| 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 | 27.8 | Very low | 62.1 | Low | 228 Ų | 228 | 79.7 Ų | 79.7 | 100% | 1.123 | 46% | 0.462 | S | S | * | . | 0 | 104.5 | 0 | -70.2 | 176.8 | 179.3 | 0 | 0 | 107.1 | T3 | M1-T3 HydrophobicContact CB-CG2 4.39Å; M1-T3 PolarHBondContact O-N 3.45Å | |||
| 2 | V | 33 | Very low | 63.5 | Low | 128 Ų | 128 | 74.9 Ų | 74.9 | 78% | 0.776 | 44% | 0.435 | S | S | * | . | trans | -74.6 | 97.4 | 171.4 | 179.1 | 0 | 0 | 0 | 0 | 106.1 | G4 | V2-G4 PolarHBondContact O-N 3.46Š| ||
| 3 | T | 34.6 | Very low | 64.7 | Low | 135 Ų | 135 | 69.4 Ų | 69.4 | 83% | 0.828 | 40% | 0.402 | S | S | * | . | trans | -77.6 | 44.3 | 176.7 | 51.2 | 0 | 0 | 0 | 0 | 111.2 | M1 | M1-T3 HydrophobicContact CB-CG2 4.39Å; M1-T3 PolarHBondContact O-N 3.45Å | ||
| 4 | G | 51.7 | Low | 65.5 | Low | 35 Ų | 35 | 67.8 Ų | 67.8 | 36% | 0.361 | 41% | 0.408 | S | S | . | . | trans | -80 | 138.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V2 A6 | V2-G4 PolarHBondContact O-N 3.46Å; G4-A6 PolarHBondContact O-N 2.92Å | ||
| 5 | N | 71 | Confident | 66.3 | Low | 100 Ų | 100 | 65.5 Ų | 65.5 | 54% | 0.535 | 39% | 0.393 | S | S | . | . | trans | -45.9 | 133.8 | 171 | -177.2 | 1 | 0 | 0 | 0 | 109.8 | E7 S8 S9 | N5-E7 PolarHBondContact O-N 3.23Å; N5-E7 VanDerWaalsContact O-N 3.08Å; N5-E7 PolarHBondContact OD1-N 2.83Å; N5-S8 PolarHBondContact O-N 3.41Å; N5-S8 PolarHBondContact O-OG 3.44Å; N5-S9 PolarHBondContact O-N 3.04Å | ||
| 6 | A | 74.7 | Confident | 67.1 | Low | 36 Ų | 36 | 65.9 Ų | 65.9 | 30% | 0.298 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -53.4 | -33.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G4 S9 L10 L24 | G4-A6 PolarHBondContact O-N 2.92Å; A6-S9 PolarHBondContact O-N 3.45Å; A6-L10 WeakPolarHBondContact O-CG 3.27Å; A6-L10 PolarHBondContact O-N 3.15Å; A6-L24 HydrophobicContact CB-CD2 3.75Å |
| 7 | E | 76.8 | Confident | 67.7 | Low | 48 Ų | 48 | 67.2 Ų | 67.2 | 22% | 0.224 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 174.8 | -161.7 | -164.3 | 137.1 | 0 | 0 | 113 | N5 S9 L10 K11 I20 L24 | N5-E7 PolarHBondContact O-N 3.23Å; N5-E7 VanDerWaalsContact O-N 3.08Å; N5-E7 PolarHBondContact OD1-N 2.83Å; E7-S9 VanDerWaalsContact C-N 3.32Å; E7-S9 PolarHBondContact O-N 2.81Å; E7-L10 PolarHBondContact O-N 3.07Å; E7-K11 WeakPolarHBondContact O-CG 3.38Å; E7-K11 PolarHBondContact O-N 3.01Å; E7-K11 WeakPolarHBondContact OE1-CE 3.42Å; E7-K11 IonicContact OE1-NZ 3.88Å; E7-K11 PolarHBondContact OE1-NZ 2.72Å; E7-I20 HydrophobicContact CG-CG2 3.76Å; E7-L24 HydrophobicContact CB-CD1 4.35Å; E7-L24 HydrophobicContact CG-CD1 4.39Å |
| 8 | S | 75.4 | Confident | 68.2 | Low | 59 Ų | 59 | 72.6 Ų | 72.6 | 41% | 0.413 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69.3 | -33.3 | 179.6 | 65.5 | 0 | 0 | 0 | 0 | 112 | N5 K11 | N5-S8 PolarHBondContact O-N 3.41Å; N5-S8 PolarHBondContact O-OG 3.44Å; S8-K11 PolarHBondContact O-N 2.82Å |
| 9 | S | 77.3 | Confident | 68.7 | Low | 21 Ų | 21 | 72.5 Ų | 72.5 | 15% | 0.147 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66 | -41.3 | 173.6 | -57 | 0 | 0 | 0 | 0 | 111.3 | N5 A6 E7 K11 V12 V37 | N5-S9 PolarHBondContact O-N 3.04Å; A6-S9 PolarHBondContact O-N 3.45Å; E7-S9 VanDerWaalsContact C-N 3.32Å; E7-S9 PolarHBondContact O-N 2.81Å; S9-K11 VanDerWaalsContact C-N 3.34Å; S9-K11 PolarHBondContact O-N 3.47Å; S9-V12 WeakPolarHBondContact O-CB 3.43Å; S9-V12 PolarHBondContact O-N 2.87Å; S9-V37 WeakPolarHBondContact O-CG2 2.91Å |
| 10 | L | 80.5 | Confident | 69.3 | Low | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.5 | -29.7 | 178.4 | -68.7 | 174 | 0 | 0 | 0 | 113 | A6 E7 V12 L13 L15 I20 T23 L24 L33 | A6-L10 WeakPolarHBondContact O-CG 3.27Å; A6-L10 PolarHBondContact O-N 3.15Å; E7-L10 PolarHBondContact O-N 3.07Å; L10-V12 PolarHBondContact O-N 2.92Å; L10-L13 HydrophobicContact CD2-CD1 4.26Å; L10-L13 WeakPolarHBondContact O-CB 3.47Å; L10-L13 PolarHBondContact O-N 3.14Å; L10-L13 VanDerWaalsContact O-N 3.13Å; L10-L15 HydrophobicContact CD2-CD1 4.4Å; L10-I20 HydrophobicContact CB-CG1 4.15Å; L10-I20 HydrophobicContact CB-CG2 4.11Å; L10-I20 HydrophobicContact CD1-CG2 4.04Å; L10-T23 HydrophobicContact CD1-CG2 4.17Å; L10-T23 HydrophobicContact CD2-CG2 4.29Å; L10-L24 HydrophobicContact CD1-CD2 3.82Å; L10-L24 HydrophobicContact CD1-CG 3.99Å; L10-L33 HydrophobicContact CD2-CB 3.64Å; L10-L33 HydrophobicContact CD2-CD1 3.77Å; L10-L33 HydrophobicContact CD2-CG 4.33Å |
| 11 | K | 80.7 | Confident | 69.9 | Low | 87 Ų | 87 | 69.8 Ų | 69.8 | 38% | 0.378 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.8 | -31.7 | 173.6 | -76.3 | 179.1 | -176.2 | 170 | 0 | 112.7 | E7 S8 S9 L13 G14 E17 I20 T56 | E7-K11 WeakPolarHBondContact O-CG 3.38Å; E7-K11 PolarHBondContact O-N 3.01Å; E7-K11 WeakPolarHBondContact OE1-CE 3.42Å; E7-K11 IonicContact OE1-NZ 3.88Å; E7-K11 PolarHBondContact OE1-NZ 2.72Å; S8-K11 PolarHBondContact O-N 2.82Å; S9-K11 VanDerWaalsContact C-N 3.34Å; S9-K11 PolarHBondContact O-N 3.47Å; K11-L13 PolarHBondContact O-N 3.27Å; K11-G14 PolarHBondContact O-N 2.88Å; K11-E17 VanDerWaalsContact CE-OE2 3.23Å; K11-E17 WeakPolarHBondContact CE-OE2 3.38Å; K11-E17 IonicContact NZ-OE2 3.9Å; K11-E17 PolarHBondContact NZ-OE2 2.67Å; K11-I20 HydrophobicContact CB-CD1 4.47Å; K11-I20 HydrophobicContact CG-CD1 3.52Å; K11-T56 WeakPolarHBondContact O-CG2 3.32Å |
| 12 | V | 79 | Confident | 72.4 | Confident | 22 Ų | 22 | 64.2 Ų | 64.2 | 13% | 0.133 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -29.5 | 177.1 | -177.8 | 0 | 0 | 0 | 0 | 112 | S9 L10 G14 V37 I50 L57 | S9-V12 WeakPolarHBondContact O-CB 3.43Å; S9-V12 PolarHBondContact O-N 2.87Å; L10-V12 PolarHBondContact O-N 2.92Å; V12-G14 PolarHBondContact O-N 3.13Å; V12-V37 HydrophobicContact CB-CG1 4Å; V12-V37 HydrophobicContact CG1-CG1 4.23Å; V12-V37 HydrophobicContact CG2-CG1 4.09Å; V12-I50 HydrophobicContact CG1-CD1 4.19Å; V12-L57 HydrophobicContact CG1-CD1 4.25Å; V12-L57 HydrophobicContact CG1-CG 4.27Å; V12-L57 PolarHBondContact O-N 2.9Å |
| 13 | L | 78.4 | Confident | 74.7 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -0.5 | 177.9 | -62.3 | 172.2 | 0 | 0 | 0 | 113.7 | L10 K11 L15 L33 V37 L57 G62 L65 | L10-L13 HydrophobicContact CD2-CD1 4.26Å; L10-L13 WeakPolarHBondContact O-CB 3.47Å; L10-L13 PolarHBondContact O-N 3.14Å; L10-L13 VanDerWaalsContact O-N 3.13Å; K11-L13 PolarHBondContact O-N 3.27Å; L13-L15 VanDerWaalsContact C-N 3.26Å; L13-L15 HydrophobicContact CB-CD1 4.32Å; L13-L15 HydrophobicContact CB-CG 4.02Å; L13-L15 HydrophobicContact CD1-CD1 4.27Å; L13-L15 PolarHBondContact O-N 2.92Å; L13-L33 HydrophobicContact CD1-CB 4.34Å; L13-L33 HydrophobicContact CD1-CD2 3.78Å; L13-L33 HydrophobicContact CD1-CG 4.5Å; L13-V37 HydrophobicContact CD1-CG2 4.09Å; L13-V37 HydrophobicContact CD2-CG2 3.9Å; L13-V37 HydrophobicContact CG-CG2 3.78Å; L13-L57 HydrophobicContact CD2-CD1 4.11Å; L13-G62 VanDerWaalsContact O-CA 3.26Å; L13-G62 WeakPolarHBondContact O-CA 3.34Å; L13-L65 HydrophobicContact CD2-CB 3.94Å; L13-L65 HydrophobicContact CD2-CD1 3.86Å |
| 14 | G | 76.4 | Confident | 77 | Confident | 47 Ų | 47 | 54.4 Ų | 54.4 | 49% | 0.485 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 22.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | K11 V12 | K11-G14 PolarHBondContact O-N 2.88Å; V12-G14 PolarHBondContact O-N 3.13Å |
| 15 | L | 77.7 | Confident | 78.4 | Confident | 33 Ų | 33 | 61.5 Ų | 61.5 | 17% | 0.173 | 33% | 0.325 | C | S | . | . | trans | -70.4 | 144.2 | 175.6 | -62.9 | 174.6 | 0 | 0 | 0 | 110.5 | L10 L13 K19 I20 Y66 | L10-L15 HydrophobicContact CD2-CD1 4.4Å; L13-L15 VanDerWaalsContact C-N 3.26Å; L13-L15 HydrophobicContact CB-CD1 4.32Å; L13-L15 HydrophobicContact CB-CG 4.02Å; L13-L15 HydrophobicContact CD1-CD1 4.27Å; L13-L15 PolarHBondContact O-N 2.92Å; L15-K19 HydrophobicContact CB-CB 4.49Å; L15-K19 HydrophobicContact CD2-CG 4.24Å; L15-I20 HydrophobicContact CB-CD1 4.32Å; L15-I20 HydrophobicContact CB-CG1 3.71Å; L15-Y66 HydrophobicContact CD1-CD2 3.96Å; L15-Y66 HydrophobicContact CD1-CE2 4.1Å; L15-Y66 HydrophobicContact CD2-CD2 3.96Å; L15-Y66 HydrophobicContact CD2-CE2 4.39Å | ||
| 16 | S | 78.1 | Confident | 79 | Confident | 73 Ų | 73 | 60.4 Ų | 60.4 | 51% | 0.51 | 32% | 0.319 | S | S | . | . | trans | -66 | 153.3 | 171.8 | 65.3 | 0 | 0 | 0 | 0 | 111 | Q18 K19 I20 | S16-Q18 VanDerWaalsContact C-N 3.26Å; S16-Q18 PolarHBondContact O-N 3.43Å; S16-K19 WeakPolarHBondContact O-CA 3.45Å; S16-K19 PolarHBondContact O-N 2.94Å; S16-K19 WeakPolarHBondContact OG-CB 3.15Å; S16-K19 PolarHBondContact OG-N 3.38Å; S16-I20 WeakPolarHBondContact O-CG1 3.16Å; S16-I20 PolarHBondContact O-N 3.07Å | ||
| 17 | E | 77.2 | Confident | 79.2 | Confident | 87 Ų | 87 | 65 Ų | 65 | 41% | 0.407 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -54.5 | -43.2 | -179.1 | -168.5 | 57 | -131.5 | 0 | 0 | 112 | K11 K19 I20 Q21 | K11-E17 VanDerWaalsContact CE-OE2 3.23Å; K11-E17 WeakPolarHBondContact CE-OE2 3.38Å; K11-E17 IonicContact NZ-OE2 3.9Å; K11-E17 PolarHBondContact NZ-OE2 2.67Å; E17-K19 VanDerWaalsContact C-N 3.32Å; E17-K19 PolarHBondContact O-N 2.78Å; E17-I20 WeakPolarHBondContact O-CB 3.15Å; E17-I20 PolarHBondContact O-N 2.87Å; E17-Q21 WeakPolarHBondContact O-CG 3.31Å; E17-Q21 PolarHBondContact O-N 2.85Å; E17-Q21 PolarHBondContact OE1-NE2 3.37Å; E17-Q21 VanDerWaalsContact OE1-NE2 3.17Å |
| 18 | Q | 77.3 | Confident | 79.3 | Confident | 165 Ų | 165 | 66.9 Ų | 66.9 | 77% | 0.771 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59.9 | -41.3 | 175.3 | -168.4 | -176.5 | 19.6 | 0 | 0 | 112.4 | S16 Q21 E22 | S16-Q18 VanDerWaalsContact C-N 3.26Å; S16-Q18 PolarHBondContact O-N 3.43Å; Q18-Q21 PolarHBondContact O-N 3.06Å; Q18-E22 PolarHBondContact O-N 3.16Å |
| 19 | K | 77.8 | Confident | 79.7 | Confident | 70 Ų | 70 | 65 Ų | 65 | 30% | 0.304 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -71.1 | -33.4 | 179.9 | -166 | 64.2 | -178.5 | 174 | 0 | 111.8 | L15 S16 E17 E22 T23 | L15-K19 HydrophobicContact CB-CB 4.49Å; L15-K19 HydrophobicContact CD2-CG 4.24Å; S16-K19 WeakPolarHBondContact O-CA 3.45Å; S16-K19 PolarHBondContact O-N 2.94Å; S16-K19 WeakPolarHBondContact OG-CB 3.15Å; S16-K19 PolarHBondContact OG-N 3.38Å; E17-K19 VanDerWaalsContact C-N 3.32Å; E17-K19 PolarHBondContact O-N 2.78Å; K19-E22 WeakPolarHBondContact CD-OE2 3.39Å; K19-E22 IonicContact NZ-OE1 3.34Å; K19-E22 IonicContact NZ-OE2 3.29Å; K19-E22 PolarHBondContact NZ-OE2 3.06Å; K19-E22 PolarHBondContact O-N 2.99Å; K19-T23 VanDerWaalsContact O-CB 3.29Å; K19-T23 WeakPolarHBondContact O-CB 3.42Å; K19-T23 PolarHBondContact O-N 3.03Å; K19-T23 PolarHBondContact O-OG1 2.79Å |
| 20 | I | 81.1 | Confident | 80 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.5 | -50.1 | 172.9 | -66.1 | 170.8 | 0 | 0 | 0 | 109.6 | E7 L10 K11 L15 S16 E17 E22 T23 L24 | E7-I20 HydrophobicContact CG-CG2 3.76Å; L10-I20 HydrophobicContact CB-CG1 4.15Å; L10-I20 HydrophobicContact CB-CG2 4.11Å; L10-I20 HydrophobicContact CD1-CG2 4.04Å; K11-I20 HydrophobicContact CB-CD1 4.47Å; K11-I20 HydrophobicContact CG-CD1 3.52Å; L15-I20 HydrophobicContact CB-CD1 4.32Å; L15-I20 HydrophobicContact CB-CG1 3.71Å; S16-I20 WeakPolarHBondContact O-CG1 3.16Å; S16-I20 PolarHBondContact O-N 3.07Å; E17-I20 WeakPolarHBondContact O-CB 3.15Å; E17-I20 PolarHBondContact O-N 2.87Å; I20-E22 VanDerWaalsContact C-N 3.35Å; I20-E22 PolarHBondContact O-N 3.14Å; I20-T23 PolarHBondContact O-N 2.91Å; I20-T23 VanDerWaalsContact O-N 3.13Å; I20-L24 HydrophobicContact CG2-CD1 4Å; I20-L24 HydrophobicContact CG2-CG 4.34Å; I20-L24 WeakPolarHBondContact O-CG 3.18Å; I20-L24 PolarHBondContact O-N 2.8Å |
| 21 | Q | 81.9 | Confident | 80.1 | Confident | 88 Ų | 88 | 69.9 Ų | 69.9 | 41% | 0.411 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 178.5 | -63.7 | -58.7 | -32.1 | 0 | 0 | 112.6 | E17 Q18 K25 | E17-Q21 WeakPolarHBondContact O-CG 3.31Å; E17-Q21 PolarHBondContact O-N 2.85Å; E17-Q21 PolarHBondContact OE1-NE2 3.37Å; E17-Q21 VanDerWaalsContact OE1-NE2 3.17Å; Q18-Q21 PolarHBondContact O-N 3.06Å; Q21-K25 PolarHBondContact O-N 2.82Å |
| 22 | E | 80.1 | Confident | 80.3 | Confident | 111 Ų | 111 | 67.8 Ų | 67.8 | 52% | 0.519 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 174.3 | -167.3 | -169.2 | -176.7 | 0 | 0 | 111.9 | Q18 K19 I20 K25 | Q18-E22 PolarHBondContact O-N 3.16Å; K19-E22 WeakPolarHBondContact CD-OE2 3.39Å; K19-E22 IonicContact NZ-OE1 3.34Å; K19-E22 IonicContact NZ-OE2 3.29Å; K19-E22 PolarHBondContact NZ-OE2 3.06Å; K19-E22 PolarHBondContact O-N 2.99Å; I20-E22 VanDerWaalsContact C-N 3.35Å; I20-E22 PolarHBondContact O-N 3.14Å; E22-K25 WeakPolarHBondContact O-CB 3.13Å; E22-K25 PolarHBondContact O-N 2.89Å |
| 23 | T | 81.5 | Confident | 80.6 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.012 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 179.7 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | L10 K19 I20 K25 N26 L29 S30 L33 Y66 | L10-T23 HydrophobicContact CD1-CG2 4.17Å; L10-T23 HydrophobicContact CD2-CG2 4.29Å; K19-T23 VanDerWaalsContact O-CB 3.29Å; K19-T23 WeakPolarHBondContact O-CB 3.42Å; K19-T23 PolarHBondContact O-N 3.03Å; K19-T23 PolarHBondContact O-OG1 2.79Å; I20-T23 PolarHBondContact O-N 2.91Å; I20-T23 VanDerWaalsContact O-N 3.13Å; T23-K25 PolarHBondContact O-N 2.91Å; T23-N26 CarbonylContact O-C 3.48Å; T23-N26 WeakPolarHBondContact O-CA 3.37Å; T23-N26 PolarHBondContact O-N 3.42Å; T23-N26 VanDerWaalsContact O-O 3.11Å; T23-L29 HydrophobicContact CG2-CD2 4.22Å; T23-L29 HydrophobicContact CG2-CG 4.24Å; T23-S30 VanDerWaalsContact C-OG 3.25Å; T23-S30 PolarHBondContact O-OG 3.38Å; T23-L33 HydrophobicContact CG2-CD1 3.45Å; T23-L33 VanDerWaalsContact CG2-CD1 3.45Å; T23-Y66 HydrophobicContact CG2-CE2 4.22Å |
| 24 | L | 82.6 | Confident | 80.8 | Confident | 54 Ų | 54 | 68 Ų | 68 | 28% | 0.283 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.1 | -28.7 | 176.9 | -74.3 | 173.4 | 0 | 0 | 0 | 113.1 | A6 E7 L10 I20 N26 S30 | A6-L24 HydrophobicContact CB-CD2 3.75Å; E7-L24 HydrophobicContact CB-CD1 4.35Å; E7-L24 HydrophobicContact CG-CD1 4.39Å; L10-L24 HydrophobicContact CD1-CD2 3.82Å; L10-L24 HydrophobicContact CD1-CG 3.99Å; I20-L24 HydrophobicContact CG2-CD1 4Å; I20-L24 HydrophobicContact CG2-CG 4.34Å; I20-L24 WeakPolarHBondContact O-CG 3.18Å; I20-L24 PolarHBondContact O-N 2.8Å; L24-N26 PolarHBondContact O-N 3.46Å; L24-S30 VanDerWaalsContact CA-OG 3.31Å; L24-S30 WeakPolarHBondContact CA-OG 3.38Å; L24-S30 PolarHBondContact N-OG 3.48Å |
| 25 | K | 81.2 | Confident | 81 | Confident | 184 Ų | 184 | 67.8 Ų | 67.8 | 80% | 0.8 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -67.2 | -26.2 | 172.7 | -65.5 | 175.3 | -176.8 | 179.6 | 0 | 112.6 | Q21 E22 T23 Q27 | Q21-K25 PolarHBondContact O-N 2.82Å; E22-K25 WeakPolarHBondContact O-CB 3.13Å; E22-K25 PolarHBondContact O-N 2.89Å; T23-K25 PolarHBondContact O-N 2.91Å; K25-Q27 PolarHBondContact O-N 2.84Å |
| 26 | N | 82.7 | Confident | 81.3 | Confident | 78 Ų | 78 | 66.2 Ų | 66.2 | 42% | 0.417 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -95.6 | 87.5 | 175.1 | -171.1 | -24.7 | 0 | 0 | 0 | 109.7 | T23 L24 P28 L29 S30 | T23-N26 CarbonylContact O-C 3.48Å; T23-N26 WeakPolarHBondContact O-CA 3.37Å; T23-N26 PolarHBondContact O-N 3.42Å; T23-N26 VanDerWaalsContact O-O 3.11Å; L24-N26 PolarHBondContact O-N 3.46Å; N26-P28 WeakPolarHBondContact OD1-CD 3.25Å; N26-L29 HydrophobicContact CB-CB 4.01Å; N26-L29 VanDerWaalsContact CG-CB 3.49Å; N26-L29 PolarHBondContact O-N 3.08Å; N26-L29 WeakPolarHBondContact OD1-CB 3.16Å; N26-L29 PolarHBondContact OD1-N 2.64Å; N26-S30 WeakPolarHBondContact O-CB 3.46Å; N26-S30 PolarHBondContact O-N 3.38Å; N26-S30 PolarHBondContact O-OG 3.09Å |
| 27 | Q | 79.4 | Confident | 81.4 | Confident | 131 Ų | 131 | 63 Ų | 63 | 61% | 0.612 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -56.6 | -47.3 | -174.6 | -176.7 | 178.6 | -2.5 | 0 | 0 | 113.7 | K25 L29 S30 E31 | K25-Q27 PolarHBondContact O-N 2.84Å; Q27-L29 VanDerWaalsContact C-N 3.34Å; Q27-L29 PolarHBondContact O-N 2.75Å; Q27-S30 PolarHBondContact O-N 2.96Å; Q27-E31 WeakPolarHBondContact CG-OE1 3.36Å; Q27-E31 PolarHBondContact NE2-OE1 3.48Å; Q27-E31 VanDerWaalsContact NE2-OE1 3.14Å; Q27-E31 WeakPolarHBondContact O-CG 3.09Å; Q27-E31 PolarHBondContact O-N 2.78Å |
| 28 | P | 79.8 | Confident | 81.5 | Confident | 88 Ų | 88 | 61.1 Ų | 61.1 | 57% | 0.571 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.5 | -38.8 | 176.7 | -24.9 | 33.6 | 0 | 0 | 0 | 114.2 | N26 T32 | N26-P28 WeakPolarHBondContact OD1-CD 3.25Å; P28-T32 WeakPolarHBondContact O-CB 3.45Å; P28-T32 PolarHBondContact O-N 2.75Å; P28-T32 VanDerWaalsContact O-N 3.13Å; P28-T32 PolarHBondContact O-OG1 3.26Å |
| 29 | L | 84.1 | Confident | 81.4 | Confident | 21 Ų | 21 | 55.3 Ų | 55.3 | 11% | 0.11 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69 | -43 | 177.6 | 178.9 | 60 | 0 | 0 | 0 | 110.9 | T23 N26 Q27 T32 L33 A69 T70 | T23-L29 HydrophobicContact CG2-CD2 4.22Å; T23-L29 HydrophobicContact CG2-CG 4.24Å; N26-L29 HydrophobicContact CB-CB 4.01Å; N26-L29 VanDerWaalsContact CG-CB 3.49Å; N26-L29 PolarHBondContact O-N 3.08Å; N26-L29 WeakPolarHBondContact OD1-CB 3.16Å; N26-L29 PolarHBondContact OD1-N 2.64Å; Q27-L29 VanDerWaalsContact C-N 3.34Å; Q27-L29 PolarHBondContact O-N 2.75Å; L29-T32 PolarHBondContact O-N 2.82Å; L29-L33 HydrophobicContact CD1-CD1 4.06Å; L29-L33 HydrophobicContact CD1-CG 4.2Å; L29-L33 HydrophobicContact CG-CD1 3.89Å; L29-L33 HydrophobicContact CG-CG 4.46Å; L29-L33 WeakPolarHBondContact O-CB 3.33Å; L29-L33 WeakPolarHBondContact O-CG 3.43Å; L29-L33 PolarHBondContact O-N 2.97Å; L29-A69 HydrophobicContact CD1-CB 3.92Å; L29-T70 HydrophobicContact CD1-CG2 3.7Å; L29-T70 HydrophobicContact CD2-CG2 4.19Å |
| 30 | S | 81.8 | Confident | 81.3 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 6% | 0.056 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 176.9 | -70.8 | 0 | 0 | 0 | 0 | 112.3 | T23 L24 N26 Q27 T32 L33 C34 | T23-S30 VanDerWaalsContact C-OG 3.25Å; T23-S30 PolarHBondContact O-OG 3.38Å; L24-S30 VanDerWaalsContact CA-OG 3.31Å; L24-S30 WeakPolarHBondContact CA-OG 3.38Å; L24-S30 PolarHBondContact N-OG 3.48Å; N26-S30 WeakPolarHBondContact O-CB 3.46Å; N26-S30 PolarHBondContact O-N 3.38Å; N26-S30 PolarHBondContact O-OG 3.09Å; Q27-S30 PolarHBondContact O-N 2.96Å; S30-T32 VanDerWaalsContact C-N 3.34Å; S30-T32 PolarHBondContact O-N 3.43Å; S30-L33 PolarHBondContact O-N 2.8Å; S30-C34 WeakPolarHBondContact O-CB 3.46Å; S30-C34 PolarHBondContact O-N 3.46Å; S30-C34 PolarHBondContact O-SG 3.38Å |
| 31 | E | 84.1 | Confident | 80.7 | Confident | 115 Ų | 115 | 54.1 Ų | 54.1 | 54% | 0.537 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 176.1 | -72.7 | 171.9 | -170.1 | 0 | 0 | 111.6 | Q27 C34 S35 | Q27-E31 WeakPolarHBondContact CG-OE1 3.36Å; Q27-E31 PolarHBondContact NE2-OE1 3.48Å; Q27-E31 VanDerWaalsContact NE2-OE1 3.14Å; Q27-E31 WeakPolarHBondContact O-CG 3.09Å; Q27-E31 PolarHBondContact O-N 2.78Å; E31-C34 PolarHBondContact O-N 2.98Å; E31-S35 WeakPolarHBondContact O-CB 3.28Å; E31-S35 PolarHBondContact O-N 3.3Å |
| 32 | T | 83.8 | Confident | 79.8 | Confident | 42 Ų | 42 | 57.9 Ų | 57.9 | 26% | 0.258 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 177.4 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | P28 L29 S30 S35 I36 A69 | P28-T32 WeakPolarHBondContact O-CB 3.45Å; P28-T32 PolarHBondContact O-N 2.75Å; P28-T32 VanDerWaalsContact O-N 3.13Å; P28-T32 PolarHBondContact O-OG1 3.26Å; L29-T32 PolarHBondContact O-N 2.82Å; S30-T32 VanDerWaalsContact C-N 3.34Å; S30-T32 PolarHBondContact O-N 3.43Å; T32-S35 WeakPolarHBondContact O-CB 3.38Å; T32-S35 PolarHBondContact O-N 2.83Å; T32-I36 HydrophobicContact CG2-CD1 4.24Å; T32-I36 WeakPolarHBondContact O-CG1 3.45Å; T32-I36 PolarHBondContact O-N 3.12Å; T32-A69 HydrophobicContact CG2-CB 4.09Å |
| 33 | L | 84.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.9 | -43.5 | 177.8 | -72.6 | 167.7 | 0 | 0 | 0 | 111.8 | L10 L13 T23 L29 S30 S35 I36 V37 Y66 A69 | L10-L33 HydrophobicContact CD2-CB 3.64Å; L10-L33 HydrophobicContact CD2-CD1 3.77Å; L10-L33 HydrophobicContact CD2-CG 4.33Å; L13-L33 HydrophobicContact CD1-CB 4.34Å; L13-L33 HydrophobicContact CD1-CD2 3.78Å; L13-L33 HydrophobicContact CD1-CG 4.5Å; T23-L33 HydrophobicContact CG2-CD1 3.45Å; T23-L33 VanDerWaalsContact CG2-CD1 3.45Å; L29-L33 HydrophobicContact CD1-CD1 4.06Å; L29-L33 HydrophobicContact CD1-CG 4.2Å; L29-L33 HydrophobicContact CG-CD1 3.89Å; L29-L33 HydrophobicContact CG-CG 4.46Å; L29-L33 WeakPolarHBondContact O-CB 3.33Å; L29-L33 WeakPolarHBondContact O-CG 3.43Å; L29-L33 PolarHBondContact O-N 2.97Å; S30-L33 PolarHBondContact O-N 2.8Å; L33-S35 VanDerWaalsContact C-N 3.26Å; L33-S35 PolarHBondContact O-N 2.99Å; L33-I36 PolarHBondContact O-N 2.92Å; L33-I36 VanDerWaalsContact O-N 3.12Å; L33-V37 WeakPolarHBondContact O-CG2 3.46Å; L33-V37 PolarHBondContact O-N 2.92Å; L33-Y66 HydrophobicContact CD1-CD2 3.86Å; L33-Y66 HydrophobicContact CD1-CE2 3.76Å; L33-Y66 HydrophobicContact CD2-CD2 4.08Å; L33-A69 HydrophobicContact CD2-CB 3.4Å; L33-A69 HydrophobicContact CG-CB 3.85Å |
| 34 | C | 82.6 | Confident | 77.5 | Confident | 29 Ų | 29 | 63.8 Ų | 63.8 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 174.6 | -68.4 | 0 | 0 | 0 | 0 | 111.2 | S30 E31 V37 A38 | S30-C34 WeakPolarHBondContact O-CB 3.46Å; S30-C34 PolarHBondContact O-N 3.46Å; S30-C34 PolarHBondContact O-SG 3.38Å; E31-C34 PolarHBondContact O-N 2.98Å; C34-V37 PolarHBondContact O-N 3.27Å; C34-A38 WeakPolarHBondContact O-CB 3.36Å; C34-A38 PolarHBondContact O-N 3.4Å |
| 35 | S | 81.6 | Confident | 76.1 | Confident | 43 Ų | 43 | 71.6 Ų | 71.6 | 30% | 0.301 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64 | -39.6 | 174 | -176.5 | 0 | 0 | 0 | 0 | 112.5 | E31 T32 L33 A38 E39 R80 | E31-S35 WeakPolarHBondContact O-CB 3.28Å; E31-S35 PolarHBondContact O-N 3.3Å; T32-S35 WeakPolarHBondContact O-CB 3.38Å; T32-S35 PolarHBondContact O-N 2.83Å; L33-S35 VanDerWaalsContact C-N 3.26Å; L33-S35 PolarHBondContact O-N 2.99Å; S35-A38 PolarHBondContact O-N 3.26Å; S35-E39 WeakPolarHBondContact O-CG 3.4Å; S35-E39 PolarHBondContact O-N 3.26Å; S35-R80 PolarHBondContact OG-NH1 3.12Å; S35-R80 PolarHBondContact OG-NH2 3.31Å |
| 36 | I | 83.7 | Confident | 74.9 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 175.2 | -72 | 164.7 | 0 | 0 | 0 | 110.4 | T32 L33 A38 E39 V40 L65 V68 A69 R80 V84 | T32-I36 HydrophobicContact CG2-CD1 4.24Å; T32-I36 WeakPolarHBondContact O-CG1 3.45Å; T32-I36 PolarHBondContact O-N 3.12Å; L33-I36 PolarHBondContact O-N 2.92Å; L33-I36 VanDerWaalsContact O-N 3.12Å; I36-A38 VanDerWaalsContact C-N 3.29Å; I36-A38 PolarHBondContact O-N 2.82Å; I36-E39 WeakPolarHBondContact O-CB 3.33Å; I36-E39 PolarHBondContact O-N 2.88Å; I36-E39 VanDerWaalsContact O-N 3.13Å; I36-V40 WeakPolarHBondContact O-CG2 3.46Å; I36-V40 PolarHBondContact O-N 3.19Å; I36-L65 HydrophobicContact CG2-CB 4.34Å; I36-L65 HydrophobicContact CG2-CD1 4.46Å; I36-L65 HydrophobicContact CG2-CD2 3.97Å; I36-L65 HydrophobicContact CG2-CG 4.49Å; I36-V68 HydrophobicContact CD1-CG1 4.46Å; I36-A69 HydrophobicContact CD1-CB 3.77Å; I36-R80 HydrophobicContact CG1-CG 4.43Å; I36-V84 HydrophobicContact CG1-CG2 4.29Å; I36-V84 HydrophobicContact CG2-CG1 4.35Å; I36-V84 HydrophobicContact CG2-CG2 3.84Å |
| 37 | V | 81 | Confident | 73.4 | Confident | 7 Ų | 7 | 66.6 Ų | 66.6 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.3 | -37.1 | 178.1 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | S9 V12 L13 L33 C34 V40 S41 | S9-V37 WeakPolarHBondContact O-CG2 2.91Å; V12-V37 HydrophobicContact CB-CG1 4Å; V12-V37 HydrophobicContact CG1-CG1 4.23Å; V12-V37 HydrophobicContact CG2-CG1 4.09Å; L13-V37 HydrophobicContact CD1-CG2 4.09Å; L13-V37 HydrophobicContact CD2-CG2 3.9Å; L13-V37 HydrophobicContact CG-CG2 3.78Å; L33-V37 WeakPolarHBondContact O-CG2 3.46Å; L33-V37 PolarHBondContact O-N 2.92Å; C34-V37 PolarHBondContact O-N 3.27Å; V37-V40 PolarHBondContact O-N 3.03Å; V37-S41 WeakPolarHBondContact O-CB 3.33Å; V37-S41 PolarHBondContact O-N 2.9Å; V37-S41 PolarHBondContact O-OG 2.78Å |
| 38 | A | 77.9 | Confident | 72.1 | Confident | 47 Ų | 47 | 64.3 Ų | 64.3 | 39% | 0.388 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C34 S35 I36 S41 H42 | C34-A38 WeakPolarHBondContact O-CB 3.36Å; C34-A38 PolarHBondContact O-N 3.4Å; S35-A38 PolarHBondContact O-N 3.26Å; I36-A38 VanDerWaalsContact C-N 3.29Å; I36-A38 PolarHBondContact O-N 2.82Å; A38-S41 PolarHBondContact O-N 2.69Å; A38-H42 PolarHBondContact O-N 2.94Å; A38-H42 VanDerWaalsContact O-N 3.08Å |
| 39 | E | 76.1 | Confident | 70.7 | Confident | 43 Ų | 43 | 61.9 Ų | 61.9 | 20% | 0.201 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 173.2 | -76.4 | 178.4 | -150.6 | 0 | 0 | 111.6 | S35 I36 S41 H42 R80 T81 | S35-E39 WeakPolarHBondContact O-CG 3.4Å; S35-E39 PolarHBondContact O-N 3.26Å; I36-E39 WeakPolarHBondContact O-CB 3.33Å; I36-E39 PolarHBondContact O-N 2.88Å; I36-E39 VanDerWaalsContact O-N 3.13Å; E39-S41 VanDerWaalsContact C-N 3.32Å; E39-S41 PolarHBondContact O-N 2.84Å; E39-H42 PolarHBondContact O-N 2.84Å; E39-R80 IonicContact OE1-CZ 3.93Å; E39-R80 IonicContact OE1-NE 3.68Å; E39-R80 PolarHBondContact OE1-NE 3.34Å; E39-R80 IonicContact OE1-NH2 2.95Å; E39-R80 PolarHBondContact OE1-NH2 2.79Å; E39-R80 IonicContact OE2-NE 3.95Å; E39-T81 WeakPolarHBondContact OE2-CA 3.44Å; E39-T81 PolarHBondContact OE2-OG1 3.26Å |
| 40 | V | 75.4 | Confident | 69.3 | Low | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 175.6 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | I36 V37 H42 W46 I50 L57 L65 V84 | I36-V40 WeakPolarHBondContact O-CG2 3.46Å; I36-V40 PolarHBondContact O-N 3.19Å; V37-V40 PolarHBondContact O-N 3.03Å; V40-H42 VanDerWaalsContact C-N 3.31Å; V40-H42 PolarHBondContact O-N 2.99Å; V40-W46 HydrophobicContact CG1-CB 4.19Å; V40-I50 HydrophobicContact CG1-CD1 4.02Å; V40-L57 HydrophobicContact CG1-CD1 4.49Å; V40-L57 HydrophobicContact CG1-CD2 4.29Å; V40-L65 HydrophobicContact CG2-CD1 4.29Å; V40-V84 HydrophobicContact CG2-CG1 3.5Å |
| 41 | S | 68.5 | Low | 67.9 | Low | 44 Ų | 44 | 68.7 Ų | 68.7 | 31% | 0.308 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70.8 | -24.3 | -177.6 | -58.4 | 0 | 0 | 0 | 0 | 113.6 | V37 A38 E39 | V37-S41 WeakPolarHBondContact O-CB 3.33Å; V37-S41 PolarHBondContact O-N 2.9Å; V37-S41 PolarHBondContact O-OG 2.78Å; A38-S41 PolarHBondContact O-N 2.69Å; E39-S41 VanDerWaalsContact C-N 3.32Å; E39-S41 PolarHBondContact O-N 2.84Å |
| 42 | H | 64.3 | Low | 66.3 | Low | 166 Ų | 166 | 70 Ų | 70 | 77% | 0.769 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -79.3 | -24.4 | -178.5 | -169 | -90.3 | 0 | 0 | 0 | 113.1 | A38 E39 V40 Q44 | A38-H42 PolarHBondContact O-N 2.94Å; A38-H42 VanDerWaalsContact O-N 3.08Å; E39-H42 PolarHBondContact O-N 2.84Å; V40-H42 VanDerWaalsContact C-N 3.31Å; V40-H42 PolarHBondContact O-N 2.99Å; H42-Q44 PolarHBondContact O-N 3.21Å |
| 43 | E | 59.5 | Low | 64.6 | Low | 62 Ų | 62 | 71.9 Ų | 71.9 | 29% | 0.29 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -75.7 | 110.1 | 171.6 | -81.3 | -162.2 | 159.3 | 0 | 0 | 110 | R45 W46 F47 K85 | E43-R45 PolarHBondContact O-N 2.87Å; E43-W46 PolarHBondContact O-N 2.94Å; E43-W46 VanDerWaalsContact OE2-CD1 3.27Å; E43-W46 PolarHBondContact OE2-NE1 2.98Å; E43-F47 PolarHBondContact O-N 2.7Å; E43-K85 WeakPolarHBondContact OE1-CD 3.32Å; E43-K85 WeakPolarHBondContact OE1-CE 3.35Å; E43-K85 IonicContact OE1-NZ 3.64Å; E43-K85 PolarHBondContact OE1-NZ 2.76Å |
| 44 | Q | 51.9 | Low | 63 | Low | 175 Ų | 175 | 75.4 Ų | 75.4 | 82% | 0.818 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -51.1 | -28.6 | -175.6 | -72.3 | -169.1 | -17.2 | 0 | 0 | 114.4 | H42 | H42-Q44 PolarHBondContact O-N 3.21Å |
| 45 | R | 53.5 | Low | 62 | Low | 219 Ų | 219 | 75.3 Ų | 75.3 | 83% | 0.826 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67.9 | -35.2 | 179 | -128.1 | 176.2 | -174.3 | 169.2 | 0.5 | 112.6 | E43 | E43-R45 PolarHBondContact O-N 2.87Å |
| 46 | W | 56 | Low | 61.2 | Low | 49 Ų | 49 | 76 Ų | 76 | 19% | 0.186 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -88.2 | -28.3 | -177.8 | -59 | 122.1 | 0 | 0 | 0 | 113 | V40 E43 V48 A49 I50 C88 K89 | V40-W46 HydrophobicContact CG1-CB 4.19Å; E43-W46 PolarHBondContact O-N 2.94Å; E43-W46 VanDerWaalsContact OE2-CD1 3.27Å; E43-W46 PolarHBondContact OE2-NE1 2.98Å; W46-V48 PolarHBondContact O-N 2.75Å; W46-A49 HydrophobicContact CE3-CB 4.06Å; W46-A49 PolarHBondContact O-N 3.48Å; W46-A49 VanDerWaalsContact O-N 3.13Å; W46-I50 WeakPolarHBondContact O-CB 3.23Å; W46-I50 VanDerWaalsContact O-CG1 3.28Å; W46-I50 WeakPolarHBondContact O-CG1 3.44Å; W46-I50 PolarHBondContact O-N 2.78Å; W46-C88 HydrophobicContact CD2-CB 4.12Å; W46-C88 HydrophobicContact CG-CB 4.44Å; W46-C88 WeakPolarHBondContact CH2-O 3.49Å; W46-C88 VanDerWaalsContact CZ2-C 3.42Å; W46-C88 HydrophobicContact CZ2-CB 3.99Å; W46-C88 WeakPolarHBondContact CZ2-O 3.46Å; W46-C88 WeakPolarHBondContact CZ3-O 3.45Å; W46-K89 HydrophobicContact CZ2-CB 4.42Å; W46-K89 HydrophobicContact CZ2-CG 3.92Å |
| 47 | F | 51.6 | Low | 60.7 | Low | 107 Ų | 107 | 76.7 Ų | 76.7 | 47% | 0.469 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -55.9 | -35.2 | 171 | -170.3 | -97.8 | 0 | 0 | 0 | 112.3 | E43 K51 | E43-F47 PolarHBondContact O-N 2.7Å; F47-K51 HydrophobicContact CE1-CD 4.31Å; F47-K51 PolarHBondContact O-N 3.39Å |
| 48 | V | 51.4 | Low | 60.4 | Low | 84 Ų | 84 | 78.9 Ų | 78.9 | 51% | 0.509 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -73 | -44.6 | 175.3 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | W46 I50 K51 I52 | W46-V48 PolarHBondContact O-N 2.75Å; V48-I50 PolarHBondContact O-N 2.81Å; V48-K51 PolarHBondContact O-N 3.35Å; V48-I52 HydrophobicContact CG1-CD1 4.06Å; V48-I52 WeakPolarHBondContact O-CG1 3.42Å; V48-I52 PolarHBondContact O-N 2.84Å |
| 49 | A | 51.4 | Low | 60.2 | Low | 36 Ų | 36 | 79.6 Ų | 79.6 | 30% | 0.298 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W46 K51 I52 T53 | W46-A49 HydrophobicContact CE3-CB 4.06Å; W46-A49 PolarHBondContact O-N 3.48Å; W46-A49 VanDerWaalsContact O-N 3.13Å; A49-K51 VanDerWaalsContact C-N 3.27Å; A49-K51 PolarHBondContact O-N 2.93Å; A49-I52 PolarHBondContact O-N 2.89Å; A49-I52 VanDerWaalsContact O-N 3.07Å; A49-T53 PolarHBondContact O-N 2.9Å; A49-T53 VanDerWaalsContact O-N 3.1Å; A49-T53 PolarHBondContact O-OG1 3.07Å |
| 50 | I | 53.9 | Low | 60.3 | Low | 21 Ų | 21 | 81.2 Ų | 81.2 | 11% | 0.108 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -60.1 | -35.8 | 176.1 | -69.5 | 169.5 | 0 | 0 | 0 | 111.2 | V12 V40 W46 V48 G55 | V12-I50 HydrophobicContact CG1-CD1 4.19Å; V40-I50 HydrophobicContact CG1-CD1 4.02Å; W46-I50 WeakPolarHBondContact O-CB 3.23Å; W46-I50 VanDerWaalsContact O-CG1 3.28Å; W46-I50 WeakPolarHBondContact O-CG1 3.44Å; W46-I50 PolarHBondContact O-N 2.78Å; V48-I50 PolarHBondContact O-N 2.81Å; I50-G55 WeakPolarHBondContact O-CA 3.23Å; I50-G55 PolarHBondContact O-N 2.78Å |
| 51 | K | 52 | Low | 60.6 | Low | 152 Ų | 152 | 81.8 Ų | 81.8 | 66% | 0.661 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -69.8 | -33.7 | 174.7 | -85 | -169.4 | 174.5 | -173.6 | 0 | 113.4 | F47 V48 A49 | F47-K51 HydrophobicContact CE1-CD 4.31Å; F47-K51 PolarHBondContact O-N 3.39Å; V48-K51 PolarHBondContact O-N 3.35Å; A49-K51 VanDerWaalsContact C-N 3.27Å; A49-K51 PolarHBondContact O-N 2.93Å |
| 52 | I | 50.4 | Low | 61.3 | Low | 141 Ų | 141 | 79.7 Ų | 79.7 | 72% | 0.723 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -74.3 | -35 | -178.7 | -64.4 | 167.8 | 0 | 0 | 0 | 110.9 | V48 A49 G54 | V48-I52 HydrophobicContact CG1-CD1 4.06Å; V48-I52 WeakPolarHBondContact O-CG1 3.42Å; V48-I52 PolarHBondContact O-N 2.84Å; A49-I52 PolarHBondContact O-N 2.89Å; A49-I52 VanDerWaalsContact O-N 3.07Å; I52-G54 VanDerWaalsContact C-N 3.33Å; I52-G54 PolarHBondContact O-N 2.78Å |
| 53 | T | 48.1 | Very low | 62.3 | Low | 83 Ų | 83 | 78.3 Ų | 78.3 | 51% | 0.509 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 14.6 | -179.7 | 55.8 | 0 | 0 | 0 | 0 | 114.5 | A49 G55 T56 | A49-T53 PolarHBondContact O-N 2.9Å; A49-T53 VanDerWaalsContact O-N 3.1Å; A49-T53 PolarHBondContact O-OG1 3.07Å; T53-G55 VanDerWaalsContact C-N 3.35Å; T53-G55 PolarHBondContact O-N 3.13Å; T53-T56 PolarHBondContact OG1-O 3.26Å |
| 54 | G | 52.6 | Low | 63.6 | Low | 73 Ų | 73 | 75.7 Ų | 75.7 | 75% | 0.753 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 18.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | I52 | I52-G54 VanDerWaalsContact C-N 3.33Å; I52-G54 PolarHBondContact O-N 2.78Å |
| 55 | G | 61 | Low | 65.2 | Low | 27 Ų | 27 | 67.4 Ų | 67.4 | 28% | 0.278 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 104.2 | 4.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | I50 T53 | I50-G55 WeakPolarHBondContact O-CA 3.23Å; I50-G55 PolarHBondContact O-N 2.78Å; T53-G55 VanDerWaalsContact C-N 3.35Å; T53-G55 PolarHBondContact O-N 3.13Å |
| 56 | T | 65.3 | Low | 66.8 | Low | 58 Ų | 58 | 58.9 Ų | 58.9 | 36% | 0.356 | 35% | 0.346 | S | S | . | . | trans | -125.7 | 146.6 | -174 | 58 | 0 | 0 | 0 | 0 | 113.2 | K11 T53 | K11-T56 WeakPolarHBondContact O-CG2 3.32Å; T53-T56 PolarHBondContact OG1-O 3.26Å | ||
| 57 | L | 72.3 | Confident | 68.2 | Low | 15 Ų | 15 | 58.1 Ų | 58.1 | 8% | 0.079 | 34% | 0.344 | C | S | . | . | trans | -72.8 | 162.7 | 168.5 | -70.8 | 162 | 0 | 0 | 0 | 110.5 | V12 L13 V40 Q61 L65 | V12-L57 HydrophobicContact CG1-CD1 4.25Å; V12-L57 HydrophobicContact CG1-CG 4.27Å; V12-L57 PolarHBondContact O-N 2.9Å; L13-L57 HydrophobicContact CD2-CD1 4.11Å; V40-L57 HydrophobicContact CG1-CD1 4.49Å; V40-L57 HydrophobicContact CG1-CD2 4.29Å; L57-Q61 HydrophobicContact CB-CB 4.24Å; L57-L65 HydrophobicContact CD1-CD1 3.59Å | ||
| 58 | S | 74.5 | Confident | 69.8 | Low | 53 Ų | 53 | 53 Ų | 53 | 37% | 0.371 | 32% | 0.322 | S | S | . | . | trans | -61.8 | 148.8 | 174 | 81.1 | 0 | 0 | 0 | 0 | 110.7 | T60 Q61 G62 | S58-T60 PolarHBondContact O-N 2.71Å; S58-T60 VanDerWaalsContact O-N 3.11Å; S58-Q61 PolarHBondContact O-N 3.15Å; S58-Q61 WeakPolarHBondContact OG-CB 3.45Å; S58-Q61 WeakPolarHBondContact OG-CG 2.96Å; S58-Q61 PolarHBondContact OG-N 3.49Å; S58-Q61 PolarHBondContact OG-OE1 3.09Å; S58-G62 PolarHBondContact O-N 3.43Å | ||
| 59 | G | 75.1 | Confident | 71.4 | Confident | 62 Ų | 62 | 49.9 Ų | 49.9 | 64% | 0.639 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -56.1 | -32.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K63 | G59-K63 WeakPolarHBondContact O-CB 3.2Å; G59-K63 PolarHBondContact O-N 3.47Å |
| 60 | T | 77.1 | Confident | 73 | Confident | 76 Ų | 76 | 51.7 Ų | 51.7 | 47% | 0.466 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.6 | -49.3 | 174.8 | -52.9 | 0 | 0 | 0 | 0 | 111.7 | S58 G62 K63 L64 V93 | S58-T60 PolarHBondContact O-N 2.71Å; S58-T60 VanDerWaalsContact O-N 3.11Å; T60-G62 PolarHBondContact O-N 3.01Å; T60-K63 PolarHBondContact O-N 3.19Å; T60-L64 HydrophobicContact CG2-CD1 4.12Å; T60-L64 WeakPolarHBondContact O-CG 3.34Å; T60-L64 PolarHBondContact O-N 2.95Å; T60-V93 VanDerWaalsContact CG2-O 3.31Å; T60-V93 WeakPolarHBondContact CG2-O 3.25Å |
| 61 | Q | 81.7 | Confident | 74.6 | Confident | 15 Ų | 15 | 55.1 Ų | 55.1 | 7% | 0.07 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 177.7 | -72.9 | 170.3 | -16.2 | 0 | 0 | 111.3 | L57 S58 K63 L64 L65 I87 C88 D90 | L57-Q61 HydrophobicContact CB-CB 4.24Å; S58-Q61 PolarHBondContact O-N 3.15Å; S58-Q61 WeakPolarHBondContact OG-CB 3.45Å; S58-Q61 WeakPolarHBondContact OG-CG 2.96Å; S58-Q61 PolarHBondContact OG-N 3.49Å; S58-Q61 PolarHBondContact OG-OE1 3.09Å; Q61-K63 VanDerWaalsContact C-N 3.35Å; Q61-K63 PolarHBondContact O-N 3.28Å; Q61-L64 PolarHBondContact O-N 3.2Å; Q61-L65 WeakPolarHBondContact O-CB 3.22Å; Q61-L65 VanDerWaalsContact O-CG 3.31Å; Q61-L65 WeakPolarHBondContact O-CG 3.44Å; Q61-L65 PolarHBondContact O-N 2.97Å; Q61-I87 HydrophobicContact CB-CG2 4.34Å; Q61-I87 HydrophobicContact CG-CG2 4.38Å; Q61-C88 PolarHBondContact NE2-O 2.79Å; Q61-D90 VanDerWaalsContact NE2-CG 3.33Å; Q61-D90 PolarHBondContact NE2-OD1 2.91Å; Q61-D90 PolarHBondContact NE2-OD2 3.07Å |
| 62 | G | 83.8 | Confident | 76.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.4 | -45.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L13 S58 T60 L65 Y66 | L13-G62 VanDerWaalsContact O-CA 3.26Å; L13-G62 WeakPolarHBondContact O-CA 3.34Å; S58-G62 PolarHBondContact O-N 3.43Å; T60-G62 PolarHBondContact O-N 3.01Å; G62-L65 PolarHBondContact O-N 3.42Å; G62-Y66 WeakPolarHBondContact O-CB 3.43Å; G62-Y66 PolarHBondContact O-N 2.94Å |
| 63 | K | 85.3 | Confident | 77.5 | Confident | 137 Ų | 137 | 48.1 Ų | 48.1 | 60% | 0.596 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.1 | -45.4 | 176.1 | -175.2 | -178.5 | 177.2 | -175.1 | 0 | 112.3 | G59 T60 Q61 Y66 Q67 | G59-K63 WeakPolarHBondContact O-CB 3.2Å; G59-K63 PolarHBondContact O-N 3.47Å; T60-K63 PolarHBondContact O-N 3.19Å; Q61-K63 VanDerWaalsContact C-N 3.35Å; Q61-K63 PolarHBondContact O-N 3.28Å; K63-Y66 PolarHBondContact O-N 3.33Å; K63-Q67 WeakPolarHBondContact O-CG 3.38Å; K63-Q67 PolarHBondContact O-N 3.16Å |
| 64 | L | 86.1 | Confident | 78.9 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.037 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.2 | -41 | -179.9 | -68.1 | 172.9 | 0 | 0 | 0 | 111.8 | T60 Q61 Y66 Q67 V68 I87 I92 L98 | T60-L64 HydrophobicContact CG2-CD1 4.12Å; T60-L64 WeakPolarHBondContact O-CG 3.34Å; T60-L64 PolarHBondContact O-N 2.95Å; Q61-L64 PolarHBondContact O-N 3.2Å; L64-Y66 VanDerWaalsContact C-N 3.33Å; L64-Y66 PolarHBondContact O-N 3.28Å; L64-Q67 CarbonylContact O-C 3.54Å; L64-Q67 WeakPolarHBondContact O-CB 3.42Å; L64-Q67 PolarHBondContact O-N 3.45Å; L64-Q67 VanDerWaalsContact O-N 3.13Å; L64-V68 WeakPolarHBondContact O-CG2 3.3Å; L64-V68 PolarHBondContact O-N 3.01Å; L64-I87 HydrophobicContact CB-CD1 4.04Å; L64-I87 HydrophobicContact CB-CG1 4.34Å; L64-I87 HydrophobicContact CB-CG2 3.94Å; L64-I87 HydrophobicContact CD1-CG2 4.29Å; L64-I92 WeakPolarHBondContact CD1-O 3.28Å; L64-L98 HydrophobicContact CB-CD2 4.4Å; L64-L98 HydrophobicContact CD2-CB 4.21Å; L64-L98 HydrophobicContact CD2-CD2 3.91Å |
| 65 | L | 86.6 | Confident | 80 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 175.4 | -69.5 | 174.4 | 0 | 0 | 0 | 112 | L13 I36 V40 L57 Q61 G62 Q67 V68 A69 V84 I87 | L13-L65 HydrophobicContact CD2-CB 3.94Å; L13-L65 HydrophobicContact CD2-CD1 3.86Å; I36-L65 HydrophobicContact CG2-CB 4.34Å; I36-L65 HydrophobicContact CG2-CD1 4.46Å; I36-L65 HydrophobicContact CG2-CD2 3.97Å; I36-L65 HydrophobicContact CG2-CG 4.49Å; V40-L65 HydrophobicContact CG2-CD1 4.29Å; L57-L65 HydrophobicContact CD1-CD1 3.59Å; Q61-L65 WeakPolarHBondContact O-CB 3.22Å; Q61-L65 VanDerWaalsContact O-CG 3.31Å; Q61-L65 WeakPolarHBondContact O-CG 3.44Å; Q61-L65 PolarHBondContact O-N 2.97Å; G62-L65 PolarHBondContact O-N 3.42Å; L65-Q67 VanDerWaalsContact C-N 3.3Å; L65-Q67 PolarHBondContact O-N 2.92Å; L65-V68 WeakPolarHBondContact O-CB 3.38Å; L65-V68 PolarHBondContact O-N 3.43Å; L65-A69 PolarHBondContact O-N 3.01Å; L65-A69 VanDerWaalsContact O-N 3.08Å; L65-V84 HydrophobicContact CD2-CB 4.27Å; L65-V84 HydrophobicContact CD2-CG1 4.1Å; L65-V84 HydrophobicContact CD2-CG2 4.05Å; L65-I87 HydrophobicContact CD2-CB 4.21Å; L65-I87 HydrophobicContact CD2-CD1 4.01Å; L65-I87 HydrophobicContact CD2-CG2 4.1Å; L65-I87 HydrophobicContact CG-CG2 4.03Å |
| 66 | Y | 85.8 | Confident | 80.9 | Confident | 41 Ų | 41 | 54.9 Ų | 54.9 | 16% | 0.161 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 172.1 | -167.5 | -81.3 | 0 | 0 | 0 | 111.8 | L15 T23 L33 G62 K63 L64 A69 T70 | L15-Y66 HydrophobicContact CD1-CD2 3.96Å; L15-Y66 HydrophobicContact CD1-CE2 4.1Å; L15-Y66 HydrophobicContact CD2-CD2 3.96Å; L15-Y66 HydrophobicContact CD2-CE2 4.39Å; T23-Y66 HydrophobicContact CG2-CE2 4.22Å; L33-Y66 HydrophobicContact CD1-CD2 3.86Å; L33-Y66 HydrophobicContact CD1-CE2 3.76Å; L33-Y66 HydrophobicContact CD2-CD2 4.08Å; G62-Y66 WeakPolarHBondContact O-CB 3.43Å; G62-Y66 PolarHBondContact O-N 2.94Å; K63-Y66 PolarHBondContact O-N 3.33Å; L64-Y66 VanDerWaalsContact C-N 3.33Å; L64-Y66 PolarHBondContact O-N 3.28Å; Y66-A69 PolarHBondContact O-N 2.89Å; Y66-T70 HydrophobicContact CD1-CG2 4.14Å; Y66-T70 HydrophobicContact CE1-CG2 3.79Å; Y66-T70 PolarHBondContact O-N 2.94Å; Y66-T70 PolarHBondContact O-OG1 2.8Å |
| 67 | Q | 86 | Confident | 81.6 | Confident | 32 Ų | 32 | 56.2 Ų | 56.2 | 15% | 0.15 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.7 | -36.3 | 174.5 | -72.9 | 178 | -25.4 | 0 | 0 | 112.7 | K63 L64 L65 A69 T70 R71 D95 L98 | K63-Q67 WeakPolarHBondContact O-CG 3.38Å; K63-Q67 PolarHBondContact O-N 3.16Å; L64-Q67 CarbonylContact O-C 3.54Å; L64-Q67 WeakPolarHBondContact O-CB 3.42Å; L64-Q67 PolarHBondContact O-N 3.45Å; L64-Q67 VanDerWaalsContact O-N 3.13Å; L65-Q67 VanDerWaalsContact C-N 3.3Å; L65-Q67 PolarHBondContact O-N 2.92Å; Q67-A69 VanDerWaalsContact C-N 3.34Å; Q67-A69 PolarHBondContact O-N 3.36Å; Q67-T70 WeakPolarHBondContact CA-OG1 3.4Å; Q67-T70 PolarHBondContact O-N 3.04Å; Q67-T70 PolarHBondContact O-OG1 2.71Å; Q67-R71 WeakPolarHBondContact O-CB 3.4Å; Q67-R71 WeakPolarHBondContact O-CG 3.41Å; Q67-R71 PolarHBondContact O-N 2.76Å; Q67-D95 PolarHBondContact NE2-OD1 3.43Å; Q67-D95 PolarHBondContact OE1-OD1 3.1Å; Q67-L98 HydrophobicContact CB-CD2 3.56Å |
| 68 | V | 86.1 | Confident | 81.9 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59 | -47.2 | 171.5 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | I36 L64 L65 T70 L72 L83 I87 L98 | I36-V68 HydrophobicContact CD1-CG1 4.46Å; L64-V68 WeakPolarHBondContact O-CG2 3.3Å; L64-V68 PolarHBondContact O-N 3.01Å; L65-V68 WeakPolarHBondContact O-CB 3.38Å; L65-V68 PolarHBondContact O-N 3.43Å; V68-T70 PolarHBondContact O-N 2.78Å; V68-L72 HydrophobicContact CG1-CB 4.4Å; V68-L72 HydrophobicContact CG1-CD2 4.24Å; V68-L72 WeakPolarHBondContact O-CB 3.45Å; V68-L72 PolarHBondContact O-N 3.39Å; V68-L83 HydrophobicContact CG1-CD1 4.25Å; V68-L83 HydrophobicContact CG2-CB 4.38Å; V68-L83 HydrophobicContact CG2-CD1 4.4Å; V68-I87 HydrophobicContact CG2-CD1 3.47Å; V68-I87 VanDerWaalsContact CG2-CD1 3.47Å; V68-L98 HydrophobicContact CG2-CD1 3.68Å; V68-L98 HydrophobicContact CG2-CD2 4.28Å |
| 69 | A | 85.1 | Confident | 82.2 | Confident | 18 Ų | 18 | 59.9 Ų | 59.9 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.5 | -32.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L29 T32 L33 I36 L65 Y66 Q67 | L29-A69 HydrophobicContact CD1-CB 3.92Å; T32-A69 HydrophobicContact CG2-CB 4.09Å; L33-A69 HydrophobicContact CD2-CB 3.4Å; L33-A69 HydrophobicContact CG-CB 3.85Å; I36-A69 HydrophobicContact CD1-CB 3.77Å; L65-A69 PolarHBondContact O-N 3.01Å; L65-A69 VanDerWaalsContact O-N 3.08Å; Y66-A69 PolarHBondContact O-N 2.89Å; Q67-A69 VanDerWaalsContact C-N 3.34Å; Q67-A69 PolarHBondContact O-N 3.36Å |
| 70 | T | 84.9 | Confident | 82.5 | Confident | 73 Ų | 73 | 59 Ų | 59 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -92.6 | -30.3 | -176.1 | 49.8 | 0 | 0 | 0 | 0 | 113.9 | L29 Y66 Q67 V68 | L29-T70 HydrophobicContact CD1-CG2 3.7Å; L29-T70 HydrophobicContact CD2-CG2 4.19Å; Y66-T70 HydrophobicContact CD1-CG2 4.14Å; Y66-T70 HydrophobicContact CE1-CG2 3.79Å; Y66-T70 PolarHBondContact O-N 2.94Å; Y66-T70 PolarHBondContact O-OG1 2.8Å; Q67-T70 WeakPolarHBondContact CA-OG1 3.4Å; Q67-T70 PolarHBondContact O-N 3.04Å; Q67-T70 PolarHBondContact O-OG1 2.71Å; V68-T70 PolarHBondContact O-N 2.78Å |
| 71 | R | 86.1 | Confident | 82.7 | Confident | 94 Ų | 94 | 59.1 Ų | 59.1 | 36% | 0.355 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -105.9 | -18.1 | -172 | -59 | 172.6 | 63.6 | -178.6 | -1.8 | 113.9 | Q67 K73 D95 T99 L102 | Q67-R71 WeakPolarHBondContact O-CB 3.4Å; Q67-R71 WeakPolarHBondContact O-CG 3.41Å; Q67-R71 PolarHBondContact O-N 2.76Å; R71-K73 PolarHBondContact O-N 3Å; R71-D95 IonicContact NH1-OD1 2.61Å; R71-D95 PolarHBondContact NH1-OD1 2.95Å; R71-D95 IonicContact NH1-OD2 2.88Å; R71-D95 PolarHBondContact NH1-OD2 2.91Å; R71-T99 PolarHBondContact NH1-OG1 2.67Å; R71-T99 VanDerWaalsContact NH1-OG1 3.17Å; R71-T99 PolarHBondContact NH2-OG1 3.49Å; R71-L102 HydrophobicContact CB-CD1 3.58Å |
| 72 | L | 83.4 | Confident | 82.8 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | trans | -69.4 | 118.4 | 179.1 | -173.1 | 66.5 | 0 | 0 | 0 | 110.6 | V68 C76 L77 R80 L83 L102 | V68-L72 HydrophobicContact CG1-CB 4.4Å; V68-L72 HydrophobicContact CG1-CD2 4.24Å; V68-L72 WeakPolarHBondContact O-CB 3.45Å; V68-L72 PolarHBondContact O-N 3.39Å; L72-C76 HydrophobicContact CD1-CB 3.7Å; L72-C76 HydrophobicContact CG-CB 4.45Å; L72-L77 HydrophobicContact CD2-CD2 4.21Å; L72-R80 HydrophobicContact CD2-CB 3.79Å; L72-R80 HydrophobicContact CD2-CG 4.06Å; L72-L83 HydrophobicContact CD1-CD1 3.9Å; L72-L102 HydrophobicContact CB-CD2 4.18Å; L72-L102 HydrophobicContact CD1-CD2 3.64Å | ||
| 73 | K | 80.8 | Confident | 82.8 | Confident | 122 Ų | 122 | 61.1 Ų | 61.1 | 53% | 0.53 | 29% | 0.288 | S | S | . | . | trans | -70.7 | 146 | 177.7 | -65.3 | -172.3 | 179.6 | 177.4 | 0 | 110.5 | R71 Q75 C76 L106 | R71-K73 PolarHBondContact O-N 3Å; K73-Q75 PolarHBondContact O-N 3.23Å; K73-C76 PolarHBondContact O-N 2.83Å; K73-L106 HydrophobicContact CD-CD1 3.72Å; K73-L106 HydrophobicContact CD-CD2 3.95Å; K73-L106 HydrophobicContact CD-CG 4.47Å; K73-L106 VanDerWaalsContact NZ-CD2 3.25Å | ||
| 74 | K | 76.6 | Confident | 82.7 | Confident | 189 Ų | 189 | 54.9 Ų | 54.9 | 82% | 0.822 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -50.6 | -33.9 | -179.1 | -67.6 | -174.7 | 178.2 | -177.4 | 0 | 113.8 | C76 L77 | K74-C76 VanDerWaalsContact C-N 3.26Å; K74-C76 PolarHBondContact O-N 2.95Å; K74-L77 HydrophobicContact CB-CD1 4.3Å; K74-L77 WeakPolarHBondContact O-CB 3.33Å; K74-L77 WeakPolarHBondContact O-CD1 3.47Å; K74-L77 VanDerWaalsContact O-CG 3.31Å; K74-L77 WeakPolarHBondContact O-CG 3.24Å; K74-L77 PolarHBondContact O-N 3.05Å |
| 75 | Q | 77 | Confident | 82.5 | Confident | 133 Ų | 133 | 58.3 Ų | 58.3 | 62% | 0.621 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -67.2 | -23.3 | -179.8 | -60.6 | 172.9 | 3.8 | 0 | 0 | 113.6 | K73 V109 | K73-Q75 PolarHBondContact O-N 3.23Å; Q75-V109 HydrophobicContact CB-CG1 4.02Å; Q75-V109 HydrophobicContact CB-CG2 4.37Å |
| 76 | C | 79.4 | Confident | 82.3 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -102.1 | 7.4 | -177.8 | -54.3 | 0 | 0 | 0 | 0 | 112.7 | L72 K73 K74 K78 H79 L105 | L72-C76 HydrophobicContact CD1-CB 3.7Å; L72-C76 HydrophobicContact CG-CB 4.45Å; K73-C76 PolarHBondContact O-N 2.83Å; K74-C76 VanDerWaalsContact C-N 3.26Å; K74-C76 PolarHBondContact O-N 2.95Å; C76-K78 PolarHBondContact O-N 3.31Å; C76-K78 VanDerWaalsContact O-N 3.12Å; C76-H79 PolarHBondContact O-N 2.95Å; C76-L105 HydrophobicContact CB-CB 4.33Å; C76-L105 PolarHBondContact SG-O 2.86Å |
| 77 | L | 79.2 | Confident | 82.2 | Confident | 86 Ų | 86 | 56.9 Ų | 56.9 | 45% | 0.45 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -56.9 | -30 | -176.6 | -77.5 | 168.9 | 0 | 0 | 0 | 113.2 | L72 K74 H79 R80 | L72-L77 HydrophobicContact CD2-CD2 4.21Å; K74-L77 HydrophobicContact CB-CD1 4.3Å; K74-L77 WeakPolarHBondContact O-CB 3.33Å; K74-L77 WeakPolarHBondContact O-CD1 3.47Å; K74-L77 VanDerWaalsContact O-CG 3.31Å; K74-L77 WeakPolarHBondContact O-CG 3.24Å; K74-L77 PolarHBondContact O-N 3.05Å; L77-H79 PolarHBondContact O-N 2.96Å; L77-H79 VanDerWaalsContact O-N 3.16Å; L77-R80 VanDerWaalsContact O-CB 3.23Å; L77-R80 WeakPolarHBondContact O-CB 3.33Å; L77-R80 PolarHBondContact O-N 2.83Å |
| 78 | K | 78.7 | Confident | 81.8 | Confident | 119 Ų | 119 | 55.4 Ų | 55.4 | 52% | 0.517 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -57.7 | -25.8 | 174.6 | 64.4 | 174.9 | 173.9 | 164 | 0 | 113.7 | C76 V109 | C76-K78 PolarHBondContact O-N 3.31Å; C76-K78 VanDerWaalsContact O-N 3.12Å; K78-V109 VanDerWaalsContact CE-O 3.24Å; K78-V109 WeakPolarHBondContact CE-O 3.42Å; K78-V109 PolarHBondContact NZ-O 2.71Å |
| 79 | H | 82.1 | Confident | 81.4 | Confident | 27 Ų | 27 | 59 Ų | 59 | 13% | 0.125 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -99.2 | 6.1 | 178.9 | -59.7 | -65.6 | 0 | 0 | 0 | 113.2 | C76 L77 T81 L82 L83 L105 F113 | C76-H79 PolarHBondContact O-N 2.95Å; L77-H79 PolarHBondContact O-N 2.96Å; L77-H79 VanDerWaalsContact O-N 3.16Å; H79-T81 VanDerWaalsContact C-N 3.32Å; H79-T81 PolarHBondContact O-N 3.37Å; H79-L82 WeakPolarHBondContact O-CB 3.37Å; H79-L82 PolarHBondContact O-N 2.69Å; H79-L82 VanDerWaalsContact O-N 3.13Å; H79-L83 PolarHBondContact O-N 3.28Å; H79-L105 HydrophobicContact CB-CD1 4.01Å; H79-L105 HydrophobicContact CB-CD2 3.71Å; H79-L105 HydrophobicContact CB-CG 4.45Å; H79-F113 AromaticContact CE1-CE1 3.51Å; H79-F113 AromaticContact CE1-CZ 3.82Å; H79-F113 AromaticContact ND1-CE1 3.99Å; H79-F113 AromaticContact ND1-CZ 3.86Å; H79-F113 AromaticContact NE2-CE1 3.71Å |
| 80 | R | 81.4 | Confident | 81 | Confident | 44 Ų | 44 | 62.5 Ų | 62.5 | 17% | 0.166 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55 | -48 | 178.9 | -177.5 | 177.3 | 71.9 | -175.3 | -3.3 | 111.5 | S35 I36 E39 L72 L77 L82 L83 V84 | S35-R80 PolarHBondContact OG-NH1 3.12Å; S35-R80 PolarHBondContact OG-NH2 3.31Å; I36-R80 HydrophobicContact CG1-CG 4.43Å; E39-R80 IonicContact OE1-CZ 3.93Å; E39-R80 IonicContact OE1-NE 3.68Å; E39-R80 PolarHBondContact OE1-NE 3.34Å; E39-R80 IonicContact OE1-NH2 2.95Å; E39-R80 PolarHBondContact OE1-NH2 2.79Å; E39-R80 IonicContact OE2-NE 3.95Å; L72-R80 HydrophobicContact CD2-CB 3.79Å; L72-R80 HydrophobicContact CD2-CG 4.06Å; L77-R80 VanDerWaalsContact O-CB 3.23Å; L77-R80 WeakPolarHBondContact O-CB 3.33Å; L77-R80 PolarHBondContact O-N 2.83Å; R80-L82 PolarHBondContact O-N 3.5Å; R80-L83 PolarHBondContact O-N 2.67Å; R80-L83 VanDerWaalsContact O-N 3.12Å; R80-V84 HydrophobicContact CG-CG2 4.2Å; R80-V84 WeakPolarHBondContact O-CG2 3.37Å; R80-V84 PolarHBondContact O-N 2.7Å |
| 81 | T | 81.2 | Confident | 80.5 | Confident | 77 Ų | 77 | 63.9 Ų | 63.9 | 47% | 0.472 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.5 | -30.7 | -178.5 | -50.2 | 0 | 0 | 0 | 0 | 112.3 | E39 H79 K85 | E39-T81 WeakPolarHBondContact OE2-CA 3.44Å; E39-T81 PolarHBondContact OE2-OG1 3.26Å; H79-T81 VanDerWaalsContact C-N 3.32Å; H79-T81 PolarHBondContact O-N 3.37Å; T81-K85 VanDerWaalsContact O-CB 3.23Å; T81-K85 WeakPolarHBondContact O-CB 3.29Å; T81-K85 PolarHBondContact O-N 3.38Å |
| 82 | L | 82.3 | Confident | 80.4 | Confident | 58 Ų | 58 | 59.5 Ų | 59.5 | 30% | 0.304 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.1 | -49.1 | 173.2 | -178.6 | 67.4 | 0 | 0 | 0 | 111.2 | H79 R80 V84 K85 E86 F113 F118 | H79-L82 WeakPolarHBondContact O-CB 3.37Å; H79-L82 PolarHBondContact O-N 2.69Å; H79-L82 VanDerWaalsContact O-N 3.13Å; R80-L82 PolarHBondContact O-N 3.5Å; L82-V84 PolarHBondContact O-N 3.31Å; L82-K85 PolarHBondContact O-N 3.46Å; L82-E86 HydrophobicContact CD1-CG 4.43Å; L82-E86 WeakPolarHBondContact O-CG 3.48Å; L82-E86 PolarHBondContact O-N 2.87Å; L82-F113 HydrophobicContact CD2-CE2 4.1Å; L82-F113 HydrophobicContact CD2-CZ 4.06Å; L82-F118 HydrophobicContact CD2-CD1 4.15Å; L82-F118 HydrophobicContact CD2-CE1 4Å; L82-F118 HydrophobicContact CD2-CG 4.48Å; L82-F118 HydrophobicContact CD2-CZ 4.22Å; L82-F118 HydrophobicContact CG-CE1 4.27Å |
| 83 | L | 84 | Confident | 80.4 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 178.1 | -73 | 173.5 | 0 | 0 | 0 | 112.2 | V68 L72 H79 R80 K85 E86 I87 I92 L98 A101 L102 L105 F118 | V68-L83 HydrophobicContact CG1-CD1 4.25Å; V68-L83 HydrophobicContact CG2-CB 4.38Å; V68-L83 HydrophobicContact CG2-CD1 4.4Å; L72-L83 HydrophobicContact CD1-CD1 3.9Å; H79-L83 PolarHBondContact O-N 3.28Å; R80-L83 PolarHBondContact O-N 2.67Å; R80-L83 VanDerWaalsContact O-N 3.12Å; L83-K85 VanDerWaalsContact C-N 3.29Å; L83-K85 PolarHBondContact O-N 2.85Å; L83-E86 PolarHBondContact O-N 3.35Å; L83-I87 VanDerWaalsContact O-CG1 3.31Å; L83-I87 WeakPolarHBondContact O-CG1 3.4Å; L83-I87 PolarHBondContact O-N 2.9Å; L83-I92 HydrophobicContact CD2-CD1 4.13Å; L83-L98 HydrophobicContact CD2-CD1 4.47Å; L83-A101 HydrophobicContact CD2-CB 3.75Å; L83-L102 HydrophobicContact CD1-CD2 3.98Å; L83-L105 HydrophobicContact CD1-CD1 3.64Å; L83-L105 HydrophobicContact CD2-CD1 3.96Å; L83-L105 HydrophobicContact CG-CD1 3.76Å; L83-F118 HydrophobicContact CD2-CZ 4.03Å |
| 84 | V | 83.2 | Confident | 80.4 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.03 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 178.6 | 173.6 | 0 | 0 | 0 | 0 | 110 | I36 V40 L65 R80 L82 I87 C88 | I36-V84 HydrophobicContact CG1-CG2 4.29Å; I36-V84 HydrophobicContact CG2-CG1 4.35Å; I36-V84 HydrophobicContact CG2-CG2 3.84Å; V40-V84 HydrophobicContact CG2-CG1 3.5Å; L65-V84 HydrophobicContact CD2-CB 4.27Å; L65-V84 HydrophobicContact CD2-CG1 4.1Å; L65-V84 HydrophobicContact CD2-CG2 4.05Å; R80-V84 HydrophobicContact CG-CG2 4.2Å; R80-V84 WeakPolarHBondContact O-CG2 3.37Å; R80-V84 PolarHBondContact O-N 2.7Å; L82-V84 PolarHBondContact O-N 3.31Å; V84-I87 PolarHBondContact O-N 3.02Å; V84-C88 WeakPolarHBondContact O-CB 3.44Å; V84-C88 PolarHBondContact O-N 3.39Å; V84-C88 PolarHBondContact O-SG 3.38Å |
| 85 | K | 82.3 | Confident | 80.7 | Confident | 79 Ų | 79 | 52.1 Ų | 52.1 | 34% | 0.343 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 178.4 | -172.8 | 172.8 | -168.5 | 162.1 | 0 | 113.1 | E43 T81 L82 L83 C88 K89 | E43-K85 WeakPolarHBondContact OE1-CD 3.32Å; E43-K85 WeakPolarHBondContact OE1-CE 3.35Å; E43-K85 IonicContact OE1-NZ 3.64Å; E43-K85 PolarHBondContact OE1-NZ 2.76Å; T81-K85 VanDerWaalsContact O-CB 3.23Å; T81-K85 WeakPolarHBondContact O-CB 3.29Å; T81-K85 PolarHBondContact O-N 3.38Å; L82-K85 PolarHBondContact O-N 3.46Å; L83-K85 VanDerWaalsContact C-N 3.29Å; L83-K85 PolarHBondContact O-N 2.85Å; K85-C88 PolarHBondContact O-N 3.17Å; K85-K89 HydrophobicContact CG-CD 4.42Å; K85-K89 VanDerWaalsContact O-CG 3.28Å; K85-K89 WeakPolarHBondContact O-CG 3.38Å; K85-K89 PolarHBondContact O-N 3.35Å; K85-K89 VanDerWaalsContact O-N 3.08Å |
| 86 | E | 82.3 | Confident | 81 | Confident | 12 Ų | 12 | 49.4 Ų | 49.4 | 6% | 0.056 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -73.4 | -31.7 | -179.8 | -64.9 | -52.2 | 117.4 | 0 | 0 | 112.9 | L82 L83 K89 R91 I92 F118 I124 | L82-E86 HydrophobicContact CD1-CG 4.43Å; L82-E86 WeakPolarHBondContact O-CG 3.48Å; L82-E86 PolarHBondContact O-N 2.87Å; L83-E86 PolarHBondContact O-N 3.35Å; E86-K89 IonicContact OE1-NZ 2.74Å; E86-K89 PolarHBondContact OE1-NZ 3.37Å; E86-R91 WeakPolarHBondContact O-CB 3.31Å; E86-R91 PolarHBondContact O-N 3.28Å; E86-R91 WeakPolarHBondContact OE2-CD 3.49Å; E86-R91 IonicContact OE2-NE 3.36Å; E86-R91 IonicContact OE2-NH1 3.87Å; E86-I92 HydrophobicContact CB-CD1 3.95Å; E86-I92 HydrophobicContact CB-CG1 4.19Å; E86-I92 PolarHBondContact O-N 3.49Å; E86-F118 HydrophobicContact CG-CE1 4.49Å; E86-I124 HydrophobicContact CG-CD1 4.46Å |
| 87 | I | 83.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.8 | -45.5 | 170.9 | -67.5 | 163.5 | 0 | 0 | 0 | 110.6 | Q61 L64 L65 V68 L83 V84 K89 D90 I92 L98 | Q61-I87 HydrophobicContact CB-CG2 4.34Å; Q61-I87 HydrophobicContact CG-CG2 4.38Å; L64-I87 HydrophobicContact CB-CD1 4.04Å; L64-I87 HydrophobicContact CB-CG1 4.34Å; L64-I87 HydrophobicContact CB-CG2 3.94Å; L64-I87 HydrophobicContact CD1-CG2 4.29Å; L65-I87 HydrophobicContact CD2-CB 4.21Å; L65-I87 HydrophobicContact CD2-CD1 4.01Å; L65-I87 HydrophobicContact CD2-CG2 4.1Å; L65-I87 HydrophobicContact CG-CG2 4.03Å; V68-I87 HydrophobicContact CG2-CD1 3.47Å; V68-I87 VanDerWaalsContact CG2-CD1 3.47Å; L83-I87 VanDerWaalsContact O-CG1 3.31Å; L83-I87 WeakPolarHBondContact O-CG1 3.4Å; L83-I87 PolarHBondContact O-N 2.9Å; V84-I87 PolarHBondContact O-N 3.02Å; I87-K89 VanDerWaalsContact C-N 3.28Å; I87-K89 PolarHBondContact O-N 3.28Å; I87-D90 PolarHBondContact O-N 3.28Å; I87-I92 HydrophobicContact CG1-CB 3.95Å; I87-I92 HydrophobicContact CG1-CD1 4.46Å; I87-I92 HydrophobicContact CG1-CG2 4.15Å; I87-L98 HydrophobicContact CD1-CD1 4.39Å |
| 88 | C | 78.4 | Confident | 81.5 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.4 | -32.1 | 179.6 | -71.5 | 0 | 0 | 0 | 0 | 112.7 | W46 Q61 V84 K85 D90 | W46-C88 HydrophobicContact CD2-CB 4.12Å; W46-C88 HydrophobicContact CG-CB 4.44Å; W46-C88 WeakPolarHBondContact CH2-O 3.49Å; W46-C88 VanDerWaalsContact CZ2-C 3.42Å; W46-C88 HydrophobicContact CZ2-CB 3.99Å; W46-C88 WeakPolarHBondContact CZ2-O 3.46Å; W46-C88 WeakPolarHBondContact CZ3-O 3.45Å; Q61-C88 PolarHBondContact NE2-O 2.79Å; V84-C88 WeakPolarHBondContact O-CB 3.44Å; V84-C88 PolarHBondContact O-N 3.39Å; V84-C88 PolarHBondContact O-SG 3.38Å; K85-C88 PolarHBondContact O-N 3.17Å; C88-D90 PolarHBondContact O-N 3.34Å |
| 89 | K | 78 | Confident | 81.8 | Confident | 77 Ų | 77 | 41.7 Ų | 41.7 | 34% | 0.335 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 4.5 | 173.3 | -72.1 | 173.7 | -175 | 167.4 | 0 | 114.4 | W46 K85 E86 I87 R91 | W46-K89 HydrophobicContact CZ2-CB 4.42Å; W46-K89 HydrophobicContact CZ2-CG 3.92Å; K85-K89 HydrophobicContact CG-CD 4.42Å; K85-K89 VanDerWaalsContact O-CG 3.28Å; K85-K89 WeakPolarHBondContact O-CG 3.38Å; K85-K89 PolarHBondContact O-N 3.35Å; K85-K89 VanDerWaalsContact O-N 3.08Å; E86-K89 IonicContact OE1-NZ 2.74Å; E86-K89 PolarHBondContact OE1-NZ 3.37Å; I87-K89 VanDerWaalsContact C-N 3.28Å; I87-K89 PolarHBondContact O-N 3.28Å; K89-R91 HydrophobicContact CB-CB 4.49Å; K89-R91 HydrophobicContact CB-CG 4.07Å; K89-R91 PolarHBondContact O-N 2.94Å |
| 90 | D | 75.1 | Confident | 81.9 | Confident | 91 Ų | 91 | 41.2 Ų | 41.2 | 49% | 0.487 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 32.9 | -172.3 | -66.3 | -45.4 | 0 | 0 | 0 | 113.4 | Q61 I87 C88 V93 | Q61-D90 VanDerWaalsContact NE2-CG 3.33Å; Q61-D90 PolarHBondContact NE2-OD1 2.91Å; Q61-D90 PolarHBondContact NE2-OD2 3.07Å; I87-D90 PolarHBondContact O-N 3.28Å; C88-D90 PolarHBondContact O-N 3.34Å; D90-V93 HydrophobicContact CB-CG1 4.24Å; D90-V93 WeakPolarHBondContact O-CG1 2.97Å |
| 91 | R | 76.4 | Confident | 82.1 | Confident | 102 Ų | 102 | 39.1 Ų | 39.1 | 39% | 0.385 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -94.4 | -26.5 | 177.7 | -78.4 | -179.1 | 170.7 | -149.1 | -5.2 | 113.1 | E86 K89 E119 I124 | E86-R91 WeakPolarHBondContact O-CB 3.31Å; E86-R91 PolarHBondContact O-N 3.28Å; E86-R91 WeakPolarHBondContact OE2-CD 3.49Å; E86-R91 IonicContact OE2-NE 3.36Å; E86-R91 IonicContact OE2-NH1 3.87Å; K89-R91 HydrophobicContact CB-CB 4.49Å; K89-R91 HydrophobicContact CB-CG 4.07Å; K89-R91 PolarHBondContact O-N 2.94Å; R91-E119 IonicContact NH1-OE1 3.34Å; R91-E119 PolarHBondContact NH1-OE1 2.86Å; R91-I124 HydrophobicContact CB-CG2 3.97Å; R91-I124 HydrophobicContact CG-CG2 4.38Å |
| 92 | I | 82.9 | Confident | 82.3 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | trans | -111.6 | 108.5 | 166.4 | -61.2 | 175.4 | 0 | 0 | 0 | 106.6 | L64 L83 E86 I87 Q97 L98 A101 I124 | L64-I92 WeakPolarHBondContact CD1-O 3.28Å; L83-I92 HydrophobicContact CD2-CD1 4.13Å; E86-I92 HydrophobicContact CB-CD1 3.95Å; E86-I92 HydrophobicContact CB-CG1 4.19Å; E86-I92 PolarHBondContact O-N 3.49Å; I87-I92 HydrophobicContact CG1-CB 3.95Å; I87-I92 HydrophobicContact CG1-CD1 4.46Å; I87-I92 HydrophobicContact CG1-CG2 4.15Å; I92-Q97 HydrophobicContact CG2-CB 3.98Å; I92-L98 HydrophobicContact CG2-CB 4.03Å; I92-A101 HydrophobicContact CD1-CB 4.33Å; I92-I124 HydrophobicContact CD1-CD1 4.36Å; I92-I124 HydrophobicContact CG1-CD1 4.26Å; I92-I124 HydrophobicContact CG1-CG1 3.94Å | ||
| 93 | V | 82.5 | Confident | 82.4 | Confident | 58 Ų | 58 | 40.2 Ų | 40.2 | 35% | 0.352 | 20% | 0.201 | S | C | . | . | trans | -118.6 | -15.2 | -173.6 | -66.8 | 0 | 0 | 0 | 0 | 113.2 | T60 D90 | T60-V93 VanDerWaalsContact CG2-O 3.31Å; T60-V93 WeakPolarHBondContact CG2-O 3.25Å; D90-V93 HydrophobicContact CB-CG1 4.24Å; D90-V93 WeakPolarHBondContact O-CG1 2.97Å | ||
| 94 | T | 82.6 | Confident | 82.4 | Confident | 56 Ų | 56 | 41.2 Ų | 41.2 | 34% | 0.344 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -116.7 | 154.6 | 179.3 | 66.6 | 0 | 0 | 0 | 0 | 113.1 | M96 Q97 L98 | T94-M96 PolarHBondContact O-N 2.88Å; T94-Q97 VanDerWaalsContact N-OE1 3.08Å; T94-Q97 PolarHBondContact O-N 3.33Å; T94-Q97 VanDerWaalsContact OG1-CG 3.27Å; T94-Q97 WeakPolarHBondContact OG1-CG 3.47Å; T94-Q97 PolarHBondContact OG1-N 3.16Å; T94-Q97 PolarHBondContact OG1-OE1 2.76Å; T94-L98 PolarHBondContact O-N 2.94Å; T94-L98 VanDerWaalsContact O-N 3.1Å |
| 95 | D | 82.6 | Confident | 82.4 | Confident | 67 Ų | 67 | 41 Ų | 41 | 36% | 0.358 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.2 | -30 | 172.6 | -176.2 | 91.9 | 0 | 0 | 0 | 111.9 | Q67 R71 L98 T99 | Q67-D95 PolarHBondContact NE2-OD1 3.43Å; Q67-D95 PolarHBondContact OE1-OD1 3.1Å; R71-D95 IonicContact NH1-OD1 2.61Å; R71-D95 PolarHBondContact NH1-OD1 2.95Å; R71-D95 IonicContact NH1-OD2 2.88Å; R71-D95 PolarHBondContact NH1-OD2 2.91Å; D95-L98 PolarHBondContact O-N 2.73Å; D95-T99 VanDerWaalsContact O-CB 3.29Å; D95-T99 WeakPolarHBondContact O-CB 3.24Å; D95-T99 PolarHBondContact O-N 3.22Å; D95-T99 PolarHBondContact O-OG1 2.83Å; D95-T99 PolarHBondContact OD2-OG1 3.48Å |
| 96 | M | 81.8 | Confident | 82.3 | Confident | 75 Ų | 75 | 40.2 Ų | 40.2 | 37% | 0.369 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -68.3 | -46.7 | 178.4 | -173.9 | 167 | 55.4 | 0 | 0 | 111.8 | T94 L98 T99 A100 P169 W170 | T94-M96 PolarHBondContact O-N 2.88Å; M96-L98 VanDerWaalsContact C-N 3.33Å; M96-L98 PolarHBondContact O-N 2.94Å; M96-T99 PolarHBondContact O-N 3.11Å; M96-A100 PolarHBondContact O-N 3.22Å; M96-P169 WeakPolarHBondContact CE-O 3.31Å; M96-W170 VanDerWaalsContact CE-CA 3.4Å; M96-W170 HydrophobicContact CE-CB 4.42Å; M96-W170 HydrophobicContact CE-CE3 4.24Å; M96-W170 VanDerWaalsContact CE-O 3.29Å; M96-W170 WeakPolarHBondContact CE-O 3.49Å; M96-W170 HydrophobicContact CG-CE3 4.22Å; M96-W170 HydrophobicContact CG-CZ3 4.24Å |
| 97 | Q | 84.5 | Confident | 82.1 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.028 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.1 | -43.4 | 172.9 | -71.2 | 168.9 | -40.4 | 0 | 0 | 111 | I92 T94 T99 A100 A101 C122 G123 V126 W170 | I92-Q97 HydrophobicContact CG2-CB 3.98Å; T94-Q97 VanDerWaalsContact N-OE1 3.08Å; T94-Q97 PolarHBondContact O-N 3.33Å; T94-Q97 VanDerWaalsContact OG1-CG 3.27Å; T94-Q97 WeakPolarHBondContact OG1-CG 3.47Å; T94-Q97 PolarHBondContact OG1-N 3.16Å; T94-Q97 PolarHBondContact OG1-OE1 2.76Å; Q97-T99 PolarHBondContact O-N 3.39Å; Q97-A100 PolarHBondContact O-N 2.95Å; Q97-A101 WeakPolarHBondContact O-CB 3.11Å; Q97-A101 PolarHBondContact O-N 2.82Å; Q97-C122 WeakPolarHBondContact CB-O 3.23Å; Q97-C122 WeakPolarHBondContact CG-O 3.41Å; Q97-G123 PolarHBondContact NE2-O 2.95Å; Q97-V126 PolarHBondContact NE2-O 2.99Å; Q97-W170 HydrophobicContact CG-CE3 3.97Å; Q97-W170 HydrophobicContact CG-CZ3 4.28Å |
| 98 | L | 85.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.5 | -41.2 | 176.1 | 178.3 | 59.1 | 0 | 0 | 0 | 112 | L64 Q67 V68 L83 I87 I92 T94 D95 M96 A101 L102 | L64-L98 HydrophobicContact CB-CD2 4.4Å; L64-L98 HydrophobicContact CD2-CB 4.21Å; L64-L98 HydrophobicContact CD2-CD2 3.91Å; Q67-L98 HydrophobicContact CB-CD2 3.56Å; V68-L98 HydrophobicContact CG2-CD1 3.68Å; V68-L98 HydrophobicContact CG2-CD2 4.28Å; L83-L98 HydrophobicContact CD2-CD1 4.47Å; I87-L98 HydrophobicContact CD1-CD1 4.39Å; I92-L98 HydrophobicContact CG2-CB 4.03Å; T94-L98 PolarHBondContact O-N 2.94Å; T94-L98 VanDerWaalsContact O-N 3.1Å; D95-L98 PolarHBondContact O-N 2.73Å; M96-L98 VanDerWaalsContact C-N 3.33Å; M96-L98 PolarHBondContact O-N 2.94Å; L98-A101 PolarHBondContact O-N 3.32Å; L98-L102 HydrophobicContact CD1-CD1 4.27Å; L98-L102 HydrophobicContact CD1-CG 4.16Å; L98-L102 HydrophobicContact CG-CD1 4.13Å; L98-L102 HydrophobicContact CG-CG 4.46Å; L98-L102 WeakPolarHBondContact O-CB 3.3Å; L98-L102 VanDerWaalsContact O-CG 3.24Å; L98-L102 WeakPolarHBondContact O-CG 3.29Å; L98-L102 PolarHBondContact O-N 3.45Å |
| 99 | T | 85.3 | Confident | 81.4 | Confident | 39 Ų | 39 | 47 Ų | 47 | 24% | 0.239 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 177.2 | -62 | 0 | 0 | 0 | 0 | 111.2 | R71 D95 M96 Q97 L102 Q103 | R71-T99 PolarHBondContact NH1-OG1 2.67Å; R71-T99 VanDerWaalsContact NH1-OG1 3.17Å; R71-T99 PolarHBondContact NH2-OG1 3.49Å; D95-T99 VanDerWaalsContact O-CB 3.29Å; D95-T99 WeakPolarHBondContact O-CB 3.24Å; D95-T99 PolarHBondContact O-N 3.22Å; D95-T99 PolarHBondContact O-OG1 2.83Å; D95-T99 PolarHBondContact OD2-OG1 3.48Å; M96-T99 PolarHBondContact O-N 3.11Å; Q97-T99 PolarHBondContact O-N 3.39Å; T99-L102 PolarHBondContact O-N 2.71Å; T99-Q103 PolarHBondContact O-N 3.33Å |
| 100 | A | 84.1 | Confident | 80.8 | Confident | 17 Ų | 17 | 52.1 Ų | 52.1 | 14% | 0.14 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M96 Q97 L102 Q103 F104 W170 | M96-A100 PolarHBondContact O-N 3.22Å; Q97-A100 PolarHBondContact O-N 2.95Å; A100-L102 PolarHBondContact O-N 3.32Å; A100-Q103 PolarHBondContact O-N 3.3Å; A100-F104 WeakPolarHBondContact O-CB 3.28Å; A100-F104 PolarHBondContact O-N 2.97Å; A100-W170 HydrophobicContact CB-CH2 3.44Å; A100-W170 VanDerWaalsContact CB-CH2 3.44Å; A100-W170 HydrophobicContact CB-CZ3 3.7Å |
| 101 | A | 85.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L83 I92 Q97 L98 Q103 F104 L105 F118 C122 | L83-A101 HydrophobicContact CD2-CB 3.75Å; I92-A101 HydrophobicContact CD1-CB 4.33Å; Q97-A101 WeakPolarHBondContact O-CB 3.11Å; Q97-A101 PolarHBondContact O-N 2.82Å; L98-A101 PolarHBondContact O-N 3.32Å; A101-Q103 PolarHBondContact O-N 3.28Å; A101-F104 PolarHBondContact O-N 3.23Å; A101-L105 WeakPolarHBondContact O-CB 3.24Å; A101-L105 WeakPolarHBondContact O-CG 3.3Å; A101-L105 PolarHBondContact O-N 2.8Å; A101-F118 HydrophobicContact CB-CE2 4.13Å; A101-F118 HydrophobicContact CB-CZ 4.08Å; A101-C122 WeakPolarHBondContact CA-SG 3.46Å; A101-C122 HydrophobicContact CB-CB 4.16Å; A101-C122 WeakPolarHBondContact CB-SG 3.25Å |
| 102 | L | 84.9 | Confident | 80.4 | Confident | 20 Ų | 20 | 54.1 Ų | 54.1 | 11% | 0.105 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 175.9 | -69.3 | 171.6 | 0 | 0 | 0 | 112.3 | R71 L72 L83 L98 T99 A100 L106 | R71-L102 HydrophobicContact CB-CD1 3.58Å; L72-L102 HydrophobicContact CB-CD2 4.18Å; L72-L102 HydrophobicContact CD1-CD2 3.64Å; L83-L102 HydrophobicContact CD1-CD2 3.98Å; L98-L102 HydrophobicContact CD1-CD1 4.27Å; L98-L102 HydrophobicContact CD1-CG 4.16Å; L98-L102 HydrophobicContact CG-CD1 4.13Å; L98-L102 HydrophobicContact CG-CG 4.46Å; L98-L102 WeakPolarHBondContact O-CB 3.3Å; L98-L102 VanDerWaalsContact O-CG 3.24Å; L98-L102 WeakPolarHBondContact O-CG 3.29Å; L98-L102 PolarHBondContact O-N 3.45Å; T99-L102 PolarHBondContact O-N 2.71Å; A100-L102 PolarHBondContact O-N 3.32Å; L102-L106 VanDerWaalsContact O-CB 3.31Å; L102-L106 WeakPolarHBondContact O-CB 3.5Å; L102-L106 PolarHBondContact O-N 2.92Å; L102-L106 VanDerWaalsContact O-N 3.11Å |
| 103 | Q | 83.7 | Confident | 80.2 | Confident | 138 Ų | 138 | 55.5 Ų | 55.5 | 65% | 0.645 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -67.2 | -43.3 | 174.9 | -93.6 | -176.6 | -25.1 | 0 | 0 | 112.3 | T99 A100 A101 L106 S107 | T99-Q103 PolarHBondContact O-N 3.33Å; A100-Q103 PolarHBondContact O-N 3.3Å; A101-Q103 PolarHBondContact O-N 3.28Å; Q103-L106 WeakPolarHBondContact O-CB 3.49Å; Q103-L106 PolarHBondContact O-N 3.17Å; Q103-S107 PolarHBondContact O-N 2.89Å; Q103-S107 PolarHBondContact O-OG 2.99Å |
| 104 | F | 84 | Confident | 80 | Confident | 22 Ų | 22 | 59 Ų | 59 | 10% | 0.096 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 178.3 | -177.6 | -86.2 | 0 | 0 | 0 | 111.7 | A100 A101 L106 S107 H108 F113 Q117 F118 A121 | A100-F104 WeakPolarHBondContact O-CB 3.28Å; A100-F104 PolarHBondContact O-N 2.97Å; A101-F104 PolarHBondContact O-N 3.23Å; F104-L106 PolarHBondContact O-N 2.85Å; F104-S107 WeakPolarHBondContact CA-OG 3.49Å; F104-S107 PolarHBondContact O-N 3.32Å; F104-S107 VanDerWaalsContact O-N 3.16Å; F104-S107 PolarHBondContact O-OG 2.8Å; F104-H108 AromaticContact CD2-CE1 3.82Å; F104-H108 AromaticContact CD2-ND1 3.83Å; F104-H108 HydrophobicContact CE1-CB 4.4Å; F104-H108 AromaticContact CE1-ND1 3.9Å; F104-H108 AromaticContact CE2-CE1 3.41Å; F104-H108 VanDerWaalsContact CE2-CE1 3.41Å; F104-H108 WeakPolarHBondContact CE2-CE1 3.31Å; F104-H108 AromaticContact CE2-ND1 3.69Å; F104-H108 AromaticContact CZ-CE1 3.71Å; F104-H108 AromaticContact CZ-ND1 3.73Å; F104-H108 AromaticContact CZ-NE2 3.99Å; F104-H108 PolarHBondContact O-N 3.09Å; F104-H108 PolarHBondContact O-ND1 3.45Å; F104-H108 VanDerWaalsContact O-ND1 3.1Å; F104-F113 HydrophobicContact CE1-CB 3.97Å; F104-F113 AromaticContact CE1-CD1 3.89Å; F104-F113 HydrophobicContact CE1-CD1 3.89Å; F104-F113 AromaticContact CE1-CD2 3.79Å; F104-F113 HydrophobicContact CE1-CD2 3.79Å; F104-F113 HydrophobicContact CE1-CE1 4.3Å; F104-F113 HydrophobicContact CE1-CE2 4.22Å; F104-F113 AromaticContact CE1-CG 3.61Å; F104-F113 HydrophobicContact CE1-CG 3.61Å; F104-F113 HydrophobicContact CE1-CZ 4.46Å; F104-F113 HydrophobicContact CZ-CB 3.99Å; F104-F113 HydrophobicContact CZ-CD2 4.42Å; F104-F113 HydrophobicContact CZ-CG 4.14Å; F104-Q117 HydrophobicContact CZ-CB 4.09Å; F104-F118 HydrophobicContact CD1-CB 4.46Å; F104-F118 AromaticContact CD1-CD2 3.59Å; F104-F118 HydrophobicContact CD1-CD2 3.59Å; F104-F118 HydrophobicContact CD1-CE2 4.38Å; F104-F118 HydrophobicContact CE1-CB 3.99Å; F104-F118 AromaticContact CE1-CD2 3.92Å; F104-F118 HydrophobicContact CE1-CD2 3.92Å; F104-F118 HydrophobicContact CE1-CG 4.48Å; F104-F118 HydrophobicContact CG-CD2 4.43Å; F104-F118 HydrophobicContact CZ-CB 4.5Å; F104-A121 HydrophobicContact CB-CB 4.32Å; F104-A121 HydrophobicContact CD2-CB 3.21Å; F104-A121 HydrophobicContact CE2-CB 3.65Å; F104-A121 HydrophobicContact CG-CB 3.91Å |
| 105 | L | 83.2 | Confident | 79.6 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.4 | -29.4 | 176.1 | -67.8 | 174.7 | 0 | 0 | 0 | 112.4 | C76 H79 L83 A101 V109 F113 F118 | C76-L105 HydrophobicContact CB-CB 4.33Å; C76-L105 PolarHBondContact SG-O 2.86Å; H79-L105 HydrophobicContact CB-CD1 4.01Å; H79-L105 HydrophobicContact CB-CD2 3.71Å; H79-L105 HydrophobicContact CB-CG 4.45Å; L83-L105 HydrophobicContact CD1-CD1 3.64Å; L83-L105 HydrophobicContact CD2-CD1 3.96Å; L83-L105 HydrophobicContact CG-CD1 3.76Å; A101-L105 WeakPolarHBondContact O-CB 3.24Å; A101-L105 WeakPolarHBondContact O-CG 3.3Å; A101-L105 PolarHBondContact O-N 2.8Å; L105-V109 VanDerWaalsContact O-CG2 3.29Å; L105-V109 WeakPolarHBondContact O-CG2 3.45Å; L105-V109 PolarHBondContact O-N 3.33Å; L105-F113 HydrophobicContact CD2-CE1 3.73Å; L105-F113 HydrophobicContact CD2-CZ 3.53Å; L105-F118 HydrophobicContact CD1-CE2 4.29Å; L105-F118 HydrophobicContact CD2-CD2 4.2Å; L105-F118 HydrophobicContact CD2-CE2 3.88Å; L105-F118 HydrophobicContact CG-CE2 3.92Å |
| 106 | L | 80.6 | Confident | 79.2 | Confident | 62 Ų | 62 | 60.2 Ų | 60.2 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -75.7 | -33 | 174.6 | -175.4 | 62 | 0 | 0 | 0 | 112.5 | K73 L102 Q103 F104 V109 | K73-L106 HydrophobicContact CD-CD1 3.72Å; K73-L106 HydrophobicContact CD-CD2 3.95Å; K73-L106 HydrophobicContact CD-CG 4.47Å; K73-L106 VanDerWaalsContact NZ-CD2 3.25Å; L102-L106 VanDerWaalsContact O-CB 3.31Å; L102-L106 WeakPolarHBondContact O-CB 3.5Å; L102-L106 PolarHBondContact O-N 2.92Å; L102-L106 VanDerWaalsContact O-N 3.11Å; Q103-L106 WeakPolarHBondContact O-CB 3.49Å; Q103-L106 PolarHBondContact O-N 3.17Å; F104-L106 PolarHBondContact O-N 2.85Å; L106-V109 HydrophobicContact CD1-CG2 4.22Å; L106-V109 VanDerWaalsContact O-CG2 3.28Å; L106-V109 WeakPolarHBondContact O-CG2 3.42Å |
| 107 | S | 78 | Confident | 79.1 | Confident | 83 Ų | 83 | 61.6 Ų | 61.6 | 58% | 0.58 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -78.9 | -21.8 | 175.1 | 59.5 | 0 | 0 | 0 | 0 | 113.1 | Q103 F104 | Q103-S107 PolarHBondContact O-N 2.89Å; Q103-S107 PolarHBondContact O-OG 2.99Å; F104-S107 WeakPolarHBondContact CA-OG 3.49Å; F104-S107 PolarHBondContact O-N 3.32Å; F104-S107 VanDerWaalsContact O-N 3.16Å; F104-S107 PolarHBondContact O-OG 2.8Å |
| 108 | H | 77.5 | Confident | 78.9 | Confident | 45 Ų | 45 | 61.5 Ų | 61.5 | 21% | 0.208 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | 29 | 179.7 | -64.1 | 75.6 | 0 | 0 | 0 | 113.5 | F104 M110 V111 F113 | F104-H108 AromaticContact CD2-CE1 3.82Å; F104-H108 AromaticContact CD2-ND1 3.83Å; F104-H108 HydrophobicContact CE1-CB 4.4Å; F104-H108 AromaticContact CE1-ND1 3.9Å; F104-H108 AromaticContact CE2-CE1 3.41Å; F104-H108 VanDerWaalsContact CE2-CE1 3.41Å; F104-H108 WeakPolarHBondContact CE2-CE1 3.31Å; F104-H108 AromaticContact CE2-ND1 3.69Å; F104-H108 AromaticContact CZ-CE1 3.71Å; F104-H108 AromaticContact CZ-ND1 3.73Å; F104-H108 AromaticContact CZ-NE2 3.99Å; F104-H108 PolarHBondContact O-N 3.09Å; F104-H108 PolarHBondContact O-ND1 3.45Å; F104-H108 VanDerWaalsContact O-ND1 3.1Å; H108-M110 PolarHBondContact O-N 2.99Å; H108-V111 PolarHBondContact O-N 3.46Å; H108-V111 VanDerWaalsContact O-O 3.06Å; H108-F113 HydrophobicContact CB-CD1 3.88Å |
| 109 | V | 70.2 | Confident | 78.5 | Confident | 28 Ų | 28 | 65.1 Ų | 65.1 | 17% | 0.17 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -55.7 | -37.5 | -179 | 173.4 | 0 | 0 | 0 | 0 | 112.7 | Q75 K78 L105 L106 | Q75-V109 HydrophobicContact CB-CG1 4.02Å; Q75-V109 HydrophobicContact CB-CG2 4.37Å; K78-V109 VanDerWaalsContact CE-O 3.24Å; K78-V109 WeakPolarHBondContact CE-O 3.42Å; K78-V109 PolarHBondContact NZ-O 2.71Å; L105-V109 VanDerWaalsContact O-CG2 3.29Å; L105-V109 WeakPolarHBondContact O-CG2 3.45Å; L105-V109 PolarHBondContact O-N 3.33Å; L106-V109 HydrophobicContact CD1-CG2 4.22Å; L106-V109 VanDerWaalsContact O-CG2 3.28Å; L106-V109 WeakPolarHBondContact O-CG2 3.42Å |
| 110 | M | 66.4 | Low | 78.1 | Confident | 184 Ų | 184 | 66.9 Ų | 66.9 | 91% | 0.906 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -106.9 | -4.2 | -175.3 | -69.1 | -171.3 | 155.7 | 0 | 0 | 114.5 | H108 | H108-M110 PolarHBondContact O-N 2.99Š|
| 111 | V | 70.9 | Confident | 77.8 | Confident | 89 Ų | 89 | 67.9 Ų | 67.9 | 54% | 0.539 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -116.9 | 123 | -175.3 | -177.7 | 0 | 0 | 0 | 0 | 108.2 | H108 F113 | H108-V111 PolarHBondContact O-N 3.46Å; H108-V111 VanDerWaalsContact O-O 3.06Å; V111-F113 PolarHBondContact O-N 3.11Å |
| 112 | D | 71 | Confident | 77.5 | Confident | 146 Ų | 146 | 67.9 Ų | 67.9 | 78% | 0.781 | 38% | 0.38 | S | S | * | . | trans | -65.4 | 130.7 | 170.7 | -68.5 | -35.6 | 0 | 0 | 0 | 108.9 | ||||
| 113 | F | 78.1 | Confident | 77 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 14% | 0.136 | 38% | 0.375 | C | S | . | . | trans | -113.6 | 144 | -178.3 | 55.7 | -95.7 | 0 | 0 | 0 | 109.9 | H79 L82 F104 L105 H108 V111 F118 | H79-F113 AromaticContact CE1-CE1 3.51Å; H79-F113 AromaticContact CE1-CZ 3.82Å; H79-F113 AromaticContact ND1-CE1 3.99Å; H79-F113 AromaticContact ND1-CZ 3.86Å; H79-F113 AromaticContact NE2-CE1 3.71Å; L82-F113 HydrophobicContact CD2-CE2 4.1Å; L82-F113 HydrophobicContact CD2-CZ 4.06Å; F104-F113 HydrophobicContact CE1-CB 3.97Å; F104-F113 AromaticContact CE1-CD1 3.89Å; F104-F113 HydrophobicContact CE1-CD1 3.89Å; F104-F113 AromaticContact CE1-CD2 3.79Å; F104-F113 HydrophobicContact CE1-CD2 3.79Å; F104-F113 HydrophobicContact CE1-CE1 4.3Å; F104-F113 HydrophobicContact CE1-CE2 4.22Å; F104-F113 AromaticContact CE1-CG 3.61Å; F104-F113 HydrophobicContact CE1-CG 3.61Å; F104-F113 HydrophobicContact CE1-CZ 4.46Å; F104-F113 HydrophobicContact CZ-CB 3.99Å; F104-F113 HydrophobicContact CZ-CD2 4.42Å; F104-F113 HydrophobicContact CZ-CG 4.14Å; L105-F113 HydrophobicContact CD2-CE1 3.73Å; L105-F113 HydrophobicContact CD2-CZ 3.53Å; H108-F113 HydrophobicContact CB-CD1 3.88Å; V111-F113 PolarHBondContact O-N 3.11Å; F113-F118 HydrophobicContact CD2-CB 3.67Å; F113-F118 HydrophobicContact CD2-CG 4.44Å; F113-F118 HydrophobicContact CE2-CB 3.55Å; F113-F118 AromaticContact CE2-CD2 3.95Å; F113-F118 HydrophobicContact CE2-CD2 3.95Å; F113-F118 AromaticContact CE2-CG 3.85Å; F113-F118 HydrophobicContact CE2-CG 3.85Å; F113-F118 HydrophobicContact CZ-CD2 4.24Å | ||
| 114 | E | 78.8 | Confident | 76.2 | Confident | 131 Ų | 131 | 61.2 Ų | 61.2 | 61% | 0.612 | 35% | 0.349 | S | S | * | . | trans | -68.5 | 143.5 | 172.5 | -77 | -67.3 | 153.9 | 0 | 0 | 110.3 | A116 Q117 F118 | E114-A116 PolarHBondContact O-N 3.12Å; E114-A116 VanDerWaalsContact O-N 3.1Å; E114-Q117 HydrophobicContact CB-CG 4.27Å; E114-Q117 WeakPolarHBondContact O-CB 3.5Å; E114-Q117 PolarHBondContact O-N 3.12Å; E114-F118 PolarHBondContact O-N 2.92Å | ||
| 115 | P | 75.2 | Confident | 75.1 | Confident | 83 Ų | 83 | 63.2 Ų | 63.2 | 54% | 0.539 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -51.4 | -37.8 | 178.2 | -28 | 35.2 | 0 | 0 | 0 | 113.2 | Q117 F118 E119 | P115-Q117 VanDerWaalsContact C-N 3.33Å; P115-Q117 PolarHBondContact O-N 3.13Å; P115-F118 PolarHBondContact O-N 2.98Å; P115-E119 WeakPolarHBondContact O-CB 3.48Å; P115-E119 WeakPolarHBondContact O-CG 3.32Å; P115-E119 PolarHBondContact O-N 2.71Å |
| 116 | A | 74.2 | Confident | 74.3 | Confident | 66 Ų | 66 | 66.3 Ų | 66.3 | 55% | 0.545 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.1 | -33.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E114 A120 | E114-A116 PolarHBondContact O-N 3.12Å; E114-A116 VanDerWaalsContact O-N 3.1Å; A116-A120 WeakPolarHBondContact O-CB 3.41Å; A116-A120 PolarHBondContact O-N 2.8Å |
| 117 | Q | 78.6 | Confident | 73.5 | Confident | 103 Ų | 103 | 67.9 Ų | 67.9 | 48% | 0.481 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.7 | -40.5 | 177.6 | -67.5 | 177.1 | -3.7 | 0 | 0 | 111.1 | F104 E114 P115 A121 | F104-Q117 HydrophobicContact CZ-CB 4.09Å; E114-Q117 HydrophobicContact CB-CG 4.27Å; E114-Q117 WeakPolarHBondContact O-CB 3.5Å; E114-Q117 PolarHBondContact O-N 3.12Å; P115-Q117 VanDerWaalsContact C-N 3.33Å; P115-Q117 PolarHBondContact O-N 3.13Å; Q117-A121 VanDerWaalsContact O-CB 3.28Å; Q117-A121 WeakPolarHBondContact O-CB 3.49Å; Q117-A121 PolarHBondContact O-N 2.98Å |
| 118 | F | 80 | Confident | 73 | Confident | 5 Ų | 5 | 65.2 Ų | 65.2 | 2% | 0.022 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.7 | -47.5 | 173.6 | 179 | -103.6 | 0 | 0 | 0 | 111.1 | L82 L83 E86 A101 F104 L105 F113 E114 P115 A120 A121 C122 I124 | L82-F118 HydrophobicContact CD2-CD1 4.15Å; L82-F118 HydrophobicContact CD2-CE1 4Å; L82-F118 HydrophobicContact CD2-CG 4.48Å; L82-F118 HydrophobicContact CD2-CZ 4.22Å; L82-F118 HydrophobicContact CG-CE1 4.27Å; L83-F118 HydrophobicContact CD2-CZ 4.03Å; E86-F118 HydrophobicContact CG-CE1 4.49Å; A101-F118 HydrophobicContact CB-CE2 4.13Å; A101-F118 HydrophobicContact CB-CZ 4.08Å; F104-F118 HydrophobicContact CD1-CB 4.46Å; F104-F118 AromaticContact CD1-CD2 3.59Å; F104-F118 HydrophobicContact CD1-CD2 3.59Å; F104-F118 HydrophobicContact CD1-CE2 4.38Å; F104-F118 HydrophobicContact CE1-CB 3.99Å; F104-F118 AromaticContact CE1-CD2 3.92Å; F104-F118 HydrophobicContact CE1-CD2 3.92Å; F104-F118 HydrophobicContact CE1-CG 4.48Å; F104-F118 HydrophobicContact CG-CD2 4.43Å; F104-F118 HydrophobicContact CZ-CB 4.5Å; L105-F118 HydrophobicContact CD1-CE2 4.29Å; L105-F118 HydrophobicContact CD2-CD2 4.2Å; L105-F118 HydrophobicContact CD2-CE2 3.88Å; L105-F118 HydrophobicContact CG-CE2 3.92Å; F113-F118 HydrophobicContact CD2-CB 3.67Å; F113-F118 HydrophobicContact CD2-CG 4.44Å; F113-F118 HydrophobicContact CE2-CB 3.55Å; F113-F118 AromaticContact CE2-CD2 3.95Å; F113-F118 HydrophobicContact CE2-CD2 3.95Å; F113-F118 AromaticContact CE2-CG 3.85Å; F113-F118 HydrophobicContact CE2-CG 3.85Å; F113-F118 HydrophobicContact CZ-CD2 4.24Å; E114-F118 PolarHBondContact O-N 2.92Å; P115-F118 PolarHBondContact O-N 2.98Å; F118-A120 PolarHBondContact O-N 3.31Å; F118-A121 PolarHBondContact O-N 3.12Å; F118-C122 VanDerWaalsContact CD2-SG 3.59Å; F118-C122 WeakPolarHBondContact CE2-SG 3.48Å; F118-C122 WeakPolarHBondContact O-CB 3.32Å; F118-C122 PolarHBondContact O-N 3.03Å; F118-C122 PolarHBondContact O-SG 3.34Å; F118-I124 HydrophobicContact CD1-CD1 3.72Å; F118-I124 HydrophobicContact CE1-CD1 3.4Å; F118-I124 VanDerWaalsContact CE1-CD1 3.4Å; F118-I124 HydrophobicContact CZ-CD1 4.27Å |
| 119 | E | 79 | Confident | 72.9 | Confident | 75 Ų | 75 | 64.6 Ų | 64.6 | 35% | 0.35 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.6 | -47 | 179.1 | -73.9 | -180 | 165.2 | 0 | 0 | 111.8 | R91 P115 G123 I124 | R91-E119 IonicContact NH1-OE1 3.34Å; R91-E119 PolarHBondContact NH1-OE1 2.86Å; P115-E119 WeakPolarHBondContact O-CB 3.48Å; P115-E119 WeakPolarHBondContact O-CG 3.32Å; P115-E119 PolarHBondContact O-N 2.71Å; E119-G123 PolarHBondContact O-N 2.82Å; E119-I124 HydrophobicContact CB-CB 4.22Å; E119-I124 HydrophobicContact CB-CG2 4.42Å; E119-I124 HydrophobicContact CG-CB 4.24Å; E119-I124 HydrophobicContact CG-CD1 4.37Å; E119-I124 HydrophobicContact CG-CG2 4Å; E119-I124 PolarHBondContact O-N 2.81Å |
| 120 | A | 76.6 | Confident | 72.8 | Confident | 76 Ų | 76 | 64.7 Ų | 64.7 | 63% | 0.628 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65.2 | -41.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A116 F118 | A116-A120 WeakPolarHBondContact O-CB 3.41Å; A116-A120 PolarHBondContact O-N 2.8Å; F118-A120 PolarHBondContact O-N 3.31Å |
| 121 | A | 78.2 | Confident | 72.6 | Confident | 38 Ų | 38 | 58.7 Ų | 58.7 | 31% | 0.314 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -72.2 | -28.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F104 Q117 F118 W170 | F104-A121 HydrophobicContact CB-CB 4.32Å; F104-A121 HydrophobicContact CD2-CB 3.21Å; F104-A121 HydrophobicContact CE2-CB 3.65Å; F104-A121 HydrophobicContact CG-CB 3.91Å; Q117-A121 VanDerWaalsContact O-CB 3.28Å; Q117-A121 WeakPolarHBondContact O-CB 3.49Å; Q117-A121 PolarHBondContact O-N 2.98Å; F118-A121 PolarHBondContact O-N 3.12Å; A121-W170 VanDerWaalsContact O-CH2 3.27Å; A121-W170 WeakPolarHBondContact O-CH2 3.41Å; A121-W170 WeakPolarHBondContact O-CZ2 3.45Å |
| 122 | C | 78.2 | Confident | 72.7 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -90.5 | -10.6 | -179.5 | -58.2 | 0 | 0 | 0 | 0 | 113.3 | Q97 A101 F118 I124 W170 | Q97-C122 WeakPolarHBondContact CB-O 3.23Å; Q97-C122 WeakPolarHBondContact CG-O 3.41Å; A101-C122 WeakPolarHBondContact CA-SG 3.46Å; A101-C122 HydrophobicContact CB-CB 4.16Å; A101-C122 WeakPolarHBondContact CB-SG 3.25Å; F118-C122 VanDerWaalsContact CD2-SG 3.59Å; F118-C122 WeakPolarHBondContact CE2-SG 3.48Å; F118-C122 WeakPolarHBondContact O-CB 3.32Å; F118-C122 PolarHBondContact O-N 3.03Å; F118-C122 PolarHBondContact O-SG 3.34Å; C122-I124 VanDerWaalsContact C-N 3.29Å; C122-I124 HydrophobicContact CB-CD1 3.77Å; C122-I124 HydrophobicContact CB-CG1 3.75Å; C122-W170 WeakPolarHBondContact O-CH2 3.18Å |
| 123 | G | 73.9 | Confident | 73 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 30.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q97 E119 G125 V126 | Q97-G123 PolarHBondContact NE2-O 2.95Å; E119-G123 PolarHBondContact O-N 2.82Å; G123-G125 PolarHBondContact O-N 3.21Å; G123-V126 PolarHBondContact O-N 3.34Å; G123-V126 VanDerWaalsContact O-N 3.07Å |
| 124 | I | 67.1 | Low | 72.9 | Confident | 18 Ų | 18 | 53 Ų | 53 | 9% | 0.092 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 126.2 | -179.7 | -77 | 165 | 0 | 0 | 0 | 109.1 | E86 R91 I92 F118 E119 C122 V126 | E86-I124 HydrophobicContact CG-CD1 4.46Å; R91-I124 HydrophobicContact CB-CG2 3.97Å; R91-I124 HydrophobicContact CG-CG2 4.38Å; I92-I124 HydrophobicContact CD1-CD1 4.36Å; I92-I124 HydrophobicContact CG1-CD1 4.26Å; I92-I124 HydrophobicContact CG1-CG1 3.94Å; F118-I124 HydrophobicContact CD1-CD1 3.72Å; F118-I124 HydrophobicContact CE1-CD1 3.4Å; F118-I124 VanDerWaalsContact CE1-CD1 3.4Å; F118-I124 HydrophobicContact CZ-CD1 4.27Å; E119-I124 HydrophobicContact CB-CB 4.22Å; E119-I124 HydrophobicContact CB-CG2 4.42Å; E119-I124 HydrophobicContact CG-CB 4.24Å; E119-I124 HydrophobicContact CG-CD1 4.37Å; E119-I124 HydrophobicContact CG-CG2 4Å; E119-I124 PolarHBondContact O-N 2.81Å; C122-I124 VanDerWaalsContact C-N 3.29Å; C122-I124 HydrophobicContact CB-CD1 3.77Å; C122-I124 HydrophobicContact CB-CG1 3.75Å; I124-V126 PolarHBondContact O-N 3.34Å |
| 125 | G | 62.2 | Low | 72.9 | Confident | 65 Ų | 65 | 51.7 Ų | 51.7 | 67% | 0.67 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -3.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G123 S127 | G123-G125 PolarHBondContact O-N 3.21Å; G125-S127 PolarHBondContact O-N 2.9Å |
| 126 | V | 65.3 | Low | 73.3 | Confident | 65 Ų | 65 | 48.6 Ų | 48.6 | 39% | 0.394 | 30% | 0.303 | S | S | . | . | trans | -90.1 | 93.1 | 172.3 | -172.2 | 0 | 0 | 0 | 0 | 108.3 | Q97 G123 I124 V128 W170 | Q97-V126 PolarHBondContact NE2-O 2.99Å; G123-V126 PolarHBondContact O-N 3.34Å; G123-V126 VanDerWaalsContact O-N 3.07Å; I124-V126 PolarHBondContact O-N 3.34Å; V126-V128 HydrophobicContact CG1-CG2 4.29Å; V126-W170 HydrophobicContact CB-CG 4.46Å; V126-W170 HydrophobicContact CG1-CB 4.31Å; V126-W170 HydrophobicContact CG1-CG 4.28Å | ||
| 127 | S | 64.4 | Low | 73.9 | Confident | 94 Ų | 94 | 45.5 Ų | 45.5 | 66% | 0.657 | 28% | 0.277 | S | S | * | . | trans | -95.1 | 107.6 | 166.8 | 56.7 | 0 | 0 | 0 | 0 | 108.2 | G125 S129 | G125-S127 PolarHBondContact O-N 2.9Å; S127-S129 PolarHBondContact O-N 2.98Å | ||
| 128 | V | 67.9 | Low | 74.2 | Confident | 28 Ų | 28 | 44.2 Ų | 44.2 | 17% | 0.17 | 27% | 0.271 | C | S | . | . | trans | -75.3 | 112.4 | 173.6 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | V126 E132 I133 L168 W170 A171 | V126-V128 HydrophobicContact CG1-CG2 4.29Å; V128-E132 VanDerWaalsContact CA-OE2 3.3Å; V128-E132 WeakPolarHBondContact CA-OE2 3.43Å; V128-E132 HydrophobicContact CG1-CB 4.06Å; V128-I133 HydrophobicContact CG1-CD1 4.33Å; V128-I133 HydrophobicContact CG1-CG1 3.75Å; V128-L168 HydrophobicContact CG1-CB 4.38Å; V128-L168 HydrophobicContact CG1-CD1 3.9Å; V128-L168 HydrophobicContact CG1-CD2 3.93Å; V128-L168 HydrophobicContact CG1-CG 4.3Å; V128-L168 HydrophobicContact CG2-CD2 4.29Å; V128-W170 HydrophobicContact CG2-CB 3.96Å; V128-A171 HydrophobicContact CB-CB 4.27Å; V128-A171 HydrophobicContact CG1-CB 3.9Å; V128-A171 HydrophobicContact CG2-CB 4.46Å | ||
| 129 | S | 73.6 | Confident | 74.5 | Confident | 31 Ų | 31 | 49.6 Ų | 49.6 | 22% | 0.217 | 30% | 0.295 | C | S | . | . | trans | -72.6 | 154 | 176.1 | 74.6 | 0 | 0 | 0 | 0 | 109.8 | S127 E131 E132 I133 | S127-S129 PolarHBondContact O-N 2.98Å; S129-E131 PolarHBondContact O-N 2.82Å; S129-E131 PolarHBondContact OG-N 3.43Å; S129-E132 PolarHBondContact N-OE2 3.24Å; S129-E132 PolarHBondContact O-N 3.45Å; S129-E132 VanDerWaalsContact O-N 3.14Å; S129-E132 WeakPolarHBondContact OG-CG 3.29Å; S129-E132 PolarHBondContact OG-N 2.88Å; S129-E132 VanDerWaalsContact OG-N 3.09Å; S129-I133 PolarHBondContact O-N 2.8Å | ||
| 130 | P | 69.6 | Low | 75 | Confident | 31 Ų | 31 | 46.2 Ų | 46.2 | 20% | 0.201 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.8 | -23.9 | 171.7 | -29.4 | 41.9 | 0 | 0 | 0 | 113.3 | I133 E134 L175 Y403 | P130-I133 WeakPolarHBondContact O-CB 3.46Å; P130-I133 PolarHBondContact O-N 3.07Å; P130-E134 PolarHBondContact O-N 3.5Å; P130-L175 HydrophobicContact CG-CD1 4.48Å; P130-Y403 HydrophobicContact CB-CD1 3.59Å; P130-Y403 HydrophobicContact CB-CD2 3.37Å; P130-Y403 HydrophobicContact CB-CE1 3.59Å; P130-Y403 HydrophobicContact CB-CE2 3.35Å; P130-Y403 HydrophobicContact CB-CG 3.49Å; P130-Y403 VanDerWaalsContact CB-CG 3.49Å; P130-Y403 VanDerWaalsContact CB-CZ 3.46Å; P130-Y403 HydrophobicContact CG-CD1 3.83Å; P130-Y403 HydrophobicContact CG-CD2 4.25Å; P130-Y403 HydrophobicContact CG-CE1 3.38Å; P130-Y403 HydrophobicContact CG-CE2 3.84Å; P130-Y403 HydrophobicContact CG-CG 4.24Å |
| 131 | E | 61.5 | Low | 75.5 | Confident | 57 Ų | 57 | 43.1 Ų | 43.1 | 27% | 0.266 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.4 | -45.6 | 170.9 | -63.7 | 132.6 | -130.6 | 0 | 0 | 112.2 | S129 I133 E134 D135 N404 | S129-E131 PolarHBondContact O-N 2.82Å; S129-E131 PolarHBondContact OG-N 3.43Å; E131-I133 PolarHBondContact O-N 3.48Å; E131-E134 WeakPolarHBondContact O-CB 3.42Å; E131-E134 PolarHBondContact O-N 2.89Å; E131-D135 PolarHBondContact O-N 3.19Å; E131-N404 HydrophobicContact CG-CB 3.9Å; E131-N404 PolarHBondContact OE1-ND2 3.2Å; E131-N404 PolarHBondContact OE2-ND2 3.45Å |
| 132 | E | 72.4 | Confident | 75.7 | Confident | 85 Ų | 85 | 47.2 Ų | 47.2 | 40% | 0.397 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.4 | -35.9 | 175.5 | -73 | 176.4 | 167.8 | 0 | 0 | 110.8 | V128 S129 V136 L168 | V128-E132 VanDerWaalsContact CA-OE2 3.3Å; V128-E132 WeakPolarHBondContact CA-OE2 3.43Å; V128-E132 HydrophobicContact CG1-CB 4.06Å; S129-E132 PolarHBondContact N-OE2 3.24Å; S129-E132 PolarHBondContact O-N 3.45Å; S129-E132 VanDerWaalsContact O-N 3.14Å; S129-E132 WeakPolarHBondContact OG-CG 3.29Å; S129-E132 PolarHBondContact OG-N 2.88Å; S129-E132 VanDerWaalsContact OG-N 3.09Å; E132-V136 VanDerWaalsContact O-CB 3.29Å; E132-V136 WeakPolarHBondContact O-CB 3.38Å; E132-V136 VanDerWaalsContact O-CG2 3.22Å; E132-V136 WeakPolarHBondContact O-CG2 3.14Å; E132-V136 PolarHBondContact O-N 3.04Å; E132-L168 HydrophobicContact CB-CD2 4.43Å; E132-L168 WeakPolarHBondContact O-CD1 3.35Å |
| 133 | I | 78.4 | Confident | 76.2 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.7 | -48.6 | 172.4 | -64.8 | 173.8 | 0 | 0 | 0 | 110.6 | V128 S129 P130 E131 V137 L168 A171 L175 V176 E179 | V128-I133 HydrophobicContact CG1-CD1 4.33Å; V128-I133 HydrophobicContact CG1-CG1 3.75Å; S129-I133 PolarHBondContact O-N 2.8Å; P130-I133 WeakPolarHBondContact O-CB 3.46Å; P130-I133 PolarHBondContact O-N 3.07Å; E131-I133 PolarHBondContact O-N 3.48Å; I133-V137 HydrophobicContact CG2-CG2 4.2Å; I133-V137 VanDerWaalsContact O-CB 3.26Å; I133-V137 WeakPolarHBondContact O-CB 3.38Å; I133-V137 WeakPolarHBondContact O-CG2 3.33Å; I133-V137 PolarHBondContact O-N 2.88Å; I133-L168 HydrophobicContact CB-CD1 4.46Å; I133-L168 HydrophobicContact CG1-CD1 4.03Å; I133-A171 HydrophobicContact CD1-CB 3.94Å; I133-A171 HydrophobicContact CG1-CB 3.98Å; I133-L175 HydrophobicContact CD1-CB 3.96Å; I133-V176 HydrophobicContact CD1-CG2 3.97Å; I133-V176 HydrophobicContact CG1-CG2 4.03Å; I133-V176 HydrophobicContact CG2-CB 4.19Å; I133-V176 HydrophobicContact CG2-CG2 3.79Å; I133-E179 HydrophobicContact CG2-CB 4.12Å; I133-E179 HydrophobicContact CG2-CG 4.34Å |
| 134 | E | 76.2 | Confident | 76.8 | Confident | 58 Ų | 58 | 53.2 Ų | 53.2 | 27% | 0.271 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.6 | -49.3 | 179.9 | -169.9 | 173.7 | 178.3 | 0 | 0 | 111.5 | P130 E131 V137 E138 E179 Q183 | P130-E134 PolarHBondContact O-N 3.5Å; E131-E134 WeakPolarHBondContact O-CB 3.42Å; E131-E134 PolarHBondContact O-N 2.89Å; E134-V137 PolarHBondContact O-N 3.02Å; E134-E138 WeakPolarHBondContact O-CB 3.39Å; E134-E138 PolarHBondContact O-N 2.92Å; E134-E179 HydrophobicContact CB-CG 4.35Å; E134-E179 HydrophobicContact CG-CG 4.49Å; E134-Q183 PolarHBondContact O-NE2 2.69Å; E134-Q183 VanDerWaalsContact O-NE2 3.16Å |
| 135 | D | 78.3 | Confident | 77.6 | Confident | 102 Ų | 102 | 56.1 Ų | 56.1 | 55% | 0.545 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 179.4 | -77.7 | -16 | 0 | 0 | 0 | 112.2 | E131 E138 K139 | E131-D135 PolarHBondContact O-N 3.19Å; D135-E138 PolarHBondContact O-N 3.03Å; D135-K139 WeakPolarHBondContact O-CB 3.37Å; D135-K139 PolarHBondContact O-N 3.43Å |
| 136 | V | 84.2 | Confident | 78.6 | Confident | 19 Ų | 19 | 57 Ų | 57 | 12% | 0.115 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 178.5 | 168 | 0 | 0 | 0 | 0 | 110.4 | E132 K139 L140 A164 E167 L168 | E132-V136 VanDerWaalsContact O-CB 3.29Å; E132-V136 WeakPolarHBondContact O-CB 3.38Å; E132-V136 VanDerWaalsContact O-CG2 3.22Å; E132-V136 WeakPolarHBondContact O-CG2 3.14Å; E132-V136 PolarHBondContact O-N 3.04Å; V136-K139 PolarHBondContact O-N 3.07Å; V136-L140 HydrophobicContact CG1-CD1 3.78Å; V136-L140 HydrophobicContact CG1-CG 4.31Å; V136-L140 VanDerWaalsContact O-CB 3.32Å; V136-L140 WeakPolarHBondContact O-CB 3.25Å; V136-L140 WeakPolarHBondContact O-CG 3.42Å; V136-L140 PolarHBondContact O-N 3.13Å; V136-A164 HydrophobicContact CG1-CB 4.46Å; V136-E167 HydrophobicContact CG1-CB 3.95Å; V136-L168 HydrophobicContact CB-CD1 3.77Å; V136-L168 HydrophobicContact CB-CG 4.3Å; V136-L168 HydrophobicContact CG1-CD1 4.08Å; V136-L168 HydrophobicContact CG1-CG 4.29Å; V136-L168 HydrophobicContact CG2-CD1 3.76Å; V136-L168 HydrophobicContact CG2-CD2 4.24Å; V136-L168 HydrophobicContact CG2-CG 3.92Å |
| 137 | V | 86.9 | Confident | 79.5 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | 176.3 | 170 | 0 | 0 | 0 | 0 | 110.5 | I133 E134 L140 I141 V176 E179 Q183 | I133-V137 HydrophobicContact CG2-CG2 4.2Å; I133-V137 VanDerWaalsContact O-CB 3.26Å; I133-V137 WeakPolarHBondContact O-CB 3.38Å; I133-V137 WeakPolarHBondContact O-CG2 3.33Å; I133-V137 PolarHBondContact O-N 2.88Å; E134-V137 PolarHBondContact O-N 3.02Å; V137-L140 PolarHBondContact O-N 2.93Å; V137-I141 HydrophobicContact CG1-CD1 3.76Å; V137-I141 HydrophobicContact CG1-CG1 4.4Å; V137-I141 WeakPolarHBondContact O-CB 3.15Å; V137-I141 WeakPolarHBondContact O-CG1 3.49Å; V137-I141 PolarHBondContact O-N 3.13Å; V137-V176 HydrophobicContact CG2-CG1 4.29Å; V137-E179 HydrophobicContact CB-CG 4.5Å; V137-Q183 HydrophobicContact CG1-CB 4.43Å; V137-Q183 HydrophobicContact CG1-CG 4.36Å |
| 138 | E | 83.9 | Confident | 80.6 | Confident | 76 Ų | 76 | 53.4 Ų | 53.4 | 36% | 0.355 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 178.7 | -169.4 | -172 | 171.5 | 0 | 0 | 111 | E134 D135 L140 I141 K142 | E134-E138 WeakPolarHBondContact O-CB 3.39Å; E134-E138 PolarHBondContact O-N 2.92Å; D135-E138 PolarHBondContact O-N 3.03Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 3.02Å; E138-I141 PolarHBondContact O-N 2.96Å; E138-K142 HydrophobicContact CG-CD 4.47Å; E138-K142 WeakPolarHBondContact O-CB 3.45Å; E138-K142 WeakPolarHBondContact O-CG 3.47Å; E138-K142 PolarHBondContact O-N 2.92Å; E138-K142 WeakPolarHBondContact OE1-CE 3.36Å; E138-K142 IonicContact OE1-NZ 3.58Å; E138-K142 PolarHBondContact OE1-NZ 3.05Å |
| 139 | K | 87.4 | Confident | 81.4 | Confident | 117 Ų | 117 | 56.1 Ų | 56.1 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.8 | -42.7 | 175 | 177.9 | -171.8 | 165.1 | -150.9 | 0 | 111.8 | D135 V136 A143 E167 | D135-K139 WeakPolarHBondContact O-CB 3.37Å; D135-K139 PolarHBondContact O-N 3.43Å; V136-K139 PolarHBondContact O-N 3.07Å; K139-A143 WeakPolarHBondContact O-CB 3.41Å; K139-A143 PolarHBondContact O-N 2.94Å; K139-E167 IonicContact NZ-OE1 3.2Å; K139-E167 PolarHBondContact NZ-OE1 3.17Å; K139-E167 IonicContact NZ-OE2 3.67Å; K139-E167 PolarHBondContact NZ-OE2 2.98Å |
| 140 | L | 88 | Confident | 81.8 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.1 | -37.2 | 178.9 | -71.8 | 172.9 | 0 | 0 | 0 | 112.4 | V136 V137 E138 A143 K144 I160 M163 A164 | V136-L140 HydrophobicContact CG1-CD1 3.78Å; V136-L140 HydrophobicContact CG1-CG 4.31Å; V136-L140 VanDerWaalsContact O-CB 3.32Å; V136-L140 WeakPolarHBondContact O-CB 3.25Å; V136-L140 WeakPolarHBondContact O-CG 3.42Å; V136-L140 PolarHBondContact O-N 3.13Å; V137-L140 PolarHBondContact O-N 2.93Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 3.02Å; L140-A143 PolarHBondContact O-N 3.17Å; L140-K144 PolarHBondContact O-N 3.12Å; L140-I160 HydrophobicContact CB-CG2 4.17Å; L140-I160 HydrophobicContact CD1-CG2 4.39Å; L140-M163 HydrophobicContact CD1-CB 3.85Å; L140-M163 HydrophobicContact CD2-CB 3.6Å; L140-M163 HydrophobicContact CD2-CE 3.84Å; L140-M163 HydrophobicContact CD2-CG 4.44Å; L140-M163 HydrophobicContact CD2-SD 4.2Å; L140-M163 HydrophobicContact CG-CB 4.35Å; L140-A164 HydrophobicContact CD1-CB 3.7Å; L140-A164 VanDerWaalsContact CD1-N 3.31Å |
| 141 | I | 87.3 | Confident | 82.5 | Confident | 11 Ų | 11 | 65.3 Ų | 65.3 | 6% | 0.056 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.9 | -46.6 | 173.8 | -73 | 173.2 | 0 | 0 | 0 | 110 | V137 E138 A143 K144 E145 I148 I160 Q183 L184 L187 | V137-I141 HydrophobicContact CG1-CD1 3.76Å; V137-I141 HydrophobicContact CG1-CG1 4.4Å; V137-I141 WeakPolarHBondContact O-CB 3.15Å; V137-I141 WeakPolarHBondContact O-CG1 3.49Å; V137-I141 PolarHBondContact O-N 3.13Å; E138-I141 PolarHBondContact O-N 2.96Å; I141-A143 VanDerWaalsContact C-N 3.34Å; I141-A143 PolarHBondContact O-N 3.43Å; I141-K144 CarbonylContact O-C 3.51Å; I141-K144 VanDerWaalsContact O-C 3.27Å; I141-K144 PolarHBondContact O-N 3.27Å; I141-K144 VanDerWaalsContact O-N 3.08Å; I141-E145 VanDerWaalsContact O-CA 3.27Å; I141-E145 WeakPolarHBondContact O-CA 3.39Å; I141-E145 WeakPolarHBondContact O-CB 3.32Å; I141-E145 PolarHBondContact O-N 3.24Å; I141-I148 HydrophobicContact CB-CD1 4.32Å; I141-I148 HydrophobicContact CG1-CD1 4.35Å; I141-I148 HydrophobicContact CG2-CD1 3.99Å; I141-I160 HydrophobicContact CG1-CD1 3.99Å; I141-Q183 HydrophobicContact CD1-CB 3.42Å; I141-Q183 VanDerWaalsContact CD1-CB 3.42Å; I141-Q183 HydrophobicContact CD1-CG 4.49Å; I141-L184 HydrophobicContact CD1-CD2 4.36Å; I141-L184 HydrophobicContact CD1-CG 4.19Å; I141-L184 HydrophobicContact CG1-CD2 4.47Å; I141-L187 HydrophobicContact CG2-CD2 3.76Å |
| 142 | K | 83.8 | Confident | 83.7 | Confident | 124 Ų | 124 | 66 Ų | 66 | 54% | 0.539 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.8 | -44.4 | 174.2 | -77.7 | 178.6 | -176.5 | 163.1 | 0 | 112.3 | E138 K144 E145 | E138-K142 HydrophobicContact CG-CD 4.47Å; E138-K142 WeakPolarHBondContact O-CB 3.45Å; E138-K142 WeakPolarHBondContact O-CG 3.47Å; E138-K142 PolarHBondContact O-N 2.92Å; E138-K142 WeakPolarHBondContact OE1-CE 3.36Å; E138-K142 IonicContact OE1-NZ 3.58Å; E138-K142 PolarHBondContact OE1-NZ 3.05Å; K142-K144 PolarHBondContact O-N 2.87Å; K142-E145 WeakPolarHBondContact O-CB 3.38Å; K142-E145 PolarHBondContact O-N 3.44Å |
| 143 | A | 87 | Confident | 84.2 | Confident | 76 Ų | 76 | 65 Ų | 65 | 63% | 0.628 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.4 | -25.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K139 L140 I141 | K139-A143 WeakPolarHBondContact O-CB 3.41Å; K139-A143 PolarHBondContact O-N 2.94Å; L140-A143 PolarHBondContact O-N 3.17Å; I141-A143 VanDerWaalsContact C-N 3.34Å; I141-A143 PolarHBondContact O-N 3.43Å |
| 144 | K | 88 | Confident | 84.3 | Confident | 51 Ų | 51 | 67.1 Ų | 67.1 | 22% | 0.222 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 12 | 179.1 | -70.9 | -65.1 | -170.5 | 168.6 | 0 | 113.4 | L140 I141 K142 A146 E147 I148 F155 | L140-K144 PolarHBondContact O-N 3.12Å; I141-K144 CarbonylContact O-C 3.51Å; I141-K144 VanDerWaalsContact O-C 3.27Å; I141-K144 PolarHBondContact O-N 3.27Å; I141-K144 VanDerWaalsContact O-N 3.08Å; K142-K144 PolarHBondContact O-N 2.87Å; K144-A146 VanDerWaalsContact C-N 3.33Å; K144-A146 PolarHBondContact O-N 2.91Å; K144-E147 WeakPolarHBondContact CD-OE2 3.39Å; K144-E147 IonicContact NZ-OE1 2.71Å; K144-E147 PolarHBondContact NZ-OE1 3.49Å; K144-E147 IonicContact NZ-OE2 3.79Å; K144-E147 PolarHBondContact NZ-OE2 2.73Å; K144-E147 PolarHBondContact O-N 3.36Å; K144-I148 HydrophobicContact CB-CD1 3.85Å; K144-I148 HydrophobicContact CB-CG1 4.21Å; K144-I148 VanDerWaalsContact O-CG1 3.27Å; K144-I148 WeakPolarHBondContact O-CG1 3.37Å; K144-I148 PolarHBondContact O-N 2.8Å; K144-F155 HydrophobicContact CB-CE2 4.44Å; K144-F155 HydrophobicContact CB-CZ 4.15Å; K144-F155 HydrophobicContact CG-CZ 4.32Å |
| 145 | E | 82.8 | Confident | 84.8 | Confident | 79 Ų | 79 | 64.9 Ų | 64.9 | 37% | 0.369 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.2 | -42.5 | -168.8 | -173.9 | 176.8 | 171.1 | 0 | 0 | 112 | I141 K142 E147 I148 L149 L187 | I141-E145 VanDerWaalsContact O-CA 3.27Å; I141-E145 WeakPolarHBondContact O-CA 3.39Å; I141-E145 WeakPolarHBondContact O-CB 3.32Å; I141-E145 PolarHBondContact O-N 3.24Å; K142-E145 WeakPolarHBondContact O-CB 3.38Å; K142-E145 PolarHBondContact O-N 3.44Å; E145-E147 PolarHBondContact O-N 2.77Å; E145-I148 PolarHBondContact O-N 2.79Å; E145-L149 HydrophobicContact CG-CD1 3.94Å; E145-L149 HydrophobicContact CG-CG 4.27Å; E145-L149 WeakPolarHBondContact O-CB 3.25Å; E145-L149 WeakPolarHBondContact O-CG 3.43Å; E145-L149 PolarHBondContact O-N 3.48Å; E145-L187 HydrophobicContact CG-CD2 4.32Å |
| 146 | A | 83 | Confident | 85.1 | Confident | 83 Ų | 83 | 63 Ų | 63 | 69% | 0.686 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.7 | -42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K144 Q150 | K144-A146 VanDerWaalsContact C-N 3.33Å; K144-A146 PolarHBondContact O-N 2.91Å; A146-Q150 WeakPolarHBondContact O-CB 3.22Å; A146-Q150 PolarHBondContact O-N 3.18Å; A146-Q150 VanDerWaalsContact O-N 3.15Å |
| 147 | E | 85.5 | Confident | 85.2 | Confident | 84 Ų | 84 | 64.3 Ų | 64.3 | 39% | 0.393 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.4 | -39.5 | 176.3 | -68.6 | 172.4 | -142.1 | 0 | 0 | 111.2 | K144 E145 Q150 M151 F155 | K144-E147 WeakPolarHBondContact CD-OE2 3.39Å; K144-E147 IonicContact NZ-OE1 2.71Å; K144-E147 PolarHBondContact NZ-OE1 3.49Å; K144-E147 IonicContact NZ-OE2 3.79Å; K144-E147 PolarHBondContact NZ-OE2 2.73Å; K144-E147 PolarHBondContact O-N 3.36Å; E145-E147 PolarHBondContact O-N 2.77Å; E147-Q150 PolarHBondContact O-N 2.83Å; E147-M151 WeakPolarHBondContact O-CB 3.19Å; E147-M151 WeakPolarHBondContact O-CG 3.46Å; E147-M151 PolarHBondContact O-N 3.27Å; E147-F155 HydrophobicContact CB-CD2 4.2Å; E147-F155 HydrophobicContact CB-CE2 3.93Å |
| 148 | I | 87.2 | Confident | 85 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67 | -43.6 | 179 | -67 | 163.6 | 0 | 0 | 0 | 110.8 | I141 K144 E145 Q150 R152 F155 I160 L184 L187 L188 | I141-I148 HydrophobicContact CB-CD1 4.32Å; I141-I148 HydrophobicContact CG1-CD1 4.35Å; I141-I148 HydrophobicContact CG2-CD1 3.99Å; K144-I148 HydrophobicContact CB-CD1 3.85Å; K144-I148 HydrophobicContact CB-CG1 4.21Å; K144-I148 VanDerWaalsContact O-CG1 3.27Å; K144-I148 WeakPolarHBondContact O-CG1 3.37Å; K144-I148 PolarHBondContact O-N 2.8Å; E145-I148 PolarHBondContact O-N 2.79Å; I148-Q150 VanDerWaalsContact C-N 3.33Å; I148-Q150 PolarHBondContact O-N 3.07Å; I148-R152 WeakPolarHBondContact O-CA 3.28Å; I148-R152 PolarHBondContact O-N 3.46Å; I148-F155 HydrophobicContact CG1-CD1 3.92Å; I148-F155 HydrophobicContact CG1-CD2 3.88Å; I148-F155 HydrophobicContact CG1-CE1 4.08Å; I148-F155 HydrophobicContact CG1-CE2 4.03Å; I148-F155 HydrophobicContact CG1-CG 3.82Å; I148-F155 HydrophobicContact CG1-CZ 4.13Å; I148-I160 HydrophobicContact CD1-CD1 3.96Å; I148-L184 HydrophobicContact CD1-CD2 4.08Å; I148-L184 HydrophobicContact CG1-CD2 4.39Å; I148-L184 HydrophobicContact CG2-CD2 3.72Å; I148-L187 HydrophobicContact CG2-CD2 3.86Å; I148-L188 HydrophobicContact CG2-CD1 4.23Å; I148-L188 HydrophobicContact CG2-CD2 4Å; I148-L188 HydrophobicContact CG2-CG 4.24Å |
| 149 | L | 84 | Confident | 85.2 | Confident | 85 Ų | 85 | 66.4 Ų | 66.4 | 45% | 0.445 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.4 | -35.2 | 177.4 | -71.4 | 174.4 | 0 | 0 | 0 | 111.8 | E145 R152 L187 L188 | E145-L149 HydrophobicContact CG-CD1 3.94Å; E145-L149 HydrophobicContact CG-CG 4.27Å; E145-L149 WeakPolarHBondContact O-CB 3.25Å; E145-L149 WeakPolarHBondContact O-CG 3.43Å; E145-L149 PolarHBondContact O-N 3.48Å; L149-R152 WeakPolarHBondContact O-CG 3.35Å; L149-L187 HydrophobicContact CD2-CD1 4.39Å; L149-L187 HydrophobicContact CD2-CG 4.29Å; L149-L188 HydrophobicContact CD2-CD2 4.39Å |
| 150 | Q | 83.1 | Confident | 85.2 | Confident | 168 Ų | 168 | 60.9 Ų | 60.9 | 79% | 0.785 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -72.4 | -44.9 | 177.9 | -170.2 | -178.3 | 13.8 | 0 | 0 | 112.6 | A146 E147 I148 | A146-Q150 WeakPolarHBondContact O-CB 3.22Å; A146-Q150 PolarHBondContact O-N 3.18Å; A146-Q150 VanDerWaalsContact O-N 3.15Å; E147-Q150 PolarHBondContact O-N 2.83Å; I148-Q150 VanDerWaalsContact C-N 3.33Å; I148-Q150 PolarHBondContact O-N 3.07Å |
| 151 | M | 84.1 | Confident | 85.2 | Confident | 86 Ų | 86 | 61.7 Ų | 61.7 | 42% | 0.424 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -88.7 | -15.8 | -178.4 | -64 | -174.9 | 71 | 0 | 0 | 113.5 | E147 Y153 S154 F155 | E147-M151 WeakPolarHBondContact O-CB 3.19Å; E147-M151 WeakPolarHBondContact O-CG 3.46Å; E147-M151 PolarHBondContact O-N 3.27Å; M151-Y153 PolarHBondContact O-N 3.15Å; M151-S154 WeakPolarHBondContact CE-O 3.45Å; M151-S154 VanDerWaalsContact O-CB 3.25Å; M151-S154 WeakPolarHBondContact O-CB 3.35Å; M151-S154 PolarHBondContact O-N 3.41Å; M151-F155 HydrophobicContact CB-CB 4.07Å; M151-F155 HydrophobicContact SD-CD2 4.22Å |
| 152 | R | 85.7 | Confident | 85.1 | Confident | 72 Ų | 72 | 64 Ų | 64 | 27% | 0.272 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | 46.1 | -127.4 | -171.8 | -61.3 | -177.1 | 53.3 | 82.1 | 3.6 | 111.3 | I148 L149 S154 F155 L188 E195 | I148-R152 WeakPolarHBondContact O-CA 3.28Å; I148-R152 PolarHBondContact O-N 3.46Å; L149-R152 WeakPolarHBondContact O-CG 3.35Å; R152-S154 PolarHBondContact O-N 2.88Å; R152-S154 VanDerWaalsContact O-N 3.13Å; R152-F155 VanDerWaalsContact O-CB 3.32Å; R152-F155 WeakPolarHBondContact O-CB 3.34Å; R152-F155 PolarHBondContact O-N 2.8Å; R152-F155 VanDerWaalsContact O-N 3.12Å; R152-L188 VanDerWaalsContact C-CD1 3.45Å; R152-L188 HydrophobicContact CB-CD1 4.41Å; R152-L188 HydrophobicContact CB-CD2 4.12Å; R152-L188 HydrophobicContact CG-CD2 4.11Å; R152-L188 PolarHBondContact NH1-O 2.88Å; R152-L188 PolarHBondContact NH2-O 2.93Å; R152-E195 WeakPolarHBondContact CB-OE1 3.11Å; R152-E195 VanDerWaalsContact CD-OE1 3.28Å; R152-E195 WeakPolarHBondContact CD-OE1 3.24Å; R152-E195 IonicContact CZ-OE1 2.83Å; R152-E195 IonicContact NE-OE1 3.68Å; R152-E195 PolarHBondContact NE-OE1 2.79Å; R152-E195 IonicContact NE-OE2 3.69Å; R152-E195 IonicContact NH2-OE2 2.64Å |
| 153 | Y | 83.1 | Confident | 85.2 | Confident | 64 Ų | 64 | 61.7 Ų | 61.7 | 25% | 0.251 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -71.6 | -2.8 | -179.2 | -76.5 | -74.2 | 0 | 0 | 0 | 115 | M151 F155 L188 G189 K191 | M151-Y153 PolarHBondContact O-N 3.15Å; Y153-F155 VanDerWaalsContact C-N 3.32Å; Y153-L188 HydrophobicContact CD1-CD1 4.1Å; Y153-L188 HydrophobicContact CD2-CB 4.38Å; Y153-L188 HydrophobicContact CD2-CD1 4.12Å; Y153-L188 HydrophobicContact CE1-CD1 4.2Å; Y153-L188 HydrophobicContact CE2-CB 3.83Å; Y153-L188 HydrophobicContact CE2-CD1 4.23Å; Y153-L188 HydrophobicContact CG-CD1 4.09Å; Y153-G189 VanDerWaalsContact CE2-O 3.24Å; Y153-G189 WeakPolarHBondContact CE2-O 3.44Å; Y153-G189 PolarHBondContact OH-O 3.47Å; Y153-K191 HydrophobicContact CD1-CD 4.47Å; Y153-K191 VanDerWaalsContact CD1-CE 3.48Å; Y153-K191 HydrophobicContact CD1-CG 4.16Å; Y153-K191 HydrophobicContact CD2-CB 4.33Å; Y153-K191 HydrophobicContact CD2-CD 4.41Å; Y153-K191 HydrophobicContact CD2-CG 3.41Å; Y153-K191 VanDerWaalsContact CD2-CG 3.41Å; Y153-K191 HydrophobicContact CE1-CG 4.21Å; Y153-K191 HydrophobicContact CE2-CB 4.29Å; Y153-K191 HydrophobicContact CE2-CG 3.45Å; Y153-K191 VanDerWaalsContact CE2-CG 3.45Å; Y153-K191 HydrophobicContact CG-CD 4.27Å; Y153-K191 HydrophobicContact CG-CG 3.74Å |
| 154 | S | 81.8 | Confident | 85.2 | Confident | 50 Ų | 50 | 58.1 Ų | 58.1 | 35% | 0.35 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -87.3 | -6.5 | 172.2 | -52.2 | 0 | 0 | 0 | 0 | 112.6 | M151 R152 I199 | M151-S154 WeakPolarHBondContact CE-O 3.45Å; M151-S154 VanDerWaalsContact O-CB 3.25Å; M151-S154 WeakPolarHBondContact O-CB 3.35Å; M151-S154 PolarHBondContact O-N 3.41Å; R152-S154 PolarHBondContact O-N 2.88Å; R152-S154 VanDerWaalsContact O-N 3.13Å; S154-I199 WeakPolarHBondContact OG-CD1 3.32Å |
| 155 | F | 85.3 | Confident | 85 | Confident | 10 Ų | 10 | 63.4 Ų | 63.4 | 4% | 0.044 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -61.7 | 129.9 | 172.9 | -176.7 | -91.4 | 0 | 0 | 0 | 110 | K144 E147 I148 M151 R152 Y153 V157 I160 | K144-F155 HydrophobicContact CB-CE2 4.44Å; K144-F155 HydrophobicContact CB-CZ 4.15Å; K144-F155 HydrophobicContact CG-CZ 4.32Å; E147-F155 HydrophobicContact CB-CD2 4.2Å; E147-F155 HydrophobicContact CB-CE2 3.93Å; I148-F155 HydrophobicContact CG1-CD1 3.92Å; I148-F155 HydrophobicContact CG1-CD2 3.88Å; I148-F155 HydrophobicContact CG1-CE1 4.08Å; I148-F155 HydrophobicContact CG1-CE2 4.03Å; I148-F155 HydrophobicContact CG1-CG 3.82Å; I148-F155 HydrophobicContact CG1-CZ 4.13Å; M151-F155 HydrophobicContact CB-CB 4.07Å; M151-F155 HydrophobicContact SD-CD2 4.22Å; R152-F155 VanDerWaalsContact O-CB 3.32Å; R152-F155 WeakPolarHBondContact O-CB 3.34Å; R152-F155 PolarHBondContact O-N 2.8Å; R152-F155 VanDerWaalsContact O-N 3.12Å; Y153-F155 VanDerWaalsContact C-N 3.32Å; F155-V157 PolarHBondContact O-N 3.21Å; F155-I160 HydrophobicContact CD1-CD1 4.15Å; F155-I160 HydrophobicContact CE1-CD1 3.57Å; F155-I160 HydrophobicContact CE1-CG1 3.79Å; F155-I160 HydrophobicContact CZ-CD1 4.45Å; F155-I160 HydrophobicContact CZ-CG1 4.39Å |
| 156 | P | 85.3 | Confident | 85.1 | Confident | 64 Ų | 64 | 68.4 Ų | 68.4 | 42% | 0.416 | 36% | 0.363 | S | S | . | . | trans | -69.9 | 97.5 | 179.6 | 27.5 | -33.3 | 0 | 0 | 0 | 110.6 | A158 T159 | P156-A158 PolarHBondContact O-N 3.3Å; P156-T159 WeakPolarHBondContact O-CB 3.32Å; P156-T159 PolarHBondContact O-N 3.13Å; P156-T159 PolarHBondContact O-OG1 2.95Å | ||
| 157 | V | 85.6 | Confident | 85.2 | Confident | 46 Ų | 46 | 68.5 Ų | 68.5 | 28% | 0.279 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -52.7 | -29.8 | 176.6 | -175.6 | 0 | 0 | 0 | 0 | 112 | F155 T159 I160 L161 T180 L184 | F155-V157 PolarHBondContact O-N 3.21Å; V157-T159 PolarHBondContact O-N 3.16Å; V157-T159 VanDerWaalsContact O-N 3.13Å; V157-I160 PolarHBondContact O-N 3.12Å; V157-L161 HydrophobicContact CG1-CD1 4.31Å; V157-L161 HydrophobicContact CG1-CG 4.24Å; V157-L161 WeakPolarHBondContact O-CG 3.49Å; V157-L161 PolarHBondContact O-N 3.02Å; V157-T180 HydrophobicContact CG1-CG2 3.71Å; V157-L184 HydrophobicContact CB-CD1 4.37Å; V157-L184 HydrophobicContact CG1-CD1 3.99Å; V157-L184 HydrophobicContact CG2-CD1 3.62Å |
| 158 | A | 84.2 | Confident | 85.2 | Confident | 67 Ų | 67 | 65.5 Ų | 65.5 | 55% | 0.554 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -54.3 | -29.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | P156 A162 | P156-A158 PolarHBondContact O-N 3.3Å; A158-A162 VanDerWaalsContact O-CB 3.28Å; A158-A162 WeakPolarHBondContact O-CB 3.27Å; A158-A162 PolarHBondContact O-N 3.31Å |
| 159 | T | 87 | Confident | 84.8 | Confident | 54 Ų | 54 | 69 Ų | 69 | 33% | 0.331 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.6 | -46.8 | 175.6 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | P156 V157 A162 M163 | P156-T159 WeakPolarHBondContact O-CB 3.32Å; P156-T159 PolarHBondContact O-N 3.13Å; P156-T159 PolarHBondContact O-OG1 2.95Å; V157-T159 PolarHBondContact O-N 3.16Å; V157-T159 VanDerWaalsContact O-N 3.13Å; T159-A162 PolarHBondContact O-N 3.27Å; T159-M163 HydrophobicContact CG2-SD 4.37Å; T159-M163 WeakPolarHBondContact O-CG 3.06Å; T159-M163 PolarHBondContact O-N 3.24Å |
| 160 | I | 87.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 176 | -67 | 159.2 | 0 | 0 | 0 | 109.7 | L140 I141 I148 F155 V157 A162 M163 A164 T180 L184 | L140-I160 HydrophobicContact CB-CG2 4.17Å; L140-I160 HydrophobicContact CD1-CG2 4.39Å; I141-I160 HydrophobicContact CG1-CD1 3.99Å; I148-I160 HydrophobicContact CD1-CD1 3.96Å; F155-I160 HydrophobicContact CD1-CD1 4.15Å; F155-I160 HydrophobicContact CE1-CD1 3.57Å; F155-I160 HydrophobicContact CE1-CG1 3.79Å; F155-I160 HydrophobicContact CZ-CD1 4.45Å; F155-I160 HydrophobicContact CZ-CG1 4.39Å; V157-I160 PolarHBondContact O-N 3.12Å; I160-A162 VanDerWaalsContact C-N 3.3Å; I160-A162 PolarHBondContact O-N 2.9Å; I160-M163 PolarHBondContact O-N 3.36Å; I160-A164 VanDerWaalsContact O-CB 3.31Å; I160-A164 WeakPolarHBondContact O-CB 3.21Å; I160-A164 PolarHBondContact O-N 3.46Å; I160-T180 HydrophobicContact CB-CG2 4.1Å; I160-T180 HydrophobicContact CD1-CG2 4.3Å; I160-T180 HydrophobicContact CG2-CG2 3.65Å; I160-L184 HydrophobicContact CD1-CD1 4.34Å; I160-L184 HydrophobicContact CD1-CD2 4.21Å |
| 161 | L | 87.5 | Confident | 84.6 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 12% | 0.115 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.2 | -36.5 | 178.4 | -61.6 | 178 | 0 | 0 | 0 | 112.7 | V157 R165 V176 K177 T180 | V157-L161 HydrophobicContact CG1-CD1 4.31Å; V157-L161 HydrophobicContact CG1-CG 4.24Å; V157-L161 WeakPolarHBondContact O-CG 3.49Å; V157-L161 PolarHBondContact O-N 3.02Å; L161-R165 WeakPolarHBondContact O-CB 3.41Å; L161-R165 VanDerWaalsContact O-CG 3.25Å; L161-R165 WeakPolarHBondContact O-CG 3.45Å; L161-R165 PolarHBondContact O-N 3.19Å; L161-V176 HydrophobicContact CD2-CG1 4.01Å; L161-K177 HydrophobicContact CD1-CG 4.37Å; L161-K177 HydrophobicContact CD2-CB 4.22Å; L161-T180 HydrophobicContact CD2-CG2 4.36Å |
| 162 | A | 85.6 | Confident | 84.2 | Confident | 60 Ų | 60 | 60.1 Ų | 60.1 | 50% | 0.496 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.7 | -39 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A158 T159 I160 K166 | A158-A162 VanDerWaalsContact O-CB 3.28Å; A158-A162 WeakPolarHBondContact O-CB 3.27Å; A158-A162 PolarHBondContact O-N 3.31Å; T159-A162 PolarHBondContact O-N 3.27Å; I160-A162 VanDerWaalsContact C-N 3.3Å; I160-A162 PolarHBondContact O-N 2.9Å; A162-K166 PolarHBondContact O-N 3.43Å |
| 163 | M | 86.5 | Confident | 83.9 | Confident | 74 Ų | 74 | 58.5 Ų | 58.5 | 37% | 0.365 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.6 | -42.4 | 174.9 | -66.1 | 178.8 | 81.4 | 0 | 0 | 111.4 | L140 T159 I160 R165 K166 E167 | L140-M163 HydrophobicContact CD1-CB 3.85Å; L140-M163 HydrophobicContact CD2-CB 3.6Å; L140-M163 HydrophobicContact CD2-CE 3.84Å; L140-M163 HydrophobicContact CD2-CG 4.44Å; L140-M163 HydrophobicContact CD2-SD 4.2Å; L140-M163 HydrophobicContact CG-CB 4.35Å; T159-M163 HydrophobicContact CG2-SD 4.37Å; T159-M163 WeakPolarHBondContact O-CG 3.06Å; T159-M163 PolarHBondContact O-N 3.24Å; I160-M163 PolarHBondContact O-N 3.36Å; M163-R165 PolarHBondContact O-N 3.1Å; M163-K166 WeakPolarHBondContact O-CA 3.28Å; M163-K166 WeakPolarHBondContact O-CB 3.2Å; M163-K166 PolarHBondContact O-N 3.46Å; M163-E167 PolarHBondContact O-N 3.03Å |
| 164 | A | 86 | Confident | 83.5 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.008 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V136 L140 I160 K166 E167 L168 V176 | V136-A164 HydrophobicContact CG1-CB 4.46Å; L140-A164 HydrophobicContact CD1-CB 3.7Å; L140-A164 VanDerWaalsContact CD1-N 3.31Å; I160-A164 VanDerWaalsContact O-CB 3.31Å; I160-A164 WeakPolarHBondContact O-CB 3.21Å; I160-A164 PolarHBondContact O-N 3.46Å; A164-K166 PolarHBondContact O-N 2.96Å; A164-E167 PolarHBondContact O-N 2.83Å; A164-L168 WeakPolarHBondContact O-CA 3.47Å; A164-L168 PolarHBondContact O-N 3.39Å; A164-V176 HydrophobicContact CB-CG1 3.63Å |
| 165 | R | 84.8 | Confident | 83.4 | Confident | 163 Ų | 163 | 59.3 Ų | 59.3 | 62% | 0.615 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.5 | -26.1 | 173 | -74.9 | -178.9 | -139.2 | -159 | 2.3 | 113.6 | L161 M163 L168 P169 | L161-R165 WeakPolarHBondContact O-CB 3.41Å; L161-R165 VanDerWaalsContact O-CG 3.25Å; L161-R165 WeakPolarHBondContact O-CG 3.45Å; L161-R165 PolarHBondContact O-N 3.19Å; M163-R165 PolarHBondContact O-N 3.1Å; R165-L168 CarbonylContact O-C 3.52Å; R165-P169 VanDerWaalsContact O-CA 3.29Å; R165-P169 WeakPolarHBondContact O-CA 3.38Å |
| 166 | K | 84.8 | Confident | 83.3 | Confident | 183 Ų | 183 | 59 Ų | 59 | 80% | 0.796 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -78.4 | -37.4 | 177.2 | -169.7 | -178.5 | 176.9 | -174.6 | 0 | 111.6 | A162 M163 A164 | A162-K166 PolarHBondContact O-N 3.43Å; M163-K166 WeakPolarHBondContact O-CA 3.28Å; M163-K166 WeakPolarHBondContact O-CB 3.2Å; M163-K166 PolarHBondContact O-N 3.46Å; A164-K166 PolarHBondContact O-N 2.96Å |
| 167 | E | 84.8 | Confident | 83.4 | Confident | 85 Ų | 85 | 60.4 Ų | 60.4 | 40% | 0.397 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -78.2 | -39.2 | 175.1 | -68.1 | -158.9 | -177.6 | 0 | 0 | 112.1 | V136 K139 M163 A164 P169 | V136-E167 HydrophobicContact CG1-CB 3.95Å; K139-E167 IonicContact NZ-OE1 3.2Å; K139-E167 PolarHBondContact NZ-OE1 3.17Å; K139-E167 IonicContact NZ-OE2 3.67Å; K139-E167 PolarHBondContact NZ-OE2 2.98Å; M163-E167 PolarHBondContact O-N 3.03Å; A164-E167 PolarHBondContact O-N 2.83Å; E167-P169 WeakPolarHBondContact O-CD 3.4Å |
| 168 | L | 84.4 | Confident | 83.2 | Confident | 21 Ų | 21 | 65.2 Ų | 65.2 | 11% | 0.11 | 35% | 0.352 | C | S | . | . | trans | -121 | 76.4 | 179.5 | -59.4 | 172.9 | 0 | 0 | 0 | 111.2 | V128 E132 I133 V136 A164 R165 W170 A171 | V128-L168 HydrophobicContact CG1-CB 4.38Å; V128-L168 HydrophobicContact CG1-CD1 3.9Å; V128-L168 HydrophobicContact CG1-CD2 3.93Å; V128-L168 HydrophobicContact CG1-CG 4.3Å; V128-L168 HydrophobicContact CG2-CD2 4.29Å; E132-L168 HydrophobicContact CB-CD2 4.43Å; E132-L168 WeakPolarHBondContact O-CD1 3.35Å; I133-L168 HydrophobicContact CB-CD1 4.46Å; I133-L168 HydrophobicContact CG1-CD1 4.03Å; V136-L168 HydrophobicContact CB-CD1 3.77Å; V136-L168 HydrophobicContact CB-CG 4.3Å; V136-L168 HydrophobicContact CG1-CD1 4.08Å; V136-L168 HydrophobicContact CG1-CG 4.29Å; V136-L168 HydrophobicContact CG2-CD1 3.76Å; V136-L168 HydrophobicContact CG2-CD2 4.24Å; V136-L168 HydrophobicContact CG2-CG 3.92Å; A164-L168 WeakPolarHBondContact O-CA 3.47Å; A164-L168 PolarHBondContact O-N 3.39Å; R165-L168 CarbonylContact O-C 3.52Å; L168-W170 PolarHBondContact O-N 2.9Å; L168-A171 HydrophobicContact CB-CB 3.81Å; L168-A171 HydrophobicContact CD1-CB 4.47Å; L168-A171 PolarHBondContact O-N 2.9Å | ||
| 169 | P | 80 | Confident | 83.2 | Confident | 74 Ų | 74 | 63.8 Ų | 63.8 | 48% | 0.481 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -22.8 | -179.4 | 24.9 | -33.4 | 0 | 0 | 0 | 113.2 | M96 R165 E167 | M96-P169 WeakPolarHBondContact CE-O 3.31Å; R165-P169 VanDerWaalsContact O-CA 3.29Å; R165-P169 WeakPolarHBondContact O-CA 3.38Å; E167-P169 WeakPolarHBondContact O-CD 3.4Å |
| 170 | W | 80 | Confident | 83.2 | Confident | 50 Ų | 50 | 61.2 Ų | 61.2 | 19% | 0.189 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 3.2 | -176.7 | -54.3 | 109.3 | 0 | 0 | 0 | 114.5 | M96 Q97 A100 A121 C122 V126 V128 L168 | M96-W170 VanDerWaalsContact CE-CA 3.4Å; M96-W170 HydrophobicContact CE-CB 4.42Å; M96-W170 HydrophobicContact CE-CE3 4.24Å; M96-W170 VanDerWaalsContact CE-O 3.29Å; M96-W170 WeakPolarHBondContact CE-O 3.49Å; M96-W170 HydrophobicContact CG-CE3 4.22Å; M96-W170 HydrophobicContact CG-CZ3 4.24Å; Q97-W170 HydrophobicContact CG-CE3 3.97Å; Q97-W170 HydrophobicContact CG-CZ3 4.28Å; A100-W170 HydrophobicContact CB-CH2 3.44Å; A100-W170 VanDerWaalsContact CB-CH2 3.44Å; A100-W170 HydrophobicContact CB-CZ3 3.7Å; A121-W170 VanDerWaalsContact O-CH2 3.27Å; A121-W170 WeakPolarHBondContact O-CH2 3.41Å; A121-W170 WeakPolarHBondContact O-CZ2 3.45Å; C122-W170 WeakPolarHBondContact O-CH2 3.18Å; V126-W170 HydrophobicContact CB-CG 4.46Å; V126-W170 HydrophobicContact CG1-CB 4.31Å; V126-W170 HydrophobicContact CG1-CG 4.28Å; V128-W170 HydrophobicContact CG2-CB 3.96Å; L168-W170 PolarHBondContact O-N 2.9Å |
| 171 | A | 81.5 | Confident | 83.2 | Confident | 10 Ų | 10 | 65.8 Ų | 65.8 | 8% | 0.083 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -70.2 | 150.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V128 I133 L168 G173 V176 | V128-A171 HydrophobicContact CB-CB 4.27Å; V128-A171 HydrophobicContact CG1-CB 3.9Å; V128-A171 HydrophobicContact CG2-CB 4.46Å; I133-A171 HydrophobicContact CD1-CB 3.94Å; I133-A171 HydrophobicContact CG1-CB 3.98Å; L168-A171 HydrophobicContact CB-CB 3.81Å; L168-A171 HydrophobicContact CD1-CB 4.47Å; L168-A171 PolarHBondContact O-N 2.9Å; A171-G173 PolarHBondContact O-N 2.83Å; A171-G173 VanDerWaalsContact O-N 3.14Å; A171-V176 HydrophobicContact CB-CG2 3.54Å |
| 172 | D | 76.6 | Confident | 82.9 | Confident | 92 Ų | 92 | 69.4 Ų | 69.4 | 49% | 0.492 | 36% | 0.358 | S | S | . | . | trans | -66.4 | 113 | 167.1 | -174 | -24.2 | 0 | 0 | 0 | 109.7 | A174 L175 V176 | D172-A174 PolarHBondContact O-N 3.49Å; D172-A174 VanDerWaalsContact O-N 3.15Å; D172-A174 VanDerWaalsContact OD1-CB 3.31Å; D172-A174 WeakPolarHBondContact OD1-CB 3.47Å; D172-A174 PolarHBondContact OD1-N 2.97Å; D172-L175 HydrophobicContact CB-CB 4.12Å; D172-L175 HydrophobicContact CB-CD1 3.96Å; D172-L175 HydrophobicContact CB-CG 3.94Å; D172-L175 PolarHBondContact O-N 3.3Å; D172-V176 WeakPolarHBondContact O-CG2 3.37Å; D172-V176 PolarHBondContact O-N 2.94Å | ||
| 173 | G | 78.8 | Confident | 82.9 | Confident | 39 Ų | 39 | 67.8 Ų | 67.8 | 40% | 0.402 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.4 | -25.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A171 K177 | A171-G173 PolarHBondContact O-N 2.83Å; A171-G173 VanDerWaalsContact O-N 3.14Å; G173-K177 WeakPolarHBondContact O-CB 3.47Å; G173-K177 PolarHBondContact O-N 2.58Å; G173-K177 VanDerWaalsContact O-N 3.13Å |
| 174 | A | 76.1 | Confident | 82.9 | Confident | 67 Ų | 67 | 64.8 Ų | 64.8 | 55% | 0.554 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -73.5 | -40.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D172 K177 K178 | D172-A174 PolarHBondContact O-N 3.49Å; D172-A174 VanDerWaalsContact O-N 3.15Å; D172-A174 VanDerWaalsContact OD1-CB 3.31Å; D172-A174 WeakPolarHBondContact OD1-CB 3.47Å; D172-A174 PolarHBondContact OD1-N 2.97Å; A174-K177 PolarHBondContact O-N 3.46Å; A174-K178 WeakPolarHBondContact O-CB 3.24Å; A174-K178 PolarHBondContact O-N 3.36Å |
| 175 | L | 78.6 | Confident | 82.7 | Confident | 63 Ų | 63 | 67.8 Ų | 67.8 | 33% | 0.33 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.8 | -46.6 | 175.4 | -66.6 | -178.8 | 0 | 0 | 0 | 111.1 | P130 I133 D172 K177 K178 E179 | P130-L175 HydrophobicContact CG-CD1 4.48Å; I133-L175 HydrophobicContact CD1-CB 3.96Å; D172-L175 HydrophobicContact CB-CB 4.12Å; D172-L175 HydrophobicContact CB-CD1 3.96Å; D172-L175 HydrophobicContact CB-CG 3.94Å; D172-L175 PolarHBondContact O-N 3.3Å; L175-K177 VanDerWaalsContact C-N 3.27Å; L175-K177 PolarHBondContact O-N 2.9Å; L175-K178 PolarHBondContact O-N 3.3Å; L175-E179 WeakPolarHBondContact O-CB 3.23Å; L175-E179 PolarHBondContact O-N 3.17Å |
| 176 | V | 84.4 | Confident | 82.5 | Confident | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.024 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56 | -43.4 | 175.6 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | I133 V137 L161 A164 A171 D172 T180 | I133-V176 HydrophobicContact CD1-CG2 3.97Å; I133-V176 HydrophobicContact CG1-CG2 4.03Å; I133-V176 HydrophobicContact CG2-CB 4.19Å; I133-V176 HydrophobicContact CG2-CG2 3.79Å; V137-V176 HydrophobicContact CG2-CG1 4.29Å; L161-V176 HydrophobicContact CD2-CG1 4.01Å; A164-V176 HydrophobicContact CB-CG1 3.63Å; A171-V176 HydrophobicContact CB-CG2 3.54Å; D172-V176 WeakPolarHBondContact O-CG2 3.37Å; D172-V176 PolarHBondContact O-N 2.94Å; V176-T180 WeakPolarHBondContact O-CB 3.21Å; V176-T180 PolarHBondContact O-N 2.89Å; V176-T180 PolarHBondContact O-OG1 3.32Å |
| 177 | K | 85.4 | Confident | 82.3 | Confident | 93 Ų | 93 | 59.5 Ų | 59.5 | 40% | 0.404 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64 | -49.5 | 177.8 | -177.9 | -179.7 | 172.2 | -174.2 | 0 | 112 | L161 G173 A174 L175 E179 T180 E181 | L161-K177 HydrophobicContact CD1-CG 4.37Å; L161-K177 HydrophobicContact CD2-CB 4.22Å; G173-K177 WeakPolarHBondContact O-CB 3.47Å; G173-K177 PolarHBondContact O-N 2.58Å; G173-K177 VanDerWaalsContact O-N 3.13Å; A174-K177 PolarHBondContact O-N 3.46Å; L175-K177 VanDerWaalsContact C-N 3.27Å; L175-K177 PolarHBondContact O-N 2.9Å; K177-E179 VanDerWaalsContact C-N 3.29Å; K177-E179 PolarHBondContact O-N 3.03Å; K177-T180 PolarHBondContact O-N 2.72Å; K177-E181 WeakPolarHBondContact CE-OE1 3.33Å; K177-E181 IonicContact NZ-OE1 3.65Å; K177-E181 WeakPolarHBondContact O-CG 3.5Å; K177-E181 PolarHBondContact O-N 2.77Å |
| 178 | K | 82.4 | Confident | 82.2 | Confident | 148 Ų | 148 | 55.9 Ų | 55.9 | 64% | 0.643 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -59.7 | -42.4 | -179.8 | -174.8 | -176.9 | 175.4 | -169.9 | 0 | 111.4 | A174 L175 E181 L182 | A174-K178 WeakPolarHBondContact O-CB 3.24Å; A174-K178 PolarHBondContact O-N 3.36Å; L175-K178 PolarHBondContact O-N 3.3Å; K178-E181 PolarHBondContact O-N 3.13Å; K178-L182 WeakPolarHBondContact O-CB 3.11Å; K178-L182 PolarHBondContact O-N 3.19Å |
| 179 | E | 84.7 | Confident | 81.9 | Confident | 36 Ų | 36 | 56 Ų | 56 | 17% | 0.168 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.5 | -44.3 | 179.1 | -168.9 | 51 | -135.9 | 0 | 0 | 111.8 | I133 E134 V137 L175 K177 E181 L182 Q183 | I133-E179 HydrophobicContact CG2-CB 4.12Å; I133-E179 HydrophobicContact CG2-CG 4.34Å; E134-E179 HydrophobicContact CB-CG 4.35Å; E134-E179 HydrophobicContact CG-CG 4.49Å; V137-E179 HydrophobicContact CB-CG 4.5Å; L175-E179 WeakPolarHBondContact O-CB 3.23Å; L175-E179 PolarHBondContact O-N 3.17Å; K177-E179 VanDerWaalsContact C-N 3.29Å; K177-E179 PolarHBondContact O-N 3.03Å; E179-E181 VanDerWaalsContact C-N 3.3Å; E179-E181 PolarHBondContact O-N 3.17Å; E179-L182 WeakPolarHBondContact O-CB 3.03Å; E179-L182 PolarHBondContact O-N 3.14Å; E179-L182 VanDerWaalsContact O-N 3.16Å; E179-Q183 PolarHBondContact O-N 3.11Å; E179-Q183 WeakPolarHBondContact OE1-CG 3.2Å; E179-Q183 PolarHBondContact OE1-NE2 3.41Å |
| 180 | T | 87.3 | Confident | 81.7 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.6 | -43.9 | 174.2 | -56 | 0 | 0 | 0 | 0 | 111.7 | V157 I160 L161 V176 K177 L184 | V157-T180 HydrophobicContact CG1-CG2 3.71Å; I160-T180 HydrophobicContact CB-CG2 4.1Å; I160-T180 HydrophobicContact CD1-CG2 4.3Å; I160-T180 HydrophobicContact CG2-CG2 3.65Å; L161-T180 HydrophobicContact CD2-CG2 4.36Å; V176-T180 WeakPolarHBondContact O-CB 3.21Å; V176-T180 PolarHBondContact O-N 2.89Å; V176-T180 PolarHBondContact O-OG1 3.32Å; K177-T180 PolarHBondContact O-N 2.72Å; T180-L184 HydrophobicContact CG2-CD1 3.93Å; T180-L184 HydrophobicContact CG2-CG 4.42Å; T180-L184 VanDerWaalsContact O-CB 3.28Å; T180-L184 WeakPolarHBondContact O-CB 3.35Å; T180-L184 WeakPolarHBondContact O-CG 3.38Å; T180-L184 PolarHBondContact O-N 2.95Å |
| 181 | E | 87.4 | Confident | 81.4 | Confident | 96 Ų | 96 | 61 Ų | 61 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 177.7 | -73.4 | 174.6 | 178.6 | 0 | 0 | 112.3 | K177 K178 E179 C185 | K177-E181 WeakPolarHBondContact CE-OE1 3.33Å; K177-E181 IonicContact NZ-OE1 3.65Å; K177-E181 WeakPolarHBondContact O-CG 3.5Å; K177-E181 PolarHBondContact O-N 2.77Å; K178-E181 PolarHBondContact O-N 3.13Å; E179-E181 VanDerWaalsContact C-N 3.3Å; E179-E181 PolarHBondContact O-N 3.17Å; E181-C185 VanDerWaalsContact O-CB 3.25Å; E181-C185 WeakPolarHBondContact O-CB 3.22Å; E181-C185 PolarHBondContact O-N 3.26Å |
| 182 | L | 81.8 | Confident | 80.9 | Confident | 99 Ų | 99 | 63.5 Ų | 63.5 | 52% | 0.518 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.2 | -53.5 | 176.2 | -179.9 | 63.1 | 0 | 0 | 0 | 110.9 | K178 E179 L184 C185 T186 | K178-L182 WeakPolarHBondContact O-CB 3.11Å; K178-L182 PolarHBondContact O-N 3.19Å; E179-L182 WeakPolarHBondContact O-CB 3.03Å; E179-L182 PolarHBondContact O-N 3.14Å; E179-L182 VanDerWaalsContact O-N 3.16Å; L182-L184 PolarHBondContact O-N 3.05Å; L182-C185 WeakPolarHBondContact O-CB 3.28Å; L182-C185 PolarHBondContact O-N 3.3Å; L182-C185 VanDerWaalsContact O-N 3.14Å; L182-T186 PolarHBondContact O-N 3.05Å; L182-T186 PolarHBondContact O-OG1 3.36Å; L182-T186 VanDerWaalsContact O-OG1 3.07Å |
| 183 | Q | 84.1 | Confident | 80.2 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 12% | 0.121 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66 | -38.8 | -178.9 | -67 | -169.5 | 21.8 | 0 | 0 | 112.7 | E134 V137 I141 E179 C185 T186 L187 | E134-Q183 PolarHBondContact O-NE2 2.69Å; E134-Q183 VanDerWaalsContact O-NE2 3.16Å; V137-Q183 HydrophobicContact CG1-CB 4.43Å; V137-Q183 HydrophobicContact CG1-CG 4.36Å; I141-Q183 HydrophobicContact CD1-CB 3.42Å; I141-Q183 VanDerWaalsContact CD1-CB 3.42Å; I141-Q183 HydrophobicContact CD1-CG 4.49Å; E179-Q183 PolarHBondContact O-N 3.11Å; E179-Q183 WeakPolarHBondContact OE1-CG 3.2Å; E179-Q183 PolarHBondContact OE1-NE2 3.41Å; Q183-C185 VanDerWaalsContact C-N 3.3Å; Q183-C185 PolarHBondContact O-N 2.92Å; Q183-T186 PolarHBondContact O-N 2.93Å; Q183-L187 WeakPolarHBondContact O-CB 3.43Å; Q183-L187 PolarHBondContact O-N 2.89Å |
| 184 | L | 86.5 | Confident | 79 | Confident | 11 Ų | 11 | 71.8 Ų | 71.8 | 6% | 0.058 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 172.1 | -76.8 | 173.3 | 0 | 0 | 0 | 111.8 | I141 I148 V157 I160 T180 L182 L187 L188 | I141-L184 HydrophobicContact CD1-CD2 4.36Å; I141-L184 HydrophobicContact CD1-CG 4.19Å; I141-L184 HydrophobicContact CG1-CD2 4.47Å; I148-L184 HydrophobicContact CD1-CD2 4.08Å; I148-L184 HydrophobicContact CG1-CD2 4.39Å; I148-L184 HydrophobicContact CG2-CD2 3.72Å; V157-L184 HydrophobicContact CB-CD1 4.37Å; V157-L184 HydrophobicContact CG1-CD1 3.99Å; V157-L184 HydrophobicContact CG2-CD1 3.62Å; I160-L184 HydrophobicContact CD1-CD1 4.34Å; I160-L184 HydrophobicContact CD1-CD2 4.21Å; T180-L184 HydrophobicContact CG2-CD1 3.93Å; T180-L184 HydrophobicContact CG2-CG 4.42Å; T180-L184 VanDerWaalsContact O-CB 3.28Å; T180-L184 WeakPolarHBondContact O-CB 3.35Å; T180-L184 WeakPolarHBondContact O-CG 3.38Å; T180-L184 PolarHBondContact O-N 2.95Å; L182-L184 PolarHBondContact O-N 3.05Å; L184-L187 PolarHBondContact O-N 3.49Å; L184-L188 VanDerWaalsContact O-CB 3.31Å; L184-L188 WeakPolarHBondContact O-CB 3.38Å; L184-L188 WeakPolarHBondContact O-CG 3.28Å; L184-L188 PolarHBondContact O-N 2.72Å |
| 185 | C | 83 | Confident | 78.2 | Confident | 64 Ų | 64 | 70.4 Ų | 70.4 | 43% | 0.432 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.5 | -36.9 | 176.2 | -168.7 | 0 | 0 | 0 | 0 | 112.1 | E181 L182 Q183 G189 | E181-C185 VanDerWaalsContact O-CB 3.25Å; E181-C185 WeakPolarHBondContact O-CB 3.22Å; E181-C185 PolarHBondContact O-N 3.26Å; L182-C185 WeakPolarHBondContact O-CB 3.28Å; L182-C185 PolarHBondContact O-N 3.3Å; L182-C185 VanDerWaalsContact O-N 3.14Å; Q183-C185 VanDerWaalsContact C-N 3.3Å; Q183-C185 PolarHBondContact O-N 2.92Å; C185-G189 WeakPolarHBondContact O-CA 3.21Å; C185-G189 PolarHBondContact O-N 2.99Å |
| 186 | T | 79.5 | Confident | 77.3 | Confident | 112 Ų | 112 | 72.1 Ų | 72.1 | 69% | 0.687 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65 | -45 | 174.9 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | L182 Q183 | L182-T186 PolarHBondContact O-N 3.05Å; L182-T186 PolarHBondContact O-OG1 3.36Å; L182-T186 VanDerWaalsContact O-OG1 3.07Å; Q183-T186 PolarHBondContact O-N 2.93Å |
| 187 | L | 81 | Confident | 75.7 | Confident | 60 Ų | 60 | 79.7 Ų | 79.7 | 31% | 0.314 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.3 | -44.4 | -179.7 | -177.5 | 64.9 | 0 | 0 | 0 | 112.8 | I141 E145 I148 L149 Q183 L184 | I141-L187 HydrophobicContact CG2-CD2 3.76Å; E145-L187 HydrophobicContact CG-CD2 4.32Å; I148-L187 HydrophobicContact CG2-CD2 3.86Å; L149-L187 HydrophobicContact CD2-CD1 4.39Å; L149-L187 HydrophobicContact CD2-CG 4.29Å; Q183-L187 WeakPolarHBondContact O-CB 3.43Å; Q183-L187 PolarHBondContact O-N 2.89Å; L184-L187 PolarHBondContact O-N 3.49Å |
| 188 | L | 82 | Confident | 73.8 | Confident | 9 Ų | 9 | 77.3 Ų | 77.3 | 5% | 0.047 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -88.6 | -20.3 | -172.2 | -64.7 | 176.7 | 0 | 0 | 0 | 113.8 | I148 L149 R152 Y153 L184 | I148-L188 HydrophobicContact CG2-CD1 4.23Å; I148-L188 HydrophobicContact CG2-CD2 4Å; I148-L188 HydrophobicContact CG2-CG 4.24Å; L149-L188 HydrophobicContact CD2-CD2 4.39Å; R152-L188 VanDerWaalsContact C-CD1 3.45Å; R152-L188 HydrophobicContact CB-CD1 4.41Å; R152-L188 HydrophobicContact CB-CD2 4.12Å; R152-L188 HydrophobicContact CG-CD2 4.11Å; R152-L188 PolarHBondContact NH1-O 2.88Å; R152-L188 PolarHBondContact NH2-O 2.93Å; Y153-L188 HydrophobicContact CD1-CD1 4.1Å; Y153-L188 HydrophobicContact CD2-CB 4.38Å; Y153-L188 HydrophobicContact CD2-CD1 4.12Å; Y153-L188 HydrophobicContact CE1-CD1 4.2Å; Y153-L188 HydrophobicContact CE2-CB 3.83Å; Y153-L188 HydrophobicContact CE2-CD1 4.23Å; Y153-L188 HydrophobicContact CG-CD1 4.09Å; L184-L188 VanDerWaalsContact O-CB 3.31Å; L184-L188 WeakPolarHBondContact O-CB 3.38Å; L184-L188 WeakPolarHBondContact O-CG 3.28Å; L184-L188 PolarHBondContact O-N 2.72Å |
| 189 | G | 78 | Confident | 71.8 | Confident | 24 Ų | 24 | 75.3 Ų | 75.3 | 25% | 0.247 | 41% | 0.409 | C | S | . | . | trans | 65.3 | -172.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y153 C185 | Y153-G189 VanDerWaalsContact CE2-O 3.24Å; Y153-G189 WeakPolarHBondContact CE2-O 3.44Å; Y153-G189 PolarHBondContact OH-O 3.47Å; C185-G189 WeakPolarHBondContact O-CA 3.21Å; C185-G189 PolarHBondContact O-N 2.99Å | ||
| 190 | P | 76.1 | Confident | 69.3 | Low | 113 Ų | 113 | 83.1 Ų | 83.1 | 73% | 0.734 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -61.5 | 145.5 | -174.8 | 26.3 | -34.5 | 0 | 0 | 0 | 113.1 | T192 | P190-T192 PolarHBondContact O-N 3.37Š|
| 191 | K | 73.7 | Confident | 66.6 | Low | 115 Ų | 115 | 92.3 Ų | 92.3 | 50% | 0.5 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 130 | 169.6 | -70.7 | -177.4 | 179.1 | -170.5 | 0 | 110.4 | Y153 E195 M196 | Y153-K191 HydrophobicContact CD1-CD 4.47Å; Y153-K191 VanDerWaalsContact CD1-CE 3.48Å; Y153-K191 HydrophobicContact CD1-CG 4.16Å; Y153-K191 HydrophobicContact CD2-CB 4.33Å; Y153-K191 HydrophobicContact CD2-CD 4.41Å; Y153-K191 HydrophobicContact CD2-CG 3.41Å; Y153-K191 VanDerWaalsContact CD2-CG 3.41Å; Y153-K191 HydrophobicContact CE1-CG 4.21Å; Y153-K191 HydrophobicContact CE2-CB 4.29Å; Y153-K191 HydrophobicContact CE2-CG 3.45Å; Y153-K191 VanDerWaalsContact CE2-CG 3.45Å; Y153-K191 HydrophobicContact CG-CD 4.27Å; Y153-K191 HydrophobicContact CG-CG 3.74Å; K191-E195 WeakPolarHBondContact CA-OE2 3.48Å; K191-M196 HydrophobicContact CB-CG 4.04Å |
| 192 | T | 71.6 | Confident | 63.9 | Low | 62 Ų | 62 | 92.3 Ų | 92.3 | 38% | 0.38 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 160.4 | 171.4 | 61.4 | 0 | 0 | 0 | 0 | 110.8 | P190 E194 E195 M196 | P190-T192 PolarHBondContact O-N 3.37Å; T192-E194 PolarHBondContact O-N 2.72Å; T192-E195 PolarHBondContact N-OE2 3.48Å; T192-E195 PolarHBondContact O-N 3.25Å; T192-E195 WeakPolarHBondContact OG1-CG 3.34Å; T192-E195 PolarHBondContact OG1-N 3.24Å; T192-E195 PolarHBondContact OG1-OE2 3.47Å; T192-M196 WeakPolarHBondContact O-CG 3.37Å; T192-M196 PolarHBondContact O-N 3.44Å |
| 193 | L | 62.5 | Low | 61.2 | Low | 143 Ų | 143 | 93.5 Ų | 93.5 | 75% | 0.749 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.8 | -33.3 | 179.6 | -77.8 | 160.6 | 0 | 0 | 0 | 112.8 | M196 Q197 | L193-M196 PolarHBondContact O-N 2.92Å; L193-Q197 WeakPolarHBondContact O-CG 3.32Å; L193-Q197 PolarHBondContact O-N 3.14Å |
| 194 | E | 53.1 | Low | 58.5 | Low | 162 Ų | 162 | 100.2 Ų | 100.2 | 76% | 0.757 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.4 | -38.7 | 177.8 | -67.9 | 156.2 | -171.1 | 0 | 0 | 111.8 | T192 M196 Q197 | T192-E194 PolarHBondContact O-N 2.72Å; E194-M196 VanDerWaalsContact C-N 3.34Å; E194-Q197 PolarHBondContact O-N 3.4Å |
| 195 | E | 59 | Low | 55.6 | Low | 38 Ų | 38 | 107.3 Ų | 107.3 | 18% | 0.178 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -71.5 | -27.9 | 175.7 | -68.6 | 165.4 | 146.8 | 0 | 0 | 112.5 | R152 K191 T192 Q197 | R152-E195 WeakPolarHBondContact CB-OE1 3.11Å; R152-E195 VanDerWaalsContact CD-OE1 3.28Å; R152-E195 WeakPolarHBondContact CD-OE1 3.24Å; R152-E195 IonicContact CZ-OE1 2.83Å; R152-E195 IonicContact NE-OE1 3.68Å; R152-E195 PolarHBondContact NE-OE1 2.79Å; R152-E195 IonicContact NE-OE2 3.69Å; R152-E195 IonicContact NH2-OE2 2.64Å; K191-E195 WeakPolarHBondContact CA-OE2 3.48Å; T192-E195 PolarHBondContact N-OE2 3.48Å; T192-E195 PolarHBondContact O-N 3.25Å; T192-E195 WeakPolarHBondContact OG1-CG 3.34Å; T192-E195 PolarHBondContact OG1-N 3.24Å; T192-E195 PolarHBondContact OG1-OE2 3.47Å; E195-Q197 VanDerWaalsContact C-N 3.27Å; E195-Q197 PolarHBondContact O-N 3.04Å |
| 196 | M | 59.9 | Low | 52.9 | Low | 99 Ų | 99 | 113.1 Ų | 113.1 | 49% | 0.488 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71.8 | -20.9 | 174.4 | -69.7 | -174.5 | 73.2 | 0 | 0 | 113 | K191 T192 L193 E194 G198 | K191-M196 HydrophobicContact CB-CG 4.04Å; T192-M196 WeakPolarHBondContact O-CG 3.37Å; T192-M196 PolarHBondContact O-N 3.44Å; L193-M196 PolarHBondContact O-N 2.92Å; E194-M196 VanDerWaalsContact C-N 3.34Å; M196-G198 VanDerWaalsContact C-N 3.33Å |
| 197 | Q | 51.3 | Low | 50.2 | Low | 163 Ų | 163 | 116.5 Ų | 116.5 | 76% | 0.762 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | 0.1 | -179 | -71.9 | -179.5 | -0.1 | 0 | 0 | 113.9 | L193 E194 E195 | L193-Q197 WeakPolarHBondContact O-CG 3.32Å; L193-Q197 PolarHBondContact O-N 3.14Å; E194-Q197 PolarHBondContact O-N 3.4Å; E195-Q197 VanDerWaalsContact C-N 3.27Å; E195-Q197 PolarHBondContact O-N 3.04Å |
| 198 | G | 45.9 | Very low | 47.4 | Very low | 44 Ų | 44 | 118.2 Ų | 118.2 | 45% | 0.454 | 62% | 0.622 | S | S | . | * | trans | 72.2 | 122.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M196 K200 | M196-G198 VanDerWaalsContact C-N 3.33Å; G198-K200 PolarHBondContact O-N 3.11Å; G198-K200 VanDerWaalsContact O-N 3.07Å | ||
| 199 | I | 39.4 | Very low | 44.6 | Very low | 105 Ų | 105 | 127 Ų | 127 | 54% | 0.538 | 66% | 0.663 | S | S | . | * | trans | -65.1 | 114.3 | -178.1 | -64.4 | -167.3 | 0 | 0 | 0 | 110.5 | S154 K201 | S154-I199 WeakPolarHBondContact OG-CD1 3.32Å; I199-K201 PolarHBondContact O-N 3.07Å | ||
| 200 | K | 32.8 | Very low | 41.8 | Very low | 201 Ų | 201 | 131.7 Ų | 131.7 | 87% | 0.874 | 69% | 0.692 | S | S | * | * | trans | -55.5 | 114.2 | 149.6 | -73.7 | 179.5 | 179.6 | 174.8 | 0 | 106.3 | G198 P202 | G198-K200 PolarHBondContact O-N 3.11Å; G198-K200 VanDerWaalsContact O-N 3.07Å; K200-P202 VanDerWaalsContact O-N 3.16Å | ||
| 201 | K | 29.6 | Very low | 39.1 | Very low | 193 Ų | 193 | 130 Ų | 130 | 84% | 0.839 | 70% | 0.695 | S | S | * | * | trans | -40.7 | 125.4 | 178.6 | -82.4 | -179.5 | 175.2 | 177.8 | 0 | 109.8 | I199 | I199-K201 PolarHBondContact O-N 3.07Š| ||
| 202 | P | 30.9 | Very low | 36.7 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 62% | 0.617 | 71% | 0.71 | S | S | * | * | trans | -59.9 | 148.1 | 176 | 24.3 | -30.6 | 0 | 0 | 0 | 108.8 | K200 Q204 | K200-P202 VanDerWaalsContact O-N 3.16Å; P202-Q204 PolarHBondContact O-N 2.81Å | ||
| 203 | P | 25.9 | Very low | 34.2 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | trans | -59.6 | 114.4 | -177.8 | 23.9 | -28.9 | 0 | 0 | 0 | 107.8 | D205 | P203-D205 PolarHBondContact O-N 2.88Å; P203-D205 VanDerWaalsContact O-N 3.08Å | ||
| 204 | Q | 27.5 | Very low | 32.2 | Very low | 166 Ų | 166 | 135.6 Ų | 135.6 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | -58.6 | 117.2 | 166.2 | -78.1 | -178.6 | -32.1 | 0 | 0 | 106.4 | P202 K206 | P202-Q204 PolarHBondContact O-N 2.81Å; Q204-K206 PolarHBondContact O-N 3.43Å | ||
| 205 | D | 25.9 | Very low | 30.5 | Very low | 160 Ų | 160 | 132 Ų | 132 | 86% | 0.856 | 73% | 0.73 | S | S | * | * | trans | -54.8 | 92 | 158.5 | -86.4 | -34.1 | 0 | 0 | 0 | 107.2 | P203 Q207 | P203-D205 PolarHBondContact O-N 2.88Å; P203-D205 VanDerWaalsContact O-N 3.08Å; D205-Q207 PolarHBondContact O-N 2.8Å | ||
| 206 | K | 25 | Very low | 28.7 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 81% | 0.809 | 76% | 0.763 | S | S | * | * | trans | -69.9 | 81.4 | 163.3 | -77 | -176.8 | 177 | 178.2 | 0 | 106.3 | Q204 A208 | Q204-K206 PolarHBondContact O-N 3.43Å; K206-A208 PolarHBondContact O-N 2.83Å | ||
| 207 | Q | 23.5 | Very low | 26.6 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -55.2 | 122.6 | 140.1 | -80.2 | -174.8 | -0 | 0 | 0 | 107 | D205 Q209 | D205-Q207 PolarHBondContact O-N 2.8Å; Q207-Q209 PolarHBondContact O-N 2.81Å; Q207-Q209 VanDerWaalsContact O-N 3.14Å | ||
| 208 | A | 22.1 | Very low | 25.1 | Very low | 97 Ų | 97 | 136 Ų | 136 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -57.9 | 112.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K206 | K206-A208 PolarHBondContact O-N 2.83Š| ||
| 209 | Q | 22.9 | Very low | 23.8 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -131.7 | 119.3 | 146.1 | -74.8 | -169.2 | 1.3 | 0 | 0 | 109.8 | Q207 | Q207-Q209 PolarHBondContact O-N 2.81Å; Q207-Q209 VanDerWaalsContact O-N 3.14Å | ||
| 210 | S | 19.4 | Very low | 22.8 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -58.6 | 146 | 177.5 | 47.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 211 | G | 20.3 | Very low | 22.4 | Very low | 77 Ų | 77 | 136.3 Ų | 136.3 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | 91 | 102.7 | 140.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 212 | A | 22.1 | Very low | 21.8 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | 167.6 | 96.8 | 115.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | K214 | A212-K214 PolarHBondContact O-N 3.18Š| |||
| 213 | V | 19.3 | Very low | 21.5 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -65.6 | 122.3 | 162.2 | 173.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 214 | K | 21 | Very low | 21.1 | Very low | 208 Ų | 208 | 140.8 Ų | 140.8 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | trans | -121.6 | 87.4 | 157.3 | -88.9 | -174.7 | 178 | 174.4 | 0 | 109.1 | A212 | A212-K214 PolarHBondContact O-N 3.18Š| ||
| 215 | S | 17.2 | Very low | 20.9 | Very low | 87 Ų | 87 | 138.1 Ų | 138.1 | 61% | 0.608 | 81% | 0.812 | S | S | * | * | trans | -73.8 | 133.7 | 154.6 | 43.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 216 | K | 21.2 | Very low | 20.7 | Very low | 203 Ų | 203 | 136.1 Ų | 136.1 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -156.3 | 112.1 | 149.4 | -76.5 | -166.4 | 177.5 | -179.3 | 0 | 103.6 | ||||
| 217 | S | 16.4 | Very low | 20.7 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | cis | 45.7 | 119.2 | 33.3 | 77.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 218 | G | 19.6 | Very low | 20.8 | Very low | 67 Ų | 67 | 132.1 Ų | 132.1 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | trans | 143.5 | 74.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 219 | S | 18.4 | Very low | 20.8 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | 89.2 | 113.8 | 84.1 | -62 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 220 | S | 17.8 | Very low | 20.9 | Very low | 102 Ų | 102 | 129 Ų | 129 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | 29 | 121.5 | 133 | -170.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 221 | V | 24.4 | Very low | 21.2 | Very low | 137 Ų | 137 | 125.9 Ų | 125.9 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | -142 | 124.4 | 136.7 | 177.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 222 | M | 17.5 | Very low | 21.5 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 80% | 0.803 | 79% | 0.793 | S | S | * | * | trans | -71.3 | 144.5 | 167 | -62.9 | 174.5 | 175.6 | 0 | 0 | 110.9 | ||||
| 223 | M | 23.6 | Very low | 21.8 | Very low | 189 Ų | 189 | 130.8 Ų | 130.8 | 93% | 0.931 | 79% | 0.789 | S | S | * | * | trans | -145.4 | 129 | 143.6 | -83.7 | -143.4 | 174.7 | 0 | 0 | 111.6 | ||||
| 224 | N | 18.6 | Very low | 22.4 | Very low | 156 Ų | 156 | 128.4 Ų | 128.4 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -67.3 | 146.4 | 168.9 | -75.4 | -32 | 0 | 0 | 0 | 111.3 | ||||
| 225 | S | 22.3 | Very low | 23 | Very low | 109 Ų | 109 | 126 Ų | 126 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | 151.3 | 108.1 | 114.4 | 53.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 226 | S | 21.6 | Very low | 23.7 | Very low | 118 Ų | 118 | 123.7 Ų | 123.7 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | 66 | 148.1 | 140.5 | -55 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 227 | P | 25.9 | Very low | 24.3 | Very low | 126 Ų | 126 | 116.1 Ų | 116.1 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -109.7 | 142.6 | -138.3 | 37.2 | -27.3 | 0 | 0 | 0 | 114.1 | ||||
| 228 | I | 24.9 | Very low | 25 | Very low | 160 Ų | 160 | 115.2 Ų | 115.2 | 82% | 0.821 | 73% | 0.725 | S | S | * | * | trans | -116.3 | 140.8 | 163.1 | -63.2 | 177.5 | 0 | 0 | 0 | 107.2 | A230 | I228-A230 PolarHBondContact O-N 2.49Š| ||
| 229 | P | 22.5 | Very low | 25.6 | Very low | 120 Ų | 120 | 117.3 Ų | 117.3 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | trans | -65.3 | 130.9 | -155.3 | -18 | 30.6 | 0 | 0 | 0 | 113.5 | G231 | P229-G231 VanDerWaalsContact C-N 3.33Å; P229-G231 PolarHBondContact O-N 3.18Å | ||
| 230 | A | 23.8 | Very low | 26.2 | Very low | 104 Ų | 104 | 116.3 Ų | 116.3 | 86% | 0.86 | 71% | 0.705 | S | S | * | * | trans | -68.8 | 86.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | I228 | I228-A230 PolarHBondContact O-N 2.49Š| ||
| 231 | G | 25.8 | Very low | 26.8 | Very low | 57 Ų | 57 | 115.6 Ų | 115.6 | 59% | 0.588 | 70% | 0.696 | S | S | * | * | trans | -119 | 47.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | P229 F233 | P229-G231 VanDerWaalsContact C-N 3.33Å; P229-G231 PolarHBondContact O-N 3.18Å; G231-F233 PolarHBondContact O-N 2.95Å | ||
| 232 | S | 27.3 | Very low | 27.2 | Very low | 111 Ų | 111 | 113 Ų | 113 | 78% | 0.776 | 68% | 0.681 | S | S | * | * | trans | -72.5 | 92.6 | 177.3 | 58.9 | 0 | 0 | 0 | 0 | 109.1 | S234 | S232-S234 PolarHBondContact O-N 3.23Å; S232-S234 VanDerWaalsContact O-N 3.12Å | ||
| 233 | F | 28.7 | Very low | 28 | Very low | 168 Ų | 168 | 109.2 Ų | 109.2 | 74% | 0.737 | 66% | 0.663 | S | S | * | * | trans | -59.2 | 113.4 | 162.4 | -76 | -88.5 | 0 | 0 | 0 | 107.8 | G231 | G231-F233 PolarHBondContact O-N 2.95Š| ||
| 234 | S | 32.3 | Very low | 28.3 | Very low | 81 Ų | 81 | 103.2 Ų | 103.2 | 57% | 0.566 | 64% | 0.644 | S | S | * | * | trans | -54.7 | 140.1 | 172.7 | 166.1 | 0 | 0 | 0 | 0 | 109.6 | S232 G236 A237 | S232-S234 PolarHBondContact O-N 3.23Å; S232-S234 VanDerWaalsContact O-N 3.12Å; S234-G236 PolarHBondContact O-N 3.21Å; S234-G236 PolarHBondContact OG-N 2.97Å; S234-A237 WeakPolarHBondContact O-CB 3.43Å; S234-A237 PolarHBondContact O-N 2.83Å | ||
| 235 | L | 33.4 | Very low | 28.7 | Very low | 156 Ų | 156 | 100.5 Ų | 100.5 | 82% | 0.817 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -49.9 | -28.8 | 174.8 | -126.9 | 106.2 | 0 | 0 | 0 | 112.3 | I238 L239 | L235-I238 PolarHBondContact O-N 3.29Å; L235-L239 PolarHBondContact O-N 3.11Å; L235-L239 VanDerWaalsContact O-N 3.09Å |
| 236 | G | 31.7 | Very low | 29.1 | Very low | 39 Ų | 39 | 99 Ų | 99 | 40% | 0.402 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67 | -30.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S234 N240 | S234-G236 PolarHBondContact O-N 3.21Å; S234-G236 PolarHBondContact OG-N 2.97Å; G236-N240 PolarHBondContact O-N 2.78Å |
| 237 | A | 33.1 | Very low | 29.7 | Very low | 44 Ų | 44 | 101.2 Ų | 101.2 | 36% | 0.364 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -75.3 | -37 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S234 N240 V241 | S234-A237 WeakPolarHBondContact O-CB 3.43Å; S234-A237 PolarHBondContact O-N 2.83Å; A237-N240 PolarHBondContact O-N 3.13Å; A237-V241 VanDerWaalsContact O-CG2 3.3Å; A237-V241 WeakPolarHBondContact O-CG2 3.42Å; A237-V241 PolarHBondContact O-N 2.89Å |
| 238 | I | 32.1 | Very low | 29.8 | Very low | 95 Ų | 95 | 98 Ų | 98 | 49% | 0.487 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.8 | -40.2 | 175.7 | -60.1 | 175.9 | 0 | 0 | 0 | 110 | L235 V241 V242 | L235-I238 PolarHBondContact O-N 3.29Å; I238-V241 PolarHBondContact O-N 3.36Å; I238-V242 HydrophobicContact CG2-CG2 4.21Å; I238-V242 WeakPolarHBondContact O-CB 3.29Å; I238-V242 VanDerWaalsContact O-CG2 3.24Å; I238-V242 WeakPolarHBondContact O-CG2 3.43Å; I238-V242 PolarHBondContact O-N 3.33Å |
| 239 | L | 31.9 | Very low | 30.1 | Very low | 110 Ų | 110 | 99.5 Ų | 99.5 | 58% | 0.576 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.8 | -40.2 | 178.1 | -163.3 | 69.8 | 0 | 0 | 0 | 112.3 | L235 V242 I243 | L235-L239 PolarHBondContact O-N 3.11Å; L235-L239 VanDerWaalsContact O-N 3.09Å; L239-V242 PolarHBondContact O-N 3.2Å; L239-I243 HydrophobicContact CG-CD1 4.22Å; L239-I243 VanDerWaalsContact O-CG1 3.3Å; L239-I243 WeakPolarHBondContact O-CG1 3.28Å; L239-I243 PolarHBondContact O-N 2.93Å |
| 240 | N | 31.1 | Very low | 30.6 | Very low | 97 Ų | 97 | 102 Ų | 102 | 52% | 0.519 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.1 | -34.1 | 176 | -79.6 | -5.7 | 0 | 0 | 0 | 112.8 | G236 A237 A244 | G236-N240 PolarHBondContact O-N 2.78Å; A237-N240 PolarHBondContact O-N 3.13Å; N240-A244 VanDerWaalsContact O-CB 3.24Å; N240-A244 WeakPolarHBondContact O-CB 3.49Å; N240-A244 PolarHBondContact O-N 2.83Å |
| 241 | V | 31 | Very low | 31.5 | Very low | 87 Ų | 87 | 104.1 Ų | 104.1 | 53% | 0.527 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -71.2 | -39.3 | 173.4 | 174 | 0 | 0 | 0 | 0 | 110.9 | A237 I238 I243 A244 V245 | A237-V241 VanDerWaalsContact O-CG2 3.3Å; A237-V241 WeakPolarHBondContact O-CG2 3.42Å; A237-V241 PolarHBondContact O-N 2.89Å; I238-V241 PolarHBondContact O-N 3.36Å; V241-I243 VanDerWaalsContact C-N 3.35Å; V241-I243 PolarHBondContact O-N 3.24Å; V241-A244 PolarHBondContact O-N 3.36Å; V241-V245 HydrophobicContact CG1-CG2 3.87Å; V241-V245 VanDerWaalsContact O-CB 3.25Å; V241-V245 WeakPolarHBondContact O-CB 3.46Å; V241-V245 WeakPolarHBondContact O-CG2 3.28Å; V241-V245 PolarHBondContact O-N 2.67Å |
| 242 | V | 31.2 | Very low | 32.7 | Very low | 84 Ų | 84 | 103.7 Ų | 103.7 | 51% | 0.509 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.7 | -35.9 | 177.1 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | I238 L239 A246 | I238-V242 HydrophobicContact CG2-CG2 4.21Å; I238-V242 WeakPolarHBondContact O-CB 3.29Å; I238-V242 VanDerWaalsContact O-CG2 3.24Å; I238-V242 WeakPolarHBondContact O-CG2 3.43Å; I238-V242 PolarHBondContact O-N 3.33Å; L239-V242 PolarHBondContact O-N 3.2Å; V242-A246 WeakPolarHBondContact O-CB 3.37Å; V242-A246 PolarHBondContact O-N 2.68Å |
| 243 | I | 35.2 | Very low | 34.2 | Very low | 82 Ų | 82 | 98.6 Ų | 98.6 | 42% | 0.421 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.9 | -42.6 | 172.2 | -66.7 | 168.7 | 0 | 0 | 0 | 110.3 | L239 V241 V245 A246 Y247 | L239-I243 HydrophobicContact CG-CD1 4.22Å; L239-I243 VanDerWaalsContact O-CG1 3.3Å; L239-I243 WeakPolarHBondContact O-CG1 3.28Å; L239-I243 PolarHBondContact O-N 2.93Å; V241-I243 VanDerWaalsContact C-N 3.35Å; V241-I243 PolarHBondContact O-N 3.24Å; I243-V245 PolarHBondContact O-N 2.88Å; I243-A246 PolarHBondContact O-N 2.87Å; I243-Y247 HydrophobicContact CG2-CD2 4.19Å; I243-Y247 HydrophobicContact CG2-CE2 4.29Å; I243-Y247 WeakPolarHBondContact O-CD2 3.42Å; I243-Y247 PolarHBondContact O-N 3.16Å |
| 244 | A | 29.4 | Very low | 35.9 | Very low | 64 Ų | 64 | 94.4 Ų | 94.4 | 53% | 0.529 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.6 | -34.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N240 V241 Y247 A248 | N240-A244 VanDerWaalsContact O-CB 3.24Å; N240-A244 WeakPolarHBondContact O-CB 3.49Å; N240-A244 PolarHBondContact O-N 2.83Å; V241-A244 PolarHBondContact O-N 3.36Å; A244-Y247 CarbonylContact O-C 3.55Å; A244-Y247 PolarHBondContact O-N 3.13Å; A244-A248 PolarHBondContact O-N 2.91Å; A244-A248 VanDerWaalsContact O-N 3.1Å |
| 245 | V | 27.6 | Very low | 37.8 | Very low | 98 Ų | 98 | 92.4 Ų | 92.4 | 59% | 0.594 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -79.7 | -29.9 | 178.4 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | V241 I243 Y247 A248 | V241-V245 HydrophobicContact CG1-CG2 3.87Å; V241-V245 VanDerWaalsContact O-CB 3.25Å; V241-V245 WeakPolarHBondContact O-CB 3.46Å; V241-V245 WeakPolarHBondContact O-CG2 3.28Å; V241-V245 PolarHBondContact O-N 2.67Å; I243-V245 PolarHBondContact O-N 2.88Å; V245-Y247 PolarHBondContact O-N 3.14Å; V245-A248 WeakPolarHBondContact O-CB 3.49Å; V245-A248 PolarHBondContact O-N 2.62Å |
| 246 | A | 29.8 | Very low | 39.8 | Very low | 77 Ų | 77 | 85.2 Ų | 85.2 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.8 | -17.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V242 I243 | V242-A246 WeakPolarHBondContact O-CB 3.37Å; V242-A246 PolarHBondContact O-N 2.68Å; I243-A246 PolarHBondContact O-N 2.87Å |
| 247 | Y | 35.9 | Very low | 41.8 | Very low | 165 Ų | 165 | 85.9 Ų | 85.9 | 65% | 0.647 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 13.2 | 172.2 | -67.9 | -70.8 | 0 | 0 | 0 | 113.1 | I243 A244 V245 | I243-Y247 HydrophobicContact CG2-CD2 4.19Å; I243-Y247 HydrophobicContact CG2-CE2 4.29Å; I243-Y247 WeakPolarHBondContact O-CD2 3.42Å; I243-Y247 PolarHBondContact O-N 3.16Å; A244-Y247 CarbonylContact O-C 3.55Å; A244-Y247 PolarHBondContact O-N 3.13Å; V245-Y247 PolarHBondContact O-N 3.14Å |
| 248 | A | 28.1 | Very low | 43.8 | Very low | 59 Ų | 59 | 85.7 Ų | 85.7 | 49% | 0.488 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -81.5 | 120.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A244 V245 | A244-A248 PolarHBondContact O-N 2.91Å; A244-A248 VanDerWaalsContact O-N 3.1Å; V245-A248 WeakPolarHBondContact O-CB 3.49Å; V245-A248 PolarHBondContact O-N 2.62Å |
| 249 | E | 29.6 | Very low | 46 | Very low | 192 Ų | 192 | 81.4 Ų | 81.4 | 90% | 0.897 | 46% | 0.461 | S | S | * | . | S | Bend | trans | 73.2 | 19.2 | 160.8 | -59 | -173.1 | 169.6 | 0 | 0 | 119.7 | E251 | E249-E251 PolarHBondContact O-N 2.79Š|
| 250 | E | 34.8 | Very low | 48.2 | Very low | 171 Ų | 171 | 76.1 Ų | 76.1 | 80% | 0.799 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -82.6 | 95.6 | 153.8 | -85.9 | -165.1 | -178.5 | 0 | 0 | 109.9 | G252 | E250-G252 PolarHBondContact O-N 2.77Š|
| 251 | E | 41.7 | Very low | 50.2 | Low | 150 Ų | 150 | 79.8 Ų | 79.8 | 70% | 0.701 | 44% | 0.44 | S | S | * | . | trans | -2.4 | 83.2 | 168.6 | -68.5 | -172.6 | 161.9 | 0 | 0 | 114.4 | E249 A253 K263 | E249-E251 PolarHBondContact O-N 2.79Å; E251-A253 PolarHBondContact O-N 2.95Å; E251-K263 WeakPolarHBondContact O-CE 3.49Å; E251-K263 PolarHBondContact O-NZ 3.5Å | ||
| 252 | G | 50.5 | Low | 52.1 | Low | 48 Ų | 48 | 81 Ų | 81 | 50% | 0.495 | 44% | 0.438 | S | S | . | . | trans | -71.2 | 125.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108 | E250 | E250-G252 PolarHBondContact O-N 2.77Š| ||
| 253 | A | 58.5 | Low | 53.9 | Low | 3 Ų | 3 | 81.4 Ų | 81.4 | 3% | 0.025 | 43% | 0.433 | C | S | . | . | trans | -64 | 139.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | E251 S255 E258 L259 K573 | E251-A253 PolarHBondContact O-N 2.95Å; A253-S255 VanDerWaalsContact C-N 3.29Å; A253-S255 WeakPolarHBondContact CB-O 3.48Å; A253-S255 PolarHBondContact O-N 3.33Å; A253-E258 HydrophobicContact CB-CB 3.97Å; A253-E258 HydrophobicContact CB-CG 3.89Å; A253-L259 HydrophobicContact CB-CB 3.61Å; A253-L259 HydrophobicContact CB-CD1 4.16Å; A253-K573 VanDerWaalsContact O-CG 3.26Å; A253-K573 WeakPolarHBondContact O-CG 3.45Å | ||
| 254 | S | 64.6 | Low | 55.7 | Low | 80 Ų | 80 | 78.2 Ų | 78.2 | 56% | 0.559 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -68.4 | -31.7 | -180 | 63.4 | 0 | 0 | 0 | 0 | 112.2 | E258 | S254-E258 WeakPolarHBondContact CB-OE2 3.4Å; S254-E258 PolarHBondContact N-OE2 3.08Å; S254-E258 PolarHBondContact OG-OE2 2.88Å |
| 255 | S | 73.6 | Confident | 58.1 | Low | 39 Ų | 39 | 82 Ų | 82 | 27% | 0.273 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -130.3 | 163.7 | 175.9 | 90.4 | 0 | 0 | 0 | 0 | 112.1 | A253 E257 E258 L259 | A253-S255 VanDerWaalsContact C-N 3.29Å; A253-S255 WeakPolarHBondContact CB-O 3.48Å; A253-S255 PolarHBondContact O-N 3.33Å; S255-E257 VanDerWaalsContact C-N 3.29Å; S255-E257 VanDerWaalsContact CB-OE2 3.31Å; S255-E257 WeakPolarHBondContact CB-OE2 3.27Å; S255-E257 PolarHBondContact O-N 3.01Å; S255-E257 PolarHBondContact OG-N 3.32Å; S255-E257 PolarHBondContact OG-OE2 3.47Å; S255-E258 PolarHBondContact O-N 3.42Å; S255-E258 PolarHBondContact OG-N 3.35Å; S255-E258 VanDerWaalsContact OG-N 3.15Å; S255-L259 PolarHBondContact O-N 3.18Å |
| 256 | I | 74.3 | Confident | 61 | Low | 6 Ų | 6 | 79.3 Ų | 79.3 | 3% | 0.031 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.2 | -36.6 | 172.8 | -170.3 | 64.2 | 0 | 0 | 0 | 111.6 | E258 L259 M260 N320 Y362 A572 | I256-E258 VanDerWaalsContact C-N 3.34Å; I256-E258 PolarHBondContact O-N 2.96Å; I256-L259 HydrophobicContact CD1-CD2 4.04Å; I256-L259 WeakPolarHBondContact O-CB 3.32Å; I256-L259 PolarHBondContact O-N 2.93Å; I256-M260 HydrophobicContact CD1-CE 3.78Å; I256-M260 HydrophobicContact CG1-CE 4.28Å; I256-M260 WeakPolarHBondContact O-CB 3.32Å; I256-M260 WeakPolarHBondContact O-CG 3.42Å; I256-M260 PolarHBondContact O-N 3.33Å; I256-N320 HydrophobicContact CD1-CB 4.04Å; I256-N320 HydrophobicContact CG1-CB 4.05Å; I256-N320 VanDerWaalsContact CG1-O 3.27Å; I256-N320 WeakPolarHBondContact CG1-O 3.48Å; I256-Y362 VanDerWaalsContact CG2-OH 3.24Å; I256-Y362 WeakPolarHBondContact CG2-OH 3.26Å; I256-A572 HydrophobicContact CB-CB 4.23Å; I256-A572 HydrophobicContact CD1-CB 4.34Å |
| 257 | E | 73.9 | Confident | 63.9 | Low | 52 Ų | 52 | 76.4 Ų | 76.4 | 24% | 0.243 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 177.1 | -58 | 91.7 | 162.8 | 0 | 0 | 111.8 | S255 R261 K327 A328 | S255-E257 VanDerWaalsContact C-N 3.29Å; S255-E257 VanDerWaalsContact CB-OE2 3.31Å; S255-E257 WeakPolarHBondContact CB-OE2 3.27Å; S255-E257 PolarHBondContact O-N 3.01Å; S255-E257 PolarHBondContact OG-N 3.32Å; S255-E257 PolarHBondContact OG-OE2 3.47Å; E257-R261 WeakPolarHBondContact O-CB 3.4Å; E257-R261 PolarHBondContact O-N 3.11Å; E257-K327 HydrophobicContact CG-CD 4.42Å; E257-K327 WeakPolarHBondContact OE1-CD 3.42Å; E257-K327 WeakPolarHBondContact OE1-CE 3.44Å; E257-K327 IonicContact OE1-NZ 3.98Å; E257-K327 PolarHBondContact OE1-NZ 3.03Å; E257-A328 HydrophobicContact CB-CB 3.98Å; E257-A328 HydrophobicContact CG-CB 4.36Å |
| 258 | E | 75.4 | Confident | 66.5 | Low | 41 Ų | 41 | 75.4 Ų | 75.4 | 19% | 0.192 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 173.5 | -178.8 | -179.7 | -163.3 | 0 | 0 | 111.6 | A253 S254 S255 I256 M260 R261 K262 | A253-E258 HydrophobicContact CB-CB 3.97Å; A253-E258 HydrophobicContact CB-CG 3.89Å; S254-E258 WeakPolarHBondContact CB-OE2 3.4Å; S254-E258 PolarHBondContact N-OE2 3.08Å; S254-E258 PolarHBondContact OG-OE2 2.88Å; S255-E258 PolarHBondContact O-N 3.42Å; S255-E258 PolarHBondContact OG-N 3.35Å; S255-E258 VanDerWaalsContact OG-N 3.15Å; I256-E258 VanDerWaalsContact C-N 3.34Å; I256-E258 PolarHBondContact O-N 2.96Å; E258-M260 VanDerWaalsContact C-N 3.32Å; E258-M260 PolarHBondContact O-N 2.97Å; E258-R261 PolarHBondContact O-N 2.89Å; E258-K262 HydrophobicContact CG-CD 3.9Å; E258-K262 HydrophobicContact CG-CG 4.39Å; E258-K262 WeakPolarHBondContact O-CB 3.11Å; E258-K262 PolarHBondContact O-N 2.77Å; E258-K262 VanDerWaalsContact OE1-CE 3.27Å; E258-K262 WeakPolarHBondContact OE1-CE 3.28Å; E258-K262 IonicContact OE1-NZ 2.9Å; E258-K262 PolarHBondContact OE1-NZ 3.02Å |
| 259 | L | 77.5 | Confident | 69.6 | Low | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.9 | -49.6 | 176.2 | -178.5 | 72 | 0 | 0 | 0 | 110.2 | A253 S255 I256 K262 K263 | A253-L259 HydrophobicContact CB-CB 3.61Å; A253-L259 HydrophobicContact CB-CD1 4.16Å; S255-L259 PolarHBondContact O-N 3.18Å; I256-L259 HydrophobicContact CD1-CD2 4.04Å; I256-L259 WeakPolarHBondContact O-CB 3.32Å; I256-L259 PolarHBondContact O-N 2.93Å; L259-K262 PolarHBondContact O-N 3.5Å; L259-K263 HydrophobicContact CD1-CB 4.24Å; L259-K263 HydrophobicContact CD1-CD 3.85Å; L259-K263 HydrophobicContact CD1-CG 4.2Å; L259-K263 PolarHBondContact O-N 2.79Å |
| 260 | M | 78 | Confident | 72.5 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.3 | -43.7 | -178.5 | -70.1 | -59.3 | 172.3 | 0 | 0 | 111.4 | I256 E258 K262 A264 I321 Y325 A328 L577 | I256-M260 HydrophobicContact CD1-CE 3.78Å; I256-M260 HydrophobicContact CG1-CE 4.28Å; I256-M260 WeakPolarHBondContact O-CB 3.32Å; I256-M260 WeakPolarHBondContact O-CG 3.42Å; I256-M260 PolarHBondContact O-N 3.33Å; E258-M260 VanDerWaalsContact C-N 3.32Å; E258-M260 PolarHBondContact O-N 2.97Å; M260-K262 PolarHBondContact O-N 2.99Å; M260-A264 WeakPolarHBondContact O-CB 3.18Å; M260-A264 PolarHBondContact O-N 3.27Å; M260-A264 HydrophobicContact SD-CB 4.35Å; M260-I321 HydrophobicContact CE-CB 3.97Å; M260-I321 HydrophobicContact CE-CG1 3.78Å; M260-I321 HydrophobicContact CE-CG2 4.07Å; M260-Y325 HydrophobicContact CB-CD2 4.02Å; M260-Y325 HydrophobicContact CG-CD2 4.21Å; M260-Y325 HydrophobicContact SD-CD2 3.81Å; M260-Y325 HydrophobicContact SD-CG 4.29Å; M260-A328 HydrophobicContact CB-CB 3.88Å; M260-L577 HydrophobicContact CE-CD2 3.88Å; M260-L577 HydrophobicContact CE-CG 4.47Å; M260-L577 HydrophobicContact SD-CD1 3.91Å; M260-L577 HydrophobicContact SD-CD2 4.05Å; M260-L577 HydrophobicContact SD-CG 4.34Å |
| 261 | R | 72.9 | Confident | 75.3 | Confident | 174 Ų | 174 | 60 Ų | 60 | 66% | 0.657 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -68 | -33.3 | -179.9 | -167.9 | 179.8 | 67 | -173.6 | -1.3 | 113.6 | E257 E258 | E257-R261 WeakPolarHBondContact O-CB 3.4Å; E257-R261 PolarHBondContact O-N 3.11Å; E258-R261 PolarHBondContact O-N 2.89Å |
| 262 | K | 72.3 | Confident | 77.8 | Confident | 111 Ų | 111 | 52.9 Ų | 52.9 | 48% | 0.483 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -93.8 | -41.5 | -174.5 | -73.5 | -176.4 | 171.2 | 177.4 | 0 | 114 | E258 L259 M260 | E258-K262 HydrophobicContact CG-CD 3.9Å; E258-K262 HydrophobicContact CG-CG 4.39Å; E258-K262 WeakPolarHBondContact O-CB 3.11Å; E258-K262 PolarHBondContact O-N 2.77Å; E258-K262 VanDerWaalsContact OE1-CE 3.27Å; E258-K262 WeakPolarHBondContact OE1-CE 3.28Å; E258-K262 IonicContact OE1-NZ 2.9Å; E258-K262 PolarHBondContact OE1-NZ 3.02Å; L259-K262 PolarHBondContact O-N 3.5Å; M260-K262 PolarHBondContact O-N 2.99Å |
| 263 | K | 67.7 | Low | 79.8 | Confident | 93 Ų | 93 | 54.7 Ų | 54.7 | 40% | 0.404 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -108.9 | -13.5 | -169.1 | -61.4 | -162.6 | -176.5 | -177 | 0 | 113.9 | E251 L259 N265 | E251-K263 WeakPolarHBondContact O-CE 3.49Å; E251-K263 PolarHBondContact O-NZ 3.5Å; L259-K263 HydrophobicContact CD1-CB 4.24Å; L259-K263 HydrophobicContact CD1-CD 3.85Å; L259-K263 HydrophobicContact CD1-CG 4.2Å; L259-K263 PolarHBondContact O-N 2.79Å; K263-N265 PolarHBondContact O-N 2.98Å |
| 264 | A | 74.4 | Confident | 81.4 | Confident | 15 Ų | 15 | 60.2 Ų | 60.2 | 12% | 0.124 | 29% | 0.289 | C | S | . | . | trans | -81 | 98.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | M260 F266 Y325 L577 | M260-A264 WeakPolarHBondContact O-CB 3.18Å; M260-A264 PolarHBondContact O-N 3.27Å; M260-A264 HydrophobicContact SD-CB 4.35Å; A264-F266 HydrophobicContact CB-CD2 3.94Å; A264-F266 HydrophobicContact CB-CE2 4.02Å; A264-F266 HydrophobicContact CB-CG 4.33Å; A264-F266 HydrophobicContact CB-CZ 4.49Å; A264-F266 PolarHBondContact O-N 3.47Å; A264-Y325 HydrophobicContact CB-CD2 4.23Å; A264-Y325 HydrophobicContact CB-CE2 3.95Å; A264-L577 HydrophobicContact CB-CD1 3.48Å; A264-L577 VanDerWaalsContact CB-CD1 3.48Å | ||
| 265 | N | 78.9 | Confident | 82.6 | Confident | 145 Ų | 145 | 57.4 Ų | 57.4 | 78% | 0.775 | 27% | 0.268 | S | S | * | . | trans | -83.6 | 51.8 | 171.2 | -72.5 | -12.7 | 0 | 0 | 0 | 111.2 | K263 | K263-N265 PolarHBondContact O-N 2.98Š| ||
| 266 | F | 88.8 | Confident | 83.3 | Confident | 40 Ų | 40 | 64.3 Ų | 64.3 | 18% | 0.175 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 157.9 | 175.6 | -58.2 | -28.6 | 0 | 0 | 0 | 111.3 | A264 Y325 H488 L490 W517 L577 | A264-F266 HydrophobicContact CB-CD2 3.94Å; A264-F266 HydrophobicContact CB-CE2 4.02Å; A264-F266 HydrophobicContact CB-CG 4.33Å; A264-F266 HydrophobicContact CB-CZ 4.49Å; A264-F266 PolarHBondContact O-N 3.47Å; F266-Y325 HydrophobicContact CD2-CD1 4.46Å; F266-Y325 AromaticContact CD2-CD2 3.99Å; F266-Y325 HydrophobicContact CD2-CD2 3.99Å; F266-Y325 HydrophobicContact CD2-CE1 4.03Å; F266-Y325 AromaticContact CD2-CE2 3.55Å; F266-Y325 HydrophobicContact CD2-CE2 3.55Å; F266-Y325 HydrophobicContact CD2-CG 4.45Å; F266-Y325 AromaticContact CD2-CZ 3.57Å; F266-Y325 HydrophobicContact CE2-CD2 4.19Å; F266-Y325 HydrophobicContact CE2-CE2 4.19Å; F266-Y325 HydrophobicContact CG-CE2 4.49Å; F266-H488 WeakPolarHBondContact CB-NE2 3.36Å; F266-H488 AromaticContact CD2-CD2 3.8Å; F266-H488 AromaticContact CG-CD2 3.9Å; F266-L490 HydrophobicContact CD2-CD2 4.42Å; F266-L490 HydrophobicContact CE2-CD2 3.82Å; F266-L490 HydrophobicContact CZ-CD2 4.1Å; F266-W517 AromaticContact CD1-CD2 3.42Å; F266-W517 HydrophobicContact CD1-CD2 3.42Å; F266-W517 VanDerWaalsContact CD1-CD2 3.42Å; F266-W517 AromaticContact CD1-CE2 3.52Å; F266-W517 AromaticContact CD1-CE3 3.77Å; F266-W517 HydrophobicContact CD1-CE3 3.77Å; F266-W517 AromaticContact CD1-CG 3.8Å; F266-W517 HydrophobicContact CD1-CG 3.8Å; F266-W517 HydrophobicContact CD1-CH2 4.25Å; F266-W517 AromaticContact CD1-CZ2 3.96Å; F266-W517 HydrophobicContact CD1-CZ2 3.96Å; F266-W517 HydrophobicContact CD1-CZ3 4.17Å; F266-W517 AromaticContact CD1-NE1 3.91Å; F266-W517 HydrophobicContact CE1-CB 4.05Å; F266-W517 AromaticContact CE1-CD2 3.57Å; F266-W517 HydrophobicContact CE1-CD2 3.57Å; F266-W517 AromaticContact CE1-CE3 3.7Å; F266-W517 HydrophobicContact CE1-CE3 3.7Å; F266-W517 AromaticContact CE1-CG 3.74Å; F266-W517 HydrophobicContact CE1-CG 3.74Å; F266-W517 HydrophobicContact CE1-CZ3 4.37Å; F266-W517 HydrophobicContact CG-CD2 4.33Å; F266-W517 HydrophobicContact CG-CG 4.43Å; F266-W517 HydrophobicContact CZ-CB 4.3Å; F266-W517 HydrophobicContact CZ-CG 4.32Å; F266-L577 HydrophobicContact CZ-CD1 4.43Å; F266-L577 HydrophobicContact CZ-CD2 4.19Å |
| 267 | H | 90.4 | Very high | 83.8 | Confident | 17 Ų | 17 | 66.8 Ų | 66.8 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 152.3 | 177.1 | 68.4 | -68.9 | 0 | 0 | 0 | 111.5 | N272 T487 H488 V515 W517 | H267-N272 PolarHBondContact CD2-OD1 2.95Å; H267-N272 PolarHBondContact NE2-OD1 3.49Å; H267-T487 PolarHBondContact CE1-O 2.94Å; H267-T487 PolarHBondContact NE2-O 3.3Å; H267-H488 AromaticContact CE1-CD2 3.69Å; H267-H488 AromaticContact CE1-CE1 3.85Å; H267-H488 AromaticContact CE1-NE2 3.58Å; H267-H488 AromaticContact ND1-NE2 3.75Å; H267-H488 PolarHBondContact O-CE1 3.09Å; H267-H488 PolarHBondContact O-NE2 3.16Å; H267-V515 VanDerWaalsContact CE1-CB 3.4Å; H267-V515 WeakPolarHBondContact CE1-CB 3.36Å; H267-V515 WeakPolarHBondContact CE1-CG2 3.48Å; H267-W517 AromaticContact CE1-NE1 3.89Å; H267-W517 AromaticContact ND1-NE1 3.5Å; H267-W517 PolarHBondContact ND1-NE1 2.86Å |
| 268 | K | 91.3 | Very high | 84.6 | Confident | 144 Ų | 144 | 65.4 Ų | 65.4 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 150 | 171.1 | -66.3 | 178.7 | -179.7 | 176.9 | 0 | 110.1 | G270 E271 | K268-G270 PolarHBondContact O-N 2.84Å; K268-E271 HydrophobicContact CB-CB 4.42Å; K268-E271 HydrophobicContact CB-CG 4.05Å; K268-E271 WeakPolarHBondContact O-CB 3.34Å; K268-E271 PolarHBondContact O-N 3.19Å |
| 269 | P | 92.3 | Very high | 85.2 | Confident | 30 Ų | 30 | 67 Ų | 67 | 20% | 0.195 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | 128.3 | 171.9 | -28.9 | 36.7 | 0 | 0 | 0 | 111.7 | E271 L292 V299 T487 | P269-E271 VanDerWaalsContact C-N 3.33Å; P269-L292 HydrophobicContact CB-CD2 4.3Å; P269-V299 HydrophobicContact CG-CG2 3.96Å; P269-T487 HydrophobicContact CB-CG2 4.17Å; P269-T487 HydrophobicContact CG-CG2 4.35Å |
| 270 | G | 91 | Very high | 85.9 | Confident | 10 Ų | 10 | 70.9 Ų | 70.9 | 10% | 0.103 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | K268 | K268-G270 PolarHBondContact O-N 2.84Š|
| 271 | E | 94.2 | Very high | 86.5 | Confident | 58 Ų | 58 | 72.2 Ų | 72.2 | 27% | 0.271 | 36% | 0.36 | S | S | . | . | trans | -101.1 | 23.3 | 176.1 | -57.7 | -163.4 | 149.2 | 0 | 0 | 113 | K268 P269 Y273 K274 | K268-E271 HydrophobicContact CB-CB 4.42Å; K268-E271 HydrophobicContact CB-CG 4.05Å; K268-E271 WeakPolarHBondContact O-CB 3.34Å; K268-E271 PolarHBondContact O-N 3.19Å; P269-E271 VanDerWaalsContact C-N 3.33Å; E271-Y273 PolarHBondContact O-N 2.74Å; E271-Y273 VanDerWaalsContact O-N 3.15Å; E271-K274 HydrophobicContact CB-CD 4.08Å; E271-K274 HydrophobicContact CB-CG 4.34Å; E271-K274 HydrophobicContact CG-CD 4.44Å; E271-K274 WeakPolarHBondContact O-CB 3.29Å; E271-K274 PolarHBondContact O-N 3.45Å; E271-K274 IonicContact OE1-NZ 2.73Å; E271-K274 PolarHBondContact OE1-NZ 3.3Å; E271-K274 IonicContact OE2-NZ 3.53Å; E271-K274 PolarHBondContact OE2-NZ 3.01Å | ||
| 272 | N | 93.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -51.3 | -42.1 | -176.6 | -58.9 | 41.1 | 0 | 0 | 0 | 112.3 | H267 K274 T275 Y278 L288 Y512 C513 V515 | H267-N272 PolarHBondContact CD2-OD1 2.95Å; H267-N272 PolarHBondContact NE2-OD1 3.49Å; N272-K274 PolarHBondContact O-N 2.93Å; N272-K274 VanDerWaalsContact O-N 3.12Å; N272-T275 VanDerWaalsContact O-CB 3.26Å; N272-T275 WeakPolarHBondContact O-CB 3.32Å; N272-T275 PolarHBondContact O-N 3.38Å; N272-T275 PolarHBondContact O-OG1 2.94Å; N272-Y278 HydrophobicContact CB-CD2 4.33Å; N272-Y278 HydrophobicContact CB-CE1 4.42Å; N272-Y278 HydrophobicContact CB-CE2 3.78Å; N272-L288 HydrophobicContact CB-CD2 3.96Å; N272-Y512 PolarHBondContact ND2-OH 3.49Å; N272-C513 PolarHBondContact ND2-O 3.02Å; N272-V515 HydrophobicContact CB-CG2 3.57Å |
| 273 | Y | 91.2 | Very high | 88.5 | Confident | 86 Ų | 86 | 68 Ų | 68 | 34% | 0.337 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -62.6 | -15.1 | -179.9 | 68.5 | -88.4 | 0 | 0 | 0 | 114.9 | E271 T275 M285 L288 | E271-Y273 PolarHBondContact O-N 2.74Å; E271-Y273 VanDerWaalsContact O-N 3.15Å; Y273-T275 VanDerWaalsContact C-N 3.3Å; Y273-M285 HydrophobicContact CD1-CE 4.34Å; Y273-M285 HydrophobicContact CD1-SD 4.22Å; Y273-M285 HydrophobicContact CD2-CE 4.39Å; Y273-M285 HydrophobicContact CE1-CE 4.19Å; Y273-M285 HydrophobicContact CE1-SD 4.31Å; Y273-M285 HydrophobicContact CE2-CE 4.25Å; Y273-M285 HydrophobicContact CG-CE 4.44Å; Y273-L288 HydrophobicContact CD1-CD1 3.67Å; Y273-L288 HydrophobicContact CE1-CD1 4.4Å |
| 274 | K | 92.1 | Very high | 89.7 | Confident | 119 Ų | 119 | 63.7 Ų | 63.7 | 52% | 0.517 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -83.4 | -8.9 | 173.9 | -59 | -173.7 | -174.9 | 171.6 | 0 | 112.5 | E271 N272 | E271-K274 HydrophobicContact CB-CD 4.08Å; E271-K274 HydrophobicContact CB-CG 4.34Å; E271-K274 HydrophobicContact CG-CD 4.44Å; E271-K274 WeakPolarHBondContact O-CB 3.29Å; E271-K274 PolarHBondContact O-N 3.45Å; E271-K274 IonicContact OE1-NZ 2.73Å; E271-K274 PolarHBondContact OE1-NZ 3.3Å; E271-K274 IonicContact OE2-NZ 3.53Å; E271-K274 PolarHBondContact OE2-NZ 3.01Å; N272-K274 PolarHBondContact O-N 2.93Å; N272-K274 VanDerWaalsContact O-N 3.12Å |
| 275 | T | 91.4 | Very high | 90.7 | Very high | 21 Ų | 21 | 68.1 Ų | 68.1 | 13% | 0.129 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -75.6 | 137.5 | 179.3 | -48 | 0 | 0 | 0 | 0 | 110.3 | N272 Y273 G277 Y278 V515 W517 | N272-T275 VanDerWaalsContact O-CB 3.26Å; N272-T275 WeakPolarHBondContact O-CB 3.32Å; N272-T275 PolarHBondContact O-N 3.38Å; N272-T275 PolarHBondContact O-OG1 2.94Å; Y273-T275 VanDerWaalsContact C-N 3.3Å; T275-G277 PolarHBondContact O-N 3.42Å; T275-Y278 VanDerWaalsContact O-CB 3.23Å; T275-Y278 WeakPolarHBondContact O-CB 3.49Å; T275-Y278 PolarHBondContact O-N 3.21Å; T275-Y278 VanDerWaalsContact O-N 3.14Å; T275-V515 HydrophobicContact CG2-CG1 3.69Å; T275-W517 HydrophobicContact CG2-CH2 4.05Å; T275-W517 HydrophobicContact CG2-CZ2 3.71Å |
| 276 | E | 86.6 | Confident | 91.5 | Very high | 184 Ų | 184 | 67.8 Ų | 67.8 | 86% | 0.86 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 133.4 | 175.9 | -169.9 | 179.6 | 177.4 | 0 | 0 | 111.8 | Y278 | E276-Y278 PolarHBondContact O-N 2.79Š|
| 277 | G | 86.1 | Confident | 91.9 | Very high | 59 Ų | 59 | 67.4 Ų | 67.4 | 61% | 0.608 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 3.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T275 | T275-G277 PolarHBondContact O-N 3.42Š|
| 278 | Y | 90.3 | Very high | 92.1 | Very high | 23 Ų | 23 | 66.9 Ų | 66.9 | 9% | 0.09 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 129.2 | 174.4 | -166.8 | -89.4 | 0 | 0 | 0 | 111.1 | N272 T275 E276 V280 T284 C513 V515 | N272-Y278 HydrophobicContact CB-CD2 4.33Å; N272-Y278 HydrophobicContact CB-CE1 4.42Å; N272-Y278 HydrophobicContact CB-CE2 3.78Å; T275-Y278 VanDerWaalsContact O-CB 3.23Å; T275-Y278 WeakPolarHBondContact O-CB 3.49Å; T275-Y278 PolarHBondContact O-N 3.21Å; T275-Y278 VanDerWaalsContact O-N 3.14Å; E276-Y278 PolarHBondContact O-N 2.79Å; Y278-V280 HydrophobicContact CD1-CG2 4.23Å; Y278-T284 HydrophobicContact CE1-CG2 4Å; Y278-C513 HydrophobicContact CE2-CB 4.32Å; Y278-C513 VanDerWaalsContact CE2-O 3.31Å; Y278-C513 WeakPolarHBondContact CE2-O 3.4Å; Y278-C513 WeakPolarHBondContact OH-CB 3.48Å; Y278-C513 PolarHBondContact OH-O 3.4Å; Y278-V515 HydrophobicContact CD2-CG2 3.95Å; Y278-V515 HydrophobicContact CE2-CG2 4Å |
| 279 | V | 88.7 | Confident | 92.3 | Very high | 74 Ų | 74 | 65 Ų | 65 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -90 | 119 | -178.8 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | N507 | V279-N507 WeakPolarHBondContact CB-ND2 3.31Š|
| 280 | V | 90.7 | Very high | 92.4 | Very high | 86 Ų | 86 | 67.4 Ų | 67.4 | 52% | 0.521 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -94.9 | 124.5 | 178.1 | -177 | 0 | 0 | 0 | 0 | 110.1 | Y278 T284 | Y278-V280 HydrophobicContact CD1-CG2 4.23Å; V280-T284 HydrophobicContact CG1-CG2 4.24Å |
| 281 | T | 92.5 | Very high | 92.7 | Very high | 27 Ų | 27 | 67 Ų | 67 | 17% | 0.166 | 35% | 0.353 | C | S | . | . | trans | -107.5 | 166.3 | 174.6 | 74.7 | 0 | 0 | 0 | 0 | 110.5 | N283 T284 N507 | T281-N283 PolarHBondContact O-N 3.08Å; T281-N283 VanDerWaalsContact O-N 3.12Å; T281-T284 PolarHBondContact N-OG1 3.2Å; T281-T284 WeakPolarHBondContact O-CB 3.5Å; T281-T284 PolarHBondContact O-N 3.38Å; T281-T284 PolarHBondContact O-OG1 3.14Å; T281-T284 PolarHBondContact OG1-OG1 2.96Å; T281-N507 HydrophobicContact CG2-CB 3.84Å | ||
| 282 | P | 93 | Very high | 92.7 | Very high | 133 Ų | 133 | 67.3 Ų | 67.3 | 86% | 0.864 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.4 | 178.4 | -27.6 | 36.5 | 0 | 0 | 0 | 114.4 | ||
| 283 | N | 94.2 | Very high | 92.8 | Very high | 63 Ų | 63 | 74 Ų | 74 | 34% | 0.337 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -7.9 | -179.2 | -70.8 | -42.3 | 0 | 0 | 0 | 113.7 | T281 M285 K286 L287 D510 | T281-N283 PolarHBondContact O-N 3.08Å; T281-N283 VanDerWaalsContact O-N 3.12Å; N283-M285 PolarHBondContact O-N 3.25Å; N283-K286 PolarHBondContact O-N 2.76Å; N283-K286 VanDerWaalsContact O-N 3.16Å; N283-L287 HydrophobicContact CB-CD1 4Å; N283-L287 HydrophobicContact CB-CG 4.38Å; N283-L287 VanDerWaalsContact O-CG 3.32Å; N283-L287 WeakPolarHBondContact O-CG 3.5Å; N283-L287 PolarHBondContact O-N 3.25Å; N283-D510 PolarHBondContact ND2-OD1 3.12Å |
| 284 | T | 92.4 | Very high | 93 | Very high | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.018 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -52.6 | -48.6 | -173.8 | -65.5 | 0 | 0 | 0 | 0 | 112.7 | Y278 V280 T281 K286 L287 L288 | Y278-T284 HydrophobicContact CE1-CG2 4Å; V280-T284 HydrophobicContact CG1-CG2 4.24Å; T281-T284 PolarHBondContact N-OG1 3.2Å; T281-T284 WeakPolarHBondContact O-CB 3.5Å; T281-T284 PolarHBondContact O-N 3.38Å; T281-T284 PolarHBondContact O-OG1 3.14Å; T281-T284 PolarHBondContact OG1-OG1 2.96Å; T284-K286 PolarHBondContact O-N 3.44Å; T284-L287 PolarHBondContact O-N 2.63Å; T284-L288 HydrophobicContact CG2-CD1 3.82Å; T284-L288 HydrophobicContact CG2-CG 4.32Å; T284-L288 VanDerWaalsContact O-CG 3.28Å; T284-L288 WeakPolarHBondContact O-CG 3.48Å; T284-L288 PolarHBondContact O-N 2.81Å |
| 285 | M | 95.3 | Very high | 93.1 | Very high | 109 Ų | 109 | 68.2 Ų | 68.2 | 54% | 0.537 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.5 | -39.5 | -177.3 | -66.3 | -55.2 | -148.9 | 0 | 0 | 112.8 | Y273 N283 L288 E289 | Y273-M285 HydrophobicContact CD1-CE 4.34Å; Y273-M285 HydrophobicContact CD1-SD 4.22Å; Y273-M285 HydrophobicContact CD2-CE 4.39Å; Y273-M285 HydrophobicContact CE1-CE 4.19Å; Y273-M285 HydrophobicContact CE1-SD 4.31Å; Y273-M285 HydrophobicContact CE2-CE 4.25Å; Y273-M285 HydrophobicContact CG-CE 4.44Å; N283-M285 PolarHBondContact O-N 3.25Å; M285-L288 PolarHBondContact O-N 3.35Å; M285-L288 HydrophobicContact SD-CD1 4.23Å; M285-E289 PolarHBondContact O-N 3.32Å |
| 286 | K | 95.8 | Very high | 93.3 | Very high | 137 Ų | 137 | 70.4 Ų | 70.4 | 60% | 0.596 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64.7 | -41.5 | 175.6 | -179.2 | -177.1 | 177.1 | -176.1 | 0 | 111.4 | N283 T284 E289 N290 | N283-K286 PolarHBondContact O-N 2.76Å; N283-K286 VanDerWaalsContact O-N 3.16Å; T284-K286 PolarHBondContact O-N 3.44Å; K286-E289 PolarHBondContact O-N 3.35Å; K286-N290 PolarHBondContact O-N 3.23Å; K286-N290 VanDerWaalsContact O-N 3.1Å |
| 287 | L | 95.9 | Very high | 93.6 | Very high | 33 Ų | 33 | 63.4 Ų | 63.4 | 17% | 0.173 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 177.5 | -68.3 | 166.2 | 0 | 0 | 0 | 111.5 | N283 T284 N290 H291 | N283-L287 HydrophobicContact CB-CD1 4Å; N283-L287 HydrophobicContact CB-CG 4.38Å; N283-L287 VanDerWaalsContact O-CG 3.32Å; N283-L287 WeakPolarHBondContact O-CG 3.5Å; N283-L287 PolarHBondContact O-N 3.25Å; T284-L287 PolarHBondContact O-N 2.63Å; L287-N290 PolarHBondContact O-N 3.26Å; L287-H291 VanDerWaalsContact O-CB 3.31Å; L287-H291 WeakPolarHBondContact O-CB 3.47Å; L287-H291 PolarHBondContact O-N 3.36Å |
| 288 | L | 95 | Very high | 94 | Very high | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.031 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 174.6 | -70.9 | 171.6 | 0 | 0 | 0 | 112.2 | N272 Y273 T284 M285 H291 L292 Y512 | N272-L288 HydrophobicContact CB-CD2 3.96Å; Y273-L288 HydrophobicContact CD1-CD1 3.67Å; Y273-L288 HydrophobicContact CE1-CD1 4.4Å; T284-L288 HydrophobicContact CG2-CD1 3.82Å; T284-L288 HydrophobicContact CG2-CG 4.32Å; T284-L288 VanDerWaalsContact O-CG 3.28Å; T284-L288 WeakPolarHBondContact O-CG 3.48Å; T284-L288 PolarHBondContact O-N 2.81Å; M285-L288 PolarHBondContact O-N 3.35Å; M285-L288 HydrophobicContact SD-CD1 4.23Å; L288-H291 PolarHBondContact O-N 3.49Å; L288-L292 WeakPolarHBondContact O-CB 3.43Å; L288-L292 WeakPolarHBondContact O-CG 3.49Å; L288-L292 PolarHBondContact O-N 2.98Å; L288-Y512 HydrophobicContact CD2-CD2 4.17Å; L288-Y512 HydrophobicContact CD2-CE2 3.78Å |
| 289 | E | 95.3 | Very high | 94.3 | Very high | 103 Ų | 103 | 65.2 Ų | 65.2 | 48% | 0.481 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 174.4 | -166.9 | -167.4 | 160.4 | 0 | 0 | 111.7 | M285 K286 L292 K293 | M285-E289 PolarHBondContact O-N 3.32Å; K286-E289 PolarHBondContact O-N 3.35Å; E289-L292 PolarHBondContact O-N 3.18Å; E289-K293 WeakPolarHBondContact O-CG 3.3Å; E289-K293 PolarHBondContact O-N 3.48Å; E289-K293 VanDerWaalsContact OE1-CE 3.28Å; E289-K293 WeakPolarHBondContact OE1-CE 3.28Å; E289-K293 IonicContact OE1-NZ 3.94Å; E289-K293 PolarHBondContact OE1-NZ 3.49Å |
| 290 | N | 96.1 | Very high | 94.7 | Very high | 81 Ų | 81 | 62 Ų | 62 | 43% | 0.433 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 175.9 | -71 | -19.1 | 0 | 0 | 0 | 112 | K286 L287 K293 A294 | K286-N290 PolarHBondContact O-N 3.23Å; K286-N290 VanDerWaalsContact O-N 3.1Å; L287-N290 PolarHBondContact O-N 3.26Å; N290-K293 WeakPolarHBondContact O-CB 3.31Å; N290-K293 PolarHBondContact O-N 2.93Å; N290-A294 WeakPolarHBondContact O-CB 3.37Å; N290-A294 PolarHBondContact O-N 3.48Å |
| 291 | H | 95.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 175.6 | 166.5 | 72 | 0 | 0 | 0 | 112 | L287 L288 K293 A294 T295 N485 T487 Y512 | L287-H291 VanDerWaalsContact O-CB 3.31Å; L287-H291 WeakPolarHBondContact O-CB 3.47Å; L287-H291 PolarHBondContact O-N 3.36Å; L288-H291 PolarHBondContact O-N 3.49Å; H291-K293 VanDerWaalsContact C-N 3.32Å; H291-K293 PolarHBondContact O-N 2.89Å; H291-A294 PolarHBondContact O-N 2.87Å; H291-T295 VanDerWaalsContact CE1-CG2 3.47Å; H291-T295 WeakPolarHBondContact CE1-CG2 2.9Å; H291-T295 WeakPolarHBondContact O-CG2 3.12Å; H291-T295 PolarHBondContact O-N 2.75Å; H291-T295 PolarHBondContact O-OG1 2.87Å; H291-N485 PolarHBondContact CE1-O 3.38Å; H291-N485 VanDerWaalsContact CE1-O 3.24Å; H291-N485 PolarHBondContact ND1-OD1 2.91Å; H291-T487 WeakPolarHBondContact NE2-CG2 3.48Å; H291-Y512 HydrophobicContact CB-CD2 3.84Å; H291-Y512 HydrophobicContact CB-CE2 3.98Å; H291-Y512 HydrophobicContact CB-CG 4.14Å; H291-Y512 AromaticContact CD2-CE2 3.83Å; H291-Y512 AromaticContact CD2-CZ 3.86Å; H291-Y512 AromaticContact CE1-CE1 3.71Å; H291-Y512 AromaticContact CE1-CZ 3.5Å; H291-Y512 VanDerWaalsContact CE1-CZ 3.5Å; H291-Y512 PolarHBondContact CE1-OH 2.98Å; H291-Y512 AromaticContact CG-CD2 3.96Å; H291-Y512 AromaticContact CG-CE1 3.97Å; H291-Y512 AromaticContact CG-CE2 3.6Å; H291-Y512 AromaticContact CG-CZ 3.62Å; H291-Y512 AromaticContact ND1-CD1 3.88Å; H291-Y512 AromaticContact ND1-CE1 3.38Å; H291-Y512 WeakPolarHBondContact ND1-CE1 3.19Å; H291-Y512 AromaticContact ND1-CE2 3.88Å; H291-Y512 AromaticContact ND1-CZ 3.4Å; H291-Y512 AromaticContact NE2-CZ 3.8Å; H291-Y512 PolarHBondContact NE2-OH 3.37Å |
| 292 | L | 95.8 | Very high | 95.3 | Very high | 65 Ų | 65 | 56.7 Ų | 56.7 | 34% | 0.34 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 175.8 | -77 | 176.2 | 0 | 0 | 0 | 112.2 | P269 L288 E289 G296 G297 | P269-L292 HydrophobicContact CB-CD2 4.3Å; L288-L292 WeakPolarHBondContact O-CB 3.43Å; L288-L292 WeakPolarHBondContact O-CG 3.49Å; L288-L292 PolarHBondContact O-N 2.98Å; E289-L292 PolarHBondContact O-N 3.18Å; L292-G296 WeakPolarHBondContact O-CA 3.46Å; L292-G296 PolarHBondContact O-N 3.13Å; L292-G297 PolarHBondContact O-N 2.9Å |
| 293 | K | 96.2 | Very high | 95.5 | Very high | 140 Ų | 140 | 50.7 Ų | 50.7 | 61% | 0.609 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.9 | -41.3 | 173.4 | -72.5 | 171.2 | -174.4 | 166.1 | 0 | 111.8 | E289 N290 H291 | E289-K293 WeakPolarHBondContact O-CG 3.3Å; E289-K293 PolarHBondContact O-N 3.48Å; E289-K293 VanDerWaalsContact OE1-CE 3.28Å; E289-K293 WeakPolarHBondContact OE1-CE 3.28Å; E289-K293 IonicContact OE1-NZ 3.94Å; E289-K293 PolarHBondContact OE1-NZ 3.49Å; N290-K293 WeakPolarHBondContact O-CB 3.31Å; N290-K293 PolarHBondContact O-N 2.93Å; H291-K293 VanDerWaalsContact C-N 3.32Å; H291-K293 PolarHBondContact O-N 2.89Å |
| 294 | A | 94.8 | Very high | 95.5 | Very high | 67 Ų | 67 | 48.9 Ų | 48.9 | 55% | 0.554 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -70.3 | -38.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | N290 H291 | N290-A294 WeakPolarHBondContact O-CB 3.37Å; N290-A294 PolarHBondContact O-N 3.48Å; H291-A294 PolarHBondContact O-N 2.87Å |
| 295 | T | 94.9 | Very high | 95.6 | Very high | 18 Ų | 18 | 49 Ų | 49 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -90.4 | -16 | -177.6 | 57.8 | 0 | 0 | 0 | 0 | 113.8 | H291 G297 K298 V300 N485 | H291-T295 VanDerWaalsContact CE1-CG2 3.47Å; H291-T295 WeakPolarHBondContact CE1-CG2 2.9Å; H291-T295 WeakPolarHBondContact O-CG2 3.12Å; H291-T295 PolarHBondContact O-N 2.75Å; H291-T295 PolarHBondContact O-OG1 2.87Å; T295-G297 PolarHBondContact O-N 3.4Å; T295-G297 PolarHBondContact OG1-N 3.03Å; T295-K298 WeakPolarHBondContact O-CB 3.36Å; T295-K298 PolarHBondContact O-N 3.47Å; T295-V300 HydrophobicContact CG2-CG2 3.68Å; T295-N485 HydrophobicContact CG2-CB 3.71Å |
| 296 | G | 94.6 | Very high | 95.3 | Very high | 66 Ų | 66 | 48.7 Ų | 48.7 | 68% | 0.68 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 25.2 | -169 | 0 | 0 | 0 | 0 | 0 | 112.8 | L292 K298 | L292-G296 WeakPolarHBondContact O-CA 3.46Å; L292-G296 PolarHBondContact O-N 3.13Å; G296-K298 VanDerWaalsContact C-N 3.26Å; G296-K298 PolarHBondContact O-N 3.36Å |
| 297 | G | 92.9 | Very high | 94.9 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 39% | 0.392 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74 | 10 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115 | L292 T295 | L292-G297 PolarHBondContact O-N 2.9Å; T295-G297 PolarHBondContact O-N 3.4Å; T295-G297 PolarHBondContact OG1-N 3.03Å |
| 298 | K | 95.5 | Very high | 94.3 | Very high | 114 Ų | 114 | 42.9 Ų | 42.9 | 50% | 0.496 | 25% | 0.247 | S | C | . | . | trans | -77.2 | 151 | 176.7 | -65.7 | -177.8 | -178.6 | 179.7 | 0 | 111.4 | T295 G296 V300 | T295-K298 WeakPolarHBondContact O-CB 3.36Å; T295-K298 PolarHBondContact O-N 3.47Å; G296-K298 VanDerWaalsContact C-N 3.26Å; G296-K298 PolarHBondContact O-N 3.36Å; K298-V300 PolarHBondContact O-N 3.36Å | ||
| 299 | V | 95.8 | Very high | 93.6 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | trans | -65.8 | 131.6 | 167.3 | 170.6 | 0 | 0 | 0 | 0 | 109.2 | P269 T301 Y325 H329 G331 V332 | P269-V299 HydrophobicContact CG-CG2 3.96Å; V299-T301 HydrophobicContact CG1-CG2 4.07Å; V299-Y325 HydrophobicContact CG1-CD1 3.66Å; V299-Y325 HydrophobicContact CG1-CE1 3.52Å; V299-Y325 HydrophobicContact CG2-CE1 4.22Å; V299-H329 HydrophobicContact CB-CB 4.21Å; V299-H329 HydrophobicContact CG2-CB 3.68Å; V299-G331 CarbonylContact O-C 3.59Å; V299-G331 WeakPolarHBondContact O-CA 3.45Å; V299-V332 PolarHBondContact O-N 3.39Å | ||
| 300 | V | 97.9 | Very high | 93.1 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 120.3 | 173.6 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | T295 K298 V332 Y334 N485 T487 H488 | T295-V300 HydrophobicContact CG2-CG2 3.68Å; K298-V300 PolarHBondContact O-N 3.36Å; V300-V332 WeakPolarHBondContact CA-O 3.37Å; V300-V332 HydrophobicContact CB-CG2 4.38Å; V300-V332 HydrophobicContact CG1-CG2 4.23Å; V300-V332 HydrophobicContact CG2-CG2 3.89Å; V300-Y334 HydrophobicContact CG1-CD2 3.84Å; V300-Y334 HydrophobicContact CG1-CE2 3.58Å; V300-N485 WeakPolarHBondContact CB-O 3.48Å; V300-T487 HydrophobicContact CB-CG2 4.15Å; V300-T487 HydrophobicContact CG2-CG2 4.34Å; V300-T487 PolarHBondContact N-OG1 2.68Å; V300-T487 PolarHBondContact O-N 3.08Å; V300-T487 PolarHBondContact O-OG1 3.49Å; V300-H488 PolarHBondContact O-N 2.78Å |
| 301 | T | 97.6 | Very high | 93 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 176.7 | 174.2 | 58.9 | 0 | 0 | 0 | 0 | 110.3 | V299 D322 Y325 A326 V332 C333 Y334 H488 L490 | V299-T301 HydrophobicContact CG1-CG2 4.07Å; T301-D322 WeakPolarHBondContact CB-O 3.32Å; T301-D322 PolarHBondContact OG1-O 3.36Å; T301-Y325 HydrophobicContact CG2-CD1 3.92Å; T301-A326 HydrophobicContact CG2-CB 4.43Å; T301-A326 WeakPolarHBondContact OG1-CB 3.32Å; T301-V332 PolarHBondContact N-O 2.66Å; T301-C333 WeakPolarHBondContact O-CA 3.33Å; T301-C333 VanDerWaalsContact OG1-CB 3.29Å; T301-C333 WeakPolarHBondContact OG1-CB 3.43Å; T301-C333 PolarHBondContact OG1-SG 3.29Å; T301-Y334 PolarHBondContact O-N 2.73Å; T301-H488 HydrophobicContact CG2-CB 4.21Å; T301-L490 HydrophobicContact CG2-CD1 4.26Å |
| 302 | R | 97.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 141.9 | 176.2 | 75.9 | -65.3 | 170.6 | -87.6 | 7.4 | 109.7 | P304 D322 Y334 H477 D481 V486 S489 L490 | R302-P304 HydrophobicContact CG-CB 4.49Å; R302-P304 HydrophobicContact CG-CG 4.29Å; R302-D322 IonicContact NH1-OD1 2.69Å; R302-Y334 CarbonylContact C-O 3.58Å; R302-Y334 WeakPolarHBondContact CA-O 3.4Å; R302-H477 PolarHBondContact NH2-CE1 2.93Å; R302-D481 WeakPolarHBondContact CD-OD1 3.5Å; R302-D481 WeakPolarHBondContact CG-OD1 3.34Å; R302-D481 IonicContact CZ-OD2 2.89Å; R302-D481 IonicContact NE-OD1 3.98Å; R302-D481 PolarHBondContact NE-OD1 3.44Å; R302-D481 IonicContact NE-OD2 3.2Å; R302-D481 PolarHBondContact NE-OD2 3.07Å; R302-D481 IonicContact NH2-OD2 2.77Å; R302-V486 HydrophobicContact CB-CG2 4.41Å; R302-V486 HydrophobicContact CG-CG2 4.42Å; R302-S489 PolarHBondContact NE-OG 2.84Å; R302-S489 PolarHBondContact NH2-OG 3.28Å; R302-L490 VanDerWaalsContact CZ-O 3.29Å; R302-L490 PolarHBondContact NH1-O 2.79Å; R302-L490 PolarHBondContact NH2-O 3.05Å |
| 303 | F | 96.9 | Very high | 92.6 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 111.8 | 161.9 | 177.2 | -124 | 0 | 0 | 0 | 107.3 | P305 L311 H315 A318 I319 D322 F323 Y334 L335 R336 V357 | F303-P305 HydrophobicContact CD1-CG 3.92Å; F303-P305 HydrophobicContact CE1-CB 3.83Å; F303-P305 HydrophobicContact CE1-CG 3.62Å; F303-P305 HydrophobicContact CZ-CB 3.88Å; F303-P305 HydrophobicContact CZ-CG 4.18Å; F303-P305 WeakPolarHBondContact O-CD 3.31Å; F303-L311 HydrophobicContact CE1-CD1 4.43Å; F303-L311 HydrophobicContact CZ-CD2 4.26Å; F303-H315 HydrophobicContact CZ-CB 4.42Å; F303-A318 HydrophobicContact CD2-CB 4.11Å; F303-A318 HydrophobicContact CE2-CB 3.78Å; F303-I319 HydrophobicContact CD1-CD1 4.48Å; F303-I319 HydrophobicContact CD1-CG1 3.79Å; F303-I319 HydrophobicContact CD2-CG1 4.12Å; F303-I319 HydrophobicContact CE1-CD1 3.84Å; F303-I319 HydrophobicContact CE1-CG1 3.53Å; F303-I319 HydrophobicContact CE2-CG1 3.89Å; F303-I319 HydrophobicContact CG-CG1 4.1Å; F303-I319 HydrophobicContact CZ-CD1 3.98Å; F303-I319 HydrophobicContact CZ-CG1 3.59Å; F303-D322 HydrophobicContact CB-CB 4.23Å; F303-F323 HydrophobicContact CB-CD2 4.36Å; F303-F323 HydrophobicContact CB-CE2 3.68Å; F303-F323 HydrophobicContact CB-CZ 4.49Å; F303-F323 HydrophobicContact CD1-CE2 4.34Å; F303-F323 HydrophobicContact CG-CE2 4.31Å; F303-Y334 PolarHBondContact N-O 3.13Å; F303-L335 HydrophobicContact CD1-CD1 3.75Å; F303-L335 HydrophobicContact CE1-CD1 4.43Å; F303-R336 PolarHBondContact O-N 3.26Å; F303-V357 HydrophobicContact CD1-CG2 4.36Å; F303-V357 HydrophobicContact CE1-CG2 4.46Å |
| 304 | P | 95 | Very high | 92.2 | Very high | 25 Ų | 25 | 29 Ų | 29 | 16% | 0.162 | 19% | 0.188 | C | C | . | . | trans | -107.2 | 71.1 | -173.9 | 37.1 | -29.1 | 0 | 0 | 0 | 113.5 | R302 R336 H477 | R302-P304 HydrophobicContact CG-CB 4.49Å; R302-P304 HydrophobicContact CG-CG 4.29Å; P304-R336 CarbonylContact C-O 3.53Å; P304-R336 WeakPolarHBondContact CA-O 3.42Å; P304-H477 WeakPolarHBondContact CG-NE2 3.3Å | ||
| 305 | P | 93.3 | Very high | 92.1 | Very high | 7 Ų | 7 | 28.4 Ų | 28.4 | 5% | 0.045 | 17% | 0.173 | C | C | . | . | trans | -77.3 | 144.4 | -178.8 | 32.3 | -35.3 | 0 | 0 | 0 | 112.4 | F303 L311 L335 R336 Y337 D338 I353 | F303-P305 HydrophobicContact CD1-CG 3.92Å; F303-P305 HydrophobicContact CE1-CB 3.83Å; F303-P305 HydrophobicContact CE1-CG 3.62Å; F303-P305 HydrophobicContact CZ-CB 3.88Å; F303-P305 HydrophobicContact CZ-CG 4.18Å; F303-P305 WeakPolarHBondContact O-CD 3.31Å; P305-L311 HydrophobicContact CB-CD2 4.38Å; P305-L335 HydrophobicContact CG-CD1 3.8Å; P305-R336 WeakPolarHBondContact CD-O 3.37Å; P305-Y337 HydrophobicContact CG-CD1 4.45Å; P305-D338 PolarHBondContact O-N 3.01Å; P305-I353 HydrophobicContact CB-CD1 4.22Å; P305-I353 HydrophobicContact CG-CD1 4.23Å; P305-I353 HydrophobicContact CG-CG2 3.86Å | ||
| 306 | E | 89.9 | Confident | 92 | Very high | 102 Ų | 102 | 27.5 Ų | 27.5 | 48% | 0.477 | 17% | 0.168 | S | C | . | . | trans | -70.5 | 127.3 | 162.8 | -70.1 | -178.5 | -147 | 0 | 0 | 109.5 | N308 D338 | E306-N308 PolarHBondContact O-N 3.23Å; E306-N308 PolarHBondContact OE2-ND2 3.12Å; E306-D338 HydrophobicContact CG-CB 4.24Å | ||
| 307 | P | 87 | Confident | 91.8 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.019 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 29.1 | -179 | 33.5 | -34.5 | 0 | 0 | 0 | 113.1 | Y337 D338 E345 Y349 F350 I353 | P307-Y337 HydrophobicContact CB-CD1 3.85Å; P307-Y337 HydrophobicContact CB-CE1 4.38Å; P307-Y337 HydrophobicContact CG-CD1 4.35Å; P307-D338 WeakPolarHBondContact CD-O 3.38Å; P307-E345 HydrophobicContact CG-CG 4.41Å; P307-E345 WeakPolarHBondContact O-CB 3.35Å; P307-Y349 WeakPolarHBondContact O-CB 3.38Å; P307-Y349 WeakPolarHBondContact O-CD2 3.42Å; P307-F350 HydrophobicContact CB-CD1 3.88Å; P307-F350 HydrophobicContact CB-CD2 4.22Å; P307-F350 HydrophobicContact CB-CE1 3.51Å; P307-F350 HydrophobicContact CB-CE2 3.89Å; P307-F350 HydrophobicContact CB-CG 4.22Å; P307-F350 HydrophobicContact CB-CZ 3.52Å; P307-F350 HydrophobicContact CG-CE1 3.68Å; P307-F350 HydrophobicContact CG-CE2 4.31Å; P307-F350 HydrophobicContact CG-CZ 3.56Å; P307-I353 HydrophobicContact CB-CD1 4.44Å |
| 308 | N | 83.3 | Confident | 91.8 | Very high | 45 Ų | 45 | 23.2 Ų | 23.2 | 24% | 0.241 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -3.7 | -174.5 | 69.9 | 9.4 | 0 | 0 | 0 | 113.9 | E306 E345 K531 | E306-N308 PolarHBondContact O-N 3.23Å; E306-N308 PolarHBondContact OE2-ND2 3.12Å; N308-E345 VanDerWaalsContact CA-OE2 3.25Å; N308-E345 WeakPolarHBondContact CA-OE2 3.48Å; N308-E345 HydrophobicContact CB-CG 4.15Å; N308-E345 WeakPolarHBondContact CB-OE1 3.33Å; N308-E345 WeakPolarHBondContact CB-OE2 3.49Å; N308-K531 WeakPolarHBondContact O-CD 3.26Å; N308-K531 WeakPolarHBondContact O-CE 3.1Å; N308-K531 PolarHBondContact O-NZ 3.34Å |
| 309 | G | 81.6 | Confident | 91.8 | Very high | 14 Ų | 14 | 17.8 Ų | 17.8 | 14% | 0.144 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -147.9 | 171.8 | -167.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 310 | I | 84.7 | Confident | 91.7 | Very high | 42 Ų | 42 | 17.5 Ų | 17.5 | 22% | 0.215 | 10% | 0.097 | C | C | . | . | trans | -96 | 131.4 | 176.8 | -66.7 | 166.9 | 0 | 0 | 0 | 107.8 | Y349 W546 T553 T555 | I310-Y349 HydrophobicContact CG1-CD1 4.21Å; I310-Y349 HydrophobicContact CG1-CE1 4.05Å; I310-W546 HydrophobicContact CD1-CB 3.1Å; I310-W546 HydrophobicContact CD1-CD2 3.62Å; I310-W546 HydrophobicContact CD1-CE3 4Å; I310-W546 HydrophobicContact CD1-CG 3.21Å; I310-W546 HydrophobicContact CG1-CB 4.5Å; I310-T553 HydrophobicContact CG2-CG2 4.08Å; I310-T555 HydrophobicContact CG2-CG2 4.37Å | ||
| 311 | L | 93.4 | Very high | 91.4 | Very high | 8 Ų | 8 | 17.3 Ų | 17.3 | 4% | 0.042 | 10% | 0.096 | C | C | . | . | trans | -63 | 139.7 | 177.8 | -58.1 | -179.9 | 0 | 0 | 0 | 110.2 | F303 P305 H315 I319 I353 T356 T553 L554 | F303-L311 HydrophobicContact CE1-CD1 4.43Å; F303-L311 HydrophobicContact CZ-CD2 4.26Å; P305-L311 HydrophobicContact CB-CD2 4.38Å; L311-H315 HydrophobicContact CB-CB 4.06Å; L311-H315 HydrophobicContact CD2-CB 3.97Å; L311-H315 HydrophobicContact CG-CB 4.49Å; L311-I319 HydrophobicContact CD1-CD1 4.06Å; L311-I353 HydrophobicContact CD1-CB 4.28Å; L311-I353 HydrophobicContact CD1-CG1 3.96Å; L311-I353 HydrophobicContact CD1-CG2 4.22Å; L311-I353 HydrophobicContact CD2-CG1 4.18Å; L311-I353 HydrophobicContact CG-CG1 3.94Å; L311-T356 HydrophobicContact CB-CG2 4.49Å; L311-T356 HydrophobicContact CD1-CG2 3.86Å; L311-T553 CarbonylContact O-C 3.5Å; L311-T553 WeakPolarHBondContact O-CA 3.39Å; L311-L554 HydrophobicContact CB-CD1 3.85Å; L311-L554 HydrophobicContact CB-CG 4.49Å; L311-L554 PolarHBondContact O-N 2.97Å | ||
| 312 | H | 91.7 | Very high | 91.3 | Very high | 24 Ų | 24 | 17.4 Ų | 17.4 | 11% | 0.111 | 10% | 0.096 | C | C | . | . | B | Isolated β-bridge | trans | -117.6 | 173.2 | 177.2 | 61.5 | 58.1 | 0 | 0 | 0 | 111.3 | G314 H315 A316 V529 | H312-G314 WeakPolarHBondContact ND1-CA 3.41Å; H312-G314 PolarHBondContact ND1-N 3.44Å; H312-G314 PolarHBondContact O-N 2.99Å; H312-H315 AromaticContact CD2-CE1 3.51Å; H312-H315 AromaticContact CD2-ND1 3.43Å; H312-H315 PolarHBondContact CD2-ND1 3.27Å; H312-H315 AromaticContact CE1-CE1 3.59Å; H312-H315 AromaticContact CE1-ND1 3.26Å; H312-H315 PolarHBondContact CE1-ND1 3.47Å; H312-H315 VanDerWaalsContact CE1-ND1 3.26Å; H312-H315 AromaticContact CG-ND1 3.43Å; H312-H315 PolarHBondContact N-ND1 2.67Å; H312-H315 AromaticContact ND1-ND1 3.31Å; H312-H315 PolarHBondContact ND1-ND1 2.87Å; H312-H315 AromaticContact NE2-CE1 3.24Å; H312-H315 PolarHBondContact NE2-CE1 3.03Å; H312-H315 AromaticContact NE2-ND1 3.34Å; H312-H315 PolarHBondContact NE2-ND1 3.13Å; H312-H315 WeakPolarHBondContact O-CA 3.38Å; H312-H315 VanDerWaalsContact O-CB 3.28Å; H312-H315 WeakPolarHBondContact O-CB 3.27Å; H312-H315 PolarHBondContact O-N 3.18Å; H312-A316 PolarHBondContact O-N 3.18Å; H312-V529 HydrophobicContact CB-CB 4.41Å; H312-V529 HydrophobicContact CB-CG1 4.3Å |
| 313 | I | 90.5 | Very high | 91.2 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -50.6 | -37.2 | -178 | -167.4 | 54.7 | 0 | 0 | 0 | 114 | H315 A316 K317 L522 I524 F552 L554 L557 V567 F570 L589 | I313-H315 VanDerWaalsContact C-N 3.3Å; I313-H315 PolarHBondContact O-N 3.38Å; I313-A316 HydrophobicContact CD1-CB 4.11Å; I313-A316 WeakPolarHBondContact O-CA 3.24Å; I313-A316 WeakPolarHBondContact O-CB 3.33Å; I313-A316 PolarHBondContact O-N 3.01Å; I313-K317 PolarHBondContact O-N 3.31Å; I313-L522 HydrophobicContact CG1-CD2 4.1Å; I313-I524 HydrophobicContact CB-CD1 4.16Å; I313-I524 HydrophobicContact CG1-CD1 3.79Å; I313-I524 HydrophobicContact CG2-CD1 3.47Å; I313-I524 VanDerWaalsContact CG2-CD1 3.47Å; I313-I524 HydrophobicContact CG2-CG1 3.82Å; I313-F552 HydrophobicContact CG2-CB 4.16Å; I313-F552 PolarHBondContact N-O 3.46Å; I313-L554 HydrophobicContact CD1-CD2 4.39Å; I313-L557 HydrophobicContact CB-CD1 4.3Å; I313-L557 HydrophobicContact CD1-CD1 3.91Å; I313-L557 HydrophobicContact CG1-CD1 4.42Å; I313-V567 HydrophobicContact CD1-CG1 3.82Å; I313-F570 HydrophobicContact CG1-CE1 4.36Å; I313-L589 HydrophobicContact CD1-CD2 4.22Å; I313-L589 HydrophobicContact CG1-CD2 4.4Å |
| 314 | G | 89 | Confident | 91 | Very high | 13 Ų | 13 | 17.4 Ų | 17.4 | 13% | 0.134 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.6 | -34.5 | 171 | 0 | 0 | 0 | 0 | 0 | 115.4 | H312 A316 K317 A318 | H312-G314 WeakPolarHBondContact ND1-CA 3.41Å; H312-G314 PolarHBondContact ND1-N 3.44Å; H312-G314 PolarHBondContact O-N 2.99Å; G314-A316 VanDerWaalsContact C-N 3.31Å; G314-K317 WeakPolarHBondContact O-CB 3.31Å; G314-K317 PolarHBondContact O-N 3.48Å; G314-A318 PolarHBondContact O-N 3.12Å |
| 315 | H | 92.4 | Very high | 90.9 | Very high | 55 Ų | 55 | 16.6 Ų | 16.6 | 26% | 0.255 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -70.6 | -28.4 | 172.5 | -65.2 | 90.7 | 0 | 0 | 0 | 111.9 | F303 L311 H312 I313 K317 A318 I319 | F303-H315 HydrophobicContact CZ-CB 4.42Å; L311-H315 HydrophobicContact CB-CB 4.06Å; L311-H315 HydrophobicContact CD2-CB 3.97Å; L311-H315 HydrophobicContact CG-CB 4.49Å; H312-H315 AromaticContact CD2-CE1 3.51Å; H312-H315 AromaticContact CD2-ND1 3.43Å; H312-H315 PolarHBondContact CD2-ND1 3.27Å; H312-H315 AromaticContact CE1-CE1 3.59Å; H312-H315 AromaticContact CE1-ND1 3.26Å; H312-H315 PolarHBondContact CE1-ND1 3.47Å; H312-H315 VanDerWaalsContact CE1-ND1 3.26Å; H312-H315 AromaticContact CG-ND1 3.43Å; H312-H315 PolarHBondContact N-ND1 2.67Å; H312-H315 AromaticContact ND1-ND1 3.31Å; H312-H315 PolarHBondContact ND1-ND1 2.87Å; H312-H315 AromaticContact NE2-CE1 3.24Å; H312-H315 PolarHBondContact NE2-CE1 3.03Å; H312-H315 AromaticContact NE2-ND1 3.34Å; H312-H315 PolarHBondContact NE2-ND1 3.13Å; H312-H315 WeakPolarHBondContact O-CA 3.38Å; H312-H315 VanDerWaalsContact O-CB 3.28Å; H312-H315 WeakPolarHBondContact O-CB 3.27Å; H312-H315 PolarHBondContact O-N 3.18Å; I313-H315 VanDerWaalsContact C-N 3.3Å; I313-H315 PolarHBondContact O-N 3.38Å; H315-K317 PolarHBondContact O-N 3.44Å; H315-A318 PolarHBondContact O-N 3.14Å; H315-A318 VanDerWaalsContact O-N 3.14Å; H315-I319 VanDerWaalsContact O-CG1 3.31Å; H315-I319 WeakPolarHBondContact O-CG1 3.41Å; H315-I319 PolarHBondContact O-N 2.93Å |
| 316 | A | 92.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.6 | -34.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | H312 I313 G314 N320 L360 L554 V567 | H312-A316 PolarHBondContact O-N 3.18Å; I313-A316 HydrophobicContact CD1-CB 4.11Å; I313-A316 WeakPolarHBondContact O-CA 3.24Å; I313-A316 WeakPolarHBondContact O-CB 3.33Å; I313-A316 PolarHBondContact O-N 3.01Å; G314-A316 VanDerWaalsContact C-N 3.31Å; A316-N320 VanDerWaalsContact O-CB 3.3Å; A316-N320 WeakPolarHBondContact O-CB 3.49Å; A316-N320 PolarHBondContact O-N 2.81Å; A316-N320 PolarHBondContact O-ND2 2.93Å; A316-L360 HydrophobicContact CB-CD1 4.21Å; A316-L554 HydrophobicContact CB-CD1 4.11Å; A316-L554 HydrophobicContact CB-CD2 3.8Å; A316-V567 HydrophobicContact CB-CG1 3.79Å |
| 317 | K | 90.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 17 Ų | 17 | 0% | 0.004 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.3 | -50.2 | 173 | -179 | 170.9 | -177 | -179.5 | 0 | 111.5 | I313 G314 H315 N320 I321 F519 G520 L522 V571 M575 | I313-K317 PolarHBondContact O-N 3.31Å; G314-K317 WeakPolarHBondContact O-CB 3.31Å; G314-K317 PolarHBondContact O-N 3.48Å; H315-K317 PolarHBondContact O-N 3.44Å; K317-N320 PolarHBondContact O-N 3.31Å; K317-I321 HydrophobicContact CD-CD1 4.33Å; K317-I321 HydrophobicContact CG-CD1 3.69Å; K317-I321 HydrophobicContact CG-CG1 4.42Å; K317-I321 WeakPolarHBondContact O-CB 3.39Å; K317-I321 VanDerWaalsContact O-CG1 3.27Å; K317-I321 WeakPolarHBondContact O-CG1 3.47Å; K317-I321 PolarHBondContact O-N 3.48Å; K317-F519 HydrophobicContact CD-CD2 4.26Å; K317-F519 HydrophobicContact CG-CD2 4.35Å; K317-F519 HydrophobicContact CG-CE2 4.31Å; K317-G520 WeakPolarHBondContact CE-O 3.44Å; K317-G520 PolarHBondContact NZ-O 3.12Å; K317-L522 HydrophobicContact CB-CB 4.24Å; K317-L522 HydrophobicContact CB-CD2 4.1Å; K317-L522 HydrophobicContact CD-CB 3.94Å; K317-V571 HydrophobicContact CB-CG1 4.17Å; K317-V571 HydrophobicContact CB-CG2 4.37Å; K317-V571 HydrophobicContact CG-CG1 4.05Å; K317-M575 HydrophobicContact CD-CB 4.18Å; K317-M575 HydrophobicContact CD-CE 4.33Å |
| 318 | A | 92.2 | Very high | 91.2 | Very high | 13 Ų | 13 | 18.3 Ų | 18.3 | 11% | 0.107 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.2 | -49 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F303 G314 H315 N320 I321 D322 F519 | F303-A318 HydrophobicContact CD2-CB 4.11Å; F303-A318 HydrophobicContact CE2-CB 3.78Å; G314-A318 PolarHBondContact O-N 3.12Å; H315-A318 PolarHBondContact O-N 3.14Å; H315-A318 VanDerWaalsContact O-N 3.14Å; A318-N320 PolarHBondContact O-N 3.41Å; A318-I321 PolarHBondContact O-N 2.82Å; A318-I321 VanDerWaalsContact O-N 3.07Å; A318-D322 WeakPolarHBondContact O-CB 3.47Å; A318-D322 PolarHBondContact O-N 3.2Å; A318-D322 VanDerWaalsContact O-OD2 3.13Å; A318-F519 HydrophobicContact CB-CE2 4.4Å; A318-F519 HydrophobicContact CB-CZ 3.94Å |
| 319 | I | 95 | Very high | 91.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.7 | -49.7 | 177.5 | -67.9 | 165.8 | 0 | 0 | 0 | 111.1 | F303 L311 H315 I321 D322 F323 V357 L360 Y362 | F303-I319 HydrophobicContact CD1-CD1 4.48Å; F303-I319 HydrophobicContact CD1-CG1 3.79Å; F303-I319 HydrophobicContact CD2-CG1 4.12Å; F303-I319 HydrophobicContact CE1-CD1 3.84Å; F303-I319 HydrophobicContact CE1-CG1 3.53Å; F303-I319 HydrophobicContact CE2-CG1 3.89Å; F303-I319 HydrophobicContact CG-CG1 4.1Å; F303-I319 HydrophobicContact CZ-CD1 3.98Å; F303-I319 HydrophobicContact CZ-CG1 3.59Å; L311-I319 HydrophobicContact CD1-CD1 4.06Å; H315-I319 VanDerWaalsContact O-CG1 3.31Å; H315-I319 WeakPolarHBondContact O-CG1 3.41Å; H315-I319 PolarHBondContact O-N 2.93Å; I319-I321 VanDerWaalsContact C-N 3.27Å; I319-I321 PolarHBondContact O-N 2.91Å; I319-D322 PolarHBondContact O-N 2.94Å; I319-F323 HydrophobicContact CB-CD2 4.49Å; I319-F323 HydrophobicContact CG2-CD2 3.81Å; I319-F323 HydrophobicContact CG2-CE2 4.29Å; I319-F323 VanDerWaalsContact O-CB 3.32Å; I319-F323 WeakPolarHBondContact O-CB 3.38Å; I319-F323 WeakPolarHBondContact O-CD2 3.39Å; I319-F323 PolarHBondContact O-N 3.13Å; I319-V357 HydrophobicContact CD1-CG2 4Å; I319-V357 HydrophobicContact CG1-CG2 4.33Å; I319-L360 HydrophobicContact CB-CD1 4.28Å; I319-L360 HydrophobicContact CD1-CD1 3.97Å; I319-L360 HydrophobicContact CG2-CD1 3.96Å; I319-Y362 HydrophobicContact CG2-CD2 3.63Å; I319-Y362 HydrophobicContact CG2-CE2 4.02Å |
| 320 | N | 93.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.1 | -36.2 | 178.2 | -89 | -82.9 | 0 | 0 | 0 | 112.2 | I256 A316 K317 A318 G324 Y362 N568 V571 | I256-N320 HydrophobicContact CD1-CB 4.04Å; I256-N320 HydrophobicContact CG1-CB 4.05Å; I256-N320 VanDerWaalsContact CG1-O 3.27Å; I256-N320 WeakPolarHBondContact CG1-O 3.48Å; A316-N320 VanDerWaalsContact O-CB 3.3Å; A316-N320 WeakPolarHBondContact O-CB 3.49Å; A316-N320 PolarHBondContact O-N 2.81Å; A316-N320 PolarHBondContact O-ND2 2.93Å; K317-N320 PolarHBondContact O-N 3.31Å; A318-N320 PolarHBondContact O-N 3.41Å; N320-G324 WeakPolarHBondContact O-CA 3.29Å; N320-G324 PolarHBondContact O-N 3.44Å; N320-Y362 PolarHBondContact OD1-OH 3.41Å; N320-N568 PolarHBondContact ND2-OD1 3.43Å; N320-N568 VanDerWaalsContact OD1-CG 3.3Å; N320-N568 PolarHBondContact OD1-OD1 2.72Å; N320-N568 VanDerWaalsContact OD1-OD1 3.07Å; N320-V571 HydrophobicContact CB-CB 4.42Å; N320-V571 HydrophobicContact CB-CG1 3.82Å |
| 321 | I | 92.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.7 | -51.8 | 178.7 | -71.3 | 173 | 0 | 0 | 0 | 111.1 | M260 K317 A318 I319 Y325 L490 F519 L577 | M260-I321 HydrophobicContact CE-CB 3.97Å; M260-I321 HydrophobicContact CE-CG1 3.78Å; M260-I321 HydrophobicContact CE-CG2 4.07Å; K317-I321 HydrophobicContact CD-CD1 4.33Å; K317-I321 HydrophobicContact CG-CD1 3.69Å; K317-I321 HydrophobicContact CG-CG1 4.42Å; K317-I321 WeakPolarHBondContact O-CB 3.39Å; K317-I321 VanDerWaalsContact O-CG1 3.27Å; K317-I321 WeakPolarHBondContact O-CG1 3.47Å; K317-I321 PolarHBondContact O-N 3.48Å; A318-I321 PolarHBondContact O-N 2.82Å; A318-I321 VanDerWaalsContact O-N 3.07Å; I319-I321 VanDerWaalsContact C-N 3.27Å; I319-I321 PolarHBondContact O-N 2.91Å; I321-Y325 WeakPolarHBondContact O-CB 3.38Å; I321-Y325 PolarHBondContact O-N 3.3Å; I321-L490 HydrophobicContact CG2-CB 4.17Å; I321-L490 HydrophobicContact CG2-CD1 3.49Å; I321-L490 VanDerWaalsContact CG2-CD1 3.49Å; I321-L490 HydrophobicContact CG2-CG 4.38Å; I321-F519 HydrophobicContact CB-CE1 4.32Å; I321-F519 HydrophobicContact CD1-CB 3.95Å; I321-F519 HydrophobicContact CD1-CD1 3.7Å; I321-F519 HydrophobicContact CD1-CD2 3.62Å; I321-F519 HydrophobicContact CD1-CE1 4.05Å; I321-F519 HydrophobicContact CD1-CE2 3.96Å; I321-F519 HydrophobicContact CD1-CG 3.47Å; I321-F519 VanDerWaalsContact CD1-CG 3.47Å; I321-F519 HydrophobicContact CD1-CZ 4.18Å; I321-F519 HydrophobicContact CG2-CD1 3.9Å; I321-F519 HydrophobicContact CG2-CE1 3.85Å; I321-L577 HydrophobicContact CD1-CD2 4.29Å; I321-L577 HydrophobicContact CG1-CD2 4.33Å; I321-L577 HydrophobicContact CG2-CD2 4.37Å |
| 322 | D | 94.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.011 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.2 | -53.6 | -177.4 | -70.4 | -45.5 | 0 | 0 | 0 | 112.1 | T301 R302 F303 A318 I319 A326 L490 | T301-D322 WeakPolarHBondContact CB-O 3.32Å; T301-D322 PolarHBondContact OG1-O 3.36Å; R302-D322 IonicContact NH1-OD1 2.69Å; F303-D322 HydrophobicContact CB-CB 4.23Å; A318-D322 WeakPolarHBondContact O-CB 3.47Å; A318-D322 PolarHBondContact O-N 3.2Å; A318-D322 VanDerWaalsContact O-OD2 3.13Å; I319-D322 PolarHBondContact O-N 2.94Å; D322-A326 PolarHBondContact O-N 3.37Å; D322-L490 WeakPolarHBondContact OD1-CB 3.42Å |
| 323 | F | 95.7 | Very high | 93.1 | Very high | 7 Ų | 7 | 21.3 Ų | 21.3 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -77.9 | -40.2 | -178.3 | -73.3 | -92.2 | 0 | 0 | 0 | 112.5 | F303 I319 Y325 A326 K327 C333 V357 Y362 P364 | F303-F323 HydrophobicContact CB-CD2 4.36Å; F303-F323 HydrophobicContact CB-CE2 3.68Å; F303-F323 HydrophobicContact CB-CZ 4.49Å; F303-F323 HydrophobicContact CD1-CE2 4.34Å; F303-F323 HydrophobicContact CG-CE2 4.31Å; I319-F323 HydrophobicContact CB-CD2 4.49Å; I319-F323 HydrophobicContact CG2-CD2 3.81Å; I319-F323 HydrophobicContact CG2-CE2 4.29Å; I319-F323 VanDerWaalsContact O-CB 3.32Å; I319-F323 WeakPolarHBondContact O-CB 3.38Å; I319-F323 WeakPolarHBondContact O-CD2 3.39Å; I319-F323 PolarHBondContact O-N 3.13Å; F323-Y325 VanDerWaalsContact C-N 3.35Å; F323-Y325 PolarHBondContact O-N 3.13Å; F323-A326 PolarHBondContact O-N 3.39Å; F323-K327 VanDerWaalsContact O-CB 3.29Å; F323-K327 WeakPolarHBondContact O-CB 3.38Å; F323-K327 PolarHBondContact O-N 2.94Å; F323-C333 HydrophobicContact CD1-CB 3.57Å; F323-C333 HydrophobicContact CE1-CB 3.81Å; F323-C333 HydrophobicContact CG-CB 4.03Å; F323-C333 HydrophobicContact CZ-CB 4.43Å; F323-V357 HydrophobicContact CD2-CG1 4.49Å; F323-V357 HydrophobicContact CE1-CG1 4.03Å; F323-V357 HydrophobicContact CE2-CG1 3.84Å; F323-V357 HydrophobicContact CE2-CG2 4.39Å; F323-V357 HydrophobicContact CZ-CG1 3.58Å; F323-Y362 HydrophobicContact CB-CD1 3.3Å; F323-Y362 HydrophobicContact CB-CD2 4.1Å; F323-Y362 HydrophobicContact CB-CE1 3.69Å; F323-Y362 HydrophobicContact CB-CE2 4.45Å; F323-Y362 HydrophobicContact CB-CG 3.49Å; F323-Y362 VanDerWaalsContact CB-CG 3.49Å; F323-Y362 HydrophobicContact CD1-CD1 4.46Å; F323-Y362 HydrophobicContact CD1-CG 4.27Å; F323-Y362 HydrophobicContact CG-CD1 4.13Å; F323-Y362 AromaticContact CG-CG 3.9Å; F323-Y362 HydrophobicContact CG-CG 3.9Å; F323-P364 HydrophobicContact CE1-CB 4.36Å; F323-P364 HydrophobicContact CZ-CB 4.47Å |
| 324 | G | 92.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.2 | -39.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | N320 K327 A328 | N320-G324 WeakPolarHBondContact O-CA 3.29Å; N320-G324 PolarHBondContact O-N 3.44Å; G324-K327 PolarHBondContact O-N 3.06Å; G324-A328 VanDerWaalsContact O-CB 3.24Å; G324-A328 WeakPolarHBondContact O-CB 3.44Å; G324-A328 PolarHBondContact O-N 3.1Å |
| 325 | Y | 92.2 | Very high | 93.9 | Very high | 8 Ų | 8 | 22.2 Ų | 22.2 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.2 | -48.5 | 175.2 | -175 | -107.8 | 0 | 0 | 0 | 111.9 | M260 A264 F266 V299 T301 I321 F323 K327 A328 H329 H488 | M260-Y325 HydrophobicContact CB-CD2 4.02Å; M260-Y325 HydrophobicContact CG-CD2 4.21Å; M260-Y325 HydrophobicContact SD-CD2 3.81Å; M260-Y325 HydrophobicContact SD-CG 4.29Å; A264-Y325 HydrophobicContact CB-CD2 4.23Å; A264-Y325 HydrophobicContact CB-CE2 3.95Å; F266-Y325 HydrophobicContact CD2-CD1 4.46Å; F266-Y325 AromaticContact CD2-CD2 3.99Å; F266-Y325 HydrophobicContact CD2-CD2 3.99Å; F266-Y325 HydrophobicContact CD2-CE1 4.03Å; F266-Y325 AromaticContact CD2-CE2 3.55Å; F266-Y325 HydrophobicContact CD2-CE2 3.55Å; F266-Y325 HydrophobicContact CD2-CG 4.45Å; F266-Y325 AromaticContact CD2-CZ 3.57Å; F266-Y325 HydrophobicContact CE2-CD2 4.19Å; F266-Y325 HydrophobicContact CE2-CE2 4.19Å; F266-Y325 HydrophobicContact CG-CE2 4.49Å; V299-Y325 HydrophobicContact CG1-CD1 3.66Å; V299-Y325 HydrophobicContact CG1-CE1 3.52Å; V299-Y325 HydrophobicContact CG2-CE1 4.22Å; T301-Y325 HydrophobicContact CG2-CD1 3.92Å; I321-Y325 WeakPolarHBondContact O-CB 3.38Å; I321-Y325 PolarHBondContact O-N 3.3Å; F323-Y325 VanDerWaalsContact C-N 3.35Å; F323-Y325 PolarHBondContact O-N 3.13Å; Y325-K327 VanDerWaalsContact C-N 3.35Å; Y325-K327 PolarHBondContact O-N 3.3Å; Y325-A328 PolarHBondContact O-N 2.89Å; Y325-H329 AromaticContact CD2-CD2 3.65Å; Y325-H329 AromaticContact CD2-NE2 3.86Å; Y325-H329 AromaticContact CE2-CD2 3.36Å; Y325-H329 WeakPolarHBondContact CE2-CD2 3.49Å; Y325-H329 AromaticContact CE2-NE2 3.32Å; Y325-H329 VanDerWaalsContact CE2-NE2 3.32Å; Y325-H329 WeakPolarHBondContact CE2-NE2 3.39Å; Y325-H329 AromaticContact CZ-CD2 3.81Å; Y325-H329 PolarHBondContact O-CD2 3.36Å; Y325-H329 PolarHBondContact O-N 3.29Å; Y325-H488 HydrophobicContact CE1-CB 4.28Å; Y325-H488 AromaticContact CE1-CD2 3.58Å; Y325-H488 AromaticContact CE1-CE1 3.74Å; Y325-H488 AromaticContact CE1-CG 3.63Å; Y325-H488 AromaticContact CE1-ND1 3.69Å; Y325-H488 AromaticContact CE1-NE2 3.64Å; Y325-H488 AromaticContact CZ-CD2 3.93Å; Y325-H488 AromaticContact CZ-NE2 3.7Å; Y325-H488 PolarHBondContact OH-NE2 3.43Å |
| 326 | A | 94.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 2% | 0.017 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.8 | -48.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T301 D322 F323 A328 H329 G330 G331 C333 | T301-A326 HydrophobicContact CG2-CB 4.43Å; T301-A326 WeakPolarHBondContact OG1-CB 3.32Å; D322-A326 PolarHBondContact O-N 3.37Å; F323-A326 PolarHBondContact O-N 3.39Å; A326-A328 PolarHBondContact O-N 3.41Å; A326-H329 CarbonylContact O-C 3.59Å; A326-H329 PolarHBondContact O-N 3.05Å; A326-G330 PolarHBondContact O-N 3.19Å; A326-G331 WeakPolarHBondContact O-CA 3.41Å; A326-G331 PolarHBondContact O-N 2.98Å; A326-C333 HydrophobicContact CB-CB 4.04Å |
| 327 | K | 93.2 | Very high | 94.2 | Very high | 117 Ų | 117 | 19.9 Ų | 19.9 | 51% | 0.509 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -62.2 | -42.6 | -179.9 | -172.1 | -178.1 | 174.8 | -159 | 0 | 112.5 | E257 F323 G324 Y325 H329 G330 | E257-K327 HydrophobicContact CG-CD 4.42Å; E257-K327 WeakPolarHBondContact OE1-CD 3.42Å; E257-K327 WeakPolarHBondContact OE1-CE 3.44Å; E257-K327 IonicContact OE1-NZ 3.98Å; E257-K327 PolarHBondContact OE1-NZ 3.03Å; F323-K327 VanDerWaalsContact O-CB 3.29Å; F323-K327 WeakPolarHBondContact O-CB 3.38Å; F323-K327 PolarHBondContact O-N 2.94Å; G324-K327 PolarHBondContact O-N 3.06Å; Y325-K327 VanDerWaalsContact C-N 3.35Å; Y325-K327 PolarHBondContact O-N 3.3Å; K327-H329 PolarHBondContact O-N 3.1Å; K327-G330 PolarHBondContact O-N 3.31Å |
| 328 | A | 90.6 | Very high | 94.3 | Very high | 30 Ų | 30 | 20.3 Ų | 20.3 | 25% | 0.248 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.6 | -28.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E257 M260 G324 Y325 A326 | E257-A328 HydrophobicContact CB-CB 3.98Å; E257-A328 HydrophobicContact CG-CB 4.36Å; M260-A328 HydrophobicContact CB-CB 3.88Å; G324-A328 VanDerWaalsContact O-CB 3.24Å; G324-A328 WeakPolarHBondContact O-CB 3.44Å; G324-A328 PolarHBondContact O-N 3.1Å; Y325-A328 PolarHBondContact O-N 2.89Å; A326-A328 PolarHBondContact O-N 3.41Å |
| 329 | H | 91.5 | Very high | 94.3 | Very high | 83 Ų | 83 | 19.9 Ų | 19.9 | 38% | 0.384 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 15.6 | -178 | -67.9 | -83.3 | 0 | 0 | 0 | 113.6 | V299 Y325 A326 K327 G331 | V299-H329 HydrophobicContact CB-CB 4.21Å; V299-H329 HydrophobicContact CG2-CB 3.68Å; Y325-H329 AromaticContact CD2-CD2 3.65Å; Y325-H329 AromaticContact CD2-NE2 3.86Å; Y325-H329 AromaticContact CE2-CD2 3.36Å; Y325-H329 WeakPolarHBondContact CE2-CD2 3.49Å; Y325-H329 AromaticContact CE2-NE2 3.32Å; Y325-H329 VanDerWaalsContact CE2-NE2 3.32Å; Y325-H329 WeakPolarHBondContact CE2-NE2 3.39Å; Y325-H329 AromaticContact CZ-CD2 3.81Å; Y325-H329 PolarHBondContact O-CD2 3.36Å; Y325-H329 PolarHBondContact O-N 3.29Å; A326-H329 CarbonylContact O-C 3.59Å; A326-H329 PolarHBondContact O-N 3.05Å; K327-H329 PolarHBondContact O-N 3.1Å; H329-G331 PolarHBondContact O-N 3.2Å |
| 330 | G | 91.8 | Very high | 94.1 | Very high | 57 Ų | 57 | 20.4 Ų | 20.4 | 59% | 0.588 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 22.6 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | A326 K327 | A326-G330 PolarHBondContact O-N 3.19Å; K327-G330 PolarHBondContact O-N 3.31Å |
| 331 | G | 95.4 | Very high | 94 | Very high | 17 Ų | 17 | 22.5 Ų | 22.5 | 18% | 0.175 | 13% | 0.132 | C | C | . | . | trans | -89.6 | -166.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V299 A326 H329 | V299-G331 CarbonylContact O-C 3.59Å; V299-G331 WeakPolarHBondContact O-CA 3.45Å; A326-G331 WeakPolarHBondContact O-CA 3.41Å; A326-G331 PolarHBondContact O-N 2.98Å; H329-G331 PolarHBondContact O-N 3.2Å | ||
| 332 | V | 97.2 | Very high | 93.7 | Very high | 33 Ų | 33 | 22.4 Ų | 22.4 | 20% | 0.2 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 147.4 | -179.1 | -65.7 | 0 | 0 | 0 | 0 | 111 | V299 V300 T301 F365 | V299-V332 PolarHBondContact O-N 3.39Å; V300-V332 WeakPolarHBondContact CA-O 3.37Å; V300-V332 HydrophobicContact CB-CG2 4.38Å; V300-V332 HydrophobicContact CG1-CG2 4.23Å; V300-V332 HydrophobicContact CG2-CG2 3.89Å; T301-V332 PolarHBondContact N-O 2.66Å; V332-F365 HydrophobicContact CB-CB 3.7Å; V332-F365 HydrophobicContact CB-CD1 3.98Å; V332-F365 HydrophobicContact CB-CD2 4.07Å; V332-F365 HydrophobicContact CB-CG 3.64Å; V332-F365 HydrophobicContact CG1-CB 4.12Å; V332-F365 HydrophobicContact CG1-CD1 4.4Å; V332-F365 HydrophobicContact CG1-CD2 3.66Å; V332-F365 HydrophobicContact CG1-CE2 4.16Å; V332-F365 HydrophobicContact CG1-CG 3.8Å; V332-F365 HydrophobicContact CG2-CD1 4.08Å; V332-F365 HydrophobicContact CG2-CE1 4.44Å; V332-F365 HydrophobicContact CG2-CG 4.25Å |
| 333 | C | 98.1 | Very high | 93.1 | Very high | 6 Ų | 6 | 26.7 Ų | 26.7 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.9 | 176.1 | -174.5 | 0 | 0 | 0 | 0 | 110.2 | T301 F323 A326 F365 | T301-C333 WeakPolarHBondContact O-CA 3.33Å; T301-C333 VanDerWaalsContact OG1-CB 3.29Å; T301-C333 WeakPolarHBondContact OG1-CB 3.43Å; T301-C333 PolarHBondContact OG1-SG 3.29Å; F323-C333 HydrophobicContact CD1-CB 3.57Å; F323-C333 HydrophobicContact CE1-CB 3.81Å; F323-C333 HydrophobicContact CG-CB 4.03Å; F323-C333 HydrophobicContact CZ-CB 4.43Å; A326-C333 HydrophobicContact CB-CB 4.04Å; C333-F365 WeakPolarHBondContact O-CB 3.32Å; C333-F365 PolarHBondContact O-N 2.8Å |
| 334 | Y | 98.1 | Very high | 91.8 | Very high | 34 Ų | 34 | 34.9 Ų | 34.9 | 13% | 0.133 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 145.4 | 171 | -74.2 | -100.7 | 0 | 0 | 0 | 110.6 | V300 T301 R302 F303 F365 K366 T368 E484 | V300-Y334 HydrophobicContact CG1-CD2 3.84Å; V300-Y334 HydrophobicContact CG1-CE2 3.58Å; T301-Y334 PolarHBondContact O-N 2.73Å; R302-Y334 CarbonylContact C-O 3.58Å; R302-Y334 WeakPolarHBondContact CA-O 3.4Å; F303-Y334 PolarHBondContact N-O 3.13Å; Y334-F365 HydrophobicContact CE1-CD1 4.34Å; Y334-F365 HydrophobicContact CE1-CE1 4.48Å; Y334-F365 HydrophobicContact CE2-CD1 4.05Å; Y334-F365 HydrophobicContact CE2-CE1 4.31Å; Y334-F365 AromaticContact CZ-CD1 3.95Å; Y334-F365 AromaticContact CZ-CE1 3.92Å; Y334-K366 HydrophobicContact CD1-CB 4.02Å; Y334-K366 HydrophobicContact CE1-CB 3.91Å; Y334-K366 HydrophobicContact CE1-CD 4.21Å; Y334-K366 HydrophobicContact CE1-CG 4.49Å; Y334-T368 HydrophobicContact CD1-CG2 3.92Å; Y334-T368 HydrophobicContact CE1-CG2 4.13Å; Y334-E484 HydrophobicContact CD1-CG 4.45Å; Y334-E484 HydrophobicContact CE1-CG 4.28Å; Y334-E484 HydrophobicContact CE2-CB 4.44Å |
| 335 | L | 97.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 101 | 159.9 | 172.3 | 62.1 | 0 | 0 | 0 | 106.7 | F303 P305 I353 I354 P364 K366 I367 T368 | F303-L335 HydrophobicContact CD1-CD1 3.75Å; F303-L335 HydrophobicContact CE1-CD1 4.43Å; P305-L335 HydrophobicContact CG-CD1 3.8Å; L335-I353 HydrophobicContact CD1-CG2 3.97Å; L335-I353 HydrophobicContact CD2-CG2 4.32Å; L335-I354 HydrophobicContact CD2-CG1 3.67Å; L335-P364 HydrophobicContact CB-CB 3.68Å; L335-P364 HydrophobicContact CB-CG 4.41Å; L335-P364 HydrophobicContact CD2-CG 4.44Å; L335-K366 PolarHBondContact N-O 3.26Å; L335-I367 HydrophobicContact CB-CG1 4.42Å; L335-I367 HydrophobicContact CD2-CG1 4.33Å; L335-I367 WeakPolarHBondContact O-CA 3.1Å; L335-T368 PolarHBondContact O-N 2.9Å |
| 336 | R | 97.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 111 | -176.9 | -175 | 174.2 | 65.9 | -129.4 | 2.7 | 110.1 | F303 P304 P305 D338 T368 H477 D481 E484 | F303-R336 PolarHBondContact O-N 3.26Å; P304-R336 CarbonylContact C-O 3.53Å; P304-R336 WeakPolarHBondContact CA-O 3.42Å; P305-R336 WeakPolarHBondContact CD-O 3.37Å; R336-D338 PolarHBondContact O-N 3.41Å; R336-T368 CarbonylContact C-O 3.45Å; R336-T368 VanDerWaalsContact CA-O 3.3Å; R336-T368 WeakPolarHBondContact CA-O 3.47Å; R336-T368 WeakPolarHBondContact CB-OG1 3.36Å; R336-T368 WeakPolarHBondContact CG-OG1 3.25Å; R336-H477 PolarHBondContact NH2-CD2 3.06Å; R336-H477 PolarHBondContact NH2-NE2 3.07Å; R336-D481 IonicContact CZ-OD1 2.63Å; R336-D481 IonicContact NH1-OD1 3.55Å; R336-D481 PolarHBondContact NH1-OD1 3.27Å; R336-D481 IonicContact NH2-OD1 3.78Å; R336-D481 PolarHBondContact NH2-OD1 2.96Å; R336-E484 IonicContact CZ-OE2 2.88Å; R336-E484 IonicContact NH1-OE2 3.18Å; R336-E484 PolarHBondContact NH1-OE2 3.16Å |
| 337 | Y | 95.1 | Very high | 89.6 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 124.3 | 172 | -68.8 | -68.5 | 0 | 0 | 0 | 110.3 | P305 P307 D339 F350 I353 I354 I367 T368 H369 S370 | P305-Y337 HydrophobicContact CG-CD1 4.45Å; P307-Y337 HydrophobicContact CB-CD1 3.85Å; P307-Y337 HydrophobicContact CB-CE1 4.38Å; P307-Y337 HydrophobicContact CG-CD1 4.35Å; Y337-D339 PolarHBondContact O-N 3.03Å; Y337-D339 VanDerWaalsContact O-N 3.15Å; Y337-F350 AromaticContact CD1-CD1 3.82Å; Y337-F350 HydrophobicContact CD1-CD1 3.82Å; Y337-F350 HydrophobicContact CD1-CE1 4.1Å; Y337-F350 AromaticContact CD2-CD1 3.82Å; Y337-F350 HydrophobicContact CD2-CD1 3.82Å; Y337-F350 HydrophobicContact CD2-CE1 4.19Å; Y337-F350 AromaticContact CE1-CD1 3.83Å; Y337-F350 HydrophobicContact CE1-CD1 3.83Å; Y337-F350 AromaticContact CE2-CD1 3.84Å; Y337-F350 HydrophobicContact CE2-CD1 3.84Å; Y337-F350 AromaticContact CG-CD1 3.79Å; Y337-F350 HydrophobicContact CG-CD1 3.79Å; Y337-F350 AromaticContact CG-CE1 3.88Å; Y337-F350 HydrophobicContact CG-CE1 3.88Å; Y337-F350 AromaticContact CZ-CD1 3.83Å; Y337-F350 PolarHBondContact OH-O 3.46Å; Y337-I353 HydrophobicContact CD1-CD1 4.35Å; Y337-I353 HydrophobicContact CE1-CB 4.06Å; Y337-I353 HydrophobicContact CE1-CD1 3.78Å; Y337-I353 HydrophobicContact CE1-CG2 3.88Å; Y337-I354 VanDerWaalsContact OH-CD1 3.3Å; Y337-I354 WeakPolarHBondContact OH-CD1 3.35Å; Y337-I354 VanDerWaalsContact OH-CG1 3.24Å; Y337-I354 WeakPolarHBondContact OH-CG1 3.45Å; Y337-I367 HydrophobicContact CD2-CG2 3.95Å; Y337-I367 HydrophobicContact CE2-CG2 3.62Å; Y337-T368 PolarHBondContact N-O 3.35Å; Y337-H369 AromaticContact CD2-CD2 3.92Å; Y337-H369 AromaticContact CD2-CE1 3.88Å; Y337-H369 AromaticContact CD2-NE2 3.52Å; Y337-H369 WeakPolarHBondContact O-CA 3.45Å; Y337-S370 PolarHBondContact O-N 3.33Å; Y337-S370 PolarHBondContact O-OG 2.91Å |
| 338 | D | 92.8 | Very high | 89.2 | Confident | 11 Ų | 11 | 48.7 Ų | 48.7 | 6% | 0.059 | 25% | 0.248 | C | C | . | . | trans | -83.2 | 86.8 | 169.8 | -174.3 | -2.3 | 0 | 0 | 0 | 110 | P305 E306 P307 R336 T340 Y473 | P305-D338 PolarHBondContact O-N 3.01Å; E306-D338 HydrophobicContact CG-CB 4.24Å; P307-D338 WeakPolarHBondContact CD-O 3.38Å; R336-D338 PolarHBondContact O-N 3.41Å; D338-T340 WeakPolarHBondContact OD1-CB 3.43Å; D338-T340 VanDerWaalsContact OD1-CG2 3.25Å; D338-T340 WeakPolarHBondContact OD1-CG2 3.27Å; D338-T340 PolarHBondContact OD1-N 3.2Å; D338-T340 PolarHBondContact OD1-OG1 3.07Å; D338-Y473 WeakPolarHBondContact OD2-CD2 3.31Å; D338-Y473 WeakPolarHBondContact OD2-CE2 3.5Å | ||
| 339 | D | 92.4 | Very high | 89 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | trans | -101.6 | 33.8 | 176.6 | 63.2 | -17 | 0 | 0 | 0 | 112 | Y337 N341 H369 S370 S371 H460 H461 | Y337-D339 PolarHBondContact O-N 3.03Å; Y337-D339 VanDerWaalsContact O-N 3.15Å; D339-N341 PolarHBondContact O-N 3.17Å; D339-H369 IonicContact OD2-CD2 3.96Å; D339-H369 IonicContact OD2-CG 3.16Å; D339-S370 WeakPolarHBondContact OD1-CA 3.45Å; D339-S370 WeakPolarHBondContact OD1-CB 3.49Å; D339-S370 PolarHBondContact OD1-N 2.99Å; D339-S371 PolarHBondContact OD1-N 3.16Å; D339-S371 PolarHBondContact OD1-OG 3.34Å; D339-S371 VanDerWaalsContact OD2-CB 3.26Å; D339-S371 WeakPolarHBondContact OD2-CB 3.48Å; D339-S371 PolarHBondContact OD2-OG 2.96Å; D339-H460 PolarHBondContact O-NE2 3.37Å; D339-H460 IonicContact OD2-CE1 3.34Å; D339-H460 PolarHBondContact OD2-CE1 2.92Å; D339-H460 IonicContact OD2-NE2 2.77Å; D339-H461 WeakPolarHBondContact CB-NE2 3.38Å; D339-H461 IonicContact OD2-CE1 3.08Å; D339-H461 IonicContact OD2-NE2 3.78Å | ||
| 340 | T | 91 | Very high | 88.9 | Confident | 11 Ų | 11 | 45.5 Ų | 45.5 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | trans | -67.4 | -15.6 | 174.6 | 55 | 0 | 0 | 0 | 0 | 113.5 | D338 R454 P471 T476 | D338-T340 WeakPolarHBondContact OD1-CB 3.43Å; D338-T340 VanDerWaalsContact OD1-CG2 3.25Å; D338-T340 WeakPolarHBondContact OD1-CG2 3.27Å; D338-T340 PolarHBondContact OD1-N 3.2Å; D338-T340 PolarHBondContact OD1-OG1 3.07Å; T340-R454 PolarHBondContact O-NH2 2.94Å; T340-P471 HydrophobicContact CG2-CG 4.48Å; T340-T476 HydrophobicContact CG2-CG2 3.58Å; T340-T476 WeakPolarHBondContact CG2-OG1 3.1Å | ||
| 341 | N | 89.4 | Confident | 88.8 | Confident | 45 Ų | 45 | 49.2 Ų | 49.2 | 24% | 0.241 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -89.4 | 120 | 170 | -168.8 | 19.4 | 0 | 0 | 0 | 110 | D339 E343 K456 | D339-N341 PolarHBondContact O-N 3.17Å; N341-E343 VanDerWaalsContact C-N 3.25Å; N341-E343 PolarHBondContact ND2-OE2 3.32Å; N341-E343 PolarHBondContact O-N 3.02Å; N341-K456 PolarHBondContact OD1-NZ 3.4Å |
| 342 | P | 86.1 | Confident | 88.6 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -71 | -16 | -177.4 | 29 | -39.3 | 0 | 0 | 0 | 115.5 | K344 K456 V458 H460 Y470 | P342-K344 PolarHBondContact O-N 3.33Å; P342-K456 HydrophobicContact CG-CB 4.1Å; P342-K456 HydrophobicContact CG-CD 3.8Å; P342-V458 HydrophobicContact CB-CB 4.28Å; P342-V458 HydrophobicContact CB-CG1 4.38Å; P342-V458 HydrophobicContact CG-CB 4.14Å; P342-H460 HydrophobicContact CB-CB 4.43Å; P342-Y470 HydrophobicContact CB-CD1 4.24Å; P342-Y470 HydrophobicContact CB-CD2 4.23Å; P342-Y470 HydrophobicContact CB-CE1 3.72Å; P342-Y470 HydrophobicContact CB-CE2 3.67Å; P342-Y470 HydrophobicContact CB-CG 4.47Å; P342-Y470 WeakPolarHBondContact CB-OH 3.21Å; P342-Y470 HydrophobicContact CG-CD1 4.38Å; P342-Y470 HydrophobicContact CG-CD2 3.71Å; P342-Y470 HydrophobicContact CG-CE1 4.24Å; P342-Y470 HydrophobicContact CG-CE2 3.51Å; P342-Y470 HydrophobicContact CG-CG 4.12Å | ||
| 343 | E | 82.3 | Confident | 88.5 | Confident | 92 Ų | 92 | 48.1 Ų | 48.1 | 43% | 0.43 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -54.5 | 130.7 | 179.2 | -74 | 162.6 | -146.7 | 0 | 0 | 110.3 | N341 E345 K456 | N341-E343 VanDerWaalsContact C-N 3.25Å; N341-E343 PolarHBondContact ND2-OE2 3.32Å; N341-E343 PolarHBondContact O-N 3.02Å; E343-E345 PolarHBondContact O-N 2.97Å; E343-K456 IonicContact OE1-NZ 3.61Å; E343-K456 PolarHBondContact OE1-NZ 2.82Å |
| 344 | K | 69.4 | Low | 88.3 | Confident | 179 Ų | 179 | 49.7 Ų | 49.7 | 78% | 0.778 | 23% | 0.229 | S | C | * | . | trans | -64.7 | 111 | -173.5 | -175.4 | 178.3 | -179.9 | 178.4 | 0 | 110.2 | P342 H461 | P342-K344 PolarHBondContact O-N 3.33Å; K344-H461 HydrophobicContact CG-CB 4.34Å | ||
| 345 | E | 73.8 | Confident | 88.1 | Confident | 32 Ų | 32 | 51 Ų | 51 | 15% | 0.15 | 24% | 0.239 | C | C | . | . | trans | -82.8 | 148.6 | 169.2 | -60.7 | -59.1 | 167.4 | 0 | 0 | 110.9 | P307 N308 E343 F350 | P307-E345 HydrophobicContact CG-CG 4.41Å; P307-E345 WeakPolarHBondContact O-CB 3.35Å; N308-E345 VanDerWaalsContact CA-OE2 3.25Å; N308-E345 WeakPolarHBondContact CA-OE2 3.48Å; N308-E345 HydrophobicContact CB-CG 4.15Å; N308-E345 WeakPolarHBondContact CB-OE1 3.33Å; N308-E345 WeakPolarHBondContact CB-OE2 3.49Å; E343-E345 PolarHBondContact O-N 2.97Å; E345-F350 HydrophobicContact CB-CE2 4.03Å; E345-F350 HydrophobicContact CB-CZ 4.48Å | ||
| 346 | E | 76.7 | Confident | 88 | Confident | 89 Ų | 89 | 51.4 Ų | 51.4 | 42% | 0.416 | 24% | 0.241 | S | C | . | . | trans | -74.3 | 134.4 | -179 | -59.9 | -178.9 | -134 | 0 | 0 | 111 | R348 Y349 | E346-R348 HydrophobicContact CB-CG 3.84Å; E346-R348 PolarHBondContact O-N 2.96Å; E346-R348 IonicContact OE1-CZ 4Å; E346-R348 IonicContact OE1-NE 3.21Å; E346-R348 IonicContact OE1-NH1 3.92Å; E346-R348 IonicContact OE1-NH2 3.83Å; E346-R348 PolarHBondContact OE1-NH2 3.14Å; E346-R348 VanDerWaalsContact OE2-CD 3.29Å; E346-R348 WeakPolarHBondContact OE2-CD 3.36Å; E346-R348 IonicContact OE2-CZ 2.69Å; E346-R348 IonicContact OE2-NE 2.89Å; E346-R348 PolarHBondContact OE2-NE 3.4Å; E346-R348 IonicContact OE2-NH1 2.79Å; E346-R348 PolarHBondContact OE2-NH1 3.27Å; E346-R348 IonicContact OE2-NH2 3.91Å; E346-R348 PolarHBondContact OE2-NH2 2.98Å; E346-Y349 HydrophobicContact CB-CD2 3.81Å; E346-Y349 HydrophobicContact CB-CE2 3.72Å; E346-Y349 HydrophobicContact CG-CE2 4Å; E346-Y349 WeakPolarHBondContact O-CD2 3.34Å; E346-Y349 PolarHBondContact O-N 3.05Å | ||
| 347 | E | 81.8 | Confident | 87.9 | Confident | 165 Ų | 165 | 51.4 Ų | 51.4 | 77% | 0.771 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -52 | -30.2 | 179.7 | -172.5 | 176.8 | -176.7 | 0 | 0 | 113.1 | Y349 F350 K351 | E347-Y349 PolarHBondContact O-N 3.15Å; E347-F350 PolarHBondContact O-N 2.98Å; E347-K351 PolarHBondContact O-N 2.81Å; E347-K351 VanDerWaalsContact O-N 3.15Å |
| 348 | R | 84.2 | Confident | 88 | Confident | 131 Ų | 131 | 56 Ų | 56 | 49% | 0.494 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.5 | -30.1 | 176.1 | 74.4 | -179 | -172.6 | -156.3 | -12.5 | 113.9 | E346 G352 | E346-R348 HydrophobicContact CB-CG 3.84Å; E346-R348 PolarHBondContact O-N 2.96Å; E346-R348 IonicContact OE1-CZ 4Å; E346-R348 IonicContact OE1-NE 3.21Å; E346-R348 IonicContact OE1-NH1 3.92Å; E346-R348 IonicContact OE1-NH2 3.83Å; E346-R348 PolarHBondContact OE1-NH2 3.14Å; E346-R348 VanDerWaalsContact OE2-CD 3.29Å; E346-R348 WeakPolarHBondContact OE2-CD 3.36Å; E346-R348 IonicContact OE2-CZ 2.69Å; E346-R348 IonicContact OE2-NE 2.89Å; E346-R348 PolarHBondContact OE2-NE 3.4Å; E346-R348 IonicContact OE2-NH1 2.79Å; E346-R348 PolarHBondContact OE2-NH1 3.27Å; E346-R348 IonicContact OE2-NH2 3.91Å; E346-R348 PolarHBondContact OE2-NH2 2.98Å; R348-G352 PolarHBondContact O-N 3.48Å |
| 349 | Y | 87.1 | Confident | 88.1 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 6% | 0.059 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -73.6 | -41 | 179.6 | -62.2 | -59.6 | 0 | 0 | 0 | 111.2 | P307 I310 E346 E347 G352 I353 | P307-Y349 WeakPolarHBondContact O-CB 3.38Å; P307-Y349 WeakPolarHBondContact O-CD2 3.42Å; I310-Y349 HydrophobicContact CG1-CD1 4.21Å; I310-Y349 HydrophobicContact CG1-CE1 4.05Å; E346-Y349 HydrophobicContact CB-CD2 3.81Å; E346-Y349 HydrophobicContact CB-CE2 3.72Å; E346-Y349 HydrophobicContact CG-CE2 4Å; E346-Y349 WeakPolarHBondContact O-CD2 3.34Å; E346-Y349 PolarHBondContact O-N 3.05Å; E347-Y349 PolarHBondContact O-N 3.15Å; Y349-G352 PolarHBondContact O-N 2.92Å; Y349-I353 WeakPolarHBondContact O-CB 3.5Å; Y349-I353 VanDerWaalsContact O-CG1 3.26Å; Y349-I353 WeakPolarHBondContact O-CG1 3.35Å; Y349-I353 PolarHBondContact O-N 3.26Å |
| 350 | F | 89 | Confident | 88.3 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 13% | 0.132 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.1 | -51.7 | 173.7 | -63.5 | -93.5 | 0 | 0 | 0 | 110.5 | P307 Y337 E345 E347 G352 I353 I354 H461 | P307-F350 HydrophobicContact CB-CD1 3.88Å; P307-F350 HydrophobicContact CB-CD2 4.22Å; P307-F350 HydrophobicContact CB-CE1 3.51Å; P307-F350 HydrophobicContact CB-CE2 3.89Å; P307-F350 HydrophobicContact CB-CG 4.22Å; P307-F350 HydrophobicContact CB-CZ 3.52Å; P307-F350 HydrophobicContact CG-CE1 3.68Å; P307-F350 HydrophobicContact CG-CE2 4.31Å; P307-F350 HydrophobicContact CG-CZ 3.56Å; Y337-F350 AromaticContact CD1-CD1 3.82Å; Y337-F350 HydrophobicContact CD1-CD1 3.82Å; Y337-F350 HydrophobicContact CD1-CE1 4.1Å; Y337-F350 AromaticContact CD2-CD1 3.82Å; Y337-F350 HydrophobicContact CD2-CD1 3.82Å; Y337-F350 HydrophobicContact CD2-CE1 4.19Å; Y337-F350 AromaticContact CE1-CD1 3.83Å; Y337-F350 HydrophobicContact CE1-CD1 3.83Å; Y337-F350 AromaticContact CE2-CD1 3.84Å; Y337-F350 HydrophobicContact CE2-CD1 3.84Å; Y337-F350 AromaticContact CG-CD1 3.79Å; Y337-F350 HydrophobicContact CG-CD1 3.79Å; Y337-F350 AromaticContact CG-CE1 3.88Å; Y337-F350 HydrophobicContact CG-CE1 3.88Å; Y337-F350 AromaticContact CZ-CD1 3.83Å; Y337-F350 PolarHBondContact OH-O 3.46Å; E345-F350 HydrophobicContact CB-CE2 4.03Å; E345-F350 HydrophobicContact CB-CZ 4.48Å; E347-F350 PolarHBondContact O-N 2.98Å; F350-G352 PolarHBondContact O-N 2.76Å; F350-I353 PolarHBondContact O-N 3.34Å; F350-I354 PolarHBondContact O-N 3Å; F350-H461 AromaticContact CZ-CE1 3.62Å |
| 351 | K | 90.1 | Very high | 88.5 | Confident | 136 Ų | 136 | 59.4 Ų | 59.4 | 59% | 0.591 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.7 | -45.1 | 177.6 | -172.2 | 175.5 | 178.5 | 178.7 | 0 | 111.8 | E347 I353 I354 D355 | E347-K351 PolarHBondContact O-N 2.81Å; E347-K351 VanDerWaalsContact O-N 3.15Å; K351-I353 VanDerWaalsContact C-N 3.31Å; K351-I353 PolarHBondContact O-N 2.79Å; K351-I354 PolarHBondContact O-N 2.73Å; K351-D355 WeakPolarHBondContact O-CB 3.43Å; K351-D355 PolarHBondContact O-N 3Å |
| 352 | G | 91.4 | Very high | 88.8 | Confident | 24 Ų | 24 | 57.8 Ų | 57.8 | 25% | 0.247 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.7 | -34.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | R348 Y349 F350 T356 | R348-G352 PolarHBondContact O-N 3.48Å; Y349-G352 PolarHBondContact O-N 2.92Å; F350-G352 PolarHBondContact O-N 2.76Å; G352-T356 VanDerWaalsContact O-CB 3.29Å; G352-T356 WeakPolarHBondContact O-CB 3.27Å; G352-T356 PolarHBondContact O-N 3.16Å; G352-T356 PolarHBondContact O-OG1 2.71Å |
| 353 | I | 93.9 | Very high | 89.3 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.9 | -48.7 | 175.6 | -73.4 | 164.9 | 0 | 0 | 0 | 110.5 | P305 P307 L311 L335 Y337 Y349 F350 K351 T356 V357 | P305-I353 HydrophobicContact CB-CD1 4.22Å; P305-I353 HydrophobicContact CG-CD1 4.23Å; P305-I353 HydrophobicContact CG-CG2 3.86Å; P307-I353 HydrophobicContact CB-CD1 4.44Å; L311-I353 HydrophobicContact CD1-CB 4.28Å; L311-I353 HydrophobicContact CD1-CG1 3.96Å; L311-I353 HydrophobicContact CD1-CG2 4.22Å; L311-I353 HydrophobicContact CD2-CG1 4.18Å; L311-I353 HydrophobicContact CG-CG1 3.94Å; L335-I353 HydrophobicContact CD1-CG2 3.97Å; L335-I353 HydrophobicContact CD2-CG2 4.32Å; Y337-I353 HydrophobicContact CD1-CD1 4.35Å; Y337-I353 HydrophobicContact CE1-CB 4.06Å; Y337-I353 HydrophobicContact CE1-CD1 3.78Å; Y337-I353 HydrophobicContact CE1-CG2 3.88Å; Y349-I353 WeakPolarHBondContact O-CB 3.5Å; Y349-I353 VanDerWaalsContact O-CG1 3.26Å; Y349-I353 WeakPolarHBondContact O-CG1 3.35Å; Y349-I353 PolarHBondContact O-N 3.26Å; F350-I353 PolarHBondContact O-N 3.34Å; K351-I353 VanDerWaalsContact C-N 3.31Å; K351-I353 PolarHBondContact O-N 2.79Å; I353-T356 WeakPolarHBondContact O-CB 3.35Å; I353-T356 PolarHBondContact O-N 2.89Å; I353-V357 WeakPolarHBondContact O-CG2 3.32Å; I353-V357 PolarHBondContact O-N 2.53Å |
| 354 | I | 94.7 | Very high | 90 | Very high | 39 Ų | 39 | 62.5 Ų | 62.5 | 20% | 0.2 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61 | -50.6 | 177.4 | -69.6 | 154.3 | 0 | 0 | 0 | 110.5 | L335 Y337 F350 K351 T356 V357 E358 I367 | L335-I354 HydrophobicContact CD2-CG1 3.67Å; Y337-I354 VanDerWaalsContact OH-CD1 3.3Å; Y337-I354 WeakPolarHBondContact OH-CD1 3.35Å; Y337-I354 VanDerWaalsContact OH-CG1 3.24Å; Y337-I354 WeakPolarHBondContact OH-CG1 3.45Å; F350-I354 PolarHBondContact O-N 3Å; K351-I354 PolarHBondContact O-N 2.73Å; I354-T356 PolarHBondContact O-N 3.2Å; I354-T356 VanDerWaalsContact O-N 3.12Å; I354-V357 PolarHBondContact O-N 3.24Å; I354-E358 HydrophobicContact CG2-CG 4.27Å; I354-E358 WeakPolarHBondContact O-CG 3.29Å; I354-E358 PolarHBondContact O-N 2.98Å; I354-I367 HydrophobicContact CD1-CD1 3.78Å; I354-I367 HydrophobicContact CG1-CD1 4.11Å |
| 355 | D | 94.4 | Very high | 91.2 | Very high | 62 Ų | 62 | 59.6 Ų | 59.6 | 33% | 0.332 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.6 | -33 | 179.6 | -70.4 | -9.5 | 0 | 0 | 0 | 111.5 | K351 W359 | K351-D355 WeakPolarHBondContact O-CB 3.43Å; K351-D355 PolarHBondContact O-N 3Å; D355-W359 WeakPolarHBondContact O-CB 3.49Å; D355-W359 PolarHBondContact O-N 3.47Å |
| 356 | T | 95.2 | Very high | 92.3 | Very high | 9 Ų | 9 | 63.6 Ų | 63.6 | 6% | 0.055 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -74.9 | -43.4 | 177.2 | -61.5 | 0 | 0 | 0 | 0 | 112.3 | L311 G352 I353 I354 E358 W359 L360 L554 | L311-T356 HydrophobicContact CB-CG2 4.49Å; L311-T356 HydrophobicContact CD1-CG2 3.86Å; G352-T356 VanDerWaalsContact O-CB 3.29Å; G352-T356 WeakPolarHBondContact O-CB 3.27Å; G352-T356 PolarHBondContact O-N 3.16Å; G352-T356 PolarHBondContact O-OG1 2.71Å; I353-T356 WeakPolarHBondContact O-CB 3.35Å; I353-T356 PolarHBondContact O-N 2.89Å; I354-T356 PolarHBondContact O-N 3.2Å; I354-T356 VanDerWaalsContact O-N 3.12Å; T356-E358 VanDerWaalsContact C-N 3.34Å; T356-W359 PolarHBondContact O-N 3.3Å; T356-L360 HydrophobicContact CG2-CD1 4.47Å; T356-L360 WeakPolarHBondContact O-CG 3.46Å; T356-L360 PolarHBondContact O-N 2.93Å; T356-L554 HydrophobicContact CG2-CB 3.67Å; T356-L554 HydrophobicContact CG2-CD1 3.37Å; T356-L554 HydrophobicContact CG2-CG 4.11Å |
| 357 | V | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 176.4 | 170.9 | 0 | 0 | 0 | 0 | 110.2 | F303 I319 F323 I353 I354 L360 Y362 | F303-V357 HydrophobicContact CD1-CG2 4.36Å; F303-V357 HydrophobicContact CE1-CG2 4.46Å; I319-V357 HydrophobicContact CD1-CG2 4Å; I319-V357 HydrophobicContact CG1-CG2 4.33Å; F323-V357 HydrophobicContact CD2-CG1 4.49Å; F323-V357 HydrophobicContact CE1-CG1 4.03Å; F323-V357 HydrophobicContact CE2-CG1 3.84Å; F323-V357 HydrophobicContact CE2-CG2 4.39Å; F323-V357 HydrophobicContact CZ-CG1 3.58Å; I353-V357 WeakPolarHBondContact O-CG2 3.32Å; I353-V357 PolarHBondContact O-N 2.53Å; I354-V357 PolarHBondContact O-N 3.24Å; V357-L360 PolarHBondContact O-N 2.94Å; V357-Y362 CarbonylContact C-O 3.4Å; V357-Y362 PolarHBondContact O-N 2.9Å; V357-Y362 VanDerWaalsContact O-N 3.12Å |
| 358 | E | 96.4 | Very high | 94 | Very high | 101 Ų | 101 | 54.9 Ų | 54.9 | 47% | 0.472 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 177 | -68.8 | -172.5 | 157.7 | 0 | 0 | 112.3 | I354 T356 L360 G361 Y362 | I354-E358 HydrophobicContact CG2-CG 4.27Å; I354-E358 WeakPolarHBondContact O-CG 3.29Å; I354-E358 PolarHBondContact O-N 2.98Å; T356-E358 VanDerWaalsContact C-N 3.34Å; E358-L360 VanDerWaalsContact C-N 3.29Å; E358-L360 PolarHBondContact O-N 2.69Å; E358-G361 WeakPolarHBondContact O-CA 3.34Å; E358-G361 PolarHBondContact O-N 2.74Å; E358-Y362 VanDerWaalsContact CA-O 3.28Å; E358-Y362 WeakPolarHBondContact CA-O 3.41Å |
| 359 | W | 95.8 | Very high | 94.5 | Very high | 39 Ų | 39 | 49.9 Ų | 49.9 | 15% | 0.148 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.6 | -37.5 | 175.4 | 170.6 | 65.8 | 0 | 0 | 0 | 112.6 | D355 T356 G361 L554 R558 F562 P564 V567 | D355-W359 WeakPolarHBondContact O-CB 3.49Å; D355-W359 PolarHBondContact O-N 3.47Å; T356-W359 PolarHBondContact O-N 3.3Å; W359-G361 PolarHBondContact O-N 2.79Å; W359-G361 VanDerWaalsContact O-N 3.17Å; W359-L554 HydrophobicContact CZ3-CB 4.28Å; W359-L554 HydrophobicContact CZ3-CD2 4.1Å; W359-R558 HydrophobicContact CD2-CB 4.32Å; W359-R558 HydrophobicContact CD2-CG 4.31Å; W359-R558 HydrophobicContact CH2-CB 4.1Å; W359-R558 HydrophobicContact CZ2-CB 3.75Å; W359-R558 HydrophobicContact CZ2-CG 4.15Å; W359-F562 WeakPolarHBondContact CZ2-O 3.24Å; W359-P564 HydrophobicContact CD2-CB 4.37Å; W359-P564 HydrophobicContact CZ2-CB 4.35Å; W359-P564 WeakPolarHBondContact O-CB 3.29Å; W359-P564 WeakPolarHBondContact O-CG 3.29Å; W359-V567 HydrophobicContact CH2-CG2 4.21Å |
| 360 | L | 96.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 0.7 | 173 | -68.6 | 175.4 | 0 | 0 | 0 | 113.5 | A316 I319 T356 V357 E358 Y362 L554 P564 V567 N568 | A316-L360 HydrophobicContact CB-CD1 4.21Å; I319-L360 HydrophobicContact CB-CD1 4.28Å; I319-L360 HydrophobicContact CD1-CD1 3.97Å; I319-L360 HydrophobicContact CG2-CD1 3.96Å; T356-L360 HydrophobicContact CG2-CD1 4.47Å; T356-L360 WeakPolarHBondContact O-CG 3.46Å; T356-L360 PolarHBondContact O-N 2.93Å; V357-L360 PolarHBondContact O-N 2.94Å; E358-L360 VanDerWaalsContact C-N 3.29Å; E358-L360 PolarHBondContact O-N 2.69Å; L360-Y362 HydrophobicContact CB-CD2 3.99Å; L360-Y362 HydrophobicContact CB-CE2 4.28Å; L360-L554 HydrophobicContact CD1-CD1 4.35Å; L360-P564 HydrophobicContact CD2-CB 4.43Å; L360-V567 HydrophobicContact CD2-CB 4.13Å; L360-V567 HydrophobicContact CD2-CG1 3.9Å; L360-N568 PolarHBondContact O-ND2 2.93Å |
| 361 | G | 95 | Very high | 95.2 | Very high | 56 Ų | 56 | 48.4 Ų | 48.4 | 58% | 0.577 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.2 | 18.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E358 W359 | E358-G361 WeakPolarHBondContact O-CA 3.34Å; E358-G361 PolarHBondContact O-N 2.74Å; W359-G361 PolarHBondContact O-N 2.79Å; W359-G361 VanDerWaalsContact O-N 3.17Å |
| 362 | Y | 95.6 | Very high | 95.5 | Very high | 12 Ų | 12 | 45.5 Ų | 45.5 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | trans | -113.6 | 151.4 | 179.2 | -60.7 | -68.5 | 0 | 0 | 0 | 112.2 | I256 I319 N320 F323 V357 E358 L360 | I256-Y362 VanDerWaalsContact CG2-OH 3.24Å; I256-Y362 WeakPolarHBondContact CG2-OH 3.26Å; I319-Y362 HydrophobicContact CG2-CD2 3.63Å; I319-Y362 HydrophobicContact CG2-CE2 4.02Å; N320-Y362 PolarHBondContact OD1-OH 3.41Å; F323-Y362 HydrophobicContact CB-CD1 3.3Å; F323-Y362 HydrophobicContact CB-CD2 4.1Å; F323-Y362 HydrophobicContact CB-CE1 3.69Å; F323-Y362 HydrophobicContact CB-CE2 4.45Å; F323-Y362 HydrophobicContact CB-CG 3.49Å; F323-Y362 VanDerWaalsContact CB-CG 3.49Å; F323-Y362 HydrophobicContact CD1-CD1 4.46Å; F323-Y362 HydrophobicContact CD1-CG 4.27Å; F323-Y362 HydrophobicContact CG-CD1 4.13Å; F323-Y362 AromaticContact CG-CG 3.9Å; F323-Y362 HydrophobicContact CG-CG 3.9Å; V357-Y362 CarbonylContact C-O 3.4Å; V357-Y362 PolarHBondContact O-N 2.9Å; V357-Y362 VanDerWaalsContact O-N 3.12Å; E358-Y362 VanDerWaalsContact CA-O 3.28Å; E358-Y362 WeakPolarHBondContact CA-O 3.41Å; L360-Y362 HydrophobicContact CB-CD2 3.99Å; L360-Y362 HydrophobicContact CB-CE2 4.28Å | ||
| 363 | K | 95.8 | Very high | 95.7 | Very high | 172 Ų | 172 | 46.4 Ų | 46.4 | 75% | 0.748 | 23% | 0.233 | S | C | * | . | trans | -127 | 126.4 | 175.9 | -172.9 | 177.6 | -179.4 | 177 | 0 | 110 | ||||
| 364 | P | 96.9 | Very high | 95.9 | Very high | 18 Ų | 18 | 46.5 Ų | 46.5 | 12% | 0.117 | 23% | 0.233 | C | C | . | . | trans | -63.2 | 135.8 | 173.6 | 26.6 | -32.8 | 0 | 0 | 0 | 111.2 | F323 L335 I367 | F323-P364 HydrophobicContact CE1-CB 4.36Å; F323-P364 HydrophobicContact CZ-CB 4.47Å; L335-P364 HydrophobicContact CB-CB 3.68Å; L335-P364 HydrophobicContact CB-CG 4.41Å; L335-P364 HydrophobicContact CD2-CG 4.44Å; P364-I367 HydrophobicContact CB-CG1 4.18Å; P364-I367 HydrophobicContact CG-CD1 4.28Å; P364-I367 HydrophobicContact CG-CG1 3.95Å | ||
| 365 | F | 96.3 | Very high | 96 | Very high | 118 Ų | 118 | 48 Ų | 48 | 52% | 0.518 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -64.6 | -45.4 | 171.1 | 164.6 | -112 | 0 | 0 | 0 | 110.7 | V332 C333 Y334 | V332-F365 HydrophobicContact CB-CB 3.7Å; V332-F365 HydrophobicContact CB-CD1 3.98Å; V332-F365 HydrophobicContact CB-CD2 4.07Å; V332-F365 HydrophobicContact CB-CG 3.64Å; V332-F365 HydrophobicContact CG1-CB 4.12Å; V332-F365 HydrophobicContact CG1-CD1 4.4Å; V332-F365 HydrophobicContact CG1-CD2 3.66Å; V332-F365 HydrophobicContact CG1-CE2 4.16Å; V332-F365 HydrophobicContact CG1-CG 3.8Å; V332-F365 HydrophobicContact CG2-CD1 4.08Å; V332-F365 HydrophobicContact CG2-CE1 4.44Å; V332-F365 HydrophobicContact CG2-CG 4.25Å; C333-F365 WeakPolarHBondContact O-CB 3.32Å; C333-F365 PolarHBondContact O-N 2.8Å; Y334-F365 HydrophobicContact CE1-CD1 4.34Å; Y334-F365 HydrophobicContact CE1-CE1 4.48Å; Y334-F365 HydrophobicContact CE2-CD1 4.05Å; Y334-F365 HydrophobicContact CE2-CE1 4.31Å; Y334-F365 AromaticContact CZ-CD1 3.95Å; Y334-F365 AromaticContact CZ-CE1 3.92Å |
| 366 | K | 96.8 | Very high | 96.1 | Very high | 117 Ų | 117 | 50.5 Ų | 50.5 | 51% | 0.509 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 142 | 174.8 | -168.4 | 173.3 | 179.3 | -177.8 | 0 | 109 | Y334 L335 T368 | Y334-K366 HydrophobicContact CD1-CB 4.02Å; Y334-K366 HydrophobicContact CE1-CB 3.91Å; Y334-K366 HydrophobicContact CE1-CD 4.21Å; Y334-K366 HydrophobicContact CE1-CG 4.49Å; L335-K366 PolarHBondContact N-O 3.26Å; K366-T368 HydrophobicContact CD-CG2 4.07Å; K366-T368 HydrophobicContact CG-CG2 4.04Å |
| 367 | I | 96.9 | Very high | 96.3 | Very high | 70 Ų | 70 | 50 Ų | 50 | 36% | 0.359 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.9 | 170 | -59.6 | 172.2 | 0 | 0 | 0 | 106.8 | L335 Y337 I354 P364 | L335-I367 HydrophobicContact CB-CG1 4.42Å; L335-I367 HydrophobicContact CD2-CG1 4.33Å; L335-I367 WeakPolarHBondContact O-CA 3.1Å; Y337-I367 HydrophobicContact CD2-CG2 3.95Å; Y337-I367 HydrophobicContact CE2-CG2 3.62Å; I354-I367 HydrophobicContact CD1-CD1 3.78Å; I354-I367 HydrophobicContact CG1-CD1 4.11Å; P364-I367 HydrophobicContact CB-CG1 4.18Å; P364-I367 HydrophobicContact CG-CD1 4.28Å; P364-I367 HydrophobicContact CG-CG1 3.95Å |
| 368 | T | 96.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 165.7 | 178.3 | 54.2 | 0 | 0 | 0 | 0 | 109.6 | Y334 L335 R336 Y337 K366 E484 | Y334-T368 HydrophobicContact CD1-CG2 3.92Å; Y334-T368 HydrophobicContact CE1-CG2 4.13Å; L335-T368 PolarHBondContact O-N 2.9Å; R336-T368 CarbonylContact C-O 3.45Å; R336-T368 VanDerWaalsContact CA-O 3.3Å; R336-T368 WeakPolarHBondContact CA-O 3.47Å; R336-T368 WeakPolarHBondContact CB-OG1 3.36Å; R336-T368 WeakPolarHBondContact CG-OG1 3.25Å; Y337-T368 PolarHBondContact N-O 3.35Å; K366-T368 HydrophobicContact CD-CG2 4.07Å; K366-T368 HydrophobicContact CG-CG2 4.04Å; T368-E484 VanDerWaalsContact CB-OE1 3.28Å; T368-E484 WeakPolarHBondContact CB-OE1 3.41Å; T368-E484 PolarHBondContact OG1-OE1 2.91Å |
| 369 | H | 95.4 | Very high | 96.4 | Very high | 25 Ų | 25 | 50.9 Ų | 50.9 | 12% | 0.116 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 148.4 | 175.5 | -59.8 | 66.3 | 0 | 0 | 0 | 108.6 | Y337 D339 S371 D372 Y373 R462 | Y337-H369 AromaticContact CD2-CD2 3.92Å; Y337-H369 AromaticContact CD2-CE1 3.88Å; Y337-H369 AromaticContact CD2-NE2 3.52Å; Y337-H369 WeakPolarHBondContact O-CA 3.45Å; D339-H369 IonicContact OD2-CD2 3.96Å; D339-H369 IonicContact OD2-CG 3.16Å; H369-S371 PolarHBondContact O-N 3.03Å; H369-D372 PolarHBondContact N-OD2 3.49Å; H369-D372 IonicContact ND1-OD2 3.02Å; H369-D372 VanDerWaalsContact O-CB 3.28Å; H369-D372 WeakPolarHBondContact O-CB 3.29Å; H369-D372 PolarHBondContact O-N 2.9Å; H369-Y373 WeakPolarHBondContact O-CD2 3.41Å; H369-R462 WeakPolarHBondContact CD2-CD 3.32Å; H369-R462 VanDerWaalsContact CG-CZ 3.48Å |
| 370 | S | 95.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -59.6 | -33.2 | 173.7 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | Y337 D339 D372 Y373 | Y337-S370 PolarHBondContact O-N 3.33Å; Y337-S370 PolarHBondContact O-OG 2.91Å; D339-S370 WeakPolarHBondContact OD1-CA 3.45Å; D339-S370 WeakPolarHBondContact OD1-CB 3.49Å; D339-S370 PolarHBondContact OD1-N 2.99Å; S370-D372 VanDerWaalsContact C-N 3.26Å; S370-D372 PolarHBondContact O-N 3.45Å; S370-Y373 PolarHBondContact O-N 3.03Å |
| 371 | S | 94.4 | Very high | 96.6 | Very high | 12 Ų | 12 | 49.3 Ų | 49.3 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -65.1 | -20.2 | 174.4 | 65.1 | 0 | 0 | 0 | 0 | 115.5 | D339 H369 Y373 F374 H460 R462 | D339-S371 PolarHBondContact OD1-N 3.16Å; D339-S371 PolarHBondContact OD1-OG 3.34Å; D339-S371 VanDerWaalsContact OD2-CB 3.26Å; D339-S371 WeakPolarHBondContact OD2-CB 3.48Å; D339-S371 PolarHBondContact OD2-OG 2.96Å; H369-S371 PolarHBondContact O-N 3.03Å; S371-Y373 PolarHBondContact O-N 3.43Å; S371-F374 PolarHBondContact O-N 3.49Å; S371-H460 WeakPolarHBondContact CB-CE1 3.32Å; S371-R462 PolarHBondContact OG-NH1 2.98Å |
| 372 | D | 95.8 | Very high | 96.8 | Very high | 75 Ų | 75 | 48 Ų | 48 | 40% | 0.401 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -63.4 | -20.9 | 171.3 | -64.2 | -33 | 0 | 0 | 0 | 111.6 | H369 S370 R462 | H369-D372 PolarHBondContact N-OD2 3.49Å; H369-D372 IonicContact ND1-OD2 3.02Å; H369-D372 VanDerWaalsContact O-CB 3.28Å; H369-D372 WeakPolarHBondContact O-CB 3.29Å; H369-D372 PolarHBondContact O-N 2.9Å; S370-D372 VanDerWaalsContact C-N 3.26Å; S370-D372 PolarHBondContact O-N 3.45Å; D372-R462 IonicContact OD1-CZ 2.79Å; D372-R462 IonicContact OD1-NH1 2.53Å; D372-R462 PolarHBondContact OD1-NH1 3.05Å; D372-R462 IonicContact OD1-NH2 3.7Å; D372-R462 PolarHBondContact OD1-NH2 3.41Å; D372-R462 IonicContact OD2-NH1 2.78Å; D372-R462 IonicContact OD2-NH2 2.99Å |
| 373 | Y | 97.1 | Very high | 96.9 | Very high | 43 Ų | 43 | 50.5 Ų | 50.5 | 17% | 0.169 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -108 | 4.2 | -175.5 | -56.2 | -77.7 | 0 | 0 | 0 | 113.5 | H369 S370 S371 D375 R376 L377 M483 E484 | H369-Y373 WeakPolarHBondContact O-CD2 3.41Å; S370-Y373 PolarHBondContact O-N 3.03Å; S371-Y373 PolarHBondContact O-N 3.43Å; Y373-D375 VanDerWaalsContact C-N 3.31Å; Y373-D375 PolarHBondContact O-N 3.23Å; Y373-R376 PolarHBondContact O-N 3.42Å; Y373-L377 WeakPolarHBondContact O-CB 3.2Å; Y373-L377 VanDerWaalsContact O-CG 3.25Å; Y373-L377 WeakPolarHBondContact O-CG 3.24Å; Y373-L377 PolarHBondContact O-N 2.99Å; Y373-M483 HydrophobicContact CD1-CB 4.36Å; Y373-M483 HydrophobicContact CD1-CE 4.46Å; Y373-M483 HydrophobicContact CD1-SD 3.68Å; Y373-M483 HydrophobicContact CE1-CB 4.24Å; Y373-M483 HydrophobicContact CE1-SD 4.43Å; Y373-M483 HydrophobicContact CG-SD 4.27Å; Y373-E484 HydrophobicContact CE2-CG 4.45Å; Y373-E484 WeakPolarHBondContact OH-CG 3.42Å; Y373-E484 PolarHBondContact OH-OE1 3.49Å |
| 374 | F | 97.2 | Very high | 96.9 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 2% | 0.022 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.6 | -40.9 | -175.8 | -77.4 | -5.6 | 0 | 0 | 0 | 113.8 | S371 R376 L377 Y378 H460 A463 W467 Y470 P471 | S371-F374 PolarHBondContact O-N 3.49Å; F374-R376 PolarHBondContact O-N 3.42Å; F374-L377 HydrophobicContact CD1-CD1 4.13Å; F374-L377 PolarHBondContact O-N 3.5Å; F374-Y378 WeakPolarHBondContact O-CB 3.49Å; F374-Y378 PolarHBondContact O-N 2.92Å; F374-H460 AromaticContact CE2-CD2 3.76Å; F374-H460 AromaticContact CE2-NE2 3.86Å; F374-H460 AromaticContact CZ-NE2 3.88Å; F374-A463 HydrophobicContact CD2-CB 4.27Å; F374-A463 HydrophobicContact CE2-CB 4.47Å; F374-W467 HydrophobicContact CB-CZ2 4.4Å; F374-W467 AromaticContact CD2-CD1 3.82Å; F374-Y470 HydrophobicContact CE2-CD1 4.03Å; F374-Y470 HydrophobicContact CE2-CE1 4.07Å; F374-Y470 HydrophobicContact CZ-CD1 4.2Å; F374-P471 HydrophobicContact CD1-CG 4.17Å; F374-P471 HydrophobicContact CE1-CG 4.01Å |
| 375 | D | 96.8 | Very high | 97 | Very high | 70 Ų | 70 | 41.5 Ų | 41.5 | 37% | 0.374 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -57.6 | -49.7 | 174.3 | -71.3 | -67.5 | 0 | 0 | 0 | 111.4 | Y373 Y378 E379 K466 W467 | Y373-D375 VanDerWaalsContact C-N 3.31Å; Y373-D375 PolarHBondContact O-N 3.23Å; D375-Y378 WeakPolarHBondContact O-CB 3.29Å; D375-Y378 PolarHBondContact O-N 3.23Å; D375-E379 WeakPolarHBondContact O-CG 3.27Å; D375-E379 PolarHBondContact O-N 2.92Å; D375-K466 WeakPolarHBondContact OD1-CE 3.2Å; D375-K466 IonicContact OD1-NZ 3.68Å; D375-K466 PolarHBondContact OD1-NZ 2.87Å; D375-K466 IonicContact OD2-NZ 3.73Å; D375-K466 PolarHBondContact OD2-NZ 3.38Å; D375-W467 WeakPolarHBondContact OD1-CZ2 3.36Å |
| 376 | R | 97.2 | Very high | 97.1 | Very high | 114 Ų | 114 | 41.3 Ų | 41.3 | 43% | 0.43 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -69.4 | -37.1 | -178.5 | -172 | 55.1 | 176.8 | 168.3 | 4.8 | 112.3 | Y373 F374 Y378 E379 L380 M483 | Y373-R376 PolarHBondContact O-N 3.42Å; F374-R376 PolarHBondContact O-N 3.42Å; R376-Y378 VanDerWaalsContact C-N 3.3Å; R376-Y378 PolarHBondContact O-N 3.25Å; R376-E379 VanDerWaalsContact CD-OE2 3.24Å; R376-E379 WeakPolarHBondContact CD-OE2 3.31Å; R376-E379 IonicContact CZ-OE2 2.9Å; R376-E379 IonicContact NE-OE2 3.54Å; R376-E379 IonicContact NH1-OE2 3Å; R376-E379 PolarHBondContact NH1-OE2 2.84Å; R376-E379 PolarHBondContact O-N 2.89Å; R376-L380 HydrophobicContact CG-CD1 4.38Å; R376-L380 WeakPolarHBondContact O-CB 3.39Å; R376-L380 VanDerWaalsContact O-CG 3.26Å; R376-L380 WeakPolarHBondContact O-CG 3.31Å; R376-L380 PolarHBondContact O-N 3.45Å; R376-M483 HydrophobicContact CB-SD 3.91Å; R376-M483 HydrophobicContact CG-CE 4.27Å; R376-M483 HydrophobicContact CG-SD 3.42Å; R376-M483 WeakPolarHBondContact CG-SD 3.45Å |
| 377 | L | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.1 | -38.6 | 175.4 | -71.1 | 167.3 | 0 | 0 | 0 | 111.2 | Y373 F374 L380 A381 Y453 P471 Y475 T476 L479 M483 | Y373-L377 WeakPolarHBondContact O-CB 3.2Å; Y373-L377 VanDerWaalsContact O-CG 3.25Å; Y373-L377 WeakPolarHBondContact O-CG 3.24Å; Y373-L377 PolarHBondContact O-N 2.99Å; F374-L377 HydrophobicContact CD1-CD1 4.13Å; F374-L377 PolarHBondContact O-N 3.5Å; L377-L380 PolarHBondContact O-N 3.14Å; L377-A381 PolarHBondContact O-N 3.15Å; L377-Y453 WeakPolarHBondContact CB-OH 3.42Å; L377-Y453 PolarHBondContact O-OH 3.13Å; L377-P471 HydrophobicContact CD1-CG 4.15Å; L377-Y475 HydrophobicContact CB-CE1 4.21Å; L377-Y475 HydrophobicContact CD2-CD1 4.42Å; L377-Y475 HydrophobicContact CD2-CE1 4.09Å; L377-Y475 PolarHBondContact O-OH 3.31Å; L377-T476 HydrophobicContact CD1-CG2 3.89Å; L377-L479 HydrophobicContact CD2-CB 3.6Å; L377-L479 HydrophobicContact CD2-CD1 3.69Å; L377-L479 HydrophobicContact CD2-CG 4.28Å; L377-M483 HydrophobicContact CD2-CE 3.77Å; L377-M483 HydrophobicContact CG-CE 4.14Å |
| 378 | Y | 97.9 | Very high | 97 | Very high | 20 Ų | 20 | 37.8 Ų | 37.8 | 8% | 0.078 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.6 | -46.9 | 174.4 | 179.8 | -99.1 | 0 | 0 | 0 | 111.6 | F374 D375 R376 L380 A381 V382 F422 E423 K426 Y453 W467 I469 | F374-Y378 WeakPolarHBondContact O-CB 3.49Å; F374-Y378 PolarHBondContact O-N 2.92Å; D375-Y378 WeakPolarHBondContact O-CB 3.29Å; D375-Y378 PolarHBondContact O-N 3.23Å; R376-Y378 VanDerWaalsContact C-N 3.3Å; R376-Y378 PolarHBondContact O-N 3.25Å; Y378-L380 VanDerWaalsContact C-N 3.28Å; Y378-L380 PolarHBondContact O-N 3.07Å; Y378-A381 WeakPolarHBondContact O-CB 3.43Å; Y378-A381 PolarHBondContact O-N 3.17Å; Y378-V382 HydrophobicContact CD1-CG2 4.22Å; Y378-V382 HydrophobicContact CE1-CG2 3.73Å; Y378-V382 HydrophobicContact CE2-CG2 4.43Å; Y378-V382 WeakPolarHBondContact O-CG2 3.02Å; Y378-V382 PolarHBondContact O-N 3.46Å; Y378-F422 HydrophobicContact CD2-CD1 4.49Å; Y378-F422 AromaticContact CD2-CE1 3.53Å; Y378-F422 HydrophobicContact CD2-CE1 3.53Å; Y378-F422 AromaticContact CD2-CZ 3.77Å; Y378-F422 HydrophobicContact CD2-CZ 3.77Å; Y378-F422 AromaticContact CE2-CD1 3.72Å; Y378-F422 HydrophobicContact CE2-CD1 3.72Å; Y378-F422 AromaticContact CE2-CE1 3.17Å; Y378-F422 HydrophobicContact CE2-CE1 3.17Å; Y378-F422 AromaticContact CE2-CZ 3.68Å; Y378-F422 HydrophobicContact CE2-CZ 3.68Å; Y378-F422 AromaticContact CZ-CE1 3.98Å; Y378-E423 PolarHBondContact OH-OE2 3.43Å; Y378-K426 HydrophobicContact CD2-CD 4.29Å; Y378-K426 HydrophobicContact CE1-CD 3.95Å; Y378-K426 HydrophobicContact CE2-CB 4.24Å; Y378-K426 HydrophobicContact CE2-CD 3.6Å; Y378-K426 HydrophobicContact CE2-CG 4.38Å; Y378-K426 VanDerWaalsContact CZ-CD 3.42Å; Y378-K426 WeakPolarHBondContact OH-CD 3.4Å; Y378-Y453 WeakPolarHBondContact CA-OH 3.43Å; Y378-Y453 PolarHBondContact N-OH 3.08Å; Y378-Y453 VanDerWaalsContact N-OH 3.12Å; Y378-W467 HydrophobicContact CD1-CH2 4.16Å; Y378-W467 HydrophobicContact CD1-CZ3 4.28Å; Y378-W467 HydrophobicContact CD2-CH2 4.33Å; Y378-W467 AromaticContact CD2-CZ3 3.77Å; Y378-W467 HydrophobicContact CD2-CZ3 3.77Å; Y378-W467 HydrophobicContact CE2-CZ3 4.43Å; Y378-W467 AromaticContact CG-CH2 3.77Å; Y378-W467 HydrophobicContact CG-CH2 3.77Å; Y378-W467 AromaticContact CG-CZ3 3.68Å; Y378-W467 HydrophobicContact CG-CZ3 3.68Å; Y378-I469 HydrophobicContact CD2-CD1 3.99Å; Y378-I469 HydrophobicContact CE2-CD1 3.89Å |
| 379 | E | 98 | Very high | 97 | Very high | 99 Ų | 99 | 41 Ų | 41 | 46% | 0.463 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.2 | -42.6 | 175.5 | -71.4 | 171.9 | -175.5 | 0 | 0 | 112.1 | D375 R376 A381 V382 E383 | D375-E379 WeakPolarHBondContact O-CG 3.27Å; D375-E379 PolarHBondContact O-N 2.92Å; R376-E379 VanDerWaalsContact CD-OE2 3.24Å; R376-E379 WeakPolarHBondContact CD-OE2 3.31Å; R376-E379 IonicContact CZ-OE2 2.9Å; R376-E379 IonicContact NE-OE2 3.54Å; R376-E379 IonicContact NH1-OE2 3Å; R376-E379 PolarHBondContact NH1-OE2 2.84Å; R376-E379 PolarHBondContact O-N 2.89Å; E379-A381 VanDerWaalsContact C-N 3.3Å; E379-A381 PolarHBondContact O-N 3Å; E379-V382 PolarHBondContact O-N 3.12Å; E379-E383 PolarHBondContact O-N 3.38Å |
| 380 | L | 98.1 | Very high | 97.1 | Very high | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.4 | -32 | 175.7 | -70.1 | 172.9 | 0 | 0 | 0 | 112.2 | R376 L377 Y378 E383 L384 Y475 L479 M483 L509 L511 | R376-L380 HydrophobicContact CG-CD1 4.38Å; R376-L380 WeakPolarHBondContact O-CB 3.39Å; R376-L380 VanDerWaalsContact O-CG 3.26Å; R376-L380 WeakPolarHBondContact O-CG 3.31Å; R376-L380 PolarHBondContact O-N 3.45Å; L377-L380 PolarHBondContact O-N 3.14Å; Y378-L380 VanDerWaalsContact C-N 3.28Å; Y378-L380 PolarHBondContact O-N 3.07Å; L380-E383 PolarHBondContact O-N 3.01Å; L380-L384 WeakPolarHBondContact O-CB 3.48Å; L380-L384 PolarHBondContact O-N 2.88Å; L380-Y475 VanDerWaalsContact C-OH 3.26Å; L380-L479 HydrophobicContact CB-CD1 4.45Å; L380-L479 HydrophobicContact CD1-CD1 4.04Å; L380-L479 HydrophobicContact CD1-CD2 4.27Å; L380-M483 HydrophobicContact CD1-CE 4.19Å; L380-L509 HydrophobicContact CB-CD1 4.09Å; L380-L509 HydrophobicContact CD2-CD1 4.33Å; L380-L509 HydrophobicContact CD2-CD2 4.4Å; L380-L509 WeakPolarHBondContact O-CD2 3.49Å; L380-L511 HydrophobicContact CD1-CD1 3.85Å; L380-L511 HydrophobicContact CD2-CD1 3.97Å; L380-L511 HydrophobicContact CD2-CD2 4.34Å |
| 381 | A | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.1 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L377 Y378 E379 E383 L384 I385 F422 L437 Y453 Y475 | L377-A381 PolarHBondContact O-N 3.15Å; Y378-A381 WeakPolarHBondContact O-CB 3.43Å; Y378-A381 PolarHBondContact O-N 3.17Å; E379-A381 VanDerWaalsContact C-N 3.3Å; E379-A381 PolarHBondContact O-N 3Å; A381-E383 VanDerWaalsContact C-N 3.31Å; A381-E383 PolarHBondContact O-N 3.04Å; A381-L384 WeakPolarHBondContact O-CB 3.01Å; A381-L384 PolarHBondContact O-N 3.04Å; A381-I385 VanDerWaalsContact O-CG1 3.31Å; A381-I385 WeakPolarHBondContact O-CG1 3.13Å; A381-I385 PolarHBondContact O-N 3.36Å; A381-F422 HydrophobicContact CB-CE1 3.72Å; A381-F422 HydrophobicContact CB-CZ 3.84Å; A381-L437 HydrophobicContact CB-CD2 3.82Å; A381-Y453 HydrophobicContact CB-CD2 4.24Å; A381-Y453 HydrophobicContact CB-CE2 3.73Å; A381-Y475 WeakPolarHBondContact CA-OH 3.03Å; A381-Y475 WeakPolarHBondContact CB-OH 3.41Å; A381-Y475 PolarHBondContact N-OH 3.49Å |
| 382 | V | 98.1 | Very high | 97.4 | Very high | 28 Ų | 28 | 39.6 Ų | 39.6 | 17% | 0.17 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.5 | -44.6 | 171.8 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | Y378 E379 I385 K386 L419 F422 | Y378-V382 HydrophobicContact CD1-CG2 4.22Å; Y378-V382 HydrophobicContact CE1-CG2 3.73Å; Y378-V382 HydrophobicContact CE2-CG2 4.43Å; Y378-V382 WeakPolarHBondContact O-CG2 3.02Å; Y378-V382 PolarHBondContact O-N 3.46Å; E379-V382 PolarHBondContact O-N 3.12Å; V382-I385 PolarHBondContact O-N 3.41Å; V382-K386 HydrophobicContact CG1-CD 4.25Å; V382-K386 WeakPolarHBondContact O-CG 3.43Å; V382-K386 PolarHBondContact O-N 3.04Å; V382-L419 HydrophobicContact CG1-CD2 3.87Å; V382-F422 HydrophobicContact CG2-CD1 4.21Å; V382-F422 HydrophobicContact CG2-CE1 4.25Å |
| 383 | E | 97.7 | Very high | 97.3 | Very high | 65 Ų | 65 | 36 Ų | 36 | 30% | 0.304 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.4 | -40 | 176.1 | -176.8 | 61.2 | -166.6 | 0 | 0 | 112.2 | E379 L380 A381 I385 K386 R387 L509 | E379-E383 PolarHBondContact O-N 3.38Å; L380-E383 PolarHBondContact O-N 3.01Å; A381-E383 VanDerWaalsContact C-N 3.31Å; A381-E383 PolarHBondContact O-N 3.04Å; E383-I385 VanDerWaalsContact C-N 3.31Å; E383-I385 PolarHBondContact O-N 2.88Å; E383-K386 PolarHBondContact O-N 3.39Å; E383-R387 WeakPolarHBondContact O-CG 3.39Å; E383-R387 PolarHBondContact O-N 3.23Å; E383-R387 IonicContact OE1-CZ 2.74Å; E383-R387 IonicContact OE1-NE 2.79Å; E383-R387 PolarHBondContact OE1-NE 3.26Å; E383-R387 IonicContact OE1-NH2 3.68Å; E383-R387 PolarHBondContact OE1-NH2 2.97Å; E383-L509 HydrophobicContact CB-CD2 4.14Å; E383-L509 HydrophobicContact CG-CD2 3.99Å |
| 384 | L | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.1 | -40.2 | 176.4 | -166.2 | 66.6 | 0 | 0 | 0 | 111.8 | L380 A381 R387 G388 H389 A390 M439 Y475 W504 L505 V508 L509 | L380-L384 WeakPolarHBondContact O-CB 3.48Å; L380-L384 PolarHBondContact O-N 2.88Å; A381-L384 WeakPolarHBondContact O-CB 3.01Å; A381-L384 PolarHBondContact O-N 3.04Å; L384-R387 PolarHBondContact O-N 2.92Å; L384-G388 PolarHBondContact O-N 2.98Å; L384-H389 HydrophobicContact CD1-CB 3.57Å; L384-H389 HydrophobicContact CG-CB 3.99Å; L384-H389 WeakPolarHBondContact O-CA 3.22Å; L384-H389 PolarHBondContact O-N 3.23Å; L384-A390 HydrophobicContact CB-CB 4.19Å; L384-A390 HydrophobicContact CD2-CB 3.74Å; L384-A390 HydrophobicContact CG-CB 3.75Å; L384-A390 PolarHBondContact O-N 3.31Å; L384-M439 HydrophobicContact CD2-CG 4.07Å; L384-Y475 HydrophobicContact CD2-CE2 4.18Å; L384-W504 HydrophobicContact CD1-CH2 4.25Å; L384-L505 HydrophobicContact CD1-CD1 4.33Å; L384-L505 HydrophobicContact CD2-CD1 4.02Å; L384-V508 HydrophobicContact CD1-CG1 3.46Å; L384-V508 VanDerWaalsContact CD1-CG1 3.46Å; L384-V508 HydrophobicContact CD1-CG2 4.35Å; L384-L509 HydrophobicContact CB-CD2 4.13Å; L384-L509 HydrophobicContact CD1-CD2 4.16Å; L384-L509 HydrophobicContact CD1-CG 4.17Å |
| 385 | I | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.5 | -46.1 | 174.5 | -60.5 | 162.9 | 0 | 0 | 0 | 110.5 | A381 V382 E383 R387 G388 A390 I415 L419 F422 L437 | A381-I385 VanDerWaalsContact O-CG1 3.31Å; A381-I385 WeakPolarHBondContact O-CG1 3.13Å; A381-I385 PolarHBondContact O-N 3.36Å; V382-I385 PolarHBondContact O-N 3.41Å; E383-I385 VanDerWaalsContact C-N 3.31Å; E383-I385 PolarHBondContact O-N 2.88Å; I385-R387 PolarHBondContact O-N 3.36Å; I385-G388 WeakPolarHBondContact O-CA 3.32Å; I385-G388 PolarHBondContact O-N 3.41Å; I385-A390 HydrophobicContact CG1-CB 3.86Å; I385-I415 HydrophobicContact CG2-CG2 4.38Å; I385-L419 HydrophobicContact CB-CD2 3.89Å; I385-L419 HydrophobicContact CB-CG 4.38Å; I385-L419 HydrophobicContact CD1-CD2 4.24Å; I385-L419 HydrophobicContact CG2-CD2 3.78Å; I385-L419 HydrophobicContact CG2-CG 3.72Å; I385-F422 HydrophobicContact CD1-CB 3.8Å; I385-F422 HydrophobicContact CD1-CD1 3.67Å; I385-F422 HydrophobicContact CD1-CE1 4.43Å; I385-F422 HydrophobicContact CD1-CG 3.82Å; I385-L437 HydrophobicContact CD1-CD1 3.61Å; I385-L437 HydrophobicContact CD1-CD2 4.4Å; I385-L437 HydrophobicContact CG1-CD1 3.8Å |
| 386 | K | 97.8 | Very high | 96.4 | Very high | 115 Ų | 115 | 39.8 Ų | 39.8 | 50% | 0.5 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.1 | -32.3 | 178.1 | -75.4 | 174 | -179.4 | 176 | 0 | 113.2 | V382 E383 G388 L419 | V382-K386 HydrophobicContact CG1-CD 4.25Å; V382-K386 WeakPolarHBondContact O-CG 3.43Å; V382-K386 PolarHBondContact O-N 3.04Å; E383-K386 PolarHBondContact O-N 3.39Å; K386-G388 VanDerWaalsContact C-N 3.25Å; K386-G388 PolarHBondContact O-N 2.92Å; K386-L419 HydrophobicContact CG-CD1 3.94Å; K386-L419 HydrophobicContact CG-CD2 4.25Å |
| 387 | R | 96.7 | Very high | 95.7 | Very high | 85 Ų | 85 | 37.3 Ų | 37.3 | 32% | 0.321 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -0 | 174.9 | -63.3 | 175.5 | -174.6 | -141.8 | -4.8 | 113.5 | E383 L384 I385 H389 V508 D510 | E383-R387 WeakPolarHBondContact O-CG 3.39Å; E383-R387 PolarHBondContact O-N 3.23Å; E383-R387 IonicContact OE1-CZ 2.74Å; E383-R387 IonicContact OE1-NE 2.79Å; E383-R387 PolarHBondContact OE1-NE 3.26Å; E383-R387 IonicContact OE1-NH2 3.68Å; E383-R387 PolarHBondContact OE1-NH2 2.97Å; L384-R387 PolarHBondContact O-N 2.92Å; I385-R387 PolarHBondContact O-N 3.36Å; R387-H389 VanDerWaalsContact C-N 3.29Å; R387-H389 PolarHBondContact O-CD2 2.99Å; R387-H389 PolarHBondContact O-N 2.84Å; R387-V508 WeakPolarHBondContact CD-O 3.28Å; R387-V508 PolarHBondContact NH1-O 2.91Å; R387-D510 IonicContact CZ-OD2 2.74Å; R387-D510 IonicContact NH1-OD2 2.68Å; R387-D510 PolarHBondContact NH1-OD2 2.9Å; R387-D510 IonicContact NH2-OD2 3.93Å |
| 388 | G | 96.3 | Very high | 94.8 | Very high | 28 Ų | 28 | 43 Ų | 43 | 29% | 0.289 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74 | 17.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L384 I385 K386 | L384-G388 PolarHBondContact O-N 2.98Å; I385-G388 WeakPolarHBondContact O-CA 3.32Å; I385-G388 PolarHBondContact O-N 3.41Å; K386-G388 VanDerWaalsContact C-N 3.25Å; K386-G388 PolarHBondContact O-N 2.92Å |
| 389 | H | 96.9 | Very high | 94 | Very high | 68 Ų | 68 | 46.6 Ų | 46.6 | 32% | 0.315 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -105 | 4.8 | -176.6 | -67.2 | -60.6 | 0 | 0 | 0 | 113.7 | L384 R387 M439 K440 W504 V508 | L384-H389 HydrophobicContact CD1-CB 3.57Å; L384-H389 HydrophobicContact CG-CB 3.99Å; L384-H389 WeakPolarHBondContact O-CA 3.22Å; L384-H389 PolarHBondContact O-N 3.23Å; R387-H389 VanDerWaalsContact C-N 3.29Å; R387-H389 PolarHBondContact O-CD2 2.99Å; R387-H389 PolarHBondContact O-N 2.84Å; H389-M439 CarbonylContact O-C 3.59Å; H389-K440 PolarHBondContact O-N 3.18Å; H389-W504 HydrophobicContact CB-CH2 4.34Å; H389-W504 HydrophobicContact CB-CZ2 4.18Å; H389-V508 HydrophobicContact CB-CG2 3.97Å; H389-V508 WeakPolarHBondContact CD2-CG2 3.41Å; H389-V508 WeakPolarHBondContact NE2-CG2 3.1Å |
| 390 | A | 97.3 | Very high | 93 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 154 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L384 I385 L437 R438 | L384-A390 HydrophobicContact CB-CB 4.19Å; L384-A390 HydrophobicContact CD2-CB 3.74Å; L384-A390 HydrophobicContact CG-CB 3.75Å; L384-A390 PolarHBondContact O-N 3.31Å; I385-A390 HydrophobicContact CG1-CB 3.86Å; A390-L437 HydrophobicContact CB-CD1 4.09Å; A390-L437 HydrophobicContact CB-CG 4.31Å; A390-R438 CarbonylContact C-O 3.47Å; A390-R438 WeakPolarHBondContact CA-O 3.35Å; A390-R438 WeakPolarHBondContact CB-O 3.34Å |
| 391 | Y | 97.5 | Very high | 91.7 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 153.4 | 179.9 | 66.9 | -80.6 | 0 | 0 | 0 | 110.2 | C393 S408 W410 R411 R438 K440 D449 | Y391-C393 HydrophobicContact CD2-CB 4.32Å; Y391-C393 HydrophobicContact CE2-CB 3.83Å; Y391-S408 WeakPolarHBondContact CE2-OG 3.32Å; Y391-S408 WeakPolarHBondContact OH-CB 3.49Å; Y391-W410 HydrophobicContact CD2-CB 4.42Å; Y391-W410 VanDerWaalsContact CD2-O 3.31Å; Y391-W410 WeakPolarHBondContact CD2-O 3.13Å; Y391-R411 HydrophobicContact CD1-CG 4.46Å; Y391-R411 HydrophobicContact CE1-CB 4.31Å; Y391-R411 HydrophobicContact CE1-CG 3.91Å; Y391-R411 HydrophobicContact CE2-CB 4.24Å; Y391-R438 HydrophobicContact CE1-CB 4Å; Y391-R438 HydrophobicContact CE2-CB 4.44Å; Y391-R438 PolarHBondContact N-O 3.14Å; Y391-R438 PolarHBondContact O-N 3.09Å; Y391-K440 HydrophobicContact CD1-CB 4.25Å; Y391-K440 HydrophobicContact CE1-CB 4.4Å; Y391-D449 HydrophobicContact CE1-CB 4.14Å; Y391-D449 WeakPolarHBondContact OH-CB 3.35Å; Y391-D449 PolarHBondContact OH-OD2 3.39Å |
| 392 | V | 97.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 137.4 | 174.3 | 175.1 | 0 | 0 | 0 | 0 | 109.5 | R413 S418 L421 F422 M425 A435 T436 L437 | V392-R413 PolarHBondContact O-NE 3.49Å; V392-R413 PolarHBondContact O-NH1 3.07Å; V392-S418 WeakPolarHBondContact CG2-O 3.33Å; V392-L421 HydrophobicContact CB-CB 4.09Å; V392-L421 HydrophobicContact CG1-CB 4.05Å; V392-L421 HydrophobicContact CG2-CB 4.13Å; V392-F422 HydrophobicContact CG2-CB 3.81Å; V392-M425 HydrophobicContact CB-SD 4.46Å; V392-M425 HydrophobicContact CG1-SD 3.71Å; V392-M425 HydrophobicContact CG2-SD 3.91Å; V392-A435 HydrophobicContact CG1-CB 4.1Å; V392-T436 CarbonylContact C-O 3.53Å; V392-T436 WeakPolarHBondContact CA-O 3.47Å; V392-L437 HydrophobicContact CG2-CD1 4.05Å |
| 393 | C | 95.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 137 | -174.9 | 177.6 | 0 | 0 | 0 | 0 | 110.3 | Y391 Q395 S408 A435 T436 R438 | Y391-C393 HydrophobicContact CD2-CB 4.32Å; Y391-C393 HydrophobicContact CE2-CB 3.83Å; C393-Q395 VanDerWaalsContact SG-CB 3.59Å; C393-Q395 PolarHBondContact SG-N 3.42Å; C393-Q395 VanDerWaalsContact SG-N 3.38Å; C393-Q395 PolarHBondContact SG-OE1 3.29Å; C393-S408 PolarHBondContact SG-OG 3.02Å; C393-A435 CarbonylContact O-C 3.57Å; C393-A435 WeakPolarHBondContact O-CA 3.32Å; C393-T436 PolarHBondContact N-O 2.65Å; C393-T436 PolarHBondContact O-N 3.39Å; C393-T436 PolarHBondContact O-OG1 2.93Å; C393-R438 VanDerWaalsContact CB-CD 3.42Å; C393-R438 HydrophobicContact CB-CG 3.9Å |
| 394 | H | 94.6 | Very high | 87.1 | Confident | 51 Ų | 51 | 59 Ų | 59 | 24% | 0.236 | 30% | 0.3 | C | S | . | . | trans | -103.8 | 8.5 | 177.5 | -57.1 | -73.9 | 0 | 0 | 0 | 113.4 | K396 W410 R413 F430 G434 | H394-K396 PolarHBondContact O-N 2.96Å; H394-W410 HydrophobicContact CB-CE3 4.34Å; H394-W410 HydrophobicContact CB-CH2 3.81Å; H394-W410 HydrophobicContact CB-CZ2 4.12Å; H394-W410 HydrophobicContact CB-CZ3 3.93Å; H394-R413 PolarHBondContact CD2-NH2 3.1Å; H394-R413 VanDerWaalsContact CD2-NH2 3.25Å; H394-R413 PolarHBondContact NE2-NH2 3.41Å; H394-F430 AromaticContact CE1-CE1 3.86Å; H394-G434 PolarHBondContact ND1-O 3.44Å | ||
| 395 | Q | 90.6 | Very high | 85.8 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.047 | 31% | 0.31 | C | S | . | . | trans | -61.9 | 134.9 | 171.8 | -69.9 | 179 | -70.8 | 0 | 0 | 109.6 | C393 E399 I400 P406 S408 W410 | C393-Q395 VanDerWaalsContact SG-CB 3.59Å; C393-Q395 PolarHBondContact SG-N 3.42Å; C393-Q395 VanDerWaalsContact SG-N 3.38Å; C393-Q395 PolarHBondContact SG-OE1 3.29Å; Q395-E399 WeakPolarHBondContact CA-OE2 3.45Å; Q395-E399 HydrophobicContact CB-CB 4.31Å; Q395-E399 WeakPolarHBondContact CB-OE2 3.37Å; Q395-I400 HydrophobicContact CB-CD1 3.94Å; Q395-I400 HydrophobicContact CB-CG1 3.78Å; Q395-P406 PolarHBondContact NE2-O 2.86Å; Q395-S408 VanDerWaalsContact OE1-CA 3.27Å; Q395-S408 PolarHBondContact OE1-OG 2.94Å; Q395-W410 HydrophobicContact CG-CE3 4.31Å; Q395-W410 HydrophobicContact CG-CZ3 3.78Å | ||
| 396 | K | 86.1 | Confident | 84.7 | Confident | 136 Ų | 136 | 64.5 Ų | 64.5 | 59% | 0.591 | 34% | 0.336 | S | S | * | . | trans | -69.6 | 156.4 | 175.2 | -66.9 | -179 | -179.8 | 177.4 | 0 | 110 | H394 D398 E399 I400 | H394-K396 PolarHBondContact O-N 2.96Å; K396-D398 PolarHBondContact O-N 3.3Å; K396-D398 VanDerWaalsContact O-N 3.1Å; K396-E399 HydrophobicContact CB-CG 4.23Å; K396-E399 PolarHBondContact N-OE2 2.9Å; K396-E399 WeakPolarHBondContact O-CB 3.38Å; K396-E399 PolarHBondContact O-N 3.5Å; K396-I400 PolarHBondContact O-N 3.41Å | ||
| 397 | A | 81.7 | Confident | 84 | Confident | 63 Ų | 63 | 63.7 Ų | 63.7 | 52% | 0.521 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -54.8 | -33.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | I400 K401 | A397-I400 PolarHBondContact O-N 3.3Å; A397-K401 VanDerWaalsContact O-CG 3.3Å; A397-K401 WeakPolarHBondContact O-CG 3.14Å; A397-K401 PolarHBondContact O-N 3.18Å |
| 398 | D | 80.8 | Confident | 83.7 | Confident | 120 Ų | 120 | 60 Ų | 60 | 64% | 0.642 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -77.5 | -19.4 | 179.9 | -58.9 | -31 | 0 | 0 | 0 | 113.4 | K396 I400 K401 | K396-D398 PolarHBondContact O-N 3.3Å; K396-D398 VanDerWaalsContact O-N 3.1Å; D398-I400 VanDerWaalsContact C-N 3.34Å; D398-K401 IonicContact OD1-NZ 2.92Å; D398-K401 PolarHBondContact OD1-NZ 3.24Å |
| 399 | E | 79.5 | Confident | 83.4 | Confident | 94 Ų | 94 | 63.5 Ų | 63.5 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -83 | -15.6 | 174.4 | -62.5 | 169 | 172.5 | 0 | 0 | 112.3 | Q395 K396 | Q395-E399 WeakPolarHBondContact CA-OE2 3.45Å; Q395-E399 HydrophobicContact CB-CB 4.31Å; Q395-E399 WeakPolarHBondContact CB-OE2 3.37Å; K396-E399 HydrophobicContact CB-CG 4.23Å; K396-E399 PolarHBondContact N-OE2 2.9Å; K396-E399 WeakPolarHBondContact O-CB 3.38Å; K396-E399 PolarHBondContact O-N 3.5Å |
| 400 | I | 77.8 | Confident | 83.2 | Confident | 37 Ų | 37 | 64.3 Ų | 64.3 | 19% | 0.19 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -99.7 | -21.3 | -179.7 | -55.6 | 168.9 | 0 | 0 | 0 | 111 | Q395 K396 A397 D398 P405 | Q395-I400 HydrophobicContact CB-CD1 3.94Å; Q395-I400 HydrophobicContact CB-CG1 3.78Å; K396-I400 PolarHBondContact O-N 3.41Å; A397-I400 PolarHBondContact O-N 3.3Å; D398-I400 VanDerWaalsContact C-N 3.34Å; I400-P405 WeakPolarHBondContact O-CG 3.22Å |
| 401 | K | 71 | Confident | 83 | Confident | 138 Ų | 138 | 67.4 Ų | 67.4 | 60% | 0.6 | 36% | 0.358 | S | S | * | . | trans | -74.8 | 147.2 | 174.2 | -73.1 | 169.2 | -164.7 | 162.8 | 0 | 109.8 | A397 D398 | A397-K401 VanDerWaalsContact O-CG 3.3Å; A397-K401 WeakPolarHBondContact O-CG 3.14Å; A397-K401 PolarHBondContact O-N 3.18Å; D398-K401 IonicContact OD1-NZ 2.92Å; D398-K401 PolarHBondContact OD1-NZ 3.24Å | ||
| 402 | G | 67.4 | Low | 82.8 | Confident | 45 Ų | 45 | 73.3 Ų | 73.3 | 46% | 0.464 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 124.2 | 171.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 403 | Y | 63.3 | Low | 82.7 | Confident | 134 Ų | 134 | 74.6 Ų | 74.6 | 53% | 0.525 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -78.6 | -29 | -179 | -121.8 | -90.5 | 0 | 0 | 0 | 113.5 | P130 | P130-Y403 HydrophobicContact CB-CD1 3.59Å; P130-Y403 HydrophobicContact CB-CD2 3.37Å; P130-Y403 HydrophobicContact CB-CE1 3.59Å; P130-Y403 HydrophobicContact CB-CE2 3.35Å; P130-Y403 HydrophobicContact CB-CG 3.49Å; P130-Y403 VanDerWaalsContact CB-CG 3.49Å; P130-Y403 VanDerWaalsContact CB-CZ 3.46Å; P130-Y403 HydrophobicContact CG-CD1 3.83Å; P130-Y403 HydrophobicContact CG-CD2 4.25Å; P130-Y403 HydrophobicContact CG-CE1 3.38Å; P130-Y403 HydrophobicContact CG-CE2 3.84Å; P130-Y403 HydrophobicContact CG-CG 4.24Å |
| 404 | N | 67.2 | Low | 82.7 | Confident | 106 Ų | 106 | 78 Ų | 78 | 57% | 0.567 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -136.9 | 73.6 | 175.1 | -98.1 | -12 | 0 | 0 | 0 | 111.4 | E131 | E131-N404 HydrophobicContact CG-CB 3.9Å; E131-N404 PolarHBondContact OE1-ND2 3.2Å; E131-N404 PolarHBondContact OE2-ND2 3.45Å |
| 405 | P | 70 | Confident | 82.8 | Confident | 31 Ų | 31 | 78.6 Ų | 78.6 | 20% | 0.201 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 139.3 | 172.5 | 27.3 | -34 | 0 | 0 | 0 | 109.6 | I400 | I400-P405 WeakPolarHBondContact O-CG 3.22Š|
| 406 | P | 74.6 | Confident | 83.1 | Confident | 84 Ų | 84 | 84.7 Ų | 84.7 | 55% | 0.545 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 143.3 | 176.6 | 24.2 | -32.9 | 0 | 0 | 0 | 109.9 | Q395 S408 | Q395-P406 PolarHBondContact NE2-O 2.86Å; P406-S408 PolarHBondContact O-N 2.87Å |
| 407 | P | 83.3 | Confident | 83.6 | Confident | 99 Ų | 99 | 82.4 Ų | 82.4 | 64% | 0.643 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 141 | 177.9 | 25.3 | -33.9 | 0 | 0 | 0 | 108.9 | P409 | P407-P409 WeakPolarHBondContact O-CD 3.29Š|
| 408 | S | 88.9 | Confident | 84.4 | Confident | 8 Ų | 8 | 79.5 Ų | 79.5 | 6% | 0.056 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -59 | 128.1 | -178.7 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | Y391 C393 Q395 P406 W410 R411 | Y391-S408 WeakPolarHBondContact CE2-OG 3.32Å; Y391-S408 WeakPolarHBondContact OH-CB 3.49Å; C393-S408 PolarHBondContact SG-OG 3.02Å; Q395-S408 VanDerWaalsContact OE1-CA 3.27Å; Q395-S408 PolarHBondContact OE1-OG 2.94Å; P406-S408 PolarHBondContact O-N 2.87Å; S408-W410 PolarHBondContact O-N 3.34Å; S408-W410 PolarHBondContact OG-N 3.01Å; S408-R411 VanDerWaalsContact O-CB 3.3Å; S408-R411 WeakPolarHBondContact O-CB 3.21Å; S408-R411 PolarHBondContact O-N 2.79Å |
| 409 | P | 90.1 | Very high | 85.1 | Confident | 101 Ų | 101 | 76 Ų | 76 | 66% | 0.656 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -17.7 | 174.7 | -25.7 | 34.4 | 0 | 0 | 0 | 113.5 | P407 | P407-P409 WeakPolarHBondContact O-CD 3.29Š|
| 410 | W | 93.7 | Very high | 86 | Confident | 85 Ų | 85 | 74.8 Ų | 74.8 | 32% | 0.322 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 5.1 | -175.6 | -60.8 | -66.2 | 0 | 0 | 0 | 113.9 | Y391 H394 Q395 S408 D412 R413 | Y391-W410 HydrophobicContact CD2-CB 4.42Å; Y391-W410 VanDerWaalsContact CD2-O 3.31Å; Y391-W410 WeakPolarHBondContact CD2-O 3.13Å; H394-W410 HydrophobicContact CB-CE3 4.34Å; H394-W410 HydrophobicContact CB-CH2 3.81Å; H394-W410 HydrophobicContact CB-CZ2 4.12Å; H394-W410 HydrophobicContact CB-CZ3 3.93Å; Q395-W410 HydrophobicContact CG-CE3 4.31Å; Q395-W410 HydrophobicContact CG-CZ3 3.78Å; S408-W410 PolarHBondContact O-N 3.34Å; S408-W410 PolarHBondContact OG-N 3.01Å; W410-D412 PolarHBondContact O-N 3.32Å; W410-D412 VanDerWaalsContact O-N 3.17Å; W410-R413 VanDerWaalsContact O-CG 3.28Å; W410-R413 WeakPolarHBondContact O-CG 3.26Å; W410-R413 PolarHBondContact O-N 3.42Å; W410-R413 VanDerWaalsContact O-N 3.15Å |
| 411 | R | 93.1 | Very high | 86.9 | Confident | 70 Ų | 70 | 74.3 Ų | 74.3 | 26% | 0.264 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -29.5 | -176 | -172.1 | 175.6 | -169 | -94 | 0.1 | 114.2 | Y391 S408 K440 D449 | Y391-R411 HydrophobicContact CD1-CG 4.46Å; Y391-R411 HydrophobicContact CE1-CB 4.31Å; Y391-R411 HydrophobicContact CE1-CG 3.91Å; Y391-R411 HydrophobicContact CE2-CB 4.24Å; S408-R411 VanDerWaalsContact O-CB 3.3Å; S408-R411 WeakPolarHBondContact O-CB 3.21Å; S408-R411 PolarHBondContact O-N 2.79Å; R411-K440 HydrophobicContact CG-CD 4.38Å; R411-K440 HydrophobicContact CG-CG 4.36Å; R411-K440 PolarHBondContact O-NZ 3.29Å; R411-D449 WeakPolarHBondContact CD-OD2 3.28Å; R411-D449 IonicContact CZ-OD2 3.34Å; R411-D449 IonicContact NE-OD1 3.68Å; R411-D449 IonicContact NE-OD2 2.63Å; R411-D449 PolarHBondContact NE-OD2 3Å; R411-D449 IonicContact NH2-OD1 2.81Å |
| 412 | D | 92.5 | Very high | 88.2 | Confident | 127 Ų | 127 | 67.8 Ų | 67.8 | 68% | 0.679 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | 18.5 | -178.1 | -61 | -46.5 | 0 | 0 | 0 | 113 | W410 K440 | W410-D412 PolarHBondContact O-N 3.32Å; W410-D412 VanDerWaalsContact O-N 3.17Å; D412-K440 IonicContact OD1-NZ 3.89Å; D412-K440 PolarHBondContact OD1-NZ 2.96Å |
| 413 | R | 94.8 | Very high | 89.7 | Confident | 27 Ų | 27 | 69 Ų | 69 | 10% | 0.102 | 36% | 0.363 | C | S | . | . | trans | -61.8 | 151 | 174 | 72.6 | 171.1 | 48.5 | 168.3 | -5.3 | 111.2 | V392 H394 W410 E417 S418 | V392-R413 PolarHBondContact O-NE 3.49Å; V392-R413 PolarHBondContact O-NH1 3.07Å; H394-R413 PolarHBondContact CD2-NH2 3.1Å; H394-R413 VanDerWaalsContact CD2-NH2 3.25Å; H394-R413 PolarHBondContact NE2-NH2 3.41Å; W410-R413 VanDerWaalsContact O-CG 3.28Å; W410-R413 WeakPolarHBondContact O-CG 3.26Å; W410-R413 PolarHBondContact O-N 3.42Å; W410-R413 VanDerWaalsContact O-N 3.15Å; R413-E417 IonicContact CZ-OE1 2.69Å; R413-E417 IonicContact NE-OE1 3.98Å; R413-S418 WeakPolarHBondContact CD-OG 3.37Å; R413-S418 WeakPolarHBondContact CG-OG 3.47Å | ||
| 414 | P | 96 | Very high | 91.3 | Very high | 73 Ų | 73 | 64.5 Ų | 64.5 | 47% | 0.474 | 35% | 0.348 | S | S | . | . | trans | -52.9 | 150 | 175.7 | -26.5 | 35 | 0 | 0 | 0 | 113.4 | E416 E417 S418 | P414-E416 VanDerWaalsContact C-N 3.33Å; P414-E416 PolarHBondContact O-N 3.45Å; P414-E417 HydrophobicContact CB-CB 4.28Å; P414-E417 WeakPolarHBondContact CD-OE2 3.39Å; P414-E417 PolarHBondContact O-N 3.47Å; P414-S418 PolarHBondContact O-N 2.91Å; P414-S418 VanDerWaalsContact O-N 3.09Å; P414-S418 PolarHBondContact O-OG 3.31Å | ||
| 415 | I | 96.5 | Very high | 92.7 | Very high | 62 Ų | 62 | 59.5 Ų | 59.5 | 32% | 0.318 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | -179.4 | -70 | 172.2 | 0 | 0 | 0 | 110.2 | I385 E417 S418 L419 | I385-I415 HydrophobicContact CG2-CG2 4.38Å; I415-E417 VanDerWaalsContact C-N 3.31Å; I415-E417 PolarHBondContact O-N 3.47Å; I415-S418 PolarHBondContact O-N 3.07Å; I415-L419 HydrophobicContact CG2-CD1 4.01Å; I415-L419 HydrophobicContact CG2-CG 4.42Å; I415-L419 WeakPolarHBondContact O-CG 3.48Å; I415-L419 PolarHBondContact O-N 3.3Å |
| 416 | E | 96.9 | Very high | 93.9 | Very high | 139 Ų | 139 | 60.9 Ų | 60.9 | 65% | 0.65 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.7 | -40.3 | -179.6 | -63.4 | 71.5 | -157.7 | 0 | 0 | 111.4 | P414 L419 S420 | P414-E416 VanDerWaalsContact C-N 3.33Å; P414-E416 PolarHBondContact O-N 3.45Å; E416-L419 PolarHBondContact O-N 3.2Å; E416-S420 PolarHBondContact O-N 3.24Å |
| 417 | E | 97.1 | Very high | 95 | Very high | 87 Ų | 87 | 61.5 Ų | 61.5 | 41% | 0.407 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 175.9 | -170.5 | -172.9 | 150.7 | 0 | 0 | 110.9 | R413 P414 I415 L419 S420 L421 | R413-E417 IonicContact CZ-OE1 2.69Å; R413-E417 IonicContact NE-OE1 3.98Å; P414-E417 HydrophobicContact CB-CB 4.28Å; P414-E417 WeakPolarHBondContact CD-OE2 3.39Å; P414-E417 PolarHBondContact O-N 3.47Å; I415-E417 VanDerWaalsContact C-N 3.31Å; I415-E417 PolarHBondContact O-N 3.47Å; E417-L419 VanDerWaalsContact C-N 3.33Å; E417-L419 PolarHBondContact O-N 3.4Å; E417-S420 PolarHBondContact O-N 3.37Å; E417-L421 HydrophobicContact CG-CD1 3.84Å; E417-L421 WeakPolarHBondContact O-CB 3.42Å; E417-L421 WeakPolarHBondContact O-CD1 3.46Å; E417-L421 VanDerWaalsContact O-CG 3.25Å; E417-L421 WeakPolarHBondContact O-CG 3.44Å; E417-L421 PolarHBondContact O-N 3.39Å |
| 418 | S | 97.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 175.5 | -68.5 | 0 | 0 | 0 | 0 | 112.8 | V392 R413 P414 I415 F422 | V392-S418 WeakPolarHBondContact CG2-O 3.33Å; R413-S418 WeakPolarHBondContact CD-OG 3.37Å; R413-S418 WeakPolarHBondContact CG-OG 3.47Å; P414-S418 PolarHBondContact O-N 2.91Å; P414-S418 VanDerWaalsContact O-N 3.09Å; P414-S418 PolarHBondContact O-OG 3.31Å; I415-S418 PolarHBondContact O-N 3.07Å; S418-F422 VanDerWaalsContact O-CB 3.3Å; S418-F422 WeakPolarHBondContact O-CB 3.25Å; S418-F422 PolarHBondContact O-N 2.87Å |
| 419 | L | 97.5 | Very high | 95.8 | Very high | 46 Ų | 46 | 63.2 Ų | 63.2 | 24% | 0.241 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65 | -47.4 | 177 | -76.1 | 172 | 0 | 0 | 0 | 111.7 | V382 I385 K386 I415 E416 E417 L421 F422 E423 | V382-L419 HydrophobicContact CG1-CD2 3.87Å; I385-L419 HydrophobicContact CB-CD2 3.89Å; I385-L419 HydrophobicContact CB-CG 4.38Å; I385-L419 HydrophobicContact CD1-CD2 4.24Å; I385-L419 HydrophobicContact CG2-CD2 3.78Å; I385-L419 HydrophobicContact CG2-CG 3.72Å; K386-L419 HydrophobicContact CG-CD1 3.94Å; K386-L419 HydrophobicContact CG-CD2 4.25Å; I415-L419 HydrophobicContact CG2-CD1 4.01Å; I415-L419 HydrophobicContact CG2-CG 4.42Å; I415-L419 WeakPolarHBondContact O-CG 3.48Å; I415-L419 PolarHBondContact O-N 3.3Å; E416-L419 PolarHBondContact O-N 3.2Å; E417-L419 VanDerWaalsContact C-N 3.33Å; E417-L419 PolarHBondContact O-N 3.4Å; L419-L421 VanDerWaalsContact C-N 3.34Å; L419-L421 PolarHBondContact O-N 3.39Å; L419-F422 PolarHBondContact O-N 3.37Å; L419-E423 PolarHBondContact O-N 3.07Å |
| 420 | S | 97.6 | Very high | 96 | Very high | 69 Ų | 69 | 60.6 Ų | 60.6 | 48% | 0.483 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58 | -49.5 | 176.7 | -170 | 0 | 0 | 0 | 0 | 110.5 | E416 E417 F422 E423 D424 | E416-S420 PolarHBondContact O-N 3.24Å; E417-S420 PolarHBondContact O-N 3.37Å; S420-F422 VanDerWaalsContact C-N 3.31Å; S420-F422 PolarHBondContact O-N 3.05Å; S420-E423 PolarHBondContact O-N 2.97Å; S420-D424 PolarHBondContact O-N 3.45Å |
| 421 | L | 97.3 | Very high | 96 | Very high | 28 Ų | 28 | 63 Ų | 63 | 15% | 0.147 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.4 | -31.6 | -177.5 | -67.8 | 168.5 | 0 | 0 | 0 | 112.6 | V392 E417 L419 D424 M425 F430 | V392-L421 HydrophobicContact CB-CB 4.09Å; V392-L421 HydrophobicContact CG1-CB 4.05Å; V392-L421 HydrophobicContact CG2-CB 4.13Å; E417-L421 HydrophobicContact CG-CD1 3.84Å; E417-L421 WeakPolarHBondContact O-CB 3.42Å; E417-L421 WeakPolarHBondContact O-CD1 3.46Å; E417-L421 VanDerWaalsContact O-CG 3.25Å; E417-L421 WeakPolarHBondContact O-CG 3.44Å; E417-L421 PolarHBondContact O-N 3.39Å; L419-L421 VanDerWaalsContact C-N 3.34Å; L419-L421 PolarHBondContact O-N 3.39Å; L421-D424 WeakPolarHBondContact O-CB 3.19Å; L421-D424 PolarHBondContact O-N 3.36Å; L421-M425 VanDerWaalsContact O-CG 3.25Å; L421-M425 WeakPolarHBondContact O-CG 3.23Å; L421-M425 PolarHBondContact O-N 2.96Å; L421-F430 HydrophobicContact CD2-CE2 4.25Å; L421-F430 HydrophobicContact CD2-CZ 3.68Å |
| 422 | F | 98 | Very high | 96 | Very high | 1 Ų | 1 | 64.8 Ų | 64.8 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.5 | -36.9 | 175.5 | -172.9 | -124.8 | 0 | 0 | 0 | 112.1 | Y378 A381 V382 I385 V392 S418 L419 S420 D424 M425 K426 L437 Y453 I469 | Y378-F422 HydrophobicContact CD2-CD1 4.49Å; Y378-F422 AromaticContact CD2-CE1 3.53Å; Y378-F422 HydrophobicContact CD2-CE1 3.53Å; Y378-F422 AromaticContact CD2-CZ 3.77Å; Y378-F422 HydrophobicContact CD2-CZ 3.77Å; Y378-F422 AromaticContact CE2-CD1 3.72Å; Y378-F422 HydrophobicContact CE2-CD1 3.72Å; Y378-F422 AromaticContact CE2-CE1 3.17Å; Y378-F422 HydrophobicContact CE2-CE1 3.17Å; Y378-F422 AromaticContact CE2-CZ 3.68Å; Y378-F422 HydrophobicContact CE2-CZ 3.68Å; Y378-F422 AromaticContact CZ-CE1 3.98Å; A381-F422 HydrophobicContact CB-CE1 3.72Å; A381-F422 HydrophobicContact CB-CZ 3.84Å; V382-F422 HydrophobicContact CG2-CD1 4.21Å; V382-F422 HydrophobicContact CG2-CE1 4.25Å; I385-F422 HydrophobicContact CD1-CB 3.8Å; I385-F422 HydrophobicContact CD1-CD1 3.67Å; I385-F422 HydrophobicContact CD1-CE1 4.43Å; I385-F422 HydrophobicContact CD1-CG 3.82Å; V392-F422 HydrophobicContact CG2-CB 3.81Å; S418-F422 VanDerWaalsContact O-CB 3.3Å; S418-F422 WeakPolarHBondContact O-CB 3.25Å; S418-F422 PolarHBondContact O-N 2.87Å; L419-F422 PolarHBondContact O-N 3.37Å; S420-F422 VanDerWaalsContact C-N 3.31Å; S420-F422 PolarHBondContact O-N 3.05Å; F422-D424 VanDerWaalsContact C-N 3.34Å; F422-M425 HydrophobicContact CD2-CE 4.47Å; F422-M425 HydrophobicContact CD2-SD 4.03Å; F422-M425 WeakPolarHBondContact O-CB 3.42Å; F422-M425 PolarHBondContact O-N 3.44Å; F422-K426 PolarHBondContact O-N 3.29Å; F422-L437 HydrophobicContact CD2-CB 4.1Å; F422-L437 HydrophobicContact CD2-CD1 4.16Å; F422-L437 HydrophobicContact CD2-CD2 4.16Å; F422-L437 HydrophobicContact CD2-CG 4.37Å; F422-L437 HydrophobicContact CE1-CD2 4.29Å; F422-L437 HydrophobicContact CE2-CB 3.95Å; F422-L437 HydrophobicContact CE2-CD2 3.75Å; F422-L437 HydrophobicContact CE2-CG 4.3Å; F422-L437 HydrophobicContact CG-CD1 4.42Å; F422-L437 HydrophobicContact CZ-CD2 3.82Å; F422-Y453 HydrophobicContact CE2-CD1 4.37Å; F422-Y453 HydrophobicContact CE2-CD2 4.31Å; F422-Y453 AromaticContact CE2-CG 3.98Å; F422-Y453 HydrophobicContact CE2-CG 3.98Å; F422-Y453 HydrophobicContact CZ-CD1 4.26Å; F422-Y453 HydrophobicContact CZ-CD2 4.03Å; F422-Y453 HydrophobicContact CZ-CE2 4.3Å; F422-Y453 HydrophobicContact CZ-CG 4.02Å; F422-I469 HydrophobicContact CD2-CD1 4.48Å; F422-I469 HydrophobicContact CE2-CD1 3.72Å; F422-I469 HydrophobicContact CZ-CD1 3.81Å |
| 423 | E | 97.4 | Very high | 95.9 | Very high | 69 Ų | 69 | 60.8 Ų | 60.8 | 32% | 0.322 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 170.2 | -169.7 | 67 | -145.5 | 0 | 0 | 110.8 | Y378 L419 S420 M425 K426 N427 | Y378-E423 PolarHBondContact OH-OE2 3.43Å; L419-E423 PolarHBondContact O-N 3.07Å; S420-E423 PolarHBondContact O-N 2.97Å; E423-M425 VanDerWaalsContact C-N 3.34Å; E423-M425 PolarHBondContact O-N 2.94Å; E423-K426 CarbonylContact O-C 3.59Å; E423-K426 WeakPolarHBondContact O-CB 3.15Å; E423-K426 PolarHBondContact O-N 3.23Å; E423-K426 VanDerWaalsContact O-N 3.16Å; E423-K426 IonicContact OE1-NZ 3.83Å; E423-K426 PolarHBondContact OE1-NZ 3.24Å; E423-K426 IonicContact OE2-NZ 3.69Å; E423-N427 WeakPolarHBondContact O-CB 3.49Å; E423-N427 VanDerWaalsContact O-CG 3.29Å; E423-N427 PolarHBondContact O-N 3.32Å; E423-N427 PolarHBondContact O-ND2 2.95Å |
| 424 | D | 97.4 | Very high | 95.8 | Very high | 41 Ų | 41 | 60.9 Ų | 60.9 | 22% | 0.219 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 173.7 | -67.1 | -24 | 0 | 0 | 0 | 112.1 | S420 L421 F422 N427 G428 L429 F430 | S420-D424 PolarHBondContact O-N 3.45Å; L421-D424 WeakPolarHBondContact O-CB 3.19Å; L421-D424 PolarHBondContact O-N 3.36Å; F422-D424 VanDerWaalsContact C-N 3.34Å; D424-N427 CarbonylContact O-C 3.6Å; D424-N427 PolarHBondContact O-N 3.49Å; D424-G428 PolarHBondContact O-N 3.34Å; D424-G428 VanDerWaalsContact O-N 3.15Å; D424-L429 HydrophobicContact CB-CB 4.26Å; D424-L429 HydrophobicContact CB-CD1 3.93Å; D424-L429 HydrophobicContact CB-CG 4.46Å; D424-L429 PolarHBondContact O-N 3.26Å; D424-F430 HydrophobicContact CB-CD2 4.43Å; D424-F430 HydrophobicContact CB-CE2 3.69Å; D424-F430 HydrophobicContact CB-CZ 4.44Å |
| 425 | M | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 171.2 | -70.4 | 172.9 | 61.6 | 0 | 0 | 111.1 | V392 L421 F422 E423 N427 G428 F430 A435 I455 C468 I469 | V392-M425 HydrophobicContact CB-SD 4.46Å; V392-M425 HydrophobicContact CG1-SD 3.71Å; V392-M425 HydrophobicContact CG2-SD 3.91Å; L421-M425 VanDerWaalsContact O-CG 3.25Å; L421-M425 WeakPolarHBondContact O-CG 3.23Å; L421-M425 PolarHBondContact O-N 2.96Å; F422-M425 HydrophobicContact CD2-CE 4.47Å; F422-M425 HydrophobicContact CD2-SD 4.03Å; F422-M425 WeakPolarHBondContact O-CB 3.42Å; F422-M425 PolarHBondContact O-N 3.44Å; E423-M425 VanDerWaalsContact C-N 3.34Å; E423-M425 PolarHBondContact O-N 2.94Å; M425-N427 VanDerWaalsContact C-N 3.29Å; M425-N427 PolarHBondContact O-N 3.34Å; M425-G428 PolarHBondContact O-N 2.84Å; M425-F430 HydrophobicContact CB-CD2 4.38Å; M425-F430 HydrophobicContact CG-CD2 3.69Å; M425-F430 HydrophobicContact CG-CE2 4.08Å; M425-A435 HydrophobicContact CE-CB 4.34Å; M425-A435 HydrophobicContact CG-CB 3.81Å; M425-A435 HydrophobicContact SD-CB 3.84Å; M425-I455 HydrophobicContact CE-CD1 4.27Å; M425-I455 HydrophobicContact CE-CG1 3.97Å; M425-I455 HydrophobicContact CG-CD1 4.23Å; M425-C468 PolarHBondContact O-SG 3.35Å; M425-I469 HydrophobicContact CB-CG2 3.87Å; M425-I469 HydrophobicContact CE-CG2 4.36Å; M425-I469 WeakPolarHBondContact O-CG2 3.35Å |
| 426 | K | 95.9 | Very high | 95.7 | Very high | 60 Ų | 60 | 55.3 Ų | 55.3 | 26% | 0.261 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.7 | -33.1 | 176.5 | 176.7 | -174.9 | 155.3 | -143.9 | 0 | 112.7 | Y378 F422 E423 G428 W467 C468 I469 | Y378-K426 HydrophobicContact CD2-CD 4.29Å; Y378-K426 HydrophobicContact CE1-CD 3.95Å; Y378-K426 HydrophobicContact CE2-CB 4.24Å; Y378-K426 HydrophobicContact CE2-CD 3.6Å; Y378-K426 HydrophobicContact CE2-CG 4.38Å; Y378-K426 VanDerWaalsContact CZ-CD 3.42Å; Y378-K426 WeakPolarHBondContact OH-CD 3.4Å; F422-K426 PolarHBondContact O-N 3.29Å; E423-K426 CarbonylContact O-C 3.59Å; E423-K426 WeakPolarHBondContact O-CB 3.15Å; E423-K426 PolarHBondContact O-N 3.23Å; E423-K426 VanDerWaalsContact O-N 3.16Å; E423-K426 IonicContact OE1-NZ 3.83Å; E423-K426 PolarHBondContact OE1-NZ 3.24Å; E423-K426 IonicContact OE2-NZ 3.69Å; K426-G428 VanDerWaalsContact C-N 3.26Å; K426-G428 PolarHBondContact O-N 3.37Å; K426-W467 HydrophobicContact CD-CE3 4.47Å; K426-W467 HydrophobicContact CD-CZ3 3.87Å; K426-W467 HydrophobicContact CG-CE3 4.28Å; K426-W467 HydrophobicContact CG-CZ3 4.17Å; K426-C468 PolarHBondContact O-SG 2.99Å; K426-I469 HydrophobicContact CB-CD1 3.7Å; K426-I469 HydrophobicContact CB-CG1 4.21Å; K426-I469 HydrophobicContact CG-CD1 4.33Å |
| 427 | N | 96.2 | Very high | 95.7 | Very high | 97 Ų | 97 | 48.7 Ų | 48.7 | 52% | 0.519 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -1.9 | 177.7 | -69.8 | -32.5 | 0 | 0 | 0 | 113.6 | E423 D424 M425 L429 | E423-N427 WeakPolarHBondContact O-CB 3.49Å; E423-N427 VanDerWaalsContact O-CG 3.29Å; E423-N427 PolarHBondContact O-N 3.32Å; E423-N427 PolarHBondContact O-ND2 2.95Å; D424-N427 CarbonylContact O-C 3.6Å; D424-N427 PolarHBondContact O-N 3.49Å; M425-N427 VanDerWaalsContact C-N 3.29Å; M425-N427 PolarHBondContact O-N 3.34Å; N427-L429 HydrophobicContact CB-CG 4.4Å |
| 428 | G | 93.9 | Very high | 95.7 | Very high | 27 Ų | 27 | 44.7 Ų | 44.7 | 28% | 0.278 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 32.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D424 M425 K426 F430 Y457 | D424-G428 PolarHBondContact O-N 3.34Å; D424-G428 VanDerWaalsContact O-N 3.15Å; M425-G428 PolarHBondContact O-N 2.84Å; K426-G428 VanDerWaalsContact C-N 3.26Å; K426-G428 PolarHBondContact O-N 3.37Å; G428-F430 VanDerWaalsContact C-N 3.33Å; G428-Y457 WeakPolarHBondContact CA-OH 3.26Å; G428-Y457 PolarHBondContact O-OH 2.93Å; G428-Y457 VanDerWaalsContact O-OH 3.13Å |
| 429 | L | 95.2 | Very high | 95.6 | Very high | 117 Ų | 117 | 44.7 Ų | 44.7 | 61% | 0.613 | 26% | 0.256 | S | S | * | . | trans | -86.6 | -0 | 179.3 | -60.9 | -176.8 | 0 | 0 | 0 | 114.2 | D424 N427 | D424-L429 HydrophobicContact CB-CB 4.26Å; D424-L429 HydrophobicContact CB-CD1 3.93Å; D424-L429 HydrophobicContact CB-CG 4.46Å; D424-L429 PolarHBondContact O-N 3.26Å; N427-L429 HydrophobicContact CB-CG 4.4Å | ||
| 430 | F | 94.7 | Very high | 95.4 | Very high | 46 Ų | 46 | 45 Ų | 45 | 20% | 0.202 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -126.3 | 142 | -179.2 | -66.5 | -70.5 | 0 | 0 | 0 | 111.5 | H394 L421 D424 M425 G428 A435 I455 Y457 | H394-F430 AromaticContact CE1-CE1 3.86Å; L421-F430 HydrophobicContact CD2-CE2 4.25Å; L421-F430 HydrophobicContact CD2-CZ 3.68Å; D424-F430 HydrophobicContact CB-CD2 4.43Å; D424-F430 HydrophobicContact CB-CE2 3.69Å; D424-F430 HydrophobicContact CB-CZ 4.44Å; M425-F430 HydrophobicContact CB-CD2 4.38Å; M425-F430 HydrophobicContact CG-CD2 3.69Å; M425-F430 HydrophobicContact CG-CE2 4.08Å; G428-F430 VanDerWaalsContact C-N 3.33Å; F430-A435 HydrophobicContact CB-CB 4.34Å; F430-A435 HydrophobicContact CD1-CB 4.44Å; F430-A435 HydrophobicContact CD2-CB 4.12Å; F430-A435 HydrophobicContact CG-CB 4.05Å; F430-I455 HydrophobicContact CB-CD1 3.62Å; F430-Y457 VanDerWaalsContact O-CE2 3.32Å; F430-Y457 WeakPolarHBondContact O-CE2 3.42Å; F430-Y457 VanDerWaalsContact O-CZ 3.31Å; F430-Y457 PolarHBondContact O-OH 3.31Å |
| 431 | D | 94.3 | Very high | 95.1 | Very high | 135 Ų | 135 | 42.6 Ų | 42.6 | 72% | 0.722 | 24% | 0.238 | S | C | * | . | trans | -65.6 | 161.2 | 173 | -64.2 | -38.7 | 0 | 0 | 0 | 112.4 | G433 G434 | D431-G433 PolarHBondContact O-N 2.82Å; D431-G434 PolarHBondContact O-N 3.22Å | ||
| 432 | E | 92.4 | Very high | 94.8 | Very high | 108 Ų | 108 | 45.2 Ų | 45.2 | 51% | 0.505 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 129.9 | 173.9 | -60.8 | -166.6 | 160.9 | 0 | 0 | 110.9 | G434 I455 K456 Y457 | E432-G434 PolarHBondContact O-N 3.21Å; E432-I455 HydrophobicContact CG-CG2 4.46Å; E432-K456 WeakPolarHBondContact OE1-CA 3.48Å; E432-Y457 HydrophobicContact CG-CD2 3.64Å; E432-Y457 HydrophobicContact CG-CE2 4.21Å; E432-Y457 PolarHBondContact OE1-N 3.43Å |
| 433 | G | 90.6 | Very high | 94.2 | Very high | 42 Ų | 42 | 45.8 Ų | 45.8 | 43% | 0.433 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | -2.2 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | D431 | D431-G433 PolarHBondContact O-N 2.82Š|
| 434 | G | 91.8 | Very high | 93.4 | Very high | 29 Ų | 29 | 50.6 Ų | 50.6 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -23.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | H394 D431 E432 | H394-G434 PolarHBondContact ND1-O 3.44Å; D431-G434 PolarHBondContact O-N 3.22Å; E432-G434 PolarHBondContact O-N 3.21Å |
| 435 | A | 95.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | trans | -151 | 147.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V392 C393 M425 F430 I455 | V392-A435 HydrophobicContact CG1-CB 4.1Å; C393-A435 CarbonylContact O-C 3.57Å; C393-A435 WeakPolarHBondContact O-CA 3.32Å; M425-A435 HydrophobicContact CE-CB 4.34Å; M425-A435 HydrophobicContact CG-CB 3.81Å; M425-A435 HydrophobicContact SD-CB 3.84Å; F430-A435 HydrophobicContact CB-CB 4.34Å; F430-A435 HydrophobicContact CD1-CB 4.44Å; F430-A435 HydrophobicContact CD2-CB 4.12Å; F430-A435 HydrophobicContact CG-CB 4.05Å; A435-I455 HydrophobicContact CB-CD1 4.09Å; A435-I455 WeakPolarHBondContact O-CD1 3.31Å | ||
| 436 | T | 96.4 | Very high | 91.7 | Very high | 17 Ų | 17 | 55.7 Ų | 55.7 | 10% | 0.104 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 148 | 173.7 | 55.8 | 0 | 0 | 0 | 0 | 110.3 | V392 C393 V451 Y453 | V392-T436 CarbonylContact C-O 3.53Å; V392-T436 WeakPolarHBondContact CA-O 3.47Å; C393-T436 PolarHBondContact N-O 2.65Å; C393-T436 PolarHBondContact O-N 3.39Å; C393-T436 PolarHBondContact O-OG1 2.93Å; T436-V451 HydrophobicContact CG2-CG1 4.28Å; T436-Y453 WeakPolarHBondContact CA-O 3.47Å |
| 437 | L | 97.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 126.5 | 167.4 | -174.3 | 69.8 | 0 | 0 | 0 | 108.4 | A381 I385 A390 V392 F422 V451 A452 Y453 | A381-L437 HydrophobicContact CB-CD2 3.82Å; I385-L437 HydrophobicContact CD1-CD1 3.61Å; I385-L437 HydrophobicContact CD1-CD2 4.4Å; I385-L437 HydrophobicContact CG1-CD1 3.8Å; A390-L437 HydrophobicContact CB-CD1 4.09Å; A390-L437 HydrophobicContact CB-CG 4.31Å; V392-L437 HydrophobicContact CG2-CD1 4.05Å; F422-L437 HydrophobicContact CD2-CB 4.1Å; F422-L437 HydrophobicContact CD2-CD1 4.16Å; F422-L437 HydrophobicContact CD2-CD2 4.16Å; F422-L437 HydrophobicContact CD2-CG 4.37Å; F422-L437 HydrophobicContact CE1-CD2 4.29Å; F422-L437 HydrophobicContact CE2-CB 3.95Å; F422-L437 HydrophobicContact CE2-CD2 3.75Å; F422-L437 HydrophobicContact CE2-CG 4.3Å; F422-L437 HydrophobicContact CG-CD1 4.42Å; F422-L437 HydrophobicContact CZ-CD2 3.82Å; L437-V451 CarbonylContact O-C 3.57Å; L437-V451 WeakPolarHBondContact O-CA 3.46Å; L437-A452 HydrophobicContact CD2-CB 4.16Å; L437-A452 HydrophobicContact CG-CB 4.34Å; L437-A452 PolarHBondContact O-N 3.08Å; L437-Y453 HydrophobicContact CD2-CD2 4.01Å; L437-Y453 PolarHBondContact N-O 2.75Å; L437-Y453 PolarHBondContact O-N 3.32Å |
| 438 | R | 95.6 | Very high | 90.8 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 139.4 | 179.2 | -63 | -176.7 | 69.2 | 177.9 | -0.1 | 110.6 | A390 Y391 C393 V448 D449 P450 V451 | A390-R438 CarbonylContact C-O 3.47Å; A390-R438 WeakPolarHBondContact CA-O 3.35Å; A390-R438 WeakPolarHBondContact CB-O 3.34Å; Y391-R438 HydrophobicContact CE1-CB 4Å; Y391-R438 HydrophobicContact CE2-CB 4.44Å; Y391-R438 PolarHBondContact N-O 3.14Å; Y391-R438 PolarHBondContact O-N 3.09Å; C393-R438 VanDerWaalsContact CB-CD 3.42Å; C393-R438 HydrophobicContact CB-CG 3.9Å; R438-V448 PolarHBondContact NH2-O 3.03Å; R438-D449 HydrophobicContact CB-CB 4.31Å; R438-D449 VanDerWaalsContact CZ-O 3.24Å; R438-D449 PolarHBondContact NE-O 3.06Å; R438-D449 PolarHBondContact NH2-O 3.39Å; R438-P450 WeakPolarHBondContact CA-O 3.39Å; R438-V451 HydrophobicContact CG-CG2 4.31Å |
| 439 | M | 95.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 128.5 | 174.6 | -61.7 | -174.4 | -75.2 | 0 | 0 | 108.7 | L384 H389 V441 D449 P450 A452 Y475 W504 L505 | L384-M439 HydrophobicContact CD2-CG 4.07Å; H389-M439 CarbonylContact O-C 3.59Å; M439-V441 VanDerWaalsContact C-N 3.35Å; M439-V441 HydrophobicContact CB-CG1 4.11Å; M439-V441 PolarHBondContact O-N 3.23Å; M439-D449 CarbonylContact O-C 3.58Å; M439-D449 WeakPolarHBondContact O-CA 3.33Å; M439-D449 VanDerWaalsContact O-CB 3.26Å; M439-D449 WeakPolarHBondContact O-CB 3.4Å; M439-P450 HydrophobicContact CB-CG 4.3Å; M439-P450 HydrophobicContact CE-CB 3.98Å; M439-P450 HydrophobicContact CE-CG 3.55Å; M439-P450 PolarHBondContact N-O 2.87Å; M439-A452 HydrophobicContact CG-CB 3.82Å; M439-A452 HydrophobicContact SD-CB 4.34Å; M439-Y475 HydrophobicContact SD-CD2 3.89Å; M439-W504 HydrophobicContact CB-CH2 3.79Å; M439-W504 HydrophobicContact CB-CZ3 3.71Å; M439-W504 HydrophobicContact CG-CH2 4.43Å; M439-W504 HydrophobicContact CG-CZ3 4.07Å; M439-W504 HydrophobicContact SD-CZ3 3.75Å; M439-L505 HydrophobicContact SD-CD1 4.05Å; M439-L505 HydrophobicContact SD-CD2 3.97Å |
| 440 | K | 93.8 | Very high | 90.5 | Very high | 53 Ų | 53 | 48.6 Ų | 48.6 | 23% | 0.23 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -81.4 | 77.5 | -177.1 | -167.8 | 171.9 | -177.9 | 159.9 | 0 | 110.7 | H389 Y391 R411 D412 D449 | H389-K440 PolarHBondContact O-N 3.18Å; Y391-K440 HydrophobicContact CD1-CB 4.25Å; Y391-K440 HydrophobicContact CE1-CB 4.4Å; R411-K440 HydrophobicContact CG-CD 4.38Å; R411-K440 HydrophobicContact CG-CG 4.36Å; R411-K440 PolarHBondContact O-NZ 3.29Å; D412-K440 IonicContact OD1-NZ 3.89Å; D412-K440 PolarHBondContact OD1-NZ 2.96Å; K440-D449 VanDerWaalsContact CA-OD1 3.32Å; K440-D449 WeakPolarHBondContact CA-OD1 3.4Å |
| 441 | V | 92.1 | Very high | 90.4 | Very high | 19 Ų | 19 | 48.2 Ų | 48.2 | 12% | 0.115 | 27% | 0.272 | C | S | . | . | trans | -154.6 | 143.2 | -176.5 | 64.6 | 0 | 0 | 0 | 0 | 111.2 | M439 L443 D449 P450 W504 | M439-V441 VanDerWaalsContact C-N 3.35Å; M439-V441 HydrophobicContact CB-CG1 4.11Å; M439-V441 PolarHBondContact O-N 3.23Å; V441-L443 HydrophobicContact CG1-CD2 3.97Å; V441-L443 HydrophobicContact CG2-CD2 4.35Å; V441-D449 PolarHBondContact N-OD1 2.98Å; V441-D449 WeakPolarHBondContact O-CA 3.47Å; V441-D449 PolarHBondContact O-N 2.63Å; V441-P450 HydrophobicContact CG1-CG 4.11Å; V441-W504 HydrophobicContact CB-CD2 4Å; V441-W504 HydrophobicContact CB-CE3 4.35Å; V441-W504 HydrophobicContact CB-CH2 4.1Å; V441-W504 HydrophobicContact CB-CZ2 3.71Å; V441-W504 HydrophobicContact CB-CZ3 4.41Å; V441-W504 HydrophobicContact CG1-CD2 4.08Å; V441-W504 HydrophobicContact CG1-CE3 3.94Å; V441-W504 HydrophobicContact CG1-CH2 4.01Å; V441-W504 HydrophobicContact CG1-CZ2 4.12Å; V441-W504 HydrophobicContact CG1-CZ3 3.92Å; V441-W504 HydrophobicContact CG2-CD2 3.88Å; V441-W504 HydrophobicContact CG2-CG 3.97Å; V441-W504 HydrophobicContact CG2-CZ2 4.32Å | ||
| 442 | T | 89.4 | Confident | 90.5 | Very high | 83 Ų | 83 | 41.8 Ų | 41.8 | 51% | 0.509 | 24% | 0.238 | S | C | . | . | B | Isolated β-bridge | trans | -99.7 | 118.5 | 166.5 | -57.6 | 0 | 0 | 0 | 0 | 108.3 | V448 | T442-V448 HydrophobicContact CG2-CG2 4.16Å |
| 443 | L | 85.4 | Confident | 90.8 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 6% | 0.063 | 21% | 0.214 | C | C | . | . | trans | -74.9 | 161.7 | 178.5 | -55.9 | -174.3 | 0 | 0 | 0 | 111.1 | V441 E445 G446 K447 P450 | V441-L443 HydrophobicContact CG1-CD2 3.97Å; V441-L443 HydrophobicContact CG2-CD2 4.35Å; L443-E445 PolarHBondContact O-N 2.85Å; L443-G446 WeakPolarHBondContact O-CA 3.39Å; L443-G446 PolarHBondContact O-N 3.16Å; L443-K447 HydrophobicContact CB-CB 4.41Å; L443-K447 HydrophobicContact CD1-CB 4.28Å; L443-K447 HydrophobicContact CD1-CD 4.36Å; L443-K447 PolarHBondContact N-O 3.41Å; L443-P450 HydrophobicContact CD1-CG 4.15Å; L443-P450 HydrophobicContact CD2-CG 4.42Å; L443-P450 HydrophobicContact CG-CG 4.31Å | ||
| 444 | E | 81.8 | Confident | 91 | Very high | 171 Ų | 171 | 37.8 Ų | 37.8 | 80% | 0.799 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -30.2 | 178.2 | -70.2 | 178.2 | 174.8 | 0 | 0 | 113.1 | G446 | E444-G446 PolarHBondContact O-N 3.41Š|
| 445 | E | 77.5 | Confident | 91.2 | Very high | 105 Ų | 105 | 36.8 Ų | 36.8 | 49% | 0.491 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -4.2 | 174 | -62.9 | 175.6 | -133.4 | 0 | 0 | 113.7 | L443 K447 S497 | L443-E445 PolarHBondContact O-N 2.85Å; E445-K447 VanDerWaalsContact C-N 3.3Å; E445-S497 VanDerWaalsContact CD-OG 3.22Å; E445-S497 WeakPolarHBondContact OE1-CA 3.21Å; E445-S497 WeakPolarHBondContact OE1-CB 3.41Å; E445-S497 PolarHBondContact OE1-OG 2.82Å |
| 446 | G | 81.7 | Confident | 91.1 | Very high | 43 Ų | 43 | 38.8 Ų | 38.8 | 44% | 0.443 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 86.6 | -9.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L443 E444 V448 | L443-G446 WeakPolarHBondContact O-CA 3.39Å; L443-G446 PolarHBondContact O-N 3.16Å; E444-G446 PolarHBondContact O-N 3.41Å; G446-V448 WeakPolarHBondContact O-CG2 3.41Å; G446-V448 PolarHBondContact O-N 3.06Å |
| 447 | K | 83.9 | Confident | 91 | Very high | 102 Ų | 102 | 42.8 Ų | 42.8 | 44% | 0.443 | 22% | 0.215 | S | C | . | . | trans | -60.4 | 114.4 | 178 | -174 | 177.1 | -178.7 | -175.9 | 0 | 110.6 | L443 E445 | L443-K447 HydrophobicContact CB-CB 4.41Å; L443-K447 HydrophobicContact CD1-CB 4.28Å; L443-K447 HydrophobicContact CD1-CD 4.36Å; L443-K447 PolarHBondContact N-O 3.41Å; E445-K447 VanDerWaalsContact C-N 3.3Å | ||
| 448 | V | 87.6 | Confident | 90.7 | Very high | 44 Ų | 44 | 45.2 Ų | 45.2 | 27% | 0.267 | 23% | 0.23 | S | C | . | . | B | Isolated β-bridge | trans | -89.8 | 133 | -178.5 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | R438 T442 G446 | R438-V448 PolarHBondContact NH2-O 3.03Å; T442-V448 HydrophobicContact CG2-CG2 4.16Å; G446-V448 WeakPolarHBondContact O-CG2 3.41Å; G446-V448 PolarHBondContact O-N 3.06Å |
| 449 | D | 91.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 44.9 | 66.5 | 173.3 | -57.7 | -23.5 | 0 | 0 | 0 | 114.4 | Y391 R411 R438 M439 K440 V441 | Y391-D449 HydrophobicContact CE1-CB 4.14Å; Y391-D449 WeakPolarHBondContact OH-CB 3.35Å; Y391-D449 PolarHBondContact OH-OD2 3.39Å; R411-D449 WeakPolarHBondContact CD-OD2 3.28Å; R411-D449 IonicContact CZ-OD2 3.34Å; R411-D449 IonicContact NE-OD1 3.68Å; R411-D449 IonicContact NE-OD2 2.63Å; R411-D449 PolarHBondContact NE-OD2 3Å; R411-D449 IonicContact NH2-OD1 2.81Å; R438-D449 HydrophobicContact CB-CB 4.31Å; R438-D449 VanDerWaalsContact CZ-O 3.24Å; R438-D449 PolarHBondContact NE-O 3.06Å; R438-D449 PolarHBondContact NH2-O 3.39Å; M439-D449 CarbonylContact O-C 3.58Å; M439-D449 WeakPolarHBondContact O-CA 3.33Å; M439-D449 VanDerWaalsContact O-CB 3.26Å; M439-D449 WeakPolarHBondContact O-CB 3.4Å; K440-D449 VanDerWaalsContact CA-OD1 3.32Å; K440-D449 WeakPolarHBondContact CA-OD1 3.4Å; V441-D449 PolarHBondContact N-OD1 2.98Å; V441-D449 WeakPolarHBondContact O-CA 3.47Å; V441-D449 PolarHBondContact O-N 2.63Å |
| 450 | P | 91.6 | Very high | 90.3 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | trans | -60.2 | 148.1 | -177.5 | 24.8 | -35.1 | 0 | 0 | 0 | 113.1 | R438 M439 V441 L443 A452 | R438-P450 WeakPolarHBondContact CA-O 3.39Å; M439-P450 HydrophobicContact CB-CG 4.3Å; M439-P450 HydrophobicContact CE-CB 3.98Å; M439-P450 HydrophobicContact CE-CG 3.55Å; M439-P450 PolarHBondContact N-O 2.87Å; V441-P450 HydrophobicContact CG1-CG 4.11Å; L443-P450 HydrophobicContact CD1-CG 4.15Å; L443-P450 HydrophobicContact CD2-CG 4.42Å; L443-P450 HydrophobicContact CG-CG 4.31Å; P450-A452 PolarHBondContact O-N 3.25Å | ||
| 451 | V | 93.8 | Very high | 89.9 | Confident | 38 Ų | 38 | 49 Ų | 49 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 126.2 | 178.8 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | T436 L437 R438 Y453 T472 | T436-V451 HydrophobicContact CG2-CG1 4.28Å; L437-V451 CarbonylContact O-C 3.57Å; L437-V451 WeakPolarHBondContact O-CA 3.46Å; R438-V451 HydrophobicContact CG-CG2 4.31Å; V451-Y453 WeakPolarHBondContact CG1-O 3.23Å; V451-T472 HydrophobicContact CB-CG2 4.3Å; V451-T472 HydrophobicContact CG1-CG2 3.92Å; V451-T472 VanDerWaalsContact O-CG2 3.24Å; V451-T472 WeakPolarHBondContact O-CG2 3.48Å; V451-T472 PolarHBondContact O-OG1 2.94Å |
| 452 | A | 96.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -44.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L437 M439 P450 P471 T472 Y475 | L437-A452 HydrophobicContact CD2-CB 4.16Å; L437-A452 HydrophobicContact CG-CB 4.34Å; L437-A452 PolarHBondContact O-N 3.08Å; M439-A452 HydrophobicContact CG-CB 3.82Å; M439-A452 HydrophobicContact SD-CB 4.34Å; P450-A452 PolarHBondContact O-N 3.25Å; A452-P471 CarbonylContact O-C 3.59Å; A452-P471 VanDerWaalsContact O-CA 3.25Å; A452-P471 WeakPolarHBondContact O-CA 3.19Å; A452-T472 PolarHBondContact O-N 3.06Å; A452-T472 PolarHBondContact O-OG1 3.45Å; A452-Y475 HydrophobicContact CB-CD2 3.54Å; A452-Y475 HydrophobicContact CB-CE2 4.13Å; A452-Y475 HydrophobicContact CB-CG 3.88Å |
| 453 | Y | 97.7 | Very high | 89.8 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 144.4 | 179.9 | -83.5 | -105.8 | 0 | 0 | 0 | 112.2 | L377 Y378 A381 F422 T436 L437 V451 I469 Y470 P471 Y475 | L377-Y453 WeakPolarHBondContact CB-OH 3.42Å; L377-Y453 PolarHBondContact O-OH 3.13Å; Y378-Y453 WeakPolarHBondContact CA-OH 3.43Å; Y378-Y453 PolarHBondContact N-OH 3.08Å; Y378-Y453 VanDerWaalsContact N-OH 3.12Å; A381-Y453 HydrophobicContact CB-CD2 4.24Å; A381-Y453 HydrophobicContact CB-CE2 3.73Å; F422-Y453 HydrophobicContact CE2-CD1 4.37Å; F422-Y453 HydrophobicContact CE2-CD2 4.31Å; F422-Y453 AromaticContact CE2-CG 3.98Å; F422-Y453 HydrophobicContact CE2-CG 3.98Å; F422-Y453 HydrophobicContact CZ-CD1 4.26Å; F422-Y453 HydrophobicContact CZ-CD2 4.03Å; F422-Y453 HydrophobicContact CZ-CE2 4.3Å; F422-Y453 HydrophobicContact CZ-CG 4.02Å; T436-Y453 WeakPolarHBondContact CA-O 3.47Å; L437-Y453 HydrophobicContact CD2-CD2 4.01Å; L437-Y453 PolarHBondContact N-O 2.75Å; L437-Y453 PolarHBondContact O-N 3.32Å; V451-Y453 WeakPolarHBondContact CG1-O 3.23Å; Y453-I469 HydrophobicContact CD1-CB 4.09Å; Y453-I469 HydrophobicContact CD1-CD1 4.03Å; Y453-I469 HydrophobicContact CD1-CG1 4.14Å; Y453-I469 HydrophobicContact CE1-CD1 4.33Å; Y453-I469 HydrophobicContact CE1-CG1 4.45Å; Y453-Y470 WeakPolarHBondContact CA-O 3.42Å; Y453-Y470 VanDerWaalsContact CD1-C 3.5Å; Y453-P471 HydrophobicContact CD1-CB 4.36Å; Y453-P471 HydrophobicContact CD2-CB 4.34Å; Y453-P471 HydrophobicContact CE1-CB 3.95Å; Y453-P471 HydrophobicContact CE1-CG 4.25Å; Y453-P471 HydrophobicContact CE2-CB 3.91Å; Y453-Y475 HydrophobicContact CD2-CD1 4.4Å; Y453-Y475 HydrophobicContact CD2-CE1 4.35Å; Y453-Y475 AromaticContact CE2-CD1 3.78Å; Y453-Y475 HydrophobicContact CE2-CD1 3.78Å; Y453-Y475 AromaticContact CE2-CE1 3.45Å; Y453-Y475 HydrophobicContact CE2-CE1 3.45Å; Y453-Y475 VanDerWaalsContact CE2-CE1 3.45Å |
| 454 | R | 95.4 | Very high | 90.1 | Very high | 64 Ų | 64 | 51.6 Ų | 51.6 | 24% | 0.242 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 152.4 | 175 | 64.2 | -179.5 | -176.4 | -88.5 | -4.5 | 110.9 | T340 I469 Y470 P471 | T340-R454 PolarHBondContact O-NH2 2.94Å; R454-I469 CarbonylContact O-C 3.58Å; R454-I469 WeakPolarHBondContact O-CA 3.31Å; R454-Y470 PolarHBondContact N-O 3.48Å; R454-Y470 PolarHBondContact O-N 2.84Å; R454-P471 PolarHBondContact NH1-O 3.31Å |
| 455 | I | 95.5 | Very high | 90.6 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 133.4 | 173.6 | -58.4 | 161.2 | 0 | 0 | 0 | 109.3 | M425 F430 E432 A435 Y457 C468 I469 | M425-I455 HydrophobicContact CE-CD1 4.27Å; M425-I455 HydrophobicContact CE-CG1 3.97Å; M425-I455 HydrophobicContact CG-CD1 4.23Å; F430-I455 HydrophobicContact CB-CD1 3.62Å; E432-I455 HydrophobicContact CG-CG2 4.46Å; A435-I455 HydrophobicContact CB-CD1 4.09Å; A435-I455 WeakPolarHBondContact O-CD1 3.31Å; I455-Y457 HydrophobicContact CG2-CD2 4.18Å; I455-Y457 HydrophobicContact CG2-CE1 4.49Å; I455-Y457 HydrophobicContact CG2-CE2 3.64Å; I455-C468 WeakPolarHBondContact CA-O 3.4Å; I455-I469 HydrophobicContact CG1-CG2 3.95Å |
| 456 | K | 94.2 | Very high | 91.3 | Very high | 43 Ų | 43 | 50.3 Ų | 50.3 | 19% | 0.187 | 26% | 0.264 | C | S | . | . | trans | -144.5 | 123 | 165.8 | -73.9 | -168.8 | 166.8 | -164.4 | 0 | 109 | N341 P342 E343 E432 V458 C468 Y470 | N341-K456 PolarHBondContact OD1-NZ 3.4Å; P342-K456 HydrophobicContact CG-CB 4.1Å; P342-K456 HydrophobicContact CG-CD 3.8Å; E343-K456 IonicContact OE1-NZ 3.61Å; E343-K456 PolarHBondContact OE1-NZ 2.82Å; E432-K456 WeakPolarHBondContact OE1-CA 3.48Å; K456-V458 PolarHBondContact O-N 3.36Å; K456-C468 CarbonylContact C-O 3.57Å; K456-C468 PolarHBondContact N-O 3.31Å; K456-C468 VanDerWaalsContact O-O 3.08Å; K456-Y470 HydrophobicContact CB-CD2 3.94Å; K456-Y470 HydrophobicContact CB-CE2 4.11Å; K456-Y470 WeakPolarHBondContact O-CE2 3.32Å | ||
| 457 | Y | 93.4 | Very high | 91.9 | Very high | 100 Ų | 100 | 49 Ų | 49 | 39% | 0.392 | 25% | 0.246 | S | C | . | . | trans | -86.3 | 52.1 | 176.7 | -67.9 | -68.4 | 0 | 0 | 0 | 111.8 | G428 F430 E432 I455 C468 | G428-Y457 WeakPolarHBondContact CA-OH 3.26Å; G428-Y457 PolarHBondContact O-OH 2.93Å; G428-Y457 VanDerWaalsContact O-OH 3.13Å; F430-Y457 VanDerWaalsContact O-CE2 3.32Å; F430-Y457 WeakPolarHBondContact O-CE2 3.42Å; F430-Y457 VanDerWaalsContact O-CZ 3.31Å; F430-Y457 PolarHBondContact O-OH 3.31Å; E432-Y457 HydrophobicContact CG-CD2 3.64Å; E432-Y457 HydrophobicContact CG-CE2 4.21Å; E432-Y457 PolarHBondContact OE1-N 3.43Å; I455-Y457 HydrophobicContact CG2-CD2 4.18Å; I455-Y457 HydrophobicContact CG2-CE1 4.49Å; I455-Y457 HydrophobicContact CG2-CE2 3.64Å; Y457-C468 HydrophobicContact CD1-CB 3.83Å; Y457-C468 HydrophobicContact CE1-CB 3.75Å | ||
| 458 | V | 91.4 | Very high | 92.4 | Very high | 51 Ų | 51 | 45 Ų | 45 | 31% | 0.309 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -118.5 | 126.6 | 176 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | P342 K456 H460 Y470 | P342-V458 HydrophobicContact CB-CB 4.28Å; P342-V458 HydrophobicContact CB-CG1 4.38Å; P342-V458 HydrophobicContact CG-CB 4.14Å; K456-V458 PolarHBondContact O-N 3.36Å; V458-H460 PolarHBondContact O-N 3.28Å; V458-Y470 PolarHBondContact O-OH 2.81Å |
| 459 | P | 90 | Very high | 92.9 | Very high | 73 Ų | 73 | 43 Ų | 43 | 47% | 0.474 | 22% | 0.218 | S | C | . | . | trans | -58.5 | 126.5 | 174.3 | -23.2 | 32.6 | 0 | 0 | 0 | 111.1 | N465 | P459-N465 WeakPolarHBondContact CB-OD1 3.26Å; P459-N465 VanDerWaalsContact CG-OD1 3.22Å; P459-N465 WeakPolarHBondContact CG-OD1 2.91Å | ||
| 460 | H | 91.2 | Very high | 93.1 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.019 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -68.8 | 133.8 | 175.5 | -168.7 | -92.1 | 0 | 0 | 0 | 110.3 | D339 P342 S371 F374 V458 R462 A463 G464 Y470 | D339-H460 PolarHBondContact O-NE2 3.37Å; D339-H460 IonicContact OD2-CE1 3.34Å; D339-H460 PolarHBondContact OD2-CE1 2.92Å; D339-H460 IonicContact OD2-NE2 2.77Å; P342-H460 HydrophobicContact CB-CB 4.43Å; S371-H460 WeakPolarHBondContact CB-CE1 3.32Å; F374-H460 AromaticContact CE2-CD2 3.76Å; F374-H460 AromaticContact CE2-NE2 3.86Å; F374-H460 AromaticContact CZ-NE2 3.88Å; V458-H460 PolarHBondContact O-N 3.28Å; H460-R462 PolarHBondContact ND1-N 3.48Å; H460-R462 VanDerWaalsContact ND1-N 3.13Å; H460-R462 PolarHBondContact O-N 3.45Å; H460-R462 VanDerWaalsContact O-N 3.08Å; H460-A463 HydrophobicContact CB-CB 3.84Å; H460-A463 PolarHBondContact ND1-N 3.46Å; H460-A463 PolarHBondContact O-N 3.44Å; H460-G464 PolarHBondContact N-O 3.18Å; H460-G464 VanDerWaalsContact O-CA 3.28Å; H460-G464 WeakPolarHBondContact O-CA 3.45Å; H460-G464 PolarHBondContact O-N 3.3Å; H460-Y470 HydrophobicContact CB-CE1 4Å; H460-Y470 AromaticContact CD2-CE1 3.83Å; H460-Y470 PolarHBondContact N-OH 2.6Å |
| 461 | H | 86.4 | Confident | 93.3 | Very high | 61 Ų | 61 | 42.8 Ų | 42.8 | 28% | 0.282 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -27.6 | -176.1 | 68.4 | 93.8 | 0 | 0 | 0 | 114.4 | D339 K344 F350 | D339-H461 WeakPolarHBondContact CB-NE2 3.38Å; D339-H461 IonicContact OD2-CE1 3.08Å; D339-H461 IonicContact OD2-NE2 3.78Å; K344-H461 HydrophobicContact CG-CB 4.34Å; F350-H461 AromaticContact CZ-CE1 3.62Å |
| 462 | R | 89.7 | Confident | 93.4 | Very high | 113 Ų | 113 | 41.9 Ų | 41.9 | 43% | 0.426 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -34.6 | 173.7 | -74.6 | 176.6 | 82.6 | -113.7 | 4.4 | 115.3 | H369 S371 D372 H460 | H369-R462 WeakPolarHBondContact CD2-CD 3.32Å; H369-R462 VanDerWaalsContact CG-CZ 3.48Å; S371-R462 PolarHBondContact OG-NH1 2.98Å; D372-R462 IonicContact OD1-CZ 2.79Å; D372-R462 IonicContact OD1-NH1 2.53Å; D372-R462 PolarHBondContact OD1-NH1 3.05Å; D372-R462 IonicContact OD1-NH2 3.7Å; D372-R462 PolarHBondContact OD1-NH2 3.41Å; D372-R462 IonicContact OD2-NH1 2.78Å; D372-R462 IonicContact OD2-NH2 2.99Å; H460-R462 PolarHBondContact ND1-N 3.48Å; H460-R462 VanDerWaalsContact ND1-N 3.13Å; H460-R462 PolarHBondContact O-N 3.45Å; H460-R462 VanDerWaalsContact O-N 3.08Å |
| 463 | A | 90.1 | Very high | 93.1 | Very high | 26 Ų | 26 | 44.4 Ų | 44.4 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -3.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F374 H460 K466 | F374-A463 HydrophobicContact CD2-CB 4.27Å; F374-A463 HydrophobicContact CE2-CB 4.47Å; H460-A463 HydrophobicContact CB-CB 3.84Å; H460-A463 PolarHBondContact ND1-N 3.46Å; H460-A463 PolarHBondContact O-N 3.44Å; A463-K466 WeakPolarHBondContact O-CB 3.39Å; A463-K466 PolarHBondContact O-N 3.13Å |
| 464 | G | 90.4 | Very high | 92.8 | Very high | 30 Ų | 30 | 45.6 Ų | 45.6 | 31% | 0.309 | 23% | 0.227 | S | C | . | . | B | Isolated β-bridge | trans | 58.7 | -137.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | H460 K466 | H460-G464 PolarHBondContact N-O 3.18Å; H460-G464 VanDerWaalsContact O-CA 3.28Å; H460-G464 WeakPolarHBondContact O-CA 3.45Å; H460-G464 PolarHBondContact O-N 3.3Å; G464-K466 VanDerWaalsContact C-N 3.29Å |
| 465 | N | 92 | Very high | 92.8 | Very high | 134 Ų | 134 | 42.5 Ų | 42.5 | 72% | 0.717 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 15.6 | 178.7 | -62.5 | -30.8 | 0 | 0 | 0 | 113 | P459 W467 | P459-N465 WeakPolarHBondContact CB-OD1 3.26Å; P459-N465 VanDerWaalsContact CG-OD1 3.22Å; P459-N465 WeakPolarHBondContact CG-OD1 2.91Å; N465-W467 PolarHBondContact O-N 3.32Å |
| 466 | K | 93.7 | Very high | 92.8 | Very high | 114 Ų | 114 | 42.2 Ų | 42.2 | 50% | 0.496 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -29.3 | 179.5 | -176.6 | 176.4 | 174.3 | 178.4 | 0 | 112 | D375 A463 G464 | D375-K466 WeakPolarHBondContact OD1-CE 3.2Å; D375-K466 IonicContact OD1-NZ 3.68Å; D375-K466 PolarHBondContact OD1-NZ 2.87Å; D375-K466 IonicContact OD2-NZ 3.73Å; D375-K466 PolarHBondContact OD2-NZ 3.38Å; A463-K466 WeakPolarHBondContact O-CB 3.39Å; A463-K466 PolarHBondContact O-N 3.13Å; G464-K466 VanDerWaalsContact C-N 3.29Å |
| 467 | W | 94.5 | Very high | 92.8 | Very high | 17 Ų | 17 | 41 Ų | 41 | 6% | 0.064 | 21% | 0.209 | C | C | . | . | trans | -131.7 | 140.9 | -176.1 | -55.9 | 101.7 | 0 | 0 | 0 | 110.6 | F374 D375 Y378 K426 N465 I469 Y470 | F374-W467 HydrophobicContact CB-CZ2 4.4Å; F374-W467 AromaticContact CD2-CD1 3.82Å; D375-W467 WeakPolarHBondContact OD1-CZ2 3.36Å; Y378-W467 HydrophobicContact CD1-CH2 4.16Å; Y378-W467 HydrophobicContact CD1-CZ3 4.28Å; Y378-W467 HydrophobicContact CD2-CH2 4.33Å; Y378-W467 AromaticContact CD2-CZ3 3.77Å; Y378-W467 HydrophobicContact CD2-CZ3 3.77Å; Y378-W467 HydrophobicContact CE2-CZ3 4.43Å; Y378-W467 AromaticContact CG-CH2 3.77Å; Y378-W467 HydrophobicContact CG-CH2 3.77Å; Y378-W467 AromaticContact CG-CZ3 3.68Å; Y378-W467 HydrophobicContact CG-CZ3 3.68Å; K426-W467 HydrophobicContact CD-CE3 4.47Å; K426-W467 HydrophobicContact CD-CZ3 3.87Å; K426-W467 HydrophobicContact CG-CE3 4.28Å; K426-W467 HydrophobicContact CG-CZ3 4.17Å; N465-W467 PolarHBondContact O-N 3.32Å; W467-I469 HydrophobicContact CE3-CG1 4.35Å; W467-Y470 HydrophobicContact CB-CE1 4.33Å; W467-Y470 PolarHBondContact O-OH 3.3Å; W467-Y470 VanDerWaalsContact O-OH 3.07Å | ||
| 468 | C | 94.5 | Very high | 92.9 | Very high | 17 Ų | 17 | 36.2 Ų | 36.2 | 12% | 0.115 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -114.6 | -1.5 | 163.9 | 61.5 | 0 | 0 | 0 | 0 | 112.1 | M425 K426 I455 K456 Y457 | M425-C468 PolarHBondContact O-SG 3.35Å; K426-C468 PolarHBondContact O-SG 2.99Å; I455-C468 WeakPolarHBondContact CA-O 3.4Å; K456-C468 CarbonylContact C-O 3.57Å; K456-C468 PolarHBondContact N-O 3.31Å; K456-C468 VanDerWaalsContact O-O 3.08Å; Y457-C468 HydrophobicContact CD1-CB 3.83Å; Y457-C468 HydrophobicContact CE1-CB 3.75Å |
| 469 | I | 96.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 136.9 | 172.9 | 57.9 | 167.9 | 0 | 0 | 0 | 109.5 | Y378 F422 M425 K426 Y453 R454 I455 W467 | Y378-I469 HydrophobicContact CD2-CD1 3.99Å; Y378-I469 HydrophobicContact CE2-CD1 3.89Å; F422-I469 HydrophobicContact CD2-CD1 4.48Å; F422-I469 HydrophobicContact CE2-CD1 3.72Å; F422-I469 HydrophobicContact CZ-CD1 3.81Å; M425-I469 HydrophobicContact CB-CG2 3.87Å; M425-I469 HydrophobicContact CE-CG2 4.36Å; M425-I469 WeakPolarHBondContact O-CG2 3.35Å; K426-I469 HydrophobicContact CB-CD1 3.7Å; K426-I469 HydrophobicContact CB-CG1 4.21Å; K426-I469 HydrophobicContact CG-CD1 4.33Å; Y453-I469 HydrophobicContact CD1-CB 4.09Å; Y453-I469 HydrophobicContact CD1-CD1 4.03Å; Y453-I469 HydrophobicContact CD1-CG1 4.14Å; Y453-I469 HydrophobicContact CE1-CD1 4.33Å; Y453-I469 HydrophobicContact CE1-CG1 4.45Å; R454-I469 CarbonylContact O-C 3.58Å; R454-I469 WeakPolarHBondContact O-CA 3.31Å; I455-I469 HydrophobicContact CG1-CG2 3.95Å; W467-I469 HydrophobicContact CE3-CG1 4.35Å |
| 470 | Y | 96.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 135.4 | -176.2 | -63.7 | -80 | 0 | 0 | 0 | 110.9 | P342 F374 Y453 R454 K456 V458 H460 W467 | P342-Y470 HydrophobicContact CB-CD1 4.24Å; P342-Y470 HydrophobicContact CB-CD2 4.23Å; P342-Y470 HydrophobicContact CB-CE1 3.72Å; P342-Y470 HydrophobicContact CB-CE2 3.67Å; P342-Y470 HydrophobicContact CB-CG 4.47Å; P342-Y470 WeakPolarHBondContact CB-OH 3.21Å; P342-Y470 HydrophobicContact CG-CD1 4.38Å; P342-Y470 HydrophobicContact CG-CD2 3.71Å; P342-Y470 HydrophobicContact CG-CE1 4.24Å; P342-Y470 HydrophobicContact CG-CE2 3.51Å; P342-Y470 HydrophobicContact CG-CG 4.12Å; F374-Y470 HydrophobicContact CE2-CD1 4.03Å; F374-Y470 HydrophobicContact CE2-CE1 4.07Å; F374-Y470 HydrophobicContact CZ-CD1 4.2Å; Y453-Y470 WeakPolarHBondContact CA-O 3.42Å; Y453-Y470 VanDerWaalsContact CD1-C 3.5Å; R454-Y470 PolarHBondContact N-O 3.48Å; R454-Y470 PolarHBondContact O-N 2.84Å; K456-Y470 HydrophobicContact CB-CD2 3.94Å; K456-Y470 HydrophobicContact CB-CE2 4.11Å; K456-Y470 WeakPolarHBondContact O-CE2 3.32Å; V458-Y470 PolarHBondContact O-OH 2.81Å; H460-Y470 HydrophobicContact CB-CE1 4Å; H460-Y470 AromaticContact CD2-CE1 3.83Å; H460-Y470 PolarHBondContact N-OH 2.6Å; W467-Y470 HydrophobicContact CB-CE1 4.33Å; W467-Y470 PolarHBondContact O-OH 3.3Å; W467-Y470 VanDerWaalsContact O-OH 3.07Å |
| 471 | P | 96.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 155.9 | 176.5 | 29.7 | -33.8 | 0 | 0 | 0 | 111 | T340 F374 L377 A452 Y453 R454 Y475 T476 | T340-P471 HydrophobicContact CG2-CG 4.48Å; F374-P471 HydrophobicContact CD1-CG 4.17Å; F374-P471 HydrophobicContact CE1-CG 4.01Å; L377-P471 HydrophobicContact CD1-CG 4.15Å; A452-P471 CarbonylContact O-C 3.59Å; A452-P471 VanDerWaalsContact O-CA 3.25Å; A452-P471 WeakPolarHBondContact O-CA 3.19Å; Y453-P471 HydrophobicContact CD1-CB 4.36Å; Y453-P471 HydrophobicContact CD2-CB 4.34Å; Y453-P471 HydrophobicContact CE1-CB 3.95Å; Y453-P471 HydrophobicContact CE1-CG 4.25Å; Y453-P471 HydrophobicContact CE2-CB 3.91Å; R454-P471 PolarHBondContact NH1-O 3.31Å; P471-Y475 HydrophobicContact CB-CD1 3.77Å; P471-Y475 HydrophobicContact CB-CE1 4.5Å; P471-T476 VanDerWaalsContact CB-OG1 3.31Å; P471-T476 WeakPolarHBondContact CB-OG1 3.45Å; P471-T476 WeakPolarHBondContact CG-OG1 3.33Å |
| 472 | T | 94.4 | Very high | 94.4 | Very high | 19 Ų | 19 | 27.7 Ų | 27.7 | 12% | 0.117 | 14% | 0.142 | C | C | . | . | trans | -82.6 | 161.9 | 171.9 | 61.2 | 0 | 0 | 0 | 0 | 110.9 | V451 A452 D474 Y475 T476 | V451-T472 HydrophobicContact CB-CG2 4.3Å; V451-T472 HydrophobicContact CG1-CG2 3.92Å; V451-T472 VanDerWaalsContact O-CG2 3.24Å; V451-T472 WeakPolarHBondContact O-CG2 3.48Å; V451-T472 PolarHBondContact O-OG1 2.94Å; A452-T472 PolarHBondContact O-N 3.06Å; A452-T472 PolarHBondContact O-OG1 3.45Å; T472-D474 VanDerWaalsContact C-N 3.29Å; T472-D474 PolarHBondContact O-N 3.23Å; T472-Y475 PolarHBondContact O-N 3.04Å; T472-Y475 PolarHBondContact OG1-N 3.08Å; T472-T476 WeakPolarHBondContact O-CB 3.2Å; T472-T476 PolarHBondContact O-N 2.77Å; T472-T476 PolarHBondContact O-OG1 2.93Å | ||
| 473 | Y | 90.7 | Very high | 94.7 | Very high | 53 Ų | 53 | 24.6 Ų | 24.6 | 21% | 0.208 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -50.8 | -50.3 | 173.3 | -176.7 | -89.3 | 0 | 0 | 0 | 111.9 | D338 Y475 T476 H477 F495 | D338-Y473 WeakPolarHBondContact OD2-CD2 3.31Å; D338-Y473 WeakPolarHBondContact OD2-CE2 3.5Å; Y473-Y475 VanDerWaalsContact C-N 3.27Å; Y473-Y475 PolarHBondContact O-N 3.35Å; Y473-T476 PolarHBondContact O-N 3.45Å; Y473-T476 VanDerWaalsContact O-N 3.11Å; Y473-H477 HydrophobicContact CE1-CB 4.21Å; Y473-H477 AromaticContact CZ-CD2 3.76Å; Y473-H477 WeakPolarHBondContact O-CB 3.34Å; Y473-H477 PolarHBondContact O-N 3.47Å; Y473-H477 PolarHBondContact OH-CD2 3.11Å; Y473-F495 HydrophobicContact CE1-CD1 4.17Å; Y473-F495 AromaticContact CE1-CE1 3.77Å; Y473-F495 HydrophobicContact CE1-CE1 3.77Å |
| 474 | D | 90.7 | Very high | 95.1 | Very high | 27 Ų | 27 | 23.6 Ų | 23.6 | 14% | 0.144 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.1 | -34.4 | -176.4 | -64.9 | -21.5 | 0 | 0 | 0 | 112.4 | T472 R498 | T472-D474 VanDerWaalsContact C-N 3.29Å; T472-D474 PolarHBondContact O-N 3.23Å; D474-R498 WeakPolarHBondContact OD1-CD 3.34Å; D474-R498 IonicContact OD1-CZ 3.13Å; D474-R498 IonicContact OD1-NE 3.3Å; D474-R498 IonicContact OD1-NH1 3.81Å; D474-R498 PolarHBondContact OD1-NH1 2.86Å; D474-R498 IonicContact OD2-NH1 2.81Å |
| 475 | Y | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -77.7 | -36.5 | 175.6 | -176.6 | -96.5 | 0 | 0 | 0 | 112.5 | L377 L380 A381 L384 M439 A452 Y453 P471 T472 Y473 L479 L505 | L377-Y475 HydrophobicContact CB-CE1 4.21Å; L377-Y475 HydrophobicContact CD2-CD1 4.42Å; L377-Y475 HydrophobicContact CD2-CE1 4.09Å; L377-Y475 PolarHBondContact O-OH 3.31Å; L380-Y475 VanDerWaalsContact C-OH 3.26Å; A381-Y475 WeakPolarHBondContact CA-OH 3.03Å; A381-Y475 WeakPolarHBondContact CB-OH 3.41Å; A381-Y475 PolarHBondContact N-OH 3.49Å; L384-Y475 HydrophobicContact CD2-CE2 4.18Å; M439-Y475 HydrophobicContact SD-CD2 3.89Å; A452-Y475 HydrophobicContact CB-CD2 3.54Å; A452-Y475 HydrophobicContact CB-CE2 4.13Å; A452-Y475 HydrophobicContact CB-CG 3.88Å; Y453-Y475 HydrophobicContact CD2-CD1 4.4Å; Y453-Y475 HydrophobicContact CD2-CE1 4.35Å; Y453-Y475 AromaticContact CE2-CD1 3.78Å; Y453-Y475 HydrophobicContact CE2-CD1 3.78Å; Y453-Y475 AromaticContact CE2-CE1 3.45Å; Y453-Y475 HydrophobicContact CE2-CE1 3.45Å; Y453-Y475 VanDerWaalsContact CE2-CE1 3.45Å; P471-Y475 HydrophobicContact CB-CD1 3.77Å; P471-Y475 HydrophobicContact CB-CE1 4.5Å; T472-Y475 PolarHBondContact O-N 3.04Å; T472-Y475 PolarHBondContact OG1-N 3.08Å; Y473-Y475 VanDerWaalsContact C-N 3.27Å; Y473-Y475 PolarHBondContact O-N 3.35Å; Y475-L479 HydrophobicContact CD1-CD1 4.09Å; Y475-L479 HydrophobicContact CD2-CD1 4.34Å; Y475-L479 HydrophobicContact CE1-CD1 3.6Å; Y475-L479 HydrophobicContact CE2-CD1 3.88Å; Y475-L479 HydrophobicContact CG-CD1 4.43Å; Y475-L479 VanDerWaalsContact CZ-CD1 3.48Å; Y475-L479 VanDerWaalsContact O-CD1 3.28Å; Y475-L479 WeakPolarHBondContact O-CD1 3.4Å; Y475-L479 VanDerWaalsContact O-CG 3.26Å; Y475-L479 WeakPolarHBondContact O-CG 3.42Å; Y475-L505 HydrophobicContact CD2-CD1 4.22Å; Y475-L505 HydrophobicContact CD2-CD2 3.53Å; Y475-L505 HydrophobicContact CE2-CD1 4Å; Y475-L505 HydrophobicContact CE2-CD2 4Å; Y475-L505 HydrophobicContact CG-CD2 4.17Å |
| 476 | T | 96.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.012 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -79.1 | -47.8 | -170.7 | -57.6 | 0 | 0 | 0 | 0 | 112 | T340 L377 P471 T472 Y473 C478 L479 C480 | T340-T476 HydrophobicContact CG2-CG2 3.58Å; T340-T476 WeakPolarHBondContact CG2-OG1 3.1Å; L377-T476 HydrophobicContact CD1-CG2 3.89Å; P471-T476 VanDerWaalsContact CB-OG1 3.31Å; P471-T476 WeakPolarHBondContact CB-OG1 3.45Å; P471-T476 WeakPolarHBondContact CG-OG1 3.33Å; T472-T476 WeakPolarHBondContact O-CB 3.2Å; T472-T476 PolarHBondContact O-N 2.77Å; T472-T476 PolarHBondContact O-OG1 2.93Å; Y473-T476 PolarHBondContact O-N 3.45Å; Y473-T476 VanDerWaalsContact O-N 3.11Å; T476-C478 PolarHBondContact O-N 2.77Å; T476-L479 PolarHBondContact O-N 2.95Å; T476-C480 WeakPolarHBondContact O-CB 3.48Å; T476-C480 PolarHBondContact O-N 2.75Å; T476-C480 PolarHBondContact O-SG 3.35Å |
| 477 | H | 93.7 | Very high | 95.8 | Very high | 16 Ų | 16 | 12.3 Ų | 12.3 | 7% | 0.074 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.4 | -47 | -161.5 | -173.2 | -81 | 0 | 0 | 0 | 112.9 | R302 P304 R336 Y473 D481 Y502 | R302-H477 PolarHBondContact NH2-CE1 2.93Å; P304-H477 WeakPolarHBondContact CG-NE2 3.3Å; R336-H477 PolarHBondContact NH2-CD2 3.06Å; R336-H477 PolarHBondContact NH2-NE2 3.07Å; Y473-H477 HydrophobicContact CE1-CB 4.21Å; Y473-H477 AromaticContact CZ-CD2 3.76Å; Y473-H477 WeakPolarHBondContact O-CB 3.34Å; Y473-H477 PolarHBondContact O-N 3.47Å; Y473-H477 PolarHBondContact OH-CD2 3.11Å; H477-D481 IonicContact CE1-OD1 2.7Å; H477-D481 IonicContact CE1-OD2 2.72Å; H477-D481 PolarHBondContact CE1-OD2 2.8Å; H477-D481 IonicContact ND1-OD2 2.73Å; H477-D481 WeakPolarHBondContact O-CB 3.46Å; H477-D481 PolarHBondContact O-N 3.28Å; H477-Y502 AromaticContact ND1-CE2 3.9Å |
| 478 | C | 94.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.007 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -69.7 | -34.7 | 179.7 | 61.9 | 0 | 0 | 0 | 0 | 113.1 | T476 D481 S482 Y502 L505 | T476-C478 PolarHBondContact O-N 2.77Å; C478-D481 PolarHBondContact O-N 3.4Å; C478-S482 WeakPolarHBondContact O-CB 3.48Å; C478-S482 PolarHBondContact O-N 2.93Å; C478-Y502 HydrophobicContact CB-CD1 3.58Å; C478-Y502 HydrophobicContact CB-CD2 3.41Å; C478-Y502 VanDerWaalsContact CB-CD2 3.41Å; C478-Y502 HydrophobicContact CB-CE1 3.66Å; C478-Y502 HydrophobicContact CB-CE2 3.48Å; C478-Y502 VanDerWaalsContact CB-CE2 3.48Å; C478-Y502 HydrophobicContact CB-CG 3.43Å; C478-Y502 VanDerWaalsContact CB-CG 3.43Å; C478-L505 VanDerWaalsContact SG-CD2 3.58Å |
| 479 | L | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -71.1 | -42.5 | 178.9 | -64.8 | -174.7 | 0 | 0 | 0 | 111 | L377 L380 Y475 T476 S482 M483 L505 L509 L511 | L377-L479 HydrophobicContact CD2-CB 3.6Å; L377-L479 HydrophobicContact CD2-CD1 3.69Å; L377-L479 HydrophobicContact CD2-CG 4.28Å; L380-L479 HydrophobicContact CB-CD1 4.45Å; L380-L479 HydrophobicContact CD1-CD1 4.04Å; L380-L479 HydrophobicContact CD1-CD2 4.27Å; Y475-L479 HydrophobicContact CD1-CD1 4.09Å; Y475-L479 HydrophobicContact CD2-CD1 4.34Å; Y475-L479 HydrophobicContact CE1-CD1 3.6Å; Y475-L479 HydrophobicContact CE2-CD1 3.88Å; Y475-L479 HydrophobicContact CG-CD1 4.43Å; Y475-L479 VanDerWaalsContact CZ-CD1 3.48Å; Y475-L479 VanDerWaalsContact O-CD1 3.28Å; Y475-L479 WeakPolarHBondContact O-CD1 3.4Å; Y475-L479 VanDerWaalsContact O-CG 3.26Å; Y475-L479 WeakPolarHBondContact O-CG 3.42Å; T476-L479 PolarHBondContact O-N 2.95Å; L479-S482 WeakPolarHBondContact O-CB 3.5Å; L479-S482 PolarHBondContact O-N 2.81Å; L479-M483 VanDerWaalsContact C-CE 3.49Å; L479-M483 HydrophobicContact CB-CE 3.9Å; L479-M483 VanDerWaalsContact O-CE 3.28Å; L479-M483 WeakPolarHBondContact O-CE 3.42Å; L479-M483 VanDerWaalsContact O-CG 3.31Å; L479-M483 WeakPolarHBondContact O-CG 3.38Å; L479-M483 PolarHBondContact O-N 3.24Å; L479-L505 HydrophobicContact CD1-CD2 4.11Å; L479-L505 HydrophobicContact CD1-CG 4.42Å; L479-L505 HydrophobicContact CD2-CD2 4.38Å; L479-L505 HydrophobicContact CD2-CG 4.01Å; L479-L505 HydrophobicContact CG-CD2 4.04Å; L479-L505 HydrophobicContact CG-CG 4.22Å; L479-L509 HydrophobicContact CD1-CD1 4.35Å; L479-L509 HydrophobicContact CD2-CD1 3.88Å; L479-L511 HydrophobicContact CD2-CD1 3.54Å |
| 480 | C | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 172.1 | -72.4 | 0 | 0 | 0 | 0 | 111.8 | T476 S482 M483 E484 | T476-C480 WeakPolarHBondContact O-CB 3.48Å; T476-C480 PolarHBondContact O-N 2.75Å; T476-C480 PolarHBondContact O-SG 3.35Å; C480-S482 VanDerWaalsContact C-N 3.26Å; C480-S482 PolarHBondContact O-N 2.59Å; C480-M483 PolarHBondContact O-N 2.87Å; C480-E484 WeakPolarHBondContact O-CB 3.42Å; C480-E484 WeakPolarHBondContact O-CG 3.36Å; C480-E484 PolarHBondContact O-N 2.86Å |
| 481 | D | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.5 | -38.5 | 175.5 | -79.5 | -2.6 | 0 | 0 | 0 | 111.7 | R302 R336 H477 C478 N485 V486 S489 Y502 P514 | R302-D481 WeakPolarHBondContact CD-OD1 3.5Å; R302-D481 WeakPolarHBondContact CG-OD1 3.34Å; R302-D481 IonicContact CZ-OD2 2.89Å; R302-D481 IonicContact NE-OD1 3.98Å; R302-D481 PolarHBondContact NE-OD1 3.44Å; R302-D481 IonicContact NE-OD2 3.2Å; R302-D481 PolarHBondContact NE-OD2 3.07Å; R302-D481 IonicContact NH2-OD2 2.77Å; R336-D481 IonicContact CZ-OD1 2.63Å; R336-D481 IonicContact NH1-OD1 3.55Å; R336-D481 PolarHBondContact NH1-OD1 3.27Å; R336-D481 IonicContact NH2-OD1 3.78Å; R336-D481 PolarHBondContact NH2-OD1 2.96Å; H477-D481 IonicContact CE1-OD1 2.7Å; H477-D481 IonicContact CE1-OD2 2.72Å; H477-D481 PolarHBondContact CE1-OD2 2.8Å; H477-D481 IonicContact ND1-OD2 2.73Å; H477-D481 WeakPolarHBondContact O-CB 3.46Å; H477-D481 PolarHBondContact O-N 3.28Å; C478-D481 PolarHBondContact O-N 3.4Å; D481-N485 PolarHBondContact O-N 2.84Å; D481-V486 HydrophobicContact CB-CB 3.93Å; D481-V486 HydrophobicContact CB-CG1 4.44Å; D481-V486 HydrophobicContact CB-CG2 3.98Å; D481-V486 WeakPolarHBondContact O-CB 3.39Å; D481-V486 PolarHBondContact O-N 3.29Å; D481-S489 WeakPolarHBondContact OD2-CB 3.21Å; D481-S489 PolarHBondContact OD2-OG 2.66Å; D481-Y502 WeakPolarHBondContact CB-OH 3.3Å; D481-Y502 PolarHBondContact OD2-OH 3.48Å; D481-P514 HydrophobicContact CB-CG 3.92Å |
| 482 | S | 97.4 | Very high | 95.2 | Very high | 9 Ų | 9 | 13.1 Ų | 13.1 | 6% | 0.063 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.4 | -49.3 | 174.1 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | C478 L479 C480 E484 N485 Y512 | C478-S482 WeakPolarHBondContact O-CB 3.48Å; C478-S482 PolarHBondContact O-N 2.93Å; L479-S482 WeakPolarHBondContact O-CB 3.5Å; L479-S482 PolarHBondContact O-N 2.81Å; C480-S482 VanDerWaalsContact C-N 3.26Å; C480-S482 PolarHBondContact O-N 2.59Å; S482-E484 VanDerWaalsContact C-N 3.33Å; S482-E484 PolarHBondContact O-N 3.03Å; S482-N485 PolarHBondContact O-N 3.14Å; S482-N485 VanDerWaalsContact O-N 3.14Å; S482-Y512 VanDerWaalsContact CB-O 3.23Å; S482-Y512 WeakPolarHBondContact CB-O 3.29Å; S482-Y512 PolarHBondContact OG-N 3.03Å; S482-Y512 PolarHBondContact OG-O 3.14Å |
| 483 | M | 96.9 | Very high | 94.9 | Very high | 49 Ų | 49 | 15.9 Ų | 15.9 | 24% | 0.241 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.9 | -35.5 | -179.7 | -72.3 | -177.3 | -102.7 | 0 | 0 | 112.7 | Y373 R376 L377 L380 L479 C480 N485 | Y373-M483 HydrophobicContact CD1-CB 4.36Å; Y373-M483 HydrophobicContact CD1-CE 4.46Å; Y373-M483 HydrophobicContact CD1-SD 3.68Å; Y373-M483 HydrophobicContact CE1-CB 4.24Å; Y373-M483 HydrophobicContact CE1-SD 4.43Å; Y373-M483 HydrophobicContact CG-SD 4.27Å; R376-M483 HydrophobicContact CB-SD 3.91Å; R376-M483 HydrophobicContact CG-CE 4.27Å; R376-M483 HydrophobicContact CG-SD 3.42Å; R376-M483 WeakPolarHBondContact CG-SD 3.45Å; L377-M483 HydrophobicContact CD2-CE 3.77Å; L377-M483 HydrophobicContact CG-CE 4.14Å; L380-M483 HydrophobicContact CD1-CE 4.19Å; L479-M483 VanDerWaalsContact C-CE 3.49Å; L479-M483 HydrophobicContact CB-CE 3.9Å; L479-M483 VanDerWaalsContact O-CE 3.28Å; L479-M483 WeakPolarHBondContact O-CE 3.42Å; L479-M483 VanDerWaalsContact O-CG 3.31Å; L479-M483 WeakPolarHBondContact O-CG 3.38Å; L479-M483 PolarHBondContact O-N 3.24Å; C480-M483 PolarHBondContact O-N 2.87Å; M483-N485 PolarHBondContact O-N 2.76Å |
| 484 | E | 97.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 16.8 Ų | 16.8 | 2% | 0.019 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 1.5 | 177.1 | -70.3 | -179.5 | 163 | 0 | 0 | 113.2 | Y334 R336 T368 Y373 C480 S482 V486 | Y334-E484 HydrophobicContact CD1-CG 4.45Å; Y334-E484 HydrophobicContact CE1-CG 4.28Å; Y334-E484 HydrophobicContact CE2-CB 4.44Å; R336-E484 IonicContact CZ-OE2 2.88Å; R336-E484 IonicContact NH1-OE2 3.18Å; R336-E484 PolarHBondContact NH1-OE2 3.16Å; T368-E484 VanDerWaalsContact CB-OE1 3.28Å; T368-E484 WeakPolarHBondContact CB-OE1 3.41Å; T368-E484 PolarHBondContact OG1-OE1 2.91Å; Y373-E484 HydrophobicContact CE2-CG 4.45Å; Y373-E484 WeakPolarHBondContact OH-CG 3.42Å; Y373-E484 PolarHBondContact OH-OE1 3.49Å; C480-E484 WeakPolarHBondContact O-CB 3.42Å; C480-E484 WeakPolarHBondContact O-CG 3.36Å; C480-E484 PolarHBondContact O-N 2.86Å; S482-E484 VanDerWaalsContact C-N 3.33Å; S482-E484 PolarHBondContact O-N 3.03Å; E484-V486 VanDerWaalsContact C-N 3.26Å; E484-V486 HydrophobicContact CB-CG2 4.16Å; E484-V486 PolarHBondContact O-N 2.87Å |
| 485 | N | 96.8 | Very high | 94.3 | Very high | 42 Ų | 42 | 18.2 Ų | 18.2 | 23% | 0.225 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 41.9 | -176 | -71.5 | -81.5 | 0 | 0 | 0 | 112.7 | H291 T295 V300 D481 S482 M483 T487 | H291-N485 PolarHBondContact CE1-O 3.38Å; H291-N485 VanDerWaalsContact CE1-O 3.24Å; H291-N485 PolarHBondContact ND1-OD1 2.91Å; T295-N485 HydrophobicContact CG2-CB 3.71Å; V300-N485 WeakPolarHBondContact CB-O 3.48Å; D481-N485 PolarHBondContact O-N 2.84Å; S482-N485 PolarHBondContact O-N 3.14Å; S482-N485 VanDerWaalsContact O-N 3.14Å; M483-N485 PolarHBondContact O-N 2.76Å; N485-T487 PolarHBondContact O-N 3.24Å |
| 486 | V | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -62.1 | 126.7 | 174.6 | 171.8 | 0 | 0 | 0 | 0 | 109.2 | R302 D481 E484 H488 Y512 P514 | R302-V486 HydrophobicContact CB-CG2 4.41Å; R302-V486 HydrophobicContact CG-CG2 4.42Å; D481-V486 HydrophobicContact CB-CB 3.93Å; D481-V486 HydrophobicContact CB-CG1 4.44Å; D481-V486 HydrophobicContact CB-CG2 3.98Å; D481-V486 WeakPolarHBondContact O-CB 3.39Å; D481-V486 PolarHBondContact O-N 3.29Å; E484-V486 VanDerWaalsContact C-N 3.26Å; E484-V486 HydrophobicContact CB-CG2 4.16Å; E484-V486 PolarHBondContact O-N 2.87Å; V486-H488 WeakPolarHBondContact CG1-O 3.19Å; V486-Y512 WeakPolarHBondContact O-CE1 3.41Å; V486-Y512 PolarHBondContact O-OH 2.98Å; V486-P514 HydrophobicContact CB-CB 4.43Å; V486-P514 HydrophobicContact CB-CG 4.31Å; V486-P514 HydrophobicContact CG1-CB 4.39Å; V486-P514 VanDerWaalsContact O-CB 3.24Å; V486-P514 WeakPolarHBondContact O-CB 3.46Å; V486-P514 WeakPolarHBondContact O-CG 3.23Å | ||
| 487 | T | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -81.7 | -45.3 | 174.7 | 57.1 | 0 | 0 | 0 | 0 | 111 | H267 P269 H291 V300 N485 | H267-T487 PolarHBondContact CE1-O 2.94Å; H267-T487 PolarHBondContact NE2-O 3.3Å; P269-T487 HydrophobicContact CB-CG2 4.17Å; P269-T487 HydrophobicContact CG-CG2 4.35Å; H291-T487 WeakPolarHBondContact NE2-CG2 3.48Å; V300-T487 HydrophobicContact CB-CG2 4.15Å; V300-T487 HydrophobicContact CG2-CG2 4.34Å; V300-T487 PolarHBondContact N-OG1 2.68Å; V300-T487 PolarHBondContact O-N 3.08Å; V300-T487 PolarHBondContact O-OG1 3.49Å; N485-T487 PolarHBondContact O-N 3.24Å |
| 488 | H | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 105.9 | -173.5 | -61.9 | 71.8 | 0 | 0 | 0 | 108.8 | F266 H267 V300 T301 Y325 V486 L490 | F266-H488 WeakPolarHBondContact CB-NE2 3.36Å; F266-H488 AromaticContact CD2-CD2 3.8Å; F266-H488 AromaticContact CG-CD2 3.9Å; H267-H488 AromaticContact CE1-CD2 3.69Å; H267-H488 AromaticContact CE1-CE1 3.85Å; H267-H488 AromaticContact CE1-NE2 3.58Å; H267-H488 AromaticContact ND1-NE2 3.75Å; H267-H488 PolarHBondContact O-CE1 3.09Å; H267-H488 PolarHBondContact O-NE2 3.16Å; V300-H488 PolarHBondContact O-N 2.78Å; T301-H488 HydrophobicContact CG2-CB 4.21Å; Y325-H488 HydrophobicContact CE1-CB 4.28Å; Y325-H488 AromaticContact CE1-CD2 3.58Å; Y325-H488 AromaticContact CE1-CE1 3.74Å; Y325-H488 AromaticContact CE1-CG 3.63Å; Y325-H488 AromaticContact CE1-ND1 3.69Å; Y325-H488 AromaticContact CE1-NE2 3.64Å; Y325-H488 AromaticContact CZ-CD2 3.93Å; Y325-H488 AromaticContact CZ-NE2 3.7Å; Y325-H488 PolarHBondContact OH-NE2 3.43Å; V486-H488 WeakPolarHBondContact CG1-O 3.19Å; H488-L490 HydrophobicContact CB-CD2 3.83Å; H488-L490 HydrophobicContact CB-CG 4.23Å; H488-L490 PolarHBondContact O-N 2.92Å |
| 489 | S | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 86.5 | 176.3 | -170 | 0 | 0 | 0 | 0 | 108.4 | R302 D481 Y502 V515 Q516 W517 | R302-S489 PolarHBondContact NE-OG 2.84Å; R302-S489 PolarHBondContact NH2-OG 3.28Å; D481-S489 WeakPolarHBondContact OD2-CB 3.21Å; D481-S489 PolarHBondContact OD2-OG 2.66Å; S489-Y502 PolarHBondContact OG-OH 3.22Å; S489-V515 PolarHBondContact N-O 3.38Å; S489-Q516 CarbonylContact O-C 3.45Å; S489-Q516 VanDerWaalsContact O-CA 3.31Å; S489-Q516 WeakPolarHBondContact O-CA 3.49Å; S489-W517 PolarHBondContact O-N 2.97Å |
| 490 | L | 93.8 | Very high | 92.3 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 128.7 | -176.1 | -43.6 | 175.7 | 0 | 0 | 0 | 110.1 | F266 T301 R302 I321 D322 H488 W517 F519 | F266-L490 HydrophobicContact CD2-CD2 4.42Å; F266-L490 HydrophobicContact CE2-CD2 3.82Å; F266-L490 HydrophobicContact CZ-CD2 4.1Å; T301-L490 HydrophobicContact CG2-CD1 4.26Å; R302-L490 VanDerWaalsContact CZ-O 3.29Å; R302-L490 PolarHBondContact NH1-O 2.79Å; R302-L490 PolarHBondContact NH2-O 3.05Å; I321-L490 HydrophobicContact CG2-CB 4.17Å; I321-L490 HydrophobicContact CG2-CD1 3.49Å; I321-L490 VanDerWaalsContact CG2-CD1 3.49Å; I321-L490 HydrophobicContact CG2-CG 4.38Å; D322-L490 WeakPolarHBondContact OD1-CB 3.42Å; H488-L490 HydrophobicContact CB-CD2 3.83Å; H488-L490 HydrophobicContact CB-CG 4.23Å; H488-L490 PolarHBondContact O-N 2.92Å; L490-W517 CarbonylContact C-O 3.58Å; L490-W517 VanDerWaalsContact CA-O 3.29Å; L490-W517 WeakPolarHBondContact CA-O 3.27Å; L490-W517 HydrophobicContact CD2-CB 3.68Å; L490-W517 HydrophobicContact CD2-CG 4.24Å; L490-F519 HydrophobicContact CB-CD1 4.46Å; L490-F519 HydrophobicContact CB-CE1 4.06Å |
| 491 | C | 92.3 | Very high | 91.9 | Very high | 16 Ų | 16 | 32.1 Ų | 32.1 | 11% | 0.108 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 175.8 | 179.5 | 62 | 0 | 0 | 0 | 0 | 111.4 | F495 Q516 W517 E518 F519 | C491-F495 HydrophobicContact CB-CB 4.42Å; C491-F495 HydrophobicContact CB-CD2 4.42Å; C491-Q516 VanDerWaalsContact SG-CG 3.58Å; C491-W517 PolarHBondContact N-O 2.9Å; C491-E518 CarbonylContact O-C 3.58Å; C491-E518 WeakPolarHBondContact O-CA 3.28Å; C491-F519 WeakPolarHBondContact O-CD1 3.4Å; C491-F519 VanDerWaalsContact O-CE1 3.26Å; C491-F519 WeakPolarHBondContact O-CE1 3.43Å; C491-F519 PolarHBondContact O-N 3.24Å |
| 492 | T | 89.8 | Confident | 91.8 | Very high | 33 Ų | 33 | 32.6 Ų | 32.6 | 20% | 0.202 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 155.6 | 176.4 | 62.9 | 0 | 0 | 0 | 0 | 111.2 | E494 F495 F519 | T492-E494 WeakPolarHBondContact CB-OE2 2.88Å; T492-E494 PolarHBondContact O-N 3.03Å; T492-E494 PolarHBondContact OG1-OE2 3.41Å; T492-F495 PolarHBondContact O-N 3.34Å; T492-F495 WeakPolarHBondContact OG1-CD2 3.28Å; T492-F519 CarbonylContact C-O 3.59Å; T492-F519 VanDerWaalsContact CA-O 3.27Å; T492-F519 WeakPolarHBondContact CA-O 3.44Å; T492-F519 HydrophobicContact CG2-CD2 4.14Å; T492-F519 HydrophobicContact CG2-CE2 3.52Å; T492-F519 HydrophobicContact CG2-CZ 4.03Å |
| 493 | K | 87.9 | Confident | 91.6 | Very high | 77 Ų | 77 | 32.7 Ų | 32.7 | 34% | 0.335 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -55.3 | -24.2 | -176.6 | -175 | 172.1 | -179.7 | 176.3 | 0 | 114.9 | F495 Q496 E518 F519 T579 | K493-F495 PolarHBondContact O-N 2.71Å; K493-F495 VanDerWaalsContact O-N 3.14Å; K493-Q496 WeakPolarHBondContact O-CB 3.49Å; K493-Q496 PolarHBondContact O-N 3.35Å; K493-E518 HydrophobicContact CB-CB 4.47Å; K493-F519 PolarHBondContact N-O 3.07Å; K493-T579 WeakPolarHBondContact CD-O 3.37Å |
| 494 | E | 83.5 | Confident | 91.5 | Very high | 72 Ų | 72 | 33.1 Ų | 33.1 | 34% | 0.336 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -60 | -21.6 | 175.1 | -60.5 | 82.2 | -178.7 | 0 | 0 | 113.2 | T492 R521 Q581 | T492-E494 WeakPolarHBondContact CB-OE2 2.88Å; T492-E494 PolarHBondContact O-N 3.03Å; T492-E494 PolarHBondContact OG1-OE2 3.41Å; E494-R521 WeakPolarHBondContact OE1-CB 3.19Å; E494-R521 WeakPolarHBondContact OE1-CD 3.19Å; E494-Q581 PolarHBondContact OE1-NE2 3.38Å |
| 495 | F | 84.5 | Confident | 91.4 | Very high | 57 Ų | 57 | 33 Ų | 33 | 25% | 0.25 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -95.4 | 1.8 | 177.6 | -62.6 | -82.9 | 0 | 0 | 0 | 113.6 | Y473 C491 T492 K493 S497 R498 Q516 | Y473-F495 HydrophobicContact CE1-CD1 4.17Å; Y473-F495 AromaticContact CE1-CE1 3.77Å; Y473-F495 HydrophobicContact CE1-CE1 3.77Å; C491-F495 HydrophobicContact CB-CB 4.42Å; C491-F495 HydrophobicContact CB-CD2 4.42Å; T492-F495 PolarHBondContact O-N 3.34Å; T492-F495 WeakPolarHBondContact OG1-CD2 3.28Å; K493-F495 PolarHBondContact O-N 2.71Å; K493-F495 VanDerWaalsContact O-N 3.14Å; F495-S497 PolarHBondContact O-N 2.94Å; F495-R498 WeakPolarHBondContact O-CB 3.21Å; F495-R498 PolarHBondContact O-N 2.69Å; F495-R498 VanDerWaalsContact O-N 3.09Å; F495-Q516 PolarHBondContact O-NE2 3.27Å |
| 496 | Q | 86.7 | Confident | 91.4 | Very high | 86 Ų | 86 | 31 Ų | 31 | 40% | 0.402 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -56.1 | -41.8 | 179.7 | -176.7 | 179.1 | 6.7 | 0 | 0 | 111.6 | K493 R498 R499 E518 | K493-Q496 WeakPolarHBondContact O-CB 3.49Å; K493-Q496 PolarHBondContact O-N 3.35Å; Q496-R498 PolarHBondContact O-N 2.95Å; Q496-R499 WeakPolarHBondContact O-CB 3.15Å; Q496-R499 PolarHBondContact O-N 3.01Å; Q496-R499 VanDerWaalsContact O-N 3.1Å; Q496-E518 HydrophobicContact CB-CG 4Å; Q496-E518 HydrophobicContact CG-CG 4.5Å |
| 497 | S | 84.9 | Confident | 91.3 | Very high | 45 Ų | 45 | 32 Ų | 32 | 32% | 0.315 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -68.6 | -25.1 | -176.4 | 71.6 | 0 | 0 | 0 | 0 | 112.3 | E445 F495 R499 S500 | E445-S497 VanDerWaalsContact CD-OG 3.22Å; E445-S497 WeakPolarHBondContact OE1-CA 3.21Å; E445-S497 WeakPolarHBondContact OE1-CB 3.41Å; E445-S497 PolarHBondContact OE1-OG 2.82Å; F495-S497 PolarHBondContact O-N 2.94Å; S497-R499 VanDerWaalsContact C-N 3.31Å; S497-R499 PolarHBondContact O-N 2.89Å; S497-S500 PolarHBondContact O-OG 3.48Å |
| 498 | R | 85.2 | Confident | 91.2 | Very high | 89 Ų | 89 | 32.9 Ų | 32.9 | 34% | 0.336 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -80.4 | -4.5 | 174.3 | -51.8 | -161.3 | -173.9 | -179.7 | 1.6 | 114.3 | D474 F495 Q496 S500 S501 Y502 | D474-R498 WeakPolarHBondContact OD1-CD 3.34Å; D474-R498 IonicContact OD1-CZ 3.13Å; D474-R498 IonicContact OD1-NE 3.3Å; D474-R498 IonicContact OD1-NH1 3.81Å; D474-R498 PolarHBondContact OD1-NH1 2.86Å; D474-R498 IonicContact OD2-NH1 2.81Å; F495-R498 WeakPolarHBondContact O-CB 3.21Å; F495-R498 PolarHBondContact O-N 2.69Å; F495-R498 VanDerWaalsContact O-N 3.09Å; Q496-R498 PolarHBondContact O-N 2.95Å; R498-S500 PolarHBondContact O-N 3.19Å; R498-S501 PolarHBondContact O-N 3.13Å; R498-S501 PolarHBondContact O-OG 3.15Å; R498-Y502 PolarHBondContact O-N 3.22Å |
| 499 | R | 90 | Very high | 91.2 | Very high | 65 Ų | 65 | 33.2 Ų | 33.2 | 25% | 0.245 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.1 | -36.9 | 177 | -168.9 | -168.8 | -59.9 | 167.4 | -6.1 | 111.9 | Q496 S497 Y502 Y503 Q516 E518 | Q496-R499 WeakPolarHBondContact O-CB 3.15Å; Q496-R499 PolarHBondContact O-N 3.01Å; Q496-R499 VanDerWaalsContact O-N 3.1Å; S497-R499 VanDerWaalsContact C-N 3.31Å; S497-R499 PolarHBondContact O-N 2.89Å; R499-Y502 WeakPolarHBondContact O-CB 3.41Å; R499-Y502 PolarHBondContact O-N 3.37Å; R499-Y503 HydrophobicContact CG-CD2 4.16Å; R499-Y503 HydrophobicContact CG-CE1 4.23Å; R499-Y503 HydrophobicContact CG-CE2 3.79Å; R499-Y503 PolarHBondContact O-N 2.8Å; R499-Q516 HydrophobicContact CG-CB 4.14Å; R499-E518 IonicContact CZ-OE1 2.67Å; R499-E518 IonicContact CZ-OE2 3.45Å; R499-E518 IonicContact NE-OE1 3.27Å; R499-E518 PolarHBondContact NE-OE1 3.46Å; R499-E518 IonicContact NH2-OE1 3.9Å; R499-E518 PolarHBondContact NH2-OE1 2.73Å; R499-E518 IonicContact NH2-OE2 3.51Å; R499-E518 PolarHBondContact NH2-OE2 3.3Å |
| 500 | S | 89.1 | Confident | 91.2 | Very high | 22 Ų | 22 | 36 Ų | 36 | 15% | 0.154 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.6 | -49 | 176.8 | 59.5 | 0 | 0 | 0 | 0 | 111.7 | S497 R498 Y502 Y503 W504 | S497-S500 PolarHBondContact O-OG 3.48Å; R498-S500 PolarHBondContact O-N 3.19Å; S500-Y502 VanDerWaalsContact C-N 3.31Å; S500-Y502 PolarHBondContact O-N 2.93Å; S500-Y503 PolarHBondContact O-N 3.26Å; S500-W504 VanDerWaalsContact O-CB 3.24Å; S500-W504 WeakPolarHBondContact O-CB 3.36Å; S500-W504 PolarHBondContact O-N 2.97Å |
| 501 | S | 91.2 | Very high | 91.3 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 4% | 0.035 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.4 | -39.3 | 173.9 | 45.4 | 0 | 0 | 0 | 0 | 112.7 | R498 L505 | R498-S501 PolarHBondContact O-N 3.13Å; R498-S501 PolarHBondContact O-OG 3.15Å; S501-L505 VanDerWaalsContact O-CB 3.32Å; S501-L505 WeakPolarHBondContact O-CB 3.27Å; S501-L505 PolarHBondContact O-N 3.31Å |
| 502 | Y | 93.8 | Very high | 91.5 | Very high | 9 Ų | 9 | 37.1 Ų | 37.1 | 4% | 0.035 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.8 | -55.3 | 179 | -171.4 | -60.8 | 0 | 0 | 0 | 110.7 | H477 C478 D481 S489 R498 R499 S500 L505 C506 P514 | H477-Y502 AromaticContact ND1-CE2 3.9Å; C478-Y502 HydrophobicContact CB-CD1 3.58Å; C478-Y502 HydrophobicContact CB-CD2 3.41Å; C478-Y502 VanDerWaalsContact CB-CD2 3.41Å; C478-Y502 HydrophobicContact CB-CE1 3.66Å; C478-Y502 HydrophobicContact CB-CE2 3.48Å; C478-Y502 VanDerWaalsContact CB-CE2 3.48Å; C478-Y502 HydrophobicContact CB-CG 3.43Å; C478-Y502 VanDerWaalsContact CB-CG 3.43Å; D481-Y502 WeakPolarHBondContact CB-OH 3.3Å; D481-Y502 PolarHBondContact OD2-OH 3.48Å; S489-Y502 PolarHBondContact OG-OH 3.22Å; R498-Y502 PolarHBondContact O-N 3.22Å; R499-Y502 WeakPolarHBondContact O-CB 3.41Å; R499-Y502 PolarHBondContact O-N 3.37Å; S500-Y502 VanDerWaalsContact C-N 3.31Å; S500-Y502 PolarHBondContact O-N 2.93Å; Y502-L505 PolarHBondContact O-N 3.36Å; Y502-C506 PolarHBondContact O-N 2.82Å; Y502-P514 HydrophobicContact CE1-CB 4.38Å; Y502-P514 HydrophobicContact CE1-CG 4.5Å; Y502-P514 WeakPolarHBondContact OH-CB 3.39Å; Y502-P514 WeakPolarHBondContact OH-CG 3.06Å |
| 503 | Y | 94.3 | Very high | 91.8 | Very high | 12 Ų | 12 | 35.7 Ų | 35.7 | 5% | 0.047 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.3 | -41 | -177.8 | -68.7 | -11.6 | 0 | 0 | 0 | 111.8 | R499 S500 L505 N507 C513 P514 Q516 | R499-Y503 HydrophobicContact CG-CD2 4.16Å; R499-Y503 HydrophobicContact CG-CE1 4.23Å; R499-Y503 HydrophobicContact CG-CE2 3.79Å; R499-Y503 PolarHBondContact O-N 2.8Å; S500-Y503 PolarHBondContact O-N 3.26Å; Y503-L505 VanDerWaalsContact C-N 3.35Å; Y503-L505 PolarHBondContact O-N 2.79Å; Y503-N507 VanDerWaalsContact O-CB 3.28Å; Y503-N507 WeakPolarHBondContact O-CB 2.94Å; Y503-N507 PolarHBondContact O-N 2.87Å; Y503-N507 PolarHBondContact O-ND2 2.91Å; Y503-C513 WeakPolarHBondContact CD1-SG 3.21Å; Y503-P514 WeakPolarHBondContact CE1-O 3.47Å; Y503-Q516 HydrophobicContact CE1-CB 4.48Å; Y503-Q516 PolarHBondContact OH-N 3.07Å |
| 504 | W | 94.5 | Very high | 92.2 | Very high | 57 Ų | 57 | 32 Ų | 32 | 22% | 0.216 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57 | -48.3 | 176.7 | 176.3 | 83.4 | 0 | 0 | 0 | 111.7 | L384 H389 M439 V441 S500 N507 V508 | L384-W504 HydrophobicContact CD1-CH2 4.25Å; H389-W504 HydrophobicContact CB-CH2 4.34Å; H389-W504 HydrophobicContact CB-CZ2 4.18Å; M439-W504 HydrophobicContact CB-CH2 3.79Å; M439-W504 HydrophobicContact CB-CZ3 3.71Å; M439-W504 HydrophobicContact CG-CH2 4.43Å; M439-W504 HydrophobicContact CG-CZ3 4.07Å; M439-W504 HydrophobicContact SD-CZ3 3.75Å; V441-W504 HydrophobicContact CB-CD2 4Å; V441-W504 HydrophobicContact CB-CE3 4.35Å; V441-W504 HydrophobicContact CB-CH2 4.1Å; V441-W504 HydrophobicContact CB-CZ2 3.71Å; V441-W504 HydrophobicContact CB-CZ3 4.41Å; V441-W504 HydrophobicContact CG1-CD2 4.08Å; V441-W504 HydrophobicContact CG1-CE3 3.94Å; V441-W504 HydrophobicContact CG1-CH2 4.01Å; V441-W504 HydrophobicContact CG1-CZ2 4.12Å; V441-W504 HydrophobicContact CG1-CZ3 3.92Å; V441-W504 HydrophobicContact CG2-CD2 3.88Å; V441-W504 HydrophobicContact CG2-CG 3.97Å; V441-W504 HydrophobicContact CG2-CZ2 4.32Å; S500-W504 VanDerWaalsContact O-CB 3.24Å; S500-W504 WeakPolarHBondContact O-CB 3.36Å; S500-W504 PolarHBondContact O-N 2.97Å; W504-N507 PolarHBondContact O-N 3.39Å; W504-V508 HydrophobicContact CD2-CG1 4.43Å; W504-V508 HydrophobicContact CE3-CG1 4.43Å; W504-V508 HydrophobicContact CH2-CG1 4.25Å; W504-V508 HydrophobicContact CZ2-CG1 4.25Å; W504-V508 HydrophobicContact CZ2-CG2 4.31Å; W504-V508 HydrophobicContact CZ3-CG1 4.33Å; W504-V508 WeakPolarHBondContact O-CB 3.41Å; W504-V508 WeakPolarHBondContact O-CG1 3.31Å; W504-V508 PolarHBondContact O-N 2.93Å |
| 505 | L | 95.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.2 | -39.4 | -174.8 | -174.7 | 55.2 | 0 | 0 | 0 | 112.6 | L384 M439 Y475 C478 L479 S501 Y502 Y503 V508 L509 | L384-L505 HydrophobicContact CD1-CD1 4.33Å; L384-L505 HydrophobicContact CD2-CD1 4.02Å; M439-L505 HydrophobicContact SD-CD1 4.05Å; M439-L505 HydrophobicContact SD-CD2 3.97Å; Y475-L505 HydrophobicContact CD2-CD1 4.22Å; Y475-L505 HydrophobicContact CD2-CD2 3.53Å; Y475-L505 HydrophobicContact CE2-CD1 4Å; Y475-L505 HydrophobicContact CE2-CD2 4Å; Y475-L505 HydrophobicContact CG-CD2 4.17Å; C478-L505 VanDerWaalsContact SG-CD2 3.58Å; L479-L505 HydrophobicContact CD1-CD2 4.11Å; L479-L505 HydrophobicContact CD1-CG 4.42Å; L479-L505 HydrophobicContact CD2-CD2 4.38Å; L479-L505 HydrophobicContact CD2-CG 4.01Å; L479-L505 HydrophobicContact CG-CD2 4.04Å; L479-L505 HydrophobicContact CG-CG 4.22Å; S501-L505 VanDerWaalsContact O-CB 3.32Å; S501-L505 WeakPolarHBondContact O-CB 3.27Å; S501-L505 PolarHBondContact O-N 3.31Å; Y502-L505 PolarHBondContact O-N 3.36Å; Y503-L505 VanDerWaalsContact C-N 3.35Å; Y503-L505 PolarHBondContact O-N 2.79Å; L505-V508 HydrophobicContact CD1-CG1 4.35Å; L505-L509 HydrophobicContact CD1-CD1 3.82Å; L505-L509 HydrophobicContact CG-CD1 4.43Å |
| 506 | C | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.8 | -44.8 | 172.9 | -68.5 | 0 | 0 | 0 | 0 | 111.8 | Y502 D510 L511 C513 | Y502-C506 PolarHBondContact O-N 2.82Å; C506-D510 PolarHBondContact O-N 3.48Å; C506-L511 PolarHBondContact O-N 3.17Å; C506-C513 HydrophobicContact CB-CB 3.69Å |
| 507 | N | 94.8 | Very high | 93.5 | Very high | 21 Ų | 21 | 25.4 Ų | 25.4 | 11% | 0.112 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.8 | -41.4 | -174.4 | -73.9 | -27.7 | 0 | 0 | 0 | 112.8 | V279 T281 Y503 W504 L509 D510 | V279-N507 WeakPolarHBondContact CB-ND2 3.31Å; T281-N507 HydrophobicContact CG2-CB 3.84Å; Y503-N507 VanDerWaalsContact O-CB 3.28Å; Y503-N507 WeakPolarHBondContact O-CB 2.94Å; Y503-N507 PolarHBondContact O-N 2.87Å; Y503-N507 PolarHBondContact O-ND2 2.91Å; W504-N507 PolarHBondContact O-N 3.39Å; N507-L509 PolarHBondContact O-N 3.39Å; N507-D510 PolarHBondContact O-N 2.71Å |
| 508 | V | 94.9 | Very high | 93.8 | Very high | 20 Ų | 20 | 24.3 Ų | 24.3 | 12% | 0.121 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.2 | -25.1 | -178 | 77.2 | 0 | 0 | 0 | 0 | 112.6 | L384 R387 H389 W504 L505 | L384-V508 HydrophobicContact CD1-CG1 3.46Å; L384-V508 VanDerWaalsContact CD1-CG1 3.46Å; L384-V508 HydrophobicContact CD1-CG2 4.35Å; R387-V508 WeakPolarHBondContact CD-O 3.28Å; R387-V508 PolarHBondContact NH1-O 2.91Å; H389-V508 HydrophobicContact CB-CG2 3.97Å; H389-V508 WeakPolarHBondContact CD2-CG2 3.41Å; H389-V508 WeakPolarHBondContact NE2-CG2 3.1Å; W504-V508 HydrophobicContact CD2-CG1 4.43Å; W504-V508 HydrophobicContact CE3-CG1 4.43Å; W504-V508 HydrophobicContact CH2-CG1 4.25Å; W504-V508 HydrophobicContact CZ2-CG1 4.25Å; W504-V508 HydrophobicContact CZ2-CG2 4.31Å; W504-V508 HydrophobicContact CZ3-CG1 4.33Å; W504-V508 WeakPolarHBondContact O-CB 3.41Å; W504-V508 WeakPolarHBondContact O-CG1 3.31Å; W504-V508 PolarHBondContact O-N 2.93Å; L505-V508 HydrophobicContact CD1-CG1 4.35Å |
| 509 | L | 96.3 | Very high | 93.9 | Very high | 7 Ų | 7 | 20.4 Ų | 20.4 | 4% | 0.037 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 4.7 | 175.3 | -71.6 | 168 | 0 | 0 | 0 | 113.4 | L380 E383 L384 L479 L505 N507 L511 | L380-L509 HydrophobicContact CB-CD1 4.09Å; L380-L509 HydrophobicContact CD2-CD1 4.33Å; L380-L509 HydrophobicContact CD2-CD2 4.4Å; L380-L509 WeakPolarHBondContact O-CD2 3.49Å; E383-L509 HydrophobicContact CB-CD2 4.14Å; E383-L509 HydrophobicContact CG-CD2 3.99Å; L384-L509 HydrophobicContact CB-CD2 4.13Å; L384-L509 HydrophobicContact CD1-CD2 4.16Å; L384-L509 HydrophobicContact CD1-CG 4.17Å; L479-L509 HydrophobicContact CD1-CD1 4.35Å; L479-L509 HydrophobicContact CD2-CD1 3.88Å; L505-L509 HydrophobicContact CD1-CD1 3.82Å; L505-L509 HydrophobicContact CG-CD1 4.43Å; N507-L509 PolarHBondContact O-N 3.39Å; L509-L511 HydrophobicContact CB-CD1 3.85Å; L509-L511 HydrophobicContact CB-CG 3.84Å; L509-L511 HydrophobicContact CD1-CD1 4.22Å; L509-L511 PolarHBondContact O-N 3.27Å |
| 510 | D | 95.3 | Very high | 93.8 | Very high | 59 Ų | 59 | 17.3 Ų | 17.3 | 32% | 0.316 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 39.8 | -174.3 | -69.5 | -68.8 | 0 | 0 | 0 | 113.5 | N283 R387 C506 N507 | N283-D510 PolarHBondContact ND2-OD1 3.12Å; R387-D510 IonicContact CZ-OD2 2.74Å; R387-D510 IonicContact NH1-OD2 2.68Å; R387-D510 PolarHBondContact NH1-OD2 2.9Å; R387-D510 IonicContact NH2-OD2 3.93Å; C506-D510 PolarHBondContact O-N 3.48Å; N507-D510 PolarHBondContact O-N 2.71Å |
| 511 | L | 96.3 | Very high | 93.5 | Very high | 30 Ų | 30 | 20.9 Ų | 20.9 | 16% | 0.157 | 9% | 0.093 | C | C | . | . | trans | -98.4 | 155.5 | 177.6 | -61.9 | 175.3 | 0 | 0 | 0 | 111 | L380 L479 C506 L509 C513 | L380-L511 HydrophobicContact CD1-CD1 3.85Å; L380-L511 HydrophobicContact CD2-CD1 3.97Å; L380-L511 HydrophobicContact CD2-CD2 4.34Å; L479-L511 HydrophobicContact CD2-CD1 3.54Å; C506-L511 PolarHBondContact O-N 3.17Å; L509-L511 HydrophobicContact CB-CD1 3.85Å; L509-L511 HydrophobicContact CB-CG 3.84Å; L509-L511 HydrophobicContact CD1-CD1 4.22Å; L509-L511 PolarHBondContact O-N 3.27Å; L511-C513 PolarHBondContact O-N 3.06Å | ||
| 512 | Y | 96.7 | Very high | 93.3 | Very high | 13 Ų | 13 | 20.9 Ų | 20.9 | 5% | 0.051 | 9% | 0.093 | C | C | . | . | trans | -55.9 | 132.1 | 170.8 | 162.7 | -111.5 | 0 | 0 | 0 | 109.4 | N272 L288 H291 S482 V486 P514 | N272-Y512 PolarHBondContact ND2-OH 3.49Å; L288-Y512 HydrophobicContact CD2-CD2 4.17Å; L288-Y512 HydrophobicContact CD2-CE2 3.78Å; H291-Y512 HydrophobicContact CB-CD2 3.84Å; H291-Y512 HydrophobicContact CB-CE2 3.98Å; H291-Y512 HydrophobicContact CB-CG 4.14Å; H291-Y512 AromaticContact CD2-CE2 3.83Å; H291-Y512 AromaticContact CD2-CZ 3.86Å; H291-Y512 AromaticContact CE1-CE1 3.71Å; H291-Y512 AromaticContact CE1-CZ 3.5Å; H291-Y512 VanDerWaalsContact CE1-CZ 3.5Å; H291-Y512 PolarHBondContact CE1-OH 2.98Å; H291-Y512 AromaticContact CG-CD2 3.96Å; H291-Y512 AromaticContact CG-CE1 3.97Å; H291-Y512 AromaticContact CG-CE2 3.6Å; H291-Y512 AromaticContact CG-CZ 3.62Å; H291-Y512 AromaticContact ND1-CD1 3.88Å; H291-Y512 AromaticContact ND1-CE1 3.38Å; H291-Y512 WeakPolarHBondContact ND1-CE1 3.19Å; H291-Y512 AromaticContact ND1-CE2 3.88Å; H291-Y512 AromaticContact ND1-CZ 3.4Å; H291-Y512 AromaticContact NE2-CZ 3.8Å; H291-Y512 PolarHBondContact NE2-OH 3.37Å; S482-Y512 VanDerWaalsContact CB-O 3.23Å; S482-Y512 WeakPolarHBondContact CB-O 3.29Å; S482-Y512 PolarHBondContact OG-N 3.03Å; S482-Y512 PolarHBondContact OG-O 3.14Å; V486-Y512 WeakPolarHBondContact O-CE1 3.41Å; V486-Y512 PolarHBondContact O-OH 2.98Å; Y512-P514 HydrophobicContact CD1-CG 4.22Å; Y512-P514 HydrophobicContact CE1-CB 4.39Å; Y512-P514 HydrophobicContact CE1-CG 3.71Å; Y512-P514 VanDerWaalsContact O-CD 3.31Å; Y512-P514 WeakPolarHBondContact O-CD 3.29Å | ||
| 513 | C | 96.2 | Very high | 93 | Very high | 3 Ų | 3 | 22.5 Ų | 22.5 | 2% | 0.02 | 10% | 0.102 | C | C | . | . | trans | -111 | 104.1 | -175.9 | -170.8 | 0 | 0 | 0 | 0 | 109.8 | N272 Y278 Y503 C506 L511 | N272-C513 PolarHBondContact ND2-O 3.02Å; Y278-C513 HydrophobicContact CE2-CB 4.32Å; Y278-C513 VanDerWaalsContact CE2-O 3.31Å; Y278-C513 WeakPolarHBondContact CE2-O 3.4Å; Y278-C513 WeakPolarHBondContact OH-CB 3.48Å; Y278-C513 PolarHBondContact OH-O 3.4Å; Y503-C513 WeakPolarHBondContact CD1-SG 3.21Å; C506-C513 HydrophobicContact CB-CB 3.69Å; L511-C513 PolarHBondContact O-N 3.06Å | ||
| 514 | P | 96.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 152.7 | 170.7 | -23 | 32.5 | 0 | 0 | 0 | 111.8 | D481 V486 Y502 Y503 Y512 | D481-P514 HydrophobicContact CB-CG 3.92Å; V486-P514 HydrophobicContact CB-CB 4.43Å; V486-P514 HydrophobicContact CB-CG 4.31Å; V486-P514 HydrophobicContact CG1-CB 4.39Å; V486-P514 VanDerWaalsContact O-CB 3.24Å; V486-P514 WeakPolarHBondContact O-CB 3.46Å; V486-P514 WeakPolarHBondContact O-CG 3.23Å; Y502-P514 HydrophobicContact CE1-CB 4.38Å; Y502-P514 HydrophobicContact CE1-CG 4.5Å; Y502-P514 WeakPolarHBondContact OH-CB 3.39Å; Y502-P514 WeakPolarHBondContact OH-CG 3.06Å; Y503-P514 WeakPolarHBondContact CE1-O 3.47Å; Y512-P514 HydrophobicContact CD1-CG 4.22Å; Y512-P514 HydrophobicContact CE1-CB 4.39Å; Y512-P514 HydrophobicContact CE1-CG 3.71Å; Y512-P514 VanDerWaalsContact O-CD 3.31Å; Y512-P514 WeakPolarHBondContact O-CD 3.29Å |
| 515 | V | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 128.3 | 173.5 | -178 | 0 | 0 | 0 | 0 | 109.7 | H267 N272 T275 Y278 S489 W517 | H267-V515 VanDerWaalsContact CE1-CB 3.4Å; H267-V515 WeakPolarHBondContact CE1-CB 3.36Å; H267-V515 WeakPolarHBondContact CE1-CG2 3.48Å; N272-V515 HydrophobicContact CB-CG2 3.57Å; T275-V515 HydrophobicContact CG2-CG1 3.69Å; Y278-V515 HydrophobicContact CD2-CG2 3.95Å; Y278-V515 HydrophobicContact CE2-CG2 4Å; S489-V515 PolarHBondContact N-O 3.38Å; V515-W517 HydrophobicContact CG1-CZ2 4.4Å |
| 516 | Q | 94 | Very high | 92.5 | Very high | 12 Ų | 12 | 20.7 Ų | 20.7 | 6% | 0.056 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 129.2 | 173.3 | -171 | -180 | -68.2 | 0 | 0 | 110.5 | S489 C491 F495 R499 Y503 E518 | S489-Q516 CarbonylContact O-C 3.45Å; S489-Q516 VanDerWaalsContact O-CA 3.31Å; S489-Q516 WeakPolarHBondContact O-CA 3.49Å; C491-Q516 VanDerWaalsContact SG-CG 3.58Å; F495-Q516 PolarHBondContact O-NE2 3.27Å; R499-Q516 HydrophobicContact CG-CB 4.14Å; Y503-Q516 HydrophobicContact CE1-CB 4.48Å; Y503-Q516 PolarHBondContact OH-N 3.07Å; Q516-E518 PolarHBondContact NE2-OE1 2.53Å |
| 517 | W | 92.1 | Very high | 92.3 | Very high | 64 Ų | 64 | 21.1 Ų | 21.1 | 24% | 0.242 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.7 | 173.7 | -71.4 | 98.1 | 0 | 0 | 0 | 110.6 | F266 H267 T275 S489 L490 C491 V515 | F266-W517 AromaticContact CD1-CD2 3.42Å; F266-W517 HydrophobicContact CD1-CD2 3.42Å; F266-W517 VanDerWaalsContact CD1-CD2 3.42Å; F266-W517 AromaticContact CD1-CE2 3.52Å; F266-W517 AromaticContact CD1-CE3 3.77Å; F266-W517 HydrophobicContact CD1-CE3 3.77Å; F266-W517 AromaticContact CD1-CG 3.8Å; F266-W517 HydrophobicContact CD1-CG 3.8Å; F266-W517 HydrophobicContact CD1-CH2 4.25Å; F266-W517 AromaticContact CD1-CZ2 3.96Å; F266-W517 HydrophobicContact CD1-CZ2 3.96Å; F266-W517 HydrophobicContact CD1-CZ3 4.17Å; F266-W517 AromaticContact CD1-NE1 3.91Å; F266-W517 HydrophobicContact CE1-CB 4.05Å; F266-W517 AromaticContact CE1-CD2 3.57Å; F266-W517 HydrophobicContact CE1-CD2 3.57Å; F266-W517 AromaticContact CE1-CE3 3.7Å; F266-W517 HydrophobicContact CE1-CE3 3.7Å; F266-W517 AromaticContact CE1-CG 3.74Å; F266-W517 HydrophobicContact CE1-CG 3.74Å; F266-W517 HydrophobicContact CE1-CZ3 4.37Å; F266-W517 HydrophobicContact CG-CD2 4.33Å; F266-W517 HydrophobicContact CG-CG 4.43Å; F266-W517 HydrophobicContact CZ-CB 4.3Å; F266-W517 HydrophobicContact CZ-CG 4.32Å; H267-W517 AromaticContact CE1-NE1 3.89Å; H267-W517 AromaticContact ND1-NE1 3.5Å; H267-W517 PolarHBondContact ND1-NE1 2.86Å; T275-W517 HydrophobicContact CG2-CH2 4.05Å; T275-W517 HydrophobicContact CG2-CZ2 3.71Å; S489-W517 PolarHBondContact O-N 2.97Å; L490-W517 CarbonylContact C-O 3.58Å; L490-W517 VanDerWaalsContact CA-O 3.29Å; L490-W517 WeakPolarHBondContact CA-O 3.27Å; L490-W517 HydrophobicContact CD2-CB 3.68Å; L490-W517 HydrophobicContact CD2-CG 4.24Å; C491-W517 PolarHBondContact N-O 2.9Å; V515-W517 HydrophobicContact CG1-CZ2 4.4Å |
| 518 | E | 90.5 | Very high | 92 | Very high | 21 Ų | 21 | 20.2 Ų | 20.2 | 10% | 0.098 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 143.3 | -178.2 | -54.5 | 78.9 | -179.7 | 0 | 0 | 112.3 | C491 K493 Q496 R499 Q516 T579 | C491-E518 CarbonylContact O-C 3.58Å; C491-E518 WeakPolarHBondContact O-CA 3.28Å; K493-E518 HydrophobicContact CB-CB 4.47Å; Q496-E518 HydrophobicContact CB-CG 4Å; Q496-E518 HydrophobicContact CG-CG 4.5Å; R499-E518 IonicContact CZ-OE1 2.67Å; R499-E518 IonicContact CZ-OE2 3.45Å; R499-E518 IonicContact NE-OE1 3.27Å; R499-E518 PolarHBondContact NE-OE1 3.46Å; R499-E518 IonicContact NH2-OE1 3.9Å; R499-E518 PolarHBondContact NH2-OE1 2.73Å; R499-E518 IonicContact NH2-OE2 3.51Å; R499-E518 PolarHBondContact NH2-OE2 3.3Å; Q516-E518 PolarHBondContact NE2-OE1 2.53Å; E518-T579 WeakPolarHBondContact O-CG2 2.98Å |
| 519 | F | 88.2 | Confident | 91.4 | Very high | 8 Ų | 8 | 21.2 Ų | 21.2 | 4% | 0.035 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 156.7 | 168.9 | 54.2 | -95.6 | 0 | 0 | 0 | 110.9 | K317 A318 I321 L490 C491 T492 K493 | K317-F519 HydrophobicContact CD-CD2 4.26Å; K317-F519 HydrophobicContact CG-CD2 4.35Å; K317-F519 HydrophobicContact CG-CE2 4.31Å; A318-F519 HydrophobicContact CB-CE2 4.4Å; A318-F519 HydrophobicContact CB-CZ 3.94Å; I321-F519 HydrophobicContact CB-CE1 4.32Å; I321-F519 HydrophobicContact CD1-CB 3.95Å; I321-F519 HydrophobicContact CD1-CD1 3.7Å; I321-F519 HydrophobicContact CD1-CD2 3.62Å; I321-F519 HydrophobicContact CD1-CE1 4.05Å; I321-F519 HydrophobicContact CD1-CE2 3.96Å; I321-F519 HydrophobicContact CD1-CG 3.47Å; I321-F519 VanDerWaalsContact CD1-CG 3.47Å; I321-F519 HydrophobicContact CD1-CZ 4.18Å; I321-F519 HydrophobicContact CG2-CD1 3.9Å; I321-F519 HydrophobicContact CG2-CE1 3.85Å; L490-F519 HydrophobicContact CB-CD1 4.46Å; L490-F519 HydrophobicContact CB-CE1 4.06Å; C491-F519 WeakPolarHBondContact O-CD1 3.4Å; C491-F519 VanDerWaalsContact O-CE1 3.26Å; C491-F519 WeakPolarHBondContact O-CE1 3.43Å; C491-F519 PolarHBondContact O-N 3.24Å; T492-F519 CarbonylContact C-O 3.59Å; T492-F519 VanDerWaalsContact CA-O 3.27Å; T492-F519 WeakPolarHBondContact CA-O 3.44Å; T492-F519 HydrophobicContact CG2-CD2 4.14Å; T492-F519 HydrophobicContact CG2-CE2 3.52Å; T492-F519 HydrophobicContact CG2-CZ 4.03Å; K493-F519 PolarHBondContact N-O 3.07Å |
| 520 | G | 86.8 | Confident | 90.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -66.4 | 140 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K317 T578 A580 | K317-G520 WeakPolarHBondContact CE-O 3.44Å; K317-G520 PolarHBondContact NZ-O 3.12Å; G520-T578 PolarHBondContact N-O 3.06Å; G520-A580 WeakPolarHBondContact CA-O 3.4Å | ||
| 521 | R | 84.8 | Confident | 90.3 | Very high | 96 Ų | 96 | 24.1 Ų | 24.1 | 36% | 0.362 | 12% | 0.116 | S | C | . | . | trans | -67.6 | 142.4 | 174.6 | -176.9 | 174.5 | 177 | 165 | 7.1 | 110.9 | E494 N523 | E494-R521 WeakPolarHBondContact OE1-CB 3.19Å; E494-R521 WeakPolarHBondContact OE1-CD 3.19Å; R521-N523 PolarHBondContact NE-OD1 3.23Å | ||
| 522 | L | 85.8 | Confident | 89.7 | Confident | 6 Ų | 6 | 31.7 Ų | 31.7 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 113.2 | 174.4 | 168.9 | 57.8 | 0 | 0 | 0 | 109.7 | I313 K317 I524 F570 M575 I584 | I313-L522 HydrophobicContact CG1-CD2 4.1Å; K317-L522 HydrophobicContact CB-CB 4.24Å; K317-L522 HydrophobicContact CB-CD2 4.1Å; K317-L522 HydrophobicContact CD-CB 3.94Å; L522-I524 HydrophobicContact CD1-CG1 4.45Å; L522-F570 HydrophobicContact CD2-CE1 4.29Å; L522-M575 HydrophobicContact CB-CE 3.91Å; L522-M575 HydrophobicContact CD1-CE 3.73Å; L522-M575 HydrophobicContact CD1-CG 3.97Å; L522-M575 HydrophobicContact CD1-SD 3.67Å; L522-M575 HydrophobicContact CG-CE 4.41Å; L522-I584 HydrophobicContact CD1-CD1 3.38Å; L522-I584 HydrophobicContact CD1-CG1 3.91Å |
| 523 | N | 86.7 | Confident | 89.3 | Confident | 42 Ų | 42 | 33.4 Ų | 33.4 | 23% | 0.225 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 142.3 | 174.9 | -60.3 | -49.4 | 0 | 0 | 0 | 110 | R521 V582 T583 I584 | R521-N523 PolarHBondContact NE-OD1 3.23Å; N523-V582 PolarHBondContact N-O 2.79Å; N523-T583 HydrophobicContact CB-CG2 4.46Å; N523-T583 WeakPolarHBondContact O-CA 3.04Å; N523-I584 VanDerWaalsContact O-CG1 3.32Å; N523-I584 WeakPolarHBondContact O-CG1 3.31Å; N523-I584 PolarHBondContact O-N 3.23Å |
| 524 | I | 90 | Very high | 89 | Confident | 15 Ų | 15 | 33.5 Ų | 33.5 | 8% | 0.077 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139.3 | 178.8 | -57.8 | -160 | 0 | 0 | 0 | 108.9 | I313 L522 T527 F552 I584 P586 | I313-I524 HydrophobicContact CB-CD1 4.16Å; I313-I524 HydrophobicContact CG1-CD1 3.79Å; I313-I524 HydrophobicContact CG2-CD1 3.47Å; I313-I524 VanDerWaalsContact CG2-CD1 3.47Å; I313-I524 HydrophobicContact CG2-CG1 3.82Å; L522-I524 HydrophobicContact CD1-CG1 4.45Å; I524-T527 HydrophobicContact CB-CG2 4.13Å; I524-T527 HydrophobicContact CG2-CG2 4.34Å; I524-T527 WeakPolarHBondContact O-CG2 3.48Å; I524-F552 HydrophobicContact CD1-CD1 4Å; I524-F552 HydrophobicContact CD1-CE1 4.45Å; I524-F552 HydrophobicContact CG2-CD1 4.42Å; I524-F552 HydrophobicContact CG2-CE1 4.38Å; I524-I584 WeakPolarHBondContact CA-O 2.92Å; I524-I584 HydrophobicContact CD1-CD1 4.48Å; I524-I584 HydrophobicContact CG1-CD1 4.33Å; I524-I584 HydrophobicContact CG1-CG1 4.02Å; I524-P586 HydrophobicContact CG2-CB 4Å; I524-P586 HydrophobicContact CG2-CG 4.35Å |
| 525 | S | 92.4 | Very high | 88.6 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 6% | 0.056 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -77.3 | 165.4 | 175 | 59.6 | 0 | 0 | 0 | 0 | 112.8 | T527 I584 P586 K736 | S525-T527 PolarHBondContact O-N 3.27Å; S525-I584 PolarHBondContact N-O 3.04Å; S525-I584 PolarHBondContact OG-O 2.86Å; S525-P586 WeakPolarHBondContact OG-CD 3.3Å; S525-K736 CarbonylContact C-O 3.56Å; S525-K736 WeakPolarHBondContact CA-O 3.17Å; S525-K736 WeakPolarHBondContact CB-O 3.25Å |
| 526 | Y | 92.5 | Very high | 88.4 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 4% | 0.035 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 59.1 | 28.7 | -178.9 | -48.8 | -84.7 | 0 | 0 | 0 | 114.3 | D585 P586 R731 F733 H735 K736 | Y526-D585 WeakPolarHBondContact CE2-OD2 3.25Å; Y526-P586 HydrophobicContact CD2-CG 4.03Å; Y526-R731 VanDerWaalsContact CZ-NH1 3.34Å; Y526-R731 PolarHBondContact OH-NH1 3.26Å; Y526-F733 WeakPolarHBondContact O-CD2 3.34Å; Y526-H735 VanDerWaalsContact CD1-C 3.49Å; Y526-H735 WeakPolarHBondContact CD1-O 3.24Å; Y526-K736 HydrophobicContact CE1-CB 4.39Å; Y526-K736 HydrophobicContact CE1-CG 3.71Å; Y526-K736 HydrophobicContact CE2-CG 3.82Å; Y526-K736 PolarHBondContact N-O 3.3Å; Y526-K736 WeakPolarHBondContact OH-CE 3.3Å; Y526-K736 VanDerWaalsContact OH-CG 3.25Å; Y526-K736 WeakPolarHBondContact OH-CG 3.28Å |
| 527 | T | 92.1 | Very high | 88.4 | Confident | 10 Ų | 10 | 39.6 Ų | 39.6 | 6% | 0.061 | 18% | 0.179 | C | C | . | . | trans | -149.4 | 165.9 | 177.7 | -162.1 | 0 | 0 | 0 | 0 | 112.2 | I524 S525 V529 F552 | I524-T527 HydrophobicContact CB-CG2 4.13Å; I524-T527 HydrophobicContact CG2-CG2 4.34Å; I524-T527 WeakPolarHBondContact O-CG2 3.48Å; S525-T527 PolarHBondContact O-N 3.27Å; T527-V529 HydrophobicContact CG2-CG1 4.29Å; T527-F552 HydrophobicContact CG2-CB 4.38Å; T527-F552 HydrophobicContact CG2-CD2 3.92Å; T527-F552 HydrophobicContact CG2-CG 4.36Å; T527-F552 WeakPolarHBondContact OG1-CD2 3.08Å | ||
| 528 | V | 89 | Confident | 88.3 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | trans | -124.9 | 127.2 | 170.5 | -60.9 | 0 | 0 | 0 | 0 | 108.2 | K533 I534 L537 F733 P738 E739 F748 | V528-K533 HydrophobicContact CB-CB 4.27Å; V528-K533 HydrophobicContact CB-CD 4.38Å; V528-K533 HydrophobicContact CG1-CD 4.42Å; V528-K533 HydrophobicContact CG2-CB 4.13Å; V528-I534 HydrophobicContact CG2-CG1 4.36Å; V528-L537 HydrophobicContact CG2-CD1 3.82Å; V528-F733 HydrophobicContact CB-CE2 4.38Å; V528-F733 HydrophobicContact CB-CZ 4.42Å; V528-F733 HydrophobicContact CG1-CE2 3.92Å; V528-F733 HydrophobicContact CG1-CZ 3.79Å; V528-F733 HydrophobicContact CG2-CE2 3.89Å; V528-F733 HydrophobicContact CG2-CZ 3.79Å; V528-P738 HydrophobicContact CG1-CG 3.98Å; V528-E739 HydrophobicContact CG1-CG 3.92Å; V528-F748 HydrophobicContact CG1-CD2 4.22Å | ||
| 529 | V | 82.6 | Confident | 88.4 | Confident | 41 Ų | 41 | 45.4 Ų | 45.4 | 25% | 0.248 | 21% | 0.209 | C | C | . | . | trans | -103.1 | -7.6 | -177.5 | -65 | 0 | 0 | 0 | 0 | 113.3 | H312 T527 | H312-V529 HydrophobicContact CB-CB 4.41Å; H312-V529 HydrophobicContact CB-CG1 4.3Å; T527-V529 HydrophobicContact CG2-CG1 4.29Å | ||
| 530 | S | 84.2 | Confident | 88.6 | Confident | 44 Ų | 44 | 50.1 Ų | 50.1 | 31% | 0.308 | 23% | 0.231 | S | C | . | . | trans | -71 | 127.3 | -177.6 | 164.7 | 0 | 0 | 0 | 0 | 112.8 | R532 K533 I534 | S530-R532 VanDerWaalsContact C-N 3.28Å; S530-R532 PolarHBondContact O-N 2.89Å; S530-R532 PolarHBondContact OG-N 3.3Å; S530-K533 PolarHBondContact O-N 2.64Å; S530-K533 PolarHBondContact OG-N 2.93Å; S530-I534 WeakPolarHBondContact O-CG1 3.27Å; S530-I534 PolarHBondContact O-N 2.98Å | ||
| 531 | K | 83 | Confident | 88.8 | Confident | 83 Ų | 83 | 59.1 Ų | 59.1 | 36% | 0.361 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -48.6 | -47.7 | 172.6 | -176.9 | -174.5 | 175.9 | -177.8 | 0 | 112.2 | N308 K533 I534 L535 W546 | N308-K531 WeakPolarHBondContact O-CD 3.26Å; N308-K531 WeakPolarHBondContact O-CE 3.1Å; N308-K531 PolarHBondContact O-NZ 3.34Å; K531-K533 VanDerWaalsContact C-N 3.3Å; K531-K533 PolarHBondContact O-N 3.42Å; K531-I534 PolarHBondContact O-N 3.36Å; K531-L535 HydrophobicContact CG-CD1 4.41Å; K531-L535 WeakPolarHBondContact O-CB 3.4Å; K531-L535 WeakPolarHBondContact O-CG 3.5Å; K531-L535 PolarHBondContact O-N 2.9Å; K531-W546 HydrophobicContact CG-CH2 3.73Å; K531-W546 HydrophobicContact CG-CZ3 4.21Å; K531-W546 WeakPolarHBondContact O-CH2 3.19Å |
| 532 | R | 85 | Confident | 89.1 | Confident | 188 Ų | 188 | 57.1 Ų | 57.1 | 71% | 0.709 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.5 | -36.1 | -180 | -173.9 | 179.2 | -179.9 | -169.1 | 0.8 | 112.2 | S530 K536 | S530-R532 VanDerWaalsContact C-N 3.28Å; S530-R532 PolarHBondContact O-N 2.89Å; S530-R532 PolarHBondContact OG-N 3.3Å; R532-K536 WeakPolarHBondContact O-CG 3.27Å; R532-K536 PolarHBondContact O-N 2.82Å |
| 533 | K | 88.6 | Confident | 89.4 | Confident | 50 Ų | 50 | 57.1 Ų | 57.1 | 22% | 0.217 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -77 | -43.7 | -179.6 | -67.8 | -178.9 | 178.1 | 177.7 | 0 | 111.6 | V528 S530 K531 L535 K536 L537 E739 F748 | V528-K533 HydrophobicContact CB-CB 4.27Å; V528-K533 HydrophobicContact CB-CD 4.38Å; V528-K533 HydrophobicContact CG1-CD 4.42Å; V528-K533 HydrophobicContact CG2-CB 4.13Å; S530-K533 PolarHBondContact O-N 2.64Å; S530-K533 PolarHBondContact OG-N 2.93Å; K531-K533 VanDerWaalsContact C-N 3.3Å; K531-K533 PolarHBondContact O-N 3.42Å; K533-L535 VanDerWaalsContact C-N 3.32Å; K533-L535 PolarHBondContact O-N 3.15Å; K533-K536 WeakPolarHBondContact O-CB 3.42Å; K533-K536 PolarHBondContact O-N 2.72Å; K533-L537 PolarHBondContact O-N 3.21Å; K533-L537 VanDerWaalsContact O-N 3.16Å; K533-E739 HydrophobicContact CD-CG 4.29Å; K533-E739 IonicContact NZ-OE1 2.69Å; K533-E739 PolarHBondContact NZ-OE1 3.17Å; K533-E739 IonicContact NZ-OE2 3.76Å; K533-F748 HydrophobicContact CB-CE1 4.38Å; K533-F748 HydrophobicContact CB-CE2 3.99Å; K533-F748 HydrophobicContact CB-CZ 3.76Å; K533-F748 HydrophobicContact CD-CD1 4.45Å; K533-F748 HydrophobicContact CD-CE1 4.26Å; K533-F748 HydrophobicContact CD-CZ 4.44Å; K533-F748 HydrophobicContact CG-CE1 3.95Å; K533-F748 HydrophobicContact CG-CE2 4.42Å; K533-F748 HydrophobicContact CG-CZ 3.84Å |
| 534 | I | 89.7 | Confident | 89.5 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 176.3 | -59.7 | 166.8 | 0 | 0 | 0 | 110.6 | V528 S530 K531 K536 L537 V538 I543 W546 L551 T553 | V528-I534 HydrophobicContact CG2-CG1 4.36Å; S530-I534 WeakPolarHBondContact O-CG1 3.27Å; S530-I534 PolarHBondContact O-N 2.98Å; K531-I534 PolarHBondContact O-N 3.36Å; I534-K536 PolarHBondContact O-N 3.22Å; I534-L537 WeakPolarHBondContact O-CB 3.45Å; I534-L537 PolarHBondContact O-N 2.91Å; I534-L537 VanDerWaalsContact O-N 3.09Å; I534-V538 HydrophobicContact CG2-CG2 4.41Å; I534-V538 WeakPolarHBondContact O-CG2 3.39Å; I534-V538 PolarHBondContact O-N 3.41Å; I534-I543 HydrophobicContact CG2-CD1 3.88Å; I534-W546 HydrophobicContact CB-CE3 3.74Å; I534-W546 HydrophobicContact CB-CH2 4.33Å; I534-W546 HydrophobicContact CB-CZ3 3.43Å; I534-W546 VanDerWaalsContact CB-CZ3 3.43Å; I534-W546 HydrophobicContact CD1-CE3 4.21Å; I534-W546 HydrophobicContact CD1-CZ3 4.17Å; I534-W546 HydrophobicContact CG1-CZ3 4.4Å; I534-W546 HydrophobicContact CG2-CD2 3.98Å; I534-W546 HydrophobicContact CG2-CE3 3.18Å; I534-W546 HydrophobicContact CG2-CH2 4.37Å; I534-W546 HydrophobicContact CG2-CZ3 3.43Å; I534-W546 VanDerWaalsContact CG2-CZ3 3.43Å; I534-L551 HydrophobicContact CD1-CD1 4.47Å; I534-L551 HydrophobicContact CG2-CD1 3.81Å; I534-T553 HydrophobicContact CD1-CG2 4.1Å |
| 535 | L | 88.2 | Confident | 89.5 | Confident | 63 Ų | 63 | 61 Ų | 61 | 33% | 0.33 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -55.3 | -37.6 | 171.6 | -84.7 | 168.6 | 0 | 0 | 0 | 113.3 | K531 K533 K539 W546 | K531-L535 HydrophobicContact CG-CD1 4.41Å; K531-L535 WeakPolarHBondContact O-CB 3.4Å; K531-L535 WeakPolarHBondContact O-CG 3.5Å; K531-L535 PolarHBondContact O-N 2.9Å; K533-L535 VanDerWaalsContact C-N 3.32Å; K533-L535 PolarHBondContact O-N 3.15Å; L535-K539 WeakPolarHBondContact O-CB 3.44Å; L535-K539 VanDerWaalsContact O-CG 3.23Å; L535-K539 WeakPolarHBondContact O-CG 2.81Å; L535-K539 PolarHBondContact O-N 2.87Å; L535-W546 HydrophobicContact CB-CH2 4.4Å; L535-W546 HydrophobicContact CD1-CH2 4.23Å; L535-W546 HydrophobicContact CD1-CZ2 4.42Å; L535-W546 HydrophobicContact CD2-CH2 3.88Å; L535-W546 HydrophobicContact CD2-CZ2 3.37Å; L535-W546 HydrophobicContact CG-CH2 3.46Å; L535-W546 VanDerWaalsContact CG-CH2 3.46Å; L535-W546 HydrophobicContact CG-CZ2 3.55Å |
| 536 | K | 91 | Very high | 89.3 | Confident | 78 Ų | 78 | 62.5 Ų | 62.5 | 34% | 0.339 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.2 | -42.4 | 177.3 | -72.1 | 178 | 173.6 | -169.6 | 0 | 111.2 | R532 K533 I534 V538 K539 Q540 F748 L749 | R532-K536 WeakPolarHBondContact O-CG 3.27Å; R532-K536 PolarHBondContact O-N 2.82Å; K533-K536 WeakPolarHBondContact O-CB 3.42Å; K533-K536 PolarHBondContact O-N 2.72Å; I534-K536 PolarHBondContact O-N 3.22Å; K536-V538 PolarHBondContact O-N 3.44Å; K536-K539 PolarHBondContact O-N 2.83Å; K536-Q540 WeakPolarHBondContact O-CB 3.44Å; K536-Q540 WeakPolarHBondContact O-CG 3.18Å; K536-Q540 PolarHBondContact O-N 3.46Å; K536-F748 HydrophobicContact CB-CZ 4.23Å; K536-F748 HydrophobicContact CD-CE1 4.34Å; K536-F748 HydrophobicContact CD-CZ 4.02Å; K536-L749 HydrophobicContact CB-CD2 4.33Å |
| 537 | L | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 176.3 | -63 | 169.8 | 0 | 0 | 0 | 111.6 | V528 K533 I534 Q540 K541 L542 I543 L732 F733 F748 L749 V752 | V528-L537 HydrophobicContact CG2-CD1 3.82Å; K533-L537 PolarHBondContact O-N 3.21Å; K533-L537 VanDerWaalsContact O-N 3.16Å; I534-L537 WeakPolarHBondContact O-CB 3.45Å; I534-L537 PolarHBondContact O-N 2.91Å; I534-L537 VanDerWaalsContact O-N 3.09Å; L537-Q540 PolarHBondContact O-N 2.97Å; L537-K541 PolarHBondContact O-N 3.25Å; L537-L542 HydrophobicContact CD2-CB 4.46Å; L537-L542 HydrophobicContact CD2-CD1 3.99Å; L537-L542 PolarHBondContact O-N 3.34Å; L537-I543 HydrophobicContact CB-CD1 3.56Å; L537-I543 HydrophobicContact CB-CG1 3.67Å; L537-I543 HydrophobicContact CB-CG2 4.46Å; L537-I543 HydrophobicContact CD1-CD1 4.06Å; L537-I543 HydrophobicContact CG-CD1 4.48Å; L537-L732 HydrophobicContact CD1-CD2 4.21Å; L537-F733 HydrophobicContact CD1-CZ 4.07Å; L537-F733 HydrophobicContact CD2-CZ 4.36Å; L537-F748 HydrophobicContact CD2-CD2 4.48Å; L537-F748 HydrophobicContact CD2-CE2 4.07Å; L537-F748 HydrophobicContact CG-CE2 4.13Å; L537-L749 HydrophobicContact CD2-CD2 3.69Å; L537-L749 HydrophobicContact CG-CD2 4.41Å; L537-V752 HydrophobicContact CD2-CG2 3.81Å |
| 538 | V | 91.1 | Very high | 89.4 | Confident | 41 Ų | 41 | 64.4 Ų | 64.4 | 25% | 0.248 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.8 | -47.4 | 176.7 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | I534 K536 Q540 K541 I543 | I534-V538 HydrophobicContact CG2-CG2 4.41Å; I534-V538 WeakPolarHBondContact O-CG2 3.39Å; I534-V538 PolarHBondContact O-N 3.41Å; K536-V538 PolarHBondContact O-N 3.44Å; V538-Q540 VanDerWaalsContact C-N 3.26Å; V538-Q540 PolarHBondContact O-N 3.03Å; V538-K541 WeakPolarHBondContact O-CA 3.32Å; V538-K541 PolarHBondContact O-N 2.96Å; V538-I543 HydrophobicContact CG2-CD1 3.88Å; V538-I543 HydrophobicContact CG2-CG1 3.76Å |
| 539 | K | 92.6 | Very high | 89.7 | Confident | 165 Ų | 165 | 64.5 Ų | 64.5 | 72% | 0.717 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.1 | -35.5 | 179.2 | -77.4 | 178.5 | -179.4 | -170.5 | 0 | 112.7 | L535 K536 K541 | L535-K539 WeakPolarHBondContact O-CB 3.44Å; L535-K539 VanDerWaalsContact O-CG 3.23Å; L535-K539 WeakPolarHBondContact O-CG 2.81Å; L535-K539 PolarHBondContact O-N 2.87Å; K536-K539 PolarHBondContact O-N 2.83Å; K539-K541 PolarHBondContact O-N 3.1Å |
| 540 | Q | 91.4 | Very high | 90.3 | Very high | 107 Ų | 107 | 63.6 Ų | 63.6 | 50% | 0.5 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 4.3 | 175.8 | -68.1 | -172.9 | -13 | 0 | 0 | 113.5 | K536 L537 V538 L542 | K536-Q540 WeakPolarHBondContact O-CB 3.44Å; K536-Q540 WeakPolarHBondContact O-CG 3.18Å; K536-Q540 PolarHBondContact O-N 3.46Å; L537-Q540 PolarHBondContact O-N 2.97Å; V538-Q540 VanDerWaalsContact C-N 3.26Å; V538-Q540 PolarHBondContact O-N 3.03Å; Q540-L542 HydrophobicContact CB-CD1 4.08Å; Q540-L542 HydrophobicContact CB-CG 4.01Å; Q540-L542 PolarHBondContact O-N 3.33Å |
| 541 | K | 90.6 | Very high | 90.8 | Very high | 190 Ų | 190 | 61.6 Ų | 61.6 | 83% | 0.826 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 24.2 | -178.8 | -55.4 | -178.1 | 178.7 | -179.3 | 0 | 114 | L537 V538 K539 I543 | L537-K541 PolarHBondContact O-N 3.25Å; V538-K541 WeakPolarHBondContact O-CA 3.32Å; V538-K541 PolarHBondContact O-N 2.96Å; K539-K541 PolarHBondContact O-N 3.1Å; K541-I543 VanDerWaalsContact C-N 3.33Å |
| 542 | L | 91 | Very high | 91.4 | Very high | 53 Ų | 53 | 58.3 Ų | 58.3 | 28% | 0.277 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -75.7 | -28.5 | 175.7 | -63.7 | 172.9 | 0 | 0 | 0 | 111.3 | L537 Q540 R550 L749 V752 | L537-L542 HydrophobicContact CD2-CB 4.46Å; L537-L542 HydrophobicContact CD2-CD1 3.99Å; L537-L542 PolarHBondContact O-N 3.34Å; Q540-L542 HydrophobicContact CB-CD1 4.08Å; Q540-L542 HydrophobicContact CB-CG 4.01Å; Q540-L542 PolarHBondContact O-N 3.33Å; L542-R550 PolarHBondContact O-NH1 3.07Å; L542-R550 PolarHBondContact O-NH2 3.19Å; L542-L749 HydrophobicContact CD1-CD2 4.3Å; L542-V752 HydrophobicContact CB-CG1 4.41Å; L542-V752 HydrophobicContact CD1-CB 4.4Å; L542-V752 HydrophobicContact CD1-CG1 4.41Å; L542-V752 HydrophobicContact CD1-CG2 4.08Å; L542-V752 HydrophobicContact CD2-CG1 4.45Å |
| 543 | I | 93.3 | Very high | 91.8 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.036 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -131.9 | 155.2 | 174 | 66.7 | 176.9 | 0 | 0 | 0 | 110.6 | I534 L537 V538 K541 D548 L551 L732 | I534-I543 HydrophobicContact CG2-CD1 3.88Å; L537-I543 HydrophobicContact CB-CD1 3.56Å; L537-I543 HydrophobicContact CB-CG1 3.67Å; L537-I543 HydrophobicContact CB-CG2 4.46Å; L537-I543 HydrophobicContact CD1-CD1 4.06Å; L537-I543 HydrophobicContact CG-CD1 4.48Å; V538-I543 HydrophobicContact CG2-CD1 3.88Å; V538-I543 HydrophobicContact CG2-CG1 3.76Å; K541-I543 VanDerWaalsContact C-N 3.33Å; I543-D548 WeakPolarHBondContact CA-OD2 3.28Å; I543-D548 HydrophobicContact CB-CB 4.18Å; I543-D548 WeakPolarHBondContact CB-OD2 3.4Å; I543-L551 HydrophobicContact CD1-CD1 3.86Å; I543-L551 HydrophobicContact CD1-CD2 4.21Å; I543-L551 HydrophobicContact CD1-CG 4.3Å; I543-L732 HydrophobicContact CG2-CD1 3.97Å; I543-L732 HydrophobicContact CG2-CD2 3.95Å |
| 544 | R | 88.6 | Confident | 92.1 | Very high | 129 Ų | 129 | 47.2 Ų | 47.2 | 49% | 0.487 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -68.7 | -39.6 | -178.1 | -71.8 | -179.4 | 164.4 | -156.7 | 0.2 | 112.5 | D548 R727 D792 | R544-D548 PolarHBondContact N-OD2 2.74Å; R544-R727 VanDerWaalsContact NH1-NH1 3.13Å; R544-D792 IonicContact NH1-OD2 3.57Å; R544-D792 PolarHBondContact NH1-OD2 3.18Å |
| 545 | G | 90.4 | Very high | 92.2 | Very high | 8 Ų | 8 | 49.2 Ų | 49.2 | 8% | 0.082 | 23% | 0.229 | C | C | . | . | trans | 177.6 | -164 | -169.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D548 | G545-D548 VanDerWaalsContact O-CB 3.3Å; G545-D548 WeakPolarHBondContact O-CB 3.38Å; G545-D548 PolarHBondContact O-N 3.18Å | ||
| 546 | W | 88 | Confident | 92.5 | Very high | 40 Ų | 40 | 46.2 Ų | 46.2 | 15% | 0.152 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -22.1 | -176 | -51.7 | 99 | 0 | 0 | 0 | 114.2 | I310 K531 I534 L535 D548 T553 | I310-W546 HydrophobicContact CD1-CB 3.1Å; I310-W546 HydrophobicContact CD1-CD2 3.62Å; I310-W546 HydrophobicContact CD1-CE3 4Å; I310-W546 HydrophobicContact CD1-CG 3.21Å; I310-W546 HydrophobicContact CG1-CB 4.5Å; K531-W546 HydrophobicContact CG-CH2 3.73Å; K531-W546 HydrophobicContact CG-CZ3 4.21Å; K531-W546 WeakPolarHBondContact O-CH2 3.19Å; I534-W546 HydrophobicContact CB-CE3 3.74Å; I534-W546 HydrophobicContact CB-CH2 4.33Å; I534-W546 HydrophobicContact CB-CZ3 3.43Å; I534-W546 VanDerWaalsContact CB-CZ3 3.43Å; I534-W546 HydrophobicContact CD1-CE3 4.21Å; I534-W546 HydrophobicContact CD1-CZ3 4.17Å; I534-W546 HydrophobicContact CG1-CZ3 4.4Å; I534-W546 HydrophobicContact CG2-CD2 3.98Å; I534-W546 HydrophobicContact CG2-CE3 3.18Å; I534-W546 HydrophobicContact CG2-CH2 4.37Å; I534-W546 HydrophobicContact CG2-CZ3 3.43Å; I534-W546 VanDerWaalsContact CG2-CZ3 3.43Å; L535-W546 HydrophobicContact CB-CH2 4.4Å; L535-W546 HydrophobicContact CD1-CH2 4.23Å; L535-W546 HydrophobicContact CD1-CZ2 4.42Å; L535-W546 HydrophobicContact CD2-CH2 3.88Å; L535-W546 HydrophobicContact CD2-CZ2 3.37Å; L535-W546 HydrophobicContact CG-CH2 3.46Å; L535-W546 VanDerWaalsContact CG-CH2 3.46Å; L535-W546 HydrophobicContact CG-CZ2 3.55Å; W546-D548 VanDerWaalsContact C-N 3.31Å; W546-T553 PolarHBondContact O-OG1 3.1Å |
| 547 | D | 92.1 | Very high | 92.8 | Very high | 57 Ų | 57 | 42.5 Ų | 42.5 | 31% | 0.305 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 8.2 | 174 | 64.7 | -32.1 | 0 | 0 | 0 | 111.6 | P549 R559 | D547-P549 VanDerWaalsContact O-CD 3.28Å; D547-P549 WeakPolarHBondContact O-CD 3.26Å; D547-R559 WeakPolarHBondContact O-CD 3.16Å; D547-R559 IonicContact OD2-CZ 3.52Å; D547-R559 IonicContact OD2-NE 3.67Å; D547-R559 IonicContact OD2-NH1 3.65Å; D547-R559 PolarHBondContact OD2-NH1 3.49Å |
| 548 | D | 94.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | trans | -57.1 | 119.1 | 174.1 | -171 | -58.3 | 0 | 0 | 0 | 109.5 | I543 R544 G545 W546 R550 L551 A556 | I543-D548 WeakPolarHBondContact CA-OD2 3.28Å; I543-D548 HydrophobicContact CB-CB 4.18Å; I543-D548 WeakPolarHBondContact CB-OD2 3.4Å; R544-D548 PolarHBondContact N-OD2 2.74Å; G545-D548 VanDerWaalsContact O-CB 3.3Å; G545-D548 WeakPolarHBondContact O-CB 3.38Å; G545-D548 PolarHBondContact O-N 3.18Å; W546-D548 VanDerWaalsContact C-N 3.31Å; D548-R550 PolarHBondContact O-N 3.49Å; D548-R550 WeakPolarHBondContact OD1-CB 3.49Å; D548-R550 IonicContact OD1-CZ 2.67Å; D548-R550 PolarHBondContact OD1-N 3.43Å; D548-R550 VanDerWaalsContact OD1-N 3.14Å; D548-R550 IonicContact OD1-NE 2.67Å; D548-R550 PolarHBondContact OD1-NE 3.4Å; D548-R550 IonicContact OD1-NH2 3.74Å; D548-R550 IonicContact OD2-CZ 3.58Å; D548-R550 IonicContact OD2-NE 2.87Å; D548-R550 IonicContact OD2-NH2 3.67Å; D548-R550 PolarHBondContact OD2-NH2 3.47Å; D548-L551 HydrophobicContact CB-CD1 4.5Å; D548-L551 HydrophobicContact CB-CG 4.49Å; D548-L551 WeakPolarHBondContact O-CB 3.5Å; D548-L551 PolarHBondContact O-N 3.15Å; D548-A556 WeakPolarHBondContact O-CB 3.42Å | ||
| 549 | P | 95.9 | Very high | 93.2 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -13.9 | -173.6 | -34.1 | 42 | 0 | 0 | 0 | 116.1 | D547 L551 R559 R560 Y729 | D547-P549 VanDerWaalsContact O-CD 3.28Å; D547-P549 WeakPolarHBondContact O-CD 3.26Å; P549-L551 VanDerWaalsContact C-N 3.28Å; P549-R559 HydrophobicContact CG-CG 4.26Å; P549-R560 HydrophobicContact CB-CB 3.81Å; P549-R560 HydrophobicContact CB-CG 4.1Å; P549-R560 WeakPolarHBondContact O-CD 3.42Å; P549-Y729 HydrophobicContact CB-CD1 4.14Å; P549-Y729 HydrophobicContact CB-CD2 4.13Å; P549-Y729 HydrophobicContact CB-CE1 3.73Å; P549-Y729 HydrophobicContact CB-CE2 3.77Å; P549-Y729 HydrophobicContact CB-CG 4.31Å; P549-Y729 HydrophobicContact CG-CE1 4.05Å; P549-Y729 HydrophobicContact CG-CE2 4.17Å; P549-Y729 WeakPolarHBondContact CG-OH 3.5Å |
| 550 | R | 95 | Very high | 93.4 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 8% | 0.083 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -12.9 | 174.9 | -62.5 | 172.3 | -71.4 | 173.3 | -1.5 | 113.3 | L542 D548 Y729 L732 S756 | L542-R550 PolarHBondContact O-NH1 3.07Å; L542-R550 PolarHBondContact O-NH2 3.19Å; D548-R550 PolarHBondContact O-N 3.49Å; D548-R550 WeakPolarHBondContact OD1-CB 3.49Å; D548-R550 IonicContact OD1-CZ 2.67Å; D548-R550 PolarHBondContact OD1-N 3.43Å; D548-R550 VanDerWaalsContact OD1-N 3.14Å; D548-R550 IonicContact OD1-NE 2.67Å; D548-R550 PolarHBondContact OD1-NE 3.4Å; D548-R550 IonicContact OD1-NH2 3.74Å; D548-R550 IonicContact OD2-CZ 3.58Å; D548-R550 IonicContact OD2-NE 2.87Å; D548-R550 IonicContact OD2-NH2 3.67Å; D548-R550 PolarHBondContact OD2-NH2 3.47Å; R550-Y729 HydrophobicContact CG-CD1 3.6Å; R550-Y729 HydrophobicContact CG-CE1 4.39Å; R550-Y729 HydrophobicContact CG-CG 4.37Å; R550-L732 HydrophobicContact CB-CB 4.24Å; R550-S756 WeakPolarHBondContact CD-OG 3.47Å; R550-S756 PolarHBondContact NH1-OG 3.45Å |
| 551 | L | 94.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -88.2 | 161.4 | 176.1 | -62.9 | 179.4 | 0 | 0 | 0 | 112.4 | I534 I543 D548 P549 T553 A556 L732 | I534-L551 HydrophobicContact CD1-CD1 4.47Å; I534-L551 HydrophobicContact CG2-CD1 3.81Å; I543-L551 HydrophobicContact CD1-CD1 3.86Å; I543-L551 HydrophobicContact CD1-CD2 4.21Å; I543-L551 HydrophobicContact CD1-CG 4.3Å; D548-L551 HydrophobicContact CB-CD1 4.5Å; D548-L551 HydrophobicContact CB-CG 4.49Å; D548-L551 WeakPolarHBondContact O-CB 3.5Å; D548-L551 PolarHBondContact O-N 3.15Å; P549-L551 VanDerWaalsContact C-N 3.28Å; L551-T553 HydrophobicContact CB-CG2 4.44Å; L551-T553 HydrophobicContact CD1-CG2 4.42Å; L551-A556 HydrophobicContact CB-CB 3.96Å; L551-A556 WeakPolarHBondContact O-CB 3.41Å; L551-L732 HydrophobicContact CD2-CD2 3.96Å |
| 552 | F | 94.3 | Very high | 93.9 | Very high | 14 Ų | 14 | 24.7 Ų | 24.7 | 6% | 0.061 | 11% | 0.112 | C | C | . | . | trans | -104.4 | 29.8 | 173.3 | -70.4 | -96.6 | 0 | 0 | 0 | 112.3 | I313 I524 T527 L557 P586 L589 | I313-F552 HydrophobicContact CG2-CB 4.16Å; I313-F552 PolarHBondContact N-O 3.46Å; I524-F552 HydrophobicContact CD1-CD1 4Å; I524-F552 HydrophobicContact CD1-CE1 4.45Å; I524-F552 HydrophobicContact CG2-CD1 4.42Å; I524-F552 HydrophobicContact CG2-CE1 4.38Å; T527-F552 HydrophobicContact CG2-CB 4.38Å; T527-F552 HydrophobicContact CG2-CD2 3.92Å; T527-F552 HydrophobicContact CG2-CG 4.36Å; T527-F552 WeakPolarHBondContact OG1-CD2 3.08Å; F552-L557 HydrophobicContact CD1-CD2 4.03Å; F552-L557 HydrophobicContact CE1-CD2 4.42Å; F552-P586 HydrophobicContact CE1-CB 3.75Å; F552-P586 HydrophobicContact CE2-CB 4.31Å; F552-P586 HydrophobicContact CZ-CB 3.36Å; F552-P586 HydrophobicContact CZ-CG 4.26Å; F552-L589 HydrophobicContact CD1-CD2 4.31Å; F552-L589 HydrophobicContact CE1-CD2 4.25Å | ||
| 553 | T | 93.7 | Very high | 94.2 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 3% | 0.025 | 10% | 0.099 | C | C | . | . | B | Isolated β-bridge | trans | -71.8 | 150.3 | 162.8 | 59.5 | 0 | 0 | 0 | 0 | 109.1 | I310 L311 I534 W546 L551 T555 A556 L557 | I310-T553 HydrophobicContact CG2-CG2 4.08Å; L311-T553 CarbonylContact O-C 3.5Å; L311-T553 WeakPolarHBondContact O-CA 3.39Å; I534-T553 HydrophobicContact CD1-CG2 4.1Å; W546-T553 PolarHBondContact O-OG1 3.1Å; L551-T553 HydrophobicContact CB-CG2 4.44Å; L551-T553 HydrophobicContact CD1-CG2 4.42Å; T553-T555 VanDerWaalsContact C-N 3.28Å; T553-T555 PolarHBondContact O-N 3.45Å; T553-A556 PolarHBondContact O-N 3.06Å; T553-A556 WeakPolarHBondContact OG1-CB 3.1Å; T553-A556 PolarHBondContact OG1-N 2.98Å; T553-L557 WeakPolarHBondContact O-CG 3.43Å; T553-L557 PolarHBondContact O-N 2.92Å |
| 554 | L | 94.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.3 | -32.4 | -178 | -69.8 | 171.8 | 0 | 0 | 0 | 112.2 | L311 I313 A316 T356 W359 L360 L557 R558 | L311-L554 HydrophobicContact CB-CD1 3.85Å; L311-L554 HydrophobicContact CB-CG 4.49Å; L311-L554 PolarHBondContact O-N 2.97Å; I313-L554 HydrophobicContact CD1-CD2 4.39Å; A316-L554 HydrophobicContact CB-CD1 4.11Å; A316-L554 HydrophobicContact CB-CD2 3.8Å; T356-L554 HydrophobicContact CG2-CB 3.67Å; T356-L554 HydrophobicContact CG2-CD1 3.37Å; T356-L554 HydrophobicContact CG2-CG 4.11Å; W359-L554 HydrophobicContact CZ3-CB 4.28Å; W359-L554 HydrophobicContact CZ3-CD2 4.1Å; L360-L554 HydrophobicContact CD1-CD1 4.35Å; L554-L557 HydrophobicContact CD2-CD1 4.34Å; L554-L557 PolarHBondContact O-N 3.45Å; L554-R558 WeakPolarHBondContact O-CB 3.25Å; L554-R558 PolarHBondContact O-N 3.41Å |
| 555 | T | 93.1 | Very high | 94.6 | Very high | 47 Ų | 47 | 22.4 Ų | 22.4 | 29% | 0.288 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -65.6 | -41.8 | 171.8 | 51.2 | 0 | 0 | 0 | 0 | 112.2 | I310 T553 R558 R559 | I310-T555 HydrophobicContact CG2-CG2 4.37Å; T553-T555 VanDerWaalsContact C-N 3.28Å; T553-T555 PolarHBondContact O-N 3.45Å; T555-R558 PolarHBondContact O-N 3.4Å; T555-R559 WeakPolarHBondContact O-CB 3.3Å; T555-R559 PolarHBondContact O-N 3.05Å |
| 556 | A | 94.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.5 | -42.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D548 L551 T553 R559 R560 | D548-A556 WeakPolarHBondContact O-CB 3.42Å; L551-A556 HydrophobicContact CB-CB 3.96Å; L551-A556 WeakPolarHBondContact O-CB 3.41Å; T553-A556 PolarHBondContact O-N 3.06Å; T553-A556 WeakPolarHBondContact OG1-CB 3.1Å; T553-A556 PolarHBondContact OG1-N 2.98Å; A556-R559 CarbonylContact O-C 3.52Å; A556-R559 PolarHBondContact O-N 3.33Å; A556-R560 VanDerWaalsContact O-CB 3.29Å; A556-R560 WeakPolarHBondContact O-CB 3.36Å; A556-R560 PolarHBondContact O-N 2.61Å |
| 557 | L | 96 | Very high | 95 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.7 | -42.7 | 177.5 | -67.9 | 178.1 | 0 | 0 | 0 | 111.3 | I313 F552 T553 L554 R560 G561 F562 L589 | I313-L557 HydrophobicContact CB-CD1 4.3Å; I313-L557 HydrophobicContact CD1-CD1 3.91Å; I313-L557 HydrophobicContact CG1-CD1 4.42Å; F552-L557 HydrophobicContact CD1-CD2 4.03Å; F552-L557 HydrophobicContact CE1-CD2 4.42Å; T553-L557 WeakPolarHBondContact O-CG 3.43Å; T553-L557 PolarHBondContact O-N 2.92Å; L554-L557 HydrophobicContact CD2-CD1 4.34Å; L554-L557 PolarHBondContact O-N 3.45Å; L557-R560 PolarHBondContact O-N 3.41Å; L557-G561 PolarHBondContact O-N 2.8Å; L557-F562 HydrophobicContact CB-CB 4.26Å; L557-F562 HydrophobicContact CB-CD1 4.41Å; L557-F562 HydrophobicContact CB-CG 4.28Å; L557-F562 HydrophobicContact CD2-CD1 3.82Å; L557-F562 HydrophobicContact CD2-CD2 4.48Å; L557-F562 HydrophobicContact CD2-CE1 3.76Å; L557-F562 HydrophobicContact CD2-CE2 4.5Å; L557-F562 HydrophobicContact CD2-CG 4.21Å; L557-F562 HydrophobicContact CD2-CZ 4.15Å; L557-F562 WeakPolarHBondContact O-CB 3.32Å; L557-F562 PolarHBondContact O-N 2.72Å; L557-L589 HydrophobicContact CD1-CD2 4.33Å |
| 558 | R | 96.1 | Very high | 95.1 | Very high | 81 Ų | 81 | 18.8 Ų | 18.8 | 31% | 0.306 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 172.1 | -178.5 | 176.9 | 176.9 | 173.9 | 1.1 | 111.4 | W359 L554 T555 R560 G561 Y776 | W359-R558 HydrophobicContact CD2-CB 4.32Å; W359-R558 HydrophobicContact CD2-CG 4.31Å; W359-R558 HydrophobicContact CH2-CB 4.1Å; W359-R558 HydrophobicContact CZ2-CB 3.75Å; W359-R558 HydrophobicContact CZ2-CG 4.15Å; L554-R558 WeakPolarHBondContact O-CB 3.25Å; L554-R558 PolarHBondContact O-N 3.41Å; T555-R558 PolarHBondContact O-N 3.4Å; R558-R560 VanDerWaalsContact C-N 3.33Å; R558-R560 PolarHBondContact O-N 3.49Å; R558-G561 WeakPolarHBondContact O-CA 3.06Å; R558-G561 PolarHBondContact O-N 2.92Å; R558-Y776 HydrophobicContact CG-CD1 4.39Å; R558-Y776 HydrophobicContact CG-CE1 4.09Å |
| 559 | R | 96 | Very high | 94.8 | Very high | 25 Ų | 25 | 19.6 Ų | 19.6 | 9% | 0.094 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65 | -34 | 177.8 | -170.8 | 173.4 | 179.7 | 165.5 | 4.7 | 113.2 | D547 P549 T555 A556 G561 D790 D792 N801 | D547-R559 WeakPolarHBondContact O-CD 3.16Å; D547-R559 IonicContact OD2-CZ 3.52Å; D547-R559 IonicContact OD2-NE 3.67Å; D547-R559 IonicContact OD2-NH1 3.65Å; D547-R559 PolarHBondContact OD2-NH1 3.49Å; P549-R559 HydrophobicContact CG-CG 4.26Å; T555-R559 WeakPolarHBondContact O-CB 3.3Å; T555-R559 PolarHBondContact O-N 3.05Å; A556-R559 CarbonylContact O-C 3.52Å; A556-R559 PolarHBondContact O-N 3.33Å; R559-G561 PolarHBondContact O-N 2.86Å; R559-D790 WeakPolarHBondContact CG-OD2 3.47Å; R559-D790 IonicContact CZ-OD1 3.96Å; R559-D790 IonicContact CZ-OD2 2.73Å; R559-D790 IonicContact NE-OD1 2.8Å; R559-D790 IonicContact NE-OD2 2.71Å; R559-D790 PolarHBondContact NE-OD2 3.04Å; R559-D790 IonicContact NH2-OD1 2.78Å; R559-D790 PolarHBondContact NH2-OD1 2.87Å; R559-D790 IonicContact NH2-OD2 3.95Å; R559-D790 PolarHBondContact NH2-OD2 3.36Å; R559-D792 IonicContact CZ-OD1 3.53Å; R559-D792 IonicContact NH2-OD1 3.7Å; R559-D792 PolarHBondContact NH2-OD1 3.33Å; R559-D792 IonicContact NH2-OD2 2.98Å; R559-D792 PolarHBondContact NH2-OD2 2.87Å; R559-D792 VanDerWaalsContact NH2-OD2 3.08Å; R559-N801 PolarHBondContact O-ND2 3.1Å |
| 560 | R | 96.5 | Very high | 94.6 | Very high | 19 Ų | 19 | 19.4 Ų | 19.4 | 7% | 0.072 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.7 | -19.3 | 172.2 | -170.9 | 158.6 | 165.6 | -165.3 | -7.2 | 112.5 | P549 A556 L557 R558 F562 E590 T803 | P549-R560 HydrophobicContact CB-CB 3.81Å; P549-R560 HydrophobicContact CB-CG 4.1Å; P549-R560 WeakPolarHBondContact O-CD 3.42Å; A556-R560 VanDerWaalsContact O-CB 3.29Å; A556-R560 WeakPolarHBondContact O-CB 3.36Å; A556-R560 PolarHBondContact O-N 2.61Å; L557-R560 PolarHBondContact O-N 3.41Å; R558-R560 VanDerWaalsContact C-N 3.33Å; R558-R560 PolarHBondContact O-N 3.49Å; R560-F562 HydrophobicContact CB-CD2 4.1Å; R560-F562 HydrophobicContact CB-CE2 4.3Å; R560-F562 HydrophobicContact CG-CD2 3.99Å; R560-F562 HydrophobicContact CG-CE2 3.75Å; R560-E590 IonicContact CZ-OE1 2.93Å; R560-E590 IonicContact NH2-OE1 2.96Å; R560-E590 PolarHBondContact NH2-OE1 3.29Å; R560-T803 PolarHBondContact NE-O 2.93Å; R560-T803 PolarHBondContact NH2-O 2.96Å; R560-T803 VanDerWaalsContact NH2-O 3.11Å; R560-T803 VanDerWaalsContact O-CA 3.28Å; R560-T803 WeakPolarHBondContact O-CA 3.46Å; R560-T803 WeakPolarHBondContact O-CB 3.32Å; R560-T803 PolarHBondContact O-OG1 2.94Å |
| 561 | G | 97 | Very high | 94.2 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97 | 21.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L557 R558 R559 P563 Q778 S788 T803 | L557-G561 PolarHBondContact O-N 2.8Å; R558-G561 WeakPolarHBondContact O-CA 3.06Å; R558-G561 PolarHBondContact O-N 2.92Å; R559-G561 PolarHBondContact O-N 2.86Å; G561-P563 WeakPolarHBondContact O-CD 3.1Å; G561-Q778 PolarHBondContact O-NE2 3.25Å; G561-S788 VanDerWaalsContact CA-CB 3.42Å; G561-T803 VanDerWaalsContact C-CG2 3.5Å; G561-T803 VanDerWaalsContact O-CG2 3.29Å; G561-T803 WeakPolarHBondContact O-CG2 3.49Å |
| 562 | F | 97.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.009 | 9% | 0.091 | C | C | . | . | trans | -69.4 | 126.9 | 176.5 | -79.1 | -141.5 | 0 | 0 | 0 | 108.2 | W359 L557 R560 L589 E590 V593 T803 V804 | W359-F562 WeakPolarHBondContact CZ2-O 3.24Å; L557-F562 HydrophobicContact CB-CB 4.26Å; L557-F562 HydrophobicContact CB-CD1 4.41Å; L557-F562 HydrophobicContact CB-CG 4.28Å; L557-F562 HydrophobicContact CD2-CD1 3.82Å; L557-F562 HydrophobicContact CD2-CD2 4.48Å; L557-F562 HydrophobicContact CD2-CE1 3.76Å; L557-F562 HydrophobicContact CD2-CE2 4.5Å; L557-F562 HydrophobicContact CD2-CG 4.21Å; L557-F562 HydrophobicContact CD2-CZ 4.15Å; L557-F562 WeakPolarHBondContact O-CB 3.32Å; L557-F562 PolarHBondContact O-N 2.72Å; R560-F562 HydrophobicContact CB-CD2 4.1Å; R560-F562 HydrophobicContact CB-CE2 4.3Å; R560-F562 HydrophobicContact CG-CD2 3.99Å; R560-F562 HydrophobicContact CG-CE2 3.75Å; F562-L589 HydrophobicContact CD1-CD2 4.04Å; F562-L589 HydrophobicContact CD1-CG 4.16Å; F562-L589 HydrophobicContact CE1-CD2 3.63Å; F562-L589 HydrophobicContact CE1-CG 3.73Å; F562-E590 HydrophobicContact CZ-CG 4.21Å; F562-V593 HydrophobicContact CB-CG2 4.36Å; F562-V593 HydrophobicContact CD1-CG2 3.42Å; F562-V593 VanDerWaalsContact CD1-CG2 3.42Å; F562-V593 HydrophobicContact CD2-CG2 4.4Å; F562-V593 HydrophobicContact CE1-CG2 3.66Å; F562-V593 HydrophobicContact CG-CG2 3.83Å; F562-V593 HydrophobicContact CZ-CG2 4.22Å; F562-T803 HydrophobicContact CD2-CG2 3.59Å; F562-T803 HydrophobicContact CE2-CG2 3.84Å; F562-V804 HydrophobicContact CE2-CG1 4.21Å; F562-V804 HydrophobicContact CZ-CG1 4.23Å | ||
| 563 | P | 96.2 | Very high | 92.9 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.013 | 11% | 0.108 | C | C | . | . | trans | -71.3 | 139.9 | 174.8 | 26.4 | -29.1 | 0 | 0 | 0 | 110.1 | G561 E565 A566 V567 V596 L597 | G561-P563 WeakPolarHBondContact O-CD 3.1Å; P563-E565 WeakPolarHBondContact CB-OE2 3.11Å; P563-E565 PolarHBondContact O-N 3.22Å; P563-A566 HydrophobicContact CG-CB 3.76Å; P563-A566 WeakPolarHBondContact O-CB 3.37Å; P563-A566 PolarHBondContact O-N 3.43Å; P563-A566 VanDerWaalsContact O-N 3.07Å; P563-V567 PolarHBondContact O-N 3.32Å; P563-V596 HydrophobicContact CB-CG1 3.98Å; P563-V596 HydrophobicContact CG-CB 4Å; P563-V596 HydrophobicContact CG-CG1 3.66Å; P563-L597 HydrophobicContact CG-CD2 3.91Å; P563-L597 HydrophobicContact CG-CG 4.11Å | ||
| 564 | P | 95.9 | Very high | 91.6 | Very high | 25 Ų | 25 | 24.4 Ų | 24.4 | 16% | 0.162 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.5 | -30.9 | -179.6 | 24.8 | -33.3 | 0 | 0 | 0 | 112.4 | W359 L360 A566 V567 N568 | W359-P564 HydrophobicContact CD2-CB 4.37Å; W359-P564 HydrophobicContact CZ2-CB 4.35Å; W359-P564 WeakPolarHBondContact O-CB 3.29Å; W359-P564 WeakPolarHBondContact O-CG 3.29Å; L360-P564 HydrophobicContact CD2-CB 4.43Å; P564-A566 VanDerWaalsContact C-N 3.29Å; P564-A566 PolarHBondContact O-N 3.3Å; P564-V567 PolarHBondContact O-N 3.09Å; P564-N568 PolarHBondContact O-N 3.07Å |
| 565 | E | 94.1 | Very high | 90.2 | Very high | 114 Ų | 114 | 24.7 Ų | 24.7 | 53% | 0.533 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -60.4 | -38.3 | 175.6 | -59.2 | 81.3 | 180 | 0 | 0 | 111.8 | P563 S569 V596 | P563-E565 WeakPolarHBondContact CB-OE2 3.11Å; P563-E565 PolarHBondContact O-N 3.22Å; E565-S569 WeakPolarHBondContact O-CB 3.5Å; E565-S569 PolarHBondContact O-N 3.24Å; E565-V596 HydrophobicContact CB-CG1 4.4Å; E565-V596 HydrophobicContact CB-CG2 4.42Å |
| 566 | A | 93.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -69 | -40.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P563 P564 S569 F570 H592 V593 V596 | P563-A566 HydrophobicContact CG-CB 3.76Å; P563-A566 WeakPolarHBondContact O-CB 3.37Å; P563-A566 PolarHBondContact O-N 3.43Å; P563-A566 VanDerWaalsContact O-N 3.07Å; P564-A566 VanDerWaalsContact C-N 3.29Å; P564-A566 PolarHBondContact O-N 3.3Å; A566-S569 PolarHBondContact O-N 3.1Å; A566-F570 WeakPolarHBondContact O-CB 3.14Å; A566-F570 PolarHBondContact O-N 3.36Å; A566-H592 HydrophobicContact CB-CB 4.29Å; A566-V593 HydrophobicContact CB-CB 4.3Å; A566-V593 HydrophobicContact CB-CG2 3.77Å; A566-V596 HydrophobicContact CB-CB 4.33Å; A566-V596 HydrophobicContact CB-CG2 3.92Å |
| 567 | V | 93.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.3 | -46 | 177 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | I313 A316 W359 L360 P563 P564 F570 V571 | I313-V567 HydrophobicContact CD1-CG1 3.82Å; A316-V567 HydrophobicContact CB-CG1 3.79Å; W359-V567 HydrophobicContact CH2-CG2 4.21Å; L360-V567 HydrophobicContact CD2-CB 4.13Å; L360-V567 HydrophobicContact CD2-CG1 3.9Å; P563-V567 PolarHBondContact O-N 3.32Å; P564-V567 PolarHBondContact O-N 3.09Å; V567-F570 PolarHBondContact O-N 2.84Å; V567-V571 WeakPolarHBondContact O-CG2 3.31Å; V567-V571 PolarHBondContact O-N 2.67Å; V567-V571 VanDerWaalsContact O-N 3.1Å |
| 568 | N | 93.2 | Very high | 87.3 | Confident | 28 Ų | 28 | 28 Ų | 28 | 15% | 0.15 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.1 | -44.7 | 177.8 | -68.2 | -12.9 | 0 | 0 | 0 | 111.8 | N320 L360 P564 F570 V571 A572 | N320-N568 PolarHBondContact ND2-OD1 3.43Å; N320-N568 VanDerWaalsContact OD1-CG 3.3Å; N320-N568 PolarHBondContact OD1-OD1 2.72Å; N320-N568 VanDerWaalsContact OD1-OD1 3.07Å; L360-N568 PolarHBondContact O-ND2 2.93Å; P564-N568 PolarHBondContact O-N 3.07Å; N568-F570 VanDerWaalsContact C-N 3.33Å; N568-F570 PolarHBondContact O-N 3.18Å; N568-V571 PolarHBondContact O-N 3.01Å; N568-A572 WeakPolarHBondContact O-CB 3.49Å; N568-A572 PolarHBondContact O-N 3.23Å |
| 569 | S | 89.8 | Confident | 86.6 | Confident | 20 Ų | 20 | 27.5 Ų | 27.5 | 14% | 0.14 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.3 | -40 | 178.6 | -168.7 | 0 | 0 | 0 | 0 | 111.9 | E565 A566 A572 K573 | E565-S569 WeakPolarHBondContact O-CB 3.5Å; E565-S569 PolarHBondContact O-N 3.24Å; A566-S569 PolarHBondContact O-N 3.1Å; S569-A572 PolarHBondContact O-N 2.75Å; S569-K573 WeakPolarHBondContact O-CB 3.49Å; S569-K573 WeakPolarHBondContact O-CG 3.17Å; S569-K573 PolarHBondContact O-N 3.23Å |
| 570 | F | 90.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.7 | -48.3 | 174.9 | 167.7 | -110.1 | 0 | 0 | 0 | 112.3 | I313 L522 A566 V567 N568 A572 V574 I584 M588 L589 H592 | I313-F570 HydrophobicContact CG1-CE1 4.36Å; L522-F570 HydrophobicContact CD2-CE1 4.29Å; A566-F570 WeakPolarHBondContact O-CB 3.14Å; A566-F570 PolarHBondContact O-N 3.36Å; V567-F570 PolarHBondContact O-N 2.84Å; N568-F570 VanDerWaalsContact C-N 3.33Å; N568-F570 PolarHBondContact O-N 3.18Å; F570-A572 VanDerWaalsContact C-N 3.3Å; F570-A572 PolarHBondContact O-N 2.97Å; F570-V574 HydrophobicContact CD2-CB 4.18Å; F570-V574 HydrophobicContact CD2-CG2 3.76Å; F570-V574 HydrophobicContact CE2-CB 4.41Å; F570-V574 HydrophobicContact CE2-CG1 4.45Å; F570-V574 HydrophobicContact CE2-CG2 4.19Å; F570-V574 WeakPolarHBondContact O-CB 3.38Å; F570-V574 PolarHBondContact O-N 3.38Å; F570-I584 HydrophobicContact CE1-CD1 3.81Å; F570-I584 HydrophobicContact CE2-CD1 3.63Å; F570-I584 HydrophobicContact CZ-CD1 3.01Å; F570-I584 HydrophobicContact CZ-CG1 4.35Å; F570-M588 HydrophobicContact CE2-CB 4.29Å; F570-M588 HydrophobicContact CE2-CG 4.15Å; F570-M588 HydrophobicContact CE2-SD 4.48Å; F570-L589 HydrophobicContact CB-CD1 3.79Å; F570-L589 HydrophobicContact CD1-CD1 3.6Å; F570-L589 HydrophobicContact CD2-CB 4.19Å; F570-L589 HydrophobicContact CD2-CD1 4.16Å; F570-L589 HydrophobicContact CE1-CB 4.15Å; F570-L589 HydrophobicContact CE1-CD1 3.93Å; F570-L589 HydrophobicContact CE1-CG 4.41Å; F570-L589 HydrophobicContact CE2-CB 3.78Å; F570-L589 HydrophobicContact CE2-CD1 4.45Å; F570-L589 HydrophobicContact CG-CB 4.46Å; F570-L589 HydrophobicContact CG-CD1 3.62Å; F570-L589 HydrophobicContact CZ-CB 3.63Å; F570-L589 HydrophobicContact CZ-CD1 4.23Å; F570-L589 HydrophobicContact CZ-CG 4.37Å; F570-H592 HydrophobicContact CB-CB 4.26Å; F570-H592 AromaticContact CD2-CD2 3.64Å |
| 571 | V | 87.6 | Confident | 85 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -59.8 | -43.9 | 175.9 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | K317 N320 V567 N568 M575 G576 | K317-V571 HydrophobicContact CB-CG1 4.17Å; K317-V571 HydrophobicContact CB-CG2 4.37Å; K317-V571 HydrophobicContact CG-CG1 4.05Å; N320-V571 HydrophobicContact CB-CB 4.42Å; N320-V571 HydrophobicContact CB-CG1 3.82Å; V567-V571 WeakPolarHBondContact O-CG2 3.31Å; V567-V571 PolarHBondContact O-N 2.67Å; V567-V571 VanDerWaalsContact O-N 3.1Å; N568-V571 PolarHBondContact O-N 3.01Å; V571-M575 PolarHBondContact O-N 3.41Å; V571-G576 PolarHBondContact O-N 3.28Å |
| 572 | A | 83.7 | Confident | 84.1 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 2% | 0.017 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -67.4 | -44.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I256 N568 S569 F570 | I256-A572 HydrophobicContact CB-CB 4.23Å; I256-A572 HydrophobicContact CD1-CB 4.34Å; N568-A572 WeakPolarHBondContact O-CB 3.49Å; N568-A572 PolarHBondContact O-N 3.23Å; S569-A572 PolarHBondContact O-N 2.75Å; F570-A572 VanDerWaalsContact C-N 3.3Å; F570-A572 PolarHBondContact O-N 2.97Å |
| 573 | K | 77.2 | Confident | 83.5 | Confident | 99 Ų | 99 | 37.1 Ų | 37.1 | 43% | 0.43 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -84.3 | -44.2 | -173 | -72.7 | 176.5 | 173.8 | 177.8 | 0 | 113.5 | A253 S569 | A253-K573 VanDerWaalsContact O-CG 3.26Å; A253-K573 WeakPolarHBondContact O-CG 3.45Å; S569-K573 WeakPolarHBondContact O-CB 3.49Å; S569-K573 WeakPolarHBondContact O-CG 3.17Å; S569-K573 PolarHBondContact O-N 3.23Å |
| 574 | V | 67.4 | Low | 83.1 | Confident | 43 Ų | 43 | 37.6 Ų | 37.6 | 26% | 0.261 | 21% | 0.213 | S | C | . | . | I | π-helix | trans | -86.7 | -44.8 | -171.2 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | F570 I584 M588 H592 | F570-V574 HydrophobicContact CD2-CB 4.18Å; F570-V574 HydrophobicContact CD2-CG2 3.76Å; F570-V574 HydrophobicContact CE2-CB 4.41Å; F570-V574 HydrophobicContact CE2-CG1 4.45Å; F570-V574 HydrophobicContact CE2-CG2 4.19Å; F570-V574 WeakPolarHBondContact O-CB 3.38Å; F570-V574 PolarHBondContact O-N 3.38Å; V574-I584 HydrophobicContact CG1-CG2 4.42Å; V574-M588 HydrophobicContact CB-SD 4.06Å; V574-M588 HydrophobicContact CG1-SD 3.25Å; V574-M588 WeakPolarHBondContact CG1-SD 3.16Å; V574-M588 HydrophobicContact CG2-CG 4Å; V574-M588 HydrophobicContact CG2-SD 3.6Å; V574-M588 VanDerWaalsContact CG2-SD 3.6Å; V574-H592 WeakPolarHBondContact CG2-NE2 3.16Å |
| 575 | M | 65 | Low | 82.9 | Confident | 7 Ų | 7 | 38.3 Ų | 38.3 | 3% | 0.034 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -94.3 | -32.7 | -167.6 | -66.2 | -62.2 | -66.3 | 0 | 0 | 113.1 | K317 L522 V571 T578 V582 I584 | K317-M575 HydrophobicContact CD-CB 4.18Å; K317-M575 HydrophobicContact CD-CE 4.33Å; L522-M575 HydrophobicContact CB-CE 3.91Å; L522-M575 HydrophobicContact CD1-CE 3.73Å; L522-M575 HydrophobicContact CD1-CG 3.97Å; L522-M575 HydrophobicContact CD1-SD 3.67Å; L522-M575 HydrophobicContact CG-CE 4.41Å; V571-M575 PolarHBondContact O-N 3.41Å; M575-T578 WeakPolarHBondContact O-CG2 3.48Å; M575-V582 HydrophobicContact CE-CB 4.46Å; M575-I584 HydrophobicContact SD-CD1 4.35Å; M575-I584 HydrophobicContact SD-CG2 4.23Å |
| 576 | G | 70 | Confident | 82.8 | Confident | 17 Ų | 17 | 33.1 Ų | 33.1 | 18% | 0.175 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | -158.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | V571 | V571-G576 PolarHBondContact O-N 3.28Š|
| 577 | L | 73.1 | Confident | 82.6 | Confident | 36 Ų | 36 | 34.3 Ų | 34.3 | 19% | 0.188 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 21.4 | 174.5 | -71.8 | 167.4 | 0 | 0 | 0 | 113.1 | M260 A264 F266 I321 | M260-L577 HydrophobicContact CE-CD2 3.88Å; M260-L577 HydrophobicContact CE-CG 4.47Å; M260-L577 HydrophobicContact SD-CD1 3.91Å; M260-L577 HydrophobicContact SD-CD2 4.05Å; M260-L577 HydrophobicContact SD-CG 4.34Å; A264-L577 HydrophobicContact CB-CD1 3.48Å; A264-L577 VanDerWaalsContact CB-CD1 3.48Å; F266-L577 HydrophobicContact CZ-CD1 4.43Å; F266-L577 HydrophobicContact CZ-CD2 4.19Å; I321-L577 HydrophobicContact CD1-CD2 4.29Å; I321-L577 HydrophobicContact CG1-CD2 4.33Å; I321-L577 HydrophobicContact CG2-CD2 4.37Å |
| 578 | T | 80.1 | Confident | 82.5 | Confident | 63 Ų | 63 | 37.7 Ų | 37.7 | 39% | 0.387 | 22% | 0.215 | S | C | . | . | trans | -65.1 | 146 | 178.9 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | G520 M575 A580 | G520-T578 PolarHBondContact N-O 3.06Å; M575-T578 WeakPolarHBondContact O-CG2 3.48Å; T578-A580 VanDerWaalsContact C-N 3.31Å; T578-A580 HydrophobicContact CG2-CB 4.22Å; T578-A580 WeakPolarHBondContact OG1-CB 3.24Å; T578-A580 PolarHBondContact OG1-N 3.07Å | ||
| 579 | T | 81.5 | Confident | 82.5 | Confident | 71 Ų | 71 | 36.3 Ų | 36.3 | 44% | 0.436 | 21% | 0.208 | S | C | . | . | trans | -86.1 | -2.7 | 169.5 | 60.6 | 0 | 0 | 0 | 0 | 112.5 | K493 E518 | K493-T579 WeakPolarHBondContact CD-O 3.37Å; E518-T579 WeakPolarHBondContact O-CG2 2.98Å | ||
| 580 | A | 79.6 | Confident | 82.7 | Confident | 41 Ų | 41 | 36.9 Ų | 36.9 | 34% | 0.339 | 21% | 0.209 | S | C | . | . | trans | -66.6 | 134.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | G520 T578 V582 | G520-A580 WeakPolarHBondContact CA-O 3.4Å; T578-A580 VanDerWaalsContact C-N 3.31Å; T578-A580 HydrophobicContact CG2-CB 4.22Å; T578-A580 WeakPolarHBondContact OG1-CB 3.24Å; T578-A580 PolarHBondContact OG1-N 3.07Å; A580-V582 HydrophobicContact CB-CG2 4.14Å | ||
| 581 | Q | 78.4 | Confident | 82.8 | Confident | 94 Ų | 94 | 38.5 Ų | 38.5 | 44% | 0.439 | 22% | 0.222 | S | C | . | . | trans | -79.5 | 116.6 | 169.7 | -72.2 | -88 | -25.9 | 0 | 0 | 107.5 | E494 | E494-Q581 PolarHBondContact OE1-NE2 3.38Š| ||
| 582 | V | 77.2 | Confident | 83 | Confident | 37 Ų | 37 | 39.5 Ų | 39.5 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 133.3 | -177.7 | -171 | 0 | 0 | 0 | 0 | 109.1 | N523 M575 A580 I584 | N523-V582 PolarHBondContact N-O 2.79Å; M575-V582 HydrophobicContact CE-CB 4.46Å; A580-V582 HydrophobicContact CB-CG2 4.14Å; V582-I584 HydrophobicContact CG1-CG2 3.78Å |
| 583 | T | 86 | Confident | 83.6 | Confident | 79 Ų | 79 | 39.4 Ų | 39.4 | 49% | 0.485 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 123.9 | 166.2 | -57.2 | 0 | 0 | 0 | 0 | 108 | N523 | N523-T583 HydrophobicContact CB-CG2 4.46Å; N523-T583 WeakPolarHBondContact O-CA 3.04Å |
| 584 | I | 88.3 | Confident | 84.5 | Confident | 12 Ų | 12 | 36 Ų | 36 | 6% | 0.062 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 151.4 | -175.4 | 55.2 | 171.5 | 0 | 0 | 0 | 111.5 | L522 N523 I524 S525 F570 V574 M575 V582 | L522-I584 HydrophobicContact CD1-CD1 3.38Å; L522-I584 HydrophobicContact CD1-CG1 3.91Å; N523-I584 VanDerWaalsContact O-CG1 3.32Å; N523-I584 WeakPolarHBondContact O-CG1 3.31Å; N523-I584 PolarHBondContact O-N 3.23Å; I524-I584 WeakPolarHBondContact CA-O 2.92Å; I524-I584 HydrophobicContact CD1-CD1 4.48Å; I524-I584 HydrophobicContact CG1-CD1 4.33Å; I524-I584 HydrophobicContact CG1-CG1 4.02Å; S525-I584 PolarHBondContact N-O 3.04Å; S525-I584 PolarHBondContact OG-O 2.86Å; F570-I584 HydrophobicContact CE1-CD1 3.81Å; F570-I584 HydrophobicContact CE2-CD1 3.63Å; F570-I584 HydrophobicContact CZ-CD1 3.01Å; F570-I584 HydrophobicContact CZ-CG1 4.35Å; V574-I584 HydrophobicContact CG1-CG2 4.42Å; M575-I584 HydrophobicContact SD-CD1 4.35Å; M575-I584 HydrophobicContact SD-CG2 4.23Å; V582-I584 HydrophobicContact CG1-CG2 3.78Å |
| 585 | D | 90.9 | Very high | 85.7 | Confident | 39 Ų | 39 | 38.6 Ų | 38.6 | 21% | 0.209 | 22% | 0.223 | C | C | . | . | trans | -75.2 | 135.4 | 173.9 | -162 | -65.7 | 0 | 0 | 0 | 110.2 | Y526 T587 M588 R731 | Y526-D585 WeakPolarHBondContact CE2-OD2 3.25Å; D585-T587 PolarHBondContact O-N 2.87Å; D585-T587 VanDerWaalsContact O-N 3.14Å; D585-T587 VanDerWaalsContact OD1-CG2 3.29Å; D585-T587 WeakPolarHBondContact OD1-CG2 3.24Å; D585-T587 PolarHBondContact OD1-N 2.96Å; D585-T587 PolarHBondContact OD1-OG1 3.33Å; D585-T587 VanDerWaalsContact OD1-OG1 3.11Å; D585-M588 WeakPolarHBondContact O-CB 3.45Å; D585-M588 PolarHBondContact O-N 3.34Å; D585-M588 VanDerWaalsContact O-N 3.14Å; D585-R731 IonicContact OD1-NH2 3.15Å; D585-R731 IonicContact OD2-NH2 3.03Å | ||
| 586 | P | 91.3 | Very high | 87.1 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 4% | 0.039 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.9 | -24.4 | 175.6 | 22.4 | -34.7 | 0 | 0 | 0 | 114.5 | I524 S525 Y526 F552 M588 L589 E590 | I524-P586 HydrophobicContact CG2-CB 4Å; I524-P586 HydrophobicContact CG2-CG 4.35Å; S525-P586 WeakPolarHBondContact OG-CD 3.3Å; Y526-P586 HydrophobicContact CD2-CG 4.03Å; F552-P586 HydrophobicContact CE1-CB 3.75Å; F552-P586 HydrophobicContact CE2-CB 4.31Å; F552-P586 HydrophobicContact CZ-CB 3.36Å; F552-P586 HydrophobicContact CZ-CG 4.26Å; P586-M588 PolarHBondContact O-N 3.47Å; P586-L589 PolarHBondContact O-N 3.43Å; P586-L589 VanDerWaalsContact O-N 3.11Å; P586-E590 WeakPolarHBondContact O-CG 3.45Å; P586-E590 PolarHBondContact O-N 3.24Å |
| 587 | T | 90.9 | Very high | 88.3 | Confident | 25 Ų | 25 | 38.8 Ų | 38.8 | 15% | 0.153 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.1 | -27.1 | 177.6 | 59.9 | 0 | 0 | 0 | 0 | 113 | D585 E590 A591 E808 | D585-T587 PolarHBondContact O-N 2.87Å; D585-T587 VanDerWaalsContact O-N 3.14Å; D585-T587 VanDerWaalsContact OD1-CG2 3.29Å; D585-T587 WeakPolarHBondContact OD1-CG2 3.24Å; D585-T587 PolarHBondContact OD1-N 2.96Å; D585-T587 PolarHBondContact OD1-OG1 3.33Å; D585-T587 VanDerWaalsContact OD1-OG1 3.11Å; T587-E590 PolarHBondContact O-N 3.22Å; T587-A591 PolarHBondContact O-N 3.4Å; T587-E808 WeakPolarHBondContact CB-OE1 3.37Å; T587-E808 HydrophobicContact CG2-CG 4.28Å; T587-E808 WeakPolarHBondContact CG2-OE1 3.39Å; T587-E808 PolarHBondContact OG1-OE1 2.99Å |
| 588 | M | 90.9 | Very high | 89.2 | Confident | 70 Ų | 70 | 40 Ų | 40 | 35% | 0.345 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.5 | -44 | 175.9 | -168.8 | 179.8 | -74.2 | 0 | 0 | 111.5 | F570 V574 D585 P586 E590 A591 H592 | F570-M588 HydrophobicContact CE2-CB 4.29Å; F570-M588 HydrophobicContact CE2-CG 4.15Å; F570-M588 HydrophobicContact CE2-SD 4.48Å; V574-M588 HydrophobicContact CB-SD 4.06Å; V574-M588 HydrophobicContact CG1-SD 3.25Å; V574-M588 WeakPolarHBondContact CG1-SD 3.16Å; V574-M588 HydrophobicContact CG2-CG 4Å; V574-M588 HydrophobicContact CG2-SD 3.6Å; V574-M588 VanDerWaalsContact CG2-SD 3.6Å; D585-M588 WeakPolarHBondContact O-CB 3.45Å; D585-M588 PolarHBondContact O-N 3.34Å; D585-M588 VanDerWaalsContact O-N 3.14Å; P586-M588 PolarHBondContact O-N 3.47Å; M588-E590 VanDerWaalsContact C-N 3.31Å; M588-E590 PolarHBondContact O-N 3.31Å; M588-A591 WeakPolarHBondContact O-CB 3.46Å; M588-A591 PolarHBondContact O-N 3.03Å; M588-H592 PolarHBondContact O-CD2 3.22Å; M588-H592 VanDerWaalsContact O-CD2 3.31Å; M588-H592 PolarHBondContact O-N 3.27Å |
| 589 | L | 92.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62 | -43.7 | 172.7 | 176.2 | 59.8 | 0 | 0 | 0 | 110.5 | I313 F552 L557 F562 F570 P586 A591 H592 V593 | I313-L589 HydrophobicContact CD1-CD2 4.22Å; I313-L589 HydrophobicContact CG1-CD2 4.4Å; F552-L589 HydrophobicContact CD1-CD2 4.31Å; F552-L589 HydrophobicContact CE1-CD2 4.25Å; L557-L589 HydrophobicContact CD1-CD2 4.33Å; F562-L589 HydrophobicContact CD1-CD2 4.04Å; F562-L589 HydrophobicContact CD1-CG 4.16Å; F562-L589 HydrophobicContact CE1-CD2 3.63Å; F562-L589 HydrophobicContact CE1-CG 3.73Å; F570-L589 HydrophobicContact CB-CD1 3.79Å; F570-L589 HydrophobicContact CD1-CD1 3.6Å; F570-L589 HydrophobicContact CD2-CB 4.19Å; F570-L589 HydrophobicContact CD2-CD1 4.16Å; F570-L589 HydrophobicContact CE1-CB 4.15Å; F570-L589 HydrophobicContact CE1-CD1 3.93Å; F570-L589 HydrophobicContact CE1-CG 4.41Å; F570-L589 HydrophobicContact CE2-CB 3.78Å; F570-L589 HydrophobicContact CE2-CD1 4.45Å; F570-L589 HydrophobicContact CG-CB 4.46Å; F570-L589 HydrophobicContact CG-CD1 3.62Å; F570-L589 HydrophobicContact CZ-CB 3.63Å; F570-L589 HydrophobicContact CZ-CD1 4.23Å; F570-L589 HydrophobicContact CZ-CG 4.37Å; P586-L589 PolarHBondContact O-N 3.43Å; P586-L589 VanDerWaalsContact O-N 3.11Å; L589-A591 PolarHBondContact O-N 3.26Å; L589-H592 PolarHBondContact O-N 3Å; L589-V593 WeakPolarHBondContact O-CG2 3.36Å; L589-V593 PolarHBondContact O-N 3.27Å; L589-V593 VanDerWaalsContact O-N 3.12Å |
| 590 | E | 94 | Very high | 90.3 | Very high | 32 Ų | 32 | 40.7 Ų | 40.7 | 15% | 0.15 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.5 | -27.2 | 177.5 | -65.4 | -174.4 | 169.2 | 0 | 0 | 112.9 | R560 F562 P586 T587 M588 V593 R594 V804 | R560-E590 IonicContact CZ-OE1 2.93Å; R560-E590 IonicContact NH2-OE1 2.96Å; R560-E590 PolarHBondContact NH2-OE1 3.29Å; F562-E590 HydrophobicContact CZ-CG 4.21Å; P586-E590 WeakPolarHBondContact O-CG 3.45Å; P586-E590 PolarHBondContact O-N 3.24Å; T587-E590 PolarHBondContact O-N 3.22Å; M588-E590 VanDerWaalsContact C-N 3.31Å; M588-E590 PolarHBondContact O-N 3.31Å; E590-V593 PolarHBondContact O-N 2.89Å; E590-R594 VanDerWaalsContact O-CG 3.32Å; E590-R594 WeakPolarHBondContact O-CG 3.5Å; E590-R594 PolarHBondContact O-N 3.43Å; E590-R594 IonicContact OE2-NH2 2.73Å; E590-R594 PolarHBondContact OE2-NH2 3.44Å; E590-R594 VanDerWaalsContact OE2-NH2 3.13Å; E590-V804 HydrophobicContact CB-CG1 3.72Å; E590-V804 HydrophobicContact CG-CG1 3.65Å |
| 591 | A | 93.2 | Very high | 91 | Very high | 34 Ų | 34 | 38.8 Ų | 38.8 | 28% | 0.281 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.5 | -47.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T587 M588 L589 V593 R594 D595 | T587-A591 PolarHBondContact O-N 3.4Å; M588-A591 WeakPolarHBondContact O-CB 3.46Å; M588-A591 PolarHBondContact O-N 3.03Å; L589-A591 PolarHBondContact O-N 3.26Å; A591-V593 PolarHBondContact O-N 3.28Å; A591-R594 PolarHBondContact O-N 2.91Å; A591-R594 VanDerWaalsContact O-N 3.13Å; A591-D595 PolarHBondContact O-N 2.73Å |
| 592 | H | 93 | Very high | 91.8 | Very high | 22 Ų | 22 | 35.5 Ų | 35.5 | 10% | 0.102 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.4 | -36.5 | 173.9 | -71.8 | -83.8 | 0 | 0 | 0 | 112.3 | A566 F570 V574 M588 L589 D595 V596 | A566-H592 HydrophobicContact CB-CB 4.29Å; F570-H592 HydrophobicContact CB-CB 4.26Å; F570-H592 AromaticContact CD2-CD2 3.64Å; V574-H592 WeakPolarHBondContact CG2-NE2 3.16Å; M588-H592 PolarHBondContact O-CD2 3.22Å; M588-H592 VanDerWaalsContact O-CD2 3.31Å; M588-H592 PolarHBondContact O-N 3.27Å; L589-H592 PolarHBondContact O-N 3Å; H592-D595 PolarHBondContact O-N 3.33Å; H592-V596 WeakPolarHBondContact O-CG2 3.14Å; H592-V596 PolarHBondContact O-N 3.32Å; H592-V596 VanDerWaalsContact O-N 3.14Å |
| 593 | V | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.9 | -45.4 | 175.3 | 175 | 0 | 0 | 0 | 0 | 111 | F562 A566 L589 E590 A591 D595 V596 L597 T803 V804 | F562-V593 HydrophobicContact CB-CG2 4.36Å; F562-V593 HydrophobicContact CD1-CG2 3.42Å; F562-V593 VanDerWaalsContact CD1-CG2 3.42Å; F562-V593 HydrophobicContact CD2-CG2 4.4Å; F562-V593 HydrophobicContact CE1-CG2 3.66Å; F562-V593 HydrophobicContact CG-CG2 3.83Å; F562-V593 HydrophobicContact CZ-CG2 4.22Å; A566-V593 HydrophobicContact CB-CB 4.3Å; A566-V593 HydrophobicContact CB-CG2 3.77Å; L589-V593 WeakPolarHBondContact O-CG2 3.36Å; L589-V593 PolarHBondContact O-N 3.27Å; L589-V593 VanDerWaalsContact O-N 3.12Å; E590-V593 PolarHBondContact O-N 2.89Å; A591-V593 PolarHBondContact O-N 3.28Å; V593-D595 VanDerWaalsContact C-N 3.34Å; V593-D595 PolarHBondContact O-N 3.33Å; V593-V596 PolarHBondContact O-N 3.14Å; V593-L597 HydrophobicContact CG1-CD1 3.53Å; V593-L597 HydrophobicContact CG1-CG 4.14Å; V593-L597 WeakPolarHBondContact O-CB 3.35Å; V593-L597 VanDerWaalsContact O-CG 3.27Å; V593-L597 WeakPolarHBondContact O-CG 3.23Å; V593-L597 PolarHBondContact O-N 2.96Å; V593-T803 HydrophobicContact CG1-CG2 3.81Å; V593-V804 HydrophobicContact CB-CG1 4.3Å; V593-V804 HydrophobicContact CB-CG2 4.5Å; V593-V804 HydrophobicContact CG1-CG1 3.99Å; V593-V804 HydrophobicContact CG1-CG2 3.84Å |
| 594 | R | 95.2 | Very high | 93 | Very high | 27 Ų | 27 | 31.8 Ų | 31.8 | 10% | 0.102 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 175.9 | -70.4 | 175.3 | -139 | 107.5 | 3.9 | 111.5 | E590 A591 V596 L597 N598 Y786 V804 S805 | E590-R594 VanDerWaalsContact O-CG 3.32Å; E590-R594 WeakPolarHBondContact O-CG 3.5Å; E590-R594 PolarHBondContact O-N 3.43Å; E590-R594 IonicContact OE2-NH2 2.73Å; E590-R594 PolarHBondContact OE2-NH2 3.44Å; E590-R594 VanDerWaalsContact OE2-NH2 3.13Å; A591-R594 PolarHBondContact O-N 2.91Å; A591-R594 VanDerWaalsContact O-N 3.13Å; R594-V596 VanDerWaalsContact C-N 3.34Å; R594-V596 PolarHBondContact O-N 2.95Å; R594-L597 PolarHBondContact O-N 3.01Å; R594-N598 WeakPolarHBondContact O-CB 3.43Å; R594-N598 PolarHBondContact O-N 3.25Å; R594-Y786 HydrophobicContact CB-CE2 4.49Å; R594-Y786 HydrophobicContact CG-CE2 4.28Å; R594-V804 HydrophobicContact CG-CB 4.3Å; R594-V804 HydrophobicContact CG-CG2 3.59Å; R594-S805 VanDerWaalsContact CD-O 3.32Å; R594-S805 WeakPolarHBondContact CD-O 3.33Å; R594-S805 PolarHBondContact NE-O 3.02Å |
| 595 | D | 93 | Very high | 93.4 | Very high | 99 Ų | 99 | 31.2 Ų | 31.2 | 53% | 0.529 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.2 | -44.1 | -179.9 | -69.4 | -16.6 | 0 | 0 | 0 | 111.9 | A591 H592 V593 | A591-D595 PolarHBondContact O-N 2.73Å; H592-D595 PolarHBondContact O-N 3.33Å; V593-D595 VanDerWaalsContact C-N 3.34Å; V593-D595 PolarHBondContact O-N 3.33Å |
| 596 | V | 94 | Very high | 93.7 | Very high | 27 Ų | 27 | 29.3 Ų | 29.3 | 16% | 0.164 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.5 | -52.6 | 177.1 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | P563 E565 A566 H592 V593 R594 N598 L599 T600 | P563-V596 HydrophobicContact CB-CG1 3.98Å; P563-V596 HydrophobicContact CG-CB 4Å; P563-V596 HydrophobicContact CG-CG1 3.66Å; E565-V596 HydrophobicContact CB-CG1 4.4Å; E565-V596 HydrophobicContact CB-CG2 4.42Å; A566-V596 HydrophobicContact CB-CB 4.33Å; A566-V596 HydrophobicContact CB-CG2 3.92Å; H592-V596 WeakPolarHBondContact O-CG2 3.14Å; H592-V596 PolarHBondContact O-N 3.32Å; H592-V596 VanDerWaalsContact O-N 3.14Å; V593-V596 PolarHBondContact O-N 3.14Å; R594-V596 VanDerWaalsContact C-N 3.34Å; R594-V596 PolarHBondContact O-N 2.95Å; V596-N598 VanDerWaalsContact C-N 3.28Å; V596-N598 PolarHBondContact O-N 3.4Å; V596-L599 PolarHBondContact O-N 3.27Å; V596-T600 HydrophobicContact CG1-CG2 4.26Å; V596-T600 PolarHBondContact O-N 3.27Å; V596-T600 PolarHBondContact O-OG1 3.5Å; V596-T600 VanDerWaalsContact O-OG1 3.13Å |
| 597 | L | 95.5 | Very high | 94 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.6 | -27.6 | -175.3 | -64.4 | 178.8 | 0 | 0 | 0 | 113 | P563 V593 R594 L599 T600 A601 Q778 Y786 T803 | P563-L597 HydrophobicContact CG-CD2 3.91Å; P563-L597 HydrophobicContact CG-CG 4.11Å; V593-L597 HydrophobicContact CG1-CD1 3.53Å; V593-L597 HydrophobicContact CG1-CG 4.14Å; V593-L597 WeakPolarHBondContact O-CB 3.35Å; V593-L597 VanDerWaalsContact O-CG 3.27Å; V593-L597 WeakPolarHBondContact O-CG 3.23Å; V593-L597 PolarHBondContact O-N 2.96Å; R594-L597 PolarHBondContact O-N 3.01Å; L597-L599 PolarHBondContact O-N 2.89Å; L597-T600 PolarHBondContact O-N 3.29Å; L597-A601 HydrophobicContact CB-CB 4.2Å; L597-A601 HydrophobicContact CD2-CB 4.39Å; L597-A601 WeakPolarHBondContact O-CB 3.4Å; L597-A601 PolarHBondContact O-N 2.96Å; L597-Q778 HydrophobicContact CD2-CB 4.04Å; L597-Q778 HydrophobicContact CD2-CG 4.17Å; L597-Q778 VanDerWaalsContact CD2-OE1 3.31Å; L597-Y786 VanDerWaalsContact C-CE1 3.49Å; L597-Y786 HydrophobicContact CB-CD1 3.44Å; L597-Y786 VanDerWaalsContact CB-CD1 3.44Å; L597-Y786 HydrophobicContact CB-CD2 4.43Å; L597-Y786 HydrophobicContact CB-CE1 3.69Å; L597-Y786 HydrophobicContact CB-CG 3.84Å; L597-Y786 HydrophobicContact CD1-CD1 4.23Å; L597-Y786 HydrophobicContact CD1-CG 3.9Å; L597-Y786 HydrophobicContact CG-CD1 4.44Å; L597-Y786 WeakPolarHBondContact O-CE1 3.43Å; L597-T803 HydrophobicContact CD1-CG2 3.93Å |
| 598 | N | 92.6 | Very high | 94.3 | Very high | 61 Ų | 61 | 28.6 Ų | 28.6 | 33% | 0.326 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.5 | -19.7 | 171.3 | -174.5 | 60.5 | 0 | 0 | 0 | 112.6 | R594 V596 Q633 Y786 | R594-N598 WeakPolarHBondContact O-CB 3.43Å; R594-N598 PolarHBondContact O-N 3.25Å; V596-N598 VanDerWaalsContact C-N 3.28Å; V596-N598 PolarHBondContact O-N 3.4Å; N598-Q633 PolarHBondContact O-NE2 2.75Å; N598-Y786 WeakPolarHBondContact CA-OH 3.26Å; N598-Y786 WeakPolarHBondContact CB-OH 3.4Å; N598-Y786 PolarHBondContact OD1-OH 3.2Å |
| 599 | L | 91.2 | Very high | 94.5 | Very high | 82 Ų | 82 | 29.7 Ų | 29.7 | 43% | 0.429 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -102.7 | -27.2 | 176.8 | -61.4 | 177.2 | 0 | 0 | 0 | 112.7 | V596 L597 R634 | V596-L599 PolarHBondContact O-N 3.27Å; L597-L599 PolarHBondContact O-N 2.89Å; L599-R634 PolarHBondContact O-NE 3.23Å; L599-R634 PolarHBondContact O-NH2 2.86Å |
| 600 | T | 92.6 | Very high | 94.7 | Very high | 66 Ų | 66 | 32 Ų | 32 | 41% | 0.405 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -110.8 | -22.2 | -169.7 | 61.4 | 0 | 0 | 0 | 0 | 115.1 | V596 L597 P602 F631 | V596-T600 HydrophobicContact CG1-CG2 4.26Å; V596-T600 PolarHBondContact O-N 3.27Å; V596-T600 PolarHBondContact O-OG1 3.5Å; V596-T600 VanDerWaalsContact O-OG1 3.13Å; L597-T600 PolarHBondContact O-N 3.29Å; T600-P602 WeakPolarHBondContact O-CD 3.36Å; T600-F631 WeakPolarHBondContact O-CE1 3.39Å |
| 601 | A | 94.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -89.4 | 116.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L597 Q780 Y786 | L597-A601 HydrophobicContact CB-CB 4.2Å; L597-A601 HydrophobicContact CD2-CB 4.39Å; L597-A601 WeakPolarHBondContact O-CB 3.4Å; L597-A601 PolarHBondContact O-N 2.96Å; A601-Q780 HydrophobicContact CB-CB 4.31Å; A601-Y786 HydrophobicContact CB-CD1 3.92Å; A601-Y786 HydrophobicContact CB-CE1 4.26Å |
| 602 | P | 94.7 | Very high | 95 | Very high | 26 Ų | 26 | 32.6 Ų | 32.6 | 17% | 0.169 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 142.4 | 176.3 | 25 | -33.3 | 0 | 0 | 0 | 111.2 | T600 N630 F631 Q778 F779 Q780 | T600-P602 WeakPolarHBondContact O-CD 3.36Å; P602-N630 WeakPolarHBondContact CA-O 3.35Å; P602-N630 HydrophobicContact CB-CB 3.9Å; P602-F631 HydrophobicContact CB-CE1 4.32Å; P602-F631 HydrophobicContact CB-CZ 4.09Å; P602-Q778 WeakPolarHBondContact CD-O 3.41Å; P602-F779 HydrophobicContact CG-CD1 3.79Å; P602-F779 HydrophobicContact CG-CE1 4.02Å; P602-Q780 PolarHBondContact O-N 2.71Å |
| 603 | R | 94 | Very high | 95.2 | Very high | 35 Ų | 35 | 31.5 Ų | 31.5 | 13% | 0.132 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 131.2 | 179.3 | -69.5 | -172.4 | -173.1 | 171.3 | 5.8 | 111.5 | N630 H641 Q780 E782 | R603-N630 PolarHBondContact N-O 3.01Å; R603-H641 PolarHBondContact O-CE1 2.94Å; R603-Q780 CarbonylContact C-O 3.58Å; R603-Q780 VanDerWaalsContact CA-O 3.28Å; R603-Q780 WeakPolarHBondContact CA-O 3.38Å; R603-Q780 HydrophobicContact CG-CB 3.99Å; R603-Q780 HydrophobicContact CG-CG 4.15Å; R603-Q780 VanDerWaalsContact CG-OE1 3.28Å; R603-E782 WeakPolarHBondContact CD-OE2 3.42Å |
| 604 | H | 95.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 158.4 | 176.8 | -80.8 | -92.1 | 0 | 0 | 0 | 111.9 | H641 D766 S768 L769 F779 Q780 E782 | H604-H641 AromaticContact CE1-CD2 3.69Å; H604-H641 AromaticContact CE1-CE1 3.83Å; H604-H641 AromaticContact CE1-CG 3.93Å; H604-H641 AromaticContact CE1-ND1 4Å; H604-H641 AromaticContact CE1-NE2 3.65Å; H604-H641 AromaticContact ND1-CD2 3.87Å; H604-H641 AromaticContact ND1-CE1 3.92Å; H604-H641 AromaticContact ND1-NE2 3.49Å; H604-H641 PolarHBondContact ND1-NE2 3.3Å; H604-D766 WeakPolarHBondContact CB-OD2 3.41Å; H604-D766 IonicContact CG-OD2 2.69Å; H604-D766 IonicContact ND1-OD1 3.83Å; H604-D766 IonicContact ND1-OD2 3.95Å; H604-D766 PolarHBondContact ND1-OD2 3.37Å; H604-S768 PolarHBondContact CE1-OG 2.82Å; H604-S768 PolarHBondContact ND1-OG 2.81Å; H604-L769 HydrophobicContact CB-CD1 3.88Å; H604-L769 HydrophobicContact CB-CD2 4.07Å; H604-L769 HydrophobicContact CB-CG 4.06Å; H604-F779 AromaticContact CD2-CD1 3.48Å; H604-F779 VanDerWaalsContact CD2-CD1 3.48Å; H604-F779 WeakPolarHBondContact CD2-CD1 3.42Å; H604-F779 AromaticContact NE2-CD1 3.87Å; H604-F779 AromaticContact NE2-CE1 3.94Å; H604-Q780 PolarHBondContact N-O 3.02Å; H604-E782 WeakPolarHBondContact O-CB 3.48Å; H604-E782 PolarHBondContact O-N 3.47Å |
| 605 | M | 95.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -91.4 | 110.1 | -178.2 | -68.3 | -58.8 | -177.7 | 0 | 0 | 109.7 | V628 K676 Y677 H716 W717 V718 D766 E782 | M605-V628 HydrophobicContact CE-CG1 4.35Å; M605-V628 HydrophobicContact CE-CG2 4.24Å; M605-K676 HydrophobicContact CE-CB 4.19Å; M605-Y677 HydrophobicContact CE-CD2 3.26Å; M605-Y677 HydrophobicContact CE-CE2 3.46Å; M605-Y677 VanDerWaalsContact CE-CE2 3.46Å; M605-H716 HydrophobicContact SD-CB 3.69Å; M605-W717 WeakPolarHBondContact CB-O 3.33Å; M605-V718 HydrophobicContact CB-CG2 4.04Å; M605-V718 VanDerWaalsContact O-CG2 3.24Å; M605-V718 WeakPolarHBondContact O-CG2 3.31Å; M605-D766 HydrophobicContact CB-CB 4.21Å; M605-D766 PolarHBondContact N-OD2 3.35Å; M605-D766 PolarHBondContact O-N 2.98Å; M605-E782 HydrophobicContact CE-CG 4.49Å; M605-E782 HydrophobicContact SD-CB 4.04Å; M605-E782 HydrophobicContact SD-CG 4.14Å | ||
| 606 | V | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 133.3 | -179.8 | -177 | 0 | 0 | 0 | 0 | 109.8 | L608 H716 V763 F764 I765 L769 F781 | V606-L608 HydrophobicContact CG1-CD2 4.25Å; V606-H716 PolarHBondContact O-CD2 2.76Å; V606-H716 PolarHBondContact O-NE2 2.89Å; V606-V763 HydrophobicContact CG1-CG1 3.46Å; V606-V763 VanDerWaalsContact CG1-CG1 3.46Å; V606-F764 CarbonylContact C-O 3.6Å; V606-F764 WeakPolarHBondContact CA-O 3.29Å; V606-I765 HydrophobicContact CB-CG2 4.32Å; V606-I765 HydrophobicContact CG1-CG2 3.69Å; V606-I765 HydrophobicContact CG2-CB 4.33Å; V606-I765 HydrophobicContact CG2-CG2 3.8Å; V606-L769 HydrophobicContact CG2-CD1 3.73Å; V606-F781 HydrophobicContact CB-CB 4.14Å; V606-F781 HydrophobicContact CB-CD1 4.12Å; V606-F781 HydrophobicContact CB-CD2 3.71Å; V606-F781 HydrophobicContact CB-CE1 4.47Å; V606-F781 HydrophobicContact CB-CE2 4.1Å; V606-F781 HydrophobicContact CB-CG 3.73Å; V606-F781 HydrophobicContact CB-CZ 4.46Å; V606-F781 HydrophobicContact CG1-CD2 3.65Å; V606-F781 HydrophobicContact CG1-CE2 3.7Å; V606-F781 HydrophobicContact CG1-CG 4.21Å; V606-F781 HydrophobicContact CG1-CZ 4.27Å; V606-F781 HydrophobicContact CG2-CB 4.42Å; V606-F781 HydrophobicContact CG2-CD1 3.54Å; V606-F781 HydrophobicContact CG2-CD2 3.97Å; V606-F781 HydrophobicContact CG2-CE1 3.66Å; V606-F781 HydrophobicContact CG2-CE2 4.08Å; V606-F781 HydrophobicContact CG2-CG 3.71Å; V606-F781 HydrophobicContact CG2-CZ 3.92Å |
| 607 | V | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 110.8 | 178.3 | 175.5 | 0 | 0 | 0 | 0 | 109 | P610 Y650 I651 E652 V718 V763 F764 | V607-P610 VanDerWaalsContact CG1-CA 3.49Å; V607-P610 HydrophobicContact CG1-CB 3.94Å; V607-Y650 WeakPolarHBondContact CG2-O 3.4Å; V607-I651 VanDerWaalsContact CG1-C 3.42Å; V607-I651 VanDerWaalsContact CG1-O 3.28Å; V607-I651 WeakPolarHBondContact CG1-O 2.98Å; V607-E652 WeakPolarHBondContact CA-OE1 3.34Å; V607-E652 HydrophobicContact CG1-CG 4.38Å; V607-V718 HydrophobicContact CB-CG2 4.42Å; V607-V718 HydrophobicContact CG2-CB 4.28Å; V607-V718 HydrophobicContact CG2-CG2 3.78Å; V607-V763 WeakPolarHBondContact O-CG1 3.23Å; V607-F764 HydrophobicContact CB-CB 4.41Å; V607-F764 PolarHBondContact N-O 3.43Å; V607-F764 PolarHBondContact O-N 3.49Å |
| 608 | L | 96.9 | Very high | 92.5 | Very high | 15 Ų | 15 | 40.5 Ų | 40.5 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -71.5 | -42.6 | -177.2 | -61.5 | -169.5 | 0 | 0 | 0 | 112.6 | V606 E652 V726 L728 L760 V763 F781 V784 | V606-L608 HydrophobicContact CG1-CD2 4.25Å; L608-E652 PolarHBondContact N-OE1 2.87Å; L608-E652 PolarHBondContact N-OE2 2.78Å; L608-V726 HydrophobicContact CD2-CB 4.19Å; L608-V726 HydrophobicContact CD2-CG1 3.99Å; L608-V726 HydrophobicContact CD2-CG2 3.96Å; L608-L728 HydrophobicContact CD1-CD1 4.38Å; L608-L728 HydrophobicContact CD1-CD2 4.24Å; L608-L760 HydrophobicContact CB-CD1 4.04Å; L608-L760 HydrophobicContact CD1-CD1 4.44Å; L608-V763 HydrophobicContact CD2-CG1 3.77Å; L608-V763 HydrophobicContact CD2-CG2 4.03Å; L608-F781 HydrophobicContact CD2-CD2 4.39Å; L608-V784 HydrophobicContact CD1-CG1 3.62Å; L608-V784 HydrophobicContact CG-CG1 4.2Å |
| 609 | R | 96.1 | Very high | 91.4 | Very high | 93 Ų | 93 | 42.5 Ų | 42.5 | 35% | 0.351 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -123.4 | 85.6 | 179.8 | -63.3 | -170.7 | -175.9 | 101.3 | 2.2 | 109.3 | L611 E652 A653 D654 E758 | R609-L611 PolarHBondContact O-N 2.95Å; R609-E652 PolarHBondContact N-OE2 3.03Å; R609-A653 HydrophobicContact CB-CB 4.31Å; R609-A653 WeakPolarHBondContact O-CB 3.39Å; R609-A653 PolarHBondContact O-N 2.89Å; R609-D654 IonicContact NH1-OD2 3.87Å; R609-E758 IonicContact CZ-OE1 2.75Å; R609-E758 VanDerWaalsContact NH2-CD 3.31Å; R609-E758 IonicContact NH2-OE1 3.56Å; R609-E758 PolarHBondContact NH2-OE1 3.21Å; R609-E758 IonicContact NH2-OE2 3.62Å; R609-E758 PolarHBondContact NH2-OE2 3.48Å; R609-E758 VanDerWaalsContact NH2-OE2 3.15Å |
| 610 | P | 96.7 | Very high | 90.6 | Very high | 48 Ų | 48 | 40 Ų | 40 | 31% | 0.312 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 131.2 | -168.2 | 26.7 | -34.7 | 0 | 0 | 0 | 113.8 | V607 Y650 F764 | V607-P610 VanDerWaalsContact CG1-CA 3.49Å; V607-P610 HydrophobicContact CG1-CB 3.94Å; P610-Y650 HydrophobicContact CB-CD1 4.08Å; P610-Y650 HydrophobicContact CB-CG 4.39Å; P610-F764 HydrophobicContact CB-CD2 3.35Å; P610-F764 HydrophobicContact CB-CE2 3.56Å; P610-F764 HydrophobicContact CB-CG 4.03Å; P610-F764 HydrophobicContact CB-CZ 4.38Å; P610-F764 HydrophobicContact CG-CD1 4.37Å; P610-F764 HydrophobicContact CG-CD2 3.74Å; P610-F764 HydrophobicContact CG-CE1 4.35Å; P610-F764 HydrophobicContact CG-CE2 3.74Å; P610-F764 HydrophobicContact CG-CG 4.07Å; P610-F764 HydrophobicContact CG-CZ 4.06Å |
| 611 | L | 96.4 | Very high | 90.1 | Very high | 10 Ų | 10 | 44.4 Ų | 44.4 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.2 | 166.2 | 175.9 | 61.2 | 0 | 0 | 0 | 108.9 | R609 Y650 I651 A653 F656 V695 L698 | R609-L611 PolarHBondContact O-N 2.95Å; L611-Y650 WeakPolarHBondContact O-CA 3.45Å; L611-I651 HydrophobicContact CB-CG1 4.22Å; L611-I651 PolarHBondContact N-O 3.15Å; L611-I651 PolarHBondContact O-N 3.02Å; L611-A653 HydrophobicContact CB-CB 4.28Å; L611-F656 HydrophobicContact CD2-CB 3.79Å; L611-F656 HydrophobicContact CD2-CD1 4.24Å; L611-F656 HydrophobicContact CD2-CG 4.26Å; L611-V695 HydrophobicContact CD1-CG1 4.27Å; L611-V695 WeakPolarHBondContact CD1-O 3.22Å; L611-L698 HydrophobicContact CD2-CD1 3.77Å; L611-L698 HydrophobicContact CD2-CG 4.05Å; L611-L698 HydrophobicContact CG-CD1 4.47Å; L611-L698 HydrophobicContact CG-CG 4.41Å |
| 612 | K | 97.8 | Very high | 89.5 | Confident | 69 Ų | 69 | 46.7 Ų | 46.7 | 30% | 0.3 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 135.8 | -178.3 | -170.3 | -173.1 | 177.9 | -153.1 | 0 | 110.5 | V648 Y650 E697 L698 | K612-V648 HydrophobicContact CD-CG1 4.43Å; K612-V648 HydrophobicContact CG-CG1 4.05Å; K612-Y650 HydrophobicContact CB-CD1 4.06Å; K612-Y650 HydrophobicContact CB-CE1 3.75Å; K612-Y650 HydrophobicContact CG-CD1 4.42Å; K612-Y650 HydrophobicContact CG-CE1 3.84Å; K612-E697 HydrophobicContact CB-CB 4.43Å; K612-E697 HydrophobicContact CD-CB 4.48Å; K612-E697 HydrophobicContact CD-CG 4.16Å; K612-E697 VanDerWaalsContact CE-OE1 3.28Å; K612-E697 WeakPolarHBondContact CE-OE1 3.41Å; K612-E697 HydrophobicContact CG-CG 4.39Å; K612-E697 IonicContact NZ-OE1 3.41Å; K612-E697 PolarHBondContact NZ-OE1 2.76Å; K612-E697 CarbonylContact O-C 3.6Å; K612-E697 WeakPolarHBondContact O-CA 3.37Å; K612-L698 PolarHBondContact O-N 3.37Å |
| 613 | V | 97.1 | Very high | 89 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 124 | 174.5 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | I649 I651 L682 L698 V700 | V613-I649 HydrophobicContact CB-CD1 4.49Å; V613-I649 HydrophobicContact CB-CG1 3.79Å; V613-I649 HydrophobicContact CG1-CG1 4.3Å; V613-I649 PolarHBondContact N-O 2.57Å; V613-I649 PolarHBondContact O-N 3.28Å; V613-I651 HydrophobicContact CG2-CD1 3.79Å; V613-I651 HydrophobicContact CG2-CG1 3.74Å; V613-I651 HydrophobicContact CG2-CG2 4.15Å; V613-L682 HydrophobicContact CG1-CD1 4.39Å; V613-L698 CarbonylContact C-O 3.5Å; V613-L698 WeakPolarHBondContact CA-O 3.38Å; V613-L698 HydrophobicContact CG1-CB 4.4Å; V613-L698 HydrophobicContact CG2-CB 4.22Å; V613-L698 HydrophobicContact CG2-CD1 4.24Å; V613-V700 HydrophobicContact CG1-CB 4.33Å; V613-V700 HydrophobicContact CG1-CG1 3.79Å; V613-V700 HydrophobicContact CG1-CG2 3.51Å |
| 614 | T | 96.1 | Very high | 88.8 | Confident | 30 Ų | 30 | 52.1 Ų | 52.1 | 18% | 0.184 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 115.4 | 177.2 | -63.5 | 0 | 0 | 0 | 0 | 108.5 | E697 L698 V700 | T614-E697 PolarHBondContact OG1-OE1 2.98Å; T614-L698 PolarHBondContact N-O 3.3Å; T614-V700 PolarHBondContact O-N 2.83Å |
| 615 | L | 92.5 | Very high | 88.6 | Confident | 9 Ų | 9 | 54.7 Ų | 54.7 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 126.3 | 178.6 | -59.6 | 99.6 | 0 | 0 | 0 | 109.8 | S647 I649 L680 L682 V700 A702 | L615-S647 WeakPolarHBondContact CD1-O 3.34Å; L615-S647 PolarHBondContact N-O 2.95Å; L615-I649 HydrophobicContact CD1-CB 4.45Å; L615-I649 HydrophobicContact CD1-CD1 4.05Å; L615-I649 HydrophobicContact CD1-CG1 3.93Å; L615-I649 HydrophobicContact CD1-CG2 3.87Å; L615-L680 HydrophobicContact CD2-CD1 4.48Å; L615-L682 HydrophobicContact CD2-CD2 3.56Å; L615-L682 HydrophobicContact CG-CD2 4.38Å; L615-V700 HydrophobicContact CG-CG2 4.12Å; L615-A702 HydrophobicContact CB-CB 4.43Å; L615-A702 HydrophobicContact CD2-CB 3.74Å |
| 616 | T | 88.6 | Confident | 88.4 | Confident | 53 Ų | 53 | 55.1 Ų | 55.1 | 33% | 0.325 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 122.4 | 168 | 57.4 | 0 | 0 | 0 | 0 | 107.8 | M685 V699 V700 A702 | T616-M685 PolarHBondContact OG1-SD 2.74Å; T616-V699 HydrophobicContact CG2-CG1 3.62Å; T616-V700 PolarHBondContact N-O 3.24Å; T616-V700 PolarHBondContact OG1-O 3.06Å; T616-A702 PolarHBondContact O-N 3.44Å |
| 617 | C | 72.3 | Confident | 88.2 | Confident | 47 Ų | 47 | 61 Ų | 61 | 32% | 0.318 | 33% | 0.33 | S | S | . | . | trans | -119.7 | 114.1 | -177 | -71.3 | 0 | 0 | 0 | 0 | 109 | I622 | C617-I622 HydrophobicContact CB-CD1 4.31Å; C617-I622 HydrophobicContact CB-CG1 4.45Å; C617-I622 VanDerWaalsContact SG-CD1 3.5Å; C617-I622 VanDerWaalsContact SG-CG1 3.51Å | ||
| 618 | E | 66.3 | Low | 88 | Confident | 203 Ų | 203 | 61 Ų | 61 | 95% | 0.949 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -96.5 | -24.9 | 169.3 | -67.6 | -174.1 | 168.5 | 0 | 0 | 111.8 | ||
| 619 | S | 69.1 | Low | 87.8 | Confident | 104 Ų | 104 | 62.1 Ų | 62.1 | 73% | 0.727 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -141.6 | 11.1 | -165.7 | 65.1 | 0 | 0 | 0 | 0 | 116.3 | ||
| 620 | V | 76.1 | Confident | 87.6 | Confident | 29 Ų | 29 | 59 Ų | 59 | 18% | 0.176 | 33% | 0.328 | C | S | . | . | trans | -136.8 | 134.2 | -176 | -172.6 | 0 | 0 | 0 | 0 | 111.6 | I622 L680 K704 | V620-I622 PolarHBondContact O-N 3.2Å; V620-L680 HydrophobicContact CG1-CD2 3.71Å; V620-K704 HydrophobicContact CG1-CB 4.43Å; V620-K704 HydrophobicContact CG2-CB 4.41Å | ||
| 621 | D | 80.7 | Confident | 87.3 | Confident | 158 Ų | 158 | 57.8 Ų | 57.8 | 85% | 0.845 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 116.6 | 171.2 | -70.5 | -37.4 | 0 | 0 | 0 | 110.7 | ||
| 622 | I | 81.8 | Confident | 86.8 | Confident | 50 Ų | 50 | 59.9 Ų | 59.9 | 26% | 0.256 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 125 | 173.9 | -64.4 | 173.8 | 0 | 0 | 0 | 108.5 | C617 V620 F645 | C617-I622 HydrophobicContact CB-CD1 4.31Å; C617-I622 HydrophobicContact CB-CG1 4.45Å; C617-I622 VanDerWaalsContact SG-CD1 3.5Å; C617-I622 VanDerWaalsContact SG-CG1 3.51Å; V620-I622 PolarHBondContact O-N 3.2Å; I622-F645 HydrophobicContact CG2-CD1 3.56Å; I622-F645 HydrophobicContact CG2-CE1 3.74Å |
| 623 | P | 85.2 | Confident | 85.9 | Confident | 41 Ų | 41 | 59.5 Ų | 59.5 | 27% | 0.266 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 146.6 | 175 | 27.2 | -32.7 | 0 | 0 | 0 | 110.9 | S625 V626 F645 V678 | P623-S625 VanDerWaalsContact C-N 3.33Å; P623-V626 HydrophobicContact CG-CG2 4.07Å; P623-F645 HydrophobicContact CG-CD1 3.74Å; P623-F645 HydrophobicContact CG-CE1 4.31Å; P623-F645 HydrophobicContact CG-CG 4.41Å; P623-F645 WeakPolarHBondContact O-CB 3.45Å; P623-F645 WeakPolarHBondContact O-CD1 3.3Å; P623-V678 HydrophobicContact CG-CG1 3.8Å |
| 624 | N | 89 | Confident | 85.1 | Confident | 133 Ų | 133 | 63.7 Ų | 63.7 | 71% | 0.711 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -76.1 | -26.4 | 173.5 | -72.5 | -30.6 | 0 | 0 | 0 | 112.4 | F645 | N624-F645 PolarHBondContact O-N 3.29Š|
| 625 | S | 91.9 | Very high | 84.1 | Confident | 56 Ų | 56 | 69.6 Ų | 69.6 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 154.8 | 179.4 | 59.2 | 0 | 0 | 0 | 0 | 110.3 | P623 V642 V643 | P623-S625 VanDerWaalsContact C-N 3.33Å; S625-V642 VanDerWaalsContact CB-CG1 3.49Å; S625-V643 CarbonylContact C-O 3.53Å; S625-V643 VanDerWaalsContact CA-O 3.23Å; S625-V643 WeakPolarHBondContact CA-O 3.33Å; S625-V643 WeakPolarHBondContact CB-O 3.44Å |
| 626 | V | 92.7 | Very high | 83.3 | Confident | 10 Ų | 10 | 76 Ų | 76 | 6% | 0.061 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 135.6 | -179.5 | 178.2 | 0 | 0 | 0 | 0 | 108.4 | P623 V628 V643 F645 Y677 V678 W717 | P623-V626 HydrophobicContact CG-CG2 4.07Å; V626-V628 HydrophobicContact CG1-CG2 4.39Å; V626-V643 PolarHBondContact N-O 3.48Å; V626-V643 PolarHBondContact O-N 3.25Å; V626-F645 HydrophobicContact CG2-CB 4.13Å; V626-F645 HydrophobicContact CG2-CG 4.34Å; V626-Y677 VanDerWaalsContact CG1-O 3.3Å; V626-Y677 WeakPolarHBondContact CG1-O 3.44Å; V626-V678 HydrophobicContact CG2-CB 4.41Å; V626-V678 HydrophobicContact CG2-CG1 4.05Å; V626-V678 HydrophobicContact CG2-CG2 4.17Å; V626-W717 HydrophobicContact CB-CH2 4.17Å; V626-W717 HydrophobicContact CB-CZ2 4.08Å; V626-W717 HydrophobicContact CG1-CZ2 4.35Å; V626-W717 HydrophobicContact CG2-CH2 4.08Å; V626-W717 HydrophobicContact CG2-CZ2 3.96Å |
| 627 | E | 92.4 | Very high | 82.6 | Confident | 122 Ų | 122 | 75.5 Ų | 75.5 | 57% | 0.57 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 124.2 | 173.1 | -171.5 | 173.1 | -168.9 | 0 | 0 | 109.4 | T640 | E627-T640 VanDerWaalsContact CG-CB 3.48Å; E627-T640 HydrophobicContact CG-CG2 3.78Å; E627-T640 VanDerWaalsContact OE1-CB 3.28Å; E627-T640 WeakPolarHBondContact OE1-CB 3.49Å; E627-T640 WeakPolarHBondContact OE1-CG2 3.46Å; E627-T640 PolarHBondContact OE1-OG1 2.73Å |
| 628 | V | 92.5 | Very high | 82.9 | Confident | 1 Ų | 1 | 78.2 Ų | 78.2 | 1% | 0.006 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 122.8 | -176.5 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | M605 V626 N630 T640 H641 V643 Y677 | M605-V628 HydrophobicContact CE-CG1 4.35Å; M605-V628 HydrophobicContact CE-CG2 4.24Å; V626-V628 HydrophobicContact CG1-CG2 4.39Å; V628-N630 PolarHBondContact O-N 3.01Å; V628-T640 CarbonylContact O-C 3.49Å; V628-T640 VanDerWaalsContact O-CA 3.28Å; V628-T640 WeakPolarHBondContact O-CA 3.24Å; V628-H641 VanDerWaalsContact CG1-CE1 3.5Å; V628-H641 WeakPolarHBondContact CG1-CE1 3.42Å; V628-H641 PolarHBondContact N-O 2.71Å; V628-H641 PolarHBondContact O-N 2.9Å; V628-H641 PolarHBondContact O-ND1 2.93Å; V628-V643 HydrophobicContact CB-CG2 4.25Å; V628-V643 HydrophobicContact CG2-CB 4.18Å; V628-V643 HydrophobicContact CG2-CG2 3.69Å; V628-Y677 HydrophobicContact CB-CD2 4.34Å; V628-Y677 HydrophobicContact CG1-CD2 3.78Å; V628-Y677 HydrophobicContact CG1-CE2 3.73Å; V628-Y677 HydrophobicContact CG2-CD2 3.97Å |
| 629 | P | 92.3 | Very high | 84 | Confident | 38 Ų | 38 | 72.7 Ų | 72.7 | 25% | 0.247 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 129.9 | 175.4 | 20.9 | -26.8 | 0 | 0 | 0 | 111.9 | P632 T640 Y677 | P629-P632 HydrophobicContact CB-CG 4.05Å; P629-P632 HydrophobicContact CG-CB 4.36Å; P629-P632 HydrophobicContact CG-CG 3.9Å; P629-T640 HydrophobicContact CB-CG2 4.48Å; P629-Y677 HydrophobicContact CG-CD1 4.22Å; P629-Y677 HydrophobicContact CG-CE1 3.82Å |
| 630 | N | 91.5 | Very high | 85.1 | Confident | 27 Ų | 27 | 70.4 Ų | 70.4 | 14% | 0.144 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -66.7 | -42.9 | 178.3 | -68.5 | -12.4 | 0 | 0 | 0 | 111 | P602 R603 V628 D639 H641 | P602-N630 WeakPolarHBondContact CA-O 3.35Å; P602-N630 HydrophobicContact CB-CB 3.9Å; R603-N630 PolarHBondContact N-O 3.01Å; V628-N630 PolarHBondContact O-N 3.01Å; N630-D639 HydrophobicContact CB-CB 4.36Å; N630-D639 VanDerWaalsContact CB-O 3.32Å; N630-D639 WeakPolarHBondContact CB-O 3.37Å; N630-D639 PolarHBondContact N-O 3.37Å; N630-H641 PolarHBondContact OD1-ND1 3.11Å |
| 631 | F | 91.2 | Very high | 85.9 | Confident | 24 Ų | 24 | 70.1 Ų | 70.1 | 11% | 0.105 | 39% | 0.388 | C | S | . | . | trans | -127.7 | 72.1 | -175.6 | -55.2 | -71.2 | 0 | 0 | 0 | 112.1 | T600 P602 Q633 R634 | T600-F631 WeakPolarHBondContact O-CE1 3.39Å; P602-F631 HydrophobicContact CB-CE1 4.32Å; P602-F631 HydrophobicContact CB-CZ 4.09Å; F631-Q633 PolarHBondContact O-N 2.69Å; F631-R634 HydrophobicContact CB-CB 4.1Å; F631-R634 HydrophobicContact CB-CG 4.21Å; F631-R634 PolarHBondContact O-N 2.62Å | ||
| 632 | P | 85.1 | Confident | 86.4 | Confident | 53 Ų | 53 | 66.6 Ų | 66.6 | 34% | 0.344 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -16.9 | -172.5 | -23.8 | 35.5 | 0 | 0 | 0 | 115.4 | P629 | P629-P632 HydrophobicContact CB-CG 4.05Å; P629-P632 HydrophobicContact CG-CB 4.36Å; P629-P632 HydrophobicContact CG-CG 3.9Å |
| 633 | Q | 80.5 | Confident | 87 | Confident | 61 Ų | 61 | 64.3 Ų | 64.3 | 29% | 0.285 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -13.4 | 177 | 61.1 | -77.4 | -4.2 | 0 | 0 | 113.7 | N598 F631 | N598-Q633 PolarHBondContact O-NE2 2.75Å; F631-Q633 PolarHBondContact O-N 2.69Å |
| 634 | R | 80.2 | Confident | 87.4 | Confident | 88 Ų | 88 | 65.1 Ų | 65.1 | 33% | 0.332 | 36% | 0.36 | S | S | . | . | trans | -97.6 | 113.1 | 179.1 | -75.3 | -171.5 | 175.3 | 178.2 | -2.9 | 109.3 | L599 F631 D636 N637 | L599-R634 PolarHBondContact O-NE 3.23Å; L599-R634 PolarHBondContact O-NH2 2.86Å; F631-R634 HydrophobicContact CB-CB 4.1Å; F631-R634 HydrophobicContact CB-CG 4.21Å; F631-R634 PolarHBondContact O-N 2.62Å; R634-D636 VanDerWaalsContact C-N 3.26Å; R634-D636 WeakPolarHBondContact CB-OD1 3.35Å; R634-N637 HydrophobicContact CB-CB 3.81Å | ||
| 635 | V | 74 | Confident | 87.6 | Confident | 154 Ų | 154 | 58.9 Ų | 58.9 | 93% | 0.933 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -73.1 | -25.9 | 178.2 | -175.8 | 0 | 0 | 0 | 0 | 111.1 | ||
| 636 | D | 76.8 | Confident | 87.7 | Confident | 144 Ų | 144 | 57.4 Ų | 57.4 | 77% | 0.77 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -87.6 | -9 | -177.6 | 62.7 | -37.1 | 0 | 0 | 0 | 114.2 | R634 | R634-D636 VanDerWaalsContact C-N 3.26Å; R634-D636 WeakPolarHBondContact CB-OD1 3.35Å |
| 637 | N | 73.3 | Confident | 87.7 | Confident | 42 Ų | 42 | 59.7 Ų | 59.7 | 23% | 0.225 | 33% | 0.333 | C | S | . | . | trans | -115.3 | 119.6 | -178.8 | -174.6 | -59.8 | 0 | 0 | 0 | 110.2 | R634 D639 | R634-N637 HydrophobicContact CB-CB 3.81Å; N637-D639 PolarHBondContact ND2-OD2 2.82Å; N637-D639 WeakPolarHBondContact OD1-CA 3.09Å; N637-D639 WeakPolarHBondContact OD1-CB 3.37Å; N637-D639 PolarHBondContact OD1-N 2.99Å; N637-D639 PolarHBondContact OD1-OD2 3.03Å | ||
| 638 | S | 78.4 | Confident | 87.8 | Confident | 105 Ų | 105 | 55.8 Ų | 55.8 | 73% | 0.734 | 32% | 0.317 | S | S | * | . | trans | -102.5 | 18 | 178.4 | 63.1 | 0 | 0 | 0 | 0 | 112.9 | T640 | S638-T640 PolarHBondContact O-N 2.88Š| ||
| 639 | D | 89.3 | Confident | 87.9 | Confident | 86 Ų | 86 | 55.7 Ų | 55.7 | 46% | 0.46 | 32% | 0.317 | S | S | . | . | trans | -69.2 | 121.5 | -178.7 | -60.9 | -27.8 | 0 | 0 | 0 | 109.4 | N630 N637 | N630-D639 HydrophobicContact CB-CB 4.36Å; N630-D639 VanDerWaalsContact CB-O 3.32Å; N630-D639 WeakPolarHBondContact CB-O 3.37Å; N630-D639 PolarHBondContact N-O 3.37Å; N637-D639 PolarHBondContact ND2-OD2 2.82Å; N637-D639 WeakPolarHBondContact OD1-CA 3.09Å; N637-D639 WeakPolarHBondContact OD1-CB 3.37Å; N637-D639 PolarHBondContact OD1-N 2.99Å; N637-D639 PolarHBondContact OD1-OD2 3.03Å | ||
| 640 | T | 91.7 | Very high | 88.2 | Confident | 57 Ų | 57 | 56.5 Ų | 56.5 | 35% | 0.35 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 161.6 | 179.6 | 58.7 | 0 | 0 | 0 | 0 | 109.7 | E627 V628 P629 S638 | E627-T640 VanDerWaalsContact CG-CB 3.48Å; E627-T640 HydrophobicContact CG-CG2 3.78Å; E627-T640 VanDerWaalsContact OE1-CB 3.28Å; E627-T640 WeakPolarHBondContact OE1-CB 3.49Å; E627-T640 WeakPolarHBondContact OE1-CG2 3.46Å; E627-T640 PolarHBondContact OE1-OG1 2.73Å; V628-T640 CarbonylContact O-C 3.49Å; V628-T640 VanDerWaalsContact O-CA 3.28Å; V628-T640 WeakPolarHBondContact O-CA 3.24Å; P629-T640 HydrophobicContact CB-CG2 4.48Å; S638-T640 PolarHBondContact O-N 2.88Å |
| 641 | H | 92.8 | Very high | 88.5 | Confident | 23 Ų | 23 | 55.2 Ų | 55.2 | 11% | 0.106 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 158.8 | 165.9 | 66.1 | -75.9 | 0 | 0 | 0 | 109.8 | R603 H604 V628 N630 V643 S768 | R603-H641 PolarHBondContact O-CE1 2.94Å; H604-H641 AromaticContact CE1-CD2 3.69Å; H604-H641 AromaticContact CE1-CE1 3.83Å; H604-H641 AromaticContact CE1-CG 3.93Å; H604-H641 AromaticContact CE1-ND1 4Å; H604-H641 AromaticContact CE1-NE2 3.65Å; H604-H641 AromaticContact ND1-CD2 3.87Å; H604-H641 AromaticContact ND1-CE1 3.92Å; H604-H641 AromaticContact ND1-NE2 3.49Å; H604-H641 PolarHBondContact ND1-NE2 3.3Å; V628-H641 VanDerWaalsContact CG1-CE1 3.5Å; V628-H641 WeakPolarHBondContact CG1-CE1 3.42Å; V628-H641 PolarHBondContact N-O 2.71Å; V628-H641 PolarHBondContact O-N 2.9Å; V628-H641 PolarHBondContact O-ND1 2.93Å; N630-H641 PolarHBondContact OD1-ND1 3.11Å; H641-V643 VanDerWaalsContact CD2-CG2 3.48Å; H641-V643 WeakPolarHBondContact CD2-CG2 3.32Å; H641-V643 VanDerWaalsContact NE2-CG2 3.32Å; H641-V643 WeakPolarHBondContact NE2-CG2 3.38Å; H641-S768 PolarHBondContact CD2-OG 3Å; H641-S768 VanDerWaalsContact CD2-OG 3.3Å |
| 642 | V | 92.8 | Very high | 88.7 | Confident | 83 Ų | 83 | 54.8 Ų | 54.8 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 124.3 | -178.1 | -180 | 0 | 0 | 0 | 0 | 109.5 | S625 | S625-V642 VanDerWaalsContact CB-CG1 3.49Å |
| 643 | V | 93.5 | Very high | 89.2 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 131.1 | 175.8 | 179.8 | 0 | 0 | 0 | 0 | 109.4 | S625 V626 V628 H641 W717 D766 | S625-V643 CarbonylContact C-O 3.53Å; S625-V643 VanDerWaalsContact CA-O 3.23Å; S625-V643 WeakPolarHBondContact CA-O 3.33Å; S625-V643 WeakPolarHBondContact CB-O 3.44Å; V626-V643 PolarHBondContact N-O 3.48Å; V626-V643 PolarHBondContact O-N 3.25Å; V628-V643 HydrophobicContact CB-CG2 4.25Å; V628-V643 HydrophobicContact CG2-CB 4.18Å; V628-V643 HydrophobicContact CG2-CG2 3.69Å; H641-V643 VanDerWaalsContact CD2-CG2 3.48Å; H641-V643 WeakPolarHBondContact CD2-CG2 3.32Å; H641-V643 VanDerWaalsContact NE2-CG2 3.32Å; H641-V643 WeakPolarHBondContact NE2-CG2 3.38Å; V643-W717 HydrophobicContact CB-CH2 4.39Å; V643-W717 HydrophobicContact CG1-CH2 3.85Å; V643-W717 HydrophobicContact CG1-CZ3 3.9Å; V643-D766 HydrophobicContact CG1-CB 3.88Å; V643-D766 HydrophobicContact CG2-CB 4.39Å |
| 644 | Q | 93.6 | Very high | 89.8 | Confident | 58 Ų | 58 | 55.3 Ų | 55.3 | 27% | 0.271 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 142 | 176.6 | -66.6 | -65.7 | -51.4 | 0 | 0 | 111.2 | W717 A719 K720 E767 | Q644-W717 WeakPolarHBondContact O-CZ3 3.28Å; Q644-A719 WeakPolarHBondContact O-CB 3.41Å; Q644-K720 HydrophobicContact CB-CD 4.31Å; Q644-E767 WeakPolarHBondContact CG-OE2 3.49Å |
| 645 | F | 94.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | trans | -124 | 161.1 | 173.8 | -163.2 | -115.1 | 0 | 0 | 0 | 110.7 | I622 P623 N624 V626 I649 L675 V678 L680 W717 A719 | I622-F645 HydrophobicContact CG2-CD1 3.56Å; I622-F645 HydrophobicContact CG2-CE1 3.74Å; P623-F645 HydrophobicContact CG-CD1 3.74Å; P623-F645 HydrophobicContact CG-CE1 4.31Å; P623-F645 HydrophobicContact CG-CG 4.41Å; P623-F645 WeakPolarHBondContact O-CB 3.45Å; P623-F645 WeakPolarHBondContact O-CD1 3.3Å; N624-F645 PolarHBondContact O-N 3.29Å; V626-F645 HydrophobicContact CG2-CB 4.13Å; V626-F645 HydrophobicContact CG2-CG 4.34Å; F645-I649 HydrophobicContact CD2-CG2 4.1Å; F645-I649 HydrophobicContact CE2-CG2 3.6Å; F645-I649 HydrophobicContact CZ-CG2 4.04Å; F645-L675 HydrophobicContact CE2-CD1 4.09Å; F645-L675 HydrophobicContact CZ-CD1 3.78Å; F645-V678 HydrophobicContact CD1-CG1 4.2Å; F645-V678 HydrophobicContact CE1-CG1 3.78Å; F645-V678 HydrophobicContact CE2-CG1 4.19Å; F645-V678 HydrophobicContact CE2-CG2 4.02Å; F645-V678 HydrophobicContact CZ-CG1 3.78Å; F645-V678 HydrophobicContact CZ-CG2 4.3Å; F645-L680 HydrophobicContact CE1-CD1 3.95Å; F645-L680 HydrophobicContact CZ-CD1 4.2Å; F645-W717 HydrophobicContact CB-CH2 4.23Å; F645-W717 HydrophobicContact CB-CZ3 4.46Å; F645-W717 HydrophobicContact CD2-CD2 4.04Å; F645-W717 AromaticContact CD2-CE3 3.61Å; F645-W717 HydrophobicContact CD2-CE3 3.61Å; F645-W717 AromaticContact CD2-CH2 3.38Å; F645-W717 HydrophobicContact CD2-CH2 3.38Å; F645-W717 AromaticContact CD2-CZ2 3.78Å; F645-W717 HydrophobicContact CD2-CZ2 3.78Å; F645-W717 AromaticContact CD2-CZ3 3.32Å; F645-W717 HydrophobicContact CD2-CZ3 3.32Å; F645-W717 AromaticContact CE2-CD2 3.79Å; F645-W717 HydrophobicContact CE2-CD2 3.79Å; F645-W717 AromaticContact CE2-CE2 3.94Å; F645-W717 AromaticContact CE2-CE3 3.75Å; F645-W717 HydrophobicContact CE2-CE3 3.75Å; F645-W717 HydrophobicContact CE2-CH2 4.07Å; F645-W717 HydrophobicContact CE2-CZ2 4.06Å; F645-W717 AromaticContact CE2-CZ3 3.95Å; F645-W717 HydrophobicContact CE2-CZ3 3.95Å; F645-W717 HydrophobicContact CG-CH2 4.22Å; F645-W717 HydrophobicContact CG-CZ3 4.36Å; F645-A719 HydrophobicContact CD2-CB 4.44Å | ||
| 646 | S | 92.9 | Very high | 91.5 | Very high | 26 Ų | 26 | 44.8 Ų | 44.8 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | trans | -162.7 | 175 | 174.9 | 83.9 | 0 | 0 | 0 | 0 | 111.3 | V648 I649 | S646-V648 PolarHBondContact O-N 2.75Å; S646-V648 PolarHBondContact OG-N 3.5Å; S646-V648 VanDerWaalsContact OG-N 3.13Å; S646-V648 PolarHBondContact OG-O 3.34Å; S646-I649 WeakPolarHBondContact O-CG2 3.32Å | ||
| 647 | S | 92.2 | Very high | 92.2 | Very high | 57 Ų | 57 | 42.7 Ų | 42.7 | 40% | 0.399 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -68.2 | -10.7 | 172.7 | 56.7 | 0 | 0 | 0 | 0 | 114.1 | L615 | L615-S647 WeakPolarHBondContact CD1-O 3.34Å; L615-S647 PolarHBondContact N-O 2.95Å |
| 648 | V | 94.8 | Very high | 93 | Very high | 40 Ų | 40 | 44.8 Ų | 44.8 | 24% | 0.242 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 117.7 | 172.9 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | K612 S646 | K612-V648 HydrophobicContact CD-CG1 4.43Å; K612-V648 HydrophobicContact CG-CG1 4.05Å; S646-V648 PolarHBondContact O-N 2.75Å; S646-V648 PolarHBondContact OG-N 3.5Å; S646-V648 VanDerWaalsContact OG-N 3.13Å; S646-V648 PolarHBondContact OG-O 3.34Å |
| 649 | I | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 168.1 | 179 | 70.2 | 176.9 | 0 | 0 | 0 | 110.2 | V613 L615 F645 S646 I651 L675 L682 W717 V718 A719 | V613-I649 HydrophobicContact CB-CD1 4.49Å; V613-I649 HydrophobicContact CB-CG1 3.79Å; V613-I649 HydrophobicContact CG1-CG1 4.3Å; V613-I649 PolarHBondContact N-O 2.57Å; V613-I649 PolarHBondContact O-N 3.28Å; L615-I649 HydrophobicContact CD1-CB 4.45Å; L615-I649 HydrophobicContact CD1-CD1 4.05Å; L615-I649 HydrophobicContact CD1-CG1 3.93Å; L615-I649 HydrophobicContact CD1-CG2 3.87Å; F645-I649 HydrophobicContact CD2-CG2 4.1Å; F645-I649 HydrophobicContact CE2-CG2 3.6Å; F645-I649 HydrophobicContact CZ-CG2 4.04Å; S646-I649 WeakPolarHBondContact O-CG2 3.32Å; I649-I651 HydrophobicContact CD1-CG2 4.39Å; I649-L675 HydrophobicContact CD1-CD1 3.61Å; I649-L675 HydrophobicContact CD1-CD2 3.94Å; I649-L675 HydrophobicContact CD1-CG 4.44Å; I649-L682 HydrophobicContact CD1-CD1 4.44Å; I649-W717 HydrophobicContact CD1-CB 4.09Å; I649-V718 CarbonylContact C-O 3.6Å; I649-V718 WeakPolarHBondContact CA-O 3.33Å; I649-A719 HydrophobicContact CG2-CB 3.97Å |
| 650 | Y | 97.7 | Very high | 93 | Very high | 54 Ų | 54 | 46 Ų | 46 | 21% | 0.212 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.2 | 174.4 | -60.2 | -88.6 | 0 | 0 | 0 | 109.1 | V607 P610 L611 K612 W717 V718 P721 F764 | V607-Y650 WeakPolarHBondContact CG2-O 3.4Å; P610-Y650 HydrophobicContact CB-CD1 4.08Å; P610-Y650 HydrophobicContact CB-CG 4.39Å; L611-Y650 WeakPolarHBondContact O-CA 3.45Å; K612-Y650 HydrophobicContact CB-CD1 4.06Å; K612-Y650 HydrophobicContact CB-CE1 3.75Å; K612-Y650 HydrophobicContact CG-CD1 4.42Å; K612-Y650 HydrophobicContact CG-CE1 3.84Å; Y650-W717 CarbonylContact O-C 3.57Å; Y650-W717 VanDerWaalsContact O-CA 3.22Å; Y650-W717 WeakPolarHBondContact O-CA 3.26Å; Y650-V718 PolarHBondContact N-O 2.97Å; Y650-V718 PolarHBondContact O-N 2.98Å; Y650-P721 HydrophobicContact CD2-CG 3.69Å; Y650-P721 HydrophobicContact CE2-CG 3.65Å; Y650-F764 AromaticContact CD1-CD2 3.85Å; Y650-F764 HydrophobicContact CD1-CD2 3.85Å; Y650-F764 AromaticContact CD1-CE2 3.51Å; Y650-F764 HydrophobicContact CD1-CE2 3.51Å; Y650-F764 AromaticContact CD2-CD2 3.81Å; Y650-F764 HydrophobicContact CD2-CD2 3.81Å; Y650-F764 AromaticContact CD2-CE2 3.93Å; Y650-F764 HydrophobicContact CD2-CE2 3.93Å; Y650-F764 HydrophobicContact CE1-CD2 4.33Å; Y650-F764 AromaticContact CE1-CE2 3.58Å; Y650-F764 HydrophobicContact CE1-CE2 3.58Å; Y650-F764 HydrophobicContact CE2-CD2 4.31Å; Y650-F764 HydrophobicContact CE2-CE2 4.01Å; Y650-F764 AromaticContact CG-CD2 3.55Å; Y650-F764 HydrophobicContact CG-CD2 3.55Å; Y650-F764 AromaticContact CG-CE2 3.67Å; Y650-F764 HydrophobicContact CG-CE2 3.67Å; Y650-F764 AromaticContact CZ-CE2 3.83Å |
| 651 | I | 97.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 166.7 | 175.7 | 65.5 | 172.7 | 0 | 0 | 0 | 109.3 | V607 L611 V613 I649 A653 F667 L698 I715 W717 | V607-I651 VanDerWaalsContact CG1-C 3.42Å; V607-I651 VanDerWaalsContact CG1-O 3.28Å; V607-I651 WeakPolarHBondContact CG1-O 2.98Å; L611-I651 HydrophobicContact CB-CG1 4.22Å; L611-I651 PolarHBondContact N-O 3.15Å; L611-I651 PolarHBondContact O-N 3.02Å; V613-I651 HydrophobicContact CG2-CD1 3.79Å; V613-I651 HydrophobicContact CG2-CG1 3.74Å; V613-I651 HydrophobicContact CG2-CG2 4.15Å; I649-I651 HydrophobicContact CD1-CG2 4.39Å; I651-A653 PolarHBondContact O-N 3.45Å; I651-F667 HydrophobicContact CD1-CD1 4.35Å; I651-L698 HydrophobicContact CD1-CD1 4.32Å; I651-I715 HydrophobicContact CB-CD1 4.15Å; I651-I715 HydrophobicContact CD1-CD1 3.97Å; I651-I715 HydrophobicContact CG2-CD1 3.84Å; I651-W717 HydrophobicContact CG2-CB 4.27Å |
| 652 | E | 96.3 | Very high | 92.2 | Very high | 15 Ų | 15 | 58.5 Ų | 58.5 | 7% | 0.07 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 132.8 | 170.2 | -67.2 | -68.7 | 175.9 | 0 | 0 | 110.2 | V607 L608 R609 D654 D655 H716 | V607-E652 WeakPolarHBondContact CA-OE1 3.34Å; V607-E652 HydrophobicContact CG1-CG 4.38Å; L608-E652 PolarHBondContact N-OE1 2.87Å; L608-E652 PolarHBondContact N-OE2 2.78Å; R609-E652 PolarHBondContact N-OE2 3.03Å; E652-D654 PolarHBondContact O-N 2.71Å; E652-D655 HydrophobicContact CB-CB 4.3Å; E652-D655 WeakPolarHBondContact O-CB 3.36Å; E652-D655 PolarHBondContact O-N 2.9Å; E652-H716 WeakPolarHBondContact CG-CE1 3.28Å; E652-H716 WeakPolarHBondContact CG-NE2 3.26Å; E652-H716 IonicContact OE1-CE1 2.78Å; E652-H716 IonicContact OE1-NE2 3.48Å; E652-H716 PolarHBondContact OE1-NE2 2.96Å |
| 653 | A | 94.5 | Very high | 91.9 | Very high | 38 Ų | 38 | 59.2 Ų | 59.2 | 31% | 0.314 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -56 | -35 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R609 L611 I651 D655 F656 | R609-A653 HydrophobicContact CB-CB 4.31Å; R609-A653 WeakPolarHBondContact O-CB 3.39Å; R609-A653 PolarHBondContact O-N 2.89Å; L611-A653 HydrophobicContact CB-CB 4.28Å; I651-A653 PolarHBondContact O-N 3.45Å; A653-D655 PolarHBondContact O-N 3.32Å; A653-F656 PolarHBondContact O-N 2.76Å |
| 654 | D | 92.9 | Very high | 91.6 | Very high | 88 Ų | 88 | 60 Ų | 60 | 47% | 0.471 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -71.4 | -10.1 | 177.9 | -67.4 | -24.4 | 0 | 0 | 0 | 113.8 | R609 E652 R666 | R609-D654 IonicContact NH1-OD2 3.87Å; E652-D654 PolarHBondContact O-N 2.71Å; D654-R666 PolarHBondContact O-NH1 3.36Å; D654-R666 PolarHBondContact O-NH2 3.47Å |
| 655 | D | 94.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -83.5 | -10.8 | 174.9 | -74.3 | -24.5 | 0 | 0 | 0 | 113.4 | E652 A653 R666 F667 I715 R783 | E652-D655 HydrophobicContact CB-CB 4.3Å; E652-D655 WeakPolarHBondContact O-CB 3.36Å; E652-D655 PolarHBondContact O-N 2.9Å; A653-D655 PolarHBondContact O-N 3.32Å; D655-R666 WeakPolarHBondContact O-CB 3.19Å; D655-R666 WeakPolarHBondContact OD1-CD 3.49Å; D655-R666 IonicContact OD1-CZ 2.72Å; D655-R666 IonicContact OD1-NE 2.78Å; D655-R666 IonicContact OD1-NH1 2.67Å; D655-R666 PolarHBondContact OD1-NH1 2.94Å; D655-F667 WeakPolarHBondContact O-CB 3.31Å; D655-F667 PolarHBondContact O-N 3.04Å; D655-I715 HydrophobicContact CB-CD1 4.37Å; D655-I715 HydrophobicContact CB-CG2 4.08Å; D655-R783 IonicContact OD1-CZ 2.75Å; D655-R783 IonicContact OD1-NH1 2.88Å; D655-R783 IonicContact OD1-NH2 3.64Å; D655-R783 PolarHBondContact OD1-NH2 3.47Å; D655-R783 IonicContact OD2-CZ 2.84Å; D655-R783 IonicContact OD2-NH1 2.94Å; D655-R783 PolarHBondContact OD2-NH1 3.49Å; D655-R783 IonicContact OD2-NH2 3.57Å; D655-R783 PolarHBondContact OD2-NH2 3.34Å |
| 656 | F | 95.2 | Very high | 91.2 | Very high | 17 Ų | 17 | 67.4 Ų | 67.4 | 8% | 0.075 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.5 | 175.1 | 179.7 | -104.3 | 0 | 0 | 0 | 112.6 | L611 A653 E658 F667 L684 A687 V695 L698 | L611-F656 HydrophobicContact CD2-CB 3.79Å; L611-F656 HydrophobicContact CD2-CD1 4.24Å; L611-F656 HydrophobicContact CD2-CG 4.26Å; A653-F656 PolarHBondContact O-N 2.76Å; F656-E658 HydrophobicContact CE1-CG 3.9Å; F656-E658 HydrophobicContact CZ-CG 4.07Å; F656-F667 WeakPolarHBondContact CA-O 3.2Å; F656-F667 HydrophobicContact CD2-CB 4.24Å; F656-F667 AromaticContact CD2-CD1 3.66Å; F656-F667 HydrophobicContact CD2-CD1 3.66Å; F656-F667 HydrophobicContact CD2-CE1 4.19Å; F656-F667 AromaticContact CD2-CG 3.98Å; F656-F667 HydrophobicContact CD2-CG 3.98Å; F656-F667 HydrophobicContact CE2-CD1 4.33Å; F656-F667 HydrophobicContact CE2-CE1 4.48Å; F656-L684 HydrophobicContact CE2-CD1 4.2Å; F656-L684 HydrophobicContact CE2-CD2 3.97Å; F656-L684 HydrophobicContact CZ-CD1 4.45Å; F656-L684 HydrophobicContact CZ-CD2 3.96Å; F656-A687 HydrophobicContact CZ-CB 4.29Å; F656-V695 HydrophobicContact CD1-CG1 4.38Å; F656-V695 HydrophobicContact CE1-CB 4.48Å; F656-V695 HydrophobicContact CE1-CG1 4.11Å; F656-V695 HydrophobicContact CE1-CG2 4.14Å; F656-L698 HydrophobicContact CB-CD1 4.01Å; F656-L698 HydrophobicContact CD1-CD1 4.12Å; F656-L698 HydrophobicContact CD1-CD2 3.98Å; F656-L698 HydrophobicContact CD2-CD1 3.56Å; F656-L698 HydrophobicContact CD2-CD2 4.26Å; F656-L698 HydrophobicContact CE1-CD2 3.7Å; F656-L698 HydrophobicContact CE2-CD1 4.01Å; F656-L698 HydrophobicContact CE2-CD2 3.98Å; F656-L698 HydrophobicContact CG-CD1 3.61Å; F656-L698 HydrophobicContact CG-CD2 4.25Å; F656-L698 HydrophobicContact CZ-CD1 4.48Å; F656-L698 HydrophobicContact CZ-CD2 3.68Å |
| 657 | K | 92.3 | Very high | 91.2 | Very high | 101 Ų | 101 | 66.2 Ų | 66.2 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 133.6 | 166.7 | -70.3 | -171.6 | 175.6 | -168.1 | 0 | 109.8 | Q659 F664 F667 T668 | K657-Q659 VanDerWaalsContact C-N 3.33Å; K657-Q659 PolarHBondContact O-N 2.8Å; K657-F664 HydrophobicContact CB-CE1 4.08Å; K657-F664 HydrophobicContact CB-CZ 4.14Å; K657-F664 HydrophobicContact CD-CD2 4.05Å; K657-F664 HydrophobicContact CD-CE2 3.84Å; K657-F664 HydrophobicContact CD-CG 4.47Å; K657-F664 HydrophobicContact CD-CZ 4.11Å; K657-F664 HydrophobicContact CG-CE1 4.22Å; K657-F664 HydrophobicContact CG-CE2 4Å; K657-F664 HydrophobicContact CG-CZ 3.78Å; K657-F667 PolarHBondContact N-O 3.12Å; K657-T668 WeakPolarHBondContact O-CA 3.5Å; K657-T668 WeakPolarHBondContact O-CB 3.25Å; K657-T668 WeakPolarHBondContact O-CG2 3.4Å |
| 658 | E | 89.4 | Confident | 91.2 | Very high | 86 Ų | 86 | 63.8 Ų | 63.8 | 40% | 0.402 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -59.3 | -46.4 | 177.5 | -64.6 | -169.8 | 121.5 | 0 | 0 | 111.7 | F656 A669 K689 | F656-E658 HydrophobicContact CE1-CG 3.9Å; F656-E658 HydrophobicContact CZ-CG 4.07Å; E658-A669 WeakPolarHBondContact O-CB 3.41Å; E658-A669 PolarHBondContact O-N 3.38Å; E658-K689 WeakPolarHBondContact OE1-CE 3.45Å; E658-K689 IonicContact OE1-NZ 3.3Å; E658-K689 PolarHBondContact OE1-NZ 2.75Å; E658-K689 IonicContact OE2-NZ 2.79Å; E658-K689 PolarHBondContact OE2-NZ 3.38Å |
| 659 | Q | 87 | Confident | 91 | Very high | 182 Ų | 182 | 64.7 Ų | 64.7 | 85% | 0.85 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -119.1 | 114 | 171.9 | -63.5 | -176.9 | 5.5 | 0 | 0 | 108.9 | K657 | K657-Q659 VanDerWaalsContact C-N 3.33Å; K657-Q659 PolarHBondContact O-N 2.8Å |
| 660 | G | 80.7 | Confident | 90.6 | Very high | 33 Ų | 33 | 70.4 Ų | 70.4 | 34% | 0.34 | 37% | 0.373 | S | S | . | . | trans | -100.9 | 143.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 661 | D | 86 | Confident | 90.3 | Very high | 121 Ų | 121 | 69.5 Ų | 69.5 | 65% | 0.647 | 37% | 0.371 | S | S | * | . | trans | -70.6 | 165.6 | 169.1 | -55.6 | -37.5 | 0 | 0 | 0 | 110.8 | S663 F664 | D661-S663 PolarHBondContact O-N 3.48Å; D661-F664 WeakPolarHBondContact O-CB 3.48Å; D661-F664 PolarHBondContact O-N 2.51Å | ||
| 662 | K | 82.3 | Confident | 90.1 | Very high | 223 Ų | 223 | 71 Ų | 71 | 97% | 0.97 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -21.9 | 178.2 | -70.9 | -175.8 | 178.9 | 178.9 | 0 | 114.3 | ||
| 663 | S | 85.8 | Confident | 90.1 | Very high | 98 Ų | 98 | 70.3 Ų | 70.3 | 69% | 0.685 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -17.5 | 176.9 | 61.2 | 0 | 0 | 0 | 0 | 113.9 | D661 K665 | D661-S663 PolarHBondContact O-N 3.48Å; S663-K665 PolarHBondContact O-N 2.8Å |
| 664 | F | 87.1 | Confident | 90.1 | Very high | 20 Ų | 20 | 68.5 Ų | 68.5 | 9% | 0.088 | 36% | 0.363 | C | S | . | . | trans | -85.1 | 97.1 | -176.4 | -168.9 | -95.9 | 0 | 0 | 0 | 111.2 | K657 D661 R666 F667 T668 Q671 | K657-F664 HydrophobicContact CB-CE1 4.08Å; K657-F664 HydrophobicContact CB-CZ 4.14Å; K657-F664 HydrophobicContact CD-CD2 4.05Å; K657-F664 HydrophobicContact CD-CE2 3.84Å; K657-F664 HydrophobicContact CD-CG 4.47Å; K657-F664 HydrophobicContact CD-CZ 4.11Å; K657-F664 HydrophobicContact CG-CE1 4.22Å; K657-F664 HydrophobicContact CG-CE2 4Å; K657-F664 HydrophobicContact CG-CZ 3.78Å; D661-F664 WeakPolarHBondContact O-CB 3.48Å; D661-F664 PolarHBondContact O-N 2.51Å; F664-R666 VanDerWaalsContact C-N 3.3Å; F664-R666 HydrophobicContact CD1-CB 4.21Å; F664-R666 HydrophobicContact CE1-CB 3.63Å; F664-R666 HydrophobicContact CE2-CB 4.32Å; F664-R666 VanDerWaalsContact CE2-NE 3.3Å; F664-R666 HydrophobicContact CZ-CB 3.7Å; F664-R666 HydrophobicContact CZ-CG 4.46Å; F664-R666 PolarHBondContact O-N 2.82Å; F664-F667 WeakPolarHBondContact CE1-O 3.49Å; F664-T668 HydrophobicContact CD1-CG2 3.52Å; F664-T668 HydrophobicContact CE1-CG2 3.69Å; F664-Q671 PolarHBondContact O-NE2 2.85Å | ||
| 665 | K | 88.4 | Confident | 90.2 | Very high | 132 Ų | 132 | 64.3 Ų | 64.3 | 57% | 0.574 | 34% | 0.341 | S | S | * | . | trans | -89.1 | 17.7 | -176.7 | -59.5 | -177.5 | -178.4 | -178.6 | 0 | 114.5 | S663 Q671 K712 G713 | S663-K665 PolarHBondContact O-N 2.8Å; K665-Q671 VanDerWaalsContact C-NE2 3.28Å; K665-K712 HydrophobicContact CB-CB 4.33Å; K665-G713 WeakPolarHBondContact O-CA 3.24Å; K665-G713 PolarHBondContact O-N 2.9Å | ||
| 666 | R | 91.4 | Very high | 90.1 | Very high | 82 Ų | 82 | 66.1 Ų | 66.1 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -106.8 | -153.2 | -175.9 | -57 | -178.7 | -86.2 | -172.2 | -6.6 | 110.6 | D654 D655 F664 Q671 I715 | D654-R666 PolarHBondContact O-NH1 3.36Å; D654-R666 PolarHBondContact O-NH2 3.47Å; D655-R666 WeakPolarHBondContact O-CB 3.19Å; D655-R666 WeakPolarHBondContact OD1-CD 3.49Å; D655-R666 IonicContact OD1-CZ 2.72Å; D655-R666 IonicContact OD1-NE 2.78Å; D655-R666 IonicContact OD1-NH1 2.67Å; D655-R666 PolarHBondContact OD1-NH1 2.94Å; F664-R666 VanDerWaalsContact C-N 3.3Å; F664-R666 HydrophobicContact CD1-CB 4.21Å; F664-R666 HydrophobicContact CE1-CB 3.63Å; F664-R666 HydrophobicContact CE2-CB 4.32Å; F664-R666 VanDerWaalsContact CE2-NE 3.3Å; F664-R666 HydrophobicContact CZ-CB 3.7Å; F664-R666 HydrophobicContact CZ-CG 4.46Å; F664-R666 PolarHBondContact O-N 2.82Å; R666-Q671 PolarHBondContact O-NE2 3.08Å; R666-I715 HydrophobicContact CG-CG2 4.46Å |
| 667 | F | 93.6 | Very high | 90 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 126.3 | -169.9 | -165.9 | -155.9 | 0 | 0 | 0 | 112.3 | I651 D655 F656 K657 F664 Q671 V673 L682 L684 L698 V700 | I651-F667 HydrophobicContact CD1-CD1 4.35Å; D655-F667 WeakPolarHBondContact O-CB 3.31Å; D655-F667 PolarHBondContact O-N 3.04Å; F656-F667 WeakPolarHBondContact CA-O 3.2Å; F656-F667 HydrophobicContact CD2-CB 4.24Å; F656-F667 AromaticContact CD2-CD1 3.66Å; F656-F667 HydrophobicContact CD2-CD1 3.66Å; F656-F667 HydrophobicContact CD2-CE1 4.19Å; F656-F667 AromaticContact CD2-CG 3.98Å; F656-F667 HydrophobicContact CD2-CG 3.98Å; F656-F667 HydrophobicContact CE2-CD1 4.33Å; F656-F667 HydrophobicContact CE2-CE1 4.48Å; K657-F667 PolarHBondContact N-O 3.12Å; F664-F667 WeakPolarHBondContact CE1-O 3.49Å; F667-Q671 WeakPolarHBondContact CD2-O 3.37Å; F667-V673 HydrophobicContact CB-CB 3.88Å; F667-V673 HydrophobicContact CB-CG1 3.7Å; F667-V673 HydrophobicContact CB-CG2 4.42Å; F667-V673 HydrophobicContact CD1-CG1 4.21Å; F667-V673 HydrophobicContact CD2-CB 4.18Å; F667-V673 HydrophobicContact CD2-CG1 3.82Å; F667-V673 HydrophobicContact CG-CB 4.2Å; F667-V673 HydrophobicContact CG-CG1 3.66Å; F667-L682 HydrophobicContact CZ-CB 4.5Å; F667-L684 HydrophobicContact CE1-CD1 4.36Å; F667-L684 HydrophobicContact CE2-CB 3.94Å; F667-L684 HydrophobicContact CZ-CB 3.73Å; F667-L684 HydrophobicContact CZ-CD1 4.08Å; F667-L698 HydrophobicContact CD1-CD1 3.78Å; F667-L698 HydrophobicContact CE1-CD1 3.59Å; F667-V700 HydrophobicContact CE1-CG1 3.67Å; F667-V700 HydrophobicContact CZ-CB 4.49Å; F667-V700 HydrophobicContact CZ-CG1 3.55Å |
| 668 | T | 92.7 | Very high | 90 | Very high | 6 Ų | 6 | 65.1 Ų | 65.1 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 173.8 | 175.6 | 70.3 | 0 | 0 | 0 | 0 | 111 | K657 F664 S670 Q671 | K657-T668 WeakPolarHBondContact O-CA 3.5Å; K657-T668 WeakPolarHBondContact O-CB 3.25Å; K657-T668 WeakPolarHBondContact O-CG2 3.4Å; F664-T668 HydrophobicContact CD1-CG2 3.52Å; F664-T668 HydrophobicContact CE1-CG2 3.69Å; T668-S670 PolarHBondContact O-N 3.5Å; T668-S670 PolarHBondContact OG1-N 2.82Å; T668-Q671 PolarHBondContact N-O 2.86Å; T668-Q671 VanDerWaalsContact N-O 3.16Å; T668-Q671 PolarHBondContact O-N 3.05Å; T668-Q671 VanDerWaalsContact O-O 3.09Å; T668-Q671 WeakPolarHBondContact OG1-CB 3.26Å; T668-Q671 PolarHBondContact OG1-N 3Å |
| 669 | A | 90.2 | Very high | 90 | Very high | 59 Ų | 59 | 62.4 Ų | 62.4 | 49% | 0.488 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -59.1 | -31.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E658 L684 | E658-A669 WeakPolarHBondContact O-CB 3.41Å; E658-A669 PolarHBondContact O-N 3.38Å; A669-L684 HydrophobicContact CB-CD2 3.86Å |
| 670 | S | 87.8 | Confident | 90.3 | Very high | 121 Ų | 121 | 54 Ų | 54 | 85% | 0.846 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -104.7 | -8.1 | -178.8 | 59.5 | 0 | 0 | 0 | 0 | 114.6 | T668 | T668-S670 PolarHBondContact O-N 3.5Å; T668-S670 PolarHBondContact OG1-N 2.82Å |
| 671 | Q | 91.9 | Very high | 90.9 | Very high | 35 Ų | 35 | 52.5 Ų | 52.5 | 16% | 0.164 | 28% | 0.284 | C | S | . | . | trans | -125.6 | 123.3 | -172.7 | -171.6 | 174.8 | -91.4 | 0 | 0 | 110.5 | F664 K665 R666 F667 T668 | F664-Q671 PolarHBondContact O-NE2 2.85Å; K665-Q671 VanDerWaalsContact C-NE2 3.28Å; R666-Q671 PolarHBondContact O-NE2 3.08Å; F667-Q671 WeakPolarHBondContact CD2-O 3.37Å; T668-Q671 PolarHBondContact N-O 2.86Å; T668-Q671 VanDerWaalsContact N-O 3.16Å; T668-Q671 PolarHBondContact O-N 3.05Å; T668-Q671 VanDerWaalsContact O-O 3.09Å; T668-Q671 WeakPolarHBondContact OG1-CB 3.26Å; T668-Q671 PolarHBondContact OG1-N 3Å | ||
| 672 | S | 93.3 | Very high | 91.3 | Very high | 31 Ų | 31 | 46.7 Ų | 46.7 | 22% | 0.217 | 25% | 0.253 | C | S | . | . | trans | -70.9 | 159.1 | 174.5 | 58.1 | 0 | 0 | 0 | 0 | 112.7 | L682 | S672-L682 WeakPolarHBondContact CA-O 3.42Å; S672-L682 WeakPolarHBondContact CB-O 3.5Å | ||
| 673 | V | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 146.3 | 177.9 | 74.6 | 0 | 0 | 0 | 0 | 110.7 | F667 V681 L682 G713 I715 | F667-V673 HydrophobicContact CB-CB 3.88Å; F667-V673 HydrophobicContact CB-CG1 3.7Å; F667-V673 HydrophobicContact CB-CG2 4.42Å; F667-V673 HydrophobicContact CD1-CG1 4.21Å; F667-V673 HydrophobicContact CD2-CB 4.18Å; F667-V673 HydrophobicContact CD2-CG1 3.82Å; F667-V673 HydrophobicContact CG-CB 4.2Å; F667-V673 HydrophobicContact CG-CG1 3.66Å; V673-V681 CarbonylContact O-C 3.58Å; V673-V681 WeakPolarHBondContact O-CA 3.44Å; V673-L682 HydrophobicContact CG1-CB 4.08Å; V673-L682 HydrophobicContact CG1-CD1 4.29Å; V673-L682 HydrophobicContact CG1-CG 4.42Å; V673-L682 PolarHBondContact N-O 2.94Å; V673-L682 VanDerWaalsContact N-O 3.14Å; V673-L682 PolarHBondContact O-N 3.13Å; V673-G713 WeakPolarHBondContact CG2-O 3.32Å; V673-I715 HydrophobicContact CB-CD1 4.49Å; V673-I715 HydrophobicContact CG1-CD1 3.76Å; V673-I715 HydrophobicContact CG1-CG1 4.23Å; V673-I715 HydrophobicContact CG2-CB 4.25Å; V673-I715 HydrophobicContact CG2-CD1 3.93Å; V673-I715 HydrophobicContact CG2-CG1 3.79Å; V673-I715 HydrophobicContact CG2-CG2 3.6Å |
| 674 | G | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 145.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L680 G713 F714 I715 | G674-L680 WeakPolarHBondContact CA-O 3.46Å; G674-G713 PolarHBondContact N-O 3.08Å; G674-F714 CarbonylContact O-C 3.57Å; G674-F714 VanDerWaalsContact O-CA 3.23Å; G674-F714 WeakPolarHBondContact O-CA 3.46Å; G674-I715 PolarHBondContact O-N 3.21Å |
| 675 | L | 94.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 127.3 | 168.4 | -64.6 | -176.4 | 0 | 0 | 0 | 110 | F645 I649 Y677 V678 L680 L682 I715 W717 | F645-L675 HydrophobicContact CE2-CD1 4.09Å; F645-L675 HydrophobicContact CZ-CD1 3.78Å; I649-L675 HydrophobicContact CD1-CD1 3.61Å; I649-L675 HydrophobicContact CD1-CD2 3.94Å; I649-L675 HydrophobicContact CD1-CG 4.44Å; L675-Y677 PolarHBondContact O-N 3.39Å; L675-V678 HydrophobicContact CB-CB 4.06Å; L675-V678 HydrophobicContact CB-CG2 3.66Å; L675-V678 HydrophobicContact CD1-CG2 4.33Å; L675-L680 PolarHBondContact N-O 2.88Å; L675-L682 HydrophobicContact CD1-CD1 4.16Å; L675-L682 HydrophobicContact CD1-CD2 4.14Å; L675-L682 HydrophobicContact CD1-CG 4.34Å; L675-L682 HydrophobicContact CD2-CD1 3.73Å; L675-L682 HydrophobicContact CD2-CG 4.34Å; L675-L682 HydrophobicContact CG-CD1 3.96Å; L675-L682 HydrophobicContact CG-CD2 4.37Å; L675-L682 HydrophobicContact CG-CG 4.07Å; L675-I715 HydrophobicContact CD2-CD1 4.47Å; L675-I715 HydrophobicContact CD2-CG1 4.06Å; L675-W717 HydrophobicContact CD2-CB 4.25Å; L675-W717 HydrophobicContact CD2-CG 4.23Å |
| 676 | K | 93.4 | Very high | 92.7 | Very high | 41 Ų | 41 | 40.9 Ų | 40.9 | 18% | 0.178 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 134.6 | 176.9 | -96.3 | -152.4 | 173.4 | -161.1 | 0 | 111.2 | M605 V678 F714 I715 W717 E782 | M605-K676 HydrophobicContact CE-CB 4.19Å; K676-V678 WeakPolarHBondContact O-CG2 3.36Å; K676-V678 PolarHBondContact O-N 2.78Å; K676-F714 HydrophobicContact CG-CB 3.99Å; K676-I715 PolarHBondContact N-O 2.94Å; K676-W717 PolarHBondContact O-NE1 2.89Å; K676-E782 HydrophobicContact CD-CG 3.81Å; K676-E782 IonicContact NZ-OE1 2.71Å; K676-E782 PolarHBondContact NZ-OE1 3.03Å; K676-E782 IonicContact NZ-OE2 3.05Å; K676-E782 PolarHBondContact NZ-OE2 3.3Å |
| 677 | Y | 92.1 | Very high | 92.8 | Very high | 74 Ų | 74 | 38.1 Ų | 38.1 | 29% | 0.29 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | -9.2 | 176.9 | -42.8 | -60.9 | 0 | 0 | 0 | 117.1 | M605 V626 V628 P629 L675 E782 | M605-Y677 HydrophobicContact CE-CD2 3.26Å; M605-Y677 HydrophobicContact CE-CE2 3.46Å; M605-Y677 VanDerWaalsContact CE-CE2 3.46Å; V626-Y677 VanDerWaalsContact CG1-O 3.3Å; V626-Y677 WeakPolarHBondContact CG1-O 3.44Å; V628-Y677 HydrophobicContact CB-CD2 4.34Å; V628-Y677 HydrophobicContact CG1-CD2 3.78Å; V628-Y677 HydrophobicContact CG1-CE2 3.73Å; V628-Y677 HydrophobicContact CG2-CD2 3.97Å; P629-Y677 HydrophobicContact CG-CD1 4.22Å; P629-Y677 HydrophobicContact CG-CE1 3.82Å; L675-Y677 PolarHBondContact O-N 3.39Å; Y677-E782 PolarHBondContact OH-OE2 2.95Å |
| 678 | V | 91.7 | Very high | 92.8 | Very high | 23 Ų | 23 | 41.8 Ų | 41.8 | 14% | 0.139 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -28.5 | -179.9 | -158.6 | 0 | 0 | 0 | 0 | 112.9 | P623 V626 F645 L675 K676 L680 W717 | P623-V678 HydrophobicContact CG-CG1 3.8Å; V626-V678 HydrophobicContact CG2-CB 4.41Å; V626-V678 HydrophobicContact CG2-CG1 4.05Å; V626-V678 HydrophobicContact CG2-CG2 4.17Å; F645-V678 HydrophobicContact CD1-CG1 4.2Å; F645-V678 HydrophobicContact CE1-CG1 3.78Å; F645-V678 HydrophobicContact CE2-CG1 4.19Å; F645-V678 HydrophobicContact CE2-CG2 4.02Å; F645-V678 HydrophobicContact CZ-CG1 3.78Å; F645-V678 HydrophobicContact CZ-CG2 4.3Å; L675-V678 HydrophobicContact CB-CB 4.06Å; L675-V678 HydrophobicContact CB-CG2 3.66Å; L675-V678 HydrophobicContact CD1-CG2 4.33Å; K676-V678 WeakPolarHBondContact O-CG2 3.36Å; K676-V678 PolarHBondContact O-N 2.78Å; V678-L680 HydrophobicContact CB-CG 4.35Å; V678-L680 HydrophobicContact CG1-CB 4.42Å; V678-L680 HydrophobicContact CG1-CD1 3.68Å; V678-L680 HydrophobicContact CG1-CG 3.8Å; V678-W717 HydrophobicContact CG2-CD2 4.4Å; V678-W717 HydrophobicContact CG2-CZ2 3.4Å |
| 679 | G | 90.9 | Very high | 92.9 | Very high | 29 Ų | 29 | 46 Ų | 46 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | trans | 72.9 | 29.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L705 | G679-L705 VanDerWaalsContact O-CB 3.23Å; G679-L705 WeakPolarHBondContact O-CB 3.17Å; G679-L705 PolarHBondContact O-N 2.9Å | ||
| 680 | L | 92.4 | Very high | 93 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 146.6 | 176.7 | -62.9 | -180 | 0 | 0 | 0 | 111.9 | L615 V620 F645 G674 L675 V678 E703 | L615-L680 HydrophobicContact CD2-CD1 4.48Å; V620-L680 HydrophobicContact CG1-CD2 3.71Å; F645-L680 HydrophobicContact CE1-CD1 3.95Å; F645-L680 HydrophobicContact CZ-CD1 4.2Å; G674-L680 WeakPolarHBondContact CA-O 3.46Å; L675-L680 PolarHBondContact N-O 2.88Å; V678-L680 HydrophobicContact CB-CG 4.35Å; V678-L680 HydrophobicContact CG1-CB 4.42Å; V678-L680 HydrophobicContact CG1-CD1 3.68Å; V678-L680 HydrophobicContact CG1-CG 3.8Å; L680-E703 CarbonylContact C-O 3.55Å; L680-E703 WeakPolarHBondContact CA-O 3.31Å |
| 681 | V | 93.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 130.7 | 173.3 | -177.8 | 0 | 0 | 0 | 0 | 109 | V673 E703 L705 P711 | V673-V681 CarbonylContact O-C 3.58Å; V673-V681 WeakPolarHBondContact O-CA 3.44Å; V681-E703 PolarHBondContact N-O 3.34Å; V681-E703 PolarHBondContact O-N 3.07Å; V681-L705 HydrophobicContact CG2-CB 4.04Å; V681-L705 HydrophobicContact CG2-CD1 3.45Å; V681-L705 VanDerWaalsContact CG2-CD1 3.45Å; V681-L705 HydrophobicContact CG2-CG 4.35Å; V681-P711 HydrophobicContact CG1-CB 4.42Å; V681-P711 HydrophobicContact CG1-CG 4.27Å; V681-P711 HydrophobicContact CG2-CG 4.11Å |
| 682 | L | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 135.8 | -179.1 | -51.8 | -175.8 | 0 | 0 | 0 | 110.9 | V613 L615 I649 F667 S672 V673 L675 V700 S701 A702 | V613-L682 HydrophobicContact CG1-CD1 4.39Å; L615-L682 HydrophobicContact CD2-CD2 3.56Å; L615-L682 HydrophobicContact CG-CD2 4.38Å; I649-L682 HydrophobicContact CD1-CD1 4.44Å; F667-L682 HydrophobicContact CZ-CB 4.5Å; S672-L682 WeakPolarHBondContact CA-O 3.42Å; S672-L682 WeakPolarHBondContact CB-O 3.5Å; V673-L682 HydrophobicContact CG1-CB 4.08Å; V673-L682 HydrophobicContact CG1-CD1 4.29Å; V673-L682 HydrophobicContact CG1-CG 4.42Å; V673-L682 PolarHBondContact N-O 2.94Å; V673-L682 VanDerWaalsContact N-O 3.14Å; V673-L682 PolarHBondContact O-N 3.13Å; L675-L682 HydrophobicContact CD1-CD1 4.16Å; L675-L682 HydrophobicContact CD1-CD2 4.14Å; L675-L682 HydrophobicContact CD1-CG 4.34Å; L675-L682 HydrophobicContact CD2-CD1 3.73Å; L675-L682 HydrophobicContact CD2-CG 4.34Å; L675-L682 HydrophobicContact CG-CD1 3.96Å; L675-L682 HydrophobicContact CG-CD2 4.37Å; L675-L682 HydrophobicContact CG-CG 4.07Å; L682-V700 HydrophobicContact CB-CB 4.41Å; L682-V700 HydrophobicContact CB-CG2 4.35Å; L682-V700 HydrophobicContact CD1-CG2 4.3Å; L682-V700 HydrophobicContact CD2-CG2 4.03Å; L682-V700 HydrophobicContact CG-CG2 4.46Å; L682-S701 WeakPolarHBondContact CA-O 3.45Å; L682-A702 HydrophobicContact CD2-CB 4.22Å |
| 683 | K | 93.1 | Very high | 92.9 | Very high | 82 Ų | 82 | 52.1 Ų | 52.1 | 36% | 0.357 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 137.5 | 168.4 | -64.6 | 174.6 | -175.3 | 166.2 | 0 | 109.5 | M685 V700 S701 E703 | K683-M685 PolarHBondContact O-N 2.52Å; K683-V700 CarbonylContact O-C 3.56Å; K683-V700 WeakPolarHBondContact O-CA 2.99Å; K683-V700 VanDerWaalsContact O-CB 3.25Å; K683-V700 WeakPolarHBondContact O-CB 3.44Å; K683-S701 PolarHBondContact N-O 3.04Å; K683-S701 PolarHBondContact O-N 3.33Å; K683-E703 WeakPolarHBondContact CE-OE1 3.37Å; K683-E703 VanDerWaalsContact CE-OE2 3.31Å; K683-E703 WeakPolarHBondContact CE-OE2 3.46Å; K683-E703 IonicContact NZ-OE1 2.83Å; K683-E703 PolarHBondContact NZ-OE1 2.83Å; K683-E703 IonicContact NZ-OE2 2.63Å; K683-E703 PolarHBondContact NZ-OE2 2.96Å |
| 684 | L | 94.2 | Very high | 92.6 | Very high | 40 Ų | 40 | 59 Ų | 59 | 21% | 0.209 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 129.6 | 179.8 | -173.8 | 69.9 | 0 | 0 | 0 | 109.9 | F656 F667 A669 A687 L698 V700 | F656-L684 HydrophobicContact CE2-CD1 4.2Å; F656-L684 HydrophobicContact CE2-CD2 3.97Å; F656-L684 HydrophobicContact CZ-CD1 4.45Å; F656-L684 HydrophobicContact CZ-CD2 3.96Å; F667-L684 HydrophobicContact CE1-CD1 4.36Å; F667-L684 HydrophobicContact CE2-CB 3.94Å; F667-L684 HydrophobicContact CZ-CB 3.73Å; F667-L684 HydrophobicContact CZ-CD1 4.08Å; A669-L684 HydrophobicContact CB-CD2 3.86Å; L684-A687 HydrophobicContact CD1-CB 4.45Å; L684-A687 HydrophobicContact CD2-CB 4.4Å; L684-L698 HydrophobicContact CD1-CB 4.17Å; L684-L698 HydrophobicContact CD1-CD2 3.88Å; L684-L698 HydrophobicContact CD1-CG 4.47Å; L684-V700 HydrophobicContact CD1-CG1 4.39Å |
| 685 | M | 92.9 | Very high | 92.5 | Very high | 121 Ų | 121 | 60.3 Ų | 60.3 | 60% | 0.596 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -48.8 | 168 | -61.9 | -178.2 | 75.9 | 0 | 0 | 110.4 | T616 K683 V699 | T616-M685 PolarHBondContact OG1-SD 2.74Å; K683-M685 PolarHBondContact O-N 2.52Å; M685-V699 WeakPolarHBondContact CB-O 3.46Å; M685-V699 PolarHBondContact N-O 3.13Å |
| 686 | E | 93.2 | Very high | 92.5 | Very high | 107 Ų | 107 | 64.5 Ų | 64.5 | 50% | 0.5 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 138.4 | -176.8 | -167.2 | -171 | 172.9 | 0 | 0 | 110.5 | V699 | E686-V699 HydrophobicContact CB-CB 4.09Å; E686-V699 HydrophobicContact CB-CG2 4.41Å; E686-V699 PolarHBondContact N-O 3.34Å; E686-V699 PolarHBondContact O-N 3.12Å |
| 687 | A | 93.9 | Very high | 92.7 | Very high | 25 Ų | 25 | 63.8 Ų | 63.8 | 21% | 0.207 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 106.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | F656 L684 V695 L698 | F656-A687 HydrophobicContact CZ-CB 4.29Å; L684-A687 HydrophobicContact CD1-CB 4.45Å; L684-A687 HydrophobicContact CD2-CB 4.4Å; A687-V695 HydrophobicContact CB-CG1 4.19Å; A687-L698 HydrophobicContact CB-CD2 3.8Å |
| 688 | K | 94 | Very high | 92.9 | Very high | 76 Ų | 76 | 60.3 Ų | 60.3 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 132.8 | 178.7 | -62.1 | -176.6 | -170.5 | 167.4 | 0 | 110.3 | V695 I696 E697 | K688-V695 WeakPolarHBondContact O-CA 3.13Å; K688-I696 WeakPolarHBondContact O-CG1 3.47Å; K688-I696 PolarHBondContact O-N 3.28Å; K688-E697 HydrophobicContact CB-CB 4.24Å; K688-E697 HydrophobicContact CD-CB 4.36Å; K688-E697 HydrophobicContact CD-CG 4.43Å; K688-E697 VanDerWaalsContact CD-OE2 3.32Å; K688-E697 WeakPolarHBondContact CD-OE2 3.36Å; K688-E697 PolarHBondContact N-O 2.96Å; K688-E697 IonicContact NZ-OE2 2.75Å; K688-E697 PolarHBondContact NZ-OE2 3.47Å; K688-E697 PolarHBondContact O-N 3.15Å |
| 689 | K | 93.9 | Very high | 93.1 | Very high | 96 Ų | 96 | 60.1 Ų | 60.1 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 149.9 | -176.7 | -63.8 | 178.9 | -179.4 | -173.6 | 0 | 111.2 | E658 K694 V695 | E658-K689 WeakPolarHBondContact OE1-CE 3.45Å; E658-K689 IonicContact OE1-NZ 3.3Å; E658-K689 PolarHBondContact OE1-NZ 2.75Å; E658-K689 IonicContact OE2-NZ 2.79Å; E658-K689 PolarHBondContact OE2-NZ 3.38Å; K689-K694 CarbonylContact C-O 3.27Å; K689-K694 VanDerWaalsContact CA-O 3.27Å; K689-K694 WeakPolarHBondContact CA-O 3.18Å; K689-V695 HydrophobicContact CG-CG2 4.04Å |
| 690 | D | 92.2 | Very high | 93.2 | Very high | 55 Ų | 55 | 58.8 Ų | 58.8 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | trans | -78.4 | 179.8 | 166.9 | 67.5 | 15.9 | 0 | 0 | 0 | 111.9 | L692 G693 K694 I696 | D690-L692 PolarHBondContact O-N 3.47Å; D690-L692 VanDerWaalsContact O-N 3.13Å; D690-L692 WeakPolarHBondContact OD1-CA 3.32Å; D690-L692 WeakPolarHBondContact OD1-CB 3.28Å; D690-L692 PolarHBondContact OD1-N 2.88Å; D690-G693 PolarHBondContact O-N 3.24Å; D690-G693 PolarHBondContact OD1-N 3.41Å; D690-G693 VanDerWaalsContact OD1-N 3.07Å; D690-K694 PolarHBondContact N-O 3.41Å; D690-K694 PolarHBondContact OD1-N 3.47Å; D690-I696 HydrophobicContact CB-CD1 4.48Å; D690-I696 HydrophobicContact CB-CG2 3.9Å | ||
| 691 | A | 91.4 | Very high | 93.3 | Very high | 113 Ų | 113 | 60 Ų | 60 | 93% | 0.934 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -16.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 692 | L | 90.7 | Very high | 93.2 | Very high | 163 Ų | 163 | 60.1 Ų | 60.1 | 85% | 0.853 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 2.6 | 177.6 | -61.2 | 175.4 | 0 | 0 | 0 | 112.2 | D690 K694 | D690-L692 PolarHBondContact O-N 3.47Å; D690-L692 VanDerWaalsContact O-N 3.13Å; D690-L692 WeakPolarHBondContact OD1-CA 3.32Å; D690-L692 WeakPolarHBondContact OD1-CB 3.28Å; D690-L692 PolarHBondContact OD1-N 2.88Å; L692-K694 VanDerWaalsContact C-N 3.28Å; L692-K694 PolarHBondContact O-N 2.72Å |
| 693 | G | 88.3 | Confident | 93.1 | Very high | 42 Ų | 42 | 62.9 Ų | 62.9 | 43% | 0.433 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 78.7 | 7.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D690 | D690-G693 PolarHBondContact O-N 3.24Å; D690-G693 PolarHBondContact OD1-N 3.41Å; D690-G693 VanDerWaalsContact OD1-N 3.07Å |
| 694 | K | 90.2 | Very high | 92.9 | Very high | 146 Ų | 146 | 66 Ų | 66 | 64% | 0.635 | 35% | 0.354 | S | S | * | . | trans | -79.8 | 134.5 | 175.7 | -175.9 | -178.3 | 178 | -177.1 | 0 | 109.4 | K689 D690 L692 I696 | K689-K694 CarbonylContact C-O 3.27Å; K689-K694 VanDerWaalsContact CA-O 3.27Å; K689-K694 WeakPolarHBondContact CA-O 3.18Å; D690-K694 PolarHBondContact N-O 3.41Å; D690-K694 PolarHBondContact OD1-N 3.47Å; L692-K694 VanDerWaalsContact C-N 3.28Å; L692-K694 PolarHBondContact O-N 2.72Å; K694-I696 PolarHBondContact O-N 3.04Å | ||
| 695 | V | 92.7 | Very high | 92.8 | Very high | 26 Ų | 26 | 66.5 Ų | 66.5 | 16% | 0.158 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 124.2 | 179 | -177 | 0 | 0 | 0 | 0 | 109.7 | L611 F656 A687 K688 K689 L698 | L611-V695 HydrophobicContact CD1-CG1 4.27Å; L611-V695 WeakPolarHBondContact CD1-O 3.22Å; F656-V695 HydrophobicContact CD1-CG1 4.38Å; F656-V695 HydrophobicContact CE1-CB 4.48Å; F656-V695 HydrophobicContact CE1-CG1 4.11Å; F656-V695 HydrophobicContact CE1-CG2 4.14Å; A687-V695 HydrophobicContact CB-CG1 4.19Å; K688-V695 WeakPolarHBondContact O-CA 3.13Å; K689-V695 HydrophobicContact CG-CG2 4.04Å; V695-L698 HydrophobicContact CG1-CD2 3.46Å; V695-L698 VanDerWaalsContact CG1-CD2 3.46Å; V695-L698 HydrophobicContact CG1-CG 4.36Å |
| 696 | I | 94.4 | Very high | 92.6 | Very high | 89 Ų | 89 | 63.4 Ų | 63.4 | 46% | 0.456 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | -27.1 | -176.1 | 56.9 | 169.9 | 0 | 0 | 0 | 113.1 | K688 D690 K694 | K688-I696 WeakPolarHBondContact O-CG1 3.47Å; K688-I696 PolarHBondContact O-N 3.28Å; D690-I696 HydrophobicContact CB-CD1 4.48Å; D690-I696 HydrophobicContact CB-CG2 3.9Å; K694-I696 PolarHBondContact O-N 3.04Å |
| 697 | E | 96.7 | Very high | 92.3 | Very high | 27 Ų | 27 | 64.9 Ų | 64.9 | 13% | 0.126 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 135.9 | 179.3 | 176.6 | 175.4 | -137.7 | 0 | 0 | 110 | K612 T614 K688 | K612-E697 HydrophobicContact CB-CB 4.43Å; K612-E697 HydrophobicContact CD-CB 4.48Å; K612-E697 HydrophobicContact CD-CG 4.16Å; K612-E697 VanDerWaalsContact CE-OE1 3.28Å; K612-E697 WeakPolarHBondContact CE-OE1 3.41Å; K612-E697 HydrophobicContact CG-CG 4.39Å; K612-E697 IonicContact NZ-OE1 3.41Å; K612-E697 PolarHBondContact NZ-OE1 2.76Å; K612-E697 CarbonylContact O-C 3.6Å; K612-E697 WeakPolarHBondContact O-CA 3.37Å; T614-E697 PolarHBondContact OG1-OE1 2.98Å; K688-E697 HydrophobicContact CB-CB 4.24Å; K688-E697 HydrophobicContact CD-CB 4.36Å; K688-E697 HydrophobicContact CD-CG 4.43Å; K688-E697 VanDerWaalsContact CD-OE2 3.32Å; K688-E697 WeakPolarHBondContact CD-OE2 3.36Å; K688-E697 PolarHBondContact N-O 2.96Å; K688-E697 IonicContact NZ-OE2 2.75Å; K688-E697 PolarHBondContact NZ-OE2 3.47Å; K688-E697 PolarHBondContact O-N 3.15Å |
| 698 | L | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127 | 170.1 | -55.7 | 179.3 | 0 | 0 | 0 | 109.2 | L611 K612 V613 T614 I651 F656 F667 L684 A687 V695 V700 | L611-L698 HydrophobicContact CD2-CD1 3.77Å; L611-L698 HydrophobicContact CD2-CG 4.05Å; L611-L698 HydrophobicContact CG-CD1 4.47Å; L611-L698 HydrophobicContact CG-CG 4.41Å; K612-L698 PolarHBondContact O-N 3.37Å; V613-L698 CarbonylContact C-O 3.5Å; V613-L698 WeakPolarHBondContact CA-O 3.38Å; V613-L698 HydrophobicContact CG1-CB 4.4Å; V613-L698 HydrophobicContact CG2-CB 4.22Å; V613-L698 HydrophobicContact CG2-CD1 4.24Å; T614-L698 PolarHBondContact N-O 3.3Å; I651-L698 HydrophobicContact CD1-CD1 4.32Å; F656-L698 HydrophobicContact CB-CD1 4.01Å; F656-L698 HydrophobicContact CD1-CD1 4.12Å; F656-L698 HydrophobicContact CD1-CD2 3.98Å; F656-L698 HydrophobicContact CD2-CD1 3.56Å; F656-L698 HydrophobicContact CD2-CD2 4.26Å; F656-L698 HydrophobicContact CE1-CD2 3.7Å; F656-L698 HydrophobicContact CE2-CD1 4.01Å; F656-L698 HydrophobicContact CE2-CD2 3.98Å; F656-L698 HydrophobicContact CG-CD1 3.61Å; F656-L698 HydrophobicContact CG-CD2 4.25Å; F656-L698 HydrophobicContact CZ-CD1 4.48Å; F656-L698 HydrophobicContact CZ-CD2 3.68Å; F667-L698 HydrophobicContact CD1-CD1 3.78Å; F667-L698 HydrophobicContact CE1-CD1 3.59Å; L684-L698 HydrophobicContact CD1-CB 4.17Å; L684-L698 HydrophobicContact CD1-CD2 3.88Å; L684-L698 HydrophobicContact CD1-CG 4.47Å; A687-L698 HydrophobicContact CB-CD2 3.8Å; V695-L698 HydrophobicContact CG1-CD2 3.46Å; V695-L698 VanDerWaalsContact CG1-CD2 3.46Å; V695-L698 HydrophobicContact CG1-CG 4.36Å; L698-V700 HydrophobicContact CB-CG1 4.06Å |
| 699 | V | 95.9 | Very high | 91.8 | Very high | 20 Ų | 20 | 69.6 Ų | 69.6 | 12% | 0.121 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 123 | 167 | -172.5 | 0 | 0 | 0 | 0 | 107.2 | T616 M685 E686 | T616-V699 HydrophobicContact CG2-CG1 3.62Å; M685-V699 WeakPolarHBondContact CB-O 3.46Å; M685-V699 PolarHBondContact N-O 3.13Å; E686-V699 HydrophobicContact CB-CB 4.09Å; E686-V699 HydrophobicContact CB-CG2 4.41Å; E686-V699 PolarHBondContact N-O 3.34Å; E686-V699 PolarHBondContact O-N 3.12Å |
| 700 | V | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 147.9 | -171.3 | -55.7 | 0 | 0 | 0 | 0 | 110.6 | V613 T614 L615 T616 F667 L682 K683 L684 L698 | V613-V700 HydrophobicContact CG1-CB 4.33Å; V613-V700 HydrophobicContact CG1-CG1 3.79Å; V613-V700 HydrophobicContact CG1-CG2 3.51Å; T614-V700 PolarHBondContact O-N 2.83Å; L615-V700 HydrophobicContact CG-CG2 4.12Å; T616-V700 PolarHBondContact N-O 3.24Å; T616-V700 PolarHBondContact OG1-O 3.06Å; F667-V700 HydrophobicContact CE1-CG1 3.67Å; F667-V700 HydrophobicContact CZ-CB 4.49Å; F667-V700 HydrophobicContact CZ-CG1 3.55Å; L682-V700 HydrophobicContact CB-CB 4.41Å; L682-V700 HydrophobicContact CB-CG2 4.35Å; L682-V700 HydrophobicContact CD1-CG2 4.3Å; L682-V700 HydrophobicContact CD2-CG2 4.03Å; L682-V700 HydrophobicContact CG-CG2 4.46Å; K683-V700 CarbonylContact O-C 3.56Å; K683-V700 WeakPolarHBondContact O-CA 2.99Å; K683-V700 VanDerWaalsContact O-CB 3.25Å; K683-V700 WeakPolarHBondContact O-CB 3.44Å; L684-V700 HydrophobicContact CD1-CG1 4.39Å; L698-V700 HydrophobicContact CB-CG1 4.06Å |
| 701 | S | 93 | Very high | 91.6 | Very high | 31 Ų | 31 | 68.3 Ų | 68.3 | 22% | 0.217 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 140.6 | 164.2 | 68.8 | 0 | 0 | 0 | 0 | 109.3 | L682 K683 | L682-S701 WeakPolarHBondContact CA-O 3.45Å; K683-S701 PolarHBondContact N-O 3.04Å; K683-S701 PolarHBondContact O-N 3.33Å |
| 702 | A | 91.9 | Very high | 91.5 | Very high | 4 Ų | 4 | 70.2 Ų | 70.2 | 3% | 0.033 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L615 T616 L682 | L615-A702 HydrophobicContact CB-CB 4.43Å; L615-A702 HydrophobicContact CD2-CB 3.74Å; T616-A702 PolarHBondContact O-N 3.44Å; L682-A702 HydrophobicContact CD2-CB 4.22Å |
| 703 | E | 91.5 | Very high | 91.5 | Very high | 57 Ų | 57 | 63.1 Ų | 63.1 | 27% | 0.266 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 148.1 | 176.1 | -69.4 | 172.3 | -164.3 | 0 | 0 | 109.9 | L680 V681 K683 L705 | L680-E703 CarbonylContact C-O 3.55Å; L680-E703 WeakPolarHBondContact CA-O 3.31Å; V681-E703 PolarHBondContact N-O 3.34Å; V681-E703 PolarHBondContact O-N 3.07Å; K683-E703 WeakPolarHBondContact CE-OE1 3.37Å; K683-E703 VanDerWaalsContact CE-OE2 3.31Å; K683-E703 WeakPolarHBondContact CE-OE2 3.46Å; K683-E703 IonicContact NZ-OE1 2.83Å; K683-E703 PolarHBondContact NZ-OE1 2.83Å; K683-E703 IonicContact NZ-OE2 2.63Å; K683-E703 PolarHBondContact NZ-OE2 2.96Å; E703-L705 PolarHBondContact O-N 3.29Å |
| 704 | K | 90.4 | Very high | 91.8 | Very high | 148 Ų | 148 | 64.5 Ų | 64.5 | 64% | 0.643 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64 | 133.2 | 172.3 | -175.2 | 174.4 | -179.3 | 176.4 | 0 | 109.1 | V620 T706 N709 | V620-K704 HydrophobicContact CG1-CB 4.43Å; V620-K704 HydrophobicContact CG2-CB 4.41Å; K704-T706 PolarHBondContact O-N 3.26Å; K704-N709 PolarHBondContact O-ND2 2.9Å |
| 705 | L | 90.4 | Very high | 92.1 | Very high | 50 Ų | 50 | 57.6 Ų | 57.6 | 26% | 0.262 | 28% | 0.282 | S | S | . | . | trans | -65.8 | 123.3 | 174.7 | 178.8 | 68.2 | 0 | 0 | 0 | 109.9 | G679 V681 E703 K710 F714 | G679-L705 VanDerWaalsContact O-CB 3.23Å; G679-L705 WeakPolarHBondContact O-CB 3.17Å; G679-L705 PolarHBondContact O-N 2.9Å; V681-L705 HydrophobicContact CG2-CB 4.04Å; V681-L705 HydrophobicContact CG2-CD1 3.45Å; V681-L705 VanDerWaalsContact CG2-CD1 3.45Å; V681-L705 HydrophobicContact CG2-CG 4.35Å; E703-L705 PolarHBondContact O-N 3.29Å; L705-K710 HydrophobicContact CD1-CB 4.47Å; L705-K710 HydrophobicContact CD1-CG 4.45Å; L705-F714 HydrophobicContact CD1-CZ 4.23Å; L705-F714 HydrophobicContact CD2-CE1 3.88Å; L705-F714 HydrophobicContact CD2-CZ 3.92Å | ||
| 706 | T | 89.7 | Confident | 92.2 | Very high | 56 Ų | 56 | 56.4 Ų | 56.4 | 34% | 0.344 | 28% | 0.275 | S | S | . | . | trans | -126.3 | 172 | 170.4 | 73.1 | 0 | 0 | 0 | 0 | 108.9 | K704 E708 N709 K710 | K704-T706 PolarHBondContact O-N 3.26Å; T706-E708 WeakPolarHBondContact CB-OE2 3.38Å; T706-E708 PolarHBondContact O-N 3.14Å; T706-E708 PolarHBondContact OG1-N 3.27Å; T706-E708 PolarHBondContact OG1-OE2 3.46Å; T706-N709 PolarHBondContact N-OD1 3.21Å; T706-N709 PolarHBondContact O-OD1 3.49Å; T706-N709 VanDerWaalsContact O-OD1 3.09Å; T706-N709 PolarHBondContact OG1-OD1 3.19Å; T706-K710 PolarHBondContact O-N 2.87Å | ||
| 707 | E | 87.6 | Confident | 92.3 | Very high | 138 Ų | 138 | 52.2 Ų | 52.2 | 65% | 0.645 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -69.1 | -23.6 | 177.9 | -72.9 | -62.5 | 127.1 | 0 | 0 | 112.1 | K710 | E707-K710 VanDerWaalsContact CD-NZ 3.35Å; E707-K710 IonicContact OE1-NZ 2.92Å; E707-K710 PolarHBondContact OE1-NZ 3.37Å; E707-K710 IonicContact OE2-NZ 3.3Å; E707-K710 PolarHBondContact OE2-NZ 3.43Å |
| 708 | E | 88.1 | Confident | 92.3 | Very high | 166 Ų | 166 | 50.9 Ų | 50.9 | 78% | 0.776 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -76.4 | -33.4 | 179 | -56.7 | 75.2 | -160.4 | 0 | 0 | 113.3 | T706 | T706-E708 WeakPolarHBondContact CB-OE2 3.38Å; T706-E708 PolarHBondContact O-N 3.14Å; T706-E708 PolarHBondContact OG1-N 3.27Å; T706-E708 PolarHBondContact OG1-OE2 3.46Å |
| 709 | N | 89.2 | Confident | 92.2 | Very high | 34 Ų | 34 | 51 Ų | 51 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -104 | 13.4 | -177.2 | 75 | 1.2 | 0 | 0 | 0 | 113.7 | K704 T706 P711 | K704-N709 PolarHBondContact O-ND2 2.9Å; T706-N709 PolarHBondContact N-OD1 3.21Å; T706-N709 PolarHBondContact O-OD1 3.49Å; T706-N709 VanDerWaalsContact O-OD1 3.09Å; T706-N709 PolarHBondContact OG1-OD1 3.19Å; N709-P711 WeakPolarHBondContact O-CD 3.37Å |
| 710 | K | 90.3 | Very high | 92 | Very high | 111 Ų | 111 | 55.6 Ų | 55.6 | 48% | 0.483 | 27% | 0.266 | S | S | . | . | trans | -57.2 | 115.8 | -176.1 | -165.8 | 172.6 | -162.9 | 151.1 | 0 | 111.7 | L705 T706 E707 | L705-K710 HydrophobicContact CD1-CB 4.47Å; L705-K710 HydrophobicContact CD1-CG 4.45Å; T706-K710 PolarHBondContact O-N 2.87Å; E707-K710 VanDerWaalsContact CD-NZ 3.35Å; E707-K710 IonicContact OE1-NZ 2.92Å; E707-K710 PolarHBondContact OE1-NZ 3.37Å; E707-K710 IonicContact OE2-NZ 3.3Å; E707-K710 PolarHBondContact OE2-NZ 3.43Å | ||
| 711 | P | 91.2 | Very high | 92 | Very high | 13 Ų | 13 | 57.1 Ų | 57.1 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | trans | -76.5 | 162.2 | -176.6 | 29 | -31.4 | 0 | 0 | 0 | 111.4 | V681 N709 G713 F714 | V681-P711 HydrophobicContact CG1-CB 4.42Å; V681-P711 HydrophobicContact CG1-CG 4.27Å; V681-P711 HydrophobicContact CG2-CG 4.11Å; N709-P711 WeakPolarHBondContact O-CD 3.37Å; P711-G713 PolarHBondContact O-N 2.96Å; P711-F714 HydrophobicContact CG-CE2 4.37Å; P711-F714 HydrophobicContact CG-CZ 4.16Å | ||
| 712 | K | 88.3 | Confident | 91.9 | Very high | 154 Ų | 154 | 61.9 Ų | 61.9 | 67% | 0.67 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -71.2 | -14.8 | 179.2 | -66.1 | -177.3 | -171.4 | 163 | 0 | 114.2 | K665 | K665-K712 HydrophobicContact CB-CB 4.33Š|
| 713 | G | 91.1 | Very high | 92 | Very high | 14 Ų | 14 | 69 Ų | 69 | 14% | 0.144 | 32% | 0.319 | C | S | . | . | trans | -153.5 | 150.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K665 V673 G674 P711 | K665-G713 WeakPolarHBondContact O-CA 3.24Å; K665-G713 PolarHBondContact O-N 2.9Å; V673-G713 WeakPolarHBondContact CG2-O 3.32Å; G674-G713 PolarHBondContact N-O 3.08Å; P711-G713 PolarHBondContact O-N 2.96Å | ||
| 714 | F | 94.8 | Very high | 92.2 | Very high | 70 Ų | 70 | 66.4 Ų | 66.4 | 31% | 0.307 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 134.1 | 175.2 | -71.3 | -97.5 | 0 | 0 | 0 | 109.5 | G674 K676 L705 P711 | G674-F714 CarbonylContact O-C 3.57Å; G674-F714 VanDerWaalsContact O-CA 3.23Å; G674-F714 WeakPolarHBondContact O-CA 3.46Å; K676-F714 HydrophobicContact CG-CB 3.99Å; L705-F714 HydrophobicContact CD1-CZ 4.23Å; L705-F714 HydrophobicContact CD2-CE1 3.88Å; L705-F714 HydrophobicContact CD2-CZ 3.92Å; P711-F714 HydrophobicContact CG-CE2 4.37Å; P711-F714 HydrophobicContact CG-CZ 4.16Å |
| 715 | I | 96 | Very high | 92.5 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 152.8 | -179.3 | 63.3 | 175 | 0 | 0 | 0 | 111.1 | I651 D655 R666 V673 G674 L675 K676 | I651-I715 HydrophobicContact CB-CD1 4.15Å; I651-I715 HydrophobicContact CD1-CD1 3.97Å; I651-I715 HydrophobicContact CG2-CD1 3.84Å; D655-I715 HydrophobicContact CB-CD1 4.37Å; D655-I715 HydrophobicContact CB-CG2 4.08Å; R666-I715 HydrophobicContact CG-CG2 4.46Å; V673-I715 HydrophobicContact CB-CD1 4.49Å; V673-I715 HydrophobicContact CG1-CD1 3.76Å; V673-I715 HydrophobicContact CG1-CG1 4.23Å; V673-I715 HydrophobicContact CG2-CB 4.25Å; V673-I715 HydrophobicContact CG2-CD1 3.93Å; V673-I715 HydrophobicContact CG2-CG1 3.79Å; V673-I715 HydrophobicContact CG2-CG2 3.6Å; G674-I715 PolarHBondContact O-N 3.21Å; L675-I715 HydrophobicContact CD2-CD1 4.47Å; L675-I715 HydrophobicContact CD2-CG1 4.06Å; K676-I715 PolarHBondContact N-O 2.94Å |
| 716 | H | 95.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.009 | 27% | 0.272 | C | S | . | . | trans | -83.7 | 162 | 171.7 | 66 | -76 | 0 | 0 | 0 | 109.9 | M605 V606 E652 E782 R783 | M605-H716 HydrophobicContact SD-CB 3.69Å; V606-H716 PolarHBondContact O-CD2 2.76Å; V606-H716 PolarHBondContact O-NE2 2.89Å; E652-H716 WeakPolarHBondContact CG-CE1 3.28Å; E652-H716 WeakPolarHBondContact CG-NE2 3.26Å; E652-H716 IonicContact OE1-CE1 2.78Å; E652-H716 IonicContact OE1-NE2 3.48Å; E652-H716 PolarHBondContact OE1-NE2 2.96Å; H716-E782 HydrophobicContact CB-CB 4.09Å; H716-E782 HydrophobicContact CB-CG 3.88Å; H716-E782 PolarHBondContact ND1-O 3.47Å; H716-R783 PolarHBondContact ND1-NH1 2.7Å | ||
| 717 | W | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -155.2 | 158.6 | -171.3 | 54.7 | -91.2 | 0 | 0 | 0 | 109.3 | M605 V626 V643 Q644 F645 I649 Y650 I651 L675 K676 V678 A719 | M605-W717 WeakPolarHBondContact CB-O 3.33Å; V626-W717 HydrophobicContact CB-CH2 4.17Å; V626-W717 HydrophobicContact CB-CZ2 4.08Å; V626-W717 HydrophobicContact CG1-CZ2 4.35Å; V626-W717 HydrophobicContact CG2-CH2 4.08Å; V626-W717 HydrophobicContact CG2-CZ2 3.96Å; V643-W717 HydrophobicContact CB-CH2 4.39Å; V643-W717 HydrophobicContact CG1-CH2 3.85Å; V643-W717 HydrophobicContact CG1-CZ3 3.9Å; Q644-W717 WeakPolarHBondContact O-CZ3 3.28Å; F645-W717 HydrophobicContact CB-CH2 4.23Å; F645-W717 HydrophobicContact CB-CZ3 4.46Å; F645-W717 HydrophobicContact CD2-CD2 4.04Å; F645-W717 AromaticContact CD2-CE3 3.61Å; F645-W717 HydrophobicContact CD2-CE3 3.61Å; F645-W717 AromaticContact CD2-CH2 3.38Å; F645-W717 HydrophobicContact CD2-CH2 3.38Å; F645-W717 AromaticContact CD2-CZ2 3.78Å; F645-W717 HydrophobicContact CD2-CZ2 3.78Å; F645-W717 AromaticContact CD2-CZ3 3.32Å; F645-W717 HydrophobicContact CD2-CZ3 3.32Å; F645-W717 AromaticContact CE2-CD2 3.79Å; F645-W717 HydrophobicContact CE2-CD2 3.79Å; F645-W717 AromaticContact CE2-CE2 3.94Å; F645-W717 AromaticContact CE2-CE3 3.75Å; F645-W717 HydrophobicContact CE2-CE3 3.75Å; F645-W717 HydrophobicContact CE2-CH2 4.07Å; F645-W717 HydrophobicContact CE2-CZ2 4.06Å; F645-W717 AromaticContact CE2-CZ3 3.95Å; F645-W717 HydrophobicContact CE2-CZ3 3.95Å; F645-W717 HydrophobicContact CG-CH2 4.22Å; F645-W717 HydrophobicContact CG-CZ3 4.36Å; I649-W717 HydrophobicContact CD1-CB 4.09Å; Y650-W717 CarbonylContact O-C 3.57Å; Y650-W717 VanDerWaalsContact O-CA 3.22Å; Y650-W717 WeakPolarHBondContact O-CA 3.26Å; I651-W717 HydrophobicContact CG2-CB 4.27Å; L675-W717 HydrophobicContact CD2-CB 4.25Å; L675-W717 HydrophobicContact CD2-CG 4.23Å; K676-W717 PolarHBondContact O-NE1 2.89Å; V678-W717 HydrophobicContact CG2-CD2 4.4Å; V678-W717 HydrophobicContact CG2-CZ2 3.4Å; W717-A719 HydrophobicContact CE3-CB 4.45Å; W717-A719 HydrophobicContact CZ3-CB 4.24Å | ||
| 718 | V | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 134.1 | 170 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | M605 V607 I649 Y650 P721 | M605-V718 HydrophobicContact CB-CG2 4.04Å; M605-V718 VanDerWaalsContact O-CG2 3.24Å; M605-V718 WeakPolarHBondContact O-CG2 3.31Å; V607-V718 HydrophobicContact CB-CG2 4.42Å; V607-V718 HydrophobicContact CG2-CB 4.28Å; V607-V718 HydrophobicContact CG2-CG2 3.78Å; I649-V718 CarbonylContact C-O 3.6Å; I649-V718 WeakPolarHBondContact CA-O 3.33Å; Y650-V718 PolarHBondContact N-O 2.97Å; Y650-V718 PolarHBondContact O-N 2.98Å; V718-P721 HydrophobicContact CG1-CB 3.63Å |
| 719 | A | 94.1 | Very high | 94 | Very high | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.017 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 151.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q644 F645 I649 W717 P721 | Q644-A719 WeakPolarHBondContact O-CB 3.41Å; F645-A719 HydrophobicContact CD2-CB 4.44Å; I649-A719 HydrophobicContact CG2-CB 3.97Å; W717-A719 HydrophobicContact CE3-CB 4.45Å; W717-A719 HydrophobicContact CZ3-CB 4.24Å; A719-P721 VanDerWaalsContact C-N 3.31Å |
| 720 | K | 91.7 | Very high | 94.1 | Very high | 116 Ų | 116 | 44.1 Ų | 44.1 | 50% | 0.504 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 45.3 | 51.2 | -176.4 | -57.1 | 176.9 | -172.6 | 166.1 | 0 | 112.5 | Q644 | Q644-K720 HydrophobicContact CB-CD 4.31Š|
| 721 | P | 93.2 | Very high | 94.3 | Very high | 32 Ų | 32 | 41.1 Ų | 41.1 | 21% | 0.208 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 154.1 | -168.5 | 29.6 | -37.1 | 0 | 0 | 0 | 113 | Y650 V718 A719 F764 | Y650-P721 HydrophobicContact CD2-CG 3.69Å; Y650-P721 HydrophobicContact CE2-CG 3.65Å; V718-P721 HydrophobicContact CG1-CB 3.63Å; A719-P721 VanDerWaalsContact C-N 3.31Å; P721-F764 HydrophobicContact CB-CB 3.48Å; P721-F764 VanDerWaalsContact CB-CB 3.48Å; P721-F764 HydrophobicContact CB-CD1 4.03Å; P721-F764 HydrophobicContact CB-CD2 3.78Å; P721-F764 HydrophobicContact CB-CG 3.48Å; P721-F764 VanDerWaalsContact CB-CG 3.48Å; P721-F764 HydrophobicContact CG-CB 4.17Å; P721-F764 HydrophobicContact CG-CD1 4.15Å; P721-F764 HydrophobicContact CG-CD2 3.45Å; P721-F764 VanDerWaalsContact CG-CD2 3.45Å; P721-F764 HydrophobicContact CG-CE1 4.45Å; P721-F764 HydrophobicContact CG-CE2 3.79Å; P721-F764 HydrophobicContact CG-CG 3.66Å; P721-F764 HydrophobicContact CG-CZ 4.29Å |
| 722 | R | 91.1 | Very high | 94.4 | Very high | 131 Ų | 131 | 40.6 Ų | 40.6 | 49% | 0.494 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 152.6 | 159.6 | -67.6 | -65.9 | -162.4 | -165.8 | -4.1 | 110.3 | F764 I765 E770 | R722-F764 WeakPolarHBondContact O-CA 3.04Å; R722-I765 HydrophobicContact CB-CD1 4.35Å; R722-I765 HydrophobicContact CB-CG1 3.92Å; R722-I765 PolarHBondContact N-O 2.9Å; R722-I765 VanDerWaalsContact N-O 3.11Å; R722-I765 PolarHBondContact O-N 3.32Å; R722-E770 WeakPolarHBondContact CG-OE2 3.36Å; R722-E770 IonicContact CZ-OE2 3.36Å; R722-E770 IonicContact NE-OE1 2.76Å; R722-E770 IonicContact NE-OE2 2.71Å; R722-E770 PolarHBondContact NE-OE2 3.02Å; R722-E770 IonicContact NH2-OE2 3.93Å |
| 723 | K | 94.4 | Very high | 94.7 | Very high | 153 Ų | 153 | 33.3 Ų | 33.3 | 67% | 0.665 | 15% | 0.151 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 138 | 177.2 | -69.4 | -174.6 | -178 | -179.7 | 0 | 110.4 | V763 F764 | K723-V763 CarbonylContact C-O 3.51Å; K723-V763 VanDerWaalsContact CA-O 3.32Å; K723-V763 WeakPolarHBondContact CA-O 3.43Å; K723-F764 HydrophobicContact CD-CE1 4.44Å; K723-F764 HydrophobicContact CG-CD1 4.12Å; K723-F764 HydrophobicContact CG-CE1 3.8Å |
| 724 | C | 95 | Very high | 94.8 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.027 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 170.2 | 170.6 | 76.2 | 0 | 0 | 0 | 0 | 111.5 | V763 I765 L798 F800 | C724-V763 PolarHBondContact N-O 3.48Å; C724-V763 PolarHBondContact O-N 2.59Å; C724-I765 HydrophobicContact CB-CD1 4.13Å; C724-I765 HydrophobicContact CB-CG1 4.48Å; C724-I765 HydrophobicContact CB-CG2 4.32Å; C724-I765 WeakPolarHBondContact SG-CG2 3.37Å; C724-L798 HydrophobicContact CB-CB 4.27Å; C724-L798 WeakPolarHBondContact CB-O 3.35Å; C724-F800 HydrophobicContact CB-CD2 4.43Å; C724-F800 HydrophobicContact CB-CE2 4.38Å |
| 725 | E | 96.8 | Very high | 94.7 | Very high | 34 Ų | 34 | 38.3 Ų | 38.3 | 16% | 0.159 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 134.4 | 169.4 | -174.8 | -177.4 | 132 | 0 | 0 | 109.8 | R727 V759 L760 L798 V799 F800 | E725-R727 IonicContact OE1-CZ 2.79Å; E725-R727 IonicContact OE1-NE 3.44Å; E725-R727 PolarHBondContact OE1-NE 2.88Å; E725-R727 IonicContact OE1-NH2 3.64Å; E725-R727 PolarHBondContact OE1-NH2 3.02Å; E725-V759 HydrophobicContact CG-CG1 3.73Å; E725-L760 CarbonylContact C-O 3.53Å; E725-L760 VanDerWaalsContact CA-O 3.29Å; E725-L760 WeakPolarHBondContact CA-O 3.31Å; E725-L798 PolarHBondContact N-O 3.25Å; E725-V799 HydrophobicContact CB-CG1 4.31Å; E725-V799 HydrophobicContact CB-CG2 4.17Å; E725-V799 HydrophobicContact CG-CG1 4.34Å; E725-V799 CarbonylContact O-C 3.58Å; E725-V799 WeakPolarHBondContact O-CA 3.44Å; E725-F800 PolarHBondContact O-N 2.69Å |
| 726 | V | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 132.4 | 170 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | L608 L728 L760 V763 F781 F787 F800 | L608-V726 HydrophobicContact CD2-CB 4.19Å; L608-V726 HydrophobicContact CD2-CG1 3.99Å; L608-V726 HydrophobicContact CD2-CG2 3.96Å; V726-L728 HydrophobicContact CG1-CD2 3.76Å; V726-L728 HydrophobicContact CG1-CG 4.49Å; V726-L760 PolarHBondContact N-O 3.32Å; V726-L760 PolarHBondContact O-N 3.28Å; V726-V763 HydrophobicContact CB-CG2 3.76Å; V726-V763 HydrophobicContact CG2-CB 3.78Å; V726-V763 HydrophobicContact CG2-CG1 3.64Å; V726-V763 HydrophobicContact CG2-CG2 3.56Å; V726-F781 HydrophobicContact CG2-CE2 4.25Å; V726-F787 HydrophobicContact CG1-CD1 3.95Å; V726-F787 HydrophobicContact CG1-CE1 3.51Å; V726-F800 CarbonylContact C-O 3.48Å; V726-F800 WeakPolarHBondContact CA-O 3.35Å; V726-F800 HydrophobicContact CG2-CB 4.24Å |
| 727 | R | 97.8 | Very high | 94.3 | Very high | 8 Ų | 8 | 46.5 Ų | 46.5 | 3% | 0.03 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119.8 | 177.8 | -60.7 | 176.2 | -178.6 | 159.4 | 2.8 | 110.1 | R544 E725 Y729 L757 V759 D790 D792 F800 N801 R802 | R544-R727 VanDerWaalsContact NH1-NH1 3.13Å; E725-R727 IonicContact OE1-CZ 2.79Å; E725-R727 IonicContact OE1-NE 3.44Å; E725-R727 PolarHBondContact OE1-NE 2.88Å; E725-R727 IonicContact OE1-NH2 3.64Å; E725-R727 PolarHBondContact OE1-NH2 3.02Å; R727-Y729 HydrophobicContact CB-CE1 4.4Å; R727-Y729 HydrophobicContact CB-CE2 3.94Å; R727-Y729 WeakPolarHBondContact CB-OH 3.45Å; R727-Y729 VanDerWaalsContact CD-OH 3.31Å; R727-Y729 WeakPolarHBondContact CD-OH 3.31Å; R727-L757 HydrophobicContact CB-CD1 4.08Å; R727-V759 HydrophobicContact CG-CG1 4.5Å; R727-V759 HydrophobicContact CG-CG2 4.45Å; R727-D790 IonicContact NH1-OD1 3.83Å; R727-D790 PolarHBondContact NH1-OD1 3.34Å; R727-D790 IonicContact NH1-OD2 3.19Å; R727-D792 IonicContact CZ-OD2 3.86Å; R727-D792 VanDerWaalsContact CZ-OD2 3.27Å; R727-D792 IonicContact NH1-OD2 3.84Å; R727-D792 PolarHBondContact NH1-OD2 2.81Å; R727-D792 IonicContact NH2-OD2 3.9Å; R727-D792 PolarHBondContact NH2-OD2 3.39Å; R727-F800 PolarHBondContact N-O 3.12Å; R727-N801 WeakPolarHBondContact CD-OD1 3.41Å; R727-R802 PolarHBondContact O-N 3.37Å |
| 728 | L | 96.5 | Very high | 94 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 125.7 | 177.9 | -51.9 | -178.1 | 0 | 0 | 0 | 109.3 | L608 V726 L757 E758 L760 F787 R802 | L608-L728 HydrophobicContact CD1-CD1 4.38Å; L608-L728 HydrophobicContact CD1-CD2 4.24Å; V726-L728 HydrophobicContact CG1-CD2 3.76Å; V726-L728 HydrophobicContact CG1-CG 4.49Å; L728-L757 WeakPolarHBondContact O-CA 3.4Å; L728-E758 HydrophobicContact CB-CB 4.29Å; L728-E758 PolarHBondContact N-O 3.3Å; L728-E758 PolarHBondContact O-N 3.07Å; L728-L760 HydrophobicContact CD1-CD1 3.89Å; L728-L760 HydrophobicContact CG-CD1 4.35Å; L728-F787 HydrophobicContact CD2-CE1 3.89Å; L728-F787 HydrophobicContact CD2-CZ 4.27Å; L728-R802 HydrophobicContact CD2-CB 3.94Å |
| 729 | Y | 94.8 | Very high | 93.5 | Very high | 12 Ų | 12 | 51.3 Ų | 51.3 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 138.4 | -176.4 | -57.2 | -75.1 | 0 | 0 | 0 | 112.1 | P549 R550 R727 S756 L757 N801 R802 | P549-Y729 HydrophobicContact CB-CD1 4.14Å; P549-Y729 HydrophobicContact CB-CD2 4.13Å; P549-Y729 HydrophobicContact CB-CE1 3.73Å; P549-Y729 HydrophobicContact CB-CE2 3.77Å; P549-Y729 HydrophobicContact CB-CG 4.31Å; P549-Y729 HydrophobicContact CG-CE1 4.05Å; P549-Y729 HydrophobicContact CG-CE2 4.17Å; P549-Y729 WeakPolarHBondContact CG-OH 3.5Å; R550-Y729 HydrophobicContact CG-CD1 3.6Å; R550-Y729 HydrophobicContact CG-CE1 4.39Å; R550-Y729 HydrophobicContact CG-CG 4.37Å; R727-Y729 HydrophobicContact CB-CE1 4.4Å; R727-Y729 HydrophobicContact CB-CE2 3.94Å; R727-Y729 WeakPolarHBondContact CB-OH 3.45Å; R727-Y729 VanDerWaalsContact CD-OH 3.31Å; R727-Y729 WeakPolarHBondContact CD-OH 3.31Å; Y729-S756 CarbonylContact C-O 3.59Å; Y729-S756 WeakPolarHBondContact CA-O 3.36Å; Y729-L757 HydrophobicContact CD1-CD1 3.87Å; Y729-L757 HydrophobicContact CE1-CD1 3.56Å; Y729-N801 HydrophobicContact CE2-CB 3.74Å; Y729-N801 PolarHBondContact OH-OD1 3.03Å; Y729-R802 WeakPolarHBondContact CD2-O 3.46Å; Y729-R802 PolarHBondContact O-NH2 2.79Å |
| 730 | D | 92.7 | Very high | 93.3 | Very high | 58 Ų | 58 | 54.1 Ų | 54.1 | 31% | 0.31 | 25% | 0.248 | S | C | . | . | trans | -117.8 | 176.2 | 167.1 | -142.3 | -29 | 0 | 0 | 0 | 111 | L732 S756 K812 | D730-L732 PolarHBondContact O-N 3.37Å; D730-S756 PolarHBondContact N-O 3.19Å; D730-K812 IonicContact OD1-NZ 3.51Å; D730-K812 PolarHBondContact OD1-NZ 2.97Å; D730-K812 WeakPolarHBondContact OD2-CE 3.37Å; D730-K812 IonicContact OD2-NZ 2.7Å; D730-K812 PolarHBondContact OD2-NZ 2.96Å | ||
| 731 | R | 93.3 | Very high | 93 | Very high | 48 Ų | 48 | 52.6 Ų | 52.6 | 18% | 0.181 | 25% | 0.252 | C | S | . | . | trans | -55.5 | 130.7 | 174.3 | -68 | -178.3 | 176.1 | 155 | 2.1 | 110 | Y526 D585 F733 N753 S756 K812 N813 | Y526-R731 VanDerWaalsContact CZ-NH1 3.34Å; Y526-R731 PolarHBondContact OH-NH1 3.26Å; D585-R731 IonicContact OD1-NH2 3.15Å; D585-R731 IonicContact OD2-NH2 3.03Å; R731-F733 VanDerWaalsContact C-N 3.31Å; R731-N753 WeakPolarHBondContact O-CB 3.37Å; R731-N753 PolarHBondContact O-ND2 3.15Å; R731-S756 WeakPolarHBondContact O-CB 3.28Å; R731-K812 PolarHBondContact NH1-O 2.74Å; R731-N813 PolarHBondContact NH2-OD1 2.99Å | ||
| 732 | L | 94.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -70 | -30.2 | 178.6 | -176.5 | 59.7 | 0 | 0 | 0 | 112.3 | L537 I543 R550 L551 D730 V752 N753 | L537-L732 HydrophobicContact CD1-CD2 4.21Å; I543-L732 HydrophobicContact CG2-CD1 3.97Å; I543-L732 HydrophobicContact CG2-CD2 3.95Å; R550-L732 HydrophobicContact CB-CB 4.24Å; L551-L732 HydrophobicContact CD2-CD2 3.96Å; D730-L732 PolarHBondContact O-N 3.37Å; L732-V752 HydrophobicContact CD1-CG1 3.92Å; L732-V752 CarbonylContact O-C 3.58Å; L732-V752 WeakPolarHBondContact O-CA 3.28Å; L732-N753 PolarHBondContact O-N 3.35Å |
| 733 | F | 95.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -119.1 | 144 | -178.3 | -65.8 | -75.5 | 0 | 0 | 0 | 110.1 | Y526 V528 L537 R731 P738 F748 D751 V752 | Y526-F733 WeakPolarHBondContact O-CD2 3.34Å; V528-F733 HydrophobicContact CB-CE2 4.38Å; V528-F733 HydrophobicContact CB-CZ 4.42Å; V528-F733 HydrophobicContact CG1-CE2 3.92Å; V528-F733 HydrophobicContact CG1-CZ 3.79Å; V528-F733 HydrophobicContact CG2-CE2 3.89Å; V528-F733 HydrophobicContact CG2-CZ 3.79Å; L537-F733 HydrophobicContact CD1-CZ 4.07Å; L537-F733 HydrophobicContact CD2-CZ 4.36Å; R731-F733 VanDerWaalsContact C-N 3.31Å; F733-P738 HydrophobicContact CB-CB 4.03Å; F733-P738 HydrophobicContact CB-CG 4.17Å; F733-P738 HydrophobicContact CD1-CB 3.62Å; F733-P738 HydrophobicContact CD1-CG 4.15Å; F733-P738 HydrophobicContact CD2-CB 4.44Å; F733-P738 HydrophobicContact CD2-CG 4.08Å; F733-P738 HydrophobicContact CE1-CB 4.18Å; F733-P738 HydrophobicContact CG-CB 3.77Å; F733-P738 HydrophobicContact CG-CG 3.86Å; F733-F748 HydrophobicContact CE1-CB 4.42Å; F733-F748 HydrophobicContact CE1-CD2 4.03Å; F733-F748 WeakPolarHBondContact CE1-O 3.43Å; F733-F748 HydrophobicContact CZ-CD2 4.17Å; F733-D751 WeakPolarHBondContact CA-O 3.28Å; F733-D751 WeakPolarHBondContact CB-OD2 3.22Å; F733-D751 HydrophobicContact CD1-CB 4.17Å; F733-V752 HydrophobicContact CD1-CG2 4.14Å; F733-V752 HydrophobicContact CE1-CG2 3.64Å; F733-V752 HydrophobicContact CZ-CG2 4.4Å |
| 734 | H | 92.6 | Very high | 92.4 | Very high | 109 Ų | 109 | 45.2 Ų | 45.2 | 51% | 0.505 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -76.2 | -38.8 | 176.9 | -64.8 | -71.9 | 0 | 0 | 0 | 111.8 | D751 N753 | H734-D751 WeakPolarHBondContact CB-OD1 3.36Å; H734-D751 PolarHBondContact CD2-O 3.05Å; H734-D751 PolarHBondContact N-O 3.2Å; H734-D751 VanDerWaalsContact N-O 3.12Å; H734-D751 PolarHBondContact N-OD2 3.39Å; H734-N753 WeakPolarHBondContact NE2-CA 3.37Å |
| 735 | H | 93.3 | Very high | 91.9 | Very high | 80 Ų | 80 | 50 Ų | 50 | 37% | 0.37 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -92.6 | 154.9 | -175.4 | -67.9 | 83.9 | 0 | 0 | 0 | 112.9 | Y526 E743 V744 D751 | Y526-H735 VanDerWaalsContact CD1-C 3.49Å; Y526-H735 WeakPolarHBondContact CD1-O 3.24Å; H735-E743 HydrophobicContact CB-CB 4.39Å; H735-V744 HydrophobicContact CB-CG2 3.99Å; H735-D751 IonicContact CE1-OD1 2.79Å; H735-D751 IonicContact CG-OD1 3.33Å; H735-D751 PolarHBondContact N-OD1 3.15Å; H735-D751 PolarHBondContact N-OD2 3.25Å; H735-D751 IonicContact ND1-OD1 2.72Å; H735-D751 PolarHBondContact ND1-OD1 3.26Å; H735-D751 IonicContact ND1-OD2 3.87Å |
| 736 | K | 91.5 | Very high | 91.4 | Very high | 111 Ų | 111 | 53.8 Ų | 53.8 | 48% | 0.483 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -64.7 | -43.2 | 179 | -77.9 | 177.9 | -179.8 | 178.8 | 0 | 111.1 | S525 Y526 P738 E743 | S525-K736 CarbonylContact C-O 3.56Å; S525-K736 WeakPolarHBondContact CA-O 3.17Å; S525-K736 WeakPolarHBondContact CB-O 3.25Å; Y526-K736 HydrophobicContact CE1-CB 4.39Å; Y526-K736 HydrophobicContact CE1-CG 3.71Å; Y526-K736 HydrophobicContact CE2-CG 3.82Å; Y526-K736 PolarHBondContact N-O 3.3Å; Y526-K736 WeakPolarHBondContact OH-CE 3.3Å; Y526-K736 VanDerWaalsContact OH-CG 3.25Å; Y526-K736 WeakPolarHBondContact OH-CG 3.28Å; K736-P738 VanDerWaalsContact O-CD 3.32Å; K736-P738 WeakPolarHBondContact O-CD 3.34Å; K736-E743 PolarHBondContact N-OE2 3.36Å |
| 737 | N | 91.5 | Very high | 91 | Very high | 65 Ų | 65 | 55.2 Ų | 55.2 | 35% | 0.348 | 30% | 0.3 | S | S | . | . | trans | -117.5 | 79.2 | 179.7 | -55.7 | -64.3 | 0 | 0 | 0 | 109.2 | E739 D740 E743 | N737-E739 PolarHBondContact O-N 2.73Å; N737-D740 HydrophobicContact CB-CB 3.84Å; N737-D740 WeakPolarHBondContact O-CB 3.35Å; N737-D740 PolarHBondContact O-N 2.72Å; N737-E743 PolarHBondContact N-OE2 3.46Å; N737-E743 VanDerWaalsContact N-OE2 3.09Å; N737-E743 PolarHBondContact ND2-OE1 2.87Å | ||
| 738 | P | 89.8 | Confident | 90.6 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.019 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -16.4 | -176.5 | 26.2 | -35.7 | 0 | 0 | 0 | 113.2 | V528 F733 K736 F748 | V528-P738 HydrophobicContact CG1-CG 3.98Å; F733-P738 HydrophobicContact CB-CB 4.03Å; F733-P738 HydrophobicContact CB-CG 4.17Å; F733-P738 HydrophobicContact CD1-CB 3.62Å; F733-P738 HydrophobicContact CD1-CG 4.15Å; F733-P738 HydrophobicContact CD2-CB 4.44Å; F733-P738 HydrophobicContact CD2-CG 4.08Å; F733-P738 HydrophobicContact CE1-CB 4.18Å; F733-P738 HydrophobicContact CG-CB 3.77Å; F733-P738 HydrophobicContact CG-CG 3.86Å; K736-P738 VanDerWaalsContact O-CD 3.32Å; K736-P738 WeakPolarHBondContact O-CD 3.34Å; P738-F748 HydrophobicContact CB-CB 4.19Å; P738-F748 VanDerWaalsContact O-CA 3.22Å; P738-F748 WeakPolarHBondContact O-CA 3.25Å; P738-F748 WeakPolarHBondContact O-CB 3.16Å; P738-F748 PolarHBondContact O-N 3.16Å |
| 739 | E | 87.2 | Confident | 90.4 | Very high | 97 Ų | 97 | 56.9 Ų | 56.9 | 45% | 0.453 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -13.2 | 177.3 | -54.9 | -175 | 33.1 | 0 | 0 | 113.5 | V528 K533 N737 S741 | V528-E739 HydrophobicContact CG1-CG 3.92Å; K533-E739 HydrophobicContact CD-CG 4.29Å; K533-E739 IonicContact NZ-OE1 2.69Å; K533-E739 PolarHBondContact NZ-OE1 3.17Å; K533-E739 IonicContact NZ-OE2 3.76Å; N737-E739 PolarHBondContact O-N 2.73Å; E739-S741 PolarHBondContact O-N 3.15Å |
| 740 | D | 88.1 | Confident | 90.2 | Very high | 62 Ų | 62 | 59.7 Ų | 59.7 | 33% | 0.332 | 33% | 0.33 | S | S | . | . | trans | -79.6 | 116.6 | -179.8 | -168.9 | -23.6 | 0 | 0 | 0 | 110.1 | N737 S742 E743 V744 | N737-D740 HydrophobicContact CB-CB 3.84Å; N737-D740 WeakPolarHBondContact O-CB 3.35Å; N737-D740 PolarHBondContact O-N 2.72Å; D740-S742 PolarHBondContact O-N 2.89Å; D740-S742 VanDerWaalsContact O-N 3.12Å; D740-S742 WeakPolarHBondContact OD1-CB 3.5Å; D740-S742 PolarHBondContact OD1-N 3.46Å; D740-S742 PolarHBondContact OD1-OG 3.42Å; D740-S742 PolarHBondContact OD2-OG 3.25Å; D740-S742 VanDerWaalsContact OD2-OG 3.12Å; D740-E743 HydrophobicContact CB-CB 4.4Å; D740-E743 HydrophobicContact CB-CG 4.44Å; D740-E743 PolarHBondContact O-N 3.33Å; D740-E743 VanDerWaalsContact O-N 3.13Å; D740-V744 PolarHBondContact O-N 3.38Å | ||
| 741 | S | 87.2 | Confident | 90.2 | Very high | 84 Ų | 84 | 57.2 Ų | 57.2 | 59% | 0.587 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -19.5 | 176.5 | 58.3 | 0 | 0 | 0 | 0 | 114.5 | E739 P745 | E739-S741 PolarHBondContact O-N 3.15Å; S741-P745 WeakPolarHBondContact O-CA 3.28Å |
| 742 | S | 89.4 | Confident | 90.3 | Very high | 93 Ų | 93 | 55.7 Ų | 55.7 | 65% | 0.65 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -33.5 | 176.2 | 69.9 | 0 | 0 | 0 | 0 | 112.9 | D740 | D740-S742 PolarHBondContact O-N 2.89Å; D740-S742 VanDerWaalsContact O-N 3.12Å; D740-S742 WeakPolarHBondContact OD1-CB 3.5Å; D740-S742 PolarHBondContact OD1-N 3.46Å; D740-S742 PolarHBondContact OD1-OG 3.42Å; D740-S742 PolarHBondContact OD2-OG 3.25Å; D740-S742 VanDerWaalsContact OD2-OG 3.12Å |
| 743 | E | 86.8 | Confident | 90.3 | Very high | 62 Ų | 62 | 56.4 Ų | 56.4 | 29% | 0.29 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -40.9 | 172.7 | -68 | -175.5 | -148.8 | 0 | 0 | 110.8 | H735 K736 N737 D740 P745 | H735-E743 HydrophobicContact CB-CB 4.39Å; K736-E743 PolarHBondContact N-OE2 3.36Å; N737-E743 PolarHBondContact N-OE2 3.46Å; N737-E743 VanDerWaalsContact N-OE2 3.09Å; N737-E743 PolarHBondContact ND2-OE1 2.87Å; D740-E743 HydrophobicContact CB-CB 4.4Å; D740-E743 HydrophobicContact CB-CG 4.44Å; D740-E743 PolarHBondContact O-N 3.33Å; D740-E743 VanDerWaalsContact O-N 3.13Å; E743-P745 WeakPolarHBondContact O-CD 3.33Å |
| 744 | V | 89 | Confident | 90 | Very high | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.03 | 36% | 0.355 | C | S | . | . | trans | -127.1 | 81 | -174.3 | -168.6 | 0 | 0 | 0 | 0 | 110.9 | H735 D740 N746 G747 S750 D751 | H735-V744 HydrophobicContact CB-CG2 3.99Å; D740-V744 PolarHBondContact O-N 3.38Å; V744-N746 VanDerWaalsContact C-N 3.26Å; V744-N746 PolarHBondContact O-N 3.16Å; V744-G747 VanDerWaalsContact CG1-C 3.43Å; V744-G747 WeakPolarHBondContact CG1-O 3.43Å; V744-G747 PolarHBondContact O-N 3.26Å; V744-S750 WeakPolarHBondContact CG1-OG 3.31Å; V744-D751 HydrophobicContact CG1-CB 3.8Å; V744-D751 HydrophobicContact CG2-CB 3.95Å | ||
| 745 | P | 85.1 | Confident | 90 | Very high | 104 Ų | 104 | 66 Ų | 66 | 68% | 0.675 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -28.6 | -175.2 | 23.3 | -33.6 | 0 | 0 | 0 | 113.8 | S741 E743 G747 | S741-P745 WeakPolarHBondContact O-CA 3.28Å; E743-P745 WeakPolarHBondContact O-CD 3.33Å; P745-G747 PolarHBondContact O-N 3.47Å |
| 746 | N | 86.8 | Confident | 90 | Very high | 114 Ų | 114 | 62.1 Ų | 62.1 | 61% | 0.61 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 6.6 | 177.2 | -62 | -30.2 | 0 | 0 | 0 | 112.7 | V744 S750 | V744-N746 VanDerWaalsContact C-N 3.26Å; V744-N746 PolarHBondContact O-N 3.16Å; N746-S750 VanDerWaalsContact CB-OG 3.31Å; N746-S750 WeakPolarHBondContact CB-OG 3.48Å |
| 747 | G | 87.7 | Confident | 90.2 | Very high | 30 Ų | 30 | 59.1 Ų | 59.1 | 31% | 0.309 | 34% | 0.337 | S | S | . | . | trans | 78.5 | 159.8 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | V744 P745 L749 S750 | V744-G747 VanDerWaalsContact CG1-C 3.43Å; V744-G747 WeakPolarHBondContact CG1-O 3.43Å; V744-G747 PolarHBondContact O-N 3.26Å; P745-G747 PolarHBondContact O-N 3.47Å; G747-L749 PolarHBondContact O-N 3.44Å; G747-S750 WeakPolarHBondContact O-CB 3.48Å; G747-S750 PolarHBondContact O-N 3.2Å; G747-S750 PolarHBondContact O-OG 3.26Å | ||
| 748 | F | 90.2 | Very high | 90.4 | Very high | 20 Ų | 20 | 60 Ų | 60 | 9% | 0.088 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -52.4 | -26.3 | -170 | 78.2 | -83.1 | 0 | 0 | 0 | 116.2 | V528 K533 K536 L537 F733 P738 S750 D751 | V528-F748 HydrophobicContact CG1-CD2 4.22Å; K533-F748 HydrophobicContact CB-CE1 4.38Å; K533-F748 HydrophobicContact CB-CE2 3.99Å; K533-F748 HydrophobicContact CB-CZ 3.76Å; K533-F748 HydrophobicContact CD-CD1 4.45Å; K533-F748 HydrophobicContact CD-CE1 4.26Å; K533-F748 HydrophobicContact CD-CZ 4.44Å; K533-F748 HydrophobicContact CG-CE1 3.95Å; K533-F748 HydrophobicContact CG-CE2 4.42Å; K533-F748 HydrophobicContact CG-CZ 3.84Å; K536-F748 HydrophobicContact CB-CZ 4.23Å; K536-F748 HydrophobicContact CD-CE1 4.34Å; K536-F748 HydrophobicContact CD-CZ 4.02Å; L537-F748 HydrophobicContact CD2-CD2 4.48Å; L537-F748 HydrophobicContact CD2-CE2 4.07Å; L537-F748 HydrophobicContact CG-CE2 4.13Å; F733-F748 HydrophobicContact CE1-CB 4.42Å; F733-F748 HydrophobicContact CE1-CD2 4.03Å; F733-F748 WeakPolarHBondContact CE1-O 3.43Å; F733-F748 HydrophobicContact CZ-CD2 4.17Å; P738-F748 HydrophobicContact CB-CB 4.19Å; P738-F748 VanDerWaalsContact O-CA 3.22Å; P738-F748 WeakPolarHBondContact O-CA 3.25Å; P738-F748 WeakPolarHBondContact O-CB 3.16Å; P738-F748 PolarHBondContact O-N 3.16Å; F748-S750 VanDerWaalsContact C-N 3.29Å; F748-S750 PolarHBondContact O-N 3.06Å; F748-D751 PolarHBondContact O-N 3.26Å |
| 749 | L | 91.2 | Very high | 90.8 | Very high | 35 Ų | 35 | 62.6 Ų | 62.6 | 18% | 0.183 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -68.7 | -29.5 | 178.8 | -65.4 | 171.6 | 0 | 0 | 0 | 112.6 | K536 L537 L542 G747 D751 | K536-L749 HydrophobicContact CB-CD2 4.33Å; L537-L749 HydrophobicContact CD2-CD2 3.69Å; L537-L749 HydrophobicContact CG-CD2 4.41Å; L542-L749 HydrophobicContact CD1-CD2 4.3Å; G747-L749 PolarHBondContact O-N 3.44Å; L749-D751 PolarHBondContact O-N 3.05Å |
| 750 | S | 91.5 | Very high | 91.2 | Very high | 70 Ų | 70 | 59 Ų | 59 | 49% | 0.49 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -75.4 | -11.8 | 175 | 67.9 | 0 | 0 | 0 | 0 | 113.5 | V744 N746 G747 F748 | V744-S750 WeakPolarHBondContact CG1-OG 3.31Å; N746-S750 VanDerWaalsContact CB-OG 3.31Å; N746-S750 WeakPolarHBondContact CB-OG 3.48Å; G747-S750 WeakPolarHBondContact O-CB 3.48Å; G747-S750 PolarHBondContact O-N 3.2Å; G747-S750 PolarHBondContact O-OG 3.26Å; F748-S750 VanDerWaalsContact C-N 3.29Å; F748-S750 PolarHBondContact O-N 3.06Å |
| 751 | D | 93.3 | Very high | 91.3 | Very high | 6 Ų | 6 | 61.7 Ų | 61.7 | 3% | 0.032 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -96.2 | 2.3 | -177.3 | -166.9 | 45.4 | 0 | 0 | 0 | 113.5 | F733 H734 H735 V744 F748 L749 N753 | F733-D751 WeakPolarHBondContact CA-O 3.28Å; F733-D751 WeakPolarHBondContact CB-OD2 3.22Å; F733-D751 HydrophobicContact CD1-CB 4.17Å; H734-D751 WeakPolarHBondContact CB-OD1 3.36Å; H734-D751 PolarHBondContact CD2-O 3.05Å; H734-D751 PolarHBondContact N-O 3.2Å; H734-D751 VanDerWaalsContact N-O 3.12Å; H734-D751 PolarHBondContact N-OD2 3.39Å; H735-D751 IonicContact CE1-OD1 2.79Å; H735-D751 IonicContact CG-OD1 3.33Å; H735-D751 PolarHBondContact N-OD1 3.15Å; H735-D751 PolarHBondContact N-OD2 3.25Å; H735-D751 IonicContact ND1-OD1 2.72Å; H735-D751 PolarHBondContact ND1-OD1 3.26Å; H735-D751 IonicContact ND1-OD2 3.87Å; V744-D751 HydrophobicContact CG1-CB 3.8Å; V744-D751 HydrophobicContact CG2-CB 3.95Å; F748-D751 PolarHBondContact O-N 3.26Å; L749-D751 PolarHBondContact O-N 3.05Å; D751-N753 PolarHBondContact O-N 3.29Å |
| 752 | V | 94.1 | Very high | 91.4 | Very high | 16 Ų | 16 | 59.2 Ų | 59.2 | 10% | 0.097 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -72.7 | 124.6 | -176.7 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | L537 L542 L732 F733 E754 | L537-V752 HydrophobicContact CD2-CG2 3.81Å; L542-V752 HydrophobicContact CB-CG1 4.41Å; L542-V752 HydrophobicContact CD1-CB 4.4Å; L542-V752 HydrophobicContact CD1-CG1 4.41Å; L542-V752 HydrophobicContact CD1-CG2 4.08Å; L542-V752 HydrophobicContact CD2-CG1 4.45Å; L732-V752 HydrophobicContact CD1-CG1 3.92Å; L732-V752 CarbonylContact O-C 3.58Å; L732-V752 WeakPolarHBondContact O-CA 3.28Å; F733-V752 HydrophobicContact CD1-CG2 4.14Å; F733-V752 HydrophobicContact CE1-CG2 3.64Å; F733-V752 HydrophobicContact CZ-CG2 4.4Å; V752-E754 PolarHBondContact O-N 3.25Å |
| 753 | N | 94 | Very high | 91.7 | Very high | 18 Ų | 18 | 54.8 Ų | 54.8 | 10% | 0.096 | 31% | 0.31 | C | S | . | . | trans | -75.4 | 107.8 | 173.9 | 176.9 | 14.3 | 0 | 0 | 0 | 110.5 | R731 L732 H734 D751 N755 S756 | R731-N753 WeakPolarHBondContact O-CB 3.37Å; R731-N753 PolarHBondContact O-ND2 3.15Å; L732-N753 PolarHBondContact O-N 3.35Å; H734-N753 WeakPolarHBondContact NE2-CA 3.37Å; D751-N753 PolarHBondContact O-N 3.29Å; N753-N755 PolarHBondContact O-N 3.34Å; N753-N755 PolarHBondContact OD1-N 3.17Å; N753-S756 WeakPolarHBondContact O-CB 3.36Å; N753-S756 PolarHBondContact O-N 2.9Å; N753-S756 VanDerWaalsContact O-N 3.12Å; N753-S756 PolarHBondContact O-OG 2.81Å | ||
| 754 | E | 90.8 | Very high | 92.2 | Very high | 173 Ų | 173 | 53.1 Ų | 53.1 | 81% | 0.808 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -63.7 | -27.9 | 178.2 | -61.9 | -174.3 | 166 | 0 | 0 | 112.8 | V752 S756 | V752-E754 PolarHBondContact O-N 3.25Å; E754-S756 VanDerWaalsContact C-N 3.26Å; E754-S756 PolarHBondContact O-N 2.94Å |
| 755 | N | 91.7 | Very high | 92.5 | Very high | 137 Ų | 137 | 53 Ų | 53 | 73% | 0.733 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -87.9 | 14.2 | 177.5 | -59.6 | -55.3 | 0 | 0 | 0 | 112.9 | N753 L757 | N753-N755 PolarHBondContact O-N 3.34Å; N753-N755 PolarHBondContact OD1-N 3.17Å; N755-L757 PolarHBondContact O-N 2.91Å |
| 756 | S | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -70.2 | -10.3 | -177.8 | 57.3 | 0 | 0 | 0 | 0 | 114.6 | R550 Y729 D730 R731 N753 E754 | R550-S756 WeakPolarHBondContact CD-OG 3.47Å; R550-S756 PolarHBondContact NH1-OG 3.45Å; Y729-S756 CarbonylContact C-O 3.59Å; Y729-S756 WeakPolarHBondContact CA-O 3.36Å; D730-S756 PolarHBondContact N-O 3.19Å; R731-S756 WeakPolarHBondContact O-CB 3.28Å; N753-S756 WeakPolarHBondContact O-CB 3.36Å; N753-S756 PolarHBondContact O-N 2.9Å; N753-S756 VanDerWaalsContact O-N 3.12Å; N753-S756 PolarHBondContact O-OG 2.81Å; E754-S756 VanDerWaalsContact C-N 3.26Å; E754-S756 PolarHBondContact O-N 2.94Å |
| 757 | L | 95.6 | Very high | 93 | Very high | 47 Ų | 47 | 45.1 Ų | 45.1 | 25% | 0.246 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 118 | 176.7 | 173 | 57.9 | 0 | 0 | 0 | 110.1 | R727 L728 Y729 N755 V759 | R727-L757 HydrophobicContact CB-CD1 4.08Å; L728-L757 WeakPolarHBondContact O-CA 3.4Å; Y729-L757 HydrophobicContact CD1-CD1 3.87Å; Y729-L757 HydrophobicContact CE1-CD1 3.56Å; N755-L757 PolarHBondContact O-N 2.91Å; L757-V759 HydrophobicContact CD1-CG2 4.09Å; L757-V759 HydrophobicContact CD2-CG2 4.3Å; L757-V759 HydrophobicContact CG-CG2 4Å |
| 758 | E | 96.3 | Very high | 93.1 | Very high | 84 Ų | 84 | 44.5 Ų | 44.5 | 39% | 0.393 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.3 | 168.9 | -176.1 | -174.8 | -174.3 | 0 | 0 | 108.9 | R609 L728 L760 | R609-E758 IonicContact CZ-OE1 2.75Å; R609-E758 VanDerWaalsContact NH2-CD 3.31Å; R609-E758 IonicContact NH2-OE1 3.56Å; R609-E758 PolarHBondContact NH2-OE1 3.21Å; R609-E758 IonicContact NH2-OE2 3.62Å; R609-E758 PolarHBondContact NH2-OE2 3.48Å; R609-E758 VanDerWaalsContact NH2-OE2 3.15Å; L728-E758 HydrophobicContact CB-CB 4.29Å; L728-E758 PolarHBondContact N-O 3.3Å; L728-E758 PolarHBondContact O-N 3.07Å; E758-L760 HydrophobicContact CG-CD2 4.1Å |
| 759 | V | 96.7 | Very high | 93.1 | Very high | 58 Ų | 58 | 43.5 Ų | 43.5 | 35% | 0.352 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.4 | 178.4 | -174 | 0 | 0 | 0 | 0 | 109.3 | E725 R727 L757 | E725-V759 HydrophobicContact CG-CG1 3.73Å; R727-V759 HydrophobicContact CG-CG1 4.5Å; R727-V759 HydrophobicContact CG-CG2 4.45Å; L757-V759 HydrophobicContact CD1-CG2 4.09Å; L757-V759 HydrophobicContact CD2-CG2 4.3Å; L757-V759 HydrophobicContact CG-CG2 4Å |
| 760 | L | 96.4 | Very high | 92.8 | Very high | 22 Ų | 22 | 46.2 Ų | 46.2 | 12% | 0.115 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 108.9 | -179.7 | -58.7 | 179.3 | 0 | 0 | 0 | 110 | L608 E725 V726 L728 E758 V763 | L608-L760 HydrophobicContact CB-CD1 4.04Å; L608-L760 HydrophobicContact CD1-CD1 4.44Å; E725-L760 CarbonylContact C-O 3.53Å; E725-L760 VanDerWaalsContact CA-O 3.29Å; E725-L760 WeakPolarHBondContact CA-O 3.31Å; V726-L760 PolarHBondContact N-O 3.32Å; V726-L760 PolarHBondContact O-N 3.28Å; L728-L760 HydrophobicContact CD1-CD1 3.89Å; L728-L760 HydrophobicContact CG-CD1 4.35Å; E758-L760 HydrophobicContact CG-CD2 4.1Å; L760-V763 HydrophobicContact CB-CG2 3.62Å; L760-V763 HydrophobicContact CD1-CG2 4.23Å |
| 761 | N | 90.8 | Very high | 92.4 | Very high | 117 Ų | 117 | 52 Ų | 52 | 63% | 0.626 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 12.9 | -177.3 | -66.5 | -50 | 0 | 0 | 0 | 114.5 | ||
| 762 | G | 89.3 | Confident | 92.2 | Very high | 33 Ų | 33 | 55.5 Ų | 55.5 | 34% | 0.34 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 26.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 763 | V | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 139 | -179.6 | 175.1 | 0 | 0 | 0 | 0 | 109.8 | V606 V607 L608 K723 C724 V726 L760 I765 | V606-V763 HydrophobicContact CG1-CG1 3.46Å; V606-V763 VanDerWaalsContact CG1-CG1 3.46Å; V607-V763 WeakPolarHBondContact O-CG1 3.23Å; L608-V763 HydrophobicContact CD2-CG1 3.77Å; L608-V763 HydrophobicContact CD2-CG2 4.03Å; K723-V763 CarbonylContact C-O 3.51Å; K723-V763 VanDerWaalsContact CA-O 3.32Å; K723-V763 WeakPolarHBondContact CA-O 3.43Å; C724-V763 PolarHBondContact N-O 3.48Å; C724-V763 PolarHBondContact O-N 2.59Å; V726-V763 HydrophobicContact CB-CG2 3.76Å; V726-V763 HydrophobicContact CG2-CB 3.78Å; V726-V763 HydrophobicContact CG2-CG1 3.64Å; V726-V763 HydrophobicContact CG2-CG2 3.56Å; L760-V763 HydrophobicContact CB-CG2 3.62Å; L760-V763 HydrophobicContact CD1-CG2 4.23Å; V763-I765 HydrophobicContact CG1-CG2 4.47Å |
| 764 | F | 96.5 | Very high | 92 | Very high | 27 Ų | 27 | 62 Ų | 62 | 12% | 0.118 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 116.4 | 179.4 | -76.7 | -1.6 | 0 | 0 | 0 | 110.5 | V606 V607 P610 Y650 P721 R722 K723 | V606-F764 CarbonylContact C-O 3.6Å; V606-F764 WeakPolarHBondContact CA-O 3.29Å; V607-F764 HydrophobicContact CB-CB 4.41Å; V607-F764 PolarHBondContact N-O 3.43Å; V607-F764 PolarHBondContact O-N 3.49Å; P610-F764 HydrophobicContact CB-CD2 3.35Å; P610-F764 HydrophobicContact CB-CE2 3.56Å; P610-F764 HydrophobicContact CB-CG 4.03Å; P610-F764 HydrophobicContact CB-CZ 4.38Å; P610-F764 HydrophobicContact CG-CD1 4.37Å; P610-F764 HydrophobicContact CG-CD2 3.74Å; P610-F764 HydrophobicContact CG-CE1 4.35Å; P610-F764 HydrophobicContact CG-CE2 3.74Å; P610-F764 HydrophobicContact CG-CG 4.07Å; P610-F764 HydrophobicContact CG-CZ 4.06Å; Y650-F764 AromaticContact CD1-CD2 3.85Å; Y650-F764 HydrophobicContact CD1-CD2 3.85Å; Y650-F764 AromaticContact CD1-CE2 3.51Å; Y650-F764 HydrophobicContact CD1-CE2 3.51Å; Y650-F764 AromaticContact CD2-CD2 3.81Å; Y650-F764 HydrophobicContact CD2-CD2 3.81Å; Y650-F764 AromaticContact CD2-CE2 3.93Å; Y650-F764 HydrophobicContact CD2-CE2 3.93Å; Y650-F764 HydrophobicContact CE1-CD2 4.33Å; Y650-F764 AromaticContact CE1-CE2 3.58Å; Y650-F764 HydrophobicContact CE1-CE2 3.58Å; Y650-F764 HydrophobicContact CE2-CD2 4.31Å; Y650-F764 HydrophobicContact CE2-CE2 4.01Å; Y650-F764 AromaticContact CG-CD2 3.55Å; Y650-F764 HydrophobicContact CG-CD2 3.55Å; Y650-F764 AromaticContact CG-CE2 3.67Å; Y650-F764 HydrophobicContact CG-CE2 3.67Å; Y650-F764 AromaticContact CZ-CE2 3.83Å; P721-F764 HydrophobicContact CB-CB 3.48Å; P721-F764 VanDerWaalsContact CB-CB 3.48Å; P721-F764 HydrophobicContact CB-CD1 4.03Å; P721-F764 HydrophobicContact CB-CD2 3.78Å; P721-F764 HydrophobicContact CB-CG 3.48Å; P721-F764 VanDerWaalsContact CB-CG 3.48Å; P721-F764 HydrophobicContact CG-CB 4.17Å; P721-F764 HydrophobicContact CG-CD1 4.15Å; P721-F764 HydrophobicContact CG-CD2 3.45Å; P721-F764 VanDerWaalsContact CG-CD2 3.45Å; P721-F764 HydrophobicContact CG-CE1 4.45Å; P721-F764 HydrophobicContact CG-CE2 3.79Å; P721-F764 HydrophobicContact CG-CG 3.66Å; P721-F764 HydrophobicContact CG-CZ 4.29Å; R722-F764 WeakPolarHBondContact O-CA 3.04Å; K723-F764 HydrophobicContact CD-CE1 4.44Å; K723-F764 HydrophobicContact CG-CD1 4.12Å; K723-F764 HydrophobicContact CG-CE1 3.8Å |
| 765 | I | 95.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 152 | 175.7 | 57.6 | 171.8 | 0 | 0 | 0 | 110.3 | V606 R722 C724 V763 L769 L798 F800 | V606-I765 HydrophobicContact CB-CG2 4.32Å; V606-I765 HydrophobicContact CG1-CG2 3.69Å; V606-I765 HydrophobicContact CG2-CB 4.33Å; V606-I765 HydrophobicContact CG2-CG2 3.8Å; R722-I765 HydrophobicContact CB-CD1 4.35Å; R722-I765 HydrophobicContact CB-CG1 3.92Å; R722-I765 PolarHBondContact N-O 2.9Å; R722-I765 VanDerWaalsContact N-O 3.11Å; R722-I765 PolarHBondContact O-N 3.32Å; C724-I765 HydrophobicContact CB-CD1 4.13Å; C724-I765 HydrophobicContact CB-CG1 4.48Å; C724-I765 HydrophobicContact CB-CG2 4.32Å; C724-I765 WeakPolarHBondContact SG-CG2 3.37Å; V763-I765 HydrophobicContact CG1-CG2 4.47Å; I765-L769 HydrophobicContact CB-CD1 4.03Å; I765-L769 HydrophobicContact CD1-CB 4.24Å; I765-L769 HydrophobicContact CG2-CD1 4.14Å; I765-L798 HydrophobicContact CD1-CD1 3.9Å; I765-F800 HydrophobicContact CG2-CE2 4.48Å |
| 766 | D | 92.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | trans | -62.1 | 151.2 | 165.2 | 70.8 | 69.6 | 0 | 0 | 0 | 111.6 | H604 M605 V643 S768 L769 | H604-D766 WeakPolarHBondContact CB-OD2 3.41Å; H604-D766 IonicContact CG-OD2 2.69Å; H604-D766 IonicContact ND1-OD1 3.83Å; H604-D766 IonicContact ND1-OD2 3.95Å; H604-D766 PolarHBondContact ND1-OD2 3.37Å; M605-D766 HydrophobicContact CB-CB 4.21Å; M605-D766 PolarHBondContact N-OD2 3.35Å; M605-D766 PolarHBondContact O-N 2.98Å; V643-D766 HydrophobicContact CG1-CB 3.88Å; V643-D766 HydrophobicContact CG2-CB 4.39Å; D766-S768 PolarHBondContact O-N 2.94Å; D766-S768 WeakPolarHBondContact OD1-CA 3.5Å; D766-S768 VanDerWaalsContact OD1-CB 3.26Å; D766-S768 WeakPolarHBondContact OD1-CB 3.45Å; D766-S768 PolarHBondContact OD1-N 3.47Å; D766-S768 PolarHBondContact OD1-OG 2.97Å; D766-L769 PolarHBondContact O-N 3.45Å; D766-L769 PolarHBondContact OD1-N 2.77Å | ||
| 767 | E | 90.1 | Very high | 92.6 | Very high | 51 Ų | 51 | 57.4 Ų | 57.4 | 24% | 0.238 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.3 | -24 | -177.9 | -165.9 | -159.6 | 154.4 | 0 | 0 | 112.7 | Q644 L769 E770 R771 | Q644-E767 WeakPolarHBondContact CG-OE2 3.49Å; E767-L769 VanDerWaalsContact C-N 3.28Å; E767-L769 PolarHBondContact O-N 3.36Å; E767-E770 WeakPolarHBondContact O-CB 3.39Å; E767-E770 PolarHBondContact O-N 2.85Å; E767-R771 IonicContact OE1-CZ 3.67Å; E767-R771 IonicContact OE1-NE 3.77Å; E767-R771 IonicContact OE1-NH2 3.32Å; E767-R771 PolarHBondContact OE1-NH2 3.49Å |
| 768 | S | 89.3 | Confident | 92.6 | Very high | 16 Ų | 16 | 57.4 Ų | 57.4 | 11% | 0.112 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.6 | -34.3 | -174.9 | 79.4 | 0 | 0 | 0 | 0 | 111.6 | H604 H641 D766 E770 R771 I772 | H604-S768 PolarHBondContact CE1-OG 2.82Å; H604-S768 PolarHBondContact ND1-OG 2.81Å; H641-S768 PolarHBondContact CD2-OG 3Å; H641-S768 VanDerWaalsContact CD2-OG 3.3Å; D766-S768 PolarHBondContact O-N 2.94Å; D766-S768 WeakPolarHBondContact OD1-CA 3.5Å; D766-S768 VanDerWaalsContact OD1-CB 3.26Å; D766-S768 WeakPolarHBondContact OD1-CB 3.45Å; D766-S768 PolarHBondContact OD1-N 3.47Å; D766-S768 PolarHBondContact OD1-OG 2.97Å; S768-E770 VanDerWaalsContact C-N 3.29Å; S768-E770 PolarHBondContact O-N 2.85Å; S768-R771 PolarHBondContact O-N 3.22Å; S768-R771 VanDerWaalsContact O-N 3.16Å; S768-I772 WeakPolarHBondContact O-CG1 3.42Å; S768-I772 PolarHBondContact O-N 3.38Å |
| 769 | L | 90.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.7 | -34.9 | 176.6 | -75.5 | 174.2 | 0 | 0 | 0 | 113 | H604 V606 I765 D766 E767 R771 I772 A773 F779 F781 F800 | H604-L769 HydrophobicContact CB-CD1 3.88Å; H604-L769 HydrophobicContact CB-CD2 4.07Å; H604-L769 HydrophobicContact CB-CG 4.06Å; V606-L769 HydrophobicContact CG2-CD1 3.73Å; I765-L769 HydrophobicContact CB-CD1 4.03Å; I765-L769 HydrophobicContact CD1-CB 4.24Å; I765-L769 HydrophobicContact CG2-CD1 4.14Å; D766-L769 PolarHBondContact O-N 3.45Å; D766-L769 PolarHBondContact OD1-N 2.77Å; E767-L769 VanDerWaalsContact C-N 3.28Å; E767-L769 PolarHBondContact O-N 3.36Å; L769-R771 PolarHBondContact O-N 3.49Å; L769-I772 PolarHBondContact O-N 3.35Å; L769-A773 WeakPolarHBondContact O-CB 3.26Å; L769-A773 PolarHBondContact O-N 3.48Å; L769-F779 HydrophobicContact CD2-CD1 3.6Å; L769-F779 HydrophobicContact CD2-CD2 4.16Å; L769-F779 HydrophobicContact CD2-CE1 3.58Å; L769-F779 HydrophobicContact CD2-CE2 4.13Å; L769-F779 HydrophobicContact CD2-CG 3.91Å; L769-F779 HydrophobicContact CD2-CZ 3.86Å; L769-F781 HydrophobicContact CD1-CE1 4.35Å; L769-F800 HydrophobicContact CD1-CZ 4.49Å |
| 770 | E | 85.3 | Confident | 92.6 | Very high | 92 Ų | 92 | 51.3 Ų | 51.3 | 43% | 0.43 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.4 | -32.8 | 178.2 | -171.5 | 176.4 | -170.2 | 0 | 0 | 112 | R722 E767 S768 | R722-E770 WeakPolarHBondContact CG-OE2 3.36Å; R722-E770 IonicContact CZ-OE2 3.36Å; R722-E770 IonicContact NE-OE1 2.76Å; R722-E770 IonicContact NE-OE2 2.71Å; R722-E770 PolarHBondContact NE-OE2 3.02Å; R722-E770 IonicContact NH2-OE2 3.93Å; E767-E770 WeakPolarHBondContact O-CB 3.39Å; E767-E770 PolarHBondContact O-N 2.85Å; S768-E770 VanDerWaalsContact C-N 3.29Å; S768-E770 PolarHBondContact O-N 2.85Å |
| 771 | R | 82.8 | Confident | 92.6 | Very high | 190 Ų | 190 | 50.3 Ų | 50.3 | 72% | 0.717 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -84.8 | -27.2 | -175.4 | -58.6 | -179.1 | -175.2 | -172.7 | 0.4 | 113.4 | E767 S768 L769 | E767-R771 IonicContact OE1-CZ 3.67Å; E767-R771 IonicContact OE1-NE 3.77Å; E767-R771 IonicContact OE1-NH2 3.32Å; E767-R771 PolarHBondContact OE1-NH2 3.49Å; S768-R771 PolarHBondContact O-N 3.22Å; S768-R771 VanDerWaalsContact O-N 3.16Å; L769-R771 PolarHBondContact O-N 3.49Å |
| 772 | I | 88.3 | Confident | 92.8 | Very high | 80 Ų | 80 | 45 Ų | 45 | 41% | 0.41 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -112.3 | -28.5 | -169.1 | 70.1 | -179.5 | 0 | 0 | 0 | 113.6 | S768 L769 K774 F779 | S768-I772 WeakPolarHBondContact O-CG1 3.42Å; S768-I772 PolarHBondContact O-N 3.38Å; L769-I772 PolarHBondContact O-N 3.35Å; I772-K774 PolarHBondContact O-N 3.33Å; I772-F779 HydrophobicContact CD1-CE1 4.07Å; I772-F779 HydrophobicContact CG1-CE1 4.43Å; I772-F779 HydrophobicContact CG1-CZ 4.41Å |
| 773 | A | 91.6 | Very high | 93 | Very high | 19 Ų | 19 | 47 Ų | 47 | 16% | 0.157 | 22% | 0.215 | C | C | . | . | trans | -69.8 | 119.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L769 F779 V789 L798 | L769-A773 WeakPolarHBondContact O-CB 3.26Å; L769-A773 PolarHBondContact O-N 3.48Å; A773-F779 HydrophobicContact CB-CE2 4.06Å; A773-F779 HydrophobicContact CB-CZ 4.14Å; A773-V789 HydrophobicContact CB-CG2 3.93Å; A773-L798 HydrophobicContact CB-CD1 4.2Å | ||
| 774 | K | 94.1 | Very high | 92.9 | Very high | 151 Ų | 151 | 48.8 Ų | 48.8 | 66% | 0.657 | 23% | 0.226 | S | C | * | . | trans | -111.6 | 159.5 | 171.2 | -59.8 | 172.3 | -173.8 | 172.4 | 0 | 110.2 | I772 Y776 D777 V789 | I772-K774 PolarHBondContact O-N 3.33Å; K774-Y776 PolarHBondContact O-N 3.03Å; K774-D777 WeakPolarHBondContact CB-OD2 3.45Å; K774-D777 PolarHBondContact N-OD2 3.47Å; K774-D777 VanDerWaalsContact O-CB 3.24Å; K774-D777 WeakPolarHBondContact O-CB 3.42Å; K774-D777 PolarHBondContact O-N 3.39Å; K774-V789 WeakPolarHBondContact O-CB 3.48Å; K774-V789 VanDerWaalsContact O-CG2 3.31Å; K774-V789 WeakPolarHBondContact O-CG2 3.36Å | ||
| 775 | V | 95.1 | Very high | 92.8 | Very high | 66 Ų | 66 | 47.5 Ų | 47.5 | 40% | 0.4 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 132.9 | 177 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | D777 P791 | V775-D777 VanDerWaalsContact C-N 3.27Å; V775-D777 PolarHBondContact O-N 2.95Å; V775-P791 HydrophobicContact CG1-CB 4.02Å; V775-P791 HydrophobicContact CG1-CG 3.81Å |
| 776 | Y | 95.7 | Very high | 92.9 | Very high | 89 Ų | 89 | 47.8 Ų | 47.8 | 35% | 0.349 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | -0.1 | -172.9 | -54 | -65.9 | 0 | 0 | 0 | 117.1 | R558 K774 V789 P791 | R558-Y776 HydrophobicContact CG-CD1 4.39Å; R558-Y776 HydrophobicContact CG-CE1 4.09Å; K774-Y776 PolarHBondContact O-N 3.03Å; Y776-V789 PolarHBondContact N-O 2.98Å; Y776-P791 HydrophobicContact CE1-CG 3.89Å; Y776-P791 HydrophobicContact CE2-CG 4.36Å; Y776-P791 WeakPolarHBondContact OH-CG 3.49Å |
| 777 | D | 96.4 | Very high | 93.2 | Very high | 59 Ų | 59 | 47.8 Ų | 47.8 | 32% | 0.316 | 22% | 0.221 | S | C | . | . | trans | -65.1 | 140.5 | 170.8 | -72.4 | -12.6 | 0 | 0 | 0 | 110.3 | K774 V775 F779 S788 V789 | K774-D777 WeakPolarHBondContact CB-OD2 3.45Å; K774-D777 PolarHBondContact N-OD2 3.47Å; K774-D777 VanDerWaalsContact O-CB 3.24Å; K774-D777 WeakPolarHBondContact O-CB 3.42Å; K774-D777 PolarHBondContact O-N 3.39Å; V775-D777 VanDerWaalsContact C-N 3.27Å; V775-D777 PolarHBondContact O-N 2.95Å; D777-F779 HydrophobicContact CB-CE2 3.56Å; D777-F779 HydrophobicContact CB-CZ 3.81Å; D777-S788 CarbonylContact O-C 3.52Å; D777-S788 VanDerWaalsContact O-CA 3.27Å; D777-S788 WeakPolarHBondContact O-CA 3.14Å; D777-V789 HydrophobicContact CB-CG2 4.29Å; D777-V789 PolarHBondContact O-N 2.63Å | ||
| 778 | Q | 96.8 | Very high | 93.5 | Very high | 47 Ų | 47 | 45.3 Ų | 45.3 | 22% | 0.22 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 134.4 | -174 | -65.2 | 159.5 | -22.4 | 0 | 0 | 110.1 | G561 L597 P602 F787 | G561-Q778 PolarHBondContact O-NE2 3.25Å; L597-Q778 HydrophobicContact CD2-CB 4.04Å; L597-Q778 HydrophobicContact CD2-CG 4.17Å; L597-Q778 VanDerWaalsContact CD2-OE1 3.31Å; P602-Q778 WeakPolarHBondContact CD-O 3.41Å; Q778-F787 CarbonylContact C-O 3.57Å; Q778-F787 VanDerWaalsContact CA-O 3.32Å; Q778-F787 WeakPolarHBondContact CA-O 3.45Å |
| 779 | F | 96.7 | Very high | 93.9 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 147.1 | -177.7 | -60.3 | -81.8 | 0 | 0 | 0 | 110.3 | P602 H604 L769 I772 A773 D777 F781 Y786 F787 V789 F800 | P602-F779 HydrophobicContact CG-CD1 3.79Å; P602-F779 HydrophobicContact CG-CE1 4.02Å; H604-F779 AromaticContact CD2-CD1 3.48Å; H604-F779 VanDerWaalsContact CD2-CD1 3.48Å; H604-F779 WeakPolarHBondContact CD2-CD1 3.42Å; H604-F779 AromaticContact NE2-CD1 3.87Å; H604-F779 AromaticContact NE2-CE1 3.94Å; L769-F779 HydrophobicContact CD2-CD1 3.6Å; L769-F779 HydrophobicContact CD2-CD2 4.16Å; L769-F779 HydrophobicContact CD2-CE1 3.58Å; L769-F779 HydrophobicContact CD2-CE2 4.13Å; L769-F779 HydrophobicContact CD2-CG 3.91Å; L769-F779 HydrophobicContact CD2-CZ 3.86Å; I772-F779 HydrophobicContact CD1-CE1 4.07Å; I772-F779 HydrophobicContact CG1-CE1 4.43Å; I772-F779 HydrophobicContact CG1-CZ 4.41Å; A773-F779 HydrophobicContact CB-CE2 4.06Å; A773-F779 HydrophobicContact CB-CZ 4.14Å; D777-F779 HydrophobicContact CB-CE2 3.56Å; D777-F779 HydrophobicContact CB-CZ 3.81Å; F779-F781 HydrophobicContact CB-CD1 4.18Å; F779-F781 HydrophobicContact CB-CE1 3.98Å; F779-Y786 WeakPolarHBondContact O-CA 3.47Å; F779-F787 PolarHBondContact N-O 2.94Å; F779-F787 PolarHBondContact O-N 3.44Å; F779-V789 HydrophobicContact CD2-CG2 4.35Å; F779-V789 HydrophobicContact CE2-CG2 3.83Å; F779-F800 AromaticContact CD2-CE1 3.93Å; F779-F800 HydrophobicContact CD2-CE1 3.93Å; F779-F800 HydrophobicContact CE2-CE1 4.26Å |
| 780 | Q | 96.4 | Very high | 94.2 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.037 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 111.5 | 164.9 | -176.5 | -176 | -2.6 | 0 | 0 | 108.1 | A601 P602 R603 H604 E782 G785 Y786 L806 | A601-Q780 HydrophobicContact CB-CB 4.31Å; P602-Q780 PolarHBondContact O-N 2.71Å; R603-Q780 CarbonylContact C-O 3.58Å; R603-Q780 VanDerWaalsContact CA-O 3.28Å; R603-Q780 WeakPolarHBondContact CA-O 3.38Å; R603-Q780 HydrophobicContact CG-CB 3.99Å; R603-Q780 HydrophobicContact CG-CG 4.15Å; R603-Q780 VanDerWaalsContact CG-OE1 3.28Å; H604-Q780 PolarHBondContact N-O 3.02Å; Q780-E782 PolarHBondContact O-N 3.36Å; Q780-G785 CarbonylContact C-O 3.57Å; Q780-G785 WeakPolarHBondContact CA-O 3.31Å; Q780-Y786 HydrophobicContact CB-CD1 3.82Å; Q780-Y786 HydrophobicContact CB-CE1 3.8Å; Q780-Y786 HydrophobicContact CG-CD1 4.03Å; Q780-Y786 HydrophobicContact CG-CE1 3.76Å; Q780-L806 HydrophobicContact CG-CD2 4.04Å; Q780-L806 VanDerWaalsContact NE2-CD2 3.33Å |
| 781 | F | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 117.7 | 169.1 | -67.2 | 0 | 0 | 0 | 0 | 107.7 | V606 L608 V726 L769 F779 R783 V784 G785 F787 F800 | V606-F781 HydrophobicContact CB-CB 4.14Å; V606-F781 HydrophobicContact CB-CD1 4.12Å; V606-F781 HydrophobicContact CB-CD2 3.71Å; V606-F781 HydrophobicContact CB-CE1 4.47Å; V606-F781 HydrophobicContact CB-CE2 4.1Å; V606-F781 HydrophobicContact CB-CG 3.73Å; V606-F781 HydrophobicContact CB-CZ 4.46Å; V606-F781 HydrophobicContact CG1-CD2 3.65Å; V606-F781 HydrophobicContact CG1-CE2 3.7Å; V606-F781 HydrophobicContact CG1-CG 4.21Å; V606-F781 HydrophobicContact CG1-CZ 4.27Å; V606-F781 HydrophobicContact CG2-CB 4.42Å; V606-F781 HydrophobicContact CG2-CD1 3.54Å; V606-F781 HydrophobicContact CG2-CD2 3.97Å; V606-F781 HydrophobicContact CG2-CE1 3.66Å; V606-F781 HydrophobicContact CG2-CE2 4.08Å; V606-F781 HydrophobicContact CG2-CG 3.71Å; V606-F781 HydrophobicContact CG2-CZ 3.92Å; L608-F781 HydrophobicContact CD2-CD2 4.39Å; V726-F781 HydrophobicContact CG2-CE2 4.25Å; L769-F781 HydrophobicContact CD1-CE1 4.35Å; F779-F781 HydrophobicContact CB-CD1 4.18Å; F779-F781 HydrophobicContact CB-CE1 3.98Å; F781-R783 PolarHBondContact O-N 3.41Å; F781-V784 HydrophobicContact CB-CB 4.03Å; F781-V784 PolarHBondContact O-N 3.48Å; F781-G785 PolarHBondContact N-O 2.9Å; F781-G785 PolarHBondContact O-N 2.99Å; F781-F787 HydrophobicContact CB-CD2 3.67Å; F781-F787 HydrophobicContact CB-CE2 3.69Å; F781-F787 HydrophobicContact CD1-CB 4.25Å; F781-F787 AromaticContact CD1-CD2 3.96Å; F781-F787 HydrophobicContact CD1-CD2 3.96Å; F781-F787 HydrophobicContact CD1-CG 4.29Å; F781-F787 HydrophobicContact CD2-CB 4.21Å; F781-F787 AromaticContact CD2-CD1 3.89Å; F781-F787 HydrophobicContact CD2-CD1 3.89Å; F781-F787 AromaticContact CD2-CD2 3.22Å; F781-F787 HydrophobicContact CD2-CD2 3.22Å; F781-F787 HydrophobicContact CD2-CE1 4.04Å; F781-F787 AromaticContact CD2-CE2 3.41Å; F781-F787 HydrophobicContact CD2-CE2 3.41Å; F781-F787 VanDerWaalsContact CD2-CE2 3.41Å; F781-F787 AromaticContact CD2-CG 3.5Å; F781-F787 HydrophobicContact CD2-CG 3.5Å; F781-F787 VanDerWaalsContact CD2-CG 3.5Å; F781-F787 AromaticContact CD2-CZ 3.82Å; F781-F787 HydrophobicContact CD2-CZ 3.82Å; F781-F787 HydrophobicContact CE1-CB 3.94Å; F781-F787 HydrophobicContact CE1-CD2 4.41Å; F781-F787 HydrophobicContact CE1-CG 4.28Å; F781-F787 HydrophobicContact CE2-CB 3.9Å; F781-F787 AromaticContact CE2-CD1 3.68Å; F781-F787 HydrophobicContact CE2-CD1 3.68Å; F781-F787 AromaticContact CE2-CD2 3.76Å; F781-F787 HydrophobicContact CE2-CD2 3.76Å; F781-F787 HydrophobicContact CE2-CE1 4.13Å; F781-F787 HydrophobicContact CE2-CE2 4.21Å; F781-F787 AromaticContact CE2-CG 3.49Å; F781-F787 HydrophobicContact CE2-CG 3.49Å; F781-F787 VanDerWaalsContact CE2-CG 3.49Å; F781-F787 HydrophobicContact CE2-CZ 4.38Å; F781-F787 HydrophobicContact CG-CB 4.38Å; F781-F787 AromaticContact CG-CD2 3.33Å; F781-F787 HydrophobicContact CG-CD2 3.33Å; F781-F787 AromaticContact CG-CE2 3.72Å; F781-F787 HydrophobicContact CG-CE2 3.72Å; F781-F787 AromaticContact CG-CG 3.91Å; F781-F787 HydrophobicContact CG-CG 3.91Å; F781-F787 HydrophobicContact CZ-CB 3.76Å; F781-F787 HydrophobicContact CZ-CD1 4.37Å; F781-F787 HydrophobicContact CZ-CD2 4.33Å; F781-F787 AromaticContact CZ-CG 3.91Å; F781-F787 HydrophobicContact CZ-CG 3.91Å; F781-F800 HydrophobicContact CE1-CD1 4.21Å; F781-F800 HydrophobicContact CE1-CE1 4.26Å; F781-F800 HydrophobicContact CE2-CB 4.39Å; F781-F800 HydrophobicContact CE2-CG 4.42Å; F781-F800 HydrophobicContact CZ-CB 4.09Å; F781-F800 AromaticContact CZ-CD1 3.66Å; F781-F800 HydrophobicContact CZ-CD1 3.66Å; F781-F800 HydrophobicContact CZ-CD2 4.12Å; F781-F800 HydrophobicContact CZ-CE1 4.02Å; F781-F800 HydrophobicContact CZ-CE2 4.46Å; F781-F800 AromaticContact CZ-CG 3.7Å; F781-F800 HydrophobicContact CZ-CG 3.7Å; F781-F800 HydrophobicContact CZ-CZ 4.41Å |
| 782 | E | 93.9 | Very high | 95.3 | Very high | 7 Ų | 7 | 37 Ų | 37 | 3% | 0.033 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 127.8 | -170.1 | -176.8 | 59.7 | -98.9 | 0 | 0 | 111.2 | R603 H604 M605 K676 Y677 H716 Q780 V784 | R603-E782 WeakPolarHBondContact CD-OE2 3.42Å; H604-E782 WeakPolarHBondContact O-CB 3.48Å; H604-E782 PolarHBondContact O-N 3.47Å; M605-E782 HydrophobicContact CE-CG 4.49Å; M605-E782 HydrophobicContact SD-CB 4.04Å; M605-E782 HydrophobicContact SD-CG 4.14Å; K676-E782 HydrophobicContact CD-CG 3.81Å; K676-E782 IonicContact NZ-OE1 2.71Å; K676-E782 PolarHBondContact NZ-OE1 3.03Å; K676-E782 IonicContact NZ-OE2 3.05Å; K676-E782 PolarHBondContact NZ-OE2 3.3Å; Y677-E782 PolarHBondContact OH-OE2 2.95Å; H716-E782 HydrophobicContact CB-CB 4.09Å; H716-E782 HydrophobicContact CB-CG 3.88Å; H716-E782 PolarHBondContact ND1-O 3.47Å; Q780-E782 PolarHBondContact O-N 3.36Å; E782-V784 PolarHBondContact O-N 3.09Å |
| 783 | R | 92.8 | Very high | 95.6 | Very high | 74 Ų | 74 | 34.2 Ų | 34.2 | 28% | 0.279 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | -0.9 | -174.4 | -62 | 172.1 | 55.7 | -124.6 | 2 | 117.6 | D655 H716 F781 | D655-R783 IonicContact OD1-CZ 2.75Å; D655-R783 IonicContact OD1-NH1 2.88Å; D655-R783 IonicContact OD1-NH2 3.64Å; D655-R783 PolarHBondContact OD1-NH2 3.47Å; D655-R783 IonicContact OD2-CZ 2.84Å; D655-R783 IonicContact OD2-NH1 2.94Å; D655-R783 PolarHBondContact OD2-NH1 3.49Å; D655-R783 IonicContact OD2-NH2 3.57Å; D655-R783 PolarHBondContact OD2-NH2 3.34Å; H716-R783 PolarHBondContact ND1-NH1 2.7Å; F781-R783 PolarHBondContact O-N 3.41Å |
| 784 | V | 93.7 | Very high | 95.6 | Very high | 37 Ų | 37 | 36.3 Ų | 36.3 | 22% | 0.224 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -60 | -175.8 | 179.9 | 0 | 0 | 0 | 0 | 112 | L608 F781 E782 F787 | L608-V784 HydrophobicContact CD1-CG1 3.62Å; L608-V784 HydrophobicContact CG-CG1 4.2Å; F781-V784 HydrophobicContact CB-CB 4.03Å; F781-V784 PolarHBondContact O-N 3.48Å; E782-V784 PolarHBondContact O-N 3.09Å; V784-F787 HydrophobicContact CB-CE2 4.28Å; V784-F787 HydrophobicContact CG1-CE2 3.73Å; V784-F787 HydrophobicContact CG1-CZ 3.69Å |
| 785 | G | 95.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.1 | -171.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q780 F781 F787 | Q780-G785 CarbonylContact C-O 3.57Å; Q780-G785 WeakPolarHBondContact CA-O 3.31Å; F781-G785 PolarHBondContact N-O 2.9Å; F781-G785 PolarHBondContact O-N 2.99Å; G785-F787 WeakPolarHBondContact O-CD2 3.18Å |
| 786 | Y | 97.8 | Very high | 94.7 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 138.1 | 173.6 | -57.4 | -84.7 | 0 | 0 | 0 | 110 | R594 L597 N598 A601 F779 Q780 T803 V804 L806 | R594-Y786 HydrophobicContact CB-CE2 4.49Å; R594-Y786 HydrophobicContact CG-CE2 4.28Å; L597-Y786 VanDerWaalsContact C-CE1 3.49Å; L597-Y786 HydrophobicContact CB-CD1 3.44Å; L597-Y786 VanDerWaalsContact CB-CD1 3.44Å; L597-Y786 HydrophobicContact CB-CD2 4.43Å; L597-Y786 HydrophobicContact CB-CE1 3.69Å; L597-Y786 HydrophobicContact CB-CG 3.84Å; L597-Y786 HydrophobicContact CD1-CD1 4.23Å; L597-Y786 HydrophobicContact CD1-CG 3.9Å; L597-Y786 HydrophobicContact CG-CD1 4.44Å; L597-Y786 WeakPolarHBondContact O-CE1 3.43Å; N598-Y786 WeakPolarHBondContact CA-OH 3.26Å; N598-Y786 WeakPolarHBondContact CB-OH 3.4Å; N598-Y786 PolarHBondContact OD1-OH 3.2Å; A601-Y786 HydrophobicContact CB-CD1 3.92Å; A601-Y786 HydrophobicContact CB-CE1 4.26Å; F779-Y786 WeakPolarHBondContact O-CA 3.47Å; Q780-Y786 HydrophobicContact CB-CD1 3.82Å; Q780-Y786 HydrophobicContact CB-CE1 3.8Å; Q780-Y786 HydrophobicContact CG-CD1 4.03Å; Q780-Y786 HydrophobicContact CG-CE1 3.76Å; Y786-T803 WeakPolarHBondContact O-CB 3.49Å; Y786-T803 PolarHBondContact O-N 3.39Å; Y786-V804 HydrophobicContact CD2-CG2 3.76Å; Y786-V804 HydrophobicContact CG-CG2 4.38Å; Y786-V804 PolarHBondContact N-O 3.34Å; Y786-V804 PolarHBondContact O-N 3.29Å; Y786-L806 HydrophobicContact CD2-CD2 4.18Å; Y786-L806 HydrophobicContact CE2-CD2 3.68Å |
| 787 | F | 97.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 152.4 | -172.1 | -66.8 | -99.1 | 0 | 0 | 0 | 110.1 | V726 L728 Q778 F779 F781 V784 G785 F800 N801 R802 | V726-F787 HydrophobicContact CG1-CD1 3.95Å; V726-F787 HydrophobicContact CG1-CE1 3.51Å; L728-F787 HydrophobicContact CD2-CE1 3.89Å; L728-F787 HydrophobicContact CD2-CZ 4.27Å; Q778-F787 CarbonylContact C-O 3.57Å; Q778-F787 VanDerWaalsContact CA-O 3.32Å; Q778-F787 WeakPolarHBondContact CA-O 3.45Å; F779-F787 PolarHBondContact N-O 2.94Å; F779-F787 PolarHBondContact O-N 3.44Å; F781-F787 HydrophobicContact CB-CD2 3.67Å; F781-F787 HydrophobicContact CB-CE2 3.69Å; F781-F787 HydrophobicContact CD1-CB 4.25Å; F781-F787 AromaticContact CD1-CD2 3.96Å; F781-F787 HydrophobicContact CD1-CD2 3.96Å; F781-F787 HydrophobicContact CD1-CG 4.29Å; F781-F787 HydrophobicContact CD2-CB 4.21Å; F781-F787 AromaticContact CD2-CD1 3.89Å; F781-F787 HydrophobicContact CD2-CD1 3.89Å; F781-F787 AromaticContact CD2-CD2 3.22Å; F781-F787 HydrophobicContact CD2-CD2 3.22Å; F781-F787 HydrophobicContact CD2-CE1 4.04Å; F781-F787 AromaticContact CD2-CE2 3.41Å; F781-F787 HydrophobicContact CD2-CE2 3.41Å; F781-F787 VanDerWaalsContact CD2-CE2 3.41Å; F781-F787 AromaticContact CD2-CG 3.5Å; F781-F787 HydrophobicContact CD2-CG 3.5Å; F781-F787 VanDerWaalsContact CD2-CG 3.5Å; F781-F787 AromaticContact CD2-CZ 3.82Å; F781-F787 HydrophobicContact CD2-CZ 3.82Å; F781-F787 HydrophobicContact CE1-CB 3.94Å; F781-F787 HydrophobicContact CE1-CD2 4.41Å; F781-F787 HydrophobicContact CE1-CG 4.28Å; F781-F787 HydrophobicContact CE2-CB 3.9Å; F781-F787 AromaticContact CE2-CD1 3.68Å; F781-F787 HydrophobicContact CE2-CD1 3.68Å; F781-F787 AromaticContact CE2-CD2 3.76Å; F781-F787 HydrophobicContact CE2-CD2 3.76Å; F781-F787 HydrophobicContact CE2-CE1 4.13Å; F781-F787 HydrophobicContact CE2-CE2 4.21Å; F781-F787 AromaticContact CE2-CG 3.49Å; F781-F787 HydrophobicContact CE2-CG 3.49Å; F781-F787 VanDerWaalsContact CE2-CG 3.49Å; F781-F787 HydrophobicContact CE2-CZ 4.38Å; F781-F787 HydrophobicContact CG-CB 4.38Å; F781-F787 AromaticContact CG-CD2 3.33Å; F781-F787 HydrophobicContact CG-CD2 3.33Å; F781-F787 AromaticContact CG-CE2 3.72Å; F781-F787 HydrophobicContact CG-CE2 3.72Å; F781-F787 AromaticContact CG-CG 3.91Å; F781-F787 HydrophobicContact CG-CG 3.91Å; F781-F787 HydrophobicContact CZ-CB 3.76Å; F781-F787 HydrophobicContact CZ-CD1 4.37Å; F781-F787 HydrophobicContact CZ-CD2 4.33Å; F781-F787 AromaticContact CZ-CG 3.91Å; F781-F787 HydrophobicContact CZ-CG 3.91Å; V784-F787 HydrophobicContact CB-CE2 4.28Å; V784-F787 HydrophobicContact CG1-CE2 3.73Å; V784-F787 HydrophobicContact CG1-CZ 3.69Å; G785-F787 WeakPolarHBondContact O-CD2 3.18Å; F787-F800 HydrophobicContact CB-CB 4.44Å; F787-F800 HydrophobicContact CB-CD1 4.48Å; F787-F800 HydrophobicContact CD1-CB 4.45Å; F787-N801 CarbonylContact C-O 3.57Å; F787-N801 WeakPolarHBondContact CA-O 3.42Å; F787-R802 VanDerWaalsContact CD1-CA 3.49Å; F787-R802 HydrophobicContact CD1-CB 3.93Å; F787-R802 HydrophobicContact CD1-CG 4.46Å; F787-R802 HydrophobicContact CE1-CB 3.54Å; F787-R802 HydrophobicContact CE1-CG 3.94Å; F787-R802 HydrophobicContact CZ-CB 4.12Å; F787-R802 HydrophobicContact CZ-CG 4Å |
| 788 | S | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 143.6 | 175.3 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | G561 D777 D790 F800 N801 | G561-S788 VanDerWaalsContact CA-CB 3.42Å; D777-S788 CarbonylContact O-C 3.52Å; D777-S788 VanDerWaalsContact O-CA 3.27Å; D777-S788 WeakPolarHBondContact O-CA 3.14Å; S788-D790 PolarHBondContact O-N 3.21Å; S788-F800 CarbonylContact O-C 3.47Å; S788-F800 WeakPolarHBondContact O-CA 3.3Å; S788-N801 PolarHBondContact N-O 3.26Å; S788-N801 PolarHBondContact O-N 2.56Å |
| 789 | V | 97.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 123.9 | 173.3 | -175.3 | 0 | 0 | 0 | 0 | 109 | A773 K774 Y776 D777 F779 S793 F800 | A773-V789 HydrophobicContact CB-CG2 3.93Å; K774-V789 WeakPolarHBondContact O-CB 3.48Å; K774-V789 VanDerWaalsContact O-CG2 3.31Å; K774-V789 WeakPolarHBondContact O-CG2 3.36Å; Y776-V789 PolarHBondContact N-O 2.98Å; D777-V789 HydrophobicContact CB-CG2 4.29Å; D777-V789 PolarHBondContact O-N 2.63Å; F779-V789 HydrophobicContact CD2-CG2 4.35Å; F779-V789 HydrophobicContact CE2-CG2 3.83Å; V789-S793 WeakPolarHBondContact CG1-OG 3.25Å; V789-F800 HydrophobicContact CG2-CD1 4.01Å; V789-F800 HydrophobicContact CG2-CE1 3.51Å; V789-F800 HydrophobicContact CG2-CZ 4.18Å |
| 790 | D | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -81.7 | 147.6 | 179.8 | -172.4 | -101.3 | 0 | 0 | 0 | 110.8 | R559 R727 S788 D792 S793 V799 N801 | R559-D790 WeakPolarHBondContact CG-OD2 3.47Å; R559-D790 IonicContact CZ-OD1 3.96Å; R559-D790 IonicContact CZ-OD2 2.73Å; R559-D790 IonicContact NE-OD1 2.8Å; R559-D790 IonicContact NE-OD2 2.71Å; R559-D790 PolarHBondContact NE-OD2 3.04Å; R559-D790 IonicContact NH2-OD1 2.78Å; R559-D790 PolarHBondContact NH2-OD1 2.87Å; R559-D790 IonicContact NH2-OD2 3.95Å; R559-D790 PolarHBondContact NH2-OD2 3.36Å; R727-D790 IonicContact NH1-OD1 3.83Å; R727-D790 PolarHBondContact NH1-OD1 3.34Å; R727-D790 IonicContact NH1-OD2 3.19Å; S788-D790 PolarHBondContact O-N 3.21Å; D790-D792 PolarHBondContact O-N 3.48Å; D790-D792 VanDerWaalsContact O-N 3.16Å; D790-D792 WeakPolarHBondContact OD1-CB 3.2Å; D790-D792 PolarHBondContact OD1-N 3.22Å; D790-S793 VanDerWaalsContact O-CB 3.22Å; D790-S793 WeakPolarHBondContact O-CB 3.5Å; D790-S793 PolarHBondContact O-N 3.4Å; D790-S793 PolarHBondContact O-OG 3.38Å; D790-V799 HydrophobicContact CB-CB 4.08Å; D790-V799 HydrophobicContact CB-CG1 3.85Å; D790-V799 PolarHBondContact N-O 3.16Å; D790-N801 PolarHBondContact OD2-ND2 3.44Å | ||
| 791 | P | 95.3 | Very high | 94.4 | Very high | 48 Ų | 48 | 37.4 Ų | 37.4 | 31% | 0.312 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -17.3 | 174.3 | -25.5 | 35.4 | 0 | 0 | 0 | 115.7 | V775 Y776 S793 | V775-P791 HydrophobicContact CG1-CB 4.02Å; V775-P791 HydrophobicContact CG1-CG 3.81Å; Y776-P791 HydrophobicContact CE1-CG 3.89Å; Y776-P791 HydrophobicContact CE2-CG 4.36Å; Y776-P791 WeakPolarHBondContact OH-CG 3.49Å; P791-S793 PolarHBondContact O-N 3Å |
| 792 | D | 95 | Very high | 94.5 | Very high | 74 Ų | 74 | 40 Ų | 40 | 40% | 0.396 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -4.5 | 172.1 | -63.9 | -10 | 0 | 0 | 0 | 112.5 | R544 R559 R727 D790 V799 | R544-D792 IonicContact NH1-OD2 3.57Å; R544-D792 PolarHBondContact NH1-OD2 3.18Å; R559-D792 IonicContact CZ-OD1 3.53Å; R559-D792 IonicContact NH2-OD1 3.7Å; R559-D792 PolarHBondContact NH2-OD1 3.33Å; R559-D792 IonicContact NH2-OD2 2.98Å; R559-D792 PolarHBondContact NH2-OD2 2.87Å; R559-D792 VanDerWaalsContact NH2-OD2 3.08Å; R727-D792 IonicContact CZ-OD2 3.86Å; R727-D792 VanDerWaalsContact CZ-OD2 3.27Å; R727-D792 IonicContact NH1-OD2 3.84Å; R727-D792 PolarHBondContact NH1-OD2 2.81Å; R727-D792 IonicContact NH2-OD2 3.9Å; R727-D792 PolarHBondContact NH2-OD2 3.39Å; D790-D792 PolarHBondContact O-N 3.48Å; D790-D792 VanDerWaalsContact O-N 3.16Å; D790-D792 WeakPolarHBondContact OD1-CB 3.2Å; D790-D792 PolarHBondContact OD1-N 3.22Å; D792-V799 HydrophobicContact CB-CG2 4.34Å |
| 793 | S | 94.1 | Very high | 94.6 | Very high | 22 Ų | 22 | 39.7 Ų | 39.7 | 15% | 0.154 | 21% | 0.209 | C | C | . | . | trans | -64.2 | 143.7 | 176.3 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | V789 D790 P791 V799 | V789-S793 WeakPolarHBondContact CG1-OG 3.25Å; D790-S793 VanDerWaalsContact O-CB 3.22Å; D790-S793 WeakPolarHBondContact O-CB 3.5Å; D790-S793 PolarHBondContact O-N 3.4Å; D790-S793 PolarHBondContact O-OG 3.38Å; P791-S793 PolarHBondContact O-N 3Å; S793-V799 PolarHBondContact OG-N 2.96Å; S793-V799 PolarHBondContact OG-O 2.9Å | ||
| 794 | S | 91.2 | Very high | 94.8 | Very high | 62 Ų | 62 | 36.2 Ų | 36.2 | 43% | 0.434 | 20% | 0.196 | S | C | . | . | B | Isolated β-bridge | trans | -132 | 169.3 | 176.4 | 66.4 | 0 | 0 | 0 | 0 | 110.5 | Q796 T797 | S794-Q796 PolarHBondContact O-N 3.38Å; S794-Q796 PolarHBondContact OG-N 2.89Å; S794-T797 PolarHBondContact N-O 3.26Å; S794-T797 CarbonylContact O-C 3.59Å; S794-T797 PolarHBondContact O-N 3.07Å; S794-T797 VanDerWaalsContact O-N 3.11Å; S794-T797 PolarHBondContact OG-N 3.12Å |
| 795 | D | 84.9 | Confident | 94.8 | Very high | 172 Ų | 172 | 36.1 Ų | 36.1 | 92% | 0.92 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -20.9 | 176.3 | -60.3 | -18.9 | 0 | 0 | 0 | 113.4 | ||
| 796 | Q | 85.7 | Confident | 94.5 | Very high | 181 Ų | 181 | 38.7 Ų | 38.7 | 85% | 0.846 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -26.2 | -179.7 | -63.5 | -175.8 | -2.2 | 0 | 0 | 113.7 | S794 | S794-Q796 PolarHBondContact O-N 3.38Å; S794-Q796 PolarHBondContact OG-N 2.89Å |
| 797 | T | 90.1 | Very high | 93.9 | Very high | 64 Ų | 64 | 48.4 Ų | 48.4 | 39% | 0.393 | 25% | 0.247 | S | C | . | . | B | Isolated β-bridge | trans | -150.3 | 117.4 | -173.2 | -60.1 | 0 | 0 | 0 | 0 | 110 | S794 | S794-T797 PolarHBondContact N-O 3.26Å; S794-T797 CarbonylContact O-C 3.59Å; S794-T797 PolarHBondContact O-N 3.07Å; S794-T797 VanDerWaalsContact O-N 3.11Å; S794-T797 PolarHBondContact OG-N 3.12Å |
| 798 | L | 94.8 | Very high | 92.5 | Very high | 27 Ų | 27 | 52.1 Ų | 52.1 | 14% | 0.141 | 27% | 0.265 | C | S | . | . | trans | -78.7 | 140.3 | 170.2 | -65.4 | 176.8 | 0 | 0 | 0 | 110.2 | C724 E725 I765 A773 F800 | C724-L798 HydrophobicContact CB-CB 4.27Å; C724-L798 WeakPolarHBondContact CB-O 3.35Å; E725-L798 PolarHBondContact N-O 3.25Å; I765-L798 HydrophobicContact CD1-CD1 3.9Å; A773-L798 HydrophobicContact CB-CD1 4.2Å; L798-F800 HydrophobicContact CB-CD2 4.35Å; L798-F800 HydrophobicContact CB-CE2 3.67Å; L798-F800 HydrophobicContact CB-CZ 4.33Å; L798-F800 HydrophobicContact CD1-CE2 4.12Å; L798-F800 HydrophobicContact CD1-CZ 4.13Å | ||
| 799 | V | 96.5 | Very high | 90.7 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.036 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 126.9 | 176.1 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | E725 D790 D792 S793 | E725-V799 HydrophobicContact CB-CG1 4.31Å; E725-V799 HydrophobicContact CB-CG2 4.17Å; E725-V799 HydrophobicContact CG-CG1 4.34Å; E725-V799 CarbonylContact O-C 3.58Å; E725-V799 WeakPolarHBondContact O-CA 3.44Å; D790-V799 HydrophobicContact CB-CB 4.08Å; D790-V799 HydrophobicContact CB-CG1 3.85Å; D790-V799 PolarHBondContact N-O 3.16Å; D792-V799 HydrophobicContact CB-CG2 4.34Å; S793-V799 PolarHBondContact OG-N 2.96Å; S793-V799 PolarHBondContact OG-O 2.9Å |
| 800 | F | 97.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 137.3 | 178.2 | -65.5 | -94.1 | 0 | 0 | 0 | 111.7 | C724 E725 V726 R727 I765 L769 F779 F781 F787 S788 V789 L798 | C724-F800 HydrophobicContact CB-CD2 4.43Å; C724-F800 HydrophobicContact CB-CE2 4.38Å; E725-F800 PolarHBondContact O-N 2.69Å; V726-F800 CarbonylContact C-O 3.48Å; V726-F800 WeakPolarHBondContact CA-O 3.35Å; V726-F800 HydrophobicContact CG2-CB 4.24Å; R727-F800 PolarHBondContact N-O 3.12Å; I765-F800 HydrophobicContact CG2-CE2 4.48Å; L769-F800 HydrophobicContact CD1-CZ 4.49Å; F779-F800 AromaticContact CD2-CE1 3.93Å; F779-F800 HydrophobicContact CD2-CE1 3.93Å; F779-F800 HydrophobicContact CE2-CE1 4.26Å; F781-F800 HydrophobicContact CE1-CD1 4.21Å; F781-F800 HydrophobicContact CE1-CE1 4.26Å; F781-F800 HydrophobicContact CE2-CB 4.39Å; F781-F800 HydrophobicContact CE2-CG 4.42Å; F781-F800 HydrophobicContact CZ-CB 4.09Å; F781-F800 AromaticContact CZ-CD1 3.66Å; F781-F800 HydrophobicContact CZ-CD1 3.66Å; F781-F800 HydrophobicContact CZ-CD2 4.12Å; F781-F800 HydrophobicContact CZ-CE1 4.02Å; F781-F800 HydrophobicContact CZ-CE2 4.46Å; F781-F800 AromaticContact CZ-CG 3.7Å; F781-F800 HydrophobicContact CZ-CG 3.7Å; F781-F800 HydrophobicContact CZ-CZ 4.41Å; F787-F800 HydrophobicContact CB-CB 4.44Å; F787-F800 HydrophobicContact CB-CD1 4.48Å; F787-F800 HydrophobicContact CD1-CB 4.45Å; S788-F800 CarbonylContact O-C 3.47Å; S788-F800 WeakPolarHBondContact O-CA 3.3Å; V789-F800 HydrophobicContact CG2-CD1 4.01Å; V789-F800 HydrophobicContact CG2-CE1 3.51Å; V789-F800 HydrophobicContact CG2-CZ 4.18Å; L798-F800 HydrophobicContact CB-CD2 4.35Å; L798-F800 HydrophobicContact CB-CE2 3.67Å; L798-F800 HydrophobicContact CB-CZ 4.33Å; L798-F800 HydrophobicContact CD1-CE2 4.12Å; L798-F800 HydrophobicContact CD1-CZ 4.13Å |
| 801 | N | 97.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 131.3 | 171.4 | -73.5 | -25.6 | 0 | 0 | 0 | 109.9 | R559 R727 Y729 F787 S788 D790 T803 | R559-N801 PolarHBondContact O-ND2 3.1Å; R727-N801 WeakPolarHBondContact CD-OD1 3.41Å; Y729-N801 HydrophobicContact CE2-CB 3.74Å; Y729-N801 PolarHBondContact OH-OD1 3.03Å; F787-N801 CarbonylContact C-O 3.57Å; F787-N801 WeakPolarHBondContact CA-O 3.42Å; S788-N801 PolarHBondContact N-O 3.26Å; S788-N801 PolarHBondContact O-N 2.56Å; D790-N801 PolarHBondContact OD2-ND2 3.44Å; N801-T803 PolarHBondContact O-N 2.89Å; N801-T803 VanDerWaalsContact O-N 3.13Å |
| 802 | R | 97.6 | Very high | 83.9 | Confident | 55 Ų | 55 | 72.4 Ų | 72.4 | 21% | 0.208 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 113.1 | 166.2 | -174.4 | 173.6 | 66.4 | -166.1 | -0.4 | 109.5 | R727 L728 Y729 F787 | R727-R802 PolarHBondContact O-N 3.37Å; L728-R802 HydrophobicContact CD2-CB 3.94Å; Y729-R802 WeakPolarHBondContact CD2-O 3.46Å; Y729-R802 PolarHBondContact O-NH2 2.79Å; F787-R802 VanDerWaalsContact CD1-CA 3.49Å; F787-R802 HydrophobicContact CD1-CB 3.93Å; F787-R802 HydrophobicContact CD1-CG 4.46Å; F787-R802 HydrophobicContact CE1-CB 3.54Å; F787-R802 HydrophobicContact CE1-CG 3.94Å; F787-R802 HydrophobicContact CZ-CB 4.12Å; F787-R802 HydrophobicContact CZ-CG 4Å |
| 803 | T | 96.9 | Very high | 81.2 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | -63.8 | 173.4 | -51.6 | 0 | 0 | 0 | 0 | 109.6 | R560 G561 F562 V593 L597 Y786 N801 | R560-T803 PolarHBondContact NE-O 2.93Å; R560-T803 PolarHBondContact NH2-O 2.96Å; R560-T803 VanDerWaalsContact NH2-O 3.11Å; R560-T803 VanDerWaalsContact O-CA 3.28Å; R560-T803 WeakPolarHBondContact O-CA 3.46Å; R560-T803 WeakPolarHBondContact O-CB 3.32Å; R560-T803 PolarHBondContact O-OG1 2.94Å; G561-T803 VanDerWaalsContact C-CG2 3.5Å; G561-T803 VanDerWaalsContact O-CG2 3.29Å; G561-T803 WeakPolarHBondContact O-CG2 3.49Å; F562-T803 HydrophobicContact CD2-CG2 3.59Å; F562-T803 HydrophobicContact CE2-CG2 3.84Å; V593-T803 HydrophobicContact CG1-CG2 3.81Å; L597-T803 HydrophobicContact CD1-CG2 3.93Å; Y786-T803 WeakPolarHBondContact O-CB 3.49Å; Y786-T803 PolarHBondContact O-N 3.39Å; N801-T803 PolarHBondContact O-N 2.89Å; N801-T803 VanDerWaalsContact O-N 3.13Å |
| 804 | V | 95.8 | Very high | 78.1 | Confident | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.012 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 154.8 | 178.7 | -65.6 | 0 | 0 | 0 | 0 | 110.6 | F562 E590 V593 R594 Y786 | F562-V804 HydrophobicContact CE2-CG1 4.21Å; F562-V804 HydrophobicContact CZ-CG1 4.23Å; E590-V804 HydrophobicContact CB-CG1 3.72Å; E590-V804 HydrophobicContact CG-CG1 3.65Å; V593-V804 HydrophobicContact CB-CG1 4.3Å; V593-V804 HydrophobicContact CB-CG2 4.5Å; V593-V804 HydrophobicContact CG1-CG1 3.99Å; V593-V804 HydrophobicContact CG1-CG2 3.84Å; R594-V804 HydrophobicContact CG-CB 4.3Å; R594-V804 HydrophobicContact CG-CG2 3.59Å; Y786-V804 HydrophobicContact CD2-CG2 3.76Å; Y786-V804 HydrophobicContact CG-CG2 4.38Å; Y786-V804 PolarHBondContact N-O 3.34Å; Y786-V804 PolarHBondContact O-N 3.29Å |
| 805 | S | 93.8 | Very high | 75.3 | Confident | 34 Ų | 34 | 78.9 Ų | 78.9 | 24% | 0.238 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 159.6 | 171.7 | 52 | 0 | 0 | 0 | 0 | 111.7 | R594 R807 | R594-S805 VanDerWaalsContact CD-O 3.32Å; R594-S805 WeakPolarHBondContact CD-O 3.33Å; R594-S805 PolarHBondContact NE-O 3.02Å; S805-R807 WeakPolarHBondContact CB-O 3.24Å; S805-R807 PolarHBondContact O-N 2.86Å; S805-R807 PolarHBondContact OG-O 2.77Å |
| 806 | L | 90.2 | Very high | 74.8 | Confident | 54 Ų | 54 | 74.2 Ų | 74.2 | 28% | 0.283 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -63 | -29.7 | 177.3 | -65.7 | -178 | 0 | 0 | 0 | 113.5 | Q780 Y786 | Q780-L806 HydrophobicContact CG-CD2 4.04Å; Q780-L806 VanDerWaalsContact NE2-CD2 3.33Å; Y786-L806 HydrophobicContact CD2-CD2 4.18Å; Y786-L806 HydrophobicContact CE2-CD2 3.68Å |
| 807 | R | 83.6 | Confident | 74.3 | Confident | 213 Ų | 213 | 68.6 Ų | 68.6 | 80% | 0.804 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -133.4 | 150.1 | 179.2 | -64.1 | -176.3 | -178.9 | -173.5 | -1.6 | 109.3 | S805 D809 | S805-R807 WeakPolarHBondContact CB-O 3.24Å; S805-R807 PolarHBondContact O-N 2.86Å; S805-R807 PolarHBondContact OG-O 2.77Å; R807-D809 PolarHBondContact O-N 3.22Å |
| 808 | E | 69.6 | Low | 73.4 | Confident | 80 Ų | 80 | 68.8 Ų | 68.8 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | trans | -64.9 | 129.8 | 169 | -169.2 | 179 | 176.8 | 0 | 0 | 109.1 | T587 V810 N813 | T587-E808 WeakPolarHBondContact CB-OE1 3.37Å; T587-E808 HydrophobicContact CG2-CG 4.28Å; T587-E808 WeakPolarHBondContact CG2-OE1 3.39Å; T587-E808 PolarHBondContact OG1-OE1 2.99Å; E808-V810 PolarHBondContact O-N 3.49Å; E808-V810 VanDerWaalsContact O-N 3.16Å; E808-N813 PolarHBondContact OE1-ND2 3.42Å | ||
| 809 | D | 59 | Low | 72.1 | Confident | 84 Ų | 84 | 71.3 Ų | 71.3 | 45% | 0.449 | 36% | 0.364 | S | S | . | . | trans | -84.5 | 92.4 | -179.2 | -153.3 | -4 | 0 | 0 | 0 | 108.4 | R807 R811 K812 | R807-D809 PolarHBondContact O-N 3.22Å; D809-R811 PolarHBondContact O-N 3.22Å; D809-K812 HydrophobicContact CB-CD 4.17Å; D809-K812 HydrophobicContact CB-CG 4.12Å; D809-K812 WeakPolarHBondContact O-CB 3.28Å; D809-K812 PolarHBondContact O-N 3.41Å | ||
| 810 | V | 51.6 | Low | 70.6 | Confident | 111 Ų | 111 | 75.4 Ų | 75.4 | 67% | 0.673 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -54.1 | -26.7 | -174.7 | -176.3 | 0 | 0 | 0 | 0 | 112.3 | E808 K812 N813 | E808-V810 PolarHBondContact O-N 3.49Å; E808-V810 VanDerWaalsContact O-N 3.16Å; V810-K812 VanDerWaalsContact C-N 3.26Å; V810-K812 PolarHBondContact O-N 3Å; V810-N813 PolarHBondContact O-N 2.78Å |
| 811 | R | 48.6 | Very low | 68.8 | Low | 214 Ų | 214 | 80.4 Ų | 80.4 | 81% | 0.808 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -65.2 | -24.5 | 177 | -61.1 | -177 | -169 | -175.4 | 3.5 | 113.6 | D809 N813 T814 | D809-R811 PolarHBondContact O-N 3.22Å; R811-N813 VanDerWaalsContact C-N 3.32Å; R811-T814 PolarHBondContact O-OG1 2.68Å; R811-T814 VanDerWaalsContact O-OG1 3.07Å |
| 812 | K | 47.3 | Very low | 66.7 | Low | 65 Ų | 65 | 86.1 Ų | 86.1 | 28% | 0.283 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -79.9 | -11 | 178.6 | -66.4 | -171.7 | 176.5 | -163.6 | 0 | 114 | D730 R731 D809 V810 | D730-K812 IonicContact OD1-NZ 3.51Å; D730-K812 PolarHBondContact OD1-NZ 2.97Å; D730-K812 WeakPolarHBondContact OD2-CE 3.37Å; D730-K812 IonicContact OD2-NZ 2.7Å; D730-K812 PolarHBondContact OD2-NZ 2.96Å; R731-K812 PolarHBondContact NH1-O 2.74Å; D809-K812 HydrophobicContact CB-CD 4.17Å; D809-K812 HydrophobicContact CB-CG 4.12Å; D809-K812 WeakPolarHBondContact O-CB 3.28Å; D809-K812 PolarHBondContact O-N 3.41Å; V810-K812 VanDerWaalsContact C-N 3.26Å; V810-K812 PolarHBondContact O-N 3Å |
| 813 | N | 38 | Very low | 64.3 | Low | 50 Ų | 50 | 88.5 Ų | 88.5 | 27% | 0.267 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -91.4 | -2.3 | 178.9 | -71.7 | -15.9 | 0 | 0 | 0 | 113.4 | R731 E808 V810 R811 | R731-N813 PolarHBondContact NH2-OD1 2.99Å; E808-N813 PolarHBondContact OE1-ND2 3.42Å; V810-N813 PolarHBondContact O-N 2.78Å; R811-N813 VanDerWaalsContact C-N 3.32Å |
| 814 | T | 29 | Very low | 61.6 | Low | 121 Ų | 121 | 95.9 Ų | 95.9 | 74% | 0.742 | 50% | 0.496 | S | S | * | . | trans | -108.9 | 4.7 | -178.3 | 45.7 | 0 | 0 | 0 | 0 | 114.9 | R811 | R811-T814 PolarHBondContact O-OG1 2.68Å; R811-T814 VanDerWaalsContact O-OG1 3.07Å | ||
| 815 | A | 33.1 | Very low | 58.5 | Low | 123 Ų | 123 | 104.5 Ų | 104.5 | 100% | 1.017 | 54% | 0.54 | S | S | * | . | trans | -92.2 | 0 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108 |
Retrieved 815 of 815 residues in 344.4 ms
(Link to these results)