S | * | * | trans | -54.7 | 113.4 | 164.6 | 43.8 | 0 | 0 | 0 | 0 | 107.1 | V934 | V934-T936 VanDerWaalsContact C-N 3.31Å; V934-T936 PolarHBondContact O-N 3.19Å | ||
| 937 | A | 33.1 | Very low | 56.6 | Low | 173 Ų | 173 | 111.4 Ų | 111.4 | 100% | 1.43 | 68% | 0.681 | S | S | * | * | trans | -77.2 | 0 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | K935 | K935-A937 PolarHBondContact O-N 3.41Š|
Retrieved 937 of 937 residues in 389.3 ms
(Link to these results)