| 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 | 79.7 | Confident | 87.8 | Confident | 125 Ų | 125 | 87.1 Ų | 87.1 | 62% | 0.616 | 38% | 0.382 | S | S | * | . | 0 | -49.7 | 0 | -75.7 | -160.3 | -78 | 0 | 0 | 112.3 | K3 K4 K5 T41 A45 | M1-K3 PolarHBondContact O-N 2.78Å; M1-K4 WeakPolarHBondContact O-CB 3.44Å; M1-K4 PolarHBondContact O-N 3.39Å; M1-K5 PolarHBondContact O-N 2.74Å; M1-K5 VanDerWaalsContact O-N 3.14Å; M1-T41 HydrophobicContact CB-CG2 4.3Å; M1-A45 HydrophobicContact CE-CB 3.76Å | |||
| 2 | L | 89.1 | Confident | 87.9 | Confident | 13 Ų | 13 | 85.3 Ų | 85.3 | 7% | 0.068 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -49.1 | 179.3 | -65.4 | 167.3 | 0 | 0 | 0 | 113.6 | K4 K5 K6 L7 W8 V11 A38 T41 I42 W64 | L2-K4 VanDerWaalsContact C-N 3.34Å; L2-K4 PolarHBondContact O-N 3.26Å; L2-K5 CarbonylContact O-C 3.49Å; L2-K5 PolarHBondContact O-N 3.16Å; L2-K6 PolarHBondContact O-N 3.06Å; L2-K6 VanDerWaalsContact O-N 3.14Å; L2-L7 HydrophobicContact CD2-CB 4.08Å; L2-L7 PolarHBondContact O-N 3.11Å; L2-W8 HydrophobicContact CB-CB 4.24Å; L2-W8 HydrophobicContact CB-CE3 4Å; L2-W8 HydrophobicContact CD1-CE3 3.73Å; L2-W8 HydrophobicContact CD1-CZ3 3.94Å; L2-W8 PolarHBondContact O-N 2.99Å; L2-V11 HydrophobicContact CD1-CG1 4.42Å; L2-V11 HydrophobicContact CD1-CG2 4.04Å; L2-V11 HydrophobicContact CD2-CG2 4.28Å; L2-A38 HydrophobicContact CD2-CB 4.15Å; L2-T41 HydrophobicContact CD2-CG2 4.21Å; L2-I42 HydrophobicContact CD1-CD1 4.11Å; L2-I42 HydrophobicContact CD1-CG1 3.91Å; L2-I42 HydrophobicContact CD2-CG1 4.29Å; L2-W64 HydrophobicContact CD1-CE3 4.28Å; L2-W64 HydrophobicContact CD1-CZ3 4.16Å |
| 3 | K | 87 | Confident | 87.5 | Confident | 159 Ų | 159 | 80.6 Ų | 80.6 | 69% | 0.691 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -42.2 | 175.8 | -67.8 | -173.1 | 179 | -176 | 0 | 113.1 | M1 K5 K6 W8 | M1-K3 PolarHBondContact O-N 2.78Å; K3-K5 VanDerWaalsContact C-N 3.34Å; K3-K5 PolarHBondContact O-N 3.23Å; K3-K6 PolarHBondContact O-N 3.46Å; K3-K6 VanDerWaalsContact O-N 3.09Å; K3-W8 HydrophobicContact CG-CB 3.86Å; K3-W8 HydrophobicContact CG-CD2 4.37Å; K3-W8 HydrophobicContact CG-CG 3.87Å |
| 4 | K | 83.1 | Confident | 87.4 | Confident | 193 Ų | 193 | 80.7 Ų | 80.7 | 84% | 0.839 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -36.1 | 179.2 | -175.1 | 176.6 | 179.8 | 174.7 | 0 | 112.3 | M1 L2 K6 | M1-K4 WeakPolarHBondContact O-CB 3.44Å; M1-K4 PolarHBondContact O-N 3.39Å; L2-K4 VanDerWaalsContact C-N 3.34Å; L2-K4 PolarHBondContact O-N 3.26Å; K4-K6 VanDerWaalsContact C-N 3.27Å |
| 5 | K | 87.8 | Confident | 87.3 | Confident | 100 Ų | 100 | 78.4 Ų | 78.4 | 44% | 0.435 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 2.5 | 175.6 | -67.9 | -172.7 | 176.6 | -177.1 | 0 | 113.3 | M1 L2 K3 L7 T41 | M1-K5 PolarHBondContact O-N 2.74Å; M1-K5 VanDerWaalsContact O-N 3.14Å; L2-K5 CarbonylContact O-C 3.49Å; L2-K5 PolarHBondContact O-N 3.16Å; K3-K5 VanDerWaalsContact C-N 3.34Å; K3-K5 PolarHBondContact O-N 3.23Å; K5-L7 HydrophobicContact CB-CB 4.42Å; K5-L7 HydrophobicContact CB-CD1 3.72Å; K5-L7 HydrophobicContact CB-CG 3.8Å; K5-L7 HydrophobicContact CD-CD1 3.72Å; K5-L7 HydrophobicContact CG-CD1 4.42Å; K5-L7 PolarHBondContact O-N 3.07Å; K5-T41 PolarHBondContact NZ-OG1 3.35Å |
| 6 | K | 87.4 | Confident | 87.1 | Confident | 172 Ų | 172 | 81 Ų | 81 | 75% | 0.748 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 24.5 | -171.6 | -56.2 | -177.5 | 177.9 | -178.5 | 0 | 114.2 | L2 K3 K4 | L2-K6 PolarHBondContact O-N 3.06Å; L2-K6 VanDerWaalsContact O-N 3.14Å; K3-K6 PolarHBondContact O-N 3.46Å; K3-K6 VanDerWaalsContact O-N 3.09Å; K4-K6 VanDerWaalsContact C-N 3.27Å |
| 7 | L | 90.8 | Very high | 87.1 | Confident | 5 Ų | 5 | 83.2 Ų | 83.2 | 3% | 0.026 | 40% | 0.402 | C | S | . | . | trans | -92.2 | -12.1 | 179.9 | -66.9 | 173 | 0 | 0 | 0 | 113.3 | L2 K5 K9 Y10 Q34 I37 A38 | L2-L7 HydrophobicContact CD2-CB 4.08Å; L2-L7 PolarHBondContact O-N 3.11Å; K5-L7 HydrophobicContact CB-CB 4.42Å; K5-L7 HydrophobicContact CB-CD1 3.72Å; K5-L7 HydrophobicContact CB-CG 3.8Å; K5-L7 HydrophobicContact CD-CD1 3.72Å; K5-L7 HydrophobicContact CG-CD1 4.42Å; K5-L7 PolarHBondContact O-N 3.07Å; L7-K9 PolarHBondContact O-N 3.44Å; L7-K9 VanDerWaalsContact O-N 3.14Å; L7-Y10 HydrophobicContact CD2-CD2 4.22Å; L7-Y10 HydrophobicContact CD2-CE2 4.33Å; L7-Y10 PolarHBondContact O-N 2.94Å; L7-Y10 VanDerWaalsContact O-N 3.11Å; L7-Q34 HydrophobicContact CD2-CB 4.41Å; L7-I37 HydrophobicContact CD1-CG2 3.71Å; L7-A38 HydrophobicContact CB-CB 4.11Å; L7-A38 HydrophobicContact CD1-CB 4.45Å | ||
| 8 | W | 91.1 | Very high | 86.9 | Confident | 67 Ų | 67 | 80.8 Ų | 80.8 | 25% | 0.254 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -56.2 | -32.9 | -176.3 | -178.9 | -105.2 | 0 | 0 | 0 | 113.2 | L2 K3 Y10 V11 D12 W64 | L2-W8 HydrophobicContact CB-CB 4.24Å; L2-W8 HydrophobicContact CB-CE3 4Å; L2-W8 HydrophobicContact CD1-CE3 3.73Å; L2-W8 HydrophobicContact CD1-CZ3 3.94Å; L2-W8 PolarHBondContact O-N 2.99Å; K3-W8 HydrophobicContact CG-CB 3.86Å; K3-W8 HydrophobicContact CG-CD2 4.37Å; K3-W8 HydrophobicContact CG-CG 3.87Å; W8-Y10 PolarHBondContact O-N 2.91Å; W8-V11 HydrophobicContact CE3-CB 4.34Å; W8-V11 HydrophobicContact CZ3-CB 4.47Å; W8-V11 HydrophobicContact CZ3-CG1 4.16Å; W8-V11 PolarHBondContact O-N 2.91Å; W8-D12 HydrophobicContact CD2-CB 4.47Å; W8-D12 HydrophobicContact CZ2-CB 3.91Å; W8-D12 PolarHBondContact NE1-OD2 3.13Å; W8-D12 PolarHBondContact O-N 3.26Å; W8-W64 HydrophobicContact CH2-CD2 4.25Å; W8-W64 AromaticContact CH2-CE2 3.59Å; W8-W64 HydrophobicContact CH2-CH2 4.21Å; W8-W64 AromaticContact CH2-CZ2 3.56Å; W8-W64 HydrophobicContact CH2-CZ2 3.56Å; W8-W64 AromaticContact CH2-NE1 3.84Å; W8-W64 HydrophobicContact CZ3-CD2 4.08Å; W8-W64 AromaticContact CZ3-CE2 3.8Å; W8-W64 HydrophobicContact CZ3-CE3 4.23Å; W8-W64 AromaticContact CZ3-CH2 3.9Å; W8-W64 HydrophobicContact CZ3-CH2 3.9Å; W8-W64 AromaticContact CZ3-CZ2 3.72Å; W8-W64 HydrophobicContact CZ3-CZ2 3.72Å; W8-W64 HydrophobicContact CZ3-CZ3 4.15Å |
| 9 | K | 89.9 | Confident | 86.8 | Confident | 90 Ų | 90 | 85.2 Ų | 85.2 | 39% | 0.391 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -62.5 | -22.7 | 179.8 | 64.6 | 176.9 | -178 | 162.5 | 0 | 115.1 | L7 D12 S14 T15 | L7-K9 PolarHBondContact O-N 3.44Å; L7-K9 VanDerWaalsContact O-N 3.14Å; K9-D12 WeakPolarHBondContact CA-OD1 3.46Å; K9-S14 WeakPolarHBondContact CA-OG 3.34Å; K9-S14 WeakPolarHBondContact CB-OG 3.47Å; K9-S14 PolarHBondContact O-OG 3.13Å; K9-S14 VanDerWaalsContact O-OG 3.13Å; K9-T15 WeakPolarHBondContact CB-OG1 3.2Å; K9-T15 WeakPolarHBondContact O-CB 3.41Å; K9-T15 PolarHBondContact O-N 2.97Å; K9-T15 PolarHBondContact O-OG1 3.08Å |
| 10 | Y | 89.7 | Confident | 86.7 | Confident | 32 Ų | 32 | 85.6 Ų | 85.6 | 13% | 0.125 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -87.2 | -11.6 | 175.2 | -57.2 | -79 | 0 | 0 | 0 | 112.4 | L7 W8 T15 F31 Q34 | L7-Y10 HydrophobicContact CD2-CD2 4.22Å; L7-Y10 HydrophobicContact CD2-CE2 4.33Å; L7-Y10 PolarHBondContact O-N 2.94Å; L7-Y10 VanDerWaalsContact O-N 3.11Å; W8-Y10 PolarHBondContact O-N 2.91Å; Y10-T15 HydrophobicContact CD1-CG2 4.25Å; Y10-T15 HydrophobicContact CE1-CG2 4.03Å; Y10-F31 AromaticContact CD1-CD2 3.77Å; Y10-F31 HydrophobicContact CD1-CD2 3.77Å; Y10-F31 AromaticContact CD1-CE2 3.62Å; Y10-F31 HydrophobicContact CD1-CE2 3.62Å; Y10-F31 HydrophobicContact CD1-CG 4.5Å; Y10-F31 HydrophobicContact CD1-CZ 4.23Å; Y10-F31 AromaticContact CE1-CD2 3.81Å; Y10-F31 HydrophobicContact CE1-CD2 3.81Å; Y10-F31 HydrophobicContact CE1-CE2 4.11Å; Y10-Q34 HydrophobicContact CD1-CB 4.3Å; Y10-Q34 HydrophobicContact CD2-CB 3.96Å; Y10-Q34 HydrophobicContact CE1-CB 3.92Å; Y10-Q34 HydrophobicContact CE2-CB 3.56Å; Y10-Q34 HydrophobicContact CE2-CG 4.1Å; Y10-Q34 HydrophobicContact CG-CB 4.33Å |
| 11 | V | 90.5 | Very high | 86.7 | Confident | 2 Ų | 2 | 85.1 Ų | 85.1 | 1% | 0.012 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -46.3 | -176.9 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | L2 W8 G13 A38 I42 A60 R61 W64 | L2-V11 HydrophobicContact CD1-CG1 4.42Å; L2-V11 HydrophobicContact CD1-CG2 4.04Å; L2-V11 HydrophobicContact CD2-CG2 4.28Å; W8-V11 HydrophobicContact CE3-CB 4.34Å; W8-V11 HydrophobicContact CZ3-CB 4.47Å; W8-V11 HydrophobicContact CZ3-CG1 4.16Å; W8-V11 PolarHBondContact O-N 2.91Å; V11-G13 PolarHBondContact O-N 2.97Å; V11-A38 HydrophobicContact CG2-CB 3.93Å; V11-I42 HydrophobicContact CG1-CD1 4.21Å; V11-I42 HydrophobicContact CG2-CD1 4.21Å; V11-A60 HydrophobicContact CG2-CB 3.95Å; V11-R61 PolarHBondContact O-NH1 3.46Å; V11-W64 HydrophobicContact CG1-CB 3.4Å; V11-W64 VanDerWaalsContact CG1-CB 3.4Å; V11-W64 HydrophobicContact CG1-CD2 3.92Å; V11-W64 HydrophobicContact CG1-CE3 4.22Å; V11-W64 HydrophobicContact CG1-CG 3.55Å |
| 12 | D | 89.3 | Confident | 86.7 | Confident | 66 Ų | 66 | 85.2 Ų | 85.2 | 35% | 0.353 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -71.2 | -14.8 | 179.8 | 67.4 | 4.3 | 0 | 0 | 0 | 114.1 | W8 K9 S14 R61 | W8-D12 HydrophobicContact CD2-CB 4.47Å; W8-D12 HydrophobicContact CZ2-CB 3.91Å; W8-D12 PolarHBondContact NE1-OD2 3.13Å; W8-D12 PolarHBondContact O-N 3.26Å; K9-D12 WeakPolarHBondContact CA-OD1 3.46Å; D12-S14 VanDerWaalsContact OD1-CB 3.29Å; D12-S14 WeakPolarHBondContact OD1-CB 3.5Å; D12-S14 PolarHBondContact OD1-N 3.41Å; D12-S14 PolarHBondContact OD1-OG 2.62Å; D12-R61 PolarHBondContact O-NH1 2.92Å |
| 13 | G | 82.1 | Confident | 86.3 | Confident | 24 Ų | 24 | 89.2 Ų | 89.2 | 25% | 0.247 | 47% | 0.473 | C | S | . | . | S | Bend | trans | 88.1 | 10 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | V11 T15 | V11-G13 PolarHBondContact O-N 2.97Å; G13-T15 PolarHBondContact O-N 3.47Å |
| 14 | S | 85.8 | Confident | 86.3 | Confident | 82 Ų | 82 | 83 Ų | 83 | 57% | 0.573 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -65.4 | -25.7 | 171.5 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | K9 D12 | K9-S14 WeakPolarHBondContact CA-OG 3.34Å; K9-S14 WeakPolarHBondContact CB-OG 3.47Å; K9-S14 PolarHBondContact O-OG 3.13Å; K9-S14 VanDerWaalsContact O-OG 3.13Å; D12-S14 VanDerWaalsContact OD1-CB 3.29Å; D12-S14 WeakPolarHBondContact OD1-CB 3.5Å; D12-S14 PolarHBondContact OD1-N 3.41Å; D12-S14 PolarHBondContact OD1-OG 2.62Å |
| 15 | T | 86.1 | Confident | 86.3 | Confident | 46 Ų | 46 | 78 Ų | 78 | 28% | 0.282 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -109.8 | 117.5 | 170.8 | -45.1 | 0 | 0 | 0 | 0 | 109 | K9 Y10 G13 F31 | K9-T15 WeakPolarHBondContact CB-OG1 3.2Å; K9-T15 WeakPolarHBondContact O-CB 3.41Å; K9-T15 PolarHBondContact O-N 2.97Å; K9-T15 PolarHBondContact O-OG1 3.08Å; Y10-T15 HydrophobicContact CD1-CG2 4.25Å; Y10-T15 HydrophobicContact CE1-CG2 4.03Å; G13-T15 PolarHBondContact O-N 3.47Å; T15-F31 HydrophobicContact CG2-CD2 4Å; T15-F31 HydrophobicContact CG2-CE2 3.84Å; T15-F31 WeakPolarHBondContact O-CE2 3.32Å |
| 16 | V | 84.7 | Confident | 86.1 | Confident | 120 Ų | 120 | 76.2 Ų | 76.2 | 73% | 0.727 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -92.7 | 142.7 | 178 | -175 | 0 | 0 | 0 | 0 | 109.4 | P18 | V16-P18 WeakPolarHBondContact O-CD 3.29Š|
| 17 | R | 85.9 | Confident | 85.9 | Confident | 118 Ų | 118 | 74 Ų | 74 | 45% | 0.445 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 124.6 | 174.7 | -173.1 | 174.2 | -174.9 | -102.4 | 2 | 109.6 | F31 D32 | R17-F31 HydrophobicContact CB-CD1 3.8Å; R17-F31 HydrophobicContact CB-CE1 3.51Å; R17-F31 HydrophobicContact CB-CE2 4.42Å; R17-F31 HydrophobicContact CB-CG 4.4Å; R17-F31 HydrophobicContact CB-CZ 3.86Å; R17-F31 HydrophobicContact CG-CD1 3.68Å; R17-F31 HydrophobicContact CG-CE1 3.87Å; R17-F31 HydrophobicContact CG-CG 4.34Å; R17-D32 IonicContact CZ-OD1 3.86Å; R17-D32 IonicContact CZ-OD2 3.69Å; R17-D32 IonicContact NE-OD1 2.69Å; R17-D32 PolarHBondContact NE-OD1 2.69Å; R17-D32 IonicContact NE-OD2 2.79Å; R17-D32 PolarHBondContact NE-OD2 3.2Å; R17-D32 IonicContact NH2-OD1 3.3Å; R17-D32 IonicContact NH2-OD2 3.69Å; R17-D32 PolarHBondContact NH2-OD2 3.41Å |
| 18 | P | 84.5 | Confident | 85.8 | Confident | 40 Ų | 40 | 74.3 Ų | 74.3 | 26% | 0.26 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 146.4 | 174.7 | -16.8 | 29.3 | 0 | 0 | 0 | 111.5 | V16 V28 | V16-P18 WeakPolarHBondContact O-CD 3.29Å; P18-V28 HydrophobicContact CB-CG2 4.04Å |
| 19 | E | 85 | Confident | 85.6 | Confident | 164 Ų | 164 | 76.4 Ų | 76.4 | 77% | 0.766 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 132.7 | 172.3 | -72.2 | -172.2 | 171.5 | 0 | 0 | 110.6 | T21 N24 | E19-T21 PolarHBondContact O-N 3.11Å; E19-N24 PolarHBondContact O-ND2 2.91Å; E19-N24 PolarHBondContact O-OD1 3.44Å |
| 20 | P | 83.8 | Confident | 85.5 | Confident | 94 Ų | 94 | 80.6 Ų | 80.6 | 61% | 0.61 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 116.6 | -176.4 | 26.1 | -31.8 | 0 | 0 | 0 | 112.1 | ||
| 21 | T | 86.7 | Confident | 85.6 | Confident | 75 Ų | 75 | 80.3 Ų | 80.3 | 46% | 0.46 | 46% | 0.457 | S | S | . | . | trans | -124.4 | 160.2 | 170.6 | 62.5 | 0 | 0 | 0 | 0 | 109.4 | E19 A23 N24 V25 | E19-T21 PolarHBondContact O-N 3.11Å; T21-A23 PolarHBondContact O-N 3.38Å; T21-A23 VanDerWaalsContact O-N 3.07Å; T21-N24 PolarHBondContact N-OD1 2.92Å; T21-N24 PolarHBondContact O-N 2.79Å; T21-N24 VanDerWaalsContact O-N 3.16Å; T21-N24 PolarHBondContact O-OD1 2.96Å; T21-N24 PolarHBondContact OG1-ND2 2.83Å; T21-N24 PolarHBondContact OG1-OD1 3.22Å; T21-N24 VanDerWaalsContact OG1-OD1 3.11Å; T21-V25 WeakPolarHBondContact O-CG2 3.46Å | ||
| 22 | S | 80.1 | Confident | 85.5 | Confident | 127 Ų | 127 | 82.5 Ų | 82.5 | 89% | 0.888 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -24.5 | 179.5 | 51.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 23 | A | 81.4 | Confident | 85.5 | Confident | 97 Ų | 97 | 83.8 Ų | 83.8 | 80% | 0.802 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -22.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T21 | T21-A23 PolarHBondContact O-N 3.38Å; T21-A23 VanDerWaalsContact O-N 3.07Å |
| 24 | N | 85.4 | Confident | 86 | Confident | 28 Ų | 28 | 85.7 Ų | 85.7 | 15% | 0.15 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | 15.2 | -170 | 73.9 | 2.4 | 0 | 0 | 0 | 114.5 | E19 T21 A26 E27 V28 | E19-N24 PolarHBondContact O-ND2 2.91Å; E19-N24 PolarHBondContact O-OD1 3.44Å; T21-N24 PolarHBondContact N-OD1 2.92Å; T21-N24 PolarHBondContact O-N 2.79Å; T21-N24 VanDerWaalsContact O-N 3.16Å; T21-N24 PolarHBondContact O-OD1 2.96Å; T21-N24 PolarHBondContact OG1-ND2 2.83Å; T21-N24 PolarHBondContact OG1-OD1 3.22Å; T21-N24 VanDerWaalsContact OG1-OD1 3.11Å; N24-A26 PolarHBondContact O-N 2.94Å; N24-A26 VanDerWaalsContact O-N 3.13Å; N24-E27 WeakPolarHBondContact O-CB 3.22Å; N24-E27 PolarHBondContact O-N 3.34Å; N24-V28 PolarHBondContact O-N 2.82Å |
| 25 | V | 83.6 | Confident | 86.2 | Confident | 88 Ų | 88 | 82.3 Ų | 82.3 | 53% | 0.533 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -49.8 | -42.8 | -179.3 | -178 | 0 | 0 | 0 | 0 | 112 | T21 E27 V28 Q29 | T21-V25 WeakPolarHBondContact O-CG2 3.46Å; V25-E27 VanDerWaalsContact C-N 3.35Å; V25-E27 PolarHBondContact O-N 3.14Å; V25-V28 PolarHBondContact O-N 3.34Å; V25-Q29 WeakPolarHBondContact O-CB 3.45Å; V25-Q29 PolarHBondContact O-N 3.11Å |
| 26 | A | 83.3 | Confident | 86.4 | Confident | 64 Ų | 64 | 86.4 Ų | 86.4 | 53% | 0.529 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.1 | -31.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N24 R30 | N24-A26 PolarHBondContact O-N 2.94Å; N24-A26 VanDerWaalsContact O-N 3.13Å; A26-R30 WeakPolarHBondContact O-CB 3.45Å; A26-R30 VanDerWaalsContact O-CG 3.31Å; A26-R30 WeakPolarHBondContact O-CG 3.36Å; A26-R30 PolarHBondContact O-N 3.22Å; A26-R30 VanDerWaalsContact O-N 3.11Å |
| 27 | E | 85.1 | Confident | 86.7 | Confident | 126 Ų | 126 | 84.4 Ų | 84.4 | 59% | 0.589 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -75.8 | -40.6 | 177.9 | -64.6 | -173 | 160.3 | 0 | 0 | 111.5 | N24 V25 R30 F31 | N24-E27 WeakPolarHBondContact O-CB 3.22Å; N24-E27 PolarHBondContact O-N 3.34Å; V25-E27 VanDerWaalsContact C-N 3.35Å; V25-E27 PolarHBondContact O-N 3.14Å; E27-R30 PolarHBondContact O-N 2.95Å; E27-F31 PolarHBondContact O-N 3.08Å |
| 28 | V | 87.6 | Confident | 87 | Confident | 11 Ų | 11 | 78.8 Ų | 78.8 | 7% | 0.067 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 173.6 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | P18 N24 V25 R30 F31 D32 | P18-V28 HydrophobicContact CB-CG2 4.04Å; N24-V28 PolarHBondContact O-N 2.82Å; V25-V28 PolarHBondContact O-N 3.34Å; V28-R30 VanDerWaalsContact C-N 3.33Å; V28-R30 PolarHBondContact O-N 3.35Å; V28-F31 WeakPolarHBondContact O-CB 3.38Å; V28-F31 PolarHBondContact O-N 2.86Å; V28-F31 VanDerWaalsContact O-N 3.08Å; V28-D32 PolarHBondContact O-N 3.29Å |
| 29 | Q | 87.4 | Confident | 87.3 | Confident | 111 Ų | 111 | 78.8 Ų | 78.8 | 52% | 0.519 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 178.1 | -170.9 | 175.3 | 3.1 | 0 | 0 | 111.9 | V25 F31 D32 E33 | V25-Q29 WeakPolarHBondContact O-CB 3.45Å; V25-Q29 PolarHBondContact O-N 3.11Å; Q29-F31 VanDerWaalsContact C-N 3.35Å; Q29-F31 PolarHBondContact O-N 3.49Å; Q29-D32 PolarHBondContact O-N 3.21Å; Q29-E33 WeakPolarHBondContact O-CB 3.48Å; Q29-E33 WeakPolarHBondContact O-CG 3.31Å; Q29-E33 PolarHBondContact O-N 2.85Å |
| 30 | R | 88.3 | Confident | 87.5 | Confident | 178 Ų | 178 | 73.4 Ų | 73.4 | 67% | 0.672 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63.8 | -37.7 | 174.2 | -79.9 | 178.3 | 178.9 | 178.9 | 2.8 | 112.9 | A26 E27 V28 Q34 | A26-R30 WeakPolarHBondContact O-CB 3.45Å; A26-R30 VanDerWaalsContact O-CG 3.31Å; A26-R30 WeakPolarHBondContact O-CG 3.36Å; A26-R30 PolarHBondContact O-N 3.22Å; A26-R30 VanDerWaalsContact O-N 3.11Å; E27-R30 PolarHBondContact O-N 2.95Å; V28-R30 VanDerWaalsContact C-N 3.33Å; V28-R30 PolarHBondContact O-N 3.35Å; R30-Q34 VanDerWaalsContact O-CG 3.22Å; R30-Q34 WeakPolarHBondContact O-CG 3.33Å; R30-Q34 PolarHBondContact O-N 2.62Å |
| 31 | F | 90.8 | Very high | 87.8 | Confident | 25 Ų | 25 | 69.5 Ų | 69.5 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.9 | -48.3 | 175.3 | -179.5 | -81.6 | 0 | 0 | 0 | 110.6 | Y10 T15 R17 E27 V28 Q29 Q34 S35 | Y10-F31 AromaticContact CD1-CD2 3.77Å; Y10-F31 HydrophobicContact CD1-CD2 3.77Å; Y10-F31 AromaticContact CD1-CE2 3.62Å; Y10-F31 HydrophobicContact CD1-CE2 3.62Å; Y10-F31 HydrophobicContact CD1-CG 4.5Å; Y10-F31 HydrophobicContact CD1-CZ 4.23Å; Y10-F31 AromaticContact CE1-CD2 3.81Å; Y10-F31 HydrophobicContact CE1-CD2 3.81Å; Y10-F31 HydrophobicContact CE1-CE2 4.11Å; T15-F31 HydrophobicContact CG2-CD2 4Å; T15-F31 HydrophobicContact CG2-CE2 3.84Å; T15-F31 WeakPolarHBondContact O-CE2 3.32Å; R17-F31 HydrophobicContact CB-CD1 3.8Å; R17-F31 HydrophobicContact CB-CE1 3.51Å; R17-F31 HydrophobicContact CB-CE2 4.42Å; R17-F31 HydrophobicContact CB-CG 4.4Å; R17-F31 HydrophobicContact CB-CZ 3.86Å; R17-F31 HydrophobicContact CG-CD1 3.68Å; R17-F31 HydrophobicContact CG-CE1 3.87Å; R17-F31 HydrophobicContact CG-CG 4.34Å; E27-F31 PolarHBondContact O-N 3.08Å; V28-F31 WeakPolarHBondContact O-CB 3.38Å; V28-F31 PolarHBondContact O-N 2.86Å; V28-F31 VanDerWaalsContact O-N 3.08Å; Q29-F31 VanDerWaalsContact C-N 3.35Å; Q29-F31 PolarHBondContact O-N 3.49Å; F31-Q34 PolarHBondContact O-N 3.45Å; F31-S35 WeakPolarHBondContact O-CB 3.47Å; F31-S35 PolarHBondContact O-N 3.35Å |
| 32 | D | 88.5 | Confident | 88 | Confident | 49 Ų | 49 | 66.4 Ų | 66.4 | 26% | 0.262 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | -177.5 | -68.5 | -17.6 | 0 | 0 | 0 | 110.7 | R17 V28 Q29 Q34 S35 E36 | R17-D32 IonicContact CZ-OD1 3.86Å; R17-D32 IonicContact CZ-OD2 3.69Å; R17-D32 IonicContact NE-OD1 2.69Å; R17-D32 PolarHBondContact NE-OD1 2.69Å; R17-D32 IonicContact NE-OD2 2.79Å; R17-D32 PolarHBondContact NE-OD2 3.2Å; R17-D32 IonicContact NH2-OD1 3.3Å; R17-D32 IonicContact NH2-OD2 3.69Å; R17-D32 PolarHBondContact NH2-OD2 3.41Å; V28-D32 PolarHBondContact O-N 3.29Å; Q29-D32 PolarHBondContact O-N 3.21Å; D32-Q34 PolarHBondContact O-N 3.05Å; D32-S35 WeakPolarHBondContact O-CB 3.46Å; D32-S35 PolarHBondContact O-N 3.09Å; D32-E36 WeakPolarHBondContact O-CG 3.44Å; D32-E36 PolarHBondContact O-N 3.19Å |
| 33 | E | 89.7 | Confident | 88.3 | Confident | 92 Ų | 92 | 62.4 Ų | 62.4 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.4 | -44.1 | 174.2 | -75.6 | 174.4 | -171.5 | 0 | 0 | 112.6 | Q29 I37 | Q29-E33 WeakPolarHBondContact O-CB 3.48Å; Q29-E33 WeakPolarHBondContact O-CG 3.31Å; Q29-E33 PolarHBondContact O-N 2.85Å; E33-I37 WeakPolarHBondContact O-CD1 3.4Å; E33-I37 WeakPolarHBondContact O-CG1 3.38Å; E33-I37 PolarHBondContact O-N 3.19Å |
| 34 | Q | 91.1 | Very high | 88.6 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 30% | 0.304 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -72 | -34.8 | 179.6 | -65.7 | -61.8 | -43.7 | 0 | 0 | 112.3 | L7 Y10 R30 F31 D32 A38 | L7-Q34 HydrophobicContact CD2-CB 4.41Å; Y10-Q34 HydrophobicContact CD1-CB 4.3Å; Y10-Q34 HydrophobicContact CD2-CB 3.96Å; Y10-Q34 HydrophobicContact CE1-CB 3.92Å; Y10-Q34 HydrophobicContact CE2-CB 3.56Å; Y10-Q34 HydrophobicContact CE2-CG 4.1Å; Y10-Q34 HydrophobicContact CG-CB 4.33Å; R30-Q34 VanDerWaalsContact O-CG 3.22Å; R30-Q34 WeakPolarHBondContact O-CG 3.33Å; R30-Q34 PolarHBondContact O-N 2.62Å; F31-Q34 PolarHBondContact O-N 3.45Å; D32-Q34 PolarHBondContact O-N 3.05Å; Q34-A38 WeakPolarHBondContact O-CB 3.5Å; Q34-A38 PolarHBondContact O-N 3.14Å |
| 35 | S | 91.1 | Very high | 88.7 | Confident | 11 Ų | 11 | 66.7 Ų | 66.7 | 8% | 0.077 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 173.4 | -172.6 | 0 | 0 | 0 | 0 | 110.6 | F31 D32 I37 A38 Q39 A60 | F31-S35 WeakPolarHBondContact O-CB 3.47Å; F31-S35 PolarHBondContact O-N 3.35Å; D32-S35 WeakPolarHBondContact O-CB 3.46Å; D32-S35 PolarHBondContact O-N 3.09Å; S35-I37 PolarHBondContact O-N 3.14Å; S35-A38 WeakPolarHBondContact O-CA 3.5Å; S35-A38 WeakPolarHBondContact O-CB 3.42Å; S35-A38 PolarHBondContact O-N 3.35Å; S35-A38 VanDerWaalsContact O-N 3.12Å; S35-Q39 WeakPolarHBondContact O-CB 3.47Å; S35-Q39 PolarHBondContact O-N 2.96Å; S35-A60 WeakPolarHBondContact O-CB 3.46Å |
| 36 | E | 89.9 | Confident | 88.8 | Confident | 131 Ų | 131 | 64.1 Ų | 64.1 | 61% | 0.612 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.1 | -43.8 | 175.9 | -75.9 | -176.8 | 178.1 | 0 | 0 | 112.3 | D32 A38 Q39 A40 | D32-E36 WeakPolarHBondContact O-CG 3.44Å; D32-E36 PolarHBondContact O-N 3.19Å; E36-A38 VanDerWaalsContact C-N 3.27Å; E36-A38 PolarHBondContact O-N 3.05Å; E36-Q39 WeakPolarHBondContact O-CB 3.3Å; E36-Q39 PolarHBondContact O-N 3.5Å; E36-A40 WeakPolarHBondContact O-CB 3.43Å; E36-A40 PolarHBondContact O-N 3.44Å |
| 37 | I | 90.9 | Very high | 88.8 | Confident | 79 Ų | 79 | 67.1 Ų | 67.1 | 41% | 0.405 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.4 | -38 | 175.8 | -65.2 | 164.3 | 0 | 0 | 0 | 110.7 | L7 E33 S35 T41 | L7-I37 HydrophobicContact CD1-CG2 3.71Å; E33-I37 WeakPolarHBondContact O-CD1 3.4Å; E33-I37 WeakPolarHBondContact O-CG1 3.38Å; E33-I37 PolarHBondContact O-N 3.19Å; S35-I37 PolarHBondContact O-N 3.14Å; I37-T41 VanDerWaalsContact O-CB 3.27Å; I37-T41 WeakPolarHBondContact O-CB 3.35Å; I37-T41 PolarHBondContact O-N 3.14Å; I37-T41 PolarHBondContact O-OG1 2.89Å |
| 38 | A | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L2 L7 V11 Q34 S35 E36 T41 I42 A60 | L2-A38 HydrophobicContact CD2-CB 4.15Å; L7-A38 HydrophobicContact CB-CB 4.11Å; L7-A38 HydrophobicContact CD1-CB 4.45Å; V11-A38 HydrophobicContact CG2-CB 3.93Å; Q34-A38 WeakPolarHBondContact O-CB 3.5Å; Q34-A38 PolarHBondContact O-N 3.14Å; S35-A38 WeakPolarHBondContact O-CA 3.5Å; S35-A38 WeakPolarHBondContact O-CB 3.42Å; S35-A38 PolarHBondContact O-N 3.35Å; S35-A38 VanDerWaalsContact O-N 3.12Å; E36-A38 VanDerWaalsContact C-N 3.27Å; E36-A38 PolarHBondContact O-N 3.05Å; A38-T41 WeakPolarHBondContact O-CB 3.4Å; A38-T41 PolarHBondContact O-N 3.2Å; A38-I42 WeakPolarHBondContact O-CG1 3.43Å; A38-I42 PolarHBondContact O-N 3.38Å; A38-A60 HydrophobicContact CB-CB 3.7Å |
| 39 | Q | 90.6 | Very high | 88.3 | Confident | 40 Ų | 40 | 70.6 Ų | 70.6 | 19% | 0.187 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.3 | -53.1 | 177.9 | -172.1 | 177.2 | 2.3 | 0 | 0 | 111.5 | S35 E36 T41 I42 V43 C57 A60 V63 | S35-Q39 WeakPolarHBondContact O-CB 3.47Å; S35-Q39 PolarHBondContact O-N 2.96Å; E36-Q39 WeakPolarHBondContact O-CB 3.3Å; E36-Q39 PolarHBondContact O-N 3.5Å; Q39-T41 PolarHBondContact O-N 3.13Å; Q39-I42 WeakPolarHBondContact O-CA 3.49Å; Q39-I42 WeakPolarHBondContact O-CB 3.44Å; Q39-I42 PolarHBondContact O-N 3.16Å; Q39-V43 WeakPolarHBondContact O-CG2 3.2Å; Q39-V43 PolarHBondContact O-N 3.12Å; Q39-C57 PolarHBondContact NE2-O 3.19Å; Q39-A60 HydrophobicContact CB-CB 3.87Å; Q39-V63 HydrophobicContact CG-CG2 3.82Å |
| 40 | A | 89.3 | Confident | 88 | Confident | 50 Ų | 50 | 67.2 Ų | 67.2 | 41% | 0.413 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.4 | -36 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E36 I42 V43 L44 | E36-A40 WeakPolarHBondContact O-CB 3.43Å; E36-A40 PolarHBondContact O-N 3.44Å; A40-I42 VanDerWaalsContact C-N 3.32Å; A40-I42 PolarHBondContact O-N 3.12Å; A40-V43 PolarHBondContact O-N 2.99Å; A40-L44 WeakPolarHBondContact O-CB 3.42Å; A40-L44 VanDerWaalsContact O-CG 3.24Å; A40-L44 WeakPolarHBondContact O-CG 3.5Å; A40-L44 PolarHBondContact O-N 2.91Å |
| 41 | T | 91.2 | Very high | 87.7 | Confident | 13 Ų | 13 | 62.9 Ų | 62.9 | 8% | 0.08 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.4 | -32.1 | 175.1 | -61.7 | 0 | 0 | 0 | 0 | 112.5 | M1 L2 K5 I37 A38 Q39 A45 | M1-T41 HydrophobicContact CB-CG2 4.3Å; L2-T41 HydrophobicContact CD2-CG2 4.21Å; K5-T41 PolarHBondContact NZ-OG1 3.35Å; I37-T41 VanDerWaalsContact O-CB 3.27Å; I37-T41 WeakPolarHBondContact O-CB 3.35Å; I37-T41 PolarHBondContact O-N 3.14Å; I37-T41 PolarHBondContact O-OG1 2.89Å; A38-T41 WeakPolarHBondContact O-CB 3.4Å; A38-T41 PolarHBondContact O-N 3.2Å; Q39-T41 PolarHBondContact O-N 3.13Å; T41-A45 WeakPolarHBondContact O-CB 3.28Å |
| 42 | I | 90.4 | Very high | 87.3 | Confident | 9 Ų | 9 | 67.7 Ų | 67.7 | 5% | 0.046 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -74.8 | -47.9 | 174.4 | -63 | 162.5 | 0 | 0 | 0 | 110.2 | L2 V11 A38 Q39 A40 L44 A45 I46 A60 V63 W64 L67 | L2-I42 HydrophobicContact CD1-CD1 4.11Å; L2-I42 HydrophobicContact CD1-CG1 3.91Å; L2-I42 HydrophobicContact CD2-CG1 4.29Å; V11-I42 HydrophobicContact CG1-CD1 4.21Å; V11-I42 HydrophobicContact CG2-CD1 4.21Å; A38-I42 WeakPolarHBondContact O-CG1 3.43Å; A38-I42 PolarHBondContact O-N 3.38Å; Q39-I42 WeakPolarHBondContact O-CA 3.49Å; Q39-I42 WeakPolarHBondContact O-CB 3.44Å; Q39-I42 PolarHBondContact O-N 3.16Å; A40-I42 VanDerWaalsContact C-N 3.32Å; A40-I42 PolarHBondContact O-N 3.12Å; I42-L44 PolarHBondContact O-N 2.84Å; I42-A45 WeakPolarHBondContact O-CA 3.35Å; I42-A45 WeakPolarHBondContact O-CB 2.93Å; I42-A45 PolarHBondContact O-N 3.2Å; I42-I46 PolarHBondContact O-N 3.44Å; I42-A60 HydrophobicContact CD1-CB 4.34Å; I42-V63 HydrophobicContact CB-CG1 4.12Å; I42-V63 HydrophobicContact CD1-CG1 4.42Å; I42-V63 HydrophobicContact CG2-CG1 3.52Å; I42-W64 HydrophobicContact CD1-CE3 4.17Å; I42-W64 HydrophobicContact CG1-CE3 4.45Å; I42-L67 HydrophobicContact CG2-CD1 3.7Å |
| 43 | V | 87.2 | Confident | 86.8 | Confident | 44 Ų | 44 | 68.6 Ų | 68.6 | 27% | 0.267 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | -179 | 176 | 0 | 0 | 0 | 0 | 111.5 | Q39 A40 A45 I46 | Q39-V43 WeakPolarHBondContact O-CG2 3.2Å; Q39-V43 PolarHBondContact O-N 3.12Å; A40-V43 PolarHBondContact O-N 2.99Å; V43-A45 PolarHBondContact O-N 3.37Å; V43-A45 VanDerWaalsContact O-N 3.12Å; V43-I46 WeakPolarHBondContact O-CG1 3.34Å; V43-I46 PolarHBondContact O-N 3.06Å |
| 44 | L | 87.5 | Confident | 86.7 | Confident | 153 Ų | 153 | 64.5 Ų | 64.5 | 80% | 0.801 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -10.1 | 174.7 | -70.1 | 171.9 | 0 | 0 | 0 | 114.2 | A40 I42 | A40-L44 WeakPolarHBondContact O-CB 3.42Å; A40-L44 VanDerWaalsContact O-CG 3.24Å; A40-L44 WeakPolarHBondContact O-CG 3.5Å; A40-L44 PolarHBondContact O-N 2.91Å; I42-L44 PolarHBondContact O-N 2.84Å |
| 45 | A | 86.5 | Confident | 86.3 | Confident | 61 Ų | 61 | 71.9 Ų | 71.9 | 50% | 0.504 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -11.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | M1 T41 I42 V43 | M1-A45 HydrophobicContact CE-CB 3.76Å; T41-A45 WeakPolarHBondContact O-CB 3.28Å; I42-A45 WeakPolarHBondContact O-CA 3.35Å; I42-A45 WeakPolarHBondContact O-CB 2.93Å; I42-A45 PolarHBondContact O-N 3.2Å; V43-A45 PolarHBondContact O-N 3.37Å; V43-A45 VanDerWaalsContact O-N 3.12Å |
| 46 | I | 85.3 | Confident | 85.9 | Confident | 34 Ų | 34 | 77.3 Ų | 77.3 | 17% | 0.174 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -90.1 | 155.5 | 175.8 | 57.7 | 171.9 | 0 | 0 | 0 | 110.8 | I42 V43 E51 V54 L67 | I42-I46 PolarHBondContact O-N 3.44Å; V43-I46 WeakPolarHBondContact O-CG1 3.34Å; V43-I46 PolarHBondContact O-N 3.06Å; I46-E51 HydrophobicContact CD1-CB 4.46Å; I46-E51 HydrophobicContact CD1-CG 3.93Å; I46-E51 HydrophobicContact CG1-CG 4.21Å; I46-V54 HydrophobicContact CD1-CG2 3.5Å; I46-V54 VanDerWaalsContact CD1-CG2 3.5Å; I46-L67 HydrophobicContact CG2-CD1 3.88Å; I46-L67 HydrophobicContact CG2-CD2 4.31Å |
| 47 | E | 83.7 | Confident | 85.8 | Confident | 128 Ų | 128 | 71.8 Ų | 71.8 | 60% | 0.598 | 37% | 0.373 | S | S | * | . | trans | -71.1 | 142.2 | 174.9 | -173.7 | 176.4 | -162.4 | 0 | 0 | 109.8 | L49 Q50 | E47-L49 PolarHBondContact O-N 2.85Å; E47-Q50 HydrophobicContact CB-CG 4.3Å; E47-Q50 WeakPolarHBondContact O-CB 3.43Å; E47-Q50 PolarHBondContact O-N 2.9Å | ||
| 48 | P | 81.8 | Confident | 85.4 | Confident | 97 Ų | 97 | 76.8 Ų | 76.8 | 63% | 0.63 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -53.1 | -33.1 | -174.8 | -29.7 | 35.4 | 0 | 0 | 0 | 114.4 | Q50 E51 | P48-Q50 PolarHBondContact O-N 3.49Å; P48-E51 WeakPolarHBondContact O-CB 3.46Å; P48-E51 PolarHBondContact O-N 3.04Å |
| 49 | L | 80.5 | Confident | 85.2 | Confident | 113 Ų | 113 | 78.1 Ų | 78.1 | 59% | 0.592 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -64.6 | -25.8 | 177.4 | -172 | 62.7 | 0 | 0 | 0 | 113.1 | E47 Q52 | E47-L49 PolarHBondContact O-N 2.85Å; L49-Q52 WeakPolarHBondContact O-CG 3.21Å; L49-Q52 PolarHBondContact O-NE2 2.89Å |
| 50 | Q | 81.6 | Confident | 85.1 | Confident | 40 Ų | 40 | 76.2 Ų | 76.2 | 19% | 0.187 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -90.3 | -9.7 | -179.7 | -47.8 | -51.4 | -23.8 | 0 | 0 | 112.9 | E47 P48 Q52 H53 F71 | E47-Q50 HydrophobicContact CB-CG 4.3Å; E47-Q50 WeakPolarHBondContact O-CB 3.43Å; E47-Q50 PolarHBondContact O-N 2.9Å; P48-Q50 PolarHBondContact O-N 3.49Å; Q50-Q52 PolarHBondContact O-N 3.13Å; Q50-H53 WeakPolarHBondContact O-CB 3.4Å; Q50-H53 PolarHBondContact O-N 3.49Å; Q50-H53 PolarHBondContact OE1-CD2 2.98Å; Q50-H53 VanDerWaalsContact OE1-CD2 3.3Å; Q50-H53 PolarHBondContact OE1-NE2 3.26Å; Q50-F71 HydrophobicContact CB-CZ 4.21Å; Q50-F71 HydrophobicContact CG-CZ 3.85Å; Q50-F71 VanDerWaalsContact OE1-CZ 3.29Å |
| 51 | E | 81.9 | Confident | 85.1 | Confident | 87 Ų | 87 | 78.6 Ų | 78.6 | 41% | 0.407 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.9 | -31.9 | 177.1 | -70.2 | -179.9 | 177.9 | 0 | 0 | 112 | I46 P48 H53 V54 R55 | I46-E51 HydrophobicContact CD1-CB 4.46Å; I46-E51 HydrophobicContact CD1-CG 3.93Å; I46-E51 HydrophobicContact CG1-CG 4.21Å; P48-E51 WeakPolarHBondContact O-CB 3.46Å; P48-E51 PolarHBondContact O-N 3.04Å; E51-H53 PolarHBondContact O-N 3.23Å; E51-H53 VanDerWaalsContact O-N 3.14Å; E51-V54 WeakPolarHBondContact O-CG2 3.49Å; E51-V54 PolarHBondContact O-N 2.86Å; E51-R55 PolarHBondContact O-N 2.94Å; E51-R55 VanDerWaalsContact O-N 3.09Å |
| 52 | Q | 81.6 | Confident | 85 | Confident | 125 Ų | 125 | 81.3 Ų | 81.3 | 58% | 0.584 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -56.3 | -29.9 | 175.7 | 69.8 | -174.6 | -15.3 | 0 | 0 | 113.3 | L49 Q50 V54 | L49-Q52 WeakPolarHBondContact O-CG 3.21Å; L49-Q52 PolarHBondContact O-NE2 2.89Å; Q50-Q52 PolarHBondContact O-N 3.13Å; Q52-V54 VanDerWaalsContact C-N 3.31Å; Q52-V54 PolarHBondContact O-N 3.32Å |
| 53 | H | 78.9 | Confident | 84.9 | Confident | 69 Ų | 69 | 80.9 Ų | 80.9 | 32% | 0.319 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -72.5 | -27.8 | -179.6 | -68.1 | -62.3 | 0 | 0 | 0 | 112.2 | Q50 E51 K66 | Q50-H53 WeakPolarHBondContact O-CB 3.4Å; Q50-H53 PolarHBondContact O-N 3.49Å; Q50-H53 PolarHBondContact OE1-CD2 2.98Å; Q50-H53 VanDerWaalsContact OE1-CD2 3.3Å; Q50-H53 PolarHBondContact OE1-NE2 3.26Å; E51-H53 PolarHBondContact O-N 3.23Å; E51-H53 VanDerWaalsContact O-N 3.14Å; H53-K66 WeakPolarHBondContact O-CD 3.49Å; H53-K66 WeakPolarHBondContact O-CE 3.41Å; H53-K66 PolarHBondContact O-NZ 3.38Å |
| 54 | V | 86.9 | Confident | 85.1 | Confident | 6 Ų | 6 | 83.3 Ų | 83.3 | 4% | 0.036 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -112.7 | -2.9 | -168.9 | -62.1 | 0 | 0 | 0 | 0 | 113.7 | I46 E51 Q52 D56 C57 V63 L67 | I46-V54 HydrophobicContact CD1-CG2 3.5Å; I46-V54 VanDerWaalsContact CD1-CG2 3.5Å; E51-V54 WeakPolarHBondContact O-CG2 3.49Å; E51-V54 PolarHBondContact O-N 2.86Å; Q52-V54 VanDerWaalsContact C-N 3.31Å; Q52-V54 PolarHBondContact O-N 3.32Å; V54-D56 VanDerWaalsContact C-N 3.26Å; V54-D56 PolarHBondContact O-N 3.07Å; V54-C57 WeakPolarHBondContact O-CB 3.36Å; V54-C57 PolarHBondContact O-N 2.93Å; V54-C57 PolarHBondContact O-SG 3.5Å; V54-V63 HydrophobicContact CB-CG1 4.01Å; V54-V63 HydrophobicContact CB-CG2 4.22Å; V54-V63 HydrophobicContact CG1-CB 4.49Å; V54-V63 HydrophobicContact CG1-CG1 3.81Å; V54-L67 HydrophobicContact CG1-CD1 4.27Å; V54-L67 HydrophobicContact CG1-CD2 3.75Å; V54-L67 HydrophobicContact CG1-CG 3.71Å |
| 55 | R | 83 | Confident | 85.1 | Confident | 219 Ų | 219 | 79.8 Ų | 79.8 | 83% | 0.826 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -39.6 | -176.4 | -169.2 | 179.4 | -173.8 | -180 | 1.4 | 114.1 | E51 C57 | E51-R55 PolarHBondContact O-N 2.94Å; E51-R55 VanDerWaalsContact O-N 3.09Å; R55-C57 VanDerWaalsContact C-N 3.35Å |
| 56 | D | 83.7 | Confident | 85.2 | Confident | 126 Ų | 126 | 81 Ų | 81 | 67% | 0.674 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 9.5 | -176.3 | -42.4 | -46.2 | 0 | 0 | 0 | 113.6 | V54 | V54-D56 VanDerWaalsContact C-N 3.26Å; V54-D56 PolarHBondContact O-N 3.07Å |
| 57 | C | 86.4 | Confident | 85.3 | Confident | 14 Ų | 14 | 80.5 Ų | 80.5 | 10% | 0.095 | 38% | 0.382 | C | S | . | . | trans | -85.7 | 129.7 | -179.3 | -59.8 | 0 | 0 | 0 | 0 | 110.4 | Q39 V54 R55 D62 V63 K66 | Q39-C57 PolarHBondContact NE2-O 3.19Å; V54-C57 WeakPolarHBondContact O-CB 3.36Å; V54-C57 PolarHBondContact O-N 2.93Å; V54-C57 PolarHBondContact O-SG 3.5Å; R55-C57 VanDerWaalsContact C-N 3.35Å; C57-D62 HydrophobicContact CB-CB 3.99Å; C57-V63 HydrophobicContact CB-CB 4.35Å; C57-V63 HydrophobicContact CB-CG2 3.39Å; C57-K66 WeakPolarHBondContact SG-CD 2.95Å | ||
| 58 | E | 84.2 | Confident | 85.3 | Confident | 184 Ų | 184 | 77.1 Ų | 77.1 | 86% | 0.86 | 37% | 0.366 | S | S | * | . | trans | -89.8 | -20.3 | -178.4 | -63 | -177.2 | 169.8 | 0 | 0 | 113.2 | ||||
| 59 | S | 86.6 | Confident | 85.2 | Confident | 28 Ų | 28 | 75.7 Ų | 75.7 | 20% | 0.196 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -126.3 | 154.4 | -179.6 | 80.2 | 0 | 0 | 0 | 0 | 112.9 | R61 D62 V63 | S59-R61 PolarHBondContact O-N 2.64Å; S59-D62 WeakPolarHBondContact CB-OD2 3.38Å; S59-D62 PolarHBondContact O-N 3.29Å; S59-D62 VanDerWaalsContact O-N 3.13Å; S59-D62 PolarHBondContact OG-N 2.71Å; S59-D62 VanDerWaalsContact OG-N 3.08Å; S59-D62 PolarHBondContact OG-OD2 3.3Å; S59-V63 WeakPolarHBondContact O-CG2 3.45Å; S59-V63 PolarHBondContact O-N 2.95Å |
| 60 | A | 88.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.2 | -31.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V11 S35 A38 Q39 I42 W64 | V11-A60 HydrophobicContact CG2-CB 3.95Å; S35-A60 WeakPolarHBondContact O-CB 3.46Å; A38-A60 HydrophobicContact CB-CB 3.7Å; Q39-A60 HydrophobicContact CB-CB 3.87Å; I42-A60 HydrophobicContact CD1-CB 4.34Å; A60-W64 PolarHBondContact O-N 3.48Å; A60-W64 VanDerWaalsContact O-N 3.12Å |
| 61 | R | 88.9 | Confident | 85 | Confident | 100 Ų | 100 | 75.6 Ų | 75.6 | 38% | 0.377 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.3 | -46.1 | 175.2 | 177.3 | 175.7 | -178 | 81.8 | -12.1 | 111 | V11 D12 S59 V63 W64 L65 | V11-R61 PolarHBondContact O-NH1 3.46Å; D12-R61 PolarHBondContact O-NH1 2.92Å; S59-R61 PolarHBondContact O-N 2.64Å; R61-V63 PolarHBondContact O-N 2.9Å; R61-W64 PolarHBondContact O-N 3.24Å; R61-W64 VanDerWaalsContact O-N 3.16Å; R61-L65 HydrophobicContact CG-CD1 3.97Å; R61-L65 HydrophobicContact CG-CG 4.41Å; R61-L65 WeakPolarHBondContact O-CG 3.45Å; R61-L65 PolarHBondContact O-N 3.49Å |
| 62 | D | 88.7 | Confident | 84.6 | Confident | 70 Ų | 70 | 74.4 Ų | 74.4 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 179.4 | -59.3 | -36.2 | 0 | 0 | 0 | 111.4 | C57 S59 W64 L65 K66 | C57-D62 HydrophobicContact CB-CB 3.99Å; S59-D62 WeakPolarHBondContact CB-OD2 3.38Å; S59-D62 PolarHBondContact O-N 3.29Å; S59-D62 VanDerWaalsContact O-N 3.13Å; S59-D62 PolarHBondContact OG-N 2.71Å; S59-D62 VanDerWaalsContact OG-N 3.08Å; S59-D62 PolarHBondContact OG-OD2 3.3Å; D62-W64 VanDerWaalsContact C-N 3.29Å; D62-W64 PolarHBondContact O-N 2.95Å; D62-L65 PolarHBondContact O-N 3.08Å; D62-K66 VanDerWaalsContact O-CB 3.28Å; D62-K66 WeakPolarHBondContact O-CB 3.31Å; D62-K66 PolarHBondContact O-N 2.71Å |
| 63 | V | 89.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -54.5 | -48.1 | 172 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | Q39 I42 V54 C57 S59 R61 K66 L67 | Q39-V63 HydrophobicContact CG-CG2 3.82Å; I42-V63 HydrophobicContact CB-CG1 4.12Å; I42-V63 HydrophobicContact CD1-CG1 4.42Å; I42-V63 HydrophobicContact CG2-CG1 3.52Å; V54-V63 HydrophobicContact CB-CG1 4.01Å; V54-V63 HydrophobicContact CB-CG2 4.22Å; V54-V63 HydrophobicContact CG1-CB 4.49Å; V54-V63 HydrophobicContact CG1-CG1 3.81Å; C57-V63 HydrophobicContact CB-CB 4.35Å; C57-V63 HydrophobicContact CB-CG2 3.39Å; S59-V63 WeakPolarHBondContact O-CG2 3.45Å; S59-V63 PolarHBondContact O-N 2.95Å; R61-V63 PolarHBondContact O-N 2.9Å; V63-K66 PolarHBondContact O-N 3.06Å; V63-L67 HydrophobicContact CG1-CD1 4.03Å; V63-L67 VanDerWaalsContact O-CG 3.25Å; V63-L67 WeakPolarHBondContact O-CG 3.16Å; V63-L67 PolarHBondContact O-N 3.14Å |
| 64 | W | 90.9 | Very high | 83.9 | Confident | 96 Ų | 96 | 73.6 Ų | 73.6 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.8 | -45.8 | -179.3 | -170.6 | -89.2 | 0 | 0 | 0 | 112.7 | L2 W8 V11 I42 A60 R61 D62 K66 L67 E68 | L2-W64 HydrophobicContact CD1-CE3 4.28Å; L2-W64 HydrophobicContact CD1-CZ3 4.16Å; W8-W64 HydrophobicContact CH2-CD2 4.25Å; W8-W64 AromaticContact CH2-CE2 3.59Å; W8-W64 HydrophobicContact CH2-CH2 4.21Å; W8-W64 AromaticContact CH2-CZ2 3.56Å; W8-W64 HydrophobicContact CH2-CZ2 3.56Å; W8-W64 AromaticContact CH2-NE1 3.84Å; W8-W64 HydrophobicContact CZ3-CD2 4.08Å; W8-W64 AromaticContact CZ3-CE2 3.8Å; W8-W64 HydrophobicContact CZ3-CE3 4.23Å; W8-W64 AromaticContact CZ3-CH2 3.9Å; W8-W64 HydrophobicContact CZ3-CH2 3.9Å; W8-W64 AromaticContact CZ3-CZ2 3.72Å; W8-W64 HydrophobicContact CZ3-CZ2 3.72Å; W8-W64 HydrophobicContact CZ3-CZ3 4.15Å; V11-W64 HydrophobicContact CG1-CB 3.4Å; V11-W64 VanDerWaalsContact CG1-CB 3.4Å; V11-W64 HydrophobicContact CG1-CD2 3.92Å; V11-W64 HydrophobicContact CG1-CE3 4.22Å; V11-W64 HydrophobicContact CG1-CG 3.55Å; I42-W64 HydrophobicContact CD1-CE3 4.17Å; I42-W64 HydrophobicContact CG1-CE3 4.45Å; A60-W64 PolarHBondContact O-N 3.48Å; A60-W64 VanDerWaalsContact O-N 3.12Å; R61-W64 PolarHBondContact O-N 3.24Å; R61-W64 VanDerWaalsContact O-N 3.16Å; D62-W64 VanDerWaalsContact C-N 3.29Å; D62-W64 PolarHBondContact O-N 2.95Å; W64-K66 VanDerWaalsContact C-N 3.32Å; W64-K66 PolarHBondContact O-N 3.35Å; W64-L67 PolarHBondContact O-N 3.21Å; W64-E68 WeakPolarHBondContact O-CB 3.48Å; W64-E68 PolarHBondContact O-N 3.04Å |
| 65 | L | 88 | Confident | 83.6 | Confident | 79 Ų | 79 | 75.6 Ų | 75.6 | 41% | 0.414 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 178.2 | -72 | 173.3 | 0 | 0 | 0 | 112 | R61 D62 E68 A69 | R61-L65 HydrophobicContact CG-CD1 3.97Å; R61-L65 HydrophobicContact CG-CG 4.41Å; R61-L65 WeakPolarHBondContact O-CG 3.45Å; R61-L65 PolarHBondContact O-N 3.49Å; D62-L65 PolarHBondContact O-N 3.08Å; L65-E68 PolarHBondContact O-N 2.8Å; L65-A69 WeakPolarHBondContact O-CB 3.45Å; L65-A69 PolarHBondContact O-N 3.09Å |
| 66 | K | 87.9 | Confident | 83.5 | Confident | 87 Ų | 87 | 75.4 Ų | 75.4 | 38% | 0.378 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.9 | -37.2 | 178.7 | -154.5 | 164.1 | -179.4 | -169.4 | 0 | 111.7 | H53 C57 D62 V63 W64 A70 | H53-K66 WeakPolarHBondContact O-CD 3.49Å; H53-K66 WeakPolarHBondContact O-CE 3.41Å; H53-K66 PolarHBondContact O-NZ 3.38Å; C57-K66 WeakPolarHBondContact SG-CD 2.95Å; D62-K66 VanDerWaalsContact O-CB 3.28Å; D62-K66 WeakPolarHBondContact O-CB 3.31Å; D62-K66 PolarHBondContact O-N 2.71Å; V63-K66 PolarHBondContact O-N 3.06Å; W64-K66 VanDerWaalsContact C-N 3.32Å; W64-K66 PolarHBondContact O-N 3.35Å; K66-A70 WeakPolarHBondContact O-CB 3.27Å; K66-A70 PolarHBondContact O-N 3.42Å |
| 67 | L | 87.9 | Confident | 83.6 | Confident | 22 Ų | 22 | 73.4 Ų | 73.4 | 12% | 0.115 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 170.9 | -69.4 | 171.9 | 0 | 0 | 0 | 111.9 | I42 I46 V54 V63 W64 A69 A70 F71 | I42-L67 HydrophobicContact CG2-CD1 3.7Å; I46-L67 HydrophobicContact CG2-CD1 3.88Å; I46-L67 HydrophobicContact CG2-CD2 4.31Å; V54-L67 HydrophobicContact CG1-CD1 4.27Å; V54-L67 HydrophobicContact CG1-CD2 3.75Å; V54-L67 HydrophobicContact CG1-CG 3.71Å; V63-L67 HydrophobicContact CG1-CD1 4.03Å; V63-L67 VanDerWaalsContact O-CG 3.25Å; V63-L67 WeakPolarHBondContact O-CG 3.16Å; V63-L67 PolarHBondContact O-N 3.14Å; W64-L67 PolarHBondContact O-N 3.21Å; L67-A69 VanDerWaalsContact C-N 3.34Å; L67-A69 PolarHBondContact O-N 2.97Å; L67-A70 PolarHBondContact O-N 3.11Å; L67-F71 HydrophobicContact CB-CD2 4.47Å; L67-F71 HydrophobicContact CD2-CD2 4.11Å; L67-F71 HydrophobicContact CD2-CE2 3.7Å; L67-F71 VanDerWaalsContact O-CD2 3.31Å; L67-F71 WeakPolarHBondContact O-CD2 3.37Å; L67-F71 PolarHBondContact O-N 2.88Å |
| 68 | E | 83.1 | Confident | 83.5 | Confident | 57 Ų | 57 | 74.9 Ų | 74.9 | 27% | 0.266 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 174.8 | -171.6 | -178.4 | 176 | 0 | 0 | 110.5 | W64 L65 A70 E72 K74 | W64-E68 WeakPolarHBondContact O-CB 3.48Å; W64-E68 PolarHBondContact O-N 3.04Å; L65-E68 PolarHBondContact O-N 2.8Å; E68-A70 VanDerWaalsContact C-N 3.33Å; E68-A70 PolarHBondContact O-N 3.38Å; E68-E72 HydrophobicContact CG-CB 4.27Å; E68-E72 CarbonylContact O-C 3.59Å; E68-E72 WeakPolarHBondContact O-CA 3.31Å; E68-E72 WeakPolarHBondContact O-CB 3.25Å; E68-E72 PolarHBondContact O-N 2.86Å; E68-K74 IonicContact OE1-NZ 3.58Å; E68-K74 PolarHBondContact OE1-NZ 3.27Å; E68-K74 VanDerWaalsContact OE1-NZ 3.13Å |
| 69 | A | 79.5 | Confident | 83.6 | Confident | 67 Ų | 67 | 68.2 Ų | 68.2 | 55% | 0.554 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.5 | -36.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L65 L67 P73 | L65-A69 WeakPolarHBondContact O-CB 3.45Å; L65-A69 PolarHBondContact O-N 3.09Å; L67-A69 VanDerWaalsContact C-N 3.34Å; L67-A69 PolarHBondContact O-N 2.97Å; A69-P73 WeakPolarHBondContact O-CD 3.47Å |
| 70 | A | 79.4 | Confident | 83.6 | Confident | 48 Ų | 48 | 73.3 Ų | 73.3 | 40% | 0.397 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -78.1 | -44.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K66 L67 E68 | K66-A70 WeakPolarHBondContact O-CB 3.27Å; K66-A70 PolarHBondContact O-N 3.42Å; L67-A70 PolarHBondContact O-N 3.11Å; E68-A70 VanDerWaalsContact C-N 3.33Å; E68-A70 PolarHBondContact O-N 3.38Å |
| 71 | F | 79.8 | Confident | 83.7 | Confident | 104 Ų | 104 | 80 Ų | 80 | 46% | 0.456 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -103.6 | -17.4 | -171.4 | -62.8 | -74.8 | 0 | 0 | 0 | 114 | Q50 L67 R78 | Q50-F71 HydrophobicContact CB-CZ 4.21Å; Q50-F71 HydrophobicContact CG-CZ 3.85Å; Q50-F71 VanDerWaalsContact OE1-CZ 3.29Å; L67-F71 HydrophobicContact CB-CD2 4.47Å; L67-F71 HydrophobicContact CD2-CD2 4.11Å; L67-F71 HydrophobicContact CD2-CE2 3.7Å; L67-F71 VanDerWaalsContact O-CD2 3.31Å; L67-F71 WeakPolarHBondContact O-CD2 3.37Å; L67-F71 PolarHBondContact O-N 2.88Å; F71-R78 PolarHBondContact O-NH1 3.48Å; F71-R78 PolarHBondContact O-NH2 2.9Å |
| 72 | E | 72 | Confident | 83.8 | Confident | 62 Ų | 62 | 76.2 Ų | 76.2 | 29% | 0.29 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -127.5 | 44.6 | 176.4 | -151.3 | 176.4 | 161.1 | 0 | 0 | 113.2 | E68 K74 R78 E113 | E68-E72 HydrophobicContact CG-CB 4.27Å; E68-E72 CarbonylContact O-C 3.59Å; E68-E72 WeakPolarHBondContact O-CA 3.31Å; E68-E72 WeakPolarHBondContact O-CB 3.25Å; E68-E72 PolarHBondContact O-N 2.86Å; E72-K74 PolarHBondContact O-N 2.92Å; E72-R78 VanDerWaalsContact CA-NH1 3.32Å; E72-E113 HydrophobicContact CG-CB 4.49Å; E72-E113 VanDerWaalsContact OE1-CB 3.31Å; E72-E113 WeakPolarHBondContact OE1-CB 3.45Å |
| 73 | P | 71.9 | Confident | 84 | Confident | 42 Ų | 42 | 74.1 Ų | 74.1 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | trans | -59.6 | 118.8 | 178.7 | 19.5 | -33 | 0 | 0 | 0 | 111.2 | A69 S75 R78 | A69-P73 WeakPolarHBondContact O-CD 3.47Å; P73-S75 PolarHBondContact O-N 3.48Å; P73-R78 WeakPolarHBondContact O-CD 3.39Å | ||
| 74 | K | 74.8 | Confident | 84.1 | Confident | 135 Ų | 135 | 81.6 Ų | 81.6 | 59% | 0.587 | 40% | 0.397 | S | S | * | . | trans | -74.8 | 35.1 | 172.7 | -61.5 | 175.1 | -173.8 | 158.5 | 0 | 112 | E68 E72 | E68-K74 IonicContact OE1-NZ 3.58Å; E68-K74 PolarHBondContact OE1-NZ 3.27Å; E68-K74 VanDerWaalsContact OE1-NZ 3.13Å; E72-K74 PolarHBondContact O-N 2.92Å | ||
| 75 | S | 80.3 | Confident | 84.2 | Confident | 47 Ų | 47 | 79 Ų | 79 | 33% | 0.329 | 40% | 0.396 | S | S | . | . | trans | -84.5 | 142.9 | -173.7 | 73.8 | 0 | 0 | 0 | 0 | 111.2 | P73 P77 R78 M79 | P73-S75 PolarHBondContact O-N 3.48Å; S75-P77 VanDerWaalsContact C-CD 3.42Å; S75-P77 VanDerWaalsContact C-N 3.29Å; S75-R78 PolarHBondContact O-N 3.31Å; S75-R78 VanDerWaalsContact O-N 3.11Å; S75-M79 WeakPolarHBondContact O-CG 3.33Å; S75-M79 PolarHBondContact O-N 3.46Å; S75-M79 VanDerWaalsContact O-N 3.14Å | ||
| 76 | R | 81 | Confident | 84.5 | Confident | 216 Ų | 216 | 75.2 Ų | 75.2 | 82% | 0.815 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -51.5 | -39.4 | 174.9 | -69.3 | -177.7 | 175.7 | 173 | -1.2 | 113.4 | M79 M80 | R76-M79 PolarHBondContact O-N 2.94Å; R76-M80 PolarHBondContact O-N 3.43Å |
| 77 | P | 84.9 | Confident | 84.7 | Confident | 83 Ų | 83 | 75.5 Ų | 75.5 | 54% | 0.539 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 175.9 | -26.1 | 36.3 | 0 | 0 | 0 | 114.4 | S75 M80 Q81 | S75-P77 VanDerWaalsContact C-CD 3.42Å; S75-P77 VanDerWaalsContact C-N 3.29Å; P77-M80 PolarHBondContact O-N 3.05Å; P77-Q81 WeakPolarHBondContact O-CG 3.47Å; P77-Q81 PolarHBondContact O-N 3.25Å |
| 78 | R | 84.2 | Confident | 84.9 | Confident | 46 Ų | 46 | 79.6 Ų | 79.6 | 17% | 0.174 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 176 | -178.3 | -163.8 | 174.7 | 128.4 | -16.2 | 110.4 | F71 E72 P73 S75 M80 Q81 L82 | F71-R78 PolarHBondContact O-NH1 3.48Å; F71-R78 PolarHBondContact O-NH2 2.9Å; E72-R78 VanDerWaalsContact CA-NH1 3.32Å; P73-R78 WeakPolarHBondContact O-CD 3.39Å; S75-R78 PolarHBondContact O-N 3.31Å; S75-R78 VanDerWaalsContact O-N 3.11Å; R78-M80 VanDerWaalsContact C-N 3.29Å; R78-M80 PolarHBondContact O-N 3.24Å; R78-Q81 PolarHBondContact O-N 3.03Å; R78-L82 HydrophobicContact CG-CD1 3.88Å; R78-L82 HydrophobicContact CG-CG 4.28Å; R78-L82 WeakPolarHBondContact O-CB 3.24Å; R78-L82 WeakPolarHBondContact O-CG 3.47Å; R78-L82 PolarHBondContact O-N 2.96Å |
| 79 | M | 86.2 | Confident | 85.3 | Confident | 44 Ų | 44 | 77.3 Ų | 77.3 | 22% | 0.217 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.1 | -45.1 | 176.2 | -63.4 | 169.8 | 78.6 | 0 | 0 | 110.9 | S75 R76 L82 T83 A114 L116 | S75-M79 WeakPolarHBondContact O-CG 3.33Å; S75-M79 PolarHBondContact O-N 3.46Å; S75-M79 VanDerWaalsContact O-N 3.14Å; R76-M79 PolarHBondContact O-N 2.94Å; M79-L82 PolarHBondContact O-N 3.04Å; M79-T83 VanDerWaalsContact O-CB 3.26Å; M79-T83 WeakPolarHBondContact O-CB 3.38Å; M79-T83 PolarHBondContact O-N 2.84Å; M79-T83 PolarHBondContact O-OG1 3.04Å; M79-A114 HydrophobicContact CG-CB 4Å; M79-L116 HydrophobicContact CE-CB 3.65Å; M79-L116 HydrophobicContact CE-CD2 4.49Å; M79-L116 HydrophobicContact CE-CG 4.46Å |
| 80 | M | 87.8 | Confident | 85.9 | Confident | 135 Ų | 135 | 81.4 Ų | 81.4 | 67% | 0.665 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.2 | -46.6 | 176.8 | -176.3 | 61.8 | 72.1 | 0 | 0 | 112.2 | R76 P77 R78 T83 R84 | R76-M80 PolarHBondContact O-N 3.43Å; P77-M80 PolarHBondContact O-N 3.05Å; R78-M80 VanDerWaalsContact C-N 3.29Å; R78-M80 PolarHBondContact O-N 3.24Å; M80-T83 PolarHBondContact O-N 3.17Å; M80-R84 WeakPolarHBondContact O-CB 3.49Å; M80-R84 PolarHBondContact O-N 3.17Å |
| 81 | Q | 90.1 | Very high | 86.4 | Confident | 140 Ų | 140 | 79.6 Ų | 79.6 | 65% | 0.654 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.9 | -44.8 | 178.4 | -74.1 | 175.6 | -6.6 | 0 | 0 | 112.3 | P77 R78 R84 A85 | P77-Q81 WeakPolarHBondContact O-CG 3.47Å; P77-Q81 PolarHBondContact O-N 3.25Å; R78-Q81 PolarHBondContact O-N 3.03Å; Q81-R84 PolarHBondContact O-N 2.99Å; Q81-A85 WeakPolarHBondContact O-CB 3.26Å; Q81-A85 PolarHBondContact O-N 3.14Å |
| 82 | L | 92.4 | Very high | 86.6 | Confident | 21 Ų | 21 | 77 Ų | 77 | 11% | 0.11 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.4 | -37.3 | 177.8 | -69.6 | 173.9 | 0 | 0 | 0 | 112.1 | R78 M79 A85 L86 L107 K110 L111 A114 | R78-L82 HydrophobicContact CG-CD1 3.88Å; R78-L82 HydrophobicContact CG-CG 4.28Å; R78-L82 WeakPolarHBondContact O-CB 3.24Å; R78-L82 WeakPolarHBondContact O-CG 3.47Å; R78-L82 PolarHBondContact O-N 2.96Å; M79-L82 PolarHBondContact O-N 3.04Å; L82-A85 PolarHBondContact O-N 3.05Å; L82-L86 WeakPolarHBondContact O-CB 3.38Å; L82-L86 PolarHBondContact O-N 2.91Å; L82-L107 HydrophobicContact CD2-CD2 4.41Å; L82-K110 HydrophobicContact CD1-CB 3.89Å; L82-K110 WeakPolarHBondContact CD1-O 3.12Å; L82-K110 HydrophobicContact CD2-CB 4.06Å; L82-K110 HydrophobicContact CD2-CD 3.98Å; L82-L111 HydrophobicContact CB-CD1 4.49Å; L82-L111 HydrophobicContact CB-CD2 3.55Å; L82-L111 HydrophobicContact CB-CG 3.77Å; L82-A114 HydrophobicContact CD1-CB 4.27Å |
| 83 | T | 92.2 | Very high | 86.8 | Confident | 25 Ų | 25 | 82 Ų | 82 | 15% | 0.153 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 176.1 | -60.3 | 0 | 0 | 0 | 0 | 110.3 | M79 M80 A85 L86 I87 L111 F118 | M79-T83 VanDerWaalsContact O-CB 3.26Å; M79-T83 WeakPolarHBondContact O-CB 3.38Å; M79-T83 PolarHBondContact O-N 2.84Å; M79-T83 PolarHBondContact O-OG1 3.04Å; M80-T83 PolarHBondContact O-N 3.17Å; T83-A85 VanDerWaalsContact C-N 3.34Å; T83-A85 PolarHBondContact O-N 3.44Å; T83-L86 PolarHBondContact O-N 3.42Å; T83-I87 HydrophobicContact CG2-CD1 3.81Å; T83-I87 HydrophobicContact CG2-CG1 4.49Å; T83-I87 WeakPolarHBondContact O-CG1 3.3Å; T83-I87 PolarHBondContact O-N 3.41Å; T83-L111 WeakPolarHBondContact OG1-CD2 2.99Å; T83-F118 HydrophobicContact CG2-CZ 4.2Å |
| 84 | R | 91.6 | Very high | 87.2 | Confident | 158 Ų | 158 | 86.4 Ų | 86.4 | 60% | 0.596 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -59.4 | -44.8 | 173.8 | -175.2 | 175.6 | -177.5 | 169.8 | 3.7 | 111.6 | M80 Q81 L86 I87 E88 | M80-R84 WeakPolarHBondContact O-CB 3.49Å; M80-R84 PolarHBondContact O-N 3.17Å; Q81-R84 PolarHBondContact O-N 2.99Å; R84-L86 VanDerWaalsContact C-N 3.3Å; R84-L86 PolarHBondContact O-N 3.18Å; R84-I87 PolarHBondContact O-N 3.15Å; R84-E88 HydrophobicContact CG-CG 4.22Å; R84-E88 IonicContact CZ-OE1 3.36Å; R84-E88 IonicContact NE-OE1 3.15Å; R84-E88 PolarHBondContact NE-OE1 3.28Å; R84-E88 IonicContact NE-OE2 2.73Å; R84-E88 PolarHBondContact NE-OE2 2.91Å; R84-E88 IonicContact NH2-OE1 3.38Å; R84-E88 PolarHBondContact NH2-OE1 3.45Å; R84-E88 VanDerWaalsContact O-CB 3.31Å; R84-E88 WeakPolarHBondContact O-CB 3.08Å; R84-E88 WeakPolarHBondContact O-CG 3.33Å; R84-E88 PolarHBondContact O-N 3.2Å |
| 85 | A | 93.3 | Very high | 87.6 | Confident | 41 Ų | 41 | 81 Ų | 81 | 34% | 0.339 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.7 | -35.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q81 L82 T83 N89 L107 | Q81-A85 WeakPolarHBondContact O-CB 3.26Å; Q81-A85 PolarHBondContact O-N 3.14Å; L82-A85 PolarHBondContact O-N 3.05Å; T83-A85 VanDerWaalsContact C-N 3.34Å; T83-A85 PolarHBondContact O-N 3.44Å; A85-N89 WeakPolarHBondContact O-CB 3.25Å; A85-N89 PolarHBondContact O-N 3.32Å; A85-L107 HydrophobicContact CB-CD2 3.92Å |
| 86 | L | 94.8 | Very high | 88 | Confident | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -69.8 | -47.7 | 175 | -178.3 | 65 | 0 | 0 | 0 | 111.6 | L82 T83 R84 E88 N89 T104 L107 L111 F118 L123 I126 | L82-L86 WeakPolarHBondContact O-CB 3.38Å; L82-L86 PolarHBondContact O-N 2.91Å; T83-L86 PolarHBondContact O-N 3.42Å; R84-L86 VanDerWaalsContact C-N 3.3Å; R84-L86 PolarHBondContact O-N 3.18Å; L86-E88 PolarHBondContact O-N 2.89Å; L86-N89 WeakPolarHBondContact O-CB 3.43Å; L86-N89 PolarHBondContact O-N 3.44Å; L86-T104 HydrophobicContact CD1-CG2 4.07Å; L86-L107 HydrophobicContact CB-CB 4.39Å; L86-L107 HydrophobicContact CD1-CB 3.94Å; L86-L111 HydrophobicContact CB-CD1 3.96Å; L86-L111 HydrophobicContact CD2-CD1 3.56Å; L86-L111 HydrophobicContact CG-CD1 4.35Å; L86-F118 HydrophobicContact CD2-CD1 4.47Å; L86-F118 HydrophobicContact CD2-CD2 4.12Å; L86-F118 HydrophobicContact CD2-CE1 4.48Å; L86-F118 HydrophobicContact CD2-CE2 4.15Å; L86-F118 HydrophobicContact CD2-CG 4.3Å; L86-F118 HydrophobicContact CD2-CZ 4.32Å; L86-L123 HydrophobicContact CD1-CD1 4Å; L86-L123 HydrophobicContact CD2-CD1 4.11Å; L86-I126 HydrophobicContact CD2-CD1 4.16Å; L86-I126 HydrophobicContact CG-CD1 4.49Å; L86-I126 HydrophobicContact CG-CG2 4.23Å |
| 87 | I | 92.4 | Very high | 88.6 | Confident | 92 Ų | 92 | 71 Ų | 71 | 47% | 0.472 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.1 | -37.9 | -179.3 | -66.2 | 170.4 | 0 | 0 | 0 | 111.4 | T83 R84 N89 N130 | T83-I87 HydrophobicContact CG2-CD1 3.81Å; T83-I87 HydrophobicContact CG2-CG1 4.49Å; T83-I87 WeakPolarHBondContact O-CG1 3.3Å; T83-I87 PolarHBondContact O-N 3.41Å; R84-I87 PolarHBondContact O-N 3.15Å; I87-N89 VanDerWaalsContact C-N 3.31Å; I87-N130 PolarHBondContact O-ND2 3.44Å; I87-N130 PolarHBondContact O-OD1 3Å |
| 88 | E | 91 | Very high | 88.9 | Confident | 108 Ų | 108 | 70.6 Ų | 70.6 | 51% | 0.505 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 5.6 | 179.1 | -64.4 | 177.2 | 173.6 | 0 | 0 | 113.3 | R84 L86 K90 | R84-E88 HydrophobicContact CG-CG 4.22Å; R84-E88 IonicContact CZ-OE1 3.36Å; R84-E88 IonicContact NE-OE1 3.15Å; R84-E88 PolarHBondContact NE-OE1 3.28Å; R84-E88 IonicContact NE-OE2 2.73Å; R84-E88 PolarHBondContact NE-OE2 2.91Å; R84-E88 IonicContact NH2-OE1 3.38Å; R84-E88 PolarHBondContact NH2-OE1 3.45Å; R84-E88 VanDerWaalsContact O-CB 3.31Å; R84-E88 WeakPolarHBondContact O-CB 3.08Å; R84-E88 WeakPolarHBondContact O-CG 3.33Å; R84-E88 PolarHBondContact O-N 3.2Å; L86-E88 PolarHBondContact O-N 2.89Å; E88-K90 VanDerWaalsContact C-N 3.25Å; E88-K90 PolarHBondContact O-N 3.42Å |
| 89 | N | 92.6 | Very high | 89.3 | Confident | 10 Ų | 10 | 72.5 Ų | 72.5 | 5% | 0.053 | 37% | 0.369 | C | S | . | . | trans | -72.2 | 78.4 | 179.6 | -174.9 | 39.7 | 0 | 0 | 0 | 110.8 | A85 L86 I87 Y100 R103 T104 L107 N130 | A85-N89 WeakPolarHBondContact O-CB 3.25Å; A85-N89 PolarHBondContact O-N 3.32Å; L86-N89 WeakPolarHBondContact O-CB 3.43Å; L86-N89 PolarHBondContact O-N 3.44Å; I87-N89 VanDerWaalsContact C-N 3.31Å; N89-Y100 WeakPolarHBondContact ND2-CE2 3.38Å; N89-Y100 WeakPolarHBondContact O-CE2 3.4Å; N89-Y100 PolarHBondContact O-OH 3.12Å; N89-R103 WeakPolarHBondContact OD1-CD 3.44Å; N89-R103 PolarHBondContact OD1-NH1 2.92Å; N89-R103 VanDerWaalsContact OD1-NH1 3.08Å; N89-T104 PolarHBondContact ND2-OG1 3.35Å; N89-L107 HydrophobicContact CB-CD1 4.16Å; N89-N130 WeakPolarHBondContact O-CB 3.42Å | ||
| 90 | K | 91.4 | Very high | 89.7 | Confident | 152 Ų | 152 | 70.4 Ų | 70.4 | 66% | 0.661 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -76.7 | 137.9 | 175.3 | -67.1 | -177.5 | -179.5 | -178.4 | 0 | 111.3 | E88 A92 N130 | E88-K90 VanDerWaalsContact C-N 3.25Å; E88-K90 PolarHBondContact O-N 3.42Å; K90-A92 PolarHBondContact O-N 3.32Å; K90-N130 WeakPolarHBondContact CG-OD1 3.41Å |
| 91 | C | 89.1 | Confident | 90 | Very high | 11 Ų | 11 | 64.1 Ų | 64.1 | 7% | 0.074 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 129.6 | 169.1 | -179.7 | 0 | 0 | 0 | 0 | 109.3 | Y100 N130 L132 | C91-Y100 HydrophobicContact CB-CD1 4.12Å; C91-Y100 HydrophobicContact CB-CD2 3.73Å; C91-Y100 HydrophobicContact CB-CE1 4.24Å; C91-Y100 HydrophobicContact CB-CE2 3.87Å; C91-Y100 HydrophobicContact CB-CG 3.87Å; C91-N130 PolarHBondContact N-O 2.94Å; C91-L132 HydrophobicContact CB-CD1 3.74Å; C91-L132 WeakPolarHBondContact O-CD1 3.37Å |
| 92 | A | 84.4 | Confident | 90.1 | Very high | 49 Ų | 49 | 60.9 Ų | 60.9 | 41% | 0.405 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -84 | 153.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K90 T94 E95 | K90-A92 PolarHBondContact O-N 3.32Å; A92-T94 VanDerWaalsContact C-N 3.29Å; A92-T94 PolarHBondContact O-N 2.97Å; A92-E95 HydrophobicContact CB-CB 3.91Å; A92-E95 PolarHBondContact O-N 3.23Å |
| 93 | Q | 76.7 | Confident | 90.2 | Very high | 166 Ų | 166 | 64.7 Ų | 64.7 | 78% | 0.776 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -26.7 | -170.9 | -168.4 | 164.8 | 26.3 | 0 | 0 | 115 | L132 | Q93-L132 HydrophobicContact CB-CD2 3.67Å; Q93-L132 HydrophobicContact CG-CD2 3.73Å |
| 94 | T | 79.9 | Confident | 90.3 | Very high | 136 Ų | 136 | 63.5 Ų | 63.5 | 83% | 0.834 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | 6.9 | -178 | 58.1 | 0 | 0 | 0 | 0 | 112.7 | A92 | A92-T94 VanDerWaalsContact C-N 3.29Å; A92-T94 PolarHBondContact O-N 2.97Å |
| 95 | E | 84.6 | Confident | 90.4 | Very high | 22 Ų | 22 | 61.2 Ų | 61.2 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -80.4 | 136.5 | 179.9 | 179.4 | 180 | -177 | 0 | 0 | 110.4 | A92 D99 Y100 R103 | A92-E95 HydrophobicContact CB-CB 3.91Å; A92-E95 PolarHBondContact O-N 3.23Å; E95-D99 HydrophobicContact CG-CB 3.9Å; E95-D99 VanDerWaalsContact OE1-C 3.29Å; E95-D99 VanDerWaalsContact OE1-CB 3.25Å; E95-D99 WeakPolarHBondContact OE1-CB 3.31Å; E95-Y100 WeakPolarHBondContact OE1-CA 3.49Å; E95-Y100 PolarHBondContact OE1-N 3.43Å; E95-R103 IonicContact OE1-CZ 3.68Å; E95-R103 IonicContact OE1-NE 3.13Å; E95-R103 IonicContact OE1-NH2 3.49Å; E95-R103 PolarHBondContact OE1-NH2 3.4Å; E95-R103 IonicContact OE2-CZ 2.69Å; E95-R103 IonicContact OE2-NH1 2.78Å; E95-R103 IonicContact OE2-NH2 2.77Å; E95-R103 PolarHBondContact OE2-NH2 3.48Å |
| 96 | P | 88.2 | Confident | 90.4 | Very high | 51 Ų | 51 | 67.3 Ų | 67.3 | 33% | 0.331 | 33% | 0.333 | S | S | . | . | trans | -58.3 | 135.7 | 168.2 | -21.7 | 33.1 | 0 | 0 | 0 | 111.5 | E98 D99 Y100 | P96-E98 PolarHBondContact O-N 3Å; P96-E98 VanDerWaalsContact O-N 3.12Å; P96-D99 WeakPolarHBondContact O-CB 3.36Å; P96-D99 PolarHBondContact O-N 2.99Å; P96-Y100 PolarHBondContact O-N 3.01Å | ||
| 97 | M | 93 | Very high | 90.4 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59 | -29.7 | -178.2 | -174.3 | 60.5 | 71.4 | 0 | 0 | 113.3 | D99 Y100 V101 L131 Y135 L159 L160 Y163 | M97-D99 VanDerWaalsContact C-N 3.34Å; M97-D99 PolarHBondContact O-N 2.98Å; M97-Y100 PolarHBondContact O-N 3.35Å; M97-Y100 HydrophobicContact SD-CD1 3.79Å; M97-V101 HydrophobicContact CG-CG2 4.42Å; M97-V101 WeakPolarHBondContact O-CG2 3.49Å; M97-V101 PolarHBondContact O-N 2.91Å; M97-V101 VanDerWaalsContact O-N 3.09Å; M97-V101 HydrophobicContact SD-CG2 4.47Å; M97-L131 HydrophobicContact CE-CD2 4.12Å; M97-L131 HydrophobicContact SD-CD2 4.38Å; M97-Y135 HydrophobicContact CE-CD1 4.17Å; M97-Y135 HydrophobicContact CE-CD2 4.5Å; M97-Y135 HydrophobicContact CE-CE1 3.54Å; M97-Y135 HydrophobicContact CE-CE2 3.91Å; M97-L159 HydrophobicContact CE-CB 4.43Å; M97-L159 HydrophobicContact CG-CB 3.9Å; M97-L159 HydrophobicContact SD-CB 4Å; M97-L159 HydrophobicContact SD-CD1 4.35Å; M97-L160 HydrophobicContact CB-CD2 4.07Å; M97-L160 HydrophobicContact CG-CD2 4.08Å; M97-Y163 HydrophobicContact CB-CD1 4.35Å; M97-Y163 HydrophobicContact CB-CD2 3.76Å; M97-Y163 HydrophobicContact CB-CE2 4.48Å; M97-Y163 HydrophobicContact CB-CG 3.69Å |
| 98 | E | 91.8 | Very high | 90.4 | Very high | 74 Ų | 74 | 65 Ų | 65 | 35% | 0.346 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.1 | -37.9 | 175.9 | -168.2 | 68.7 | -147.2 | 0 | 0 | 112.4 | P96 V101 T102 K156 L160 | P96-E98 PolarHBondContact O-N 3Å; P96-E98 VanDerWaalsContact O-N 3.12Å; E98-V101 PolarHBondContact O-N 3.49Å; E98-T102 VanDerWaalsContact O-CB 3.22Å; E98-T102 WeakPolarHBondContact O-CB 3.46Å; E98-T102 PolarHBondContact O-N 3.35Å; E98-T102 PolarHBondContact O-OG1 3.42Å; E98-K156 WeakPolarHBondContact OE1-CE 3.35Å; E98-K156 IonicContact OE1-NZ 2.83Å; E98-K156 PolarHBondContact OE1-NZ 3.11Å; E98-K156 IonicContact OE2-NZ 3.44Å; E98-L160 HydrophobicContact CB-CD2 4.17Å; E98-L160 WeakPolarHBondContact OE2-CD1 3.07Å; E98-L160 VanDerWaalsContact OE2-CD2 3.26Å; E98-L160 WeakPolarHBondContact OE2-CD2 3.42Å |
| 99 | D | 91 | Very high | 90.4 | Very high | 86 Ų | 86 | 62 Ų | 62 | 46% | 0.46 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.7 | -42 | -179.8 | -68.4 | -11.6 | 0 | 0 | 0 | 110.3 | E95 P96 M97 T102 R103 | E95-D99 HydrophobicContact CG-CB 3.9Å; E95-D99 VanDerWaalsContact OE1-C 3.29Å; E95-D99 VanDerWaalsContact OE1-CB 3.25Å; E95-D99 WeakPolarHBondContact OE1-CB 3.31Å; P96-D99 WeakPolarHBondContact O-CB 3.36Å; P96-D99 PolarHBondContact O-N 2.99Å; M97-D99 VanDerWaalsContact C-N 3.34Å; M97-D99 PolarHBondContact O-N 2.98Å; D99-T102 PolarHBondContact O-N 3.31Å; D99-R103 WeakPolarHBondContact O-CB 3.46Å; D99-R103 PolarHBondContact O-N 2.9Å |
| 100 | Y | 95.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 65 Ų | 65 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.3 | -51.8 | 176.2 | 173.6 | -113.7 | 0 | 0 | 0 | 111.3 | N89 C91 E95 P96 M97 T102 R103 T104 M127 N130 L131 | N89-Y100 WeakPolarHBondContact ND2-CE2 3.38Å; N89-Y100 WeakPolarHBondContact O-CE2 3.4Å; N89-Y100 PolarHBondContact O-OH 3.12Å; C91-Y100 HydrophobicContact CB-CD1 4.12Å; C91-Y100 HydrophobicContact CB-CD2 3.73Å; C91-Y100 HydrophobicContact CB-CE1 4.24Å; C91-Y100 HydrophobicContact CB-CE2 3.87Å; C91-Y100 HydrophobicContact CB-CG 3.87Å; E95-Y100 WeakPolarHBondContact OE1-CA 3.49Å; E95-Y100 PolarHBondContact OE1-N 3.43Å; P96-Y100 PolarHBondContact O-N 3.01Å; M97-Y100 PolarHBondContact O-N 3.35Å; M97-Y100 HydrophobicContact SD-CD1 3.79Å; Y100-T102 PolarHBondContact O-N 3.49Å; Y100-R103 PolarHBondContact O-N 3.45Å; Y100-T104 PolarHBondContact O-N 3.31Å; Y100-T104 PolarHBondContact O-OG1 2.92Å; Y100-T104 VanDerWaalsContact O-OG1 3.09Å; Y100-M127 HydrophobicContact CE1-CG 3.65Å; Y100-M127 PolarHBondContact OH-O 3.38Å; Y100-N130 VanDerWaalsContact OH-CB 3.3Å; Y100-N130 WeakPolarHBondContact OH-CB 3.31Å; Y100-L131 HydrophobicContact CD1-CD2 4.38Å; Y100-L131 HydrophobicContact CE1-CD2 3.87Å |
| 101 | V | 93.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 179.1 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | M97 E98 R103 T104 K105 M127 F152 K156 | M97-V101 HydrophobicContact CG-CG2 4.42Å; M97-V101 WeakPolarHBondContact O-CG2 3.49Å; M97-V101 PolarHBondContact O-N 2.91Å; M97-V101 VanDerWaalsContact O-N 3.09Å; M97-V101 HydrophobicContact SD-CG2 4.47Å; E98-V101 PolarHBondContact O-N 3.49Å; V101-R103 VanDerWaalsContact C-N 3.3Å; V101-R103 PolarHBondContact O-N 2.7Å; V101-T104 PolarHBondContact O-N 3.46Å; V101-K105 PolarHBondContact O-N 2.88Å; V101-M127 HydrophobicContact CG2-SD 4.17Å; V101-F152 HydrophobicContact CG1-CE1 4.09Å; V101-F152 HydrophobicContact CG1-CZ 3.8Å; V101-K156 HydrophobicContact CG1-CB 4.07Å; V101-K156 HydrophobicContact CG1-CD 3.78Å; V101-K156 HydrophobicContact CG1-CG 3.83Å |
| 102 | T | 92.7 | Very high | 90.3 | Very high | 73 Ų | 73 | 63 Ų | 63 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 177.7 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | E98 D99 Y100 K105 R106 | E98-T102 VanDerWaalsContact O-CB 3.22Å; E98-T102 WeakPolarHBondContact O-CB 3.46Å; E98-T102 PolarHBondContact O-N 3.35Å; E98-T102 PolarHBondContact O-OG1 3.42Å; D99-T102 PolarHBondContact O-N 3.31Å; Y100-T102 PolarHBondContact O-N 3.49Å; T102-K105 PolarHBondContact O-N 3.41Å; T102-R106 WeakPolarHBondContact O-CB 3.26Å; T102-R106 PolarHBondContact O-N 3.05Å |
| 103 | R | 94.6 | Very high | 90.3 | Very high | 100 Ų | 100 | 65.2 Ų | 65.2 | 38% | 0.377 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 177 | -155 | -170.2 | -48.6 | 152.3 | -8 | 111.8 | N89 E95 D99 Y100 V101 R106 L107 | N89-R103 WeakPolarHBondContact OD1-CD 3.44Å; N89-R103 PolarHBondContact OD1-NH1 2.92Å; N89-R103 VanDerWaalsContact OD1-NH1 3.08Å; E95-R103 IonicContact OE1-CZ 3.68Å; E95-R103 IonicContact OE1-NE 3.13Å; E95-R103 IonicContact OE1-NH2 3.49Å; E95-R103 PolarHBondContact OE1-NH2 3.4Å; E95-R103 IonicContact OE2-CZ 2.69Å; E95-R103 IonicContact OE2-NH1 2.78Å; E95-R103 IonicContact OE2-NH2 2.77Å; E95-R103 PolarHBondContact OE2-NH2 3.48Å; D99-R103 WeakPolarHBondContact O-CB 3.46Å; D99-R103 PolarHBondContact O-N 2.9Å; Y100-R103 PolarHBondContact O-N 3.45Å; V101-R103 VanDerWaalsContact C-N 3.3Å; V101-R103 PolarHBondContact O-N 2.7Å; R103-R106 PolarHBondContact O-N 3.23Å; R103-L107 WeakPolarHBondContact O-CG 3.38Å; R103-L107 PolarHBondContact O-N 3.26Å |
| 104 | T | 94.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.5 | -49.1 | 174.3 | -56.7 | 0 | 0 | 0 | 0 | 111 | L86 N89 Y100 V101 R106 L107 A108 L123 M127 F152 | L86-T104 HydrophobicContact CD1-CG2 4.07Å; N89-T104 PolarHBondContact ND2-OG1 3.35Å; Y100-T104 PolarHBondContact O-N 3.31Å; Y100-T104 PolarHBondContact O-OG1 2.92Å; Y100-T104 VanDerWaalsContact O-OG1 3.09Å; V101-T104 PolarHBondContact O-N 3.46Å; T104-R106 VanDerWaalsContact C-N 3.33Å; T104-R106 PolarHBondContact O-N 3.49Å; T104-L107 PolarHBondContact O-N 2.74Å; T104-A108 PolarHBondContact O-N 3.22Å; T104-L123 HydrophobicContact CG2-CD1 3.9Å; T104-L123 HydrophobicContact CG2-CG 4.48Å; T104-M127 HydrophobicContact CG2-CB 4.4Å; T104-F152 HydrophobicContact CG2-CE2 4.18Å |
| 105 | K | 93 | Very high | 90.9 | Very high | 109 Ų | 109 | 53.8 Ų | 53.8 | 47% | 0.474 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.2 | -39 | 178.7 | -164.5 | 166.5 | -170.4 | 159 | 0 | 112.3 | V101 T102 A108 A109 F152 D153 | V101-K105 PolarHBondContact O-N 2.88Å; T102-K105 PolarHBondContact O-N 3.41Å; K105-A108 PolarHBondContact O-N 3.12Å; K105-A109 PolarHBondContact O-N 3.3Å; K105-F152 HydrophobicContact CB-CE1 4.33Å; K105-F152 HydrophobicContact CB-CZ 3.94Å; K105-F152 HydrophobicContact CD-CE1 3.93Å; K105-F152 HydrophobicContact CD-CZ 4.4Å; K105-F152 HydrophobicContact CG-CE1 4.34Å; K105-F152 HydrophobicContact CG-CZ 4.36Å; K105-D153 IonicContact NZ-OD1 3.15Å |
| 106 | R | 93.7 | Very high | 91 | Very high | 170 Ų | 170 | 55.7 Ų | 55.7 | 64% | 0.642 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -66.3 | -40 | 176.9 | -171.8 | 179.3 | -176.6 | -172.1 | 1 | 112.4 | T102 R103 T104 K110 | T102-R106 WeakPolarHBondContact O-CB 3.26Å; T102-R106 PolarHBondContact O-N 3.05Å; R103-R106 PolarHBondContact O-N 3.23Å; T104-R106 VanDerWaalsContact C-N 3.33Å; T104-R106 PolarHBondContact O-N 3.49Å; R106-K110 WeakPolarHBondContact O-CG 3.41Å; R106-K110 PolarHBondContact O-N 3.08Å; R106-K110 VanDerWaalsContact O-N 3.12Å |
| 107 | L | 94.3 | Very high | 91.1 | Very high | 23 Ų | 23 | 59.3 Ų | 59.3 | 12% | 0.12 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 175.9 | -73.8 | 167.4 | 0 | 0 | 0 | 111.3 | L82 A85 L86 N89 R103 T104 K110 L111 | L82-L107 HydrophobicContact CD2-CD2 4.41Å; A85-L107 HydrophobicContact CB-CD2 3.92Å; L86-L107 HydrophobicContact CB-CB 4.39Å; L86-L107 HydrophobicContact CD1-CB 3.94Å; N89-L107 HydrophobicContact CB-CD1 4.16Å; R103-L107 WeakPolarHBondContact O-CG 3.38Å; R103-L107 PolarHBondContact O-N 3.26Å; T104-L107 PolarHBondContact O-N 2.74Å; L107-K110 PolarHBondContact O-N 2.92Å; L107-L111 PolarHBondContact O-N 3.16Å |
| 108 | A | 92.7 | Very high | 90.9 | Very high | 19 Ų | 19 | 61.4 Ų | 61.4 | 16% | 0.157 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T104 K105 K110 L111 K112 L123 | T104-A108 PolarHBondContact O-N 3.22Å; K105-A108 PolarHBondContact O-N 3.12Å; A108-K110 PolarHBondContact O-N 3.04Å; A108-L111 PolarHBondContact O-N 3.14Å; A108-K112 PolarHBondContact O-N 3.18Å; A108-L123 HydrophobicContact CB-CD1 3.83Å; A108-L123 HydrophobicContact CB-CD2 3.82Å |
| 109 | A | 91.3 | Very high | 90.8 | Very high | 46 Ų | 46 | 65 Ų | 65 | 38% | 0.38 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K105 L111 K112 E113 | K105-A109 PolarHBondContact O-N 3.3Å; A109-L111 VanDerWaalsContact C-N 3.27Å; A109-L111 PolarHBondContact O-N 3.09Å; A109-K112 PolarHBondContact O-N 3.34Å; A109-E113 WeakPolarHBondContact O-CB 3.44Å; A109-E113 WeakPolarHBondContact O-CG 3.35Å; A109-E113 PolarHBondContact O-N 3.09Å |
| 110 | K | 90.8 | Very high | 90.6 | Very high | 74 Ų | 74 | 64.7 Ų | 64.7 | 32% | 0.322 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.6 | -32.3 | 175.9 | -73.6 | -178.4 | 175.6 | -168.8 | 0 | 113.3 | L82 R106 L107 A108 A114 | L82-K110 HydrophobicContact CD1-CB 3.89Å; L82-K110 WeakPolarHBondContact CD1-O 3.12Å; L82-K110 HydrophobicContact CD2-CB 4.06Å; L82-K110 HydrophobicContact CD2-CD 3.98Å; R106-K110 WeakPolarHBondContact O-CG 3.41Å; R106-K110 PolarHBondContact O-N 3.08Å; R106-K110 VanDerWaalsContact O-N 3.12Å; L107-K110 PolarHBondContact O-N 2.92Å; A108-K110 PolarHBondContact O-N 3.04Å; K110-A114 WeakPolarHBondContact O-CB 3.34Å; K110-A114 PolarHBondContact O-N 3.29Å; K110-A114 VanDerWaalsContact O-N 3.09Å |
| 111 | L | 91.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.7 | -43.4 | 175.6 | -83.6 | 162.4 | 0 | 0 | 0 | 111.3 | L82 T83 L86 L107 A108 A109 E113 A114 G115 L116 F118 | L82-L111 HydrophobicContact CB-CD1 4.49Å; L82-L111 HydrophobicContact CB-CD2 3.55Å; L82-L111 HydrophobicContact CB-CG 3.77Å; T83-L111 WeakPolarHBondContact OG1-CD2 2.99Å; L86-L111 HydrophobicContact CB-CD1 3.96Å; L86-L111 HydrophobicContact CD2-CD1 3.56Å; L86-L111 HydrophobicContact CG-CD1 4.35Å; L107-L111 PolarHBondContact O-N 3.16Å; A108-L111 PolarHBondContact O-N 3.14Å; A109-L111 VanDerWaalsContact C-N 3.27Å; A109-L111 PolarHBondContact O-N 3.09Å; L111-E113 VanDerWaalsContact C-N 3.35Å; L111-E113 PolarHBondContact O-N 3.41Å; L111-A114 CarbonylContact O-C 3.56Å; L111-A114 WeakPolarHBondContact O-CA 3.35Å; L111-A114 PolarHBondContact O-N 2.78Å; L111-A114 VanDerWaalsContact O-N 3.08Å; L111-G115 PolarHBondContact O-N 2.94Å; L111-G115 VanDerWaalsContact O-N 3.14Å; L111-L116 CarbonylContact C-O 3.58Å; L111-L116 WeakPolarHBondContact CB-O 3.28Å; L111-L116 HydrophobicContact CD2-CB 4.41Å; L111-L116 HydrophobicContact CD2-CD2 4.27Å; L111-L116 CarbonylContact O-C 3.52Å; L111-L116 PolarHBondContact O-N 3.38Å; L111-F118 HydrophobicContact CD1-CD2 4.14Å; L111-F118 HydrophobicContact CD1-CE2 3.85Å |
| 112 | K | 89.7 | Confident | 90.1 | Very high | 121 Ų | 121 | 71.5 Ų | 71.5 | 53% | 0.526 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 174.6 | -175 | 169.6 | -177.8 | 156.7 | 0 | 111.7 | A108 A109 A114 G115 L116 E117 | A108-K112 PolarHBondContact O-N 3.18Å; A109-K112 PolarHBondContact O-N 3.34Å; K112-A114 VanDerWaalsContact C-N 3.32Å; K112-A114 PolarHBondContact O-N 3.31Å; K112-G115 PolarHBondContact O-N 3.47Å; K112-L116 PolarHBondContact N-O 3.41Å; K112-E117 HydrophobicContact CD-CG 4.42Å; K112-E117 VanDerWaalsContact CE-OE1 3.3Å; K112-E117 WeakPolarHBondContact CE-OE1 3.35Å; K112-E117 IonicContact NZ-OE1 3.92Å; K112-E117 PolarHBondContact NZ-OE1 3.02Å; K112-E117 IonicContact NZ-OE2 3.09Å |
| 113 | E | 83.4 | Confident | 90.1 | Very high | 94 Ų | 94 | 68.6 Ų | 68.6 | 44% | 0.439 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57 | -42.3 | 171.1 | -77.1 | 167.9 | -168.1 | 0 | 0 | 112.2 | E72 A109 L111 G115 | E72-E113 HydrophobicContact CG-CB 4.49Å; E72-E113 VanDerWaalsContact OE1-CB 3.31Å; E72-E113 WeakPolarHBondContact OE1-CB 3.45Å; A109-E113 WeakPolarHBondContact O-CB 3.44Å; A109-E113 WeakPolarHBondContact O-CG 3.35Å; A109-E113 PolarHBondContact O-N 3.09Å; L111-E113 VanDerWaalsContact C-N 3.35Å; L111-E113 PolarHBondContact O-N 3.41Å; E113-G115 PolarHBondContact O-N 3.48Å |
| 114 | A | 85.6 | Confident | 90 | Very high | 2 Ų | 2 | 63.9 Ų | 63.9 | 2% | 0.017 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 0.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | M79 L82 K110 L111 K112 | M79-A114 HydrophobicContact CG-CB 4Å; L82-A114 HydrophobicContact CD1-CB 4.27Å; K110-A114 WeakPolarHBondContact O-CB 3.34Å; K110-A114 PolarHBondContact O-N 3.29Å; K110-A114 VanDerWaalsContact O-N 3.09Å; L111-A114 CarbonylContact O-C 3.56Å; L111-A114 WeakPolarHBondContact O-CA 3.35Å; L111-A114 PolarHBondContact O-N 2.78Å; L111-A114 VanDerWaalsContact O-N 3.08Å; K112-A114 VanDerWaalsContact C-N 3.32Å; K112-A114 PolarHBondContact O-N 3.31Å |
| 115 | G | 83.9 | Confident | 89.9 | Confident | 60 Ų | 60 | 66.7 Ų | 66.7 | 62% | 0.619 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | 11 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L111 K112 E113 | L111-G115 PolarHBondContact O-N 2.94Å; L111-G115 VanDerWaalsContact O-N 3.14Å; K112-G115 PolarHBondContact O-N 3.47Å; E113-G115 PolarHBondContact O-N 3.48Å |
| 116 | L | 87.9 | Confident | 89.9 | Confident | 63 Ų | 63 | 62.8 Ų | 62.8 | 33% | 0.33 | 32% | 0.32 | S | S | . | . | trans | -117.5 | 106.2 | 173.6 | -172.1 | 61.8 | 0 | 0 | 0 | 110.5 | M79 L111 K112 F118 | M79-L116 HydrophobicContact CE-CB 3.65Å; M79-L116 HydrophobicContact CE-CD2 4.49Å; M79-L116 HydrophobicContact CE-CG 4.46Å; L111-L116 CarbonylContact C-O 3.58Å; L111-L116 WeakPolarHBondContact CB-O 3.28Å; L111-L116 HydrophobicContact CD2-CB 4.41Å; L111-L116 HydrophobicContact CD2-CD2 4.27Å; L111-L116 CarbonylContact O-C 3.52Å; L111-L116 PolarHBondContact O-N 3.38Å; K112-L116 PolarHBondContact N-O 3.41Å; L116-F118 HydrophobicContact CD2-CE2 3.92Å; L116-F118 HydrophobicContact CD2-CZ 4.48Å; L116-F118 HydrophobicContact CG-CE2 4.1Å | ||
| 117 | E | 89 | Confident | 89.9 | Confident | 126 Ų | 126 | 54.8 Ų | 54.8 | 59% | 0.589 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -97.3 | 126 | 177.7 | -173.2 | 161.6 | -159.8 | 0 | 0 | 110.6 | K112 | K112-E117 HydrophobicContact CD-CG 4.42Å; K112-E117 VanDerWaalsContact CE-OE1 3.3Å; K112-E117 WeakPolarHBondContact CE-OE1 3.35Å; K112-E117 IonicContact NZ-OE1 3.92Å; K112-E117 PolarHBondContact NZ-OE1 3.02Å; K112-E117 IonicContact NZ-OE2 3.09Å |
| 118 | F | 89.8 | Confident | 89.9 | Confident | 46 Ų | 46 | 54.3 Ų | 54.3 | 20% | 0.202 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -88 | 133 | 168.7 | -78.6 | -104.2 | 0 | 0 | 0 | 108.3 | T83 L86 L111 L116 Q122 I126 | T83-F118 HydrophobicContact CG2-CZ 4.2Å; L86-F118 HydrophobicContact CD2-CD1 4.47Å; L86-F118 HydrophobicContact CD2-CD2 4.12Å; L86-F118 HydrophobicContact CD2-CE1 4.48Å; L86-F118 HydrophobicContact CD2-CE2 4.15Å; L86-F118 HydrophobicContact CD2-CG 4.3Å; L86-F118 HydrophobicContact CD2-CZ 4.32Å; L111-F118 HydrophobicContact CD1-CD2 4.14Å; L111-F118 HydrophobicContact CD1-CE2 3.85Å; L116-F118 HydrophobicContact CD2-CE2 3.92Å; L116-F118 HydrophobicContact CD2-CZ 4.48Å; L116-F118 HydrophobicContact CG-CE2 4.1Å; F118-Q122 HydrophobicContact CD1-CB 4.07Å; F118-I126 HydrophobicContact CD1-CD1 3.77Å; F118-I126 HydrophobicContact CE1-CD1 3.63Å |
| 119 | K | 89.3 | Confident | 89.8 | Confident | 148 Ų | 148 | 57.2 Ų | 57.2 | 64% | 0.643 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 155.8 | 171.1 | -65.4 | -177.4 | 179.6 | -178.1 | 0 | 110.2 | D121 Q122 L123 | K119-D121 VanDerWaalsContact C-N 3.29Å; K119-D121 WeakPolarHBondContact CB-OD1 3.31Å; K119-D121 PolarHBondContact O-N 2.94Å; K119-Q122 HydrophobicContact CB-CG 4.23Å; K119-Q122 WeakPolarHBondContact O-CB 3.32Å; K119-Q122 PolarHBondContact O-N 3.5Å; K119-Q122 VanDerWaalsContact O-N 3.07Å; K119-L123 PolarHBondContact O-N 2.87Å |
| 120 | D | 86.8 | Confident | 89.9 | Confident | 80 Ų | 80 | 56 Ų | 56 | 43% | 0.428 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.9 | -39.2 | -175.8 | -106.1 | 41.8 | 0 | 0 | 0 | 112.9 | L123 T124 F152 | D120-L123 PolarHBondContact O-N 2.86Å; D120-T124 WeakPolarHBondContact O-CB 3.23Å; D120-T124 PolarHBondContact O-N 3Å; D120-T124 PolarHBondContact O-OG1 2.78Å; D120-F152 PolarHBondContact OD2-N 2.98Å |
| 121 | D | 87.5 | Confident | 90.1 | Very high | 62 Ų | 62 | 53.5 Ų | 53.5 | 33% | 0.332 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 174.8 | 64.2 | -42.7 | 0 | 0 | 0 | 111.9 | K119 T124 T125 Y150 | K119-D121 VanDerWaalsContact C-N 3.29Å; K119-D121 WeakPolarHBondContact CB-OD1 3.31Å; K119-D121 PolarHBondContact O-N 2.94Å; D121-T124 PolarHBondContact O-N 3.41Å; D121-T125 WeakPolarHBondContact O-CB 3.47Å; D121-T125 PolarHBondContact O-N 3.32Å; D121-T125 PolarHBondContact O-OG1 2.96Å; D121-Y150 HydrophobicContact CB-CD1 4.38Å |
| 122 | Q | 90.8 | Very high | 90 | Very high | 85 Ų | 85 | 55.1 Ų | 55.1 | 40% | 0.397 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.9 | -45.8 | 177.4 | -61.2 | 175.7 | -36.3 | 0 | 0 | 111.1 | F118 K119 T124 T125 I126 | F118-Q122 HydrophobicContact CD1-CB 4.07Å; K119-Q122 HydrophobicContact CB-CG 4.23Å; K119-Q122 WeakPolarHBondContact O-CB 3.32Å; K119-Q122 PolarHBondContact O-N 3.5Å; K119-Q122 VanDerWaalsContact O-N 3.07Å; Q122-T124 VanDerWaalsContact C-N 3.34Å; Q122-T124 PolarHBondContact O-N 3.47Å; Q122-T125 PolarHBondContact O-N 3.43Å; Q122-I126 VanDerWaalsContact O-CG1 3.31Å; Q122-I126 WeakPolarHBondContact O-CG1 3.43Å; Q122-I126 PolarHBondContact O-N 3.01Å |
| 123 | L | 93 | Very high | 89.8 | Confident | 12 Ų | 12 | 53.9 Ų | 53.9 | 6% | 0.063 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 178.9 | -175.4 | 62.9 | 0 | 0 | 0 | 111.4 | L86 T104 A108 K119 D120 I126 M127 F152 | L86-L123 HydrophobicContact CD1-CD1 4Å; L86-L123 HydrophobicContact CD2-CD1 4.11Å; T104-L123 HydrophobicContact CG2-CD1 3.9Å; T104-L123 HydrophobicContact CG2-CG 4.48Å; A108-L123 HydrophobicContact CB-CD1 3.83Å; A108-L123 HydrophobicContact CB-CD2 3.82Å; K119-L123 PolarHBondContact O-N 2.87Å; D120-L123 PolarHBondContact O-N 2.86Å; L123-I126 PolarHBondContact O-N 2.87Å; L123-M127 WeakPolarHBondContact O-CB 3.44Å; L123-M127 PolarHBondContact O-N 3.38Å; L123-F152 HydrophobicContact CD2-CD2 3.5Å; L123-F152 VanDerWaalsContact CD2-CD2 3.5Å; L123-F152 HydrophobicContact CD2-CE2 3.81Å; L123-F152 HydrophobicContact CD2-CG 4.29Å; L123-F152 HydrophobicContact CG-CD2 3.84Å; L123-F152 HydrophobicContact CG-CE2 4.1Å |
| 124 | T | 92.9 | Very high | 90 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 177.4 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | D120 D121 Q122 M127 I128 Y150 V155 | D120-T124 WeakPolarHBondContact O-CB 3.23Å; D120-T124 PolarHBondContact O-N 3Å; D120-T124 PolarHBondContact O-OG1 2.78Å; D121-T124 PolarHBondContact O-N 3.41Å; Q122-T124 VanDerWaalsContact C-N 3.34Å; Q122-T124 PolarHBondContact O-N 3.47Å; T124-M127 WeakPolarHBondContact O-CB 3.32Å; T124-M127 PolarHBondContact O-N 2.94Å; T124-I128 HydrophobicContact CG2-CD1 4.17Å; T124-I128 WeakPolarHBondContact O-CG1 3.5Å; T124-I128 PolarHBondContact O-N 3.3Å; T124-Y150 HydrophobicContact CG2-CD1 4.17Å; T124-Y150 HydrophobicContact CG2-CD2 4.25Å; T124-Y150 HydrophobicContact CG2-CE1 3.79Å; T124-Y150 HydrophobicContact CG2-CE2 3.88Å; T124-Y150 HydrophobicContact CG2-CG 4.39Å; T124-V155 HydrophobicContact CG2-CB 3.73Å; T124-V155 HydrophobicContact CG2-CG1 3.91Å; T124-V155 HydrophobicContact CG2-CG2 3.27Å |
| 125 | T | 92.2 | Very high | 90.3 | Very high | 60 Ų | 60 | 52.8 Ų | 52.8 | 37% | 0.368 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 176.5 | -58 | 0 | 0 | 0 | 0 | 112 | D121 Q122 M127 I128 A129 Y150 | D121-T125 WeakPolarHBondContact O-CB 3.47Å; D121-T125 PolarHBondContact O-N 3.32Å; D121-T125 PolarHBondContact O-OG1 2.96Å; Q122-T125 PolarHBondContact O-N 3.43Å; T125-M127 VanDerWaalsContact C-N 3.28Å; T125-M127 PolarHBondContact O-N 3.37Å; T125-I128 PolarHBondContact O-N 2.87Å; T125-A129 WeakPolarHBondContact O-CB 3.32Å; T125-A129 PolarHBondContact O-N 3.33Å; T125-Y150 VanDerWaalsContact CA-OH 3.3Å; T125-Y150 WeakPolarHBondContact CA-OH 3.48Å; T125-Y150 PolarHBondContact N-OH 3.33Å; T125-Y150 PolarHBondContact OG1-OH 3.3Å |
| 126 | I | 92.8 | Very high | 90.6 | Very high | 28 Ų | 28 | 54.6 Ų | 54.6 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 175.4 | -66.4 | 165.2 | 0 | 0 | 0 | 111 | L86 F118 Q122 L123 N130 | L86-I126 HydrophobicContact CD2-CD1 4.16Å; L86-I126 HydrophobicContact CG-CD1 4.49Å; L86-I126 HydrophobicContact CG-CG2 4.23Å; F118-I126 HydrophobicContact CD1-CD1 3.77Å; F118-I126 HydrophobicContact CE1-CD1 3.63Å; Q122-I126 VanDerWaalsContact O-CG1 3.31Å; Q122-I126 WeakPolarHBondContact O-CG1 3.43Å; Q122-I126 PolarHBondContact O-N 3.01Å; L123-I126 PolarHBondContact O-N 2.87Å; I126-N130 WeakPolarHBondContact O-CB 3.46Å; I126-N130 PolarHBondContact O-N 2.84Å; I126-N130 PolarHBondContact O-ND2 3.25Å |
| 127 | M | 93.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 177.5 | -171.6 | 173.3 | 60 | 0 | 0 | 111.8 | Y100 V101 T104 L123 T124 T125 N130 L131 F152 V155 L159 | Y100-M127 HydrophobicContact CE1-CG 3.65Å; Y100-M127 PolarHBondContact OH-O 3.38Å; V101-M127 HydrophobicContact CG2-SD 4.17Å; T104-M127 HydrophobicContact CG2-CB 4.4Å; L123-M127 WeakPolarHBondContact O-CB 3.44Å; L123-M127 PolarHBondContact O-N 3.38Å; T124-M127 WeakPolarHBondContact O-CB 3.32Å; T124-M127 PolarHBondContact O-N 2.94Å; T125-M127 VanDerWaalsContact C-N 3.28Å; T125-M127 PolarHBondContact O-N 3.37Å; M127-N130 PolarHBondContact O-N 3.09Å; M127-L131 WeakPolarHBondContact O-CG 3.35Å; M127-F152 HydrophobicContact CE-CD2 4.46Å; M127-F152 HydrophobicContact CE-CE2 4.41Å; M127-F152 HydrophobicContact SD-CE2 3.98Å; M127-F152 HydrophobicContact SD-CZ 4.45Å; M127-V155 HydrophobicContact CE-CB 3.85Å; M127-V155 HydrophobicContact CE-CG1 3.31Å; M127-L159 HydrophobicContact CE-CD1 3.93Å; M127-L159 HydrophobicContact CG-CD1 4.33Å; M127-L159 HydrophobicContact SD-CD1 4.15Å |
| 128 | I | 93.3 | Very high | 90.7 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.3 | -42.7 | 178.9 | -66 | 172.1 | 0 | 0 | 0 | 111.4 | T124 T125 N130 L131 A139 I142 M143 Y150 V155 | T124-I128 HydrophobicContact CG2-CD1 4.17Å; T124-I128 WeakPolarHBondContact O-CG1 3.5Å; T124-I128 PolarHBondContact O-N 3.3Å; T125-I128 PolarHBondContact O-N 2.87Å; I128-N130 PolarHBondContact O-N 2.87Å; I128-N130 VanDerWaalsContact O-N 3.11Å; I128-L131 HydrophobicContact CB-CD1 4.49Å; I128-L131 HydrophobicContact CG2-CD1 4.4Å; I128-L131 WeakPolarHBondContact O-CB 3.35Å; I128-L131 WeakPolarHBondContact O-CG 3.38Å; I128-L131 PolarHBondContact O-N 3.39Å; I128-L131 VanDerWaalsContact O-N 3.16Å; I128-A139 HydrophobicContact CG2-CB 3.67Å; I128-I142 HydrophobicContact CD1-CB 4.14Å; I128-I142 HydrophobicContact CD1-CG2 3.47Å; I128-I142 VanDerWaalsContact CD1-CG2 3.47Å; I128-M143 HydrophobicContact CD1-SD 4Å; I128-M143 HydrophobicContact CG2-CG 4.25Å; I128-M143 HydrophobicContact CG2-SD 4.12Å; I128-Y150 HydrophobicContact CD1-CE2 3.65Å; I128-V155 HydrophobicContact CD1-CG1 4.23Å; I128-V155 HydrophobicContact CG1-CG1 4.18Å |
| 129 | A | 91.8 | Very high | 90.8 | Very high | 80 Ų | 80 | 48.7 Ų | 48.7 | 66% | 0.661 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61 | -21.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T125 | T125-A129 WeakPolarHBondContact O-CB 3.32Å; T125-A129 PolarHBondContact O-N 3.33Å |
| 130 | N | 93.6 | Very high | 90.9 | Very high | 20 Ų | 20 | 44.1 Ų | 44.1 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 8.5 | -177.8 | -83.8 | -54.6 | 0 | 0 | 0 | 114.4 | I87 N89 K90 C91 Y100 I126 M127 I128 | I87-N130 PolarHBondContact O-ND2 3.44Å; I87-N130 PolarHBondContact O-OD1 3Å; N89-N130 WeakPolarHBondContact O-CB 3.42Å; K90-N130 WeakPolarHBondContact CG-OD1 3.41Å; C91-N130 PolarHBondContact N-O 2.94Å; Y100-N130 VanDerWaalsContact OH-CB 3.3Å; Y100-N130 WeakPolarHBondContact OH-CB 3.31Å; I126-N130 WeakPolarHBondContact O-CB 3.46Å; I126-N130 PolarHBondContact O-N 2.84Å; I126-N130 PolarHBondContact O-ND2 3.25Å; M127-N130 PolarHBondContact O-N 3.09Å; I128-N130 PolarHBondContact O-N 2.87Å; I128-N130 VanDerWaalsContact O-N 3.11Å |
| 131 | L | 93.6 | Very high | 91.1 | Very high | 22 Ų | 22 | 44.5 Ų | 44.5 | 12% | 0.115 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -72.7 | 157.6 | 173 | -65.4 | 172.4 | 0 | 0 | 0 | 111.8 | M97 Y100 M127 I128 A139 L159 | M97-L131 HydrophobicContact CE-CD2 4.12Å; M97-L131 HydrophobicContact SD-CD2 4.38Å; Y100-L131 HydrophobicContact CD1-CD2 4.38Å; Y100-L131 HydrophobicContact CE1-CD2 3.87Å; M127-L131 WeakPolarHBondContact O-CG 3.35Å; I128-L131 HydrophobicContact CB-CD1 4.49Å; I128-L131 HydrophobicContact CG2-CD1 4.4Å; I128-L131 WeakPolarHBondContact O-CB 3.35Å; I128-L131 WeakPolarHBondContact O-CG 3.38Å; I128-L131 PolarHBondContact O-N 3.39Å; I128-L131 VanDerWaalsContact O-N 3.16Å; L131-A139 HydrophobicContact CD1-CB 4.47Å; L131-L159 HydrophobicContact CD1-CD1 4.41Å; L131-L159 HydrophobicContact CD1-CD2 3.59Å; L131-L159 HydrophobicContact CD2-CD1 4.18Å; L131-L159 HydrophobicContact CD2-CD2 4.15Å |
| 132 | L | 89.6 | Confident | 91.4 | Very high | 35 Ų | 35 | 41.6 Ų | 41.6 | 18% | 0.183 | 26% | 0.262 | C | S | . | . | trans | -69.2 | 150.2 | 170.3 | -74.7 | 87.1 | 0 | 0 | 0 | 110.5 | C91 Q93 S134 Y135 | C91-L132 HydrophobicContact CB-CD1 3.74Å; C91-L132 WeakPolarHBondContact O-CD1 3.37Å; Q93-L132 HydrophobicContact CB-CD2 3.67Å; Q93-L132 HydrophobicContact CG-CD2 3.73Å; L132-S134 PolarHBondContact O-N 3.01Å; L132-Y135 HydrophobicContact CB-CD2 4.2Å; L132-Y135 WeakPolarHBondContact O-CB 3.5Å; L132-Y135 PolarHBondContact O-N 2.88Å | ||
| 133 | S | 86 | Confident | 91.4 | Very high | 94 Ų | 94 | 42.3 Ų | 42.3 | 66% | 0.657 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -52.1 | -24.8 | 174.2 | 59.6 | 0 | 0 | 0 | 0 | 114.3 | Y135 D136 | S133-Y135 PolarHBondContact O-N 3.24Å; S133-Y135 VanDerWaalsContact O-N 3.17Å; S133-D136 WeakPolarHBondContact CA-OD1 3.37Å; S133-D136 WeakPolarHBondContact CA-OD2 3.28Å; S133-D136 WeakPolarHBondContact CB-OD2 3.46Å; S133-D136 WeakPolarHBondContact O-CB 3.37Å; S133-D136 PolarHBondContact O-N 3.02Å; S133-D136 VanDerWaalsContact O-N 3.12Å |
| 134 | S | 86.4 | Confident | 91.3 | Very high | 56 Ų | 56 | 48.6 Ų | 48.6 | 39% | 0.392 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -61.4 | -23.1 | 174.3 | 77.8 | 0 | 0 | 0 | 0 | 113.4 | L132 R166 | L132-S134 PolarHBondContact O-N 3.01Å; S134-R166 PolarHBondContact O-NH1 2.99Å; S134-R166 PolarHBondContact O-NH2 2.81Å; S134-R166 PolarHBondContact OG-NH1 2.75Å |
| 135 | Y | 91.8 | Very high | 91.3 | Very high | 18 Ų | 18 | 51.2 Ų | 51.2 | 7% | 0.071 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -94.7 | 0.8 | 178.4 | -68.2 | -90.3 | 0 | 0 | 0 | 113.2 | M97 L132 S133 S137 V138 A139 E162 | M97-Y135 HydrophobicContact CE-CD1 4.17Å; M97-Y135 HydrophobicContact CE-CD2 4.5Å; M97-Y135 HydrophobicContact CE-CE1 3.54Å; M97-Y135 HydrophobicContact CE-CE2 3.91Å; L132-Y135 HydrophobicContact CB-CD2 4.2Å; L132-Y135 WeakPolarHBondContact O-CB 3.5Å; L132-Y135 PolarHBondContact O-N 2.88Å; S133-Y135 PolarHBondContact O-N 3.24Å; S133-Y135 VanDerWaalsContact O-N 3.17Å; Y135-S137 PolarHBondContact O-N 2.93Å; Y135-V138 PolarHBondContact O-N 2.78Å; Y135-A139 PolarHBondContact O-N 2.87Å; Y135-E162 HydrophobicContact CD1-CG 3.93Å; Y135-E162 HydrophobicContact CE1-CG 3.98Å |
| 136 | D | 90.1 | Very high | 91.1 | Very high | 97 Ų | 97 | 53.3 Ų | 53.3 | 52% | 0.519 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -52 | -36.5 | -175.6 | -71 | -15.9 | 0 | 0 | 0 | 113 | S133 A139 A140 | S133-D136 WeakPolarHBondContact CA-OD1 3.37Å; S133-D136 WeakPolarHBondContact CA-OD2 3.28Å; S133-D136 WeakPolarHBondContact CB-OD2 3.46Å; S133-D136 WeakPolarHBondContact O-CB 3.37Å; S133-D136 PolarHBondContact O-N 3.02Å; S133-D136 VanDerWaalsContact O-N 3.12Å; D136-A139 PolarHBondContact O-N 3.34Å; D136-A140 VanDerWaalsContact O-CB 3.28Å; D136-A140 WeakPolarHBondContact O-CB 3.35Å; D136-A140 PolarHBondContact O-N 2.94Å |
| 137 | S | 88.2 | Confident | 90.7 | Very high | 77 Ų | 77 | 59.2 Ų | 59.2 | 54% | 0.538 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 177.9 | 64.2 | 0 | 0 | 0 | 0 | 113 | Y135 V141 | Y135-S137 PolarHBondContact O-N 2.93Å; S137-V141 WeakPolarHBondContact O-CG2 3.26Å; S137-V141 PolarHBondContact O-N 3.28Å |
| 138 | V | 92 | Very high | 90.4 | Very high | 23 Ų | 23 | 69.8 Ų | 69.8 | 14% | 0.139 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -79.2 | -36.9 | 177.8 | 172 | 0 | 0 | 0 | 0 | 110.6 | Y135 A140 V141 I142 E162 | Y135-V138 PolarHBondContact O-N 2.78Å; V138-A140 VanDerWaalsContact C-N 3.35Å; V138-A140 PolarHBondContact O-N 3.49Å; V138-V141 PolarHBondContact O-N 2.89Å; V138-I142 HydrophobicContact CG1-CD1 3.63Å; V138-I142 HydrophobicContact CG1-CG1 4.23Å; V138-I142 VanDerWaalsContact O-CG1 3.28Å; V138-I142 WeakPolarHBondContact O-CG1 3.33Å; V138-I142 PolarHBondContact O-N 3.21Å; V138-E162 HydrophobicContact CB-CG 4.18Å; V138-E162 HydrophobicContact CG1-CB 4.3Å; V138-E162 HydrophobicContact CG1-CG 4.39Å; V138-E162 HydrophobicContact CG2-CB 4.1Å; V138-E162 HydrophobicContact CG2-CG 3.52Å |
| 139 | A | 91.4 | Very high | 90.1 | Very high | 11 Ų | 11 | 73.8 Ų | 73.8 | 9% | 0.091 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -55.9 | -49 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I128 L131 Y135 D136 V141 I142 M143 | I128-A139 HydrophobicContact CG2-CB 3.67Å; L131-A139 HydrophobicContact CD1-CB 4.47Å; Y135-A139 PolarHBondContact O-N 2.87Å; D136-A139 PolarHBondContact O-N 3.34Å; A139-V141 VanDerWaalsContact C-N 3.29Å; A139-V141 PolarHBondContact O-N 3.39Å; A139-I142 PolarHBondContact O-N 3.22Å; A139-I142 VanDerWaalsContact O-N 3.16Å; A139-M143 WeakPolarHBondContact O-CB 3.2Å; A139-M143 VanDerWaalsContact O-CG 3.23Å; A139-M143 WeakPolarHBondContact O-CG 3.34Å; A139-M143 PolarHBondContact O-N 3.45Å |
| 140 | A | 90.7 | Very high | 90.1 | Very high | 53 Ų | 53 | 71.1 Ų | 71.1 | 44% | 0.438 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.5 | -35.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D136 V138 N144 | D136-A140 VanDerWaalsContact O-CB 3.28Å; D136-A140 WeakPolarHBondContact O-CB 3.35Å; D136-A140 PolarHBondContact O-N 2.94Å; V138-A140 VanDerWaalsContact C-N 3.35Å; V138-A140 PolarHBondContact O-N 3.49Å; A140-N144 PolarHBondContact O-ND2 3.28Å; A140-N144 VanDerWaalsContact O-ND2 3.08Å |
| 141 | V | 92.1 | Very high | 90.1 | Very high | 88 Ų | 88 | 72.4 Ų | 72.4 | 53% | 0.533 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69.3 | -43.1 | 174.9 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | S137 V138 A139 N144 W145 | S137-V141 WeakPolarHBondContact O-CG2 3.26Å; S137-V141 PolarHBondContact O-N 3.28Å; V138-V141 PolarHBondContact O-N 2.89Å; A139-V141 VanDerWaalsContact C-N 3.29Å; A139-V141 PolarHBondContact O-N 3.39Å; V141-N144 PolarHBondContact O-N 2.93Å; V141-W145 PolarHBondContact O-NE1 3.18Å |
| 142 | I | 93.7 | Very high | 90 | Very high | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.7 | -39.1 | -179.4 | -65 | 166 | 0 | 0 | 0 | 111.1 | I128 V138 A139 N144 W145 Y150 V155 A158 L159 | I128-I142 HydrophobicContact CD1-CB 4.14Å; I128-I142 HydrophobicContact CD1-CG2 3.47Å; I128-I142 VanDerWaalsContact CD1-CG2 3.47Å; V138-I142 HydrophobicContact CG1-CD1 3.63Å; V138-I142 HydrophobicContact CG1-CG1 4.23Å; V138-I142 VanDerWaalsContact O-CG1 3.28Å; V138-I142 WeakPolarHBondContact O-CG1 3.33Å; V138-I142 PolarHBondContact O-N 3.21Å; A139-I142 PolarHBondContact O-N 3.22Å; A139-I142 VanDerWaalsContact O-N 3.16Å; I142-N144 PolarHBondContact O-N 3.39Å; I142-N144 VanDerWaalsContact O-N 3.14Å; I142-W145 HydrophobicContact CB-CD2 4.47Å; I142-W145 HydrophobicContact CG1-CH2 4.31Å; I142-W145 HydrophobicContact CG1-CZ2 4.04Å; I142-W145 HydrophobicContact CG2-CD2 4.25Å; I142-W145 HydrophobicContact CG2-CE3 4.04Å; I142-W145 HydrophobicContact CG2-CZ3 4.37Å; I142-W145 VanDerWaalsContact O-CB 3.26Å; I142-W145 WeakPolarHBondContact O-CB 3.36Å; I142-W145 PolarHBondContact O-N 2.81Å; I142-Y150 HydrophobicContact CG2-CD2 4.09Å; I142-Y150 HydrophobicContact CG2-CE2 3.97Å; I142-V155 HydrophobicContact CD1-CG1 4.26Å; I142-V155 HydrophobicContact CG2-CB 4.48Å; I142-V155 HydrophobicContact CG2-CG1 4.13Å; I142-V155 HydrophobicContact CG2-CG2 3.61Å; I142-A158 HydrophobicContact CD1-CB 3.92Å; I142-A158 HydrophobicContact CG1-CB 4.37Å; I142-L159 HydrophobicContact CD1-CD2 4.25Å |
| 143 | M | 90 | Very high | 90 | Very high | 100 Ų | 100 | 74.5 Ų | 74.5 | 49% | 0.493 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18.2 | 176.6 | -70.3 | -62.7 | -62.6 | 0 | 0 | 113.4 | I128 A139 Y150 | I128-M143 HydrophobicContact CD1-SD 4Å; I128-M143 HydrophobicContact CG2-CG 4.25Å; I128-M143 HydrophobicContact CG2-SD 4.12Å; A139-M143 WeakPolarHBondContact O-CB 3.2Å; A139-M143 VanDerWaalsContact O-CG 3.23Å; A139-M143 WeakPolarHBondContact O-CG 3.34Å; A139-M143 PolarHBondContact O-N 3.45Å; M143-Y150 HydrophobicContact SD-CE2 4.18Å; M143-Y150 PolarHBondContact SD-OH 3.15Å |
| 144 | N | 91 | Very high | 90.3 | Very high | 143 Ų | 143 | 72.7 Ų | 72.7 | 77% | 0.765 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 7.9 | 175.4 | -70.9 | -34.9 | 0 | 0 | 0 | 113.2 | A140 V141 I142 | A140-N144 PolarHBondContact O-ND2 3.28Å; A140-N144 VanDerWaalsContact O-ND2 3.08Å; V141-N144 PolarHBondContact O-N 2.93Å; I142-N144 PolarHBondContact O-N 3.39Å; I142-N144 VanDerWaalsContact O-N 3.14Å |
| 145 | W | 94 | Very high | 90.7 | Very high | 55 Ų | 55 | 70 Ų | 70 | 21% | 0.208 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -71.9 | 151.1 | 174.8 | -73.2 | 2.7 | 0 | 0 | 0 | 111.5 | V141 I142 K149 N154 V155 A158 | V141-W145 PolarHBondContact O-NE1 3.18Å; I142-W145 HydrophobicContact CB-CD2 4.47Å; I142-W145 HydrophobicContact CG1-CH2 4.31Å; I142-W145 HydrophobicContact CG1-CZ2 4.04Å; I142-W145 HydrophobicContact CG2-CD2 4.25Å; I142-W145 HydrophobicContact CG2-CE3 4.04Å; I142-W145 HydrophobicContact CG2-CZ3 4.37Å; I142-W145 VanDerWaalsContact O-CB 3.26Å; I142-W145 WeakPolarHBondContact O-CB 3.36Å; I142-W145 PolarHBondContact O-N 2.81Å; W145-K149 HydrophobicContact CB-CB 4.33Å; W145-K149 HydrophobicContact CB-CD 4.34Å; W145-K149 HydrophobicContact CD2-CD 3.69Å; W145-K149 HydrophobicContact CD2-CG 4.03Å; W145-K149 HydrophobicContact CE3-CB 4.35Å; W145-K149 HydrophobicContact CE3-CD 3.82Å; W145-K149 HydrophobicContact CE3-CG 3.64Å; W145-K149 HydrophobicContact CG-CD 3.95Å; W145-K149 HydrophobicContact CG-CG 4.46Å; W145-K149 HydrophobicContact CZ3-CD 4.28Å; W145-K149 HydrophobicContact CZ3-CG 4.04Å; W145-N154 HydrophobicContact CZ3-CB 3.98Å; W145-V155 HydrophobicContact CE3-CG2 4.38Å; W145-V155 HydrophobicContact CZ3-CG2 4.11Å; W145-A158 HydrophobicContact CH2-CB 3.65Å; W145-A158 HydrophobicContact CZ2-CB 4.14Å |
| 146 | D | 88.2 | Confident | 90.8 | Very high | 105 Ų | 105 | 71.8 Ų | 71.8 | 56% | 0.561 | 37% | 0.367 | S | S | * | . | trans | -59.6 | 149.2 | 168.7 | 178.5 | 49.5 | 0 | 0 | 0 | 111.1 | R148 K149 Y150 | D146-R148 PolarHBondContact O-N 3.23Å; D146-R148 WeakPolarHBondContact OD2-CB 3.47Å; D146-R148 PolarHBondContact OD2-N 3.03Å; D146-K149 WeakPolarHBondContact O-CA 3.45Å; D146-K149 WeakPolarHBondContact O-CB 3.22Å; D146-K149 PolarHBondContact O-N 2.9Å; D146-Y150 PolarHBondContact O-N 3.39Å | ||
| 147 | E | 84 | Confident | 90.9 | Very high | 152 Ų | 152 | 73.3 Ų | 73.3 | 71% | 0.71 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -34.8 | -173.9 | -165 | 171 | -167.4 | 0 | 0 | 111.9 | K149 Y150 | E147-K149 PolarHBondContact O-N 2.94Å; E147-Y150 PolarHBondContact O-N 2.91Å |
| 148 | R | 86.1 | Confident | 91.1 | Very high | 222 Ų | 222 | 70.6 Ų | 70.6 | 84% | 0.838 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -27.9 | 175.6 | -59.6 | -177.4 | -174.9 | -167.6 | 2.3 | 113.1 | D146 | D146-R148 PolarHBondContact O-N 3.23Å; D146-R148 WeakPolarHBondContact OD2-CB 3.47Å; D146-R148 PolarHBondContact OD2-N 3.03Å |
| 149 | K | 88.5 | Confident | 91.2 | Very high | 97 Ų | 97 | 69.5 Ų | 69.5 | 42% | 0.422 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -25.2 | 178.5 | -166.3 | -177.3 | 177.3 | -174.8 | 0 | 111.4 | W145 D146 E147 V151 N154 | W145-K149 HydrophobicContact CB-CB 4.33Å; W145-K149 HydrophobicContact CB-CD 4.34Å; W145-K149 HydrophobicContact CD2-CD 3.69Å; W145-K149 HydrophobicContact CD2-CG 4.03Å; W145-K149 HydrophobicContact CE3-CB 4.35Å; W145-K149 HydrophobicContact CE3-CD 3.82Å; W145-K149 HydrophobicContact CE3-CG 3.64Å; W145-K149 HydrophobicContact CG-CD 3.95Å; W145-K149 HydrophobicContact CG-CG 4.46Å; W145-K149 HydrophobicContact CZ3-CD 4.28Å; W145-K149 HydrophobicContact CZ3-CG 4.04Å; D146-K149 WeakPolarHBondContact O-CA 3.45Å; D146-K149 WeakPolarHBondContact O-CB 3.22Å; D146-K149 PolarHBondContact O-N 2.9Å; E147-K149 PolarHBondContact O-N 2.94Å; K149-V151 PolarHBondContact O-N 3.45Å; K149-N154 VanDerWaalsContact O-CB 3.25Å; K149-N154 WeakPolarHBondContact O-CB 3.46Å; K149-N154 PolarHBondContact O-ND2 3.16Å |
| 150 | Y | 92.2 | Very high | 91.4 | Very high | 24 Ų | 24 | 70.9 Ų | 70.9 | 9% | 0.094 | 35% | 0.353 | C | S | . | . | trans | -78 | 59 | -179.6 | -164.2 | -99.4 | 0 | 0 | 0 | 112.4 | D121 T124 T125 I128 I142 M143 D146 E147 | D121-Y150 HydrophobicContact CB-CD1 4.38Å; T124-Y150 HydrophobicContact CG2-CD1 4.17Å; T124-Y150 HydrophobicContact CG2-CD2 4.25Å; T124-Y150 HydrophobicContact CG2-CE1 3.79Å; T124-Y150 HydrophobicContact CG2-CE2 3.88Å; T124-Y150 HydrophobicContact CG2-CG 4.39Å; T125-Y150 VanDerWaalsContact CA-OH 3.3Å; T125-Y150 WeakPolarHBondContact CA-OH 3.48Å; T125-Y150 PolarHBondContact N-OH 3.33Å; T125-Y150 PolarHBondContact OG1-OH 3.3Å; I128-Y150 HydrophobicContact CD1-CE2 3.65Å; I142-Y150 HydrophobicContact CG2-CD2 4.09Å; I142-Y150 HydrophobicContact CG2-CE2 3.97Å; M143-Y150 HydrophobicContact SD-CE2 4.18Å; M143-Y150 PolarHBondContact SD-OH 3.15Å; D146-Y150 PolarHBondContact O-N 3.39Å; E147-Y150 PolarHBondContact O-N 2.91Å | ||
| 151 | V | 91.8 | Very high | 91.4 | Very high | 47 Ų | 47 | 72.5 Ų | 72.5 | 29% | 0.285 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -118.4 | 156.9 | 177.2 | -67.9 | 0 | 0 | 0 | 0 | 110.6 | K149 D153 N154 V155 | K149-V151 PolarHBondContact O-N 3.45Å; V151-D153 VanDerWaalsContact C-N 3.32Å; V151-D153 PolarHBondContact O-N 2.85Å; V151-N154 HydrophobicContact CG2-CB 4.07Å; V151-N154 VanDerWaalsContact CG2-ND2 3.35Å; V151-N154 WeakPolarHBondContact CG2-ND2 3.16Å; V151-N154 PolarHBondContact O-N 3.03Å; V151-V155 PolarHBondContact O-N 2.94Å; V151-V155 VanDerWaalsContact O-N 3.15Å |
| 152 | F | 91.7 | Very high | 91.4 | Very high | 7 Ų | 7 | 69.1 Ų | 69.1 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.1 | -45 | -167.5 | -178.4 | -88.9 | 0 | 0 | 0 | 113.2 | V101 T104 K105 D120 L123 M127 V155 K156 | V101-F152 HydrophobicContact CG1-CE1 4.09Å; V101-F152 HydrophobicContact CG1-CZ 3.8Å; T104-F152 HydrophobicContact CG2-CE2 4.18Å; K105-F152 HydrophobicContact CB-CE1 4.33Å; K105-F152 HydrophobicContact CB-CZ 3.94Å; K105-F152 HydrophobicContact CD-CE1 3.93Å; K105-F152 HydrophobicContact CD-CZ 4.4Å; K105-F152 HydrophobicContact CG-CE1 4.34Å; K105-F152 HydrophobicContact CG-CZ 4.36Å; D120-F152 PolarHBondContact OD2-N 2.98Å; L123-F152 HydrophobicContact CD2-CD2 3.5Å; L123-F152 VanDerWaalsContact CD2-CD2 3.5Å; L123-F152 HydrophobicContact CD2-CE2 3.81Å; L123-F152 HydrophobicContact CD2-CG 4.29Å; L123-F152 HydrophobicContact CG-CD2 3.84Å; L123-F152 HydrophobicContact CG-CE2 4.1Å; M127-F152 HydrophobicContact CE-CD2 4.46Å; M127-F152 HydrophobicContact CE-CE2 4.41Å; M127-F152 HydrophobicContact SD-CE2 3.98Å; M127-F152 HydrophobicContact SD-CZ 4.45Å; F152-V155 PolarHBondContact O-N 2.98Å; F152-K156 WeakPolarHBondContact O-CB 3.47Å; F152-K156 PolarHBondContact O-N 3.48Å |
| 153 | D | 91.1 | Very high | 91.3 | Very high | 95 Ų | 95 | 71.6 Ų | 71.6 | 51% | 0.508 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.5 | -37.3 | -175.8 | -71.1 | -31.9 | 0 | 0 | 0 | 112.5 | K105 V151 K156 E157 | K105-D153 IonicContact NZ-OD1 3.15Å; V151-D153 VanDerWaalsContact C-N 3.32Å; V151-D153 PolarHBondContact O-N 2.85Å; D153-K156 WeakPolarHBondContact O-CB 3.3Å; D153-K156 PolarHBondContact O-N 3.05Å; D153-E157 PolarHBondContact O-N 3.16Å |
| 154 | N | 92.3 | Very high | 91.2 | Very high | 56 Ų | 56 | 70.1 Ų | 70.1 | 30% | 0.299 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.5 | -39.9 | 176.7 | -70.8 | -11.6 | 0 | 0 | 0 | 111.7 | W145 K149 V151 E157 A158 | W145-N154 HydrophobicContact CZ3-CB 3.98Å; K149-N154 VanDerWaalsContact O-CB 3.25Å; K149-N154 WeakPolarHBondContact O-CB 3.46Å; K149-N154 PolarHBondContact O-ND2 3.16Å; V151-N154 HydrophobicContact CG2-CB 4.07Å; V151-N154 VanDerWaalsContact CG2-ND2 3.35Å; V151-N154 WeakPolarHBondContact CG2-ND2 3.16Å; V151-N154 PolarHBondContact O-N 3.03Å; N154-E157 PolarHBondContact O-N 3.49Å; N154-A158 PolarHBondContact O-N 3.45Å; N154-A158 VanDerWaalsContact O-N 3.09Å |
| 155 | V | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.1 | -39.5 | 177.3 | 178 | 0 | 0 | 0 | 0 | 110.8 | T124 M127 I128 I142 W145 V151 F152 E157 A158 L159 | T124-V155 HydrophobicContact CG2-CB 3.73Å; T124-V155 HydrophobicContact CG2-CG1 3.91Å; T124-V155 HydrophobicContact CG2-CG2 3.27Å; M127-V155 HydrophobicContact CE-CB 3.85Å; M127-V155 HydrophobicContact CE-CG1 3.31Å; I128-V155 HydrophobicContact CD1-CG1 4.23Å; I128-V155 HydrophobicContact CG1-CG1 4.18Å; I142-V155 HydrophobicContact CD1-CG1 4.26Å; I142-V155 HydrophobicContact CG2-CB 4.48Å; I142-V155 HydrophobicContact CG2-CG1 4.13Å; I142-V155 HydrophobicContact CG2-CG2 3.61Å; W145-V155 HydrophobicContact CE3-CG2 4.38Å; W145-V155 HydrophobicContact CZ3-CG2 4.11Å; V151-V155 PolarHBondContact O-N 2.94Å; V151-V155 VanDerWaalsContact O-N 3.15Å; F152-V155 PolarHBondContact O-N 2.98Å; V155-E157 VanDerWaalsContact C-N 3.32Å; V155-E157 PolarHBondContact O-N 3.09Å; V155-A158 PolarHBondContact O-N 3.02Å; V155-L159 HydrophobicContact CG1-CD1 4.06Å; V155-L159 HydrophobicContact CG1-CG 4.29Å; V155-L159 WeakPolarHBondContact O-CG 3.22Å; V155-L159 PolarHBondContact O-N 3.12Å |
| 156 | K | 93.7 | Very high | 90.8 | Very high | 55 Ų | 55 | 68 Ų | 68 | 24% | 0.239 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -51.2 | -52.4 | 169.1 | 165.2 | 177.4 | -176 | 170.1 | 0 | 110.8 | E98 V101 F152 D153 A158 L159 L160 | E98-K156 WeakPolarHBondContact OE1-CE 3.35Å; E98-K156 IonicContact OE1-NZ 2.83Å; E98-K156 PolarHBondContact OE1-NZ 3.11Å; E98-K156 IonicContact OE2-NZ 3.44Å; V101-K156 HydrophobicContact CG1-CB 4.07Å; V101-K156 HydrophobicContact CG1-CD 3.78Å; V101-K156 HydrophobicContact CG1-CG 3.83Å; F152-K156 WeakPolarHBondContact O-CB 3.47Å; F152-K156 PolarHBondContact O-N 3.48Å; D153-K156 WeakPolarHBondContact O-CB 3.3Å; D153-K156 PolarHBondContact O-N 3.05Å; K156-A158 VanDerWaalsContact C-N 3.34Å; K156-A158 PolarHBondContact O-N 2.72Å; K156-L159 PolarHBondContact O-N 3.46Å; K156-L160 HydrophobicContact CD-CD1 4.4Å; K156-L160 HydrophobicContact CG-CD1 3.8Å; K156-L160 HydrophobicContact CG-CG 4.41Å; K156-L160 VanDerWaalsContact O-CG 3.31Å; K156-L160 WeakPolarHBondContact O-CG 3.46Å; K156-L160 PolarHBondContact O-N 3.28Å |
| 157 | E | 91.9 | Very high | 90.5 | Very high | 128 Ų | 128 | 67.3 Ų | 67.3 | 60% | 0.598 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.6 | -41.9 | -177.9 | -170.8 | 178.5 | -177.4 | 0 | 0 | 112.3 | D153 N154 V155 L160 T161 | D153-E157 PolarHBondContact O-N 3.16Å; N154-E157 PolarHBondContact O-N 3.49Å; V155-E157 VanDerWaalsContact C-N 3.32Å; V155-E157 PolarHBondContact O-N 3.09Å; E157-L160 PolarHBondContact O-N 3.4Å; E157-T161 WeakPolarHBondContact O-CB 3.45Å; E157-T161 PolarHBondContact O-N 3.44Å; E157-T161 PolarHBondContact O-OG1 3.06Å |
| 158 | A | 93.2 | Very high | 90.2 | Very high | 21 Ų | 21 | 65.9 Ų | 65.9 | 17% | 0.174 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I142 W145 N154 V155 K156 T161 E162 | I142-A158 HydrophobicContact CD1-CB 3.92Å; I142-A158 HydrophobicContact CG1-CB 4.37Å; W145-A158 HydrophobicContact CH2-CB 3.65Å; W145-A158 HydrophobicContact CZ2-CB 4.14Å; N154-A158 PolarHBondContact O-N 3.45Å; N154-A158 VanDerWaalsContact O-N 3.09Å; V155-A158 PolarHBondContact O-N 3.02Å; K156-A158 VanDerWaalsContact C-N 3.34Å; K156-A158 PolarHBondContact O-N 2.72Å; A158-T161 PolarHBondContact O-N 2.91Å; A158-E162 WeakPolarHBondContact O-CB 3.48Å; A158-E162 PolarHBondContact O-N 3.27Å |
| 159 | L | 95.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 178.4 | -68.2 | 176.7 | 0 | 0 | 0 | 111.9 | M97 M127 L131 I142 V155 K156 E162 Y163 | M97-L159 HydrophobicContact CE-CB 4.43Å; M97-L159 HydrophobicContact CG-CB 3.9Å; M97-L159 HydrophobicContact SD-CB 4Å; M97-L159 HydrophobicContact SD-CD1 4.35Å; M127-L159 HydrophobicContact CE-CD1 3.93Å; M127-L159 HydrophobicContact CG-CD1 4.33Å; M127-L159 HydrophobicContact SD-CD1 4.15Å; L131-L159 HydrophobicContact CD1-CD1 4.41Å; L131-L159 HydrophobicContact CD1-CD2 3.59Å; L131-L159 HydrophobicContact CD2-CD1 4.18Å; L131-L159 HydrophobicContact CD2-CD2 4.15Å; I142-L159 HydrophobicContact CD1-CD2 4.25Å; V155-L159 HydrophobicContact CG1-CD1 4.06Å; V155-L159 HydrophobicContact CG1-CG 4.29Å; V155-L159 WeakPolarHBondContact O-CG 3.22Å; V155-L159 PolarHBondContact O-N 3.12Å; K156-L159 PolarHBondContact O-N 3.46Å; L159-E162 PolarHBondContact O-N 3Å; L159-Y163 WeakPolarHBondContact O-CB 3.47Å; L159-Y163 PolarHBondContact O-N 2.97Å |
| 160 | L | 94 | Very high | 88.9 | Confident | 39 Ų | 39 | 59.4 Ų | 59.4 | 20% | 0.204 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 175.1 | -68 | 173.3 | 0 | 0 | 0 | 111.8 | M97 E98 K156 E157 Y163 C164 | M97-L160 HydrophobicContact CB-CD2 4.07Å; M97-L160 HydrophobicContact CG-CD2 4.08Å; E98-L160 HydrophobicContact CB-CD2 4.17Å; E98-L160 WeakPolarHBondContact OE2-CD1 3.07Å; E98-L160 VanDerWaalsContact OE2-CD2 3.26Å; E98-L160 WeakPolarHBondContact OE2-CD2 3.42Å; K156-L160 HydrophobicContact CD-CD1 4.4Å; K156-L160 HydrophobicContact CG-CD1 3.8Å; K156-L160 HydrophobicContact CG-CG 4.41Å; K156-L160 VanDerWaalsContact O-CG 3.31Å; K156-L160 WeakPolarHBondContact O-CG 3.46Å; K156-L160 PolarHBondContact O-N 3.28Å; E157-L160 PolarHBondContact O-N 3.4Å; L160-Y163 PolarHBondContact O-N 3.4Å; L160-C164 PolarHBondContact O-N 3.21Å |
| 161 | T | 91.9 | Very high | 87.4 | Confident | 88 Ų | 88 | 61.7 Ų | 61.7 | 54% | 0.54 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 175.8 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | E157 A158 Y163 C164 R165 | E157-T161 WeakPolarHBondContact O-CB 3.45Å; E157-T161 PolarHBondContact O-N 3.44Å; E157-T161 PolarHBondContact O-OG1 3.06Å; A158-T161 PolarHBondContact O-N 2.91Å; T161-Y163 VanDerWaalsContact C-N 3.34Å; T161-Y163 PolarHBondContact O-N 3.36Å; T161-C164 PolarHBondContact O-N 2.79Å; T161-R165 WeakPolarHBondContact O-CB 3.49Å; T161-R165 PolarHBondContact O-N 3.08Å |
| 162 | E | 90.8 | Very high | 85.5 | Confident | 17 Ų | 17 | 67 Ų | 67 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 177 | 177.5 | 61.9 | -172.4 | 0 | 0 | 111.9 | Y135 V138 A158 L159 R165 R166 | Y135-E162 HydrophobicContact CD1-CG 3.93Å; Y135-E162 HydrophobicContact CE1-CG 3.98Å; V138-E162 HydrophobicContact CB-CG 4.18Å; V138-E162 HydrophobicContact CG1-CB 4.3Å; V138-E162 HydrophobicContact CG1-CG 4.39Å; V138-E162 HydrophobicContact CG2-CB 4.1Å; V138-E162 HydrophobicContact CG2-CG 3.52Å; A158-E162 WeakPolarHBondContact O-CB 3.48Å; A158-E162 PolarHBondContact O-N 3.27Å; L159-E162 PolarHBondContact O-N 3Å; E162-R165 PolarHBondContact O-N 3.14Å; E162-R165 IonicContact OE1-CZ 2.78Å; E162-R165 IonicContact OE1-NE 3.39Å; E162-R165 IonicContact OE1-NH2 3.42Å; E162-R165 PolarHBondContact OE1-NH2 3.26Å; E162-R165 IonicContact OE2-CZ 3.85Å; E162-R165 IonicContact OE2-NE 3.93Å; E162-R165 PolarHBondContact OE2-NE 3.42Å; E162-R165 IonicContact OE2-NH2 3.95Å; E162-R165 PolarHBondContact OE2-NH2 2.82Å; E162-R166 VanDerWaalsContact O-CG 3.28Å; E162-R166 WeakPolarHBondContact O-CG 3.46Å; E162-R166 PolarHBondContact O-N 3.27Å; E162-R166 IonicContact OE1-CZ 3.42Å; E162-R166 VanDerWaalsContact OE1-CZ 3.25Å; E162-R166 IonicContact OE1-NE 3.94Å; E162-R166 PolarHBondContact OE1-NE 3.37Å; E162-R166 IonicContact OE1-NH2 3.61Å; E162-R166 PolarHBondContact OE1-NH2 2.66Å |
| 163 | Y | 93.3 | Very high | 83.4 | Confident | 52 Ų | 52 | 75 Ų | 75 | 20% | 0.204 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.4 | -50.1 | 173.8 | 179.1 | -95.2 | 0 | 0 | 0 | 111.3 | M97 L159 L160 T161 R165 R166 Q167 | M97-Y163 HydrophobicContact CB-CD1 4.35Å; M97-Y163 HydrophobicContact CB-CD2 3.76Å; M97-Y163 HydrophobicContact CB-CE2 4.48Å; M97-Y163 HydrophobicContact CB-CG 3.69Å; L159-Y163 WeakPolarHBondContact O-CB 3.47Å; L159-Y163 PolarHBondContact O-N 2.97Å; L160-Y163 PolarHBondContact O-N 3.4Å; T161-Y163 VanDerWaalsContact C-N 3.34Å; T161-Y163 PolarHBondContact O-N 3.36Å; Y163-R165 PolarHBondContact O-N 3.49Å; Y163-R166 WeakPolarHBondContact O-CB 3.39Å; Y163-R166 PolarHBondContact O-N 3.44Å; Y163-Q167 HydrophobicContact CD1-CG 4.19Å; Y163-Q167 HydrophobicContact CE1-CG 3.81Å; Y163-Q167 VanDerWaalsContact CZ-NE2 3.35Å; Y163-Q167 WeakPolarHBondContact O-CG 3.28Å; Y163-Q167 PolarHBondContact O-N 3.18Å; Y163-Q167 PolarHBondContact OH-NE2 3.42Å |
| 164 | C | 87.9 | Confident | 80.9 | Confident | 69 Ų | 69 | 72.6 Ų | 72.6 | 47% | 0.466 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 176.1 | -78.4 | 0 | 0 | 0 | 0 | 112.3 | L160 T161 R166 Q167 Q168 | L160-C164 PolarHBondContact O-N 3.21Å; T161-C164 PolarHBondContact O-N 2.79Å; C164-R166 VanDerWaalsContact C-N 3.3Å; C164-R166 PolarHBondContact O-N 3.24Å; C164-Q167 PolarHBondContact O-N 2.79Å; C164-Q168 WeakPolarHBondContact O-CG 3.33Å; C164-Q168 PolarHBondContact O-N 3.42Å |
| 165 | R | 88.8 | Confident | 78.1 | Confident | 97 Ų | 97 | 76.9 Ų | 76.9 | 37% | 0.366 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.1 | -42.2 | 176.4 | -168.3 | -168.4 | 68.8 | 74 | 2.1 | 111.6 | T161 E162 Y163 Q168 Q169 | T161-R165 WeakPolarHBondContact O-CB 3.49Å; T161-R165 PolarHBondContact O-N 3.08Å; E162-R165 PolarHBondContact O-N 3.14Å; E162-R165 IonicContact OE1-CZ 2.78Å; E162-R165 IonicContact OE1-NE 3.39Å; E162-R165 IonicContact OE1-NH2 3.42Å; E162-R165 PolarHBondContact OE1-NH2 3.26Å; E162-R165 IonicContact OE2-CZ 3.85Å; E162-R165 IonicContact OE2-NE 3.93Å; E162-R165 PolarHBondContact OE2-NE 3.42Å; E162-R165 IonicContact OE2-NH2 3.95Å; E162-R165 PolarHBondContact OE2-NH2 2.82Å; Y163-R165 PolarHBondContact O-N 3.49Å; R165-Q168 PolarHBondContact O-N 3.12Å; R165-Q169 VanDerWaalsContact NH1-CD 3.28Å; R165-Q169 WeakPolarHBondContact O-CG 3.5Å; R165-Q169 PolarHBondContact O-N 3.18Å; R165-Q169 VanDerWaalsContact O-N 3.09Å |
| 166 | R | 86.6 | Confident | 75.5 | Confident | 56 Ų | 56 | 81.7 Ų | 81.7 | 21% | 0.211 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 176.4 | -72.5 | 169.2 | -177.6 | -109.1 | -14.1 | 112.2 | S134 E162 Y163 C164 Q168 Q169 V170 | S134-R166 PolarHBondContact O-NH1 2.99Å; S134-R166 PolarHBondContact O-NH2 2.81Å; S134-R166 PolarHBondContact OG-NH1 2.75Å; E162-R166 VanDerWaalsContact O-CG 3.28Å; E162-R166 WeakPolarHBondContact O-CG 3.46Å; E162-R166 PolarHBondContact O-N 3.27Å; E162-R166 IonicContact OE1-CZ 3.42Å; E162-R166 VanDerWaalsContact OE1-CZ 3.25Å; E162-R166 IonicContact OE1-NE 3.94Å; E162-R166 PolarHBondContact OE1-NE 3.37Å; E162-R166 IonicContact OE1-NH2 3.61Å; E162-R166 PolarHBondContact OE1-NH2 2.66Å; Y163-R166 WeakPolarHBondContact O-CB 3.39Å; Y163-R166 PolarHBondContact O-N 3.44Å; C164-R166 VanDerWaalsContact C-N 3.3Å; C164-R166 PolarHBondContact O-N 3.24Å; R166-Q168 VanDerWaalsContact C-N 3.33Å; R166-Q168 PolarHBondContact O-N 2.94Å; R166-Q169 PolarHBondContact O-N 3.48Å; R166-V170 WeakPolarHBondContact O-CG2 3.42Å; R166-V170 PolarHBondContact O-N 3.08Å; R166-V170 VanDerWaalsContact O-N 3.08Å |
| 167 | Q | 82.3 | Confident | 72.7 | Confident | 91 Ų | 91 | 85.1 Ų | 85.1 | 43% | 0.425 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 176.7 | -66.8 | -59.3 | -22.7 | 0 | 0 | 111.5 | Y163 C164 Q169 V170 A171 | Y163-Q167 HydrophobicContact CD1-CG 4.19Å; Y163-Q167 HydrophobicContact CE1-CG 3.81Å; Y163-Q167 VanDerWaalsContact CZ-NE2 3.35Å; Y163-Q167 WeakPolarHBondContact O-CG 3.28Å; Y163-Q167 PolarHBondContact O-N 3.18Å; Y163-Q167 PolarHBondContact OH-NE2 3.42Å; C164-Q167 PolarHBondContact O-N 2.79Å; Q167-Q169 PolarHBondContact O-N 2.91Å; Q167-V170 WeakPolarHBondContact O-CB 3.46Å; Q167-V170 PolarHBondContact O-N 3.3Å; Q167-V170 VanDerWaalsContact O-N 3.16Å; Q167-A171 PolarHBondContact O-N 2.72Å |
| 168 | Q | 77.7 | Confident | 70.1 | Confident | 122 Ų | 122 | 87.4 Ų | 87.4 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.9 | -38.7 | 175.5 | -71.1 | 175.1 | -1.9 | 0 | 0 | 112.6 | C164 R165 R166 V170 A171 Q172 | C164-Q168 WeakPolarHBondContact O-CG 3.33Å; C164-Q168 PolarHBondContact O-N 3.42Å; R165-Q168 PolarHBondContact O-N 3.12Å; R166-Q168 VanDerWaalsContact C-N 3.33Å; R166-Q168 PolarHBondContact O-N 2.94Å; Q168-V170 VanDerWaalsContact C-N 3.29Å; Q168-V170 PolarHBondContact O-N 3.34Å; Q168-A171 PolarHBondContact O-N 2.99Å; Q168-Q172 WeakPolarHBondContact O-CB 3.25Å; Q168-Q172 WeakPolarHBondContact O-CG 3.33Å; Q168-Q172 PolarHBondContact O-N 3.02Å |
| 169 | Q | 76.4 | Confident | 67.3 | Low | 85 Ų | 85 | 91.4 Ų | 91.4 | 40% | 0.397 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.4 | -31 | 175 | -74.8 | -169.3 | -17.7 | 0 | 0 | 113.2 | R165 R166 Q167 R173 | R165-Q169 VanDerWaalsContact NH1-CD 3.28Å; R165-Q169 WeakPolarHBondContact O-CG 3.5Å; R165-Q169 PolarHBondContact O-N 3.18Å; R165-Q169 VanDerWaalsContact O-N 3.09Å; R166-Q169 PolarHBondContact O-N 3.48Å; Q167-Q169 PolarHBondContact O-N 2.91Å; Q169-R173 WeakPolarHBondContact O-CG 3.03Å |
| 170 | V | 71.9 | Confident | 64.1 | Low | 99 Ų | 99 | 98.8 Ų | 98.8 | 60% | 0.6 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -70.3 | -44.1 | 171.9 | 175.7 | 0 | 0 | 0 | 0 | 109.9 | R166 Q167 Q168 R173 G174 | R166-V170 WeakPolarHBondContact O-CG2 3.42Å; R166-V170 PolarHBondContact O-N 3.08Å; R166-V170 VanDerWaalsContact O-N 3.08Å; Q167-V170 WeakPolarHBondContact O-CB 3.46Å; Q167-V170 PolarHBondContact O-N 3.3Å; Q167-V170 VanDerWaalsContact O-N 3.16Å; Q168-V170 VanDerWaalsContact C-N 3.29Å; Q168-V170 PolarHBondContact O-N 3.34Å; V170-R173 PolarHBondContact O-N 3.12Å; V170-G174 PolarHBondContact O-N 2.79Å |
| 171 | A | 59.9 | Low | 61.3 | Low | 71 Ų | 71 | 102.7 Ų | 102.7 | 59% | 0.587 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.7 | -43.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q167 Q168 R173 G174 | Q167-A171 PolarHBondContact O-N 2.72Å; Q168-A171 PolarHBondContact O-N 2.99Å; A171-R173 PolarHBondContact O-N 3.17Å; A171-G174 PolarHBondContact O-N 2.83Å |
| 172 | Q | 51.4 | Low | 58.4 | Low | 158 Ų | 158 | 104.9 Ų | 104.9 | 74% | 0.738 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -17.8 | 178.5 | -72.2 | 178.2 | 9.6 | 0 | 0 | 114.2 | Q168 | Q168-Q172 WeakPolarHBondContact O-CB 3.25Å; Q168-Q172 WeakPolarHBondContact O-CG 3.33Å; Q168-Q172 PolarHBondContact O-N 3.02Å |
| 173 | R | 48.5 | Very low | 55.3 | Low | 177 Ų | 177 | 113.5 Ų | 113.5 | 67% | 0.668 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -14 | 173 | -74 | 179.2 | -179.9 | 159.2 | 10.2 | 112.6 | Q169 V170 A171 | Q169-R173 WeakPolarHBondContact O-CG 3.03Å; V170-R173 PolarHBondContact O-N 3.12Å; A171-R173 PolarHBondContact O-N 3.17Å |
| 174 | G | 36.9 | Very low | 52.1 | Low | 43 Ų | 43 | 117.3 Ų | 117.3 | 44% | 0.443 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -75.1 | 138.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V170 A171 A176 | V170-G174 PolarHBondContact O-N 2.79Å; A171-G174 PolarHBondContact O-N 2.83Å; G174-A176 PolarHBondContact O-N 3.24Å |
| 175 | D | 33.9 | Very low | 49 | Very low | 146 Ų | 146 | 124 Ų | 124 | 78% | 0.781 | 67% | 0.669 | S | S | * | * | trans | -46.1 | 138.6 | 178 | -91.9 | -44 | 0 | 0 | 0 | 112 | T177 | D175-T177 PolarHBondContact O-N 2.9Š| ||
| 176 | A | 38.9 | Very low | 46.1 | Very low | 102 Ų | 102 | 125.4 Ų | 125.4 | 84% | 0.843 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 52.2 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | G174 | G174-A176 PolarHBondContact O-N 3.24Š|
| 177 | T | 36.4 | Very low | 43.1 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | -4.6 | 176.3 | 47.3 | 0 | 0 | 0 | 0 | 115.6 | D175 | D175-T177 PolarHBondContact O-N 2.9Š|
| 178 | E | 36.1 | Very low | 40.3 | Very low | 177 Ų | 177 | 129.7 Ų | 129.7 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -117.1 | 8 | -178.6 | -70 | -174.4 | 166 | 0 | 0 | 115.5 | L180 | E178-L180 VanDerWaalsContact C-N 3.3Å; E178-L180 PolarHBondContact O-N 3.33Å |
| 179 | A | 34.1 | Very low | 37.8 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 27.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 180 | L | 29.3 | Very low | 35.5 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 82% | 0.817 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 10.3 | 179 | -157.2 | 67 | 0 | 0 | 0 | 114.8 | E178 | E178-L180 VanDerWaalsContact C-N 3.3Å; E178-L180 PolarHBondContact O-N 3.33Å |
| 181 | T | 34.6 | Very low | 33.3 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -136.7 | 68 | 177.6 | 47.4 | 0 | 0 | 0 | 0 | 112 | ||
| 182 | T | 29.7 | Very low | 31.6 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | -176.7 | 66.9 | 147.9 | 33.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 183 | K | 25.7 | Very low | 30.3 | Very low | 199 Ų | 199 | 142.3 Ų | 142.3 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | -95.7 | 83 | 159.3 | -81 | -171.9 | 177.7 | 178.7 | 0 | 108.4 | K185 | K183-K185 PolarHBondContact O-N 3.24Š| ||
| 184 | T | 28 | Very low | 29.3 | Very low | 132 Ų | 132 | 141.1 Ų | 141.1 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -66.7 | 118.2 | 152.8 | -1.7 | 0 | 0 | 0 | 0 | 106.7 | V186 | T184-V186 PolarHBondContact O-N 2.87Å; T184-V186 VanDerWaalsContact O-N 3.08Å | ||
| 185 | K | 22.6 | Very low | 29 | Very low | 209 Ų | 209 | 147 Ų | 147 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | -56.2 | 108.8 | 177.7 | -72.3 | 172.5 | 175.2 | 173.8 | 0 | 109.6 | K183 | K183-K185 PolarHBondContact O-N 3.24Š| ||
| 186 | V | 26.7 | Very low | 28.9 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | trans | -121.5 | 115.1 | 150.3 | -177.7 | 0 | 0 | 0 | 0 | 106.4 | T184 C188 | T184-V186 PolarHBondContact O-N 2.87Å; T184-V186 VanDerWaalsContact O-N 3.08Å; V186-C188 PolarHBondContact O-N 3.36Å | ||
| 187 | S | 23.8 | Very low | 28.7 | Very low | 114 Ų | 114 | 154.8 Ų | 154.8 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | trans | -67.6 | 107.6 | 178.1 | 52.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 188 | C | 24.6 | Very low | 28.5 | Very low | 123 Ų | 123 | 151 Ų | 151 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | trans | -119 | 81.9 | 155.3 | -77.5 | 0 | 0 | 0 | 0 | 107.8 | V186 | V186-C188 PolarHBondContact O-N 3.36Š| ||
| 189 | A | 24.6 | Very low | 28.7 | Very low | 88 Ų | 88 | 146.2 Ų | 146.2 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -64.4 | 146.2 | 152.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 190 | T | 27 | Very low | 29 | Very low | 135 Ų | 135 | 150.6 Ų | 150.6 | 83% | 0.828 | 81% | 0.81 | S | S | * | * | trans | 93.7 | 66.8 | 172.3 | -33.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 191 | V | 27.4 | Very low | 29.5 | Very low | 144 Ų | 144 | 154 Ų | 154 | 87% | 0.873 | 81% | 0.812 | S | S | * | * | -149.1 | 72.6 | 127.8 | -170.8 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 192 | R | 23.9 | Very low | 30.1 | Very low | 241 Ų | 241 | 157.1 Ų | 157.1 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -110.3 | 94.6 | 161.6 | -82.1 | -177.2 | 175.8 | 166.2 | -1.7 | 106.8 | ||||
| 193 | K | 24.6 | Very low | 30.9 | Very low | 192 Ų | 192 | 153.6 Ų | 153.6 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -171.6 | 136.7 | 155.8 | -102.3 | 160.4 | -170.2 | -173.4 | 0 | 108.5 | ||||
| 194 | N | 26.1 | Very low | 32.2 | Very low | 152 Ų | 152 | 153.3 Ų | 153.3 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | 90.1 | 65.1 | 169.9 | -57.6 | -17.4 | 0 | 0 | 0 | 118.9 | ||||
| 195 | I | 30.6 | Very low | 34.2 | Very low | 165 Ų | 165 | 150.8 Ų | 150.8 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -140.5 | 66.3 | 140.5 | -48.9 | 178.6 | 0 | 0 | 0 | 109.3 | ||||
| 196 | D | 32.5 | Very low | 36.6 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | -121.4 | 15.5 | 167.7 | -103.8 | -25.8 | 0 | 0 | 0 | 113.7 | ||||
| 197 | R | 33.8 | Very low | 38.9 | Very low | 256 Ų | 256 | 138.1 Ų | 138.1 | 97% | 0.966 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -101.4 | 14 | 175.3 | -70.2 | -172 | 175.6 | 175.8 | -0.8 | 114.9 | ||
| 198 | G | 32.6 | Very low | 41.1 | Very low | 45 Ų | 45 | 142 Ų | 142 | 46% | 0.464 | 72% | 0.723 | S | S | . | * | trans | -97.9 | -11.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q200 | G198-Q200 PolarHBondContact O-N 3.12Š| ||
| 199 | A | 40.1 | Very low | 43 | Very low | 78 Ų | 78 | 137.8 Ų | 137.8 | 65% | 0.645 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -67.6 | -31.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R201 | A199-R201 PolarHBondContact O-N 2.76Š|
| 200 | Q | 40.6 | Very low | 45.5 | Very low | 196 Ų | 196 | 135.2 Ų | 135.2 | 92% | 0.916 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -77.9 | -12.5 | -173.8 | -81.4 | 169.7 | -39 | 0 | 0 | 115.5 | G198 | G198-Q200 PolarHBondContact O-N 3.12Š|
| 201 | R | 40.5 | Very low | 47.5 | Very low | 226 Ų | 226 | 139.2 Ų | 139.2 | 85% | 0.853 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -90 | -4.2 | 178.5 | -73.9 | -171.7 | -179.2 | -177.5 | 1 | 114.9 | A199 G203 | A199-R201 PolarHBondContact O-N 2.76Å; R201-G203 VanDerWaalsContact C-N 3.31Å; R201-G203 PolarHBondContact O-N 3.48Å |
| 202 | R | 46.9 | Very low | 49.7 | Very low | 187 Ų | 187 | 141.1 Ų | 141.1 | 71% | 0.706 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -73.3 | -16.7 | -175.1 | -72.9 | -175.3 | 176.5 | 174.2 | 1.9 | 114.8 | K204 | R202-K204 VanDerWaalsContact C-N 3.34Å; R202-K204 PolarHBondContact O-N 2.56Å |
| 203 | G | 47.2 | Very low | 52.4 | Low | 59 Ų | 59 | 134.1 Ų | 134.1 | 61% | 0.608 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -67.9 | -21.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | R201 | R201-G203 VanDerWaalsContact C-N 3.31Å; R201-G203 PolarHBondContact O-N 3.48Å |
| 204 | K | 53.1 | Low | 54.8 | Low | 193 Ų | 193 | 127.4 Ų | 127.4 | 84% | 0.839 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -106.3 | 0.8 | -173.7 | -72.1 | -173.3 | 178.7 | -177.7 | 0 | 115.6 | R202 V206 | R202-K204 VanDerWaalsContact C-N 3.34Å; R202-K204 PolarHBondContact O-N 2.56Å; K204-V206 PolarHBondContact O-N 2.84Å |
| 205 | I | 69.5 | Low | 57.6 | Low | 80 Ų | 80 | 122.3 Ų | 122.3 | 41% | 0.41 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -80.1 | 119.5 | -178.7 | -71.2 | 173.2 | 0 | 0 | 0 | 110.1 | T213 G214 I216 | I205-T213 CarbonylContact O-C 3.52Å; I205-T213 VanDerWaalsContact O-CA 3.24Å; I205-T213 WeakPolarHBondContact O-CA 3.3Å; I205-G214 PolarHBondContact O-N 3.47Å; I205-I216 HydrophobicContact CG2-CG2 3.68Å |
| 206 | V | 73.3 | Confident | 59.8 | Low | 70 Ų | 70 | 117.6 Ų | 117.6 | 42% | 0.424 | 58% | 0.579 | S | S | . | * | B | Isolated β-bridge | trans | -89.3 | 126.5 | 174.3 | -177 | 0 | 0 | 0 | 0 | 109.6 | K204 F208 R211 T213 | K204-V206 PolarHBondContact O-N 2.84Å; V206-F208 PolarHBondContact O-N 3.41Å; V206-R211 HydrophobicContact CG1-CB 4.41Å; V206-R211 WeakPolarHBondContact CG1-O 3.42Å; V206-T213 HydrophobicContact CG2-CG2 3.8Å |
| 207 | C | 73.6 | Confident | 61.7 | Low | 0 Ų | 0 | 112.5 Ų | 112.5 | 0% | 0 | 56% | 0.559 | C | S | . | * | P | Polyproline II helix | trans | -69 | 117.7 | 176.3 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | S209 C210 R211 R212 H215 | C207-S209 PolarHBondContact O-N 3.37Å; C207-S209 VanDerWaalsContact O-N 3.13Å; C207-C210 PolarHBondContact O-N 3.06Å; C207-C210 VanDerWaalsContact SG-SG 3.64Å; C207-R211 WeakPolarHBondContact O-CA 3.46Å; C207-R211 PolarHBondContact O-N 3.15Å; C207-R212 VanDerWaalsContact CB-O 3.3Å; C207-R212 WeakPolarHBondContact CB-O 3.3Å; C207-R212 PolarHBondContact N-O 3.22Å; C207-H215 WeakPolarHBondContact CA-O 3.5Å; C207-H215 WeakPolarHBondContact CB-NE2 3.37Å; C207-H215 WeakPolarHBondContact CB-O 3.49Å; C207-H215 PolarHBondContact N-O 3.25Å; C207-H215 PolarHBondContact SG-NE2 3.09Å |
| 208 | F | 70.8 | Confident | 63.6 | Low | 196 Ų | 196 | 109.9 Ų | 109.9 | 86% | 0.86 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -18 | 178.8 | -68 | -83.2 | 0 | 0 | 0 | 114.9 | V206 | V206-F208 PolarHBondContact O-N 3.41Š|
| 209 | S | 65 | Low | 65.5 | Low | 34 Ų | 34 | 113.1 Ų | 113.1 | 24% | 0.238 | 55% | 0.552 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -86.1 | -40 | -180 | -179.3 | 0 | 0 | 0 | 0 | 112.7 | C207 A225 | C207-S209 PolarHBondContact O-N 3.37Å; C207-S209 VanDerWaalsContact O-N 3.13Å; S209-A225 WeakPolarHBondContact O-CB 3.14Å; S209-A225 PolarHBondContact OG-O 3.4Å |
| 210 | C | 76.2 | Confident | 67.2 | Low | 34 Ų | 34 | 109.9 Ų | 109.9 | 23% | 0.23 | 53% | 0.525 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 0.1 | -178.6 | 71.8 | 0 | 0 | 0 | 0 | 115.3 | C207 R212 H215 C220 | C207-C210 PolarHBondContact O-N 3.06Å; C207-C210 VanDerWaalsContact SG-SG 3.64Å; C210-R212 PolarHBondContact O-N 3.05Å; C210-R212 VanDerWaalsContact O-N 3.1Å; C210-H215 PolarHBondContact SG-CE1 2.98Å; C210-H215 PolarHBondContact SG-NE2 3.43Å; C210-H215 VanDerWaalsContact SG-NE2 3.35Å; C210-C220 VanDerWaalsContact SG-SG 3.6Å |
| 211 | R | 68.5 | Low | 68.8 | Low | 219 Ų | 219 | 112.7 Ų | 112.7 | 83% | 0.826 | 53% | 0.527 | S | S | * | . | trans | 55.1 | 17.5 | -176.5 | -56.6 | -166.8 | -170.1 | -172.5 | 4.5 | 116.4 | V206 C207 | V206-R211 HydrophobicContact CG1-CB 4.41Å; V206-R211 WeakPolarHBondContact CG1-O 3.42Å; C207-R211 WeakPolarHBondContact O-CA 3.46Å; C207-R211 PolarHBondContact O-N 3.15Å | ||
| 212 | R | 73.8 | Confident | 69.8 | Low | 184 Ų | 184 | 106.2 Ų | 106.2 | 69% | 0.694 | 51% | 0.509 | S | S | * | . | trans | -89.9 | 149.1 | 170.7 | -61.3 | -179.5 | -176.4 | 173.4 | 0 | 111.5 | C207 C210 | C207-R212 VanDerWaalsContact CB-O 3.3Å; C207-R212 WeakPolarHBondContact CB-O 3.3Å; C207-R212 PolarHBondContact N-O 3.22Å; C210-R212 PolarHBondContact O-N 3.05Å; C210-R212 VanDerWaalsContact O-N 3.1Å | ||
| 213 | T | 80.2 | Confident | 70 | Confident | 93 Ų | 93 | 106.8 Ų | 106.8 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | B | Isolated β-bridge | trans | -78.2 | 165.2 | 178.8 | 50 | 0 | 0 | 0 | 0 | 112.7 | I205 V206 | I205-T213 CarbonylContact O-C 3.52Å; I205-T213 VanDerWaalsContact O-CA 3.24Å; I205-T213 WeakPolarHBondContact O-CA 3.3Å; V206-T213 HydrophobicContact CG2-CG2 3.8Å |
| 214 | G | 76.8 | Confident | 69.7 | Low | 51 Ų | 51 | 108.7 Ų | 108.7 | 53% | 0.526 | 52% | 0.521 | S | S | . | . | S | Bend | trans | 90.4 | -3.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | I205 | I205-G214 PolarHBondContact O-N 3.47Š|
| 215 | H | 84.7 | Confident | 69 | Low | 45 Ų | 45 | 101.1 Ų | 101.1 | 21% | 0.208 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -152.2 | 167.4 | 177.1 | 71 | -73.8 | 0 | 0 | 0 | 112.6 | C207 C210 | C207-H215 WeakPolarHBondContact CA-O 3.5Å; C207-H215 WeakPolarHBondContact CB-NE2 3.37Å; C207-H215 WeakPolarHBondContact CB-O 3.49Å; C207-H215 PolarHBondContact N-O 3.25Å; C207-H215 PolarHBondContact SG-NE2 3.09Å; C210-H215 PolarHBondContact SG-CE1 2.98Å; C210-H215 PolarHBondContact SG-NE2 3.43Å; C210-H215 VanDerWaalsContact SG-NE2 3.35Å |
| 216 | I | 76.5 | Confident | 67.1 | Low | 66 Ų | 66 | 108.4 Ų | 108.4 | 34% | 0.338 | 52% | 0.517 | S | S | . | . | trans | -108 | 158.9 | 177 | 51.7 | 170.5 | 0 | 0 | 0 | 111.8 | I205 R218 Q219 C220 | I205-I216 HydrophobicContact CG2-CG2 3.68Å; I216-R218 HydrophobicContact CD1-CG 3.85Å; I216-R218 HydrophobicContact CG1-CG 4.05Å; I216-R218 PolarHBondContact O-N 3.22Å; I216-Q219 PolarHBondContact O-N 3.46Å; I216-C220 PolarHBondContact O-N 3.47Å | ||
| 217 | A | 72.7 | Confident | 65.2 | Low | 50 Ų | 50 | 111.1 Ų | 111.1 | 41% | 0.413 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -49.5 | -37.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q219 C220 | A217-Q219 PolarHBondContact O-N 2.96Å; A217-C220 WeakPolarHBondContact O-CB 3.46Å; A217-C220 PolarHBondContact O-N 2.92Å; A217-C220 VanDerWaalsContact O-N 3.1Å |
| 218 | R | 72.1 | Confident | 63 | Low | 202 Ų | 202 | 117.3 Ų | 117.3 | 76% | 0.762 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -64.9 | -21.6 | 178.4 | 76.6 | -178.8 | 172.7 | 90.2 | 2.3 | 114.5 | I216 | I216-R218 HydrophobicContact CD1-CG 3.85Å; I216-R218 HydrophobicContact CG1-CG 4.05Å; I216-R218 PolarHBondContact O-N 3.22Å |
| 219 | Q | 74.4 | Confident | 61.3 | Low | 113 Ų | 113 | 117 Ų | 117 | 53% | 0.528 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -102.9 | 2.8 | 178.5 | -67.9 | 173.3 | -23.8 | 0 | 0 | 111.8 | I216 A217 R221 | I216-Q219 PolarHBondContact O-N 3.46Å; A217-Q219 PolarHBondContact O-N 2.96Å; Q219-R221 PolarHBondContact O-N 3.21Å |
| 220 | C | 75.2 | Confident | 59.7 | Low | 10 Ų | 10 | 124.7 Ų | 124.7 | 7% | 0.068 | 60% | 0.603 | C | S | . | * | trans | -66.8 | 120.5 | -178.4 | -172 | 0 | 0 | 0 | 0 | 110.1 | C210 I216 A217 N222 | C210-C220 VanDerWaalsContact SG-SG 3.6Å; I216-C220 PolarHBondContact O-N 3.47Å; A217-C220 WeakPolarHBondContact O-CB 3.46Å; A217-C220 PolarHBondContact O-N 2.92Å; A217-C220 VanDerWaalsContact O-N 3.1Å; C220-N222 PolarHBondContact O-N 3.16Å | ||
| 221 | R | 73.6 | Confident | 57.2 | Low | 255 Ų | 255 | 132.7 Ų | 132.7 | 96% | 0.962 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -68.1 | -20.9 | 176.1 | -122.5 | 177.5 | 178.8 | -177.6 | -1.3 | 112.4 | Q219 K223 | Q219-R221 PolarHBondContact O-N 3.21Å; R221-K223 PolarHBondContact O-N 3.08Å |
| 222 | N | 60.8 | Low | 55.4 | Low | 89 Ų | 89 | 126.3 Ų | 126.3 | 48% | 0.476 | 63% | 0.632 | S | S | . | * | trans | -91.2 | 87.6 | 178.5 | -152.4 | 14.5 | 0 | 0 | 0 | 110.1 | C220 S224 | C220-N222 PolarHBondContact O-N 3.16Å; N222-S224 PolarHBondContact O-N 3.37Å; N222-S224 PolarHBondContact OD1-OG 3.26Å; N222-S224 VanDerWaalsContact OD1-OG 3.12Å | ||
| 223 | K | 51.6 | Low | 53 | Low | 200 Ų | 200 | 125.5 Ų | 125.5 | 87% | 0.87 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 8.3 | -175.2 | -69.6 | -176.2 | 179.2 | 176.9 | 0 | 114.6 | R221 | R221-K223 PolarHBondContact O-N 3.08Š|
| 224 | S | 41.4 | Very low | 50.5 | Low | 99 Ų | 99 | 128.9 Ų | 128.9 | 69% | 0.692 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -0.6 | -173.1 | 46.5 | 0 | 0 | 0 | 0 | 115.3 | N222 | N222-S224 PolarHBondContact O-N 3.37Å; N222-S224 PolarHBondContact OD1-OG 3.26Å; N222-S224 VanDerWaalsContact OD1-OG 3.12Å |
| 225 | A | 37.6 | Very low | 48.1 | Very low | 34 Ų | 34 | 137.2 Ų | 137.2 | 28% | 0.281 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -104.5 | 100.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S209 | S209-A225 WeakPolarHBondContact O-CB 3.14Å; S209-A225 PolarHBondContact OG-O 3.4Å |
| 226 | W | 29.2 | Very low | 45.3 | Very low | 233 Ų | 233 | 138.4 Ų | 138.4 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | trans | 74.4 | 118.9 | 165.8 | -69.1 | 67.9 | 0 | 0 | 0 | 119 | V228 | W226-V228 PolarHBondContact O-N 2.83Š| ||
| 227 | P | 33.5 | Very low | 42.9 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | -80.4 | 102.2 | 173.5 | 30.4 | -29.4 | 0 | 0 | 0 | 111.1 | Q229 | P227-Q229 PolarHBondContact O-N 3.24Š| ||
| 228 | V | 28.9 | Very low | 40.7 | Very low | 131 Ų | 131 | 146.5 Ų | 146.5 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | trans | -82.9 | 105.5 | 169.4 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | W226 | W226-V228 PolarHBondContact O-N 2.83Š| ||
| 229 | Q | 35.5 | Very low | 38.8 | Very low | 189 Ų | 189 | 139.5 Ų | 139.5 | 88% | 0.883 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 129.8 | 169.5 | -80.1 | -177.3 | -13 | 0 | 0 | 110.3 | P227 | P227-Q229 PolarHBondContact O-N 3.24Š|
| 230 | K | 29.9 | Very low | 36.6 | Very low | 195 Ų | 195 | 139.5 Ų | 139.5 | 85% | 0.848 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 141 | -170.4 | -78.3 | 176.8 | 173.4 | 177.8 | 0 | 113.2 | A232 | K230-A232 PolarHBondContact O-N 3.1Š|
| 231 | Q | 23.3 | Very low | 34.6 | Very low | 202 Ų | 202 | 140.7 Ų | 140.7 | 94% | 0.944 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -48 | 123.2 | 176.8 | -69.3 | 169.7 | -24.5 | 0 | 0 | 113.7 | ||
| 232 | A | 31.4 | Very low | 32.5 | Very low | 85 Ų | 85 | 136.2 Ų | 136.2 | 70% | 0.702 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 124.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | K230 | K230-A232 PolarHBondContact O-N 3.1Š|
| 233 | K | 24.6 | Very low | 31.5 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 73% | 0.73 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 140.8 | 173.3 | -95.2 | -176.7 | 171.8 | -176.6 | 0 | 110.7 | R235 | K233-R235 PolarHBondContact O-N 3.34Š|
| 234 | D | 26.6 | Very low | 31 | Very low | 164 Ų | 164 | 128.8 Ų | 128.8 | 88% | 0.877 | 68% | 0.678 | S | S | * | * | trans | -29.8 | 99.5 | 174.3 | -92.2 | -34.6 | 0 | 0 | 0 | 113.7 | ||||
| 235 | R | 26.7 | Very low | 31.5 | Very low | 225 Ų | 225 | 126.8 Ų | 126.8 | 85% | 0.849 | 66% | 0.659 | S | S | * | * | trans | -133.6 | 112.7 | 146.4 | -72.9 | -169.7 | 175.4 | -173.9 | -2.8 | 105 | K233 L237 | K233-R235 PolarHBondContact O-N 3.34Å; R235-L237 PolarHBondContact O-N 3.19Å | ||
| 236 | G | 25.1 | Very low | 32.5 | Very low | 71 Ų | 71 | 127.2 Ų | 127.2 | 73% | 0.732 | 66% | 0.663 | S | S | * | * | trans | -48.8 | 101.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | N238 | G236-N238 PolarHBondContact O-N 2.87Å; G236-N238 VanDerWaalsContact O-N 3.08Å | ||
| 237 | L | 26.7 | Very low | 34.7 | Very low | 126 Ų | 126 | 118.5 Ų | 118.5 | 66% | 0.66 | 63% | 0.634 | S | S | * | * | trans | -71.2 | 106.4 | 174.8 | -153.8 | 87.1 | 0 | 0 | 0 | 105.4 | R235 V239 R368 | R235-L237 PolarHBondContact O-N 3.19Å; L237-V239 HydrophobicContact CD2-CG2 4.48Å; L237-V239 PolarHBondContact O-N 3.22Å; L237-R368 PolarHBondContact O-NH2 2.84Å | ||
| 238 | N | 25.7 | Very low | 37.1 | Very low | 160 Ų | 160 | 112.8 Ų | 112.8 | 86% | 0.856 | 60% | 0.598 | S | S | * | * | trans | -63.7 | 82.5 | 167.8 | -89.9 | -25.9 | 0 | 0 | 0 | 108 | G236 Q240 | G236-N238 PolarHBondContact O-N 2.87Å; G236-N238 VanDerWaalsContact O-N 3.08Å; N238-Q240 PolarHBondContact O-N 3.41Å | ||
| 239 | V | 34.1 | Very low | 40.1 | Very low | 55 Ų | 55 | 106.8 Ų | 106.8 | 33% | 0.333 | 56% | 0.561 | S | S | . | * | trans | -60.7 | 107.2 | 159.3 | 178 | 0 | 0 | 0 | 0 | 105.1 | L237 L241 | L237-V239 HydrophobicContact CD2-CG2 4.48Å; L237-V239 PolarHBondContact O-N 3.22Å; V239-L241 HydrophobicContact CG1-CD1 4.23Å; V239-L241 PolarHBondContact O-N 3.07Å | ||
| 240 | Q | 28 | Very low | 42.8 | Very low | 113 Ų | 113 | 98.1 Ų | 98.1 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | trans | -58 | 91.4 | 169.7 | -83.3 | -179.8 | -73.4 | 0 | 0 | 108.2 | N238 E242 | N238-Q240 PolarHBondContact O-N 3.41Å; Q240-E242 VanDerWaalsContact C-N 3.27Å; Q240-E242 PolarHBondContact NE2-OE1 2.93Å; Q240-E242 PolarHBondContact O-N 3.49Å | ||
| 241 | L | 32.9 | Very low | 45.8 | Very low | 34 Ų | 34 | 89.4 Ų | 89.4 | 18% | 0.178 | 48% | 0.483 | C | S | . | . | trans | -84 | 76.4 | 167.1 | -101.7 | 127.2 | 0 | 0 | 0 | 107.2 | V239 A243 R368 | V239-L241 HydrophobicContact CG1-CD1 4.23Å; V239-L241 PolarHBondContact O-N 3.07Å; L241-A243 PolarHBondContact O-N 3.38Å; L241-R368 HydrophobicContact CD1-CB 4.34Å; L241-R368 HydrophobicContact CD1-CG 4.24Å | ||
| 242 | E | 29.7 | Very low | 49.1 | Very low | 161 Ų | 161 | 82.2 Ų | 82.2 | 75% | 0.752 | 45% | 0.451 | S | S | * | . | trans | -87.5 | 37.6 | 164 | -71.1 | -178 | -167.7 | 0 | 0 | 110.7 | Q240 T244 | Q240-E242 VanDerWaalsContact C-N 3.27Å; Q240-E242 PolarHBondContact NE2-OE1 2.93Å; Q240-E242 PolarHBondContact O-N 3.49Å; E242-T244 PolarHBondContact O-N 3.46Å | ||
| 243 | A | 39.2 | Very low | 51.8 | Low | 37 Ų | 37 | 83 Ų | 83 | 31% | 0.306 | 45% | 0.452 | S | S | . | . | trans | -73.2 | 116.6 | 156.1 | 0 | 0 | 0 | 0 | 0 | 105.6 | L241 N245 | L241-A243 PolarHBondContact O-N 3.38Å; A243-N245 PolarHBondContact O-N 2.82Å | ||
| 244 | T | 40.3 | Very low | 54.8 | Low | 97 Ų | 97 | 78 Ų | 78 | 60% | 0.595 | 45% | 0.447 | S | S | * | . | trans | -45.3 | 136.9 | 162.7 | 44.4 | 0 | 0 | 0 | 0 | 107.5 | E242 A246 D247 | E242-T244 PolarHBondContact O-N 3.46Å; T244-A246 PolarHBondContact O-N 2.96Å; T244-D247 PolarHBondContact O-N 2.91Å | ||
| 245 | N | 52.3 | Low | 57.8 | Low | 56 Ų | 56 | 70.7 Ų | 70.7 | 30% | 0.299 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -48.4 | -23.5 | -171.2 | -100.8 | -11.1 | 0 | 0 | 0 | 114 | A243 R322 D362 | A243-N245 PolarHBondContact O-N 2.82Å; N245-R322 VanDerWaalsContact C-NH1 3.28Å; N245-R322 PolarHBondContact O-NH1 3.45Å; N245-D362 PolarHBondContact ND2-OD2 2.78Å; N245-D362 VanDerWaalsContact ND2-OD2 3.13Å |
| 246 | A | 59.1 | Low | 60.7 | Low | 44 Ų | 44 | 65 Ų | 65 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -68.7 | -36.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | T244 A248 | T244-A246 PolarHBondContact O-N 2.96Å; A246-A248 VanDerWaalsContact C-N 3.31Å; A246-A248 PolarHBondContact O-N 2.85Å |
| 247 | D | 74.5 | Confident | 63.8 | Low | 49 Ų | 49 | 66 Ų | 66 | 26% | 0.262 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -94.5 | 33.9 | -174.4 | -74.5 | -26.4 | 0 | 0 | 0 | 112.6 | T244 W265 | T244-D247 PolarHBondContact O-N 2.91Å; D247-W265 WeakPolarHBondContact O-CH2 3.34Å |
| 248 | A | 85 | Confident | 67 | Low | 7 Ų | 7 | 60.4 Ų | 60.4 | 6% | 0.058 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -124.5 | 152.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A246 V366 | A246-A248 VanDerWaalsContact C-N 3.31Å; A246-A248 PolarHBondContact O-N 2.85Å; A248-V366 HydrophobicContact CB-CG1 3.6Å |
| 249 | F | 92 | Very high | 70.2 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 2% | 0.022 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 128.6 | 169.3 | -84 | -80.3 | 0 | 0 | 0 | 110.2 | C260 W265 V295 L311 N323 I325 L367 I371 | F249-C260 HydrophobicContact CE1-CB 4.37Å; F249-C260 HydrophobicContact CZ-CB 4.14Å; F249-W265 HydrophobicContact CD2-CZ3 4.06Å; F249-W265 AromaticContact CE2-CE3 3.75Å; F249-W265 HydrophobicContact CE2-CE3 3.75Å; F249-W265 AromaticContact CE2-CZ3 3.58Å; F249-W265 HydrophobicContact CE2-CZ3 3.58Å; F249-W265 HydrophobicContact CZ-CE3 4.22Å; F249-W265 HydrophobicContact CZ-CZ3 4.26Å; F249-V295 HydrophobicContact CE2-CG1 4.34Å; F249-V295 HydrophobicContact CZ-CG1 4.41Å; F249-L311 HydrophobicContact CE1-CD1 4.24Å; F249-L311 HydrophobicContact CE2-CD1 4.42Å; F249-L311 HydrophobicContact CZ-CD1 4.17Å; F249-N323 CarbonylContact C-O 3.48Å; F249-N323 WeakPolarHBondContact CA-O 3.37Å; F249-N323 HydrophobicContact CD1-CB 3.56Å; F249-N323 HydrophobicContact CD2-CB 4.4Å; F249-N323 HydrophobicContact CE1-CB 3.69Å; F249-N323 HydrophobicContact CE2-CB 4.48Å; F249-N323 HydrophobicContact CG-CB 3.96Å; F249-N323 HydrophobicContact CZ-CB 4.16Å; F249-I325 HydrophobicContact CB-CD1 3.69Å; F249-I325 HydrophobicContact CB-CG1 3.95Å; F249-I325 HydrophobicContact CD1-CD1 4.04Å; F249-I325 HydrophobicContact CD1-CG1 3.56Å; F249-I325 HydrophobicContact CE1-CG1 4.36Å; F249-I325 HydrophobicContact CG-CD1 3.97Å; F249-I325 HydrophobicContact CG-CG1 4Å; F249-L367 HydrophobicContact CB-CB 4.25Å; F249-L367 HydrophobicContact CB-CD2 4.46Å; F249-L367 WeakPolarHBondContact O-CB 3.45Å; F249-L367 PolarHBondContact O-N 2.94Å; F249-I371 HydrophobicContact CD2-CD1 3.71Å; F249-I371 HydrophobicContact CE2-CD1 3.58Å; F249-I371 HydrophobicContact CE2-CG1 4.43Å |
| 250 | I | 91.9 | Very high | 73 | Confident | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 130.6 | 175.4 | -51.6 | -56.8 | 0 | 0 | 0 | 108.6 | D252 N323 L324 I325 L364 Y365 V366 | I250-D252 PolarHBondContact O-N 2.94Å; I250-N323 PolarHBondContact N-O 3.42Å; I250-L324 HydrophobicContact CB-CD2 4.03Å; I250-L324 CarbonylContact O-C 3.53Å; I250-L324 WeakPolarHBondContact O-CA 3.14Å; I250-I325 PolarHBondContact O-N 3.27Å; I250-L364 HydrophobicContact CD1-CB 4.32Å; I250-L364 HydrophobicContact CD1-CD1 4.38Å; I250-L364 HydrophobicContact CG2-CB 4.07Å; I250-L364 HydrophobicContact CG2-CD2 4.25Å; I250-Y365 WeakPolarHBondContact CA-O 3.13Å; I250-V366 HydrophobicContact CD1-CB 4.34Å; I250-V366 HydrophobicContact CD1-CG1 4.46Å; I250-V366 HydrophobicContact CD1-CG2 3.75Å |
| 251 | L | 93.3 | Very high | 75.9 | Confident | 13 Ų | 13 | 46.9 Ų | 46.9 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 120.7 | 170.9 | -171.6 | 69.1 | 0 | 0 | 0 | 108.9 | I325 V327 L330 V337 A344 I346 Y365 | L251-I325 HydrophobicContact CD1-CB 4.2Å; L251-I325 HydrophobicContact CD1-CG2 3.81Å; L251-V327 HydrophobicContact CD1-CG2 3.97Å; L251-V327 HydrophobicContact CG-CG2 4.06Å; L251-L330 HydrophobicContact CD1-CD1 3.82Å; L251-V337 HydrophobicContact CD2-CG1 3.67Å; L251-V337 HydrophobicContact CD2-CG2 4.38Å; L251-A344 HydrophobicContact CD2-CB 3.66Å; L251-I346 HydrophobicContact CD1-CD1 4.2Å; L251-Y365 PolarHBondContact N-O 3.35Å |
| 252 | D | 92 | Very high | 78.6 | Confident | 51 Ų | 51 | 48.4 Ų | 48.4 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 124.3 | -173.8 | -178.5 | 23.5 | 0 | 0 | 0 | 110.9 | I250 G254 A255 L324 I325 S326 V327 | I250-D252 PolarHBondContact O-N 2.94Å; D252-G254 PolarHBondContact OD1-N 3.17Å; D252-A255 HydrophobicContact CB-CB 4.25Å; D252-A255 PolarHBondContact OD2-N 2.85Å; D252-L324 HydrophobicContact CB-CD2 4.4Å; D252-I325 PolarHBondContact N-O 3.39Å; D252-S326 WeakPolarHBondContact O-CA 3.46Å; D252-V327 PolarHBondContact O-N 3.07Å; D252-V327 VanDerWaalsContact O-N 3.16Å |
| 253 | S | 88.7 | Confident | 81.3 | Confident | 102 Ų | 102 | 46 Ų | 46 | 71% | 0.713 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -81 | -17.7 | 174.5 | 55.1 | 0 | 0 | 0 | 0 | 112.9 | A255 | S253-A255 VanDerWaalsContact C-N 3.35Š|
| 254 | G | 87 | Confident | 83.4 | Confident | 62 Ų | 62 | 46.3 Ų | 46.3 | 64% | 0.639 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -76.3 | -21.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D252 | D252-G254 PolarHBondContact OD1-N 3.17Š|
| 255 | A | 89.2 | Confident | 85.7 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 8% | 0.083 | 24% | 0.243 | C | C | . | . | trans | -78.3 | 128.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D252 S253 L324 S326 | D252-A255 HydrophobicContact CB-CB 4.25Å; D252-A255 PolarHBondContact OD2-N 2.85Å; S253-A255 VanDerWaalsContact C-N 3.35Å; A255-L324 HydrophobicContact CB-CB 4.26Å; A255-L324 HydrophobicContact CB-CD1 4.19Å; A255-S326 WeakPolarHBondContact O-CA 3.48Å; A255-S326 WeakPolarHBondContact O-CB 3.45Å; A255-S326 PolarHBondContact O-OG 3.46Å | ||
| 256 | T | 87.3 | Confident | 87.5 | Confident | 106 Ų | 106 | 40.3 Ų | 40.3 | 65% | 0.65 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -81.5 | -25 | 176.1 | 51.2 | 0 | 0 | 0 | 0 | 113.5 | S326 S328 S329 | T256-S326 VanDerWaalsContact C-OG 3.23Å; T256-S326 PolarHBondContact O-OG 2.78Å; T256-S328 PolarHBondContact O-OG 2.81Å; T256-S329 PolarHBondContact O-OG 3.12Å; T256-S329 VanDerWaalsContact O-OG 3.09Å |
| 257 | R | 90.9 | Very high | 88.7 | Confident | 91 Ų | 91 | 39.2 Ų | 39.2 | 34% | 0.343 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -137.9 | 154.6 | -179.8 | -66.1 | -173.5 | 63.5 | -164.4 | -2 | 111.1 | N313 L315 S329 | R257-N313 PolarHBondContact NH2-O 3.41Å; R257-L315 HydrophobicContact CB-CD1 3.81Å; R257-L315 HydrophobicContact CB-CG 4.38Å; R257-L315 HydrophobicContact CG-CD1 4.42Å; R257-L315 VanDerWaalsContact CZ-CG 3.48Å; R257-S329 WeakPolarHBondContact CA-OG 3.26Å |
| 258 | H | 94.3 | Very high | 89.3 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 5% | 0.046 | 24% | 0.24 | C | C | . | . | trans | -65.3 | 134.7 | 170.6 | -55 | -58.1 | 0 | 0 | 0 | 110 | V314 L315 L324 S326 S329 | H258-V314 HydrophobicContact CB-CB 4.25Å; H258-V314 HydrophobicContact CB-CG1 4.14Å; H258-V314 HydrophobicContact CB-CG2 3.92Å; H258-L315 WeakPolarHBondContact O-CB 3.4Å; H258-L315 PolarHBondContact O-N 3.25Å; H258-L324 CarbonylContact C-O 3.48Å; H258-L324 WeakPolarHBondContact CA-O 3.47Å; H258-S326 PolarHBondContact CE1-O 3.01Å; H258-S326 PolarHBondContact ND1-N 3.37Å; H258-S329 WeakPolarHBondContact NE2-CB 3.3Å | ||
| 259 | I | 92.6 | Very high | 89.6 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 7% | 0.067 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 134.4 | -178.1 | -64.6 | 175 | 0 | 0 | 0 | 109.5 | I277 L315 V317 C320 N323 L324 | I259-I277 HydrophobicContact CD1-CD1 4.48Å; I259-L315 HydrophobicContact CG1-CB 4.34Å; I259-L315 HydrophobicContact CG1-CD1 4.47Å; I259-V317 HydrophobicContact CG1-CG2 4.41Å; I259-V317 HydrophobicContact CG2-CB 3.76Å; I259-V317 HydrophobicContact CG2-CG2 3.67Å; I259-C320 HydrophobicContact CG2-CB 3.93Å; I259-N323 CarbonylContact O-C 3.58Å; I259-N323 WeakPolarHBondContact O-CA 3.38Å; I259-L324 HydrophobicContact CB-CB 4.28Å; I259-L324 HydrophobicContact CD1-CD1 4.4Å; I259-L324 PolarHBondContact N-O 3.25Å; I259-L324 PolarHBondContact O-N 2.95Å |
| 260 | C | 92.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 132.9 | 172.2 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | F249 R262 F266 V314 L315 Y316 V317 N323 | F249-C260 HydrophobicContact CE1-CB 4.37Å; F249-C260 HydrophobicContact CZ-CB 4.14Å; C260-R262 PolarHBondContact SG-N 3.44Å; C260-R262 VanDerWaalsContact SG-N 3.43Å; C260-F266 HydrophobicContact CB-CE2 3.93Å; C260-F266 HydrophobicContact CB-CZ 3.83Å; C260-V314 HydrophobicContact CB-CG1 3.6Å; C260-L315 PolarHBondContact N-O 3.36Å; C260-Y316 VanDerWaalsContact O-CA 3.3Å; C260-Y316 WeakPolarHBondContact O-CA 3.45Å; C260-Y316 WeakPolarHBondContact O-CD2 3.49Å; C260-V317 PolarHBondContact O-N 3.11Å; C260-N323 WeakPolarHBondContact CA-OD1 3.5Å; C260-N323 PolarHBondContact SG-OD1 3.21Å |
| 261 | N | 90.1 | Very high | 89.2 | Confident | 31 Ų | 31 | 58.5 Ų | 58.5 | 17% | 0.166 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -93.3 | 0 | 177.8 | 66.4 | -1.7 | 0 | 0 | 0 | 113.3 | Y316 V317 C320 N323 | N261-Y316 WeakPolarHBondContact O-CE2 3.47Å; N261-V317 WeakPolarHBondContact CA-O 3.46Å; N261-V317 VanDerWaalsContact CB-O 3.32Å; N261-V317 WeakPolarHBondContact CB-O 3.29Å; N261-C320 VanDerWaalsContact CB-O 3.27Å; N261-C320 WeakPolarHBondContact CB-O 3.36Å; N261-C320 PolarHBondContact ND2-O 2.88Å; N261-N323 PolarHBondContact N-OD1 3.26Å; N261-N323 PolarHBondContact OD1-ND2 3.22Å; N261-N323 PolarHBondContact OD1-OD1 3.13Å |
| 262 | R | 88.1 | Confident | 88.8 | Confident | 65 Ų | 65 | 59.8 Ų | 59.8 | 25% | 0.245 | 32% | 0.318 | C | S | . | . | trans | -109.7 | 104.2 | -176.8 | -68.6 | -59.8 | -63.9 | -131.5 | -5.4 | 111.9 | C260 D264 W265 F266 | C260-R262 PolarHBondContact SG-N 3.44Å; C260-R262 VanDerWaalsContact SG-N 3.43Å; R262-D264 WeakPolarHBondContact CB-OD1 3.34Å; R262-D264 IonicContact CZ-OD1 2.68Å; R262-D264 IonicContact CZ-OD2 3.76Å; R262-D264 IonicContact NE-OD1 3.03Å; R262-D264 PolarHBondContact NE-OD1 2.93Å; R262-D264 IonicContact NE-OD2 3.22Å; R262-D264 IonicContact NH2-OD1 3.07Å; R262-D264 PolarHBondContact NH2-OD1 3.3Å; R262-D264 IonicContact NH2-OD2 2.68Å; R262-D264 PolarHBondContact NH2-OD2 2.87Å; R262-D264 PolarHBondContact O-N 2.75Å; R262-W265 HydrophobicContact CB-CB 4.21Å; R262-W265 HydrophobicContact CB-CD2 3.66Å; R262-W265 HydrophobicContact CB-CE3 4.17Å; R262-W265 HydrophobicContact CB-CG 3.64Å; R262-W265 HydrophobicContact CG-CD2 4.04Å; R262-W265 HydrophobicContact CG-CE3 4.46Å; R262-W265 HydrophobicContact CG-CG 4.45Å; R262-W265 HydrophobicContact CG-CZ2 4.15Å; R262-W265 PolarHBondContact O-N 3.45Å; R262-F266 VanDerWaalsContact O-CD2 3.26Å; R262-F266 WeakPolarHBondContact O-CD2 3.34Å; R262-F266 WeakPolarHBondContact O-CE2 3.38Å | ||
| 263 | K | 87 | Confident | 88.3 | Confident | 112 Ų | 112 | 61.3 Ų | 61.3 | 49% | 0.487 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -63 | -31.3 | 178.9 | -160.4 | 172.2 | -178.1 | 173.8 | 0 | 112.7 | W265 F266 F269 Y316 | K263-W265 PolarHBondContact O-N 2.88Å; K263-F266 PolarHBondContact O-N 3.47Å; K263-F269 VanDerWaalsContact CE-CE1 3.45Å; K263-Y316 HydrophobicContact CB-CD2 4.19Å; K263-Y316 HydrophobicContact CB-CE1 4.3Å; K263-Y316 HydrophobicContact CB-CE2 3.61Å; K263-Y316 HydrophobicContact CD-CE1 4.08Å; K263-Y316 HydrophobicContact CG-CE1 4.31Å; K263-Y316 HydrophobicContact CG-CE2 4.34Å; K263-Y316 VanDerWaalsContact N-CE2 3.3Å |
| 264 | D | 83.4 | Confident | 87.9 | Confident | 42 Ų | 42 | 61.4 Ų | 61.4 | 23% | 0.225 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -68.9 | -14.7 | -179.5 | 56.3 | -52.7 | 0 | 0 | 0 | 114.3 | R262 G373 K374 | R262-D264 WeakPolarHBondContact CB-OD1 3.34Å; R262-D264 IonicContact CZ-OD1 2.68Å; R262-D264 IonicContact CZ-OD2 3.76Å; R262-D264 IonicContact NE-OD1 3.03Å; R262-D264 PolarHBondContact NE-OD1 2.93Å; R262-D264 IonicContact NE-OD2 3.22Å; R262-D264 IonicContact NH2-OD1 3.07Å; R262-D264 PolarHBondContact NH2-OD1 3.3Å; R262-D264 IonicContact NH2-OD2 2.68Å; R262-D264 PolarHBondContact NH2-OD2 2.87Å; R262-D264 PolarHBondContact O-N 2.75Å; D264-G373 WeakPolarHBondContact O-CA 3.23Å; D264-K374 PolarHBondContact O-N 3.1Å |
| 265 | W | 89.2 | Confident | 87.7 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -83.8 | -14.5 | 178.8 | -70.6 | 10.2 | 0 | 0 | 0 | 113.5 | D247 F249 R262 K263 V295 I371 | D247-W265 WeakPolarHBondContact O-CH2 3.34Å; F249-W265 HydrophobicContact CD2-CZ3 4.06Å; F249-W265 AromaticContact CE2-CE3 3.75Å; F249-W265 HydrophobicContact CE2-CE3 3.75Å; F249-W265 AromaticContact CE2-CZ3 3.58Å; F249-W265 HydrophobicContact CE2-CZ3 3.58Å; F249-W265 HydrophobicContact CZ-CE3 4.22Å; F249-W265 HydrophobicContact CZ-CZ3 4.26Å; R262-W265 HydrophobicContact CB-CB 4.21Å; R262-W265 HydrophobicContact CB-CD2 3.66Å; R262-W265 HydrophobicContact CB-CE3 4.17Å; R262-W265 HydrophobicContact CB-CG 3.64Å; R262-W265 HydrophobicContact CG-CD2 4.04Å; R262-W265 HydrophobicContact CG-CE3 4.46Å; R262-W265 HydrophobicContact CG-CG 4.45Å; R262-W265 HydrophobicContact CG-CZ2 4.15Å; R262-W265 PolarHBondContact O-N 3.45Å; K263-W265 PolarHBondContact O-N 2.88Å; W265-V295 HydrophobicContact CB-CG1 4.15Å; W265-I371 HydrophobicContact CB-CG2 3.88Å; W265-I371 HydrophobicContact CD2-CB 4.16Å; W265-I371 HydrophobicContact CD2-CG1 4.06Å; W265-I371 HydrophobicContact CD2-CG2 3.61Å; W265-I371 HydrophobicContact CE3-CB 4.35Å; W265-I371 HydrophobicContact CE3-CD1 4.3Å; W265-I371 HydrophobicContact CE3-CG1 3.8Å; W265-I371 HydrophobicContact CE3-CG2 3.91Å; W265-I371 HydrophobicContact CG-CG2 3.62Å; W265-I371 HydrophobicContact CH2-CG1 3.83Å; W265-I371 HydrophobicContact CZ2-CG1 4.08Å; W265-I371 HydrophobicContact CZ3-CD1 4.2Å; W265-I371 HydrophobicContact CZ3-CG1 3.69Å |
| 266 | F | 89.2 | Confident | 87.3 | Confident | 9 Ų | 9 | 63.3 Ų | 63.3 | 4% | 0.039 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 123.2 | -177.6 | -69.3 | -94.7 | 0 | 0 | 0 | 111.8 | C260 R262 K263 F269 T294 V295 V314 Y316 | C260-F266 HydrophobicContact CB-CE2 3.93Å; C260-F266 HydrophobicContact CB-CZ 3.83Å; R262-F266 VanDerWaalsContact O-CD2 3.26Å; R262-F266 WeakPolarHBondContact O-CD2 3.34Å; R262-F266 WeakPolarHBondContact O-CE2 3.38Å; K263-F266 PolarHBondContact O-N 3.47Å; F266-F269 HydrophobicContact CB-CB 4.03Å; F266-F269 HydrophobicContact CB-CD2 4.33Å; F266-F269 HydrophobicContact CD1-CD2 4.16Å; F266-F269 HydrophobicContact CD2-CD2 4.36Å; F266-F269 HydrophobicContact CG-CD2 4.03Å; F266-T294 CarbonylContact C-O 3.51Å; F266-T294 VanDerWaalsContact CA-O 3.26Å; F266-T294 WeakPolarHBondContact CA-O 3.39Å; F266-V295 HydrophobicContact CD1-CG2 3.85Å; F266-V295 HydrophobicContact CD2-CG2 4.42Å; F266-V295 HydrophobicContact CE1-CG2 3.95Å; F266-V295 HydrophobicContact CE2-CG2 4.47Å; F266-V295 HydrophobicContact CG-CG2 4.14Å; F266-V295 HydrophobicContact CZ-CG2 4.26Å; F266-V314 HydrophobicContact CE1-CB 3.8Å; F266-V314 HydrophobicContact CE1-CG1 3.99Å; F266-V314 WeakPolarHBondContact CE1-O 3.5Å; F266-V314 HydrophobicContact CZ-CB 4.26Å; F266-V314 HydrophobicContact CZ-CG1 3.92Å; F266-Y316 AromaticContact CE2-CD2 3.94Å; F266-Y316 HydrophobicContact CE2-CD2 3.94Å; F266-Y316 HydrophobicContact CE2-CG 4.31Å |
| 267 | S | 85.3 | Confident | 87.1 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 15% | 0.147 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -37.1 | 172.1 | 62.6 | 0 | 0 | 0 | 0 | 111.9 | T294 E296 K374 | S267-T294 PolarHBondContact N-O 2.97Å; S267-T294 PolarHBondContact OG-O 3.24Å; S267-E296 PolarHBondContact OG-OE1 3.22Å; S267-K374 WeakPolarHBondContact O-CE 3.34Å; S267-K374 PolarHBondContact O-NZ 3.19Å |
| 268 | K | 85.8 | Confident | 86.4 | Confident | 153 Ų | 153 | 64.8 Ų | 64.8 | 67% | 0.665 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 128.1 | 172.2 | -62.3 | 177.9 | -178.4 | 177.1 | 0 | 107.7 | G293 T294 | K268-G293 CarbonylContact O-C 3.49Å; K268-G293 WeakPolarHBondContact O-CA 3.49Å; K268-T294 PolarHBondContact O-N 3.48Å |
| 269 | F | 90.8 | Very high | 85.3 | Confident | 68 Ų | 68 | 67.4 Ų | 67.4 | 30% | 0.298 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 129.5 | -177.4 | -179.7 | -99.1 | 0 | 0 | 0 | 110.1 | K263 F266 A271 Y316 | K263-F269 VanDerWaalsContact CE-CE1 3.45Å; F266-F269 HydrophobicContact CB-CB 4.03Å; F266-F269 HydrophobicContact CB-CD2 4.33Å; F266-F269 HydrophobicContact CD1-CD2 4.16Å; F266-F269 HydrophobicContact CD2-CD2 4.36Å; F266-F269 HydrophobicContact CG-CD2 4.03Å; F269-A271 HydrophobicContact CE1-CB 4.15Å; F269-Y316 HydrophobicContact CE2-CD1 4.01Å; F269-Y316 AromaticContact CE2-CG 3.97Å; F269-Y316 HydrophobicContact CE2-CG 3.97Å; F269-Y316 AromaticContact CZ-CD1 3.95Å; F269-Y316 HydrophobicContact CZ-CD1 3.95Å; F269-Y316 HydrophobicContact CZ-CG 4.38Å |
| 270 | R | 88.9 | Confident | 84.1 | Confident | 177 Ų | 177 | 72.2 Ų | 72.2 | 67% | 0.668 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 116.1 | 172.8 | -175.4 | -179.1 | 72.8 | 176.6 | 3.4 | 108 | G291 V292 | R270-G291 CarbonylContact O-C 3.57Å; R270-G291 VanDerWaalsContact O-CA 3.25Å; R270-G291 WeakPolarHBondContact O-CA 3.33Å; R270-V292 PolarHBondContact N-O 3.47Å; R270-V292 PolarHBondContact O-N 3.21Å |
| 271 | A | 88.3 | Confident | 82.4 | Confident | 74 Ų | 74 | 76.1 Ų | 76.1 | 61% | 0.612 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 137.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | F269 | F269-A271 HydrophobicContact CE1-CB 4.15Å |
| 272 | T | 84.1 | Confident | 81 | Confident | 39 Ų | 39 | 82.9 Ų | 82.9 | 24% | 0.239 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 159.8 | 177.1 | 53.5 | 0 | 0 | 0 | 0 | 109.1 | E290 G291 V292 | T272-E290 PolarHBondContact N-O 2.92Å; T272-G291 WeakPolarHBondContact OG1-CA 3.3Å; T272-G291 PolarHBondContact OG1-N 3.44Å; T272-V292 HydrophobicContact CG2-CG2 4.03Å |
| 273 | A | 81.1 | Confident | 79.3 | Confident | 83 Ų | 83 | 82.6 Ų | 82.6 | 69% | 0.686 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.5 | 138.7 | 169 | 0 | 0 | 0 | 0 | 0 | 109.5 | S275 | A273-S275 PolarHBondContact O-N 3.29Å; A273-S275 VanDerWaalsContact O-N 3.09Å |
| 274 | P | 81.5 | Confident | 77.9 | Confident | 104 Ų | 104 | 87.4 Ų | 87.4 | 68% | 0.675 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -45.5 | 116.6 | 175.4 | -33.2 | 38.7 | 0 | 0 | 0 | 111.3 | V288 A289 | P274-V288 HydrophobicContact CB-CG1 3.59Å; P274-V288 HydrophobicContact CG-CG1 4.5Å; P274-A289 WeakPolarHBondContact CA-O 3.39Å |
| 275 | S | 81.5 | Confident | 76.9 | Confident | 45 Ų | 45 | 93 Ų | 93 | 32% | 0.315 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129 | 177.8 | 52.4 | 0 | 0 | 0 | 0 | 110.1 | A273 A289 | A273-S275 PolarHBondContact O-N 3.29Å; A273-S275 VanDerWaalsContact O-N 3.09Å; S275-A289 PolarHBondContact N-O 2.75Å; S275-A289 PolarHBondContact O-N 3.11Å; S275-A289 VanDerWaalsContact OG-CB 3.25Å; S275-A289 WeakPolarHBondContact OG-CB 3.43Å |
| 276 | S | 82.1 | Confident | 76.1 | Confident | 67 Ų | 67 | 93.8 Ų | 93.8 | 47% | 0.469 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 126.9 | 180 | -175.9 | 0 | 0 | 0 | 0 | 110.6 | A286 | S276-A286 WeakPolarHBondContact OG-CB 3.46Å |
| 277 | I | 82.4 | Confident | 75.8 | Confident | 30 Ų | 30 | 95.3 Ų | 95.3 | 15% | 0.154 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 117.6 | 173.9 | -56.9 | 173.4 | 0 | 0 | 0 | 107.4 | I259 L287 A289 L315 V317 | I259-I277 HydrophobicContact CD1-CD1 4.48Å; I277-L287 WeakPolarHBondContact CA-O 3.28Å; I277-L287 HydrophobicContact CB-CB 4.12Å; I277-L287 WeakPolarHBondContact CB-O 3.48Å; I277-L287 PolarHBondContact N-O 3.45Å; I277-L287 PolarHBondContact O-N 3.36Å; I277-A289 HydrophobicContact CD1-CB 3.69Å; I277-A289 HydrophobicContact CG1-CB 4.18Å; I277-L315 HydrophobicContact CD1-CD1 3.87Å; I277-L315 HydrophobicContact CG1-CD1 4.5Å; I277-V317 HydrophobicContact CD1-CB 4.38Å; I277-V317 HydrophobicContact CD1-CG1 4.19Å; I277-V317 HydrophobicContact CD1-CG2 3.27Å |
| 278 | Y | 77 | Confident | 75.8 | Confident | 199 Ų | 199 | 97 Ų | 97 | 78% | 0.78 | 54% | 0.536 | S | S | * | . | trans | -73.8 | 126.9 | 174.2 | -60.2 | -81.7 | 0 | 0 | 0 | 109.9 | ||||
| 279 | S | 70.5 | Confident | 76 | Confident | 65 Ų | 65 | 89.7 Ų | 89.7 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | trans | -97.3 | 170 | 171.6 | 168 | 0 | 0 | 0 | 0 | 108.9 | D281 | S279-D281 WeakPolarHBondContact CB-OD1 3.29Å; S279-D281 PolarHBondContact O-N 3.07Å; S279-D281 PolarHBondContact OG-OD1 2.95Å | ||
| 280 | A | 66.3 | Low | 76.1 | Confident | 113 Ų | 113 | 90.6 Ų | 90.6 | 93% | 0.934 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -73.7 | -7.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 281 | D | 59.1 | Low | 76.2 | Confident | 83 Ų | 83 | 82.2 Ų | 82.2 | 44% | 0.444 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -84 | 132 | 171.6 | 57.4 | -35.5 | 0 | 0 | 0 | 110.2 | S279 S283 | S279-D281 WeakPolarHBondContact CB-OD1 3.29Å; S279-D281 PolarHBondContact O-N 3.07Å; S279-D281 PolarHBondContact OG-OD1 2.95Å; D281-S283 PolarHBondContact O-N 2.85Å; D281-S283 VanDerWaalsContact OD2-CB 3.29Å; D281-S283 WeakPolarHBondContact OD2-CB 3.49Å; D281-S283 PolarHBondContact OD2-OG 2.98Å |
| 282 | D | 58.6 | Low | 76.4 | Confident | 173 Ų | 173 | 79.5 Ų | 79.5 | 93% | 0.925 | 45% | 0.453 | S | S | * | . | trans | -66.1 | 14.9 | 171.5 | -151.4 | 24.6 | 0 | 0 | 0 | 112.5 | ||||
| 283 | S | 53.9 | Low | 76.8 | Confident | 58 Ų | 58 | 78 Ų | 78 | 41% | 0.406 | 45% | 0.446 | S | S | . | . | trans | -74.2 | 131.4 | 177.8 | 91 | 0 | 0 | 0 | 0 | 108.9 | D281 E285 | D281-S283 PolarHBondContact O-N 2.85Å; D281-S283 VanDerWaalsContact OD2-CB 3.29Å; D281-S283 WeakPolarHBondContact OD2-CB 3.49Å; D281-S283 PolarHBondContact OD2-OG 2.98Å; S283-E285 PolarHBondContact O-N 3.38Å | ||
| 284 | K | 56.4 | Low | 77.3 | Confident | 213 Ų | 213 | 75.1 Ų | 75.1 | 93% | 0.926 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -65.4 | -2.5 | -177.6 | -67.8 | -179.4 | 177.8 | 178.4 | 0 | 113.9 | A286 | K284-A286 PolarHBondContact O-N 3.12Š|
| 285 | E | 64.2 | Low | 77.8 | Confident | 161 Ų | 161 | 70.1 Ų | 70.1 | 75% | 0.752 | 39% | 0.387 | S | S | * | . | trans | -90.7 | 81.5 | 179 | -68.3 | -163.9 | -177.1 | 0 | 0 | 111.2 | S283 L287 | S283-E285 PolarHBondContact O-N 3.38Å; E285-L287 PolarHBondContact O-N 2.92Å | ||
| 286 | A | 70.4 | Confident | 78.2 | Confident | 35 Ų | 35 | 70.6 Ų | 70.6 | 29% | 0.289 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 140 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | S276 K284 | S276-A286 WeakPolarHBondContact OG-CB 3.46Å; K284-A286 PolarHBondContact O-N 3.12Å |
| 287 | L | 83.3 | Confident | 78.5 | Confident | 40 Ų | 40 | 67.4 Ų | 67.4 | 21% | 0.209 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 137.4 | 173 | -72.1 | 173.1 | 0 | 0 | 0 | 109.3 | I277 E285 V317 K319 C320 | I277-L287 WeakPolarHBondContact CA-O 3.28Å; I277-L287 HydrophobicContact CB-CB 4.12Å; I277-L287 WeakPolarHBondContact CB-O 3.48Å; I277-L287 PolarHBondContact N-O 3.45Å; I277-L287 PolarHBondContact O-N 3.36Å; E285-L287 PolarHBondContact O-N 2.92Å; L287-V317 HydrophobicContact CB-CG1 3.95Å; L287-V317 HydrophobicContact CD1-CG1 4.49Å; L287-K319 HydrophobicContact CD2-CB 3.77Å; L287-C320 HydrophobicContact CD1-CB 4.47Å |
| 288 | V | 86.7 | Confident | 78.7 | Confident | 57 Ų | 57 | 66.8 Ų | 66.8 | 35% | 0.345 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122 | -178.3 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | P274 E290 | P274-V288 HydrophobicContact CB-CG1 3.59Å; P274-V288 HydrophobicContact CG-CG1 4.5Å; V288-E290 HydrophobicContact CG1-CG 4.37Å |
| 289 | A | 90.2 | Very high | 79.3 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 123.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | P274 S275 I277 L315 Y316 V317 | P274-A289 WeakPolarHBondContact CA-O 3.39Å; S275-A289 PolarHBondContact N-O 2.75Å; S275-A289 PolarHBondContact O-N 3.11Å; S275-A289 VanDerWaalsContact OG-CB 3.25Å; S275-A289 WeakPolarHBondContact OG-CB 3.43Å; I277-A289 HydrophobicContact CD1-CB 3.69Å; I277-A289 HydrophobicContact CG1-CB 4.18Å; A289-L315 HydrophobicContact CB-CB 4.49Å; A289-L315 HydrophobicContact CB-CD1 4.49Å; A289-L315 HydrophobicContact CB-CD2 3.76Å; A289-L315 HydrophobicContact CB-CG 4.49Å; A289-Y316 WeakPolarHBondContact CA-O 3.36Å; A289-V317 HydrophobicContact CB-CG2 4.09Å |
| 290 | E | 91.6 | Very high | 79.9 | Confident | 87 Ų | 87 | 56.3 Ų | 56.3 | 41% | 0.407 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -4.9 | -176.8 | -64.9 | 176.2 | -164.7 | 0 | 0 | 113.1 | T272 V288 Y316 P318 | T272-E290 PolarHBondContact N-O 2.92Å; V288-E290 HydrophobicContact CG1-CG 4.37Å; E290-Y316 HydrophobicContact CB-CD1 3.95Å; E290-Y316 HydrophobicContact CB-CE1 4.28Å; E290-Y316 PolarHBondContact N-O 3.37Å; E290-Y316 WeakPolarHBondContact OE2-CE1 3.48Å; E290-P318 HydrophobicContact CG-CG 4.37Å; E290-P318 WeakPolarHBondContact OE1-CG 3.38Å |
| 291 | G | 91.7 | Very high | 80.6 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.8 | 173.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | R270 T272 Y316 | R270-G291 CarbonylContact O-C 3.57Å; R270-G291 VanDerWaalsContact O-CA 3.25Å; R270-G291 WeakPolarHBondContact O-CA 3.33Å; T272-G291 WeakPolarHBondContact OG1-CA 3.3Å; T272-G291 PolarHBondContact OG1-N 3.44Å; G291-Y316 PolarHBondContact O-N 3.17Å |
| 292 | V | 92.3 | Very high | 81.3 | Confident | 18 Ų | 18 | 47.7 Ų | 47.7 | 11% | 0.109 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 143 | 178.7 | -172.7 | 0 | 0 | 0 | 0 | 109.5 | R270 T272 V314 L315 | R270-V292 PolarHBondContact N-O 3.47Å; R270-V292 PolarHBondContact O-N 3.21Å; T272-V292 HydrophobicContact CG2-CG2 4.03Å; V292-V314 CarbonylContact C-O 3.53Å; V292-V314 VanDerWaalsContact CA-O 3.29Å; V292-V314 WeakPolarHBondContact CA-O 3.4Å; V292-L315 HydrophobicContact CG2-CD2 3.87Å |
| 293 | G | 92.3 | Very high | 81.7 | Confident | 8 Ų | 8 | 43.5 Ų | 43.5 | 8% | 0.082 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | -166.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | K268 N313 V314 | K268-G293 CarbonylContact O-C 3.49Å; K268-G293 WeakPolarHBondContact O-CA 3.49Å; G293-N313 PolarHBondContact O-N 2.93Å; G293-V314 PolarHBondContact N-O 3.32Å; G293-V314 PolarHBondContact O-N 2.82Å |
| 294 | T | 92.3 | Very high | 82.2 | Confident | 21 Ų | 21 | 48 Ų | 48 | 13% | 0.129 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132.5 | 179.2 | -54.6 | 0 | 0 | 0 | 0 | 109.9 | F266 S267 K268 H310 L311 Q312 | F266-T294 CarbonylContact C-O 3.51Å; F266-T294 VanDerWaalsContact CA-O 3.26Å; F266-T294 WeakPolarHBondContact CA-O 3.39Å; S267-T294 PolarHBondContact N-O 2.97Å; S267-T294 PolarHBondContact OG-O 3.24Å; K268-T294 PolarHBondContact O-N 3.48Å; T294-H310 HydrophobicContact CG2-CB 3.75Å; T294-L311 CarbonylContact C-O 3.58Å; T294-L311 VanDerWaalsContact CA-O 3.23Å; T294-L311 WeakPolarHBondContact CA-O 3.44Å; T294-Q312 HydrophobicContact CG2-CG 4.44Å |
| 295 | V | 91.5 | Very high | 83.1 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.3 | 176.7 | 177.5 | 0 | 0 | 0 | 0 | 109.3 | F249 W265 F266 V297 H310 L311 V314 I371 | F249-V295 HydrophobicContact CE2-CG1 4.34Å; F249-V295 HydrophobicContact CZ-CG1 4.41Å; W265-V295 HydrophobicContact CB-CG1 4.15Å; F266-V295 HydrophobicContact CD1-CG2 3.85Å; F266-V295 HydrophobicContact CD2-CG2 4.42Å; F266-V295 HydrophobicContact CE1-CG2 3.95Å; F266-V295 HydrophobicContact CE2-CG2 4.47Å; F266-V295 HydrophobicContact CG-CG2 4.14Å; F266-V295 HydrophobicContact CZ-CG2 4.26Å; V295-V297 HydrophobicContact CG1-CG1 3.92Å; V295-H310 CarbonylContact O-C 3.55Å; V295-H310 VanDerWaalsContact O-CA 3.31Å; V295-H310 WeakPolarHBondContact O-CA 3.31Å; V295-L311 HydrophobicContact CB-CB 4.46Å; V295-L311 PolarHBondContact N-O 3.35Å; V295-L311 PolarHBondContact O-N 3.27Å; V295-V314 HydrophobicContact CG2-CB 4.29Å; V295-V314 HydrophobicContact CG2-CG1 4.23Å; V295-V314 HydrophobicContact CG2-CG2 4.2Å; V295-I371 HydrophobicContact CG1-CG2 3.93Å |
| 296 | E | 89.5 | Confident | 83.9 | Confident | 54 Ų | 54 | 36.2 Ų | 36.2 | 25% | 0.252 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 126.6 | 177.5 | -64.4 | -71 | 152.2 | 0 | 0 | 110.2 | S267 R372 | S267-E296 PolarHBondContact OG-OE1 3.22Å; E296-R372 HydrophobicContact CB-CB 3.75Å; E296-R372 PolarHBondContact O-N 2.76Å |
| 297 | V | 89 | Confident | 84.5 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 140 | -174.2 | -61 | 0 | 0 | 0 | 0 | 111.6 | V295 L299 T309 L311 I371 | V295-V297 HydrophobicContact CG1-CG1 3.92Å; V297-L299 HydrophobicContact CB-CD2 4.14Å; V297-L299 HydrophobicContact CG2-CD1 4.38Å; V297-L299 HydrophobicContact CG2-CD2 3.76Å; V297-L299 HydrophobicContact CG2-CG 3.99Å; V297-T309 HydrophobicContact CG2-CG2 3.75Å; V297-T309 PolarHBondContact N-O 3.25Å; V297-T309 CarbonylContact O-C 3.41Å; V297-T309 PolarHBondContact O-N 2.95Å; V297-L311 HydrophobicContact CG1-CD1 4.13Å; V297-L311 HydrophobicContact CG1-CG 4.41Å; V297-L311 HydrophobicContact CG2-CG 4.24Å; V297-I371 HydrophobicContact CB-CD1 4.49Å; V297-I371 HydrophobicContact CG1-CD1 3.61Å |
| 298 | T | 86.9 | Confident | 84.5 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 10% | 0.098 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 109.8 | 168.7 | -59.5 | 0 | 0 | 0 | 0 | 108 | M306 L307 N308 A369 K370 | T298-M306 HydrophobicContact CG2-CB 3.68Å; T298-M306 HydrophobicContact CG2-CE 4.42Å; T298-M306 HydrophobicContact CG2-CG 4.37Å; T298-M306 HydrophobicContact CG2-SD 3.83Å; T298-L307 CarbonylContact C-O 3.59Å; T298-L307 WeakPolarHBondContact CA-O 3.36Å; T298-N308 WeakPolarHBondContact CG2-OD1 3.32Å; T298-N308 PolarHBondContact OG1-OD1 3.45Å; T298-A369 CarbonylContact O-C 3.53Å; T298-A369 VanDerWaalsContact O-CA 3.27Å; T298-A369 WeakPolarHBondContact O-CA 3.37Å; T298-K370 PolarHBondContact N-O 2.89Å; T298-K370 PolarHBondContact O-N 2.86Å |
| 299 | L | 88.9 | Confident | 84.6 | Confident | 14 Ų | 14 | 40 Ų | 40 | 7% | 0.073 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 142.8 | -174.6 | -57.5 | -179.5 | 0 | 0 | 0 | 110.9 | V297 M306 L307 T309 I355 A356 L367 A369 | V297-L299 HydrophobicContact CB-CD2 4.14Å; V297-L299 HydrophobicContact CG2-CD1 4.38Å; V297-L299 HydrophobicContact CG2-CD2 3.76Å; V297-L299 HydrophobicContact CG2-CG 3.99Å; L299-M306 CarbonylContact O-C 3.56Å; L299-M306 WeakPolarHBondContact O-CA 3.37Å; L299-L307 PolarHBondContact N-O 3.34Å; L299-L307 PolarHBondContact O-N 3Å; L299-T309 HydrophobicContact CD1-CG2 3.32Å; L299-T309 HydrophobicContact CG-CG2 3.77Å; L299-I355 HydrophobicContact CD1-CG2 3.88Å; L299-A356 HydrophobicContact CB-CB 4.06Å; L299-A356 HydrophobicContact CD1-CB 4.01Å; L299-A356 HydrophobicContact CD2-CB 4.43Å; L299-A356 HydrophobicContact CG-CB 4.39Å; L299-L367 HydrophobicContact CD2-CD2 3.77Å; L299-L367 HydrophobicContact CD2-CG 4.46Å; L299-A369 HydrophobicContact CD2-CB 3.68Å |
| 300 | Y | 83.3 | Confident | 84.5 | Confident | 31 Ų | 31 | 43.8 Ų | 43.8 | 12% | 0.122 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 118.7 | 170.3 | 179 | -98 | 0 | 0 | 0 | 110.5 | G302 M306 A356 E357 R368 | Y300-G302 VanDerWaalsContact CE1-CA 3.42Å; Y300-M306 HydrophobicContact CD2-CE 4.13Å; Y300-M306 HydrophobicContact CG-CE 4.39Å; Y300-A356 WeakPolarHBondContact O-CA 3.4Å; Y300-E357 HydrophobicContact CD1-CB 4.39Å; Y300-E357 HydrophobicContact CD1-CG 4.49Å; Y300-E357 WeakPolarHBondContact CE1-OE2 3.25Å; Y300-E357 PolarHBondContact O-N 3.36Å; Y300-E357 VanDerWaalsContact O-N 3.12Å; Y300-R368 WeakPolarHBondContact CB-O 3.46Å; Y300-R368 HydrophobicContact CD1-CB 4.38Å; Y300-R368 VanDerWaalsContact CD1-CZ 3.43Å; Y300-R368 HydrophobicContact CG-CB 4.35Å; Y300-R368 PolarHBondContact N-O 2.72Å |
| 301 | C | 80.8 | Confident | 84.4 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.027 | 23% | 0.231 | C | C | . | . | trans | -106.1 | 34.9 | -173.3 | -49.3 | 0 | 0 | 0 | 0 | 112.5 | A303 H304 G305 L307 I355 | C301-A303 PolarHBondContact O-N 3.46Å; C301-H304 HydrophobicContact CB-CB 4.01Å; C301-H304 PolarHBondContact O-N 2.89Å; C301-H304 VanDerWaalsContact O-N 3.14Å; C301-G305 PolarHBondContact N-O 2.79Å; C301-L307 WeakPolarHBondContact SG-CB 3.43Å; C301-I355 PolarHBondContact SG-O 3.34Å | ||
| 302 | G | 74.7 | Confident | 84.4 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 11% | 0.113 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | 59.1 | -122.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y300 H304 G305 | Y300-G302 VanDerWaalsContact CE1-CA 3.42Å; G302-H304 PolarHBondContact O-N 3.11Å; G302-G305 PolarHBondContact O-N 2.95Å |
| 303 | A | 65.7 | Low | 84.3 | Confident | 84 Ų | 84 | 49.8 Ų | 49.8 | 69% | 0.694 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -66.2 | -19 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | C301 G305 | C301-A303 PolarHBondContact O-N 3.46Å; A303-G305 VanDerWaalsContact C-N 3.3Å; A303-G305 PolarHBondContact O-N 2.96Å |
| 304 | H | 65 | Low | 84.4 | Confident | 153 Ų | 153 | 49.4 Ų | 49.4 | 71% | 0.708 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -85.4 | 0.6 | -178.8 | -62.7 | -71.5 | 0 | 0 | 0 | 113.7 | C301 G302 | C301-H304 HydrophobicContact CB-CB 4.01Å; C301-H304 PolarHBondContact O-N 2.89Å; C301-H304 VanDerWaalsContact O-N 3.14Å; G302-H304 PolarHBondContact O-N 3.11Å |
| 305 | G | 76 | Confident | 84.5 | Confident | 33 Ų | 33 | 48.8 Ų | 48.8 | 34% | 0.34 | 27% | 0.268 | S | S | . | . | trans | 86.2 | -134 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | C301 G302 A303 | C301-G305 PolarHBondContact N-O 2.79Å; G302-G305 PolarHBondContact O-N 2.95Å; A303-G305 VanDerWaalsContact C-N 3.3Å; A303-G305 PolarHBondContact O-N 2.96Å | ||
| 306 | M | 81 | Confident | 84.6 | Confident | 93 Ų | 93 | 50.1 Ų | 50.1 | 46% | 0.458 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 133.2 | -179.2 | -58.1 | -138.3 | 98.5 | 0 | 0 | 111.4 | T298 L299 Y300 | T298-M306 HydrophobicContact CG2-CB 3.68Å; T298-M306 HydrophobicContact CG2-CE 4.42Å; T298-M306 HydrophobicContact CG2-CG 4.37Å; T298-M306 HydrophobicContact CG2-SD 3.83Å; L299-M306 CarbonylContact O-C 3.56Å; L299-M306 WeakPolarHBondContact O-CA 3.37Å; Y300-M306 HydrophobicContact CD2-CE 4.13Å; Y300-M306 HydrophobicContact CG-CE 4.39Å |
| 307 | L | 81.8 | Confident | 84.7 | Confident | 70 Ų | 70 | 47.5 Ų | 47.5 | 37% | 0.366 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 124.3 | 177.7 | 179.3 | 67.6 | 0 | 0 | 0 | 110.2 | T298 L299 C301 I355 | T298-L307 CarbonylContact C-O 3.59Å; T298-L307 WeakPolarHBondContact CA-O 3.36Å; L299-L307 PolarHBondContact N-O 3.34Å; L299-L307 PolarHBondContact O-N 3Å; C301-L307 WeakPolarHBondContact SG-CB 3.43Å; L307-I355 HydrophobicContact CD2-CD1 4.13Å; L307-I355 HydrophobicContact CD2-CG2 4.12Å |
| 308 | N | 83.9 | Confident | 84.6 | Confident | 99 Ų | 99 | 49.5 Ų | 49.5 | 53% | 0.529 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 123.4 | 170 | -67.6 | -30.2 | 0 | 0 | 0 | 109.2 | T298 | T298-N308 WeakPolarHBondContact CG2-OD1 3.32Å; T298-N308 PolarHBondContact OG1-OD1 3.45Å |
| 309 | T | 87.5 | Confident | 84.6 | Confident | 43 Ų | 43 | 56.5 Ų | 56.5 | 26% | 0.264 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | -171.8 | 177.2 | -169.2 | 0 | 0 | 0 | 0 | 110.2 | V297 L299 | V297-T309 HydrophobicContact CG2-CG2 3.75Å; V297-T309 PolarHBondContact N-O 3.25Å; V297-T309 CarbonylContact O-C 3.41Å; V297-T309 PolarHBondContact O-N 2.95Å; L299-T309 HydrophobicContact CD1-CG2 3.32Å; L299-T309 HydrophobicContact CG-CG2 3.77Å |
| 310 | H | 89.1 | Confident | 84.4 | Confident | 80 Ų | 80 | 56.6 Ų | 56.6 | 37% | 0.37 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 139.3 | -176.5 | 57.8 | -74.6 | 0 | 0 | 0 | 111 | T294 V295 Q312 | T294-H310 HydrophobicContact CG2-CB 3.75Å; V295-H310 CarbonylContact O-C 3.55Å; V295-H310 VanDerWaalsContact O-CA 3.31Å; V295-H310 WeakPolarHBondContact O-CA 3.31Å; H310-Q312 VanDerWaalsContact CD2-CG 3.42Å; H310-Q312 WeakPolarHBondContact CD2-CG 3.25Å; H310-Q312 PolarHBondContact CD2-NE2 3.22Å; H310-Q312 PolarHBondContact NE2-NE2 3.15Å |
| 311 | L | 90.5 | Very high | 84.3 | Confident | 21 Ų | 21 | 65.6 Ų | 65.6 | 11% | 0.11 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 116.9 | 169.8 | -68.4 | 170.6 | 0 | 0 | 0 | 108.3 | F249 T294 V295 V297 V314 I325 | F249-L311 HydrophobicContact CE1-CD1 4.24Å; F249-L311 HydrophobicContact CE2-CD1 4.42Å; F249-L311 HydrophobicContact CZ-CD1 4.17Å; T294-L311 CarbonylContact C-O 3.58Å; T294-L311 VanDerWaalsContact CA-O 3.23Å; T294-L311 WeakPolarHBondContact CA-O 3.44Å; V295-L311 HydrophobicContact CB-CB 4.46Å; V295-L311 PolarHBondContact N-O 3.35Å; V295-L311 PolarHBondContact O-N 3.27Å; V297-L311 HydrophobicContact CG1-CD1 4.13Å; V297-L311 HydrophobicContact CG1-CG 4.41Å; V297-L311 HydrophobicContact CG2-CG 4.24Å; L311-V314 HydrophobicContact CB-CG2 3.62Å; L311-V314 WeakPolarHBondContact O-CG2 3.27Å; L311-I325 HydrophobicContact CD1-CD1 4.05Å; L311-I325 HydrophobicContact CD1-CG1 4.28Å |
| 312 | Q | 89.7 | Confident | 84.7 | Confident | 103 Ų | 103 | 69.2 Ų | 69.2 | 48% | 0.481 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 162.5 | 176.4 | -63.4 | -173.5 | -1.7 | 0 | 0 | 111.5 | T294 H310 V314 | T294-Q312 HydrophobicContact CG2-CG 4.44Å; H310-Q312 VanDerWaalsContact CD2-CG 3.42Å; H310-Q312 WeakPolarHBondContact CD2-CG 3.25Å; H310-Q312 PolarHBondContact CD2-NE2 3.22Å; H310-Q312 PolarHBondContact NE2-NE2 3.15Å; Q312-V314 PolarHBondContact O-N 3.1Å; Q312-V314 VanDerWaalsContact O-N 3.13Å |
| 313 | N | 91.5 | Very high | 85.5 | Confident | 107 Ų | 107 | 68.7 Ų | 68.7 | 57% | 0.572 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 56.7 | 28.5 | 172.9 | -60.3 | -39.2 | 0 | 0 | 0 | 115.3 | R257 G293 | R257-N313 PolarHBondContact NH2-O 3.41Å; G293-N313 PolarHBondContact O-N 2.93Å |
| 314 | V | 94.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 128 | 179.7 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | H258 C260 F266 V292 G293 V295 L311 Q312 | H258-V314 HydrophobicContact CB-CB 4.25Å; H258-V314 HydrophobicContact CB-CG1 4.14Å; H258-V314 HydrophobicContact CB-CG2 3.92Å; C260-V314 HydrophobicContact CB-CG1 3.6Å; F266-V314 HydrophobicContact CE1-CB 3.8Å; F266-V314 HydrophobicContact CE1-CG1 3.99Å; F266-V314 WeakPolarHBondContact CE1-O 3.5Å; F266-V314 HydrophobicContact CZ-CB 4.26Å; F266-V314 HydrophobicContact CZ-CG1 3.92Å; V292-V314 CarbonylContact C-O 3.53Å; V292-V314 VanDerWaalsContact CA-O 3.29Å; V292-V314 WeakPolarHBondContact CA-O 3.4Å; G293-V314 PolarHBondContact N-O 3.32Å; G293-V314 PolarHBondContact O-N 2.82Å; V295-V314 HydrophobicContact CG2-CB 4.29Å; V295-V314 HydrophobicContact CG2-CG1 4.23Å; V295-V314 HydrophobicContact CG2-CG2 4.2Å; L311-V314 HydrophobicContact CB-CG2 3.62Å; L311-V314 WeakPolarHBondContact O-CG2 3.27Å; Q312-V314 PolarHBondContact O-N 3.1Å; Q312-V314 VanDerWaalsContact O-N 3.13Å |
| 315 | L | 94.2 | Very high | 88.2 | Confident | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 134.7 | 173.4 | -75.2 | 174 | 0 | 0 | 0 | 110.6 | R257 H258 I259 C260 I277 A289 V292 V317 | R257-L315 HydrophobicContact CB-CD1 3.81Å; R257-L315 HydrophobicContact CB-CG 4.38Å; R257-L315 HydrophobicContact CG-CD1 4.42Å; R257-L315 VanDerWaalsContact CZ-CG 3.48Å; H258-L315 WeakPolarHBondContact O-CB 3.4Å; H258-L315 PolarHBondContact O-N 3.25Å; I259-L315 HydrophobicContact CG1-CB 4.34Å; I259-L315 HydrophobicContact CG1-CD1 4.47Å; C260-L315 PolarHBondContact N-O 3.36Å; I277-L315 HydrophobicContact CD1-CD1 3.87Å; I277-L315 HydrophobicContact CG1-CD1 4.5Å; A289-L315 HydrophobicContact CB-CB 4.49Å; A289-L315 HydrophobicContact CB-CD1 4.49Å; A289-L315 HydrophobicContact CB-CD2 3.76Å; A289-L315 HydrophobicContact CB-CG 4.49Å; V292-L315 HydrophobicContact CG2-CD2 3.87Å; L315-V317 HydrophobicContact CB-CG2 4Å |
| 316 | Y | 94.3 | Very high | 89 | Confident | 28 Ų | 28 | 57.4 Ų | 57.4 | 11% | 0.11 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 113.3 | 168.1 | 175.4 | -118.8 | 0 | 0 | 0 | 110.3 | C260 N261 K263 F266 F269 A289 E290 G291 P318 | C260-Y316 VanDerWaalsContact O-CA 3.3Å; C260-Y316 WeakPolarHBondContact O-CA 3.45Å; C260-Y316 WeakPolarHBondContact O-CD2 3.49Å; N261-Y316 WeakPolarHBondContact O-CE2 3.47Å; K263-Y316 HydrophobicContact CB-CD2 4.19Å; K263-Y316 HydrophobicContact CB-CE1 4.3Å; K263-Y316 HydrophobicContact CB-CE2 3.61Å; K263-Y316 HydrophobicContact CD-CE1 4.08Å; K263-Y316 HydrophobicContact CG-CE1 4.31Å; K263-Y316 HydrophobicContact CG-CE2 4.34Å; K263-Y316 VanDerWaalsContact N-CE2 3.3Å; F266-Y316 AromaticContact CE2-CD2 3.94Å; F266-Y316 HydrophobicContact CE2-CD2 3.94Å; F266-Y316 HydrophobicContact CE2-CG 4.31Å; F269-Y316 HydrophobicContact CE2-CD1 4.01Å; F269-Y316 AromaticContact CE2-CG 3.97Å; F269-Y316 HydrophobicContact CE2-CG 3.97Å; F269-Y316 AromaticContact CZ-CD1 3.95Å; F269-Y316 HydrophobicContact CZ-CD1 3.95Å; F269-Y316 HydrophobicContact CZ-CG 4.38Å; A289-Y316 WeakPolarHBondContact CA-O 3.36Å; E290-Y316 HydrophobicContact CB-CD1 3.95Å; E290-Y316 HydrophobicContact CB-CE1 4.28Å; E290-Y316 PolarHBondContact N-O 3.37Å; E290-Y316 WeakPolarHBondContact OE2-CE1 3.48Å; G291-Y316 PolarHBondContact O-N 3.17Å; Y316-P318 HydrophobicContact CE1-CB 4.37Å; Y316-P318 HydrophobicContact CE1-CG 3.81Å; Y316-P318 HydrophobicContact CE2-CB 4.27Å; Y316-P318 HydrophobicContact CE2-CG 4.46Å |
| 317 | V | 91.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -130.7 | 86.5 | -176.1 | -170.5 | 0 | 0 | 0 | 0 | 108.4 | I259 C260 N261 I277 L287 A289 L315 K319 C320 | I259-V317 HydrophobicContact CG1-CG2 4.41Å; I259-V317 HydrophobicContact CG2-CB 3.76Å; I259-V317 HydrophobicContact CG2-CG2 3.67Å; C260-V317 PolarHBondContact O-N 3.11Å; N261-V317 WeakPolarHBondContact CA-O 3.46Å; N261-V317 VanDerWaalsContact CB-O 3.32Å; N261-V317 WeakPolarHBondContact CB-O 3.29Å; I277-V317 HydrophobicContact CD1-CB 4.38Å; I277-V317 HydrophobicContact CD1-CG1 4.19Å; I277-V317 HydrophobicContact CD1-CG2 3.27Å; L287-V317 HydrophobicContact CB-CG1 3.95Å; L287-V317 HydrophobicContact CD1-CG1 4.49Å; A289-V317 HydrophobicContact CB-CG2 4.09Å; L315-V317 HydrophobicContact CB-CG2 4Å; V317-K319 VanDerWaalsContact C-N 3.26Å; V317-K319 PolarHBondContact O-N 2.91Å; V317-C320 HydrophobicContact CB-CB 3.9Å; V317-C320 HydrophobicContact CG1-CB 3.76Å; V317-C320 VanDerWaalsContact O-CB 3.3Å; V317-C320 WeakPolarHBondContact O-CB 3.5Å; V317-C320 PolarHBondContact O-N 3.36Å | ||
| 318 | P | 87.2 | Confident | 90 | Very high | 43 Ų | 43 | 53.8 Ų | 53.8 | 28% | 0.279 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -32.5 | -172.1 | 10.6 | -19.7 | 0 | 0 | 0 | 114 | E290 Y316 C320 | E290-P318 HydrophobicContact CG-CG 4.37Å; E290-P318 WeakPolarHBondContact OE1-CG 3.38Å; Y316-P318 HydrophobicContact CE1-CB 4.37Å; Y316-P318 HydrophobicContact CE1-CG 3.81Å; Y316-P318 HydrophobicContact CE2-CB 4.27Å; Y316-P318 HydrophobicContact CE2-CG 4.46Å; P318-C320 VanDerWaalsContact C-N 3.27Å; P318-C320 PolarHBondContact O-N 3.27Å |
| 319 | K | 85.5 | Confident | 90.4 | Very high | 163 Ų | 163 | 50 Ų | 50 | 71% | 0.709 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -7.5 | 177.5 | -67.8 | -171.5 | 177.8 | -175.9 | 0 | 114 | L287 V317 R321 | L287-K319 HydrophobicContact CD2-CB 3.77Å; V317-K319 VanDerWaalsContact C-N 3.26Å; V317-K319 PolarHBondContact O-N 2.91Å; K319-R321 PolarHBondContact O-N 3.42Å |
| 320 | C | 85.7 | Confident | 90.6 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 10% | 0.101 | 23% | 0.23 | C | C | . | . | trans | -72.5 | 130 | 178.3 | -165.7 | 0 | 0 | 0 | 0 | 110.3 | I259 N261 L287 V317 P318 R322 | I259-C320 HydrophobicContact CG2-CB 3.93Å; N261-C320 VanDerWaalsContact CB-O 3.27Å; N261-C320 WeakPolarHBondContact CB-O 3.36Å; N261-C320 PolarHBondContact ND2-O 2.88Å; L287-C320 HydrophobicContact CD1-CB 4.47Å; V317-C320 HydrophobicContact CB-CB 3.9Å; V317-C320 HydrophobicContact CG1-CB 3.76Å; V317-C320 VanDerWaalsContact O-CB 3.3Å; V317-C320 WeakPolarHBondContact O-CB 3.5Å; V317-C320 PolarHBondContact O-N 3.36Å; P318-C320 VanDerWaalsContact C-N 3.27Å; P318-C320 PolarHBondContact O-N 3.27Å; C320-R322 VanDerWaalsContact C-N 3.33Å; C320-R322 PolarHBondContact O-N 3.07Å; C320-R322 PolarHBondContact SG-O 2.9Å | ||
| 321 | R | 81.7 | Confident | 90.7 | Very high | 221 Ų | 221 | 50.7 Ų | 50.7 | 83% | 0.834 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -72 | -23.2 | -177.5 | -80.2 | -174.2 | 173.7 | 166.6 | -0 | 114.3 | K319 | K319-R321 PolarHBondContact O-N 3.42Š|
| 322 | R | 87.5 | Confident | 90.6 | Very high | 79 Ų | 79 | 57.5 Ų | 57.5 | 30% | 0.298 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -136.6 | 148.6 | -175 | -64.5 | -62.8 | 179.3 | 114.3 | 6.8 | 110.3 | N245 C320 L324 | N245-R322 VanDerWaalsContact C-NH1 3.28Å; N245-R322 PolarHBondContact O-NH1 3.45Å; C320-R322 VanDerWaalsContact C-N 3.33Å; C320-R322 PolarHBondContact O-N 3.07Å; C320-R322 PolarHBondContact SG-O 2.9Å; R322-L324 HydrophobicContact CB-CD2 4.2Å |
| 323 | N | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 128.9 | 171.1 | -57.7 | -74.2 | 0 | 0 | 0 | 108.4 | F249 I250 I259 C260 N261 | F249-N323 CarbonylContact C-O 3.48Å; F249-N323 WeakPolarHBondContact CA-O 3.37Å; F249-N323 HydrophobicContact CD1-CB 3.56Å; F249-N323 HydrophobicContact CD2-CB 4.4Å; F249-N323 HydrophobicContact CE1-CB 3.69Å; F249-N323 HydrophobicContact CE2-CB 4.48Å; F249-N323 HydrophobicContact CG-CB 3.96Å; F249-N323 HydrophobicContact CZ-CB 4.16Å; I250-N323 PolarHBondContact N-O 3.42Å; I259-N323 CarbonylContact O-C 3.58Å; I259-N323 WeakPolarHBondContact O-CA 3.38Å; C260-N323 WeakPolarHBondContact CA-OD1 3.5Å; C260-N323 PolarHBondContact SG-OD1 3.21Å; N261-N323 PolarHBondContact N-OD1 3.26Å; N261-N323 PolarHBondContact OD1-ND2 3.22Å; N261-N323 PolarHBondContact OD1-OD1 3.13Å |
| 324 | L | 93.2 | Very high | 90.4 | Very high | 32 Ų | 32 | 52.7 Ų | 52.7 | 17% | 0.168 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 139.7 | -173.2 | -56.7 | -178.5 | 0 | 0 | 0 | 111.5 | I250 D252 A255 H258 I259 R322 | I250-L324 HydrophobicContact CB-CD2 4.03Å; I250-L324 CarbonylContact O-C 3.53Å; I250-L324 WeakPolarHBondContact O-CA 3.14Å; D252-L324 HydrophobicContact CB-CD2 4.4Å; A255-L324 HydrophobicContact CB-CB 4.26Å; A255-L324 HydrophobicContact CB-CD1 4.19Å; H258-L324 CarbonylContact C-O 3.48Å; H258-L324 WeakPolarHBondContact CA-O 3.47Å; I259-L324 HydrophobicContact CB-CB 4.28Å; I259-L324 HydrophobicContact CD1-CD1 4.4Å; I259-L324 PolarHBondContact N-O 3.25Å; I259-L324 PolarHBondContact O-N 2.95Å; R322-L324 HydrophobicContact CB-CD2 4.2Å |
| 325 | I | 94 | Very high | 90.4 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 106.8 | 169.1 | -64.9 | 178.6 | 0 | 0 | 0 | 107.9 | F249 I250 L251 D252 L311 V327 L330 L367 | F249-I325 HydrophobicContact CB-CD1 3.69Å; F249-I325 HydrophobicContact CB-CG1 3.95Å; F249-I325 HydrophobicContact CD1-CD1 4.04Å; F249-I325 HydrophobicContact CD1-CG1 3.56Å; F249-I325 HydrophobicContact CE1-CG1 4.36Å; F249-I325 HydrophobicContact CG-CD1 3.97Å; F249-I325 HydrophobicContact CG-CG1 4Å; I250-I325 PolarHBondContact O-N 3.27Å; L251-I325 HydrophobicContact CD1-CB 4.2Å; L251-I325 HydrophobicContact CD1-CG2 3.81Å; D252-I325 PolarHBondContact N-O 3.39Å; L311-I325 HydrophobicContact CD1-CD1 4.05Å; L311-I325 HydrophobicContact CD1-CG1 4.28Å; I325-V327 PolarHBondContact O-N 3.46Å; I325-L330 HydrophobicContact CG2-CD1 3.71Å; I325-L330 HydrophobicContact CG2-CD2 4.22Å; I325-L330 HydrophobicContact CG2-CG 3.95Å; I325-L367 HydrophobicContact CD1-CB 4.46Å; I325-L367 HydrophobicContact CD1-CD2 3.27Å; I325-L367 HydrophobicContact CD1-CG 4.37Å |
| 326 | S | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 122.7 | 172.7 | 166.3 | 0 | 0 | 0 | 0 | 111.8 | D252 A255 T256 H258 S328 S329 L330 | D252-S326 WeakPolarHBondContact O-CA 3.46Å; A255-S326 WeakPolarHBondContact O-CA 3.48Å; A255-S326 WeakPolarHBondContact O-CB 3.45Å; A255-S326 PolarHBondContact O-OG 3.46Å; T256-S326 VanDerWaalsContact C-OG 3.23Å; T256-S326 PolarHBondContact O-OG 2.78Å; H258-S326 PolarHBondContact CE1-O 3.01Å; H258-S326 PolarHBondContact ND1-N 3.37Å; S326-S328 VanDerWaalsContact C-N 3.35Å; S326-S328 PolarHBondContact OG-N 3.34Å; S326-S328 PolarHBondContact OG-OG 3.47Å; S326-S329 WeakPolarHBondContact CB-OG 3.23Å; S326-S329 PolarHBondContact O-N 3.36Å; S326-S329 PolarHBondContact OG-N 3.14Å; S326-S329 PolarHBondContact OG-OG 3.29Å; S326-L330 PolarHBondContact O-N 2.98Å; S326-L330 VanDerWaalsContact O-N 3.17Å |
| 327 | V | 92.1 | Very high | 90.3 | Very high | 39 Ų | 39 | 58.9 Ų | 58.9 | 24% | 0.236 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 172.8 | 178 | 0 | 0 | 0 | 0 | 111.2 | L251 D252 I325 S329 L330 E331 V337 | L251-V327 HydrophobicContact CD1-CG2 3.97Å; L251-V327 HydrophobicContact CG-CG2 4.06Å; D252-V327 PolarHBondContact O-N 3.07Å; D252-V327 VanDerWaalsContact O-N 3.16Å; I325-V327 PolarHBondContact O-N 3.46Å; V327-S329 VanDerWaalsContact C-N 3.27Å; V327-S329 PolarHBondContact O-N 3.27Å; V327-L330 WeakPolarHBondContact O-CB 3.2Å; V327-L330 PolarHBondContact O-N 3.28Å; V327-E331 PolarHBondContact O-N 2.92Å; V327-V337 HydrophobicContact CG1-CB 4.47Å; V327-V337 HydrophobicContact CG1-CG2 4.08Å; V327-V337 HydrophobicContact CG2-CG2 4.47Å |
| 328 | S | 90.6 | Very high | 90.3 | Very high | 48 Ų | 48 | 62 Ų | 62 | 34% | 0.336 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.6 | -29.4 | 176.5 | 58.6 | 0 | 0 | 0 | 0 | 113 | T256 S326 K332 | T256-S328 PolarHBondContact O-OG 2.81Å; S326-S328 VanDerWaalsContact C-N 3.35Å; S326-S328 PolarHBondContact OG-N 3.34Å; S326-S328 PolarHBondContact OG-OG 3.47Å; S328-K332 WeakPolarHBondContact O-CG 3.42Å; S328-K332 PolarHBondContact O-N 3.31Å |
| 329 | S | 92.7 | Very high | 90.5 | Very high | 18 Ų | 18 | 64.2 Ų | 64.2 | 13% | 0.126 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -74.8 | -33.5 | 173.9 | -62.1 | 0 | 0 | 0 | 0 | 112.3 | T256 R257 H258 S326 V327 | T256-S329 PolarHBondContact O-OG 3.12Å; T256-S329 VanDerWaalsContact O-OG 3.09Å; R257-S329 WeakPolarHBondContact CA-OG 3.26Å; H258-S329 WeakPolarHBondContact NE2-CB 3.3Å; S326-S329 WeakPolarHBondContact CB-OG 3.23Å; S326-S329 PolarHBondContact O-N 3.36Å; S326-S329 PolarHBondContact OG-N 3.14Å; S326-S329 PolarHBondContact OG-OG 3.29Å; V327-S329 VanDerWaalsContact C-N 3.27Å; V327-S329 PolarHBondContact O-N 3.27Å |
| 330 | L | 92.4 | Very high | 90.6 | Very high | 12 Ų | 12 | 63.2 Ų | 63.2 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 172.6 | -71.8 | 176.9 | 0 | 0 | 0 | 111.5 | L251 I325 S326 V327 K332 T333 G334 H335 V337 I346 | L251-L330 HydrophobicContact CD1-CD1 3.82Å; I325-L330 HydrophobicContact CG2-CD1 3.71Å; I325-L330 HydrophobicContact CG2-CD2 4.22Å; I325-L330 HydrophobicContact CG2-CG 3.95Å; S326-L330 PolarHBondContact O-N 2.98Å; S326-L330 VanDerWaalsContact O-N 3.17Å; V327-L330 WeakPolarHBondContact O-CB 3.2Å; V327-L330 PolarHBondContact O-N 3.28Å; L330-K332 VanDerWaalsContact C-N 3.35Å; L330-K332 PolarHBondContact O-N 2.9Å; L330-T333 CarbonylContact O-C 3.53Å; L330-T333 WeakPolarHBondContact O-CA 3.39Å; L330-T333 PolarHBondContact O-N 3.18Å; L330-T333 PolarHBondContact O-OG1 2.89Å; L330-G334 PolarHBondContact O-N 2.97Å; L330-H335 CarbonylContact C-O 3.49Å; L330-H335 HydrophobicContact CB-CB 4.14Å; L330-H335 WeakPolarHBondContact O-CB 3.3Å; L330-H335 PolarHBondContact O-N 3.06Å; L330-H335 VanDerWaalsContact O-N 3.1Å; L330-V337 HydrophobicContact CD1-CG2 4.12Å; L330-I346 HydrophobicContact CD1-CD1 3.85Å; L330-I346 HydrophobicContact CD1-CG2 4.23Å |
| 331 | E | 90.7 | Very high | 90.6 | Very high | 126 Ų | 126 | 69.3 Ų | 69.3 | 59% | 0.589 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -57.1 | -46.7 | 178.7 | -171.7 | -80.2 | 155.7 | 0 | 0 | 111.8 | V327 T333 G334 H335 | V327-E331 PolarHBondContact O-N 2.92Å; E331-T333 PolarHBondContact O-N 3.16Å; E331-G334 PolarHBondContact O-N 3.05Å; E331-H335 WeakPolarHBondContact CA-O 3.45Å; E331-H335 PolarHBondContact N-O 3.34Å |
| 332 | K | 89 | Confident | 90.8 | Very high | 164 Ų | 164 | 66.9 Ų | 66.9 | 71% | 0.713 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -21.1 | 174.4 | -70.4 | 175.1 | -176.9 | -178.3 | 0 | 114.9 | S328 L330 | S328-K332 WeakPolarHBondContact O-CG 3.42Å; S328-K332 PolarHBondContact O-N 3.31Å; L330-K332 VanDerWaalsContact C-N 3.35Å; L330-K332 PolarHBondContact O-N 2.9Å |
| 333 | T | 88.3 | Confident | 90.9 | Very high | 79 Ų | 79 | 64.4 Ų | 64.4 | 49% | 0.485 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 13.6 | 177.6 | 61.8 | 0 | 0 | 0 | 0 | 112.8 | L330 E331 H335 | L330-T333 CarbonylContact O-C 3.53Å; L330-T333 WeakPolarHBondContact O-CA 3.39Å; L330-T333 PolarHBondContact O-N 3.18Å; L330-T333 PolarHBondContact O-OG1 2.89Å; E331-T333 PolarHBondContact O-N 3.16Å; T333-H335 PolarHBondContact O-CE1 3.24Å; T333-H335 PolarHBondContact O-ND1 3.14Å; T333-H335 VanDerWaalsContact O-ND1 3.12Å; T333-H335 PolarHBondContact OG1-ND1 3.35Å |
| 334 | G | 88.5 | Confident | 90.9 | Very high | 31 Ų | 31 | 64.4 Ų | 64.4 | 32% | 0.32 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | 30 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | L330 E331 V349 | L330-G334 PolarHBondContact O-N 2.97Å; E331-G334 PolarHBondContact O-N 3.05Å; G334-V349 WeakPolarHBondContact O-CB 3.4Å; G334-V349 WeakPolarHBondContact O-CG2 3.06Å; G334-V349 PolarHBondContact O-N 3.45Å |
| 335 | H | 93.6 | Very high | 90.9 | Very high | 40 Ų | 40 | 67.2 Ų | 67.2 | 19% | 0.185 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 139.3 | 178 | -57.9 | 84.7 | 0 | 0 | 0 | 112 | L330 E331 T333 I346 Y347 | L330-H335 CarbonylContact C-O 3.49Å; L330-H335 HydrophobicContact CB-CB 4.14Å; L330-H335 WeakPolarHBondContact O-CB 3.3Å; L330-H335 PolarHBondContact O-N 3.06Å; L330-H335 VanDerWaalsContact O-N 3.1Å; E331-H335 WeakPolarHBondContact CA-O 3.45Å; E331-H335 PolarHBondContact N-O 3.34Å; T333-H335 PolarHBondContact O-CE1 3.24Å; T333-H335 PolarHBondContact O-ND1 3.14Å; T333-H335 VanDerWaalsContact O-ND1 3.12Å; T333-H335 PolarHBondContact OG1-ND1 3.35Å; H335-I346 HydrophobicContact CB-CG2 4.07Å; H335-Y347 CarbonylContact C-O 3.59Å; H335-Y347 WeakPolarHBondContact CA-O 3.2Å |
| 336 | Y | 91.4 | Very high | 90.9 | Very high | 90 Ų | 90 | 67.5 Ų | 67.5 | 35% | 0.353 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 152.6 | 173.8 | 72.5 | -84 | 0 | 0 | 0 | 111.3 | V338 Y347 V349 | Y336-V338 HydrophobicContact CD2-CG2 3.82Å; Y336-V338 HydrophobicContact CE2-CG2 3.56Å; Y336-Y347 HydrophobicContact CD2-CD2 4.43Å; Y336-Y347 HydrophobicContact CE1-CG 4.2Å; Y336-Y347 AromaticContact CE2-CD2 3.8Å; Y336-Y347 HydrophobicContact CE2-CD2 3.8Å; Y336-Y347 HydrophobicContact CE2-CG 4.06Å; Y336-Y347 AromaticContact CZ-CD2 3.96Å; Y336-Y347 AromaticContact CZ-CG 3.72Å; Y336-Y347 PolarHBondContact N-O 3.27Å; Y336-Y347 PolarHBondContact O-N 3.49Å; Y336-V349 HydrophobicContact CD1-CG2 3.75Å |
| 337 | V | 94.2 | Very high | 90.8 | Very high | 34 Ų | 34 | 69.8 Ų | 69.8 | 21% | 0.206 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.9 | -176.8 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | L251 V327 L330 I339 A344 R345 I346 | L251-V337 HydrophobicContact CD2-CG1 3.67Å; L251-V337 HydrophobicContact CD2-CG2 4.38Å; V327-V337 HydrophobicContact CG1-CB 4.47Å; V327-V337 HydrophobicContact CG1-CG2 4.08Å; V327-V337 HydrophobicContact CG2-CG2 4.47Å; L330-V337 HydrophobicContact CD1-CG2 4.12Å; V337-I339 HydrophobicContact CG1-CD1 4.37Å; V337-I339 HydrophobicContact CG1-CG1 3.86Å; V337-A344 HydrophobicContact CG1-CB 4.34Å; V337-R345 CarbonylContact C-O 3.51Å; V337-R345 WeakPolarHBondContact CA-O 3.29Å; V337-I346 HydrophobicContact CG2-CG1 4.27Å |
| 338 | V | 92.6 | Very high | 90.7 | Very high | 65 Ų | 65 | 69.5 Ų | 69.5 | 39% | 0.394 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 119.7 | 171.6 | -177.8 | 0 | 0 | 0 | 0 | 109 | Y336 R345 Y347 | Y336-V338 HydrophobicContact CD2-CG2 3.82Å; Y336-V338 HydrophobicContact CE2-CG2 3.56Å; V338-R345 PolarHBondContact N-O 3.29Å; V338-R345 PolarHBondContact O-N 3.46Å; V338-Y347 HydrophobicContact CB-CE2 4.13Å; V338-Y347 HydrophobicContact CG2-CD2 4.1Å; V338-Y347 HydrophobicContact CG2-CE2 4.02Å |
| 339 | I | 91.9 | Very high | 90.5 | Very high | 90 Ų | 90 | 71.1 Ų | 71.1 | 46% | 0.462 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 115.8 | 178.4 | -52.6 | -173.6 | 0 | 0 | 0 | 109 | V337 L343 A344 Y365 | V337-I339 HydrophobicContact CG1-CD1 4.37Å; V337-I339 HydrophobicContact CG1-CG1 3.86Å; I339-L343 WeakPolarHBondContact CA-O 3.44Å; I339-A344 HydrophobicContact CD1-CB 4.27Å; I339-A344 HydrophobicContact CG1-CB 3.8Å; I339-Y365 HydrophobicContact CD1-CD2 4.49Å; I339-Y365 HydrophobicContact CD1-CE2 4.25Å; I339-Y365 HydrophobicContact CG2-CE1 3.78Å; I339-Y365 HydrophobicContact CG2-CE2 3.98Å; I339-Y365 WeakPolarHBondContact CG2-OH 3.18Å |
| 340 | K | 86.1 | Confident | 90.1 | Very high | 143 Ų | 143 | 78.9 Ų | 78.9 | 62% | 0.622 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 146.1 | 177.1 | -168.7 | 173 | -178.6 | 176 | 0 | 110.3 | K342 L343 | K340-K342 PolarHBondContact O-N 3.43Å; K340-L343 PolarHBondContact N-O 3.33Å; K340-L343 PolarHBondContact O-N 3.15Å |
| 341 | N | 86.6 | Confident | 89.8 | Confident | 143 Ų | 143 | 82.6 Ų | 82.6 | 77% | 0.765 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 47.4 | 174.6 | -59.8 | -14 | 0 | 0 | 0 | 113.7 | L343 | N341-L343 PolarHBondContact O-N 3.41Å; N341-L343 VanDerWaalsContact O-N 3.16Å |
| 342 | K | 85.7 | Confident | 89.5 | Confident | 169 Ų | 169 | 84.2 Ų | 84.2 | 74% | 0.735 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 18.9 | -178.6 | -59.1 | -175.8 | 177.6 | -177.3 | 0 | 114.6 | K340 A360 | K340-K342 PolarHBondContact O-N 3.43Å; K342-A360 HydrophobicContact CB-CB 3.99Å; K342-A360 WeakPolarHBondContact O-CB 3.45Å; K342-A360 PolarHBondContact O-N 3.06Å |
| 343 | L | 89.2 | Confident | 89.4 | Confident | 27 Ų | 27 | 78.3 Ų | 78.3 | 14% | 0.141 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 131.6 | 178.6 | -159.2 | 81.9 | 0 | 0 | 0 | 110.1 | I339 K340 N341 R345 E357 C359 | I339-L343 WeakPolarHBondContact CA-O 3.44Å; K340-L343 PolarHBondContact N-O 3.33Å; K340-L343 PolarHBondContact O-N 3.15Å; N341-L343 PolarHBondContact O-N 3.41Å; N341-L343 VanDerWaalsContact O-N 3.16Å; L343-R345 HydrophobicContact CD2-CG 3.88Å; L343-R345 HydrophobicContact CG-CG 4.42Å; L343-E357 HydrophobicContact CD2-CG 4.45Å; L343-C359 HydrophobicContact CD1-CB 4.39Å; L343-C359 WeakPolarHBondContact CD1-SG 3.48Å |
| 344 | A | 91.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 123 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | L251 V337 I339 E357 A358 Y365 | L251-A344 HydrophobicContact CD2-CB 3.66Å; V337-A344 HydrophobicContact CG1-CB 4.34Å; I339-A344 HydrophobicContact CD1-CB 4.27Å; I339-A344 HydrophobicContact CG1-CB 3.8Å; A344-E357 CarbonylContact O-C 3.59Å; A344-E357 WeakPolarHBondContact O-CA 3.49Å; A344-A358 HydrophobicContact CB-CB 4.21Å; A344-A358 PolarHBondContact N-O 3.36Å; A344-A358 PolarHBondContact O-N 3.48Å; A344-Y365 HydrophobicContact CB-CD1 3.65Å; A344-Y365 HydrophobicContact CB-CE1 4.16Å; A344-Y365 HydrophobicContact CB-CG 4.02Å |
| 345 | R | 93.3 | Very high | 89.5 | Confident | 91 Ų | 91 | 75.5 Ų | 75.5 | 34% | 0.343 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 131.1 | -179.9 | -68.6 | -165 | 178.1 | 103.5 | -0.9 | 110.1 | V337 V338 L343 Y347 L354 E357 | V337-R345 CarbonylContact C-O 3.51Å; V337-R345 WeakPolarHBondContact CA-O 3.29Å; V338-R345 PolarHBondContact N-O 3.29Å; V338-R345 PolarHBondContact O-N 3.46Å; L343-R345 HydrophobicContact CD2-CG 3.88Å; L343-R345 HydrophobicContact CG-CG 4.42Å; R345-Y347 HydrophobicContact CB-CD2 4.19Å; R345-Y347 HydrophobicContact CB-CE2 3.41Å; R345-Y347 VanDerWaalsContact CB-CE2 3.41Å; R345-Y347 WeakPolarHBondContact CD-OH 3.4Å; R345-L354 HydrophobicContact CB-CD1 3.71Å; R345-L354 HydrophobicContact CG-CD1 4.01Å; R345-E357 HydrophobicContact CG-CG 4.21Å; R345-E357 IonicContact CZ-OE1 3.37Å; R345-E357 IonicContact NE-OE1 3.16Å; R345-E357 PolarHBondContact NE-OE1 3.15Å; R345-E357 IonicContact NH2-OE1 3.74Å |
| 346 | I | 93.9 | Very high | 89.4 | Confident | 8 Ų | 8 | 73.6 Ų | 73.6 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.7 | 179.3 | -49.4 | -179 | 0 | 0 | 0 | 107.7 | L251 L330 H335 V337 I355 A356 L367 | L251-I346 HydrophobicContact CD1-CD1 4.2Å; L330-I346 HydrophobicContact CD1-CD1 3.85Å; L330-I346 HydrophobicContact CD1-CG2 4.23Å; H335-I346 HydrophobicContact CB-CG2 4.07Å; V337-I346 HydrophobicContact CG2-CG1 4.27Å; I346-I355 PolarHBondContact O-N 3.25Å; I346-A356 HydrophobicContact CB-CB 4.31Å; I346-A356 HydrophobicContact CD1-CB 4.14Å; I346-A356 HydrophobicContact CG1-CB 4.37Å; I346-A356 PolarHBondContact N-O 2.94Å; I346-A356 PolarHBondContact O-N 3.4Å; I346-L367 HydrophobicContact CD1-CD1 4.01Å |
| 347 | Y | 92.8 | Very high | 89.3 | Confident | 49 Ų | 49 | 70.1 Ų | 70.1 | 19% | 0.192 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 146.1 | -178.9 | -66.4 | -88.4 | 0 | 0 | 0 | 110.6 | H335 Y336 V338 R345 A353 L354 | H335-Y347 CarbonylContact C-O 3.59Å; H335-Y347 WeakPolarHBondContact CA-O 3.2Å; Y336-Y347 HydrophobicContact CD2-CD2 4.43Å; Y336-Y347 HydrophobicContact CE1-CG 4.2Å; Y336-Y347 AromaticContact CE2-CD2 3.8Å; Y336-Y347 HydrophobicContact CE2-CD2 3.8Å; Y336-Y347 HydrophobicContact CE2-CG 4.06Å; Y336-Y347 AromaticContact CZ-CD2 3.96Å; Y336-Y347 AromaticContact CZ-CG 3.72Å; Y336-Y347 PolarHBondContact N-O 3.27Å; Y336-Y347 PolarHBondContact O-N 3.49Å; V338-Y347 HydrophobicContact CB-CE2 4.13Å; V338-Y347 HydrophobicContact CG2-CD2 4.1Å; V338-Y347 HydrophobicContact CG2-CE2 4.02Å; R345-Y347 HydrophobicContact CB-CD2 4.19Å; R345-Y347 HydrophobicContact CB-CE2 3.41Å; R345-Y347 VanDerWaalsContact CB-CE2 3.41Å; R345-Y347 WeakPolarHBondContact CD-OH 3.4Å; Y347-A353 VanDerWaalsContact CA-O 3.31Å; Y347-A353 WeakPolarHBondContact CA-O 3.43Å; Y347-L354 HydrophobicContact CD1-CB 4.26Å; Y347-L354 HydrophobicContact CD1-CD1 4.36Å; Y347-L354 HydrophobicContact CE1-CB 3.97Å; Y347-L354 HydrophobicContact CE1-CD1 3.95Å; Y347-L354 HydrophobicContact CE2-CD1 4.41Å |
| 348 | D | 89.4 | Confident | 89.2 | Confident | 33 Ų | 33 | 68.5 Ų | 68.5 | 18% | 0.176 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 130.7 | 168 | 177.1 | -84.7 | 0 | 0 | 0 | 109.4 | E350 T351 K352 A353 I355 | D348-E350 PolarHBondContact OD1-N 3.26Å; D348-T351 WeakPolarHBondContact CB-OG1 3.39Å; D348-T351 VanDerWaalsContact CG-OG1 3.25Å; D348-T351 WeakPolarHBondContact OD1-CB 3.34Å; D348-T351 PolarHBondContact OD1-N 3.42Å; D348-T351 PolarHBondContact OD1-OG1 2.94Å; D348-K352 WeakPolarHBondContact O-CA 3.43Å; D348-K352 PolarHBondContact O-N 3.16Å; D348-A353 PolarHBondContact N-O 3.2Å; D348-I355 HydrophobicContact CB-CD1 3.91Å; D348-I355 HydrophobicContact CB-CG1 3.78Å |
| 349 | V | 87.1 | Confident | 89 | Confident | 82 Ų | 82 | 67 Ų | 67 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -39.5 | -174.3 | 171 | 0 | 0 | 0 | 0 | 111.5 | G334 Y336 | G334-V349 WeakPolarHBondContact O-CB 3.4Å; G334-V349 WeakPolarHBondContact O-CG2 3.06Å; G334-V349 PolarHBondContact O-N 3.45Å; Y336-V349 HydrophobicContact CD1-CG2 3.75Å |
| 350 | E | 83.5 | Confident | 88.7 | Confident | 181 Ų | 181 | 64.6 Ų | 64.6 | 85% | 0.846 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -49.6 | -173.7 | -172.9 | 178 | -176.6 | 0 | 0 | 111.6 | D348 | D348-E350 PolarHBondContact OD1-N 3.26Š|
| 351 | T | 86.2 | Confident | 88.4 | Confident | 90 Ų | 90 | 62.4 Ų | 62.4 | 55% | 0.552 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -14.3 | -175.6 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | D348 A353 | D348-T351 WeakPolarHBondContact CB-OG1 3.39Å; D348-T351 VanDerWaalsContact CG-OG1 3.25Å; D348-T351 WeakPolarHBondContact OD1-CB 3.34Å; D348-T351 PolarHBondContact OD1-N 3.42Å; D348-T351 PolarHBondContact OD1-OG1 2.94Å; T351-A353 PolarHBondContact O-N 2.99Å; T351-A353 VanDerWaalsContact O-N 3.1Å; T351-A353 VanDerWaalsContact OG1-CB 3.3Å; T351-A353 WeakPolarHBondContact OG1-CB 3.18Å; T351-A353 PolarHBondContact OG1-N 3.49Å |
| 352 | K | 85.3 | Confident | 88 | Confident | 159 Ų | 159 | 62.3 Ų | 62.3 | 69% | 0.691 | 31% | 0.312 | S | S | * | . | trans | 55.2 | 18.3 | -169 | -56 | -171.3 | 178.8 | -175.7 | 0 | 113.4 | D348 | D348-K352 WeakPolarHBondContact O-CA 3.43Å; D348-K352 PolarHBondContact O-N 3.16Å | ||
| 353 | A | 85.8 | Confident | 87.7 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 33% | 0.331 | 31% | 0.313 | S | S | . | . | trans | -77.2 | 142.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y347 D348 T351 I355 | Y347-A353 VanDerWaalsContact CA-O 3.31Å; Y347-A353 WeakPolarHBondContact CA-O 3.43Å; D348-A353 PolarHBondContact N-O 3.2Å; T351-A353 PolarHBondContact O-N 2.99Å; T351-A353 VanDerWaalsContact O-N 3.1Å; T351-A353 VanDerWaalsContact OG1-CB 3.3Å; T351-A353 WeakPolarHBondContact OG1-CB 3.18Å; T351-A353 PolarHBondContact OG1-N 3.49Å; A353-I355 HydrophobicContact CB-CD1 4.47Å; A353-I355 PolarHBondContact O-N 2.88Å | ||
| 354 | L | 89 | Confident | 87.6 | Confident | 27 Ų | 27 | 59.9 Ų | 59.9 | 14% | 0.141 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 113.7 | 171.7 | 178.3 | 64.4 | 0 | 0 | 0 | 109.4 | R345 Y347 A356 E357 | R345-L354 HydrophobicContact CB-CD1 3.71Å; R345-L354 HydrophobicContact CG-CD1 4.01Å; Y347-L354 HydrophobicContact CD1-CB 4.26Å; Y347-L354 HydrophobicContact CD1-CD1 4.36Å; Y347-L354 HydrophobicContact CE1-CB 3.97Å; Y347-L354 HydrophobicContact CE1-CD1 3.95Å; Y347-L354 HydrophobicContact CE2-CD1 4.41Å; L354-A356 WeakPolarHBondContact CD1-O 3.41Å; L354-E357 HydrophobicContact CD1-CG 4.31Å; L354-E357 HydrophobicContact CD2-CG 4.05Å |
| 355 | I | 89.3 | Confident | 87.6 | Confident | 24 Ų | 24 | 62.9 Ų | 62.9 | 12% | 0.123 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -38.8 | -178.3 | -59 | -55.7 | 0 | 0 | 0 | 111.5 | L299 C301 L307 I346 D348 A353 | L299-I355 HydrophobicContact CD1-CG2 3.88Å; C301-I355 PolarHBondContact SG-O 3.34Å; L307-I355 HydrophobicContact CD2-CD1 4.13Å; L307-I355 HydrophobicContact CD2-CG2 4.12Å; I346-I355 PolarHBondContact O-N 3.25Å; D348-I355 HydrophobicContact CB-CD1 3.91Å; D348-I355 HydrophobicContact CB-CG1 3.78Å; A353-I355 HydrophobicContact CB-CD1 4.47Å; A353-I355 PolarHBondContact O-N 2.88Å |
| 356 | A | 92 | Very high | 87.5 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 160 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L299 Y300 I346 L354 L367 | L299-A356 HydrophobicContact CB-CB 4.06Å; L299-A356 HydrophobicContact CD1-CB 4.01Å; L299-A356 HydrophobicContact CD2-CB 4.43Å; L299-A356 HydrophobicContact CG-CB 4.39Å; Y300-A356 WeakPolarHBondContact O-CA 3.4Å; I346-A356 HydrophobicContact CB-CB 4.31Å; I346-A356 HydrophobicContact CD1-CB 4.14Å; I346-A356 HydrophobicContact CG1-CB 4.37Å; I346-A356 PolarHBondContact N-O 2.94Å; I346-A356 PolarHBondContact O-N 3.4Å; L354-A356 WeakPolarHBondContact CD1-O 3.41Å; A356-L367 HydrophobicContact CB-CD1 3.82Å |
| 357 | E | 90.5 | Very high | 87.4 | Confident | 17 Ų | 17 | 58.7 Ų | 58.7 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 139.3 | 169 | -56.7 | -167.1 | 140.9 | 0 | 0 | 111.3 | Y300 L343 A344 R345 L354 R368 | Y300-E357 HydrophobicContact CD1-CB 4.39Å; Y300-E357 HydrophobicContact CD1-CG 4.49Å; Y300-E357 WeakPolarHBondContact CE1-OE2 3.25Å; Y300-E357 PolarHBondContact O-N 3.36Å; Y300-E357 VanDerWaalsContact O-N 3.12Å; L343-E357 HydrophobicContact CD2-CG 4.45Å; A344-E357 CarbonylContact O-C 3.59Å; A344-E357 WeakPolarHBondContact O-CA 3.49Å; R345-E357 HydrophobicContact CG-CG 4.21Å; R345-E357 IonicContact CZ-OE1 3.37Å; R345-E357 IonicContact NE-OE1 3.16Å; R345-E357 PolarHBondContact NE-OE1 3.15Å; R345-E357 IonicContact NH2-OE1 3.74Å; L354-E357 HydrophobicContact CD1-CG 4.31Å; L354-E357 HydrophobicContact CD2-CG 4.05Å; E357-R368 VanDerWaalsContact O-CB 3.25Å; E357-R368 WeakPolarHBondContact O-CB 3.38Å; E357-R368 WeakPolarHBondContact O-CG 3.43Å; E357-R368 PolarHBondContact O-N 3.42Å; E357-R368 IonicContact OE2-NH1 2.76Å |
| 358 | A | 91.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 134.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | A344 V366 L367 | A344-A358 HydrophobicContact CB-CB 4.21Å; A344-A358 PolarHBondContact N-O 3.36Å; A344-A358 PolarHBondContact O-N 3.48Å; A358-V366 CarbonylContact C-O 3.49Å; A358-V366 WeakPolarHBondContact CA-O 3.26Å; A358-V366 WeakPolarHBondContact CB-O 3.45Å; A358-L367 HydrophobicContact CB-CB 4.42Å; A358-L367 HydrophobicContact CB-CD1 4.14Å |
| 359 | C | 88.4 | Confident | 86.9 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 23% | 0.23 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 138.9 | -178.6 | -65.1 | 0 | 0 | 0 | 0 | 110.5 | L343 R361 V366 | L343-C359 HydrophobicContact CD1-CB 4.39Å; L343-C359 WeakPolarHBondContact CD1-SG 3.48Å; C359-R361 PolarHBondContact O-N 3.04Å; C359-V366 PolarHBondContact N-O 3.29Å; C359-V366 PolarHBondContact O-N 3.09Å |
| 360 | A | 84.9 | Confident | 86.7 | Confident | 39 Ų | 39 | 61 Ų | 61 | 32% | 0.322 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 120 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | K342 L364 Y365 | K342-A360 HydrophobicContact CB-CB 3.99Å; K342-A360 WeakPolarHBondContact O-CB 3.45Å; K342-A360 PolarHBondContact O-N 3.06Å; A360-L364 CarbonylContact C-O 3.56Å; A360-L364 VanDerWaalsContact CA-O 3.3Å; A360-L364 WeakPolarHBondContact CA-O 3.39Å; A360-Y365 HydrophobicContact CB-CD1 4.2Å; A360-Y365 HydrophobicContact CB-CE1 3.9Å |
| 361 | R | 80 | Confident | 86.7 | Confident | 98 Ų | 98 | 54.2 Ų | 54.2 | 37% | 0.37 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 125.7 | 169.1 | -68.2 | -175.3 | 179.3 | -176.5 | -2 | 107.8 | C359 G363 L364 V366 | C359-R361 PolarHBondContact O-N 3.04Å; R361-G363 PolarHBondContact O-N 3.49Å; R361-G363 VanDerWaalsContact O-N 3.1Å; R361-L364 PolarHBondContact N-O 3.44Å; R361-L364 PolarHBondContact O-N 2.75Å; R361-V366 HydrophobicContact CB-CG2 4Å; R361-V366 HydrophobicContact CG-CG2 4.38Å |
| 362 | D | 77.9 | Confident | 85.9 | Confident | 140 Ų | 140 | 56.3 Ų | 56.3 | 75% | 0.749 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 37.1 | 179.7 | -48 | -38.2 | 0 | 0 | 0 | 113.4 | N245 L364 | N245-D362 PolarHBondContact ND2-OD2 2.78Å; N245-D362 VanDerWaalsContact ND2-OD2 3.13Å; D362-L364 VanDerWaalsContact C-N 3.33Å; D362-L364 PolarHBondContact O-N 3.35Å |
| 363 | G | 80.1 | Confident | 84.6 | Confident | 72 Ų | 72 | 49.7 Ų | 49.7 | 74% | 0.742 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | -8.1 | -178 | 0 | 0 | 0 | 0 | 0 | 116 | R361 | R361-G363 PolarHBondContact O-N 3.49Å; R361-G363 VanDerWaalsContact O-N 3.1Å |
| 364 | L | 87.6 | Confident | 83 | Confident | 73 Ų | 73 | 55 Ų | 55 | 38% | 0.382 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 142 | 180 | -62.1 | 176.6 | 0 | 0 | 0 | 112.2 | I250 A360 R361 D362 V366 | I250-L364 HydrophobicContact CD1-CB 4.32Å; I250-L364 HydrophobicContact CD1-CD1 4.38Å; I250-L364 HydrophobicContact CG2-CB 4.07Å; I250-L364 HydrophobicContact CG2-CD2 4.25Å; A360-L364 CarbonylContact C-O 3.56Å; A360-L364 VanDerWaalsContact CA-O 3.3Å; A360-L364 WeakPolarHBondContact CA-O 3.39Å; R361-L364 PolarHBondContact N-O 3.44Å; R361-L364 PolarHBondContact O-N 2.75Å; D362-L364 VanDerWaalsContact C-N 3.33Å; D362-L364 PolarHBondContact O-N 3.35Å; L364-V366 PolarHBondContact O-N 3.34Å |
| 365 | Y | 91.8 | Very high | 80.9 | Confident | 63 Ų | 63 | 59 Ų | 59 | 25% | 0.247 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 94.4 | 174.2 | -70.8 | -78.2 | 0 | 0 | 0 | 110.8 | I250 L251 I339 A344 A360 | I250-Y365 WeakPolarHBondContact CA-O 3.13Å; L251-Y365 PolarHBondContact N-O 3.35Å; I339-Y365 HydrophobicContact CD1-CD2 4.49Å; I339-Y365 HydrophobicContact CD1-CE2 4.25Å; I339-Y365 HydrophobicContact CG2-CE1 3.78Å; I339-Y365 HydrophobicContact CG2-CE2 3.98Å; I339-Y365 WeakPolarHBondContact CG2-OH 3.18Å; A344-Y365 HydrophobicContact CB-CD1 3.65Å; A344-Y365 HydrophobicContact CB-CE1 4.16Å; A344-Y365 HydrophobicContact CB-CG 4.02Å; A360-Y365 HydrophobicContact CB-CD1 4.2Å; A360-Y365 HydrophobicContact CB-CE1 3.9Å |
| 366 | V | 90.9 | Very high | 78.4 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.03 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 118.2 | -179.7 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | A248 I250 A358 C359 R361 L364 R368 | A248-V366 HydrophobicContact CB-CG1 3.6Å; I250-V366 HydrophobicContact CD1-CB 4.34Å; I250-V366 HydrophobicContact CD1-CG1 4.46Å; I250-V366 HydrophobicContact CD1-CG2 3.75Å; A358-V366 CarbonylContact C-O 3.49Å; A358-V366 WeakPolarHBondContact CA-O 3.26Å; A358-V366 WeakPolarHBondContact CB-O 3.45Å; C359-V366 PolarHBondContact N-O 3.29Å; C359-V366 PolarHBondContact O-N 3.09Å; R361-V366 HydrophobicContact CB-CG2 4Å; R361-V366 HydrophobicContact CG-CG2 4.38Å; L364-V366 PolarHBondContact O-N 3.34Å; V366-R368 PolarHBondContact O-N 3.36Å |
| 367 | L | 91.4 | Very high | 75.6 | Confident | 7 Ų | 7 | 65.8 Ų | 65.8 | 4% | 0.037 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 130.2 | 179.1 | -171.8 | 70.1 | 0 | 0 | 0 | 111 | F249 L299 I325 I346 A356 A358 A369 | F249-L367 HydrophobicContact CB-CB 4.25Å; F249-L367 HydrophobicContact CB-CD2 4.46Å; F249-L367 WeakPolarHBondContact O-CB 3.45Å; F249-L367 PolarHBondContact O-N 2.94Å; L299-L367 HydrophobicContact CD2-CD2 3.77Å; L299-L367 HydrophobicContact CD2-CG 4.46Å; I325-L367 HydrophobicContact CD1-CB 4.46Å; I325-L367 HydrophobicContact CD1-CD2 3.27Å; I325-L367 HydrophobicContact CD1-CG 4.37Å; I346-L367 HydrophobicContact CD1-CD1 4.01Å; A356-L367 HydrophobicContact CB-CD1 3.82Å; A358-L367 HydrophobicContact CB-CB 4.42Å; A358-L367 HydrophobicContact CB-CD1 4.14Å; L367-A369 VanDerWaalsContact C-N 3.31Å; L367-A369 HydrophobicContact CD2-CB 3.88Å; L367-A369 HydrophobicContact CG-CB 4.06Å; L367-A369 PolarHBondContact O-N 2.84Å |
| 368 | R | 87.1 | Confident | 72.8 | Confident | 42 Ų | 42 | 68.9 Ų | 68.9 | 16% | 0.158 | 39% | 0.388 | C | S | . | . | trans | -79.1 | 82.9 | 173.3 | -61.4 | 179 | 73.5 | 176.4 | 1.4 | 109.4 | L237 L241 Y300 E357 V366 | L237-R368 PolarHBondContact O-NH2 2.84Å; L241-R368 HydrophobicContact CD1-CB 4.34Å; L241-R368 HydrophobicContact CD1-CG 4.24Å; Y300-R368 WeakPolarHBondContact CB-O 3.46Å; Y300-R368 HydrophobicContact CD1-CB 4.38Å; Y300-R368 VanDerWaalsContact CD1-CZ 3.43Å; Y300-R368 HydrophobicContact CG-CB 4.35Å; Y300-R368 PolarHBondContact N-O 2.72Å; E357-R368 VanDerWaalsContact O-CB 3.25Å; E357-R368 WeakPolarHBondContact O-CB 3.38Å; E357-R368 WeakPolarHBondContact O-CG 3.43Å; E357-R368 PolarHBondContact O-N 3.42Å; E357-R368 IonicContact OE2-NH1 2.76Å; V366-R368 PolarHBondContact O-N 3.36Å | ||
| 369 | A | 85.6 | Confident | 70.1 | Confident | 23 Ų | 23 | 73.7 Ų | 73.7 | 19% | 0.19 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 153.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T298 L299 L367 | T298-A369 CarbonylContact O-C 3.53Å; T298-A369 VanDerWaalsContact O-CA 3.27Å; T298-A369 WeakPolarHBondContact O-CA 3.37Å; L299-A369 HydrophobicContact CD2-CB 3.68Å; L367-A369 VanDerWaalsContact C-N 3.31Å; L367-A369 HydrophobicContact CD2-CB 3.88Å; L367-A369 HydrophobicContact CG-CB 4.06Å; L367-A369 PolarHBondContact O-N 2.84Å |
| 370 | K | 82.4 | Confident | 67.4 | Low | 146 Ų | 146 | 80.5 Ų | 80.5 | 64% | 0.635 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 127.6 | 166.5 | -178.8 | 178.5 | -178.4 | 178 | 0 | 108.9 | T298 | T298-K370 PolarHBondContact N-O 2.89Å; T298-K370 PolarHBondContact O-N 2.86Å |
| 371 | I | 82.1 | Confident | 65.5 | Low | 39 Ų | 39 | 80.5 Ų | 80.5 | 20% | 0.2 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 134.3 | -179.7 | -47.8 | -55.7 | 0 | 0 | 0 | 110.5 | F249 W265 V295 V297 | F249-I371 HydrophobicContact CD2-CD1 3.71Å; F249-I371 HydrophobicContact CE2-CD1 3.58Å; F249-I371 HydrophobicContact CE2-CG1 4.43Å; W265-I371 HydrophobicContact CB-CG2 3.88Å; W265-I371 HydrophobicContact CD2-CB 4.16Å; W265-I371 HydrophobicContact CD2-CG1 4.06Å; W265-I371 HydrophobicContact CD2-CG2 3.61Å; W265-I371 HydrophobicContact CE3-CB 4.35Å; W265-I371 HydrophobicContact CE3-CD1 4.3Å; W265-I371 HydrophobicContact CE3-CG1 3.8Å; W265-I371 HydrophobicContact CE3-CG2 3.91Å; W265-I371 HydrophobicContact CG-CG2 3.62Å; W265-I371 HydrophobicContact CH2-CG1 3.83Å; W265-I371 HydrophobicContact CZ2-CG1 4.08Å; W265-I371 HydrophobicContact CZ3-CD1 4.2Å; W265-I371 HydrophobicContact CZ3-CG1 3.69Å; V295-I371 HydrophobicContact CG1-CG2 3.93Å; V297-I371 HydrophobicContact CB-CD1 4.49Å; V297-I371 HydrophobicContact CG1-CD1 3.61Å |
| 372 | R | 70.9 | Confident | 64 | Low | 135 Ų | 135 | 83.9 Ų | 83.9 | 51% | 0.509 | 46% | 0.463 | S | S | . | . | trans | -102.2 | 60.2 | 175 | -58.2 | -179.1 | 69.9 | -162.4 | 2.2 | 109.2 | E296 | E296-R372 HydrophobicContact CB-CB 3.75Å; E296-R372 PolarHBondContact O-N 2.76Å | ||
| 373 | G | 58.1 | Low | 62.8 | Low | 20 Ų | 20 | 85 Ų | 85 | 21% | 0.206 | 46% | 0.461 | C | S | . | . | trans | -62.7 | 154.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D264 N375 | D264-G373 WeakPolarHBondContact O-CA 3.23Å; G373-N375 PolarHBondContact O-N 2.94Å | ||
| 374 | K | 52.1 | Low | 62.2 | Low | 151 Ų | 151 | 83.2 Ų | 83.2 | 66% | 0.657 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -62.1 | -25.1 | 178 | -84.2 | -176.4 | 178.1 | 171.4 | 0 | 112.6 | D264 S267 | D264-K374 PolarHBondContact O-N 3.1Å; S267-K374 WeakPolarHBondContact O-CE 3.34Å; S267-K374 PolarHBondContact O-NZ 3.19Å |
| 375 | N | 43.6 | Very low | 61.8 | Low | 112 Ų | 112 | 84.1 Ų | 84.1 | 60% | 0.599 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -126.9 | 96.2 | 174.2 | -63.6 | -26 | 0 | 0 | 0 | 107 | G373 M377 | G373-N375 PolarHBondContact O-N 2.94Å; N375-M377 PolarHBondContact O-N 3.28Å |
| 376 | G | 37.8 | Very low | 61.2 | Low | 71 Ų | 71 | 81.6 Ų | 81.6 | 73% | 0.732 | 43% | 0.432 | S | S | * | . | trans | -49.5 | 121.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | A378 | G376-A378 PolarHBondContact O-N 2.84Š| ||
| 377 | M | 33.2 | Very low | 60.9 | Low | 95 Ų | 95 | 83.3 Ų | 83.3 | 47% | 0.468 | 44% | 0.442 | S | S | . | . | trans | -34.7 | 101.2 | -172.9 | -78.2 | -169.1 | 160.8 | 0 | 0 | 111.3 | N375 L379 | N375-M377 PolarHBondContact O-N 3.28Å; M377-L379 PolarHBondContact O-N 2.79Å | ||
| 378 | A | 32 | Very low | 60.7 | Low | 82 Ų | 82 | 85.3 Ų | 85.3 | 68% | 0.678 | 45% | 0.454 | S | S | * | . | trans | -64.7 | 88.9 | 149.4 | 0 | 0 | 0 | 0 | 0 | 103.7 | G376 N380 | G376-A378 PolarHBondContact O-N 2.84Å; A378-N380 PolarHBondContact O-N 2.8Å | ||
| 379 | L | 34.7 | Very low | 60.9 | Low | 100 Ų | 100 | 83.5 Ų | 83.5 | 52% | 0.524 | 45% | 0.447 | S | S | . | . | trans | -38.7 | 134.6 | 140.2 | -87.6 | 143.2 | 0 | 0 | 0 | 105.2 | M377 V381 | M377-L379 PolarHBondContact O-N 2.79Å; L379-V381 HydrophobicContact CB-CG2 4.02Å; L379-V381 PolarHBondContact O-N 3.08Å | ||
| 380 | N | 32.2 | Very low | 61.2 | Low | 178 Ų | 178 | 82.7 Ų | 82.7 | 95% | 0.952 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -56.1 | 73.3 | 168.6 | -89.6 | -22.7 | 0 | 0 | 0 | 108.6 | A378 | A378-N380 PolarHBondContact O-N 2.8Š|
| 381 | V | 44 | Very low | 61.7 | Low | 39 Ų | 39 | 80.2 Ų | 80.2 | 24% | 0.236 | 43% | 0.429 | C | S | . | . | trans | -87.7 | 112 | 163.8 | -178.3 | 0 | 0 | 0 | 0 | 99.9 | L379 K383 V414 | L379-V381 HydrophobicContact CB-CG2 4.02Å; L379-V381 PolarHBondContact O-N 3.08Å; V381-K383 PolarHBondContact O-N 3.2Å; V381-K383 VanDerWaalsContact O-N 3.15Å; V381-V414 HydrophobicContact CB-CG2 4.17Å; V381-V414 HydrophobicContact CG1-CB 4.39Å; V381-V414 HydrophobicContact CG1-CG2 4.24Å; V381-V414 HydrophobicContact CG2-CG2 4.48Å | ||
| 382 | E | 47.8 | Very low | 62.2 | Low | 169 Ų | 169 | 79.7 Ų | 79.7 | 79% | 0.79 | 42% | 0.424 | S | S | * | . | trans | -41 | 129.8 | 167.1 | -79.7 | 179.5 | 148.3 | 0 | 0 | 108.1 | I384 | E382-I384 VanDerWaalsContact C-N 3.26Å; E382-I384 WeakPolarHBondContact O-CG1 3.23Å; E382-I384 PolarHBondContact O-N 2.94Å | ||
| 383 | K | 52.7 | Low | 63.4 | Low | 163 Ų | 163 | 73.2 Ų | 73.2 | 71% | 0.709 | 40% | 0.4 | S | S | * | . | trans | -69.1 | 90.3 | -179.8 | -113.3 | -176.1 | -167.6 | 178.2 | 0 | 106.9 | V381 V414 S416 | V381-K383 PolarHBondContact O-N 3.2Å; V381-K383 VanDerWaalsContact O-N 3.15Å; K383-V414 HydrophobicContact CG-CG1 4.34Å; K383-S416 WeakPolarHBondContact CA-OG 3.46Å; K383-S416 WeakPolarHBondContact CB-OG 3.31Å; K383-S416 WeakPolarHBondContact CG-OG 3.32Å; K383-S416 PolarHBondContact O-OG 3.3Å; K383-S416 VanDerWaalsContact O-OG 3.05Å | ||
| 384 | I | 68.6 | Low | 65.1 | Low | 34 Ų | 34 | 72.3 Ų | 72.3 | 17% | 0.174 | 39% | 0.39 | C | S | . | . | B | Isolated β-bridge | trans | -77.2 | 139.2 | -176.4 | -48.1 | -171.8 | 0 | 0 | 0 | 109.1 | E382 V388 W389 S416 | E382-I384 VanDerWaalsContact C-N 3.26Å; E382-I384 WeakPolarHBondContact O-CG1 3.23Å; E382-I384 PolarHBondContact O-N 2.94Å; I384-V388 HydrophobicContact CG2-CB 3.64Å; I384-V388 HydrophobicContact CG2-CG1 3.68Å; I384-V388 HydrophobicContact CG2-CG2 4.26Å; I384-W389 HydrophobicContact CD1-CZ2 4.19Å; I384-S416 PolarHBondContact O-N 2.95Å |
| 385 | D | 78.3 | Confident | 67.1 | Low | 92 Ų | 92 | 65.3 Ų | 65.3 | 49% | 0.492 | 36% | 0.36 | S | S | . | . | trans | -55.4 | 142.1 | 174.1 | -169.1 | 2.7 | 0 | 0 | 0 | 112 | D387 V388 W389 | D385-D387 PolarHBondContact O-N 2.87Å; D385-D387 PolarHBondContact OD1-N 2.96Å; D385-V388 HydrophobicContact CB-CG2 4.31Å; D385-V388 PolarHBondContact O-N 2.84Å; D385-W389 PolarHBondContact O-N 3.35Å | ||
| 386 | G | 79.8 | Confident | 69.4 | Low | 10 Ų | 10 | 60.6 Ų | 60.6 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.3 | -33.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W389 H390 | G386-W389 PolarHBondContact O-N 3.41Å; G386-H390 WeakPolarHBondContact O-CB 3.39Å; G386-H390 PolarHBondContact O-N 3.26Å |
| 387 | D | 83.8 | Confident | 71.8 | Confident | 42 Ų | 42 | 59.8 Ų | 59.8 | 23% | 0.225 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66 | -37.7 | 178 | -80.4 | -8.7 | 0 | 0 | 0 | 113.2 | D385 H390 K391 P421 P422 | D385-D387 PolarHBondContact O-N 2.87Å; D385-D387 PolarHBondContact OD1-N 2.96Å; D387-H390 WeakPolarHBondContact O-CB 3.3Å; D387-H390 PolarHBondContact O-N 3.1Å; D387-K391 WeakPolarHBondContact O-CG 3.27Å; D387-K391 PolarHBondContact O-N 2.79Å; D387-K391 VanDerWaalsContact O-N 3.1Å; D387-P421 WeakPolarHBondContact OD1-CB 3.49Å; D387-P422 WeakPolarHBondContact OD2-CD 3.47Å; D387-P422 VanDerWaalsContact OD2-CG 3.28Å; D387-P422 WeakPolarHBondContact OD2-CG 3.42Å |
| 388 | V | 88 | Confident | 74.4 | Confident | 49 Ų | 49 | 56.9 Ų | 56.9 | 30% | 0.297 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.3 | -42.3 | 175.2 | 176.7 | 0 | 0 | 0 | 0 | 109.5 | I384 D385 H390 K391 R392 | I384-V388 HydrophobicContact CG2-CB 3.64Å; I384-V388 HydrophobicContact CG2-CG1 3.68Å; I384-V388 HydrophobicContact CG2-CG2 4.26Å; D385-V388 HydrophobicContact CB-CG2 4.31Å; D385-V388 PolarHBondContact O-N 2.84Å; V388-H390 VanDerWaalsContact C-N 3.34Å; V388-H390 PolarHBondContact O-N 3Å; V388-K391 PolarHBondContact O-N 2.92Å; V388-R392 HydrophobicContact CG1-CG 4.31Å; V388-R392 WeakPolarHBondContact O-CB 3.47Å; V388-R392 VanDerWaalsContact O-CG 3.28Å; V388-R392 WeakPolarHBondContact O-CG 3.27Å; V388-R392 PolarHBondContact O-N 2.79Å |
| 389 | W | 90.3 | Very high | 77 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 1% | 0.011 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.8 | -39.4 | 174.3 | -82.3 | 120.4 | 0 | 0 | 0 | 112.6 | I384 D385 G386 K391 R392 F393 G412 L413 V414 V612 | I384-W389 HydrophobicContact CD1-CZ2 4.19Å; D385-W389 PolarHBondContact O-N 3.35Å; G386-W389 PolarHBondContact O-N 3.41Å; W389-K391 VanDerWaalsContact C-N 3.31Å; W389-K391 PolarHBondContact O-N 3.17Å; W389-R392 HydrophobicContact CE3-CB 4.11Å; W389-R392 PolarHBondContact O-N 3.18Å; W389-F393 HydrophobicContact CD2-CE2 4.47Å; W389-F393 AromaticContact CE3-CD2 3.78Å; W389-F393 HydrophobicContact CE3-CD2 3.78Å; W389-F393 AromaticContact CE3-CE2 3.54Å; W389-F393 HydrophobicContact CE3-CE2 3.54Å; W389-F393 HydrophobicContact CZ3-CD2 4.39Å; W389-F393 AromaticContact CZ3-CE2 3.83Å; W389-F393 HydrophobicContact CZ3-CE2 3.83Å; W389-F393 WeakPolarHBondContact O-CB 3.27Å; W389-F393 WeakPolarHBondContact O-CD2 3.47Å; W389-F393 PolarHBondContact O-N 3.35Å; W389-G412 WeakPolarHBondContact CH2-O 3.3Å; W389-G412 WeakPolarHBondContact CZ2-O 3.45Å; W389-L413 HydrophobicContact CB-CD1 4.44Å; W389-L413 HydrophobicContact CD2-CD1 3.59Å; W389-L413 HydrophobicContact CE3-CD1 3.97Å; W389-L413 HydrophobicContact CG-CD1 3.83Å; W389-L413 HydrophobicContact CZ2-CD1 4.32Å; W389-L413 HydrophobicContact CZ3-CD1 4.46Å; W389-V414 PolarHBondContact NE1-O 3.3Å; W389-V612 HydrophobicContact CH2-CG2 4.41Å; W389-V612 HydrophobicContact CZ3-CG2 4.44Å |
| 390 | H | 92.2 | Very high | 79.6 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.028 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54.9 | -47.6 | 174 | 176 | 64.8 | 0 | 0 | 0 | 111.5 | G386 D387 V388 F393 H395 V396 N398 L401 C427 | G386-H390 WeakPolarHBondContact O-CB 3.39Å; G386-H390 PolarHBondContact O-N 3.26Å; D387-H390 WeakPolarHBondContact O-CB 3.3Å; D387-H390 PolarHBondContact O-N 3.1Å; V388-H390 VanDerWaalsContact C-N 3.34Å; V388-H390 PolarHBondContact O-N 3Å; H390-F393 CarbonylContact O-C 3.56Å; H390-F393 PolarHBondContact O-N 2.99Å; H390-H395 AromaticContact CD2-ND1 3.72Å; H390-H395 VanDerWaalsContact CE1-CA 3.41Å; H390-H395 WeakPolarHBondContact CE1-CA 3.33Å; H390-H395 PolarHBondContact CE1-O 2.9Å; H390-H395 AromaticContact NE2-CG 3.85Å; H390-H395 AromaticContact NE2-ND1 3.17Å; H390-H395 PolarHBondContact NE2-ND1 3.35Å; H390-H395 VanDerWaalsContact NE2-ND1 3.17Å; H390-H395 VanDerWaalsContact O-CA 3.31Å; H390-H395 WeakPolarHBondContact O-CA 3.5Å; H390-H395 PolarHBondContact O-N 3.44Å; H390-V396 PolarHBondContact ND1-O 2.95Å; H390-N398 WeakPolarHBondContact CB-OD1 3.41Å; H390-N398 PolarHBondContact ND1-OD1 2.95Å; H390-N398 VanDerWaalsContact ND1-OD1 3.09Å; H390-L401 HydrophobicContact CB-CD1 4.47Å; H390-C427 PolarHBondContact CE1-SG 3.42Å; H390-C427 PolarHBondContact NE2-SG 3.45Å |
| 391 | K | 92.6 | Very high | 82.3 | Confident | 95 Ų | 95 | 50 Ų | 50 | 41% | 0.413 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -69 | -42 | 176.8 | -70.8 | 176.6 | -178.9 | 176.9 | 0 | 113.2 | D387 V388 W389 F393 C394 T617 | D387-K391 WeakPolarHBondContact O-CG 3.27Å; D387-K391 PolarHBondContact O-N 2.79Å; D387-K391 VanDerWaalsContact O-N 3.1Å; V388-K391 PolarHBondContact O-N 2.92Å; W389-K391 VanDerWaalsContact C-N 3.31Å; W389-K391 PolarHBondContact O-N 3.17Å; K391-F393 VanDerWaalsContact C-N 3.26Å; K391-F393 PolarHBondContact O-N 3.23Å; K391-C394 PolarHBondContact O-N 3.16Å; K391-T617 HydrophobicContact CB-CG2 3.84Å |
| 392 | R | 94.4 | Very high | 84.3 | Confident | 27 Ų | 27 | 51 Ų | 51 | 10% | 0.102 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -31.6 | 174.6 | -74.3 | -179 | 172.4 | 174.2 | 5.7 | 113.3 | V388 W389 C394 L615 E677 | V388-R392 HydrophobicContact CG1-CG 4.31Å; V388-R392 WeakPolarHBondContact O-CB 3.47Å; V388-R392 VanDerWaalsContact O-CG 3.28Å; V388-R392 WeakPolarHBondContact O-CG 3.27Å; V388-R392 PolarHBondContact O-N 2.79Å; W389-R392 HydrophobicContact CE3-CB 4.11Å; W389-R392 PolarHBondContact O-N 3.18Å; R392-C394 PolarHBondContact O-N 3.32Å; R392-L615 HydrophobicContact CB-CB 4.33Å; R392-L615 WeakPolarHBondContact CD-O 3.43Å; R392-E677 WeakPolarHBondContact CG-OE2 3.35Å; R392-E677 IonicContact CZ-OE1 2.75Å; R392-E677 VanDerWaalsContact CZ-OE1 3.22Å; R392-E677 IonicContact NE-OE1 2.89Å; R392-E677 PolarHBondContact NE-OE1 3.2Å; R392-E677 IonicContact NE-OE2 3.63Å; R392-E677 PolarHBondContact NE-OE2 2.99Å; R392-E677 IonicContact NH2-OE1 3.72Å; R392-E677 PolarHBondContact NH2-OE1 3.46Å |
| 393 | F | 94.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 27.7 | 171.5 | -83.5 | -95.1 | 0 | 0 | 0 | 112.5 | W389 H390 K391 H395 V396 L401 L413 V588 V592 V612 L615 | W389-F393 HydrophobicContact CD2-CE2 4.47Å; W389-F393 AromaticContact CE3-CD2 3.78Å; W389-F393 HydrophobicContact CE3-CD2 3.78Å; W389-F393 AromaticContact CE3-CE2 3.54Å; W389-F393 HydrophobicContact CE3-CE2 3.54Å; W389-F393 HydrophobicContact CZ3-CD2 4.39Å; W389-F393 AromaticContact CZ3-CE2 3.83Å; W389-F393 HydrophobicContact CZ3-CE2 3.83Å; W389-F393 WeakPolarHBondContact O-CB 3.27Å; W389-F393 WeakPolarHBondContact O-CD2 3.47Å; W389-F393 PolarHBondContact O-N 3.35Å; H390-F393 CarbonylContact O-C 3.56Å; H390-F393 PolarHBondContact O-N 2.99Å; K391-F393 VanDerWaalsContact C-N 3.26Å; K391-F393 PolarHBondContact O-N 3.23Å; F393-H395 PolarHBondContact O-N 3.47Å; F393-H395 VanDerWaalsContact O-N 3.08Å; F393-V396 HydrophobicContact CB-CB 4.2Å; F393-V396 WeakPolarHBondContact O-CG2 3.1Å; F393-V396 PolarHBondContact O-N 3.44Å; F393-L401 HydrophobicContact CB-CD1 4.15Å; F393-L401 HydrophobicContact CB-CD2 3.76Å; F393-L401 HydrophobicContact CD1-CD2 3.63Å; F393-L401 HydrophobicContact CD2-CD2 3.73Å; F393-L401 HydrophobicContact CE1-CD2 4.11Å; F393-L401 HydrophobicContact CE2-CD2 4.18Å; F393-L401 HydrophobicContact CG-CD2 3.43Å; F393-L401 VanDerWaalsContact CG-CD2 3.43Å; F393-L401 HydrophobicContact CZ-CD2 4.35Å; F393-L413 HydrophobicContact CE2-CD1 3.99Å; F393-V588 HydrophobicContact CB-CG1 3.85Å; F393-V588 HydrophobicContact CD1-CG1 3.39Å; F393-V588 HydrophobicContact CE1-CG1 4.28Å; F393-V588 HydrophobicContact CG-CG1 3.95Å; F393-V588 WeakPolarHBondContact O-CG1 3.47Å; F393-V592 HydrophobicContact CD1-CB 4.43Å; F393-V592 HydrophobicContact CE1-CB 4.2Å; F393-V592 HydrophobicContact CE1-CG2 4.38Å; F393-V612 HydrophobicContact CE1-CG1 4.5Å; F393-V612 HydrophobicContact CE2-CG2 4.42Å; F393-V612 HydrophobicContact CZ-CB 4Å; F393-V612 HydrophobicContact CZ-CG1 3.97Å; F393-V612 HydrophobicContact CZ-CG2 4.04Å; F393-L615 HydrophobicContact CD1-CD1 4.01Å; F393-L615 HydrophobicContact CD2-CD1 4.05Å; F393-L615 HydrophobicContact CE1-CD1 3.68Å; F393-L615 HydrophobicContact CE2-CD1 3.74Å; F393-L615 HydrophobicContact CG-CD1 4.17Å; F393-L615 HydrophobicContact CZ-CD1 3.55Å |
| 394 | C | 94.7 | Very high | 87.9 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 36.7 | 172.4 | -65.4 | 0 | 0 | 0 | 0 | 113 | K391 R392 V396 L563 M567 V588 | K391-C394 PolarHBondContact O-N 3.16Å; R392-C394 PolarHBondContact O-N 3.32Å; C394-V396 PolarHBondContact O-N 3.25Å; C394-L563 WeakPolarHBondContact O-CD2 3.36Å; C394-M567 HydrophobicContact CB-CE 4.21Å; C394-M567 HydrophobicContact CB-CG 3.92Å; C394-M567 HydrophobicContact CB-SD 3.55Å; C394-M567 VanDerWaalsContact CB-SD 3.55Å; C394-V588 HydrophobicContact CB-CG2 4.49Å |
| 395 | H | 93.3 | Very high | 88.7 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 23.3 | -177.9 | -57.2 | -87.6 | 0 | 0 | 0 | 115.5 | H390 F393 D426 K431 S570 | H390-H395 AromaticContact CD2-ND1 3.72Å; H390-H395 VanDerWaalsContact CE1-CA 3.41Å; H390-H395 WeakPolarHBondContact CE1-CA 3.33Å; H390-H395 PolarHBondContact CE1-O 2.9Å; H390-H395 AromaticContact NE2-CG 3.85Å; H390-H395 AromaticContact NE2-ND1 3.17Å; H390-H395 PolarHBondContact NE2-ND1 3.35Å; H390-H395 VanDerWaalsContact NE2-ND1 3.17Å; H390-H395 VanDerWaalsContact O-CA 3.31Å; H390-H395 WeakPolarHBondContact O-CA 3.5Å; H390-H395 PolarHBondContact O-N 3.44Å; F393-H395 PolarHBondContact O-N 3.47Å; F393-H395 VanDerWaalsContact O-N 3.08Å; H395-D426 IonicContact CE1-OD2 3.7Å; H395-K431 PolarHBondContact O-NZ 3.24Å; H395-S570 VanDerWaalsContact NE2-CB 3.28Å; H395-S570 WeakPolarHBondContact NE2-CB 3.5Å; H395-S570 PolarHBondContact NE2-OG 3.48Å |
| 396 | V | 92.1 | Very high | 88.9 | Confident | 14 Ų | 14 | 41 Ų | 41 | 9% | 0.085 | 20% | 0.2 | C | C | . | . | trans | -55 | 145.7 | 169.2 | 169 | 0 | 0 | 0 | 0 | 110.6 | H390 F393 C394 N398 V400 L401 L563 V588 V592 | H390-V396 PolarHBondContact ND1-O 2.95Å; F393-V396 HydrophobicContact CB-CB 4.2Å; F393-V396 WeakPolarHBondContact O-CG2 3.1Å; F393-V396 PolarHBondContact O-N 3.44Å; C394-V396 PolarHBondContact O-N 3.25Å; V396-N398 PolarHBondContact O-N 3.35Å; V396-V400 HydrophobicContact CG1-CB 4.26Å; V396-V400 HydrophobicContact CG1-CG1 4.19Å; V396-L401 HydrophobicContact CB-CD2 4.41Å; V396-L401 HydrophobicContact CG1-CD2 4.18Å; V396-L401 HydrophobicContact CG1-CG 4.33Å; V396-L563 HydrophobicContact CG2-CD1 4.42Å; V396-L563 HydrophobicContact CG2-CD2 4.2Å; V396-V588 HydrophobicContact CG2-CG1 4.28Å; V396-V592 HydrophobicContact CG1-CG1 4.42Å; V396-V592 HydrophobicContact CG1-CG2 4.42Å | ||
| 397 | S | 88.3 | Confident | 89 | Confident | 54 Ų | 54 | 46.2 Ų | 46.2 | 38% | 0.378 | 22% | 0.222 | S | C | . | . | trans | -56.8 | 133.9 | -175.9 | 63 | 0 | 0 | 0 | 0 | 112.2 | K399 V400 L401 | S397-K399 VanDerWaalsContact C-N 3.27Å; S397-K399 PolarHBondContact O-N 3.09Å; S397-V400 WeakPolarHBondContact O-CB 3.46Å; S397-V400 PolarHBondContact O-N 3.27Å; S397-V400 WeakPolarHBondContact OG-CB 3.33Å; S397-V400 WeakPolarHBondContact OG-CG2 3.48Å; S397-L401 PolarHBondContact O-N 3.37Å | ||
| 398 | N | 87.4 | Confident | 88.9 | Confident | 34 Ų | 34 | 49 Ų | 49 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.5 | -37.4 | -178.1 | -64.5 | -38.3 | 0 | 0 | 0 | 113 | H390 V396 V400 L401 E402 P421 | H390-N398 WeakPolarHBondContact CB-OD1 3.41Å; H390-N398 PolarHBondContact ND1-OD1 2.95Å; H390-N398 VanDerWaalsContact ND1-OD1 3.09Å; V396-N398 PolarHBondContact O-N 3.35Å; N398-V400 PolarHBondContact O-N 3.13Å; N398-L401 PolarHBondContact O-N 3.24Å; N398-E402 WeakPolarHBondContact O-CB 3.46Å; N398-E402 WeakPolarHBondContact O-CG 3.24Å; N398-E402 PolarHBondContact O-N 3.09Å; N398-P421 HydrophobicContact CB-CG 3.65Å; N398-P421 WeakPolarHBondContact ND2-CG 3.38Å |
| 399 | K | 86.4 | Confident | 88.7 | Confident | 171 Ų | 171 | 48 Ų | 48 | 74% | 0.743 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -53.2 | -39.2 | 173 | -66.5 | -176.8 | 178.7 | 178.7 | 0 | 113.4 | S397 K403 | S397-K399 VanDerWaalsContact C-N 3.27Å; S397-K399 PolarHBondContact O-N 3.09Å; K399-K403 WeakPolarHBondContact O-CB 3.48Å; K399-K403 PolarHBondContact O-N 3.47Å; K399-K403 VanDerWaalsContact O-N 3.15Å |
| 400 | V | 89.3 | Confident | 88.6 | Confident | 43 Ų | 43 | 48.4 Ų | 48.4 | 26% | 0.261 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -77 | -37.2 | 179.8 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | V396 S397 N398 K403 T404 V592 L593 | V396-V400 HydrophobicContact CG1-CB 4.26Å; V396-V400 HydrophobicContact CG1-CG1 4.19Å; S397-V400 WeakPolarHBondContact O-CB 3.46Å; S397-V400 PolarHBondContact O-N 3.27Å; S397-V400 WeakPolarHBondContact OG-CB 3.33Å; S397-V400 WeakPolarHBondContact OG-CG2 3.48Å; N398-V400 PolarHBondContact O-N 3.13Å; V400-K403 PolarHBondContact O-N 3.02Å; V400-T404 WeakPolarHBondContact O-CB 3.29Å; V400-T404 PolarHBondContact O-N 3.1Å; V400-T404 PolarHBondContact O-OG1 3.32Å; V400-V592 HydrophobicContact CG1-CG1 4.18Å; V400-V592 HydrophobicContact CG1-CG2 3.56Å; V400-L593 WeakPolarHBondContact CG1-O 3.29Å |
| 401 | L | 89.6 | Confident | 88.3 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 175.3 | -63 | 178.5 | 0 | 0 | 0 | 111.7 | H390 F393 V396 S397 N398 K403 T404 A405 I415 V592 | H390-L401 HydrophobicContact CB-CD1 4.47Å; F393-L401 HydrophobicContact CB-CD1 4.15Å; F393-L401 HydrophobicContact CB-CD2 3.76Å; F393-L401 HydrophobicContact CD1-CD2 3.63Å; F393-L401 HydrophobicContact CD2-CD2 3.73Å; F393-L401 HydrophobicContact CE1-CD2 4.11Å; F393-L401 HydrophobicContact CE2-CD2 4.18Å; F393-L401 HydrophobicContact CG-CD2 3.43Å; F393-L401 VanDerWaalsContact CG-CD2 3.43Å; F393-L401 HydrophobicContact CZ-CD2 4.35Å; V396-L401 HydrophobicContact CB-CD2 4.41Å; V396-L401 HydrophobicContact CG1-CD2 4.18Å; V396-L401 HydrophobicContact CG1-CG 4.33Å; S397-L401 PolarHBondContact O-N 3.37Å; N398-L401 PolarHBondContact O-N 3.24Å; L401-K403 VanDerWaalsContact C-N 3.33Å; L401-K403 PolarHBondContact O-N 3.17Å; L401-T404 WeakPolarHBondContact O-CB 3.49Å; L401-T404 PolarHBondContact O-N 3.47Å; L401-T404 VanDerWaalsContact O-N 3.1Å; L401-A405 WeakPolarHBondContact O-CB 3.38Å; L401-A405 PolarHBondContact O-N 3.42Å; L401-I415 HydrophobicContact CB-CD1 4.19Å; L401-V592 HydrophobicContact CD2-CG2 3.94Å |
| 402 | E | 86.5 | Confident | 87.9 | Confident | 59 Ų | 59 | 46.7 Ų | 46.7 | 28% | 0.276 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.4 | -45.7 | 174.3 | -73.5 | 169.6 | -151.9 | 0 | 0 | 111.6 | N398 T404 A405 R406 | N398-E402 WeakPolarHBondContact O-CB 3.46Å; N398-E402 WeakPolarHBondContact O-CG 3.24Å; N398-E402 PolarHBondContact O-N 3.09Å; E402-T404 VanDerWaalsContact C-N 3.32Å; E402-T404 PolarHBondContact O-N 2.87Å; E402-A405 PolarHBondContact O-N 3.03Å; E402-R406 WeakPolarHBondContact O-CB 3.33Å; E402-R406 PolarHBondContact O-N 3.22Å |
| 403 | K | 87 | Confident | 87.5 | Confident | 65 Ų | 65 | 46 Ų | 46 | 28% | 0.283 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 175.8 | -173.1 | 174 | 174.6 | 174.9 | 0 | 111.1 | K399 V400 L401 R406 H407 L593 N598 | K399-K403 WeakPolarHBondContact O-CB 3.48Å; K399-K403 PolarHBondContact O-N 3.47Å; K399-K403 VanDerWaalsContact O-N 3.15Å; V400-K403 PolarHBondContact O-N 3.02Å; L401-K403 VanDerWaalsContact C-N 3.33Å; L401-K403 PolarHBondContact O-N 3.17Å; K403-R406 PolarHBondContact O-N 3.1Å; K403-H407 PolarHBondContact O-CD2 2.94Å; K403-H407 PolarHBondContact O-N 3.43Å; K403-H407 VanDerWaalsContact O-N 3.11Å; K403-L593 HydrophobicContact CG-CD1 3.99Å; K403-N598 VanDerWaalsContact CE-OD1 3.28Å; K403-N598 WeakPolarHBondContact CE-OD1 3.47Å; K403-N598 PolarHBondContact NZ-OD1 3.28Å |
| 404 | T | 88.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 178.3 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | V400 L401 E402 S408 A409 V410 L413 V592 L593 | V400-T404 WeakPolarHBondContact O-CB 3.29Å; V400-T404 PolarHBondContact O-N 3.1Å; V400-T404 PolarHBondContact O-OG1 3.32Å; L401-T404 WeakPolarHBondContact O-CB 3.49Å; L401-T404 PolarHBondContact O-N 3.47Å; L401-T404 VanDerWaalsContact O-N 3.1Å; E402-T404 VanDerWaalsContact C-N 3.32Å; E402-T404 PolarHBondContact O-N 2.87Å; T404-S408 PolarHBondContact O-N 3.29Å; T404-A409 HydrophobicContact CG2-CB 4.17Å; T404-A409 PolarHBondContact O-N 2.87Å; T404-A409 VanDerWaalsContact O-N 3.14Å; T404-V410 HydrophobicContact CG2-CG1 4.28Å; T404-V410 HydrophobicContact CG2-CG2 3.89Å; T404-L413 HydrophobicContact CG2-CD2 3.75Å; T404-V592 HydrophobicContact CG2-CG2 4.24Å; T404-V592 WeakPolarHBondContact OG1-CG2 3.31Å; T404-L593 HydrophobicContact CG2-CG 4.17Å; T404-L593 WeakPolarHBondContact OG1-CB 3.45Å; T404-L593 PolarHBondContact OG1-N 3.31Å; T404-L593 VanDerWaalsContact OG1-N 3.11Å |
| 405 | A | 86.2 | Confident | 86 | Confident | 21 Ų | 21 | 50.3 Ų | 50.3 | 17% | 0.174 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.4 | -47.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L401 E402 H407 S408 L413 I415 | L401-A405 WeakPolarHBondContact O-CB 3.38Å; L401-A405 PolarHBondContact O-N 3.42Å; E402-A405 PolarHBondContact O-N 3.03Å; A405-H407 VanDerWaalsContact C-N 3.3Å; A405-H407 PolarHBondContact O-N 2.86Å; A405-S408 PolarHBondContact O-N 3.48Å; A405-L413 HydrophobicContact CB-CD2 3.95Å; A405-L413 HydrophobicContact CB-CG 3.93Å; A405-I415 HydrophobicContact CB-CD1 3.85Å; A405-I415 HydrophobicContact CB-CG1 4.12Å |
| 406 | R | 82.7 | Confident | 84.8 | Confident | 163 Ų | 163 | 52 Ų | 52 | 62% | 0.615 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -59.1 | -38.2 | -179.7 | -172.5 | -178 | -64.1 | 112.2 | 2 | 112.8 | E402 K403 S408 | E402-R406 WeakPolarHBondContact O-CB 3.33Å; E402-R406 PolarHBondContact O-N 3.22Å; K403-R406 PolarHBondContact O-N 3.1Å; R406-S408 VanDerWaalsContact C-N 3.28Å |
| 407 | H | 81.8 | Confident | 83 | Confident | 119 Ų | 119 | 54.2 Ų | 54.2 | 55% | 0.551 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -0.8 | 176.7 | -73.8 | -68.6 | 0 | 0 | 0 | 113.9 | K403 A405 A409 L593 | K403-H407 PolarHBondContact O-CD2 2.94Å; K403-H407 PolarHBondContact O-N 3.43Å; K403-H407 VanDerWaalsContact O-N 3.11Å; A405-H407 VanDerWaalsContact C-N 3.3Å; A405-H407 PolarHBondContact O-N 2.86Å; H407-A409 HydrophobicContact CB-CB 4.37Å; H407-A409 PolarHBondContact O-N 3.11Å; H407-A409 VanDerWaalsContact O-N 3.11Å; H407-L593 HydrophobicContact CB-CD1 4.14Å |
| 408 | S | 81.6 | Confident | 81.1 | Confident | 101 Ų | 101 | 59.2 Ų | 59.2 | 71% | 0.706 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 39.3 | -171.6 | -52.9 | 0 | 0 | 0 | 0 | 112.1 | T404 A405 R406 V410 | T404-S408 PolarHBondContact O-N 3.29Å; A405-S408 PolarHBondContact O-N 3.48Å; R406-S408 VanDerWaalsContact C-N 3.28Å; S408-V410 PolarHBondContact O-N 2.93Å |
| 409 | A | 83.4 | Confident | 79.2 | Confident | 28 Ų | 28 | 63.3 Ų | 63.3 | 23% | 0.231 | 36% | 0.355 | C | S | . | . | trans | -71.9 | -20.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T404 H407 L593 V600 | T404-A409 HydrophobicContact CG2-CB 4.17Å; T404-A409 PolarHBondContact O-N 2.87Å; T404-A409 VanDerWaalsContact O-N 3.14Å; H407-A409 HydrophobicContact CB-CB 4.37Å; H407-A409 PolarHBondContact O-N 3.11Å; H407-A409 VanDerWaalsContact O-N 3.11Å; A409-L593 HydrophobicContact CB-CD1 4.05Å; A409-L593 HydrophobicContact CB-CD2 3.51Å; A409-L593 HydrophobicContact CB-CG 3.71Å; A409-V600 HydrophobicContact CB-CG2 3.82Å | ||
| 410 | V | 87.2 | Confident | 77.8 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -132.2 | 151.1 | 174.7 | -59.5 | 0 | 0 | 0 | 0 | 110.1 | T404 S408 L413 V600 I610 V612 | T404-V410 HydrophobicContact CG2-CG1 4.28Å; T404-V410 HydrophobicContact CG2-CG2 3.89Å; S408-V410 PolarHBondContact O-N 2.93Å; V410-L413 HydrophobicContact CG2-CB 3.66Å; V410-L413 HydrophobicContact CG2-CD2 4.07Å; V410-V600 HydrophobicContact CG1-CB 4.49Å; V410-V600 HydrophobicContact CG1-CG1 4.15Å; V410-V600 HydrophobicContact CG1-CG2 3.68Å; V410-I610 HydrophobicContact CB-CG1 4.29Å; V410-I610 HydrophobicContact CG1-CD1 3.81Å; V410-I610 HydrophobicContact CG1-CG1 3.73Å; V410-V612 HydrophobicContact CB-CG1 4.04Å; V410-V612 HydrophobicContact CB-CG2 4.32Å; V410-V612 HydrophobicContact CG1-CG1 4.27Å; V410-V612 HydrophobicContact CG2-CB 4.49Å; V410-V612 HydrophobicContact CG2-CG1 4Å; V410-V612 HydrophobicContact CG2-CG2 3.64Å |
| 411 | S | 86.9 | Confident | 76.6 | Confident | 58 Ų | 58 | 62.6 Ų | 62.6 | 41% | 0.406 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -80.3 | 136.7 | 174.7 | -179 | 0 | 0 | 0 | 0 | 111.4 | I610 S611 V612 | S411-I610 PolarHBondContact N-O 3.39Å; S411-S611 CarbonylContact O-C 3.6Å; S411-S611 WeakPolarHBondContact O-CA 3.45Å; S411-V612 WeakPolarHBondContact O-CG2 3.13Å; S411-V612 PolarHBondContact O-N 3.03Å |
| 412 | G | 83.8 | Confident | 75.5 | Confident | 8 Ų | 8 | 66.6 Ų | 66.6 | 8% | 0.082 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | 1.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | W389 | W389-G412 WeakPolarHBondContact CH2-O 3.3Å; W389-G412 WeakPolarHBondContact CZ2-O 3.45Å |
| 413 | L | 86.5 | Confident | 75 | Confident | 13 Ų | 13 | 67.8 Ų | 67.8 | 7% | 0.068 | 40% | 0.4 | C | S | . | . | trans | -91.4 | 106.3 | 169.8 | -179.2 | 60.4 | 0 | 0 | 0 | 109.6 | W389 F393 T404 A405 V410 I415 V612 | W389-L413 HydrophobicContact CB-CD1 4.44Å; W389-L413 HydrophobicContact CD2-CD1 3.59Å; W389-L413 HydrophobicContact CE3-CD1 3.97Å; W389-L413 HydrophobicContact CG-CD1 3.83Å; W389-L413 HydrophobicContact CZ2-CD1 4.32Å; W389-L413 HydrophobicContact CZ3-CD1 4.46Å; F393-L413 HydrophobicContact CE2-CD1 3.99Å; T404-L413 HydrophobicContact CG2-CD2 3.75Å; A405-L413 HydrophobicContact CB-CD2 3.95Å; A405-L413 HydrophobicContact CB-CG 3.93Å; V410-L413 HydrophobicContact CG2-CB 3.66Å; V410-L413 HydrophobicContact CG2-CD2 4.07Å; L413-I415 HydrophobicContact CD1-CD1 4.34Å; L413-I415 HydrophobicContact CD1-CG1 4.07Å; L413-V612 HydrophobicContact CB-CG2 3.86Å | ||
| 414 | V | 80.1 | Confident | 75 | Confident | 46 Ų | 46 | 65.9 Ų | 65.9 | 28% | 0.279 | 39% | 0.394 | S | S | . | . | trans | -128.8 | 118.9 | 173.5 | -176.4 | 0 | 0 | 0 | 0 | 107 | V381 K383 W389 | V381-V414 HydrophobicContact CB-CG2 4.17Å; V381-V414 HydrophobicContact CG1-CB 4.39Å; V381-V414 HydrophobicContact CG1-CG2 4.24Å; V381-V414 HydrophobicContact CG2-CG2 4.48Å; K383-V414 HydrophobicContact CG-CG1 4.34Å; W389-V414 PolarHBondContact NE1-O 3.3Å | ||
| 415 | I | 78.1 | Confident | 74.9 | Confident | 44 Ų | 44 | 70.4 Ų | 70.4 | 23% | 0.226 | 42% | 0.422 | C | S | . | . | B | Isolated β-bridge | trans | -106.8 | 131.4 | 179.9 | -58.4 | 174.3 | 0 | 0 | 0 | 108.1 | L401 A405 L413 | L401-I415 HydrophobicContact CB-CD1 4.19Å; A405-I415 HydrophobicContact CB-CD1 3.85Å; A405-I415 HydrophobicContact CB-CG1 4.12Å; L413-I415 HydrophobicContact CD1-CD1 4.34Å; L413-I415 HydrophobicContact CD1-CG1 4.07Å |
| 416 | S | 67.6 | Low | 75 | Confident | 38 Ų | 38 | 70.9 Ų | 70.9 | 27% | 0.266 | 42% | 0.422 | S | S | . | . | trans | -79.2 | 131.5 | 174.6 | -61 | 0 | 0 | 0 | 0 | 112 | K383 I384 | K383-S416 WeakPolarHBondContact CA-OG 3.46Å; K383-S416 WeakPolarHBondContact CB-OG 3.31Å; K383-S416 WeakPolarHBondContact CG-OG 3.32Å; K383-S416 PolarHBondContact O-OG 3.3Å; K383-S416 VanDerWaalsContact O-OG 3.05Å; I384-S416 PolarHBondContact O-N 2.95Å | ||
| 417 | G | 54.1 | Low | 75.4 | Confident | 62 Ų | 62 | 64.1 Ų | 64.1 | 64% | 0.639 | 40% | 0.399 | S | S | * | . | S | Bend | trans | 69.8 | 156.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 418 | N | 47.7 | Very low | 75.6 | Confident | 158 Ų | 158 | 63.2 Ų | 63.2 | 85% | 0.845 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -93.7 | 82.9 | 163.9 | -98 | -1 | 0 | 0 | 0 | 107.4 | ||
| 419 | V | 48.9 | Very low | 75.7 | Confident | 121 Ų | 121 | 63.1 Ų | 63.1 | 73% | 0.733 | 39% | 0.392 | S | S | * | . | trans | -126.7 | 117.8 | 162.9 | -177.2 | 0 | 0 | 0 | 0 | 103.8 | P421 | V419-P421 WeakPolarHBondContact O-CD 3.22Š| ||
| 420 | Q | 57.2 | Low | 75.4 | Confident | 171 Ų | 171 | 62 Ų | 62 | 80% | 0.799 | 38% | 0.383 | S | S | * | . | trans | -52.2 | 114.7 | 168.6 | -91.2 | 156.6 | -44.4 | 0 | 0 | 106.6 | ||||
| 421 | P | 63.7 | Low | 75.2 | Confident | 28 Ų | 28 | 64.1 Ų | 64.1 | 18% | 0.182 | 39% | 0.392 | C | S | . | . | trans | -54.5 | 144.7 | 179.2 | 19.1 | -32 | 0 | 0 | 0 | 109.4 | D387 N398 V419 | D387-P421 WeakPolarHBondContact OD1-CB 3.49Å; N398-P421 HydrophobicContact CB-CG 3.65Å; N398-P421 WeakPolarHBondContact ND2-CG 3.38Å; V419-P421 WeakPolarHBondContact O-CD 3.22Å | ||
| 422 | P | 66.9 | Low | 74.6 | Confident | 85 Ų | 85 | 66.5 Ų | 66.5 | 55% | 0.552 | 41% | 0.407 | S | S | * | . | trans | -51.5 | 149.9 | 179.9 | 21.3 | -32.9 | 0 | 0 | 0 | 111 | D387 C424 | D387-P422 WeakPolarHBondContact OD2-CD 3.47Å; D387-P422 VanDerWaalsContact OD2-CG 3.28Å; D387-P422 WeakPolarHBondContact OD2-CG 3.42Å; P422-C424 PolarHBondContact O-N 2.81Å | ||
| 423 | A | 74.3 | Confident | 73.8 | Confident | 84 Ų | 84 | 70.3 Ų | 70.3 | 69% | 0.694 | 43% | 0.429 | S | S | * | . | trans | -58.6 | 111.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | T425 I428 | A423-T425 PolarHBondContact O-N 3.14Å; A423-I428 HydrophobicContact CB-CD1 4.17Å | ||
| 424 | C | 87.4 | Confident | 71.9 | Confident | 25 Ų | 25 | 77.7 Ų | 77.7 | 17% | 0.169 | 46% | 0.463 | C | S | . | . | trans | -73 | 111.9 | -178.7 | 174.2 | 0 | 0 | 0 | 0 | 109.6 | P422 D426 C427 I428 | P422-C424 PolarHBondContact O-N 2.81Å; C424-D426 VanDerWaalsContact C-N 3.26Å; C424-D426 PolarHBondContact O-N 3.28Å; C424-C427 HydrophobicContact CB-CB 3.97Å; C424-C427 WeakPolarHBondContact O-CA 3.41Å; C424-C427 VanDerWaalsContact O-CB 3.3Å; C424-C427 WeakPolarHBondContact O-CB 3.43Å; C424-C427 PolarHBondContact O-N 3.49Å; C424-I428 WeakPolarHBondContact O-CG1 3.46Å; C424-I428 PolarHBondContact O-N 3.33Å | ||
| 425 | T | 86.4 | Confident | 69.9 | Low | 96 Ų | 96 | 80.8 Ų | 80.8 | 59% | 0.589 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.3 | -38.4 | 178.9 | 50.3 | 0 | 0 | 0 | 0 | 112.2 | A423 C427 I428 V429 | A423-T425 PolarHBondContact O-N 3.14Å; T425-C427 VanDerWaalsContact C-N 3.3Å; T425-C427 PolarHBondContact O-N 3.2Å; T425-I428 PolarHBondContact O-N 2.99Å; T425-I428 VanDerWaalsContact O-N 3.15Å; T425-V429 WeakPolarHBondContact O-CG2 3.42Å; T425-V429 PolarHBondContact O-N 2.88Å |
| 426 | D | 89.5 | Confident | 68.4 | Low | 31 Ų | 31 | 87.8 Ų | 87.8 | 17% | 0.166 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -63.8 | -33.9 | 175.7 | -50.6 | -45.9 | 0 | 0 | 0 | 112.6 | H395 C424 G430 S566 K569 S570 | H395-D426 IonicContact CE1-OD2 3.7Å; C424-D426 VanDerWaalsContact C-N 3.26Å; C424-D426 PolarHBondContact O-N 3.28Å; D426-G430 PolarHBondContact O-N 3.12Å; D426-S566 PolarHBondContact O-OG 2.97Å; D426-K569 HydrophobicContact CB-CG 4.49Å; D426-S570 VanDerWaalsContact OD2-CB 3.31Å; D426-S570 WeakPolarHBondContact OD2-CB 3.38Å |
| 427 | C | 90.4 | Very high | 67.5 | Low | 20 Ų | 20 | 89.8 Ų | 89.8 | 14% | 0.135 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -70.2 | -42.8 | 171.7 | -78.8 | 0 | 0 | 0 | 0 | 111.8 | H390 C424 T425 V429 G430 K431 S566 | H390-C427 PolarHBondContact CE1-SG 3.42Å; H390-C427 PolarHBondContact NE2-SG 3.45Å; C424-C427 HydrophobicContact CB-CB 3.97Å; C424-C427 WeakPolarHBondContact O-CA 3.41Å; C424-C427 VanDerWaalsContact O-CB 3.3Å; C424-C427 WeakPolarHBondContact O-CB 3.43Å; C424-C427 PolarHBondContact O-N 3.49Å; T425-C427 VanDerWaalsContact C-N 3.3Å; T425-C427 PolarHBondContact O-N 3.2Å; C427-V429 VanDerWaalsContact C-N 3.34Å; C427-G430 PolarHBondContact O-N 2.97Å; C427-K431 HydrophobicContact CB-CD 4.41Å; C427-K431 WeakPolarHBondContact O-CA 3.37Å; C427-K431 WeakPolarHBondContact O-CB 3.18Å; C427-K431 VanDerWaalsContact O-CG 3.28Å; C427-K431 WeakPolarHBondContact O-CG 3.41Å; C427-K431 PolarHBondContact O-N 3.38Å; C427-S566 WeakPolarHBondContact CA-OG 3.35Å |
| 428 | I | 85.3 | Confident | 67.4 | Low | 100 Ų | 100 | 92.5 Ų | 92.5 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.7 | -50.2 | -180 | -65.2 | 168.1 | 0 | 0 | 0 | 109.1 | A423 C424 T425 G430 C432 | A423-I428 HydrophobicContact CB-CD1 4.17Å; C424-I428 WeakPolarHBondContact O-CG1 3.46Å; C424-I428 PolarHBondContact O-N 3.33Å; T425-I428 PolarHBondContact O-N 2.99Å; T425-I428 VanDerWaalsContact O-N 3.15Å; I428-G430 PolarHBondContact O-N 2.83Å; I428-C432 VanDerWaalsContact O-CB 3.26Å; I428-C432 WeakPolarHBondContact O-CB 3.37Å; I428-C432 PolarHBondContact O-N 3.23Å |
| 429 | V | 83.5 | Confident | 67.4 | Low | 100 Ų | 100 | 90.4 Ų | 90.4 | 61% | 0.606 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.9 | -41.3 | 178.4 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | T425 C427 | T425-V429 WeakPolarHBondContact O-CG2 3.42Å; T425-V429 PolarHBondContact O-N 2.88Å; C427-V429 VanDerWaalsContact C-N 3.34Å |
| 430 | G | 77.9 | Confident | 67.6 | Low | 4 Ų | 4 | 87.9 Ų | 87.9 | 4% | 0.041 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -79.8 | -24 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | D426 C427 I428 R565 | D426-G430 PolarHBondContact O-N 3.12Å; C427-G430 PolarHBondContact O-N 2.97Å; I428-G430 PolarHBondContact O-N 2.83Å; G430-R565 PolarHBondContact O-NE 3.43Å |
| 431 | K | 83.3 | Confident | 67.4 | Low | 55 Ų | 55 | 88.6 Ų | 88.6 | 24% | 0.239 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -125.2 | 1.9 | -168.5 | -49.3 | -171.8 | 177.6 | 177.8 | 0 | 115.1 | H395 C427 T433 D562 | H395-K431 PolarHBondContact O-NZ 3.24Å; C427-K431 HydrophobicContact CB-CD 4.41Å; C427-K431 WeakPolarHBondContact O-CA 3.37Å; C427-K431 WeakPolarHBondContact O-CB 3.18Å; C427-K431 VanDerWaalsContact O-CG 3.28Å; C427-K431 WeakPolarHBondContact O-CG 3.41Å; C427-K431 PolarHBondContact O-N 3.38Å; K431-T433 PolarHBondContact O-N 2.87Å; K431-D562 HydrophobicContact CG-CB 4.08Å |
| 432 | C | 74.9 | Confident | 67.2 | Low | 107 Ų | 107 | 98.6 Ų | 98.6 | 72% | 0.723 | 55% | 0.55 | S | S | * | . | trans | -57.8 | 127.6 | 172.7 | -167.3 | 0 | 0 | 0 | 0 | 108.8 | I428 | I428-C432 VanDerWaalsContact O-CB 3.26Å; I428-C432 WeakPolarHBondContact O-CB 3.37Å; I428-C432 PolarHBondContact O-N 3.23Å | ||
| 433 | T | 65.8 | Low | 67.1 | Low | 88 Ų | 88 | 100.5 Ų | 100.5 | 54% | 0.54 | 55% | 0.546 | S | S | . | . | trans | -136.8 | 147.8 | -179.2 | 48.1 | 0 | 0 | 0 | 0 | 108.8 | K431 | K431-T433 PolarHBondContact O-N 2.87Š| ||
| 434 | Q | 47.9 | Very low | 66.9 | Low | 168 Ų | 168 | 102.6 Ų | 102.6 | 79% | 0.785 | 54% | 0.541 | S | S | * | . | trans | -73.1 | 129.3 | 166.1 | -66.1 | -174.1 | 5.4 | 0 | 0 | 108.8 | ||||
| 435 | S | 37.5 | Very low | 66.8 | Low | 111 Ų | 111 | 101.8 Ų | 101.8 | 78% | 0.776 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -63.9 | 130.3 | -168.6 | -59.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 436 | K | 45.2 | Very low | 66.8 | Low | 192 Ų | 192 | 103.1 Ų | 103.1 | 84% | 0.835 | 54% | 0.539 | S | S | * | . | 158.6 | 129.5 | 129.6 | -88.6 | 173.4 | -174 | 168.6 | 0 | 107.6 | |||||
| 437 | C | 48.9 | Very low | 66.8 | Low | 80 Ų | 80 | 109 Ų | 109 | 54% | 0.541 | 56% | 0.559 | S | S | . | * | trans | -123.1 | 124 | 178.5 | -162.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 438 | V | 51.9 | Low | 66.9 | Low | 119 Ų | 119 | 108.9 Ų | 108.9 | 72% | 0.721 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 131.2 | 170.6 | -176 | 0 | 0 | 0 | 0 | 109 | S440 R555 | V438-S440 PolarHBondContact O-N 2.83Å; V438-R555 PolarHBondContact O-NH2 2.88Å |
| 439 | P | 48.2 | Very low | 67.4 | Low | 114 Ų | 114 | 104.1 Ų | 104.1 | 74% | 0.74 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 137.1 | 175.6 | -24.9 | 33 | 0 | 0 | 0 | 111.5 | ||
| 440 | S | 53.4 | Low | 68 | Low | 68 Ų | 68 | 101.1 Ų | 101.1 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 147.7 | 173.1 | 72.7 | 0 | 0 | 0 | 0 | 109.9 | V438 | V438-S440 PolarHBondContact O-N 2.83Š|
| 441 | K | 53.9 | Low | 68.7 | Low | 185 Ų | 185 | 101.3 Ų | 101.3 | 80% | 0.804 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -56 | 152.5 | 169.3 | -69.2 | -179.1 | 178.8 | 176.5 | 0 | 111 | ||
| 442 | R | 59.5 | Low | 69.3 | Low | 239 Ų | 239 | 98.7 Ų | 98.7 | 90% | 0.902 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 151.7 | 178 | -73.6 | -176.9 | 176.8 | -166.2 | -0.1 | 111 | Q444 | R442-Q444 PolarHBondContact O-N 3.3Š|
| 443 | R | 64 | Low | 70.2 | Confident | 125 Ų | 125 | 93.7 Ų | 93.7 | 47% | 0.472 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -48.7 | 131.5 | 173.2 | -178.6 | -178.9 | 70.3 | -141.4 | -1.5 | 110.7 | T445 | R443-T445 WeakPolarHBondContact CD-O 3.5Å; R443-T445 WeakPolarHBondContact CG-O 3.47Å; R443-T445 PolarHBondContact NE-O 2.74Å |
| 444 | Q | 69.3 | Low | 71.6 | Confident | 127 Ų | 127 | 89.5 Ų | 89.5 | 59% | 0.593 | 44% | 0.441 | S | S | * | . | trans | -99.4 | -21.7 | 178.7 | -66.4 | -178.8 | -29.5 | 0 | 0 | 112.4 | R442 | R442-Q444 PolarHBondContact O-N 3.3Š| ||
| 445 | T | 85.6 | Confident | 73.8 | Confident | 9 Ų | 9 | 82.4 Ų | 82.4 | 6% | 0.055 | 41% | 0.409 | C | S | . | . | trans | -102.4 | 157.7 | -170.3 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | R443 E450 L451 D477 F478 | R443-T445 WeakPolarHBondContact CD-O 3.5Å; R443-T445 WeakPolarHBondContact CG-O 3.47Å; R443-T445 PolarHBondContact NE-O 2.74Å; T445-E450 HydrophobicContact CG2-CB 3.65Å; T445-L451 HydrophobicContact CG2-CB 3.64Å; T445-D477 HydrophobicContact CG2-CB 4.08Å; T445-D477 WeakPolarHBondContact CG2-OD2 3.17Å; T445-D477 PolarHBondContact OG1-OD2 2.69Å; T445-F478 WeakPolarHBondContact OG1-CA 3.36Å; T445-F478 WeakPolarHBondContact OG1-CB 3.46Å; T445-F478 PolarHBondContact OG1-N 3.09Å | ||
| 446 | N | 86 | Confident | 76.4 | Confident | 123 Ų | 123 | 78.1 Ų | 78.1 | 66% | 0.658 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -115.7 | -13.9 | -178.9 | -67.7 | -52.6 | 0 | 0 | 0 | 113.6 | E450 F478 | N446-E450 PolarHBondContact N-OE2 2.77Å; N446-F478 VanDerWaalsContact C-CD2 3.41Å; N446-F478 VanDerWaalsContact C-CE2 3.43Å; N446-F478 WeakPolarHBondContact O-CE2 3.18Å |
| 447 | R | 89.7 | Confident | 78.7 | Confident | 155 Ų | 155 | 70.3 Ų | 70.3 | 59% | 0.585 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -143.5 | 159.4 | 179.7 | -60.9 | -177.7 | -179.1 | 179.1 | 2.4 | 111 | E450 F478 | R447-E450 HydrophobicContact CB-CG 4.08Å; R447-E450 PolarHBondContact N-OE2 3.24Å; R447-E450 WeakPolarHBondContact O-CG 3.44Å; R447-F478 VanDerWaalsContact C-CG 3.49Å; R447-F478 WeakPolarHBondContact O-CB 3.3Å |
| 448 | V | 94 | Very high | 80.7 | Confident | 17 Ų | 17 | 68 Ų | 68 | 10% | 0.103 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 148.2 | 172 | -62 | 0 | 0 | 0 | 0 | 110.9 | E450 F478 T508 Q510 W605 | V448-E450 PolarHBondContact O-N 2.73Å; V448-F478 HydrophobicContact CG1-CD1 3.74Å; V448-F478 HydrophobicContact CG1-CE1 4.38Å; V448-T508 HydrophobicContact CG2-CG2 4.22Å; V448-Q510 HydrophobicContact CG2-CB 4.34Å; V448-Q510 HydrophobicContact CG2-CG 3.86Å; V448-W605 HydrophobicContact CB-CE3 4.43Å; V448-W605 HydrophobicContact CG1-CE3 4.28Å |
| 449 | L | 95.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 7 | 177.9 | -53.5 | -172.7 | 0 | 0 | 0 | 115.9 | V452 D476 F500 A504 E505 T508 Q510 V512 K513 W605 | L449-V452 HydrophobicContact CD2-CG2 4.07Å; L449-D476 PolarHBondContact N-OD1 2.95Å; L449-F500 HydrophobicContact CD2-CZ 4.48Å; L449-A504 HydrophobicContact CD1-CB 4.14Å; L449-A504 HydrophobicContact CD2-CB 4.15Å; L449-E505 HydrophobicContact CD1-CG 4.38Å; L449-T508 HydrophobicContact CD1-CG2 4.45Å; L449-T508 VanDerWaalsContact CD1-OG1 3.27Å; L449-T508 WeakPolarHBondContact CD1-OG1 3.42Å; L449-Q510 HydrophobicContact CB-CB 4.42Å; L449-Q510 HydrophobicContact CD1-CB 4.23Å; L449-V512 HydrophobicContact CB-CG2 4.21Å; L449-V512 HydrophobicContact CD1-CG2 4.08Å; L449-V512 HydrophobicContact CD2-CG2 4.15Å; L449-V512 HydrophobicContact CG-CG2 4.39Å; L449-V512 WeakPolarHBondContact O-CA 3.47Å; L449-K513 PolarHBondContact O-N 3.15Å; L449-W605 HydrophobicContact CD2-CH2 3.52Å; L449-W605 HydrophobicContact CD2-CZ3 3.74Å; L449-W605 HydrophobicContact CG-CH2 4.42Å |
| 450 | E | 94.7 | Very high | 84.7 | Confident | 37 Ų | 37 | 61.2 Ų | 61.2 | 17% | 0.173 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -69.1 | -36.2 | 172 | -68 | -166.5 | 143.8 | 0 | 0 | 112.5 | T445 N446 R447 V448 K513 T514 | T445-E450 HydrophobicContact CG2-CB 3.65Å; N446-E450 PolarHBondContact N-OE2 2.77Å; R447-E450 HydrophobicContact CB-CG 4.08Å; R447-E450 PolarHBondContact N-OE2 3.24Å; R447-E450 WeakPolarHBondContact O-CG 3.44Å; V448-E450 PolarHBondContact O-N 2.73Å; E450-K513 HydrophobicContact CB-CD 4.43Å; E450-K513 HydrophobicContact CG-CD 4.1Å; E450-K513 IonicContact OE1-NZ 2.75Å; E450-K513 PolarHBondContact OE1-NZ 3.43Å; E450-T514 PolarHBondContact O-N 2.95Å |
| 451 | L | 94.4 | Very high | 86.5 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 125.9 | 173.9 | 176.5 | 63.4 | 0 | 0 | 0 | 109 | T445 D477 T514 R516 | T445-L451 HydrophobicContact CG2-CB 3.64Å; L451-D477 HydrophobicContact CB-CB 3.86Å; L451-D477 HydrophobicContact CD2-CB 4.11Å; L451-D477 HydrophobicContact CG-CB 4.09Å; L451-D477 VanDerWaalsContact O-CB 3.28Å; L451-D477 WeakPolarHBondContact O-CB 3.39Å; L451-D477 PolarHBondContact O-N 2.9Å; L451-T514 WeakPolarHBondContact CA-O 3.37Å; L451-T514 HydrophobicContact CD1-CG2 3.7Å; L451-R516 HydrophobicContact CD1-CB 4.07Å |
| 452 | V | 95.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 128.9 | 175.4 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | L449 I474 V475 F500 V512 T514 I515 R516 | L449-V452 HydrophobicContact CD2-CG2 4.07Å; V452-I474 HydrophobicContact CG1-CG2 3.36Å; V452-V475 CarbonylContact C-O 3.59Å; V452-V475 WeakPolarHBondContact CA-O 3.25Å; V452-F500 HydrophobicContact CG1-CE1 4.01Å; V452-F500 HydrophobicContact CG1-CZ 4.47Å; V452-V512 HydrophobicContact CG2-CG1 4.28Å; V452-T514 PolarHBondContact N-O 2.92Å; V452-I515 HydrophobicContact CB-CG1 4.41Å; V452-I515 CarbonylContact O-C 3.55Å; V452-I515 WeakPolarHBondContact O-CA 3.45Å; V452-R516 PolarHBondContact O-N 2.87Å |
| 453 | H | 94.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.009 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 139 | 174.7 | -55 | -102.5 | 0 | 0 | 0 | 109.3 | I474 V475 D477 R516 A553 | H453-I474 CarbonylContact O-C 3.56Å; H453-I474 WeakPolarHBondContact O-CA 3.35Å; H453-V475 HydrophobicContact CB-CB 4.43Å; H453-V475 PolarHBondContact N-O 3.43Å; H453-V475 PolarHBondContact O-N 2.79Å; H453-D477 IonicContact NE2-OD1 2.81Å; H453-D477 PolarHBondContact NE2-OD1 3.49Å; H453-D477 VanDerWaalsContact NE2-OD1 3.15Å; H453-R516 CarbonylContact C-O 3.59Å; H453-R516 WeakPolarHBondContact CA-O 3.36Å; H453-R516 PolarHBondContact CE1-NH1 3.09Å; H453-A553 HydrophobicContact CB-CB 4.08Å |
| 454 | S | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 142.7 | 175.2 | -165.5 | 0 | 0 | 0 | 0 | 111.1 | T473 R516 Y523 N550 | S454-T473 VanDerWaalsContact CA-O 3.24Å; S454-T473 WeakPolarHBondContact CA-O 3.21Å; S454-R516 PolarHBondContact N-O 3.22Å; S454-Y523 PolarHBondContact OG-OH 2.76Å; S454-N550 PolarHBondContact O-ND2 2.99Å |
| 455 | D | 93.6 | Very high | 92.4 | Very high | 20 Ų | 20 | 42.6 Ų | 42.6 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 151.6 | 177 | -172.9 | 27.2 | 0 | 0 | 0 | 110.4 | M472 T473 A553 N557 | D455-M472 WeakPolarHBondContact O-CA 3.49Å; D455-T473 PolarHBondContact N-O 3.02Å; D455-T473 PolarHBondContact O-N 2.79Å; D455-A553 HydrophobicContact CB-CB 3.53Å; D455-N557 PolarHBondContact OD2-ND2 3.01Å |
| 456 | I | 93.2 | Very high | 92.5 | Very high | 21 Ų | 21 | 44.7 Ų | 44.7 | 11% | 0.108 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 127.8 | 178.5 | -56.9 | -168.2 | 0 | 0 | 0 | 109.9 | Y470 M472 L487 A493 E522 Y523 | I456-Y470 HydrophobicContact CG2-CD1 4.15Å; I456-Y470 HydrophobicContact CG2-CG 4.38Å; I456-M472 HydrophobicContact CG1-CB 4.31Å; I456-M472 HydrophobicContact CG1-CG 4.36Å; I456-L487 HydrophobicContact CD1-CD1 4.18Å; I456-A493 HydrophobicContact CD1-CB 3.48Å; I456-A493 VanDerWaalsContact CD1-CB 3.48Å; I456-E522 HydrophobicContact CD1-CG 3.73Å; I456-Y523 HydrophobicContact CD1-CE2 4.33Å; I456-Y523 HydrophobicContact CG1-CE2 4.12Å; I456-Y523 VanDerWaalsContact CG1-OH 3.25Å; I456-Y523 WeakPolarHBondContact CG1-OH 3.35Å |
| 457 | C | 92.9 | Very high | 92.8 | Very high | 27 Ų | 27 | 40.3 Ų | 40.3 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 124.8 | 174.6 | -169.2 | 0 | 0 | 0 | 0 | 110.5 | M460 Y470 F471 | C457-M460 HydrophobicContact CB-CE 4.29Å; C457-M460 WeakPolarHBondContact SG-CE 3.22Å; C457-Y470 WeakPolarHBondContact O-CA 3.36Å; C457-F471 HydrophobicContact CB-CD1 4.01Å; C457-F471 HydrophobicContact CB-CD2 4.15Å; C457-F471 HydrophobicContact CB-CE1 3.53Å; C457-F471 HydrophobicContact CB-CE2 3.66Å; C457-F471 HydrophobicContact CB-CG 4.32Å; C457-F471 HydrophobicContact CB-CZ 3.33Å; C457-F471 PolarHBondContact N-O 3.24Å; C457-F471 PolarHBondContact O-N 2.82Å |
| 458 | G | 90.2 | Very high | 93.1 | Very high | 31 Ų | 31 | 33.2 Ų | 33.2 | 32% | 0.32 | 21% | 0.209 | S | C | . | . | trans | 144.2 | -177.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 459 | P | 92.6 | Very high | 93.2 | Very high | 71 Ų | 71 | 34.5 Ų | 34.5 | 46% | 0.461 | 22% | 0.216 | S | C | . | . | cis | -71.1 | 141.6 | 7.2 | 27.3 | -32 | 0 | 0 | 0 | 112.3 | Y470 | P459-Y470 VanDerWaalsContact CA-CE1 3.43Å; P459-Y470 HydrophobicContact CB-CD1 4.48Å; P459-Y470 HydrophobicContact CB-CE1 3.7Å; P459-Y470 HydrophobicContact CG-CE1 4.24Å | ||
| 460 | M | 92.7 | Very high | 93.3 | Very high | 20 Ų | 20 | 36.3 Ų | 36.3 | 10% | 0.099 | 22% | 0.223 | C | C | . | . | trans | -72.6 | 140.8 | 171.1 | -66.6 | -68.1 | 138.6 | 0 | 0 | 109.3 | C457 V462 L469 F471 M561 W578 | C457-M460 HydrophobicContact CB-CE 4.29Å; C457-M460 WeakPolarHBondContact SG-CE 3.22Å; M460-V462 PolarHBondContact O-N 3.47Å; M460-L469 PolarHBondContact N-O 3.24Å; M460-F471 HydrophobicContact CE-CD1 4Å; M460-F471 HydrophobicContact CE-CE1 3.55Å; M460-M561 HydrophobicContact CE-CE 4.31Å; M460-M561 HydrophobicContact CE-SD 4.25Å; M460-M561 HydrophobicContact SD-CE 4.03Å; M460-W578 HydrophobicContact CB-CD2 4.44Å; M460-W578 HydrophobicContact CB-CZ2 3.89Å; M460-W578 HydrophobicContact CG-CD2 3.92Å; M460-W578 HydrophobicContact CG-CE3 4.13Å; M460-W578 HydrophobicContact CG-CH2 3.87Å; M460-W578 HydrophobicContact CG-CZ2 3.58Å; M460-W578 HydrophobicContact CG-CZ3 4.14Å | ||
| 461 | P | 91.1 | Very high | 93.4 | Very high | 116 Ų | 116 | 34.6 Ų | 34.6 | 75% | 0.753 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -65.5 | -14.6 | -178.6 | 26.6 | -35.6 | 0 | 0 | 0 | 113.1 | ||
| 462 | V | 91.4 | Very high | 93.5 | Very high | 36 Ų | 36 | 34.2 Ų | 34.2 | 22% | 0.218 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -130.2 | 128.2 | 178.7 | -176.4 | 0 | 0 | 0 | 0 | 108 | M460 K575 Q576 W578 | M460-V462 PolarHBondContact O-N 3.47Å; V462-K575 HydrophobicContact CB-CB 4.4Å; V462-K575 HydrophobicContact CG2-CB 4.14Å; V462-K575 HydrophobicContact CG2-CD 4.42Å; V462-Q576 HydrophobicContact CG1-CB 4.4Å; V462-Q576 HydrophobicContact CG1-CG 3.53Å; V462-W578 PolarHBondContact O-NE1 2.85Å |
| 463 | K | 93.9 | Very high | 93.5 | Very high | 138 Ų | 138 | 34.2 Ų | 34.2 | 60% | 0.6 | 21% | 0.213 | S | C | * | . | trans | -58.4 | 139 | 170.8 | -75 | 176.4 | -178.5 | 174 | 0 | 109.7 | L469 | K463-L469 HydrophobicContact CD-CD2 4.49Å; K463-L469 HydrophobicContact CG-CD2 3.48Å; K463-L469 VanDerWaalsContact CG-CD2 3.48Å; K463-L469 HydrophobicContact CG-CG 4.13Å | ||
| 464 | S | 94.7 | Very high | 93.6 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 6% | 0.063 | 21% | 0.212 | C | C | . | . | trans | -66.6 | 162.2 | 174.6 | 82.3 | 0 | 0 | 0 | 0 | 111.1 | G466 G467 A468 Q576 | S464-G466 PolarHBondContact O-N 2.85Å; S464-G466 VanDerWaalsContact O-N 3.17Å; S464-G466 PolarHBondContact OG-N 2.76Å; S464-G467 WeakPolarHBondContact O-CA 3.44Å; S464-G467 PolarHBondContact O-N 2.82Å; S464-G467 PolarHBondContact OG-N 3Å; S464-A468 PolarHBondContact N-O 3.43Å; S464-A468 WeakPolarHBondContact OG-CB 3.34Å; S464-A468 PolarHBondContact OG-N 3.18Å; S464-Q576 CarbonylContact C-O 3.54Å; S464-Q576 WeakPolarHBondContact CA-O 3.33Å | ||
| 465 | H | 89.5 | Confident | 93.7 | Very high | 55 Ų | 55 | 34.2 Ų | 34.2 | 26% | 0.255 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -32.5 | 173 | -178.8 | 73.4 | 0 | 0 | 0 | 112.2 | G467 Q576 W656 I664 G665 | H465-G467 VanDerWaalsContact C-N 3.33Å; H465-Q576 PolarHBondContact N-O 3.36Å; H465-W656 AromaticContact CE1-NE1 3.76Å; H465-W656 AromaticContact NE2-NE1 3.73Å; H465-I664 PolarHBondContact CE1-O 2.58Å; H465-G665 PolarHBondContact CE1-O 2.78Å; H465-G665 PolarHBondContact NE2-O 2.9Å |
| 466 | G | 88.8 | Confident | 93.8 | Very high | 53 Ų | 53 | 33.4 Ų | 33.4 | 55% | 0.546 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 6.1 | 173 | 0 | 0 | 0 | 0 | 0 | 115.6 | S464 | S464-G466 PolarHBondContact O-N 2.85Å; S464-G466 VanDerWaalsContact O-N 3.17Å; S464-G466 PolarHBondContact OG-N 2.76Å |
| 467 | G | 92.1 | Very high | 93.8 | Very high | 30 Ų | 30 | 32.7 Ų | 32.7 | 31% | 0.309 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 80.9 | 12.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.8 | S464 H465 | S464-G467 WeakPolarHBondContact O-CA 3.44Å; S464-G467 PolarHBondContact O-N 2.82Å; S464-G467 PolarHBondContact OG-N 3Å; H465-G467 VanDerWaalsContact C-N 3.33Å |
| 468 | A | 95.9 | Very high | 93.7 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 5% | 0.05 | 21% | 0.205 | C | C | . | . | trans | -74.5 | 148.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | S464 C486 L487 W578 | S464-A468 PolarHBondContact N-O 3.43Å; S464-A468 WeakPolarHBondContact OG-CB 3.34Å; S464-A468 PolarHBondContact OG-N 3.18Å; A468-C486 HydrophobicContact CB-CB 3.86Å; A468-L487 WeakPolarHBondContact CA-O 3.28Å; A468-L487 WeakPolarHBondContact CB-O 3.21Å; A468-W578 HydrophobicContact CB-CH2 4.04Å; A468-W578 HydrophobicContact CB-CZ2 4.15Å; A468-W578 WeakPolarHBondContact O-CZ2 3.29Å | ||
| 469 | L | 96.3 | Very high | 93.9 | Very high | 45 Ų | 45 | 31.9 Ų | 31.9 | 24% | 0.236 | 19% | 0.189 | C | C | . | . | trans | -116.2 | -23.3 | 173.7 | -77.6 | 172.1 | 0 | 0 | 0 | 112.3 | M460 K463 L487 | M460-L469 PolarHBondContact N-O 3.24Å; K463-L469 HydrophobicContact CD-CD2 4.49Å; K463-L469 HydrophobicContact CG-CD2 3.48Å; K463-L469 VanDerWaalsContact CG-CD2 3.48Å; K463-L469 HydrophobicContact CG-CG 4.13Å; L469-L487 PolarHBondContact N-O 3.38Å | ||
| 470 | Y | 97 | Very high | 93.9 | Very high | 38 Ų | 38 | 29.5 Ų | 29.5 | 15% | 0.149 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 162.6 | -176.3 | -51.6 | -95 | 0 | 0 | 0 | 109.8 | I456 C457 P459 L487 K490 | I456-Y470 HydrophobicContact CG2-CD1 4.15Å; I456-Y470 HydrophobicContact CG2-CG 4.38Å; C457-Y470 WeakPolarHBondContact O-CA 3.36Å; P459-Y470 VanDerWaalsContact CA-CE1 3.43Å; P459-Y470 HydrophobicContact CB-CD1 4.48Å; P459-Y470 HydrophobicContact CB-CE1 3.7Å; P459-Y470 HydrophobicContact CG-CE1 4.24Å; Y470-L487 PolarHBondContact N-O 2.89Å; Y470-L487 PolarHBondContact O-N 2.89Å; Y470-K490 HydrophobicContact CD1-CG 3.93Å; Y470-K490 HydrophobicContact CD2-CG 4.21Å; Y470-K490 HydrophobicContact CE1-CD 4.06Å; Y470-K490 HydrophobicContact CE1-CG 3.71Å; Y470-K490 HydrophobicContact CE2-CG 4.02Å; Y470-K490 HydrophobicContact CG-CG 4.19Å |
| 471 | F | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 137.9 | 161.2 | 67.3 | -91.2 | 0 | 0 | 0 | 110.7 | C457 M460 T473 V484 M485 L560 M561 W578 V582 | C457-F471 HydrophobicContact CB-CD1 4.01Å; C457-F471 HydrophobicContact CB-CD2 4.15Å; C457-F471 HydrophobicContact CB-CE1 3.53Å; C457-F471 HydrophobicContact CB-CE2 3.66Å; C457-F471 HydrophobicContact CB-CG 4.32Å; C457-F471 HydrophobicContact CB-CZ 3.33Å; C457-F471 PolarHBondContact N-O 3.24Å; C457-F471 PolarHBondContact O-N 2.82Å; M460-F471 HydrophobicContact CE-CD1 4Å; M460-F471 HydrophobicContact CE-CE1 3.55Å; F471-T473 WeakPolarHBondContact CD2-OG1 3.44Å; F471-T473 WeakPolarHBondContact CE2-OG1 3.24Å; F471-V484 HydrophobicContact CB-CG1 3.87Å; F471-V484 HydrophobicContact CD2-CG1 3.81Å; F471-V484 HydrophobicContact CG-CG1 4.13Å; F471-M485 CarbonylContact C-O 3.59Å; F471-M485 WeakPolarHBondContact CA-O 3.09Å; F471-L560 HydrophobicContact CE2-CD1 4.27Å; F471-M561 HydrophobicContact CE1-SD 3.76Å; F471-M561 HydrophobicContact CZ-CG 4.34Å; F471-M561 HydrophobicContact CZ-SD 3.92Å; F471-W578 HydrophobicContact CB-CZ3 4.19Å; F471-W578 HydrophobicContact CD1-CE3 4.29Å; F471-W578 HydrophobicContact CD1-CH2 4.43Å; F471-W578 AromaticContact CD1-CZ3 3.64Å; F471-W578 HydrophobicContact CD1-CZ3 3.64Å; F471-W578 HydrophobicContact CG-CZ3 4.35Å; F471-V582 HydrophobicContact CD1-CG2 4.45Å; F471-V582 HydrophobicContact CD2-CG2 4.14Å; F471-V582 HydrophobicContact CE1-CG2 4.25Å; F471-V582 HydrophobicContact CE2-CG2 3.95Å; F471-V582 HydrophobicContact CG-CG2 4.38Å; F471-V582 HydrophobicContact CZ-CG2 4Å |
| 472 | M | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 128.7 | 173.3 | 178.3 | 176.8 | 57.6 | 0 | 0 | 109.2 | D455 I456 I474 V484 M485 L487 A493 R496 L497 Y523 | D455-M472 WeakPolarHBondContact O-CA 3.49Å; I456-M472 HydrophobicContact CG1-CB 4.31Å; I456-M472 HydrophobicContact CG1-CG 4.36Å; M472-I474 HydrophobicContact CE-CD1 3.98Å; M472-I474 HydrophobicContact CE-CG1 4.47Å; M472-I474 HydrophobicContact CG-CG1 4.25Å; M472-V484 WeakPolarHBondContact O-CA 3.25Å; M472-M485 HydrophobicContact CE-CB 4.22Å; M472-M485 HydrophobicContact CE-SD 3.83Å; M472-M485 PolarHBondContact N-O 3.28Å; M472-M485 PolarHBondContact O-N 2.94Å; M472-L487 HydrophobicContact CB-CD1 3.99Å; M472-L487 HydrophobicContact CB-CG 4.45Å; M472-A493 HydrophobicContact SD-CB 4.18Å; M472-R496 HydrophobicContact CE-CB 3.61Å; M472-L497 HydrophobicContact CE-CB 4.19Å; M472-L497 HydrophobicContact SD-CB 4.21Å; M472-Y523 HydrophobicContact SD-CE1 4.03Å |
| 473 | T | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 125.3 | 178.3 | -65 | 0 | 0 | 0 | 0 | 109.5 | S454 D455 F471 V475 V482 I483 V556 N557 L560 | S454-T473 VanDerWaalsContact CA-O 3.24Å; S454-T473 WeakPolarHBondContact CA-O 3.21Å; D455-T473 PolarHBondContact N-O 3.02Å; D455-T473 PolarHBondContact O-N 2.79Å; F471-T473 WeakPolarHBondContact CD2-OG1 3.44Å; F471-T473 WeakPolarHBondContact CE2-OG1 3.24Å; T473-V475 HydrophobicContact CG2-CG2 3.81Å; T473-V482 HydrophobicContact CG2-CG1 3.93Å; T473-I483 WeakPolarHBondContact CA-O 3.38Å; T473-V556 HydrophobicContact CG2-CB 4.27Å; T473-V556 HydrophobicContact CG2-CG1 3.62Å; T473-N557 WeakPolarHBondContact CB-OD1 3.4Å; T473-N557 PolarHBondContact OG1-OD1 2.86Å; T473-L560 HydrophobicContact CG2-CD1 4.36Å |
| 474 | I | 96.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.3 | 179.6 | -57.2 | 174.7 | 0 | 0 | 0 | 108.3 | V452 H453 M472 V482 I483 M485 L497 F500 | V452-I474 HydrophobicContact CG1-CG2 3.36Å; H453-I474 CarbonylContact O-C 3.56Å; H453-I474 WeakPolarHBondContact O-CA 3.35Å; M472-I474 HydrophobicContact CE-CD1 3.98Å; M472-I474 HydrophobicContact CE-CG1 4.47Å; M472-I474 HydrophobicContact CG-CG1 4.25Å; I474-V482 CarbonylContact O-C 3.59Å; I474-V482 WeakPolarHBondContact O-CA 3.3Å; I474-I483 HydrophobicContact CB-CB 4.33Å; I474-I483 PolarHBondContact N-O 3.35Å; I474-I483 PolarHBondContact O-N 3.1Å; I474-M485 HydrophobicContact CD1-SD 4.15Å; I474-L497 HydrophobicContact CD1-CD1 3.81Å; I474-L497 HydrophobicContact CG1-CD1 4.31Å; I474-F500 HydrophobicContact CD1-CB 3.65Å; I474-F500 HydrophobicContact CD1-CD1 3.77Å; I474-F500 HydrophobicContact CD1-CD2 4.18Å; I474-F500 HydrophobicContact CD1-CG 3.55Å; I474-F500 HydrophobicContact CG2-CD1 3.78Å; I474-F500 HydrophobicContact CG2-CD2 4.37Å; I474-F500 HydrophobicContact CG2-CE1 3.48Å; I474-F500 VanDerWaalsContact CG2-CE1 3.48Å; I474-F500 HydrophobicContact CG2-CE2 4.12Å; I474-F500 HydrophobicContact CG2-CG 4.21Å; I474-F500 HydrophobicContact CG2-CZ 3.65Å |
| 475 | V | 95.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 119.9 | -174.5 | -169.5 | 0 | 0 | 0 | 0 | 110.8 | V452 H453 T473 K481 V482 V552 V556 | V452-V475 CarbonylContact C-O 3.59Å; V452-V475 WeakPolarHBondContact CA-O 3.25Å; H453-V475 HydrophobicContact CB-CB 4.43Å; H453-V475 PolarHBondContact N-O 3.43Å; H453-V475 PolarHBondContact O-N 2.79Å; T473-V475 HydrophobicContact CG2-CG2 3.81Å; V475-K481 WeakPolarHBondContact CA-O 3.33Å; V475-V482 HydrophobicContact CG1-CG2 4.45Å; V475-V482 HydrophobicContact CG2-CG2 4.35Å; V475-V552 HydrophobicContact CB-CG1 4.31Å; V475-V552 HydrophobicContact CG1-CG1 3.91Å; V475-V556 HydrophobicContact CG1-CG2 4.42Å; V475-V556 HydrophobicContact CG2-CB 4.11Å; V475-V556 HydrophobicContact CG2-CG1 4.17Å; V475-V556 HydrophobicContact CG2-CG2 3.96Å |
| 476 | D | 95.3 | Very high | 95.1 | Very high | 3 Ų | 3 | 17.7 Ų | 17.7 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 127.2 | 170.4 | 174.8 | 66.9 | 0 | 0 | 0 | 110.8 | L449 F478 S479 R480 K481 W605 | L449-D476 PolarHBondContact N-OD1 2.95Å; D476-F478 VanDerWaalsContact C-N 3.31Å; D476-F478 PolarHBondContact O-N 3.13Å; D476-F478 PolarHBondContact OD2-N 2.77Å; D476-S479 WeakPolarHBondContact CB-OG 3.4Å; D476-S479 WeakPolarHBondContact OD2-CB 3.2Å; D476-S479 PolarHBondContact OD2-N 3.29Å; D476-S479 PolarHBondContact OD2-OG 3.43Å; D476-R480 WeakPolarHBondContact O-CA 3.23Å; D476-R480 PolarHBondContact O-N 2.83Å; D476-K481 PolarHBondContact N-O 3.14Å; D476-K481 VanDerWaalsContact N-O 3.08Å; D476-W605 HydrophobicContact CB-CE3 4.31Å; D476-W605 HydrophobicContact CB-CZ3 3.78Å |
| 477 | D | 93 | Very high | 95.5 | Very high | 6 Ų | 6 | 15.2 Ų | 15.2 | 3% | 0.032 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -34 | -174.5 | -173 | 69.9 | 0 | 0 | 0 | 113 | T445 L451 H453 R480 | T445-D477 HydrophobicContact CG2-CB 4.08Å; T445-D477 WeakPolarHBondContact CG2-OD2 3.17Å; T445-D477 PolarHBondContact OG1-OD2 2.69Å; L451-D477 HydrophobicContact CB-CB 3.86Å; L451-D477 HydrophobicContact CD2-CB 4.11Å; L451-D477 HydrophobicContact CG-CB 4.09Å; L451-D477 VanDerWaalsContact O-CB 3.28Å; L451-D477 WeakPolarHBondContact O-CB 3.39Å; L451-D477 PolarHBondContact O-N 2.9Å; H453-D477 IonicContact NE2-OD1 2.81Å; H453-D477 PolarHBondContact NE2-OD1 3.49Å; H453-D477 VanDerWaalsContact NE2-OD1 3.15Å; D477-R480 VanDerWaalsContact CG-NH2 3.35Å; D477-R480 PolarHBondContact O-NE 2.9Å; D477-R480 PolarHBondContact O-NH2 3.2Å; D477-R480 IonicContact OD1-CZ 3.94Å; D477-R480 IonicContact OD1-NH1 3.1Å; D477-R480 PolarHBondContact OD1-NH1 2.92Å; D477-R480 IonicContact OD1-NH2 2.72Å; D477-R480 PolarHBondContact OD1-NH2 2.94Å; D477-R480 IonicContact OD2-NH2 3.3Å |
| 478 | F | 92.3 | Very high | 95.6 | Very high | 41 Ų | 41 | 19.8 Ų | 19.8 | 18% | 0.18 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -60.4 | -175.6 | 176.3 | -104.7 | 0 | 0 | 0 | 112.1 | T445 N446 R447 V448 D476 R480 N597 L604 | T445-F478 WeakPolarHBondContact OG1-CA 3.36Å; T445-F478 WeakPolarHBondContact OG1-CB 3.46Å; T445-F478 PolarHBondContact OG1-N 3.09Å; N446-F478 VanDerWaalsContact C-CD2 3.41Å; N446-F478 VanDerWaalsContact C-CE2 3.43Å; N446-F478 WeakPolarHBondContact O-CE2 3.18Å; R447-F478 VanDerWaalsContact C-CG 3.49Å; R447-F478 WeakPolarHBondContact O-CB 3.3Å; V448-F478 HydrophobicContact CG1-CD1 3.74Å; V448-F478 HydrophobicContact CG1-CE1 4.38Å; D476-F478 VanDerWaalsContact C-N 3.31Å; D476-F478 PolarHBondContact O-N 3.13Å; D476-F478 PolarHBondContact OD2-N 2.77Å; F478-R480 VanDerWaalsContact C-N 3.33Å; F478-N597 PolarHBondContact O-ND2 3.22Å; F478-L604 HydrophobicContact CE1-CD2 4.46Å |
| 479 | S | 93 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -26 | -178.7 | 64.9 | 0 | 0 | 0 | 0 | 112.5 | D476 K481 N597 P601 | D476-S479 WeakPolarHBondContact CB-OG 3.4Å; D476-S479 WeakPolarHBondContact OD2-CB 3.2Å; D476-S479 PolarHBondContact OD2-N 3.29Å; D476-S479 PolarHBondContact OD2-OG 3.43Å; S479-K481 PolarHBondContact O-N 3Å; S479-K481 VanDerWaalsContact OG-CB 3.31Å; S479-K481 WeakPolarHBondContact OG-CB 3.2Å; S479-K481 PolarHBondContact OG-N 2.91Å; S479-K481 VanDerWaalsContact OG-N 3.13Å; S479-N597 PolarHBondContact O-ND2 2.86Å; S479-P601 VanDerWaalsContact O-CA 3.31Å; S479-P601 WeakPolarHBondContact O-CA 3.42Å; S479-P601 WeakPolarHBondContact O-CB 3.44Å |
| 480 | R | 92.9 | Very high | 95.1 | Very high | 21 Ų | 21 | 23.3 Ų | 23.3 | 8% | 0.079 | 12% | 0.115 | C | C | . | . | trans | 62.9 | 21.8 | -167.1 | -55.5 | -68.9 | 170.6 | -176 | -13.8 | 113.2 | D476 D477 F478 V482 H594 | D476-R480 WeakPolarHBondContact O-CA 3.23Å; D476-R480 PolarHBondContact O-N 2.83Å; D477-R480 VanDerWaalsContact CG-NH2 3.35Å; D477-R480 PolarHBondContact O-NE 2.9Å; D477-R480 PolarHBondContact O-NH2 3.2Å; D477-R480 IonicContact OD1-CZ 3.94Å; D477-R480 IonicContact OD1-NH1 3.1Å; D477-R480 PolarHBondContact OD1-NH1 2.92Å; D477-R480 IonicContact OD1-NH2 2.72Å; D477-R480 PolarHBondContact OD1-NH2 2.94Å; D477-R480 IonicContact OD2-NH2 3.3Å; F478-R480 VanDerWaalsContact C-N 3.33Å; R480-V482 PolarHBondContact O-N 3.15Å; R480-H594 HydrophobicContact CB-CB 4.49Å | ||
| 481 | K | 95.7 | Very high | 94.8 | Very high | 18 Ų | 18 | 26.2 Ų | 26.2 | 8% | 0.078 | 14% | 0.141 | C | C | . | . | trans | -66.1 | 131.8 | 173.5 | -177.7 | 171.7 | 179.2 | 154.7 | 0 | 109 | V475 D476 S479 I483 N590 P601 E602 W605 | V475-K481 WeakPolarHBondContact CA-O 3.33Å; D476-K481 PolarHBondContact N-O 3.14Å; D476-K481 VanDerWaalsContact N-O 3.08Å; S479-K481 PolarHBondContact O-N 3Å; S479-K481 VanDerWaalsContact OG-CB 3.31Å; S479-K481 WeakPolarHBondContact OG-CB 3.2Å; S479-K481 PolarHBondContact OG-N 2.91Å; S479-K481 VanDerWaalsContact OG-N 3.13Å; K481-I483 HydrophobicContact CG-CG1 4.46Å; K481-N590 WeakPolarHBondContact CA-OD1 3.25Å; K481-P601 HydrophobicContact CB-CB 4.16Å; K481-E602 WeakPolarHBondContact CE-OE2 3.19Å; K481-E602 IonicContact NZ-OE1 3.56Å; K481-E602 PolarHBondContact NZ-OE1 3.45Å; K481-E602 IonicContact NZ-OE2 2.86Å; K481-E602 PolarHBondContact NZ-OE2 3.24Å; K481-W605 HydrophobicContact CB-CE3 4.14Å; K481-W605 HydrophobicContact CD-CB 3.73Å; K481-W605 HydrophobicContact CD-CD2 3.45Å; K481-W605 VanDerWaalsContact CD-CD2 3.45Å; K481-W605 HydrophobicContact CD-CE3 3.83Å; K481-W605 HydrophobicContact CD-CG 3.4Å; K481-W605 VanDerWaalsContact NZ-CD1 3.32Å | ||
| 482 | V | 96.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 126.6 | 179.7 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | T473 I474 V475 R480 V484 V556 L560 A586 N590 | T473-V482 HydrophobicContact CG2-CG1 3.93Å; I474-V482 CarbonylContact O-C 3.59Å; I474-V482 WeakPolarHBondContact O-CA 3.3Å; V475-V482 HydrophobicContact CG1-CG2 4.45Å; V475-V482 HydrophobicContact CG2-CG2 4.35Å; R480-V482 PolarHBondContact O-N 3.15Å; V482-V484 HydrophobicContact CG1-CG2 4.19Å; V482-V556 HydrophobicContact CB-CG1 4.2Å; V482-V556 HydrophobicContact CG1-CG1 3.5Å; V482-V556 VanDerWaalsContact CG1-CG1 3.5Å; V482-V556 HydrophobicContact CG2-CG1 3.58Å; V482-V556 HydrophobicContact CG2-CG2 4.07Å; V482-L560 HydrophobicContact CG1-CD1 4.1Å; V482-A586 HydrophobicContact CG1-CB 4.28Å; V482-N590 PolarHBondContact N-OD1 2.84Å; V482-N590 PolarHBondContact O-ND2 3.22Å |
| 483 | I | 97.1 | Very high | 94.3 | Very high | 26 Ų | 26 | 28.3 Ų | 28.3 | 13% | 0.133 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 133.8 | 173.8 | -67.8 | 161.6 | 0 | 0 | 0 | 107 | T473 I474 K481 M485 F500 M503 | T473-I483 WeakPolarHBondContact CA-O 3.38Å; I474-I483 HydrophobicContact CB-CB 4.33Å; I474-I483 PolarHBondContact N-O 3.35Å; I474-I483 PolarHBondContact O-N 3.1Å; K481-I483 HydrophobicContact CG-CG1 4.46Å; I483-M485 HydrophobicContact CG2-CE 4.4Å; I483-F500 HydrophobicContact CD1-CD2 3.76Å; I483-F500 HydrophobicContact CD1-CE2 3.27Å; I483-F500 HydrophobicContact CD1-CZ 4.3Å; I483-F500 HydrophobicContact CG2-CD2 4.43Å; I483-M503 HydrophobicContact CD1-CE 4.49Å |
| 484 | V | 97.2 | Very high | 94 | Very high | 22 Ų | 22 | 29.1 Ų | 29.1 | 13% | 0.133 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134.2 | -179.7 | 176.1 | 0 | 0 | 0 | 0 | 108.6 | F471 M472 V482 L560 V582 A586 | F471-V484 HydrophobicContact CB-CG1 3.87Å; F471-V484 HydrophobicContact CD2-CG1 3.81Å; F471-V484 HydrophobicContact CG-CG1 4.13Å; M472-V484 WeakPolarHBondContact O-CA 3.25Å; V482-V484 HydrophobicContact CG1-CG2 4.19Å; V484-L560 HydrophobicContact CG2-CD1 3.64Å; V484-V582 HydrophobicContact CG1-CG1 3.93Å; V484-V582 HydrophobicContact CG1-CG2 4.11Å; V484-V582 HydrophobicContact CG2-CG2 4.39Å; V484-A586 HydrophobicContact CB-CB 4.31Å; V484-A586 HydrophobicContact CG2-CB 3.68Å |
| 485 | M | 96.5 | Very high | 93.8 | Very high | 27 Ų | 27 | 35.7 Ų | 35.7 | 13% | 0.133 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 114.1 | 175.9 | -66.6 | -178.5 | 164.9 | 0 | 0 | 108.9 | F471 M472 I474 I483 R496 F500 | F471-M485 CarbonylContact C-O 3.59Å; F471-M485 WeakPolarHBondContact CA-O 3.09Å; M472-M485 HydrophobicContact CE-CB 4.22Å; M472-M485 HydrophobicContact CE-SD 3.83Å; M472-M485 PolarHBondContact N-O 3.28Å; M472-M485 PolarHBondContact O-N 2.94Å; I474-M485 HydrophobicContact CD1-SD 4.15Å; I483-M485 HydrophobicContact CG2-CE 4.4Å; M485-R496 HydrophobicContact SD-CB 3.78Å; M485-R496 VanDerWaalsContact SD-O 3.4Å; M485-F500 HydrophobicContact CE-CB 3.63Å; M485-F500 HydrophobicContact SD-CB 4.35Å |
| 486 | C | 96.5 | Very high | 93.7 | Very high | 31 Ų | 31 | 39 Ų | 39 | 21% | 0.209 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 136.9 | 177.1 | -61.6 | 0 | 0 | 0 | 0 | 110.5 | A468 R496 | A468-C486 HydrophobicContact CB-CB 3.86Å; C486-R496 PolarHBondContact O-NH1 2.96Å |
| 487 | L | 96.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 139.9 | -174.5 | -47.4 | 177.2 | 0 | 0 | 0 | 110.4 | I456 A468 L469 Y470 M472 E492 A493 R496 | I456-L487 HydrophobicContact CD1-CD1 4.18Å; A468-L487 WeakPolarHBondContact CA-O 3.28Å; A468-L487 WeakPolarHBondContact CB-O 3.21Å; L469-L487 PolarHBondContact N-O 3.38Å; Y470-L487 PolarHBondContact N-O 2.89Å; Y470-L487 PolarHBondContact O-N 2.89Å; M472-L487 HydrophobicContact CB-CD1 3.99Å; M472-L487 HydrophobicContact CB-CG 4.45Å; L487-E492 HydrophobicContact CB-CB 4.44Å; L487-E492 HydrophobicContact CD2-CB 4.03Å; L487-A493 HydrophobicContact CD1-CB 3.9Å; L487-R496 HydrophobicContact CD2-CB 4.16Å; L487-R496 HydrophobicContact CD2-CG 3.68Å |
| 488 | K | 94.9 | Very high | 93.8 | Very high | 127 Ų | 127 | 39.6 Ų | 39.6 | 55% | 0.552 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -81.5 | -34.4 | 172.3 | -53.6 | -176.8 | 175.2 | 179.4 | 0 | 111.5 | E492 | K488-E492 WeakPolarHBondContact CB-OE1 3.4Å; K488-E492 PolarHBondContact N-OE2 3.1Å |
| 489 | A | 92 | Very high | 93.9 | Very high | 38 Ų | 38 | 42.8 Ų | 42.8 | 31% | 0.314 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -134.5 | 152.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S491 E492 | A489-S491 PolarHBondContact O-N 2.72Å; A489-E492 WeakPolarHBondContact O-CB 3.2Å; A489-E492 PolarHBondContact O-N 3.45Å |
| 490 | K | 89.7 | Confident | 94 | Very high | 87 Ų | 87 | 43 Ų | 43 | 38% | 0.378 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -59.6 | -28.6 | 176.3 | -66.8 | -169.1 | 179.1 | -171.4 | 0 | 112.8 | Y470 E492 A493 | Y470-K490 HydrophobicContact CD1-CG 3.93Å; Y470-K490 HydrophobicContact CD2-CG 4.21Å; Y470-K490 HydrophobicContact CE1-CD 4.06Å; Y470-K490 HydrophobicContact CE1-CG 3.71Å; Y470-K490 HydrophobicContact CE2-CG 4.02Å; Y470-K490 HydrophobicContact CG-CG 4.19Å; K490-E492 PolarHBondContact O-N 3.13Å; K490-A493 WeakPolarHBondContact O-CB 3.49Å; K490-A493 PolarHBondContact O-N 3.25Å; K490-A493 VanDerWaalsContact O-N 3.13Å |
| 491 | S | 89.2 | Confident | 94.2 | Very high | 98 Ų | 98 | 42 Ų | 42 | 69% | 0.685 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -62.8 | -23.1 | 177.9 | 52.2 | 0 | 0 | 0 | 0 | 114.1 | A489 A493 | A489-S491 PolarHBondContact O-N 2.72Å; S491-A493 PolarHBondContact O-N 3.35Å |
| 492 | E | 91.3 | Very high | 94.2 | Very high | 44 Ų | 44 | 48.4 Ų | 48.4 | 21% | 0.206 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -70.8 | -18.2 | 176.3 | -64.9 | 178.2 | -165.4 | 0 | 0 | 112.8 | L487 K488 A489 K490 A494 E495 R496 | L487-E492 HydrophobicContact CB-CB 4.44Å; L487-E492 HydrophobicContact CD2-CB 4.03Å; K488-E492 WeakPolarHBondContact CB-OE1 3.4Å; K488-E492 PolarHBondContact N-OE2 3.1Å; A489-E492 WeakPolarHBondContact O-CB 3.2Å; A489-E492 PolarHBondContact O-N 3.45Å; K490-E492 PolarHBondContact O-N 3.13Å; E492-A494 VanDerWaalsContact C-N 3.27Å; E492-A494 PolarHBondContact O-N 2.77Å; E492-E495 PolarHBondContact O-N 3.26Å; E492-R496 WeakPolarHBondContact O-CG 3.36Å; E492-R496 PolarHBondContact O-N 3.12Å; E492-R496 VanDerWaalsContact O-N 3.09Å; E492-R496 IonicContact OE2-CZ 2.81Å; E492-R496 IonicContact OE2-NH2 2.79Å; E492-R496 PolarHBondContact OE2-NH2 2.98Å; E492-R496 VanDerWaalsContact OE2-NH2 3.15Å |
| 493 | A | 91.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.2 | -40.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I456 M472 L487 K490 S491 R496 L497 E522 | I456-A493 HydrophobicContact CD1-CB 3.48Å; I456-A493 VanDerWaalsContact CD1-CB 3.48Å; M472-A493 HydrophobicContact SD-CB 4.18Å; L487-A493 HydrophobicContact CD1-CB 3.9Å; K490-A493 WeakPolarHBondContact O-CB 3.49Å; K490-A493 PolarHBondContact O-N 3.25Å; K490-A493 VanDerWaalsContact O-N 3.13Å; S491-A493 PolarHBondContact O-N 3.35Å; A493-R496 PolarHBondContact O-N 3.43Å; A493-L497 WeakPolarHBondContact O-CB 3.29Å; A493-L497 PolarHBondContact O-N 2.79Å; A493-E522 HydrophobicContact CB-CB 4.31Å; A493-E522 HydrophobicContact CB-CG 4.45Å |
| 494 | A | 90.8 | Very high | 94.1 | Very high | 18 Ų | 18 | 49.9 Ų | 49.9 | 15% | 0.149 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.8 | -47.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E492 L497 M498 M528 | E492-A494 VanDerWaalsContact C-N 3.27Å; E492-A494 PolarHBondContact O-N 2.77Å; A494-L497 PolarHBondContact O-N 2.86Å; A494-M498 WeakPolarHBondContact O-CG 3.2Å; A494-M498 PolarHBondContact O-N 3.41Å; A494-M498 VanDerWaalsContact O-N 3.16Å; A494-M528 HydrophobicContact CB-CE 3.64Å; A494-M528 WeakPolarHBondContact O-CE 3.46Å |
| 495 | E | 92 | Very high | 94 | Very high | 138 Ų | 138 | 50.3 Ų | 50.3 | 65% | 0.645 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -64.8 | -44.2 | 179.2 | -173.2 | 175.7 | -167.2 | 0 | 0 | 111.7 | E492 L497 M498 E499 | E492-E495 PolarHBondContact O-N 3.26Å; E495-L497 VanDerWaalsContact C-N 3.35Å; E495-L497 PolarHBondContact O-N 3.17Å; E495-M498 PolarHBondContact O-N 2.81Å; E495-E499 PolarHBondContact O-N 2.92Å |
| 496 | R | 94.4 | Very high | 93.9 | Very high | 72 Ų | 72 | 59 Ų | 59 | 27% | 0.272 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.2 | -36.7 | 179.5 | -67.4 | -64.1 | -174.7 | 73.7 | 17.7 | 112.6 | M472 M485 C486 L487 E492 A493 E499 F500 | M472-R496 HydrophobicContact CE-CB 3.61Å; M485-R496 HydrophobicContact SD-CB 3.78Å; M485-R496 VanDerWaalsContact SD-O 3.4Å; C486-R496 PolarHBondContact O-NH1 2.96Å; L487-R496 HydrophobicContact CD2-CB 4.16Å; L487-R496 HydrophobicContact CD2-CG 3.68Å; E492-R496 WeakPolarHBondContact O-CG 3.36Å; E492-R496 PolarHBondContact O-N 3.12Å; E492-R496 VanDerWaalsContact O-N 3.09Å; E492-R496 IonicContact OE2-CZ 2.81Å; E492-R496 IonicContact OE2-NH2 2.79Å; E492-R496 PolarHBondContact OE2-NH2 2.98Å; E492-R496 VanDerWaalsContact OE2-NH2 3.15Å; A493-R496 PolarHBondContact O-N 3.43Å; R496-E499 WeakPolarHBondContact O-CB 3.32Å; R496-E499 PolarHBondContact O-N 3.05Å; R496-F500 PolarHBondContact O-N 3.02Å |
| 497 | L | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 175.7 | -178.6 | 62.4 | 0 | 0 | 0 | 111.2 | M472 I474 A493 A494 E495 E499 F500 I501 I515 Y523 M528 F532 | M472-L497 HydrophobicContact CE-CB 4.19Å; M472-L497 HydrophobicContact SD-CB 4.21Å; I474-L497 HydrophobicContact CD1-CD1 3.81Å; I474-L497 HydrophobicContact CG1-CD1 4.31Å; A493-L497 WeakPolarHBondContact O-CB 3.29Å; A493-L497 PolarHBondContact O-N 2.79Å; A494-L497 PolarHBondContact O-N 2.86Å; E495-L497 VanDerWaalsContact C-N 3.35Å; E495-L497 PolarHBondContact O-N 3.17Å; L497-E499 VanDerWaalsContact C-N 3.35Å; L497-F500 HydrophobicContact CD1-CD1 4.11Å; L497-F500 WeakPolarHBondContact O-CB 3.36Å; L497-F500 PolarHBondContact O-N 2.7Å; L497-I501 HydrophobicContact CG-CD1 4.22Å; L497-I501 WeakPolarHBondContact O-CD1 3.37Å; L497-I501 VanDerWaalsContact O-CG1 3.27Å; L497-I501 WeakPolarHBondContact O-CG1 3.16Å; L497-I501 PolarHBondContact O-N 3.39Å; L497-I515 HydrophobicContact CD2-CG2 4.48Å; L497-Y523 HydrophobicContact CD2-CD1 4Å; L497-Y523 HydrophobicContact CD2-CE1 4.02Å; L497-M528 HydrophobicContact CB-CE 4Å; L497-M528 HydrophobicContact CD2-CE 3.9Å; L497-M528 HydrophobicContact CD2-SD 4.36Å; L497-M528 HydrophobicContact CG-CE 4.29Å; L497-F532 HydrophobicContact CD2-CZ 4.05Å |
| 498 | M | 94.2 | Very high | 93.4 | Very high | 20 Ų | 20 | 64 Ų | 64 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.2 | -40 | 173.3 | -69.6 | -172.7 | -74.5 | 0 | 0 | 112.2 | A494 E495 I501 R502 I527 M528 F531 | A494-M498 WeakPolarHBondContact O-CG 3.2Å; A494-M498 PolarHBondContact O-N 3.41Å; A494-M498 VanDerWaalsContact O-N 3.16Å; E495-M498 PolarHBondContact O-N 2.81Å; M498-I501 PolarHBondContact O-N 2.92Å; M498-R502 WeakPolarHBondContact O-CG 3.37Å; M498-R502 PolarHBondContact O-N 2.89Å; M498-R502 VanDerWaalsContact O-N 3.15Å; M498-I527 HydrophobicContact CE-CG2 3.89Å; M498-I527 HydrophobicContact SD-CG2 4.47Å; M498-M528 HydrophobicContact CG-CE 4.21Å; M498-M528 HydrophobicContact CG-SD 4.18Å; M498-F531 HydrophobicContact CB-CE1 4.38Å; M498-F531 HydrophobicContact CB-CZ 4.43Å; M498-F531 HydrophobicContact CG-CB 4.41Å; M498-F531 HydrophobicContact CG-CD1 3.66Å; M498-F531 HydrophobicContact CG-CD2 4.22Å; M498-F531 HydrophobicContact CG-CE1 3.93Å; M498-F531 HydrophobicContact CG-CE2 4.45Å; M498-F531 HydrophobicContact CG-CG 3.82Å; M498-F531 HydrophobicContact CG-CZ 4.32Å; M498-F531 HydrophobicContact SD-CB 3.73Å; M498-F531 HydrophobicContact SD-CD1 4.05Å; M498-F531 HydrophobicContact SD-CD2 3.75Å; M498-F531 HydrophobicContact SD-CE2 4.41Å; M498-F531 HydrophobicContact SD-CG 3.55Å; M498-F531 VanDerWaalsContact SD-CG 3.55Å |
| 499 | E | 94.5 | Very high | 93.2 | Very high | 109 Ų | 109 | 61 Ų | 61 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 173.5 | -173.4 | -172.1 | 168.5 | 0 | 0 | 111.3 | E495 R496 L497 I501 R502 M503 | E495-E499 PolarHBondContact O-N 2.92Å; R496-E499 WeakPolarHBondContact O-CB 3.32Å; R496-E499 PolarHBondContact O-N 3.05Å; L497-E499 VanDerWaalsContact C-N 3.35Å; E499-I501 PolarHBondContact O-N 2.9Å; E499-R502 PolarHBondContact O-N 2.91Å; E499-M503 WeakPolarHBondContact O-CB 3.21Å; E499-M503 PolarHBondContact O-N 3.33Å |
| 500 | F | 95.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 62.7 Ų | 62.7 | 1% | 0.013 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56 | -50.5 | 175.1 | 162.4 | -102.6 | 0 | 0 | 0 | 111.8 | L449 V452 I474 I483 M485 R496 L497 R502 M503 A504 W605 | L449-F500 HydrophobicContact CD2-CZ 4.48Å; V452-F500 HydrophobicContact CG1-CE1 4.01Å; V452-F500 HydrophobicContact CG1-CZ 4.47Å; I474-F500 HydrophobicContact CD1-CB 3.65Å; I474-F500 HydrophobicContact CD1-CD1 3.77Å; I474-F500 HydrophobicContact CD1-CD2 4.18Å; I474-F500 HydrophobicContact CD1-CG 3.55Å; I474-F500 HydrophobicContact CG2-CD1 3.78Å; I474-F500 HydrophobicContact CG2-CD2 4.37Å; I474-F500 HydrophobicContact CG2-CE1 3.48Å; I474-F500 VanDerWaalsContact CG2-CE1 3.48Å; I474-F500 HydrophobicContact CG2-CE2 4.12Å; I474-F500 HydrophobicContact CG2-CG 4.21Å; I474-F500 HydrophobicContact CG2-CZ 3.65Å; I483-F500 HydrophobicContact CD1-CD2 3.76Å; I483-F500 HydrophobicContact CD1-CE2 3.27Å; I483-F500 HydrophobicContact CD1-CZ 4.3Å; I483-F500 HydrophobicContact CG2-CD2 4.43Å; M485-F500 HydrophobicContact CE-CB 3.63Å; M485-F500 HydrophobicContact SD-CB 4.35Å; R496-F500 PolarHBondContact O-N 3.02Å; L497-F500 HydrophobicContact CD1-CD1 4.11Å; L497-F500 WeakPolarHBondContact O-CB 3.36Å; L497-F500 PolarHBondContact O-N 2.7Å; F500-R502 PolarHBondContact O-N 3.21Å; F500-M503 HydrophobicContact CD2-CE 4.03Å; F500-M503 HydrophobicContact CE2-CE 4.46Å; F500-M503 PolarHBondContact O-N 3.28Å; F500-A504 HydrophobicContact CD2-CB 4.23Å; F500-A504 HydrophobicContact CE1-CB 4.35Å; F500-A504 HydrophobicContact CE2-CB 3.64Å; F500-A504 HydrophobicContact CZ-CB 3.73Å; F500-A504 VanDerWaalsContact O-CB 3.27Å; F500-A504 WeakPolarHBondContact O-CB 3.19Å; F500-A504 PolarHBondContact O-N 3.38Å; F500-W605 HydrophobicContact CE2-CH2 4.2Å; F500-W605 HydrophobicContact CZ-CH2 4.18Å |
| 501 | I | 96.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.1 | -51.3 | -177.1 | -68.4 | 161.3 | 0 | 0 | 0 | 109.7 | L497 M498 E499 M503 A504 E505 V512 I515 F531 F532 I537 | L497-I501 HydrophobicContact CG-CD1 4.22Å; L497-I501 WeakPolarHBondContact O-CD1 3.37Å; L497-I501 VanDerWaalsContact O-CG1 3.27Å; L497-I501 WeakPolarHBondContact O-CG1 3.16Å; L497-I501 PolarHBondContact O-N 3.39Å; M498-I501 PolarHBondContact O-N 2.92Å; E499-I501 PolarHBondContact O-N 2.9Å; I501-M503 VanDerWaalsContact C-N 3.32Å; I501-M503 PolarHBondContact O-N 3.1Å; I501-A504 PolarHBondContact O-N 3.45Å; I501-E505 HydrophobicContact CG2-CG 4.32Å; I501-E505 VanDerWaalsContact O-CG 3.3Å; I501-E505 WeakPolarHBondContact O-CG 3.25Å; I501-E505 PolarHBondContact O-N 2.9Å; I501-V512 HydrophobicContact CG1-CG2 4.4Å; I501-V512 HydrophobicContact CG2-CB 4.42Å; I501-V512 HydrophobicContact CG2-CG2 4.01Å; I501-I515 HydrophobicContact CD1-CD1 3.44Å; I501-I515 VanDerWaalsContact CD1-CD1 3.44Å; I501-I515 HydrophobicContact CG1-CD1 4Å; I501-F531 HydrophobicContact CB-CE1 4.45Å; I501-F531 HydrophobicContact CD1-CD1 4.47Å; I501-F531 HydrophobicContact CD1-CE1 3.79Å; I501-F531 HydrophobicContact CG2-CE1 4.24Å; I501-F531 HydrophobicContact CG2-CZ 4.4Å; I501-F532 HydrophobicContact CD1-CE1 3.81Å; I501-I537 HydrophobicContact CD1-CD1 4.2Å; I501-I537 HydrophobicContact CG2-CD1 4.07Å |
| 502 | R | 95.9 | Very high | 93.8 | Very high | 151 Ų | 151 | 60.9 Ų | 60.9 | 57% | 0.57 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59.1 | -43.2 | 179.2 | -68.8 | 172.9 | -177.9 | 147.6 | 0.9 | 112.1 | M498 E499 F500 R506 | M498-R502 WeakPolarHBondContact O-CG 3.37Å; M498-R502 PolarHBondContact O-N 2.89Å; M498-R502 VanDerWaalsContact O-N 3.15Å; E499-R502 PolarHBondContact O-N 2.91Å; F500-R502 PolarHBondContact O-N 3.21Å; R502-R506 WeakPolarHBondContact O-CB 3.18Å; R502-R506 PolarHBondContact O-N 2.93Å |
| 503 | M | 95.2 | Very high | 94 | Very high | 59 Ų | 59 | 64.1 Ų | 64.1 | 29% | 0.291 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.5 | -49.1 | 177.1 | -178 | -158.2 | 67.7 | 0 | 0 | 111.4 | I483 E499 F500 I501 R506 Q507 | I483-M503 HydrophobicContact CD1-CE 4.49Å; E499-M503 WeakPolarHBondContact O-CB 3.21Å; E499-M503 PolarHBondContact O-N 3.33Å; F500-M503 HydrophobicContact CD2-CE 4.03Å; F500-M503 HydrophobicContact CE2-CE 4.46Å; F500-M503 PolarHBondContact O-N 3.28Å; I501-M503 VanDerWaalsContact C-N 3.32Å; I501-M503 PolarHBondContact O-N 3.1Å; M503-R506 PolarHBondContact O-N 3.35Å; M503-Q507 HydrophobicContact CG-CG 4.38Å; M503-Q507 WeakPolarHBondContact O-CB 3.44Å; M503-Q507 WeakPolarHBondContact O-CG 3.5Å; M503-Q507 PolarHBondContact O-N 3.43Å |
| 504 | A | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.5 | -42.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L449 F500 I501 R506 Q507 T508 W605 | L449-A504 HydrophobicContact CD1-CB 4.14Å; L449-A504 HydrophobicContact CD2-CB 4.15Å; F500-A504 HydrophobicContact CD2-CB 4.23Å; F500-A504 HydrophobicContact CE1-CB 4.35Å; F500-A504 HydrophobicContact CE2-CB 3.64Å; F500-A504 HydrophobicContact CZ-CB 3.73Å; F500-A504 VanDerWaalsContact O-CB 3.27Å; F500-A504 WeakPolarHBondContact O-CB 3.19Å; F500-A504 PolarHBondContact O-N 3.38Å; I501-A504 PolarHBondContact O-N 3.45Å; A504-R506 VanDerWaalsContact C-N 3.32Å; A504-R506 PolarHBondContact O-N 2.91Å; A504-Q507 PolarHBondContact O-N 3.36Å; A504-T508 WeakPolarHBondContact O-CB 3.21Å; A504-T508 WeakPolarHBondContact O-CG2 3.38Å; A504-T508 PolarHBondContact O-N 3.17Å; A504-T508 PolarHBondContact O-OG1 3.03Å; A504-W605 HydrophobicContact CB-CH2 3.88Å; A504-W605 HydrophobicContact CB-CZ2 3.8Å |
| 505 | E | 96.1 | Very high | 94.3 | Very high | 31 Ų | 31 | 64.3 Ų | 64.3 | 15% | 0.145 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 176.3 | -67.4 | -168.4 | 155.7 | 0 | 0 | 111.7 | L449 I501 G509 Q510 K511 V512 | L449-E505 HydrophobicContact CD1-CG 4.38Å; I501-E505 HydrophobicContact CG2-CG 4.32Å; I501-E505 VanDerWaalsContact O-CG 3.3Å; I501-E505 WeakPolarHBondContact O-CG 3.25Å; I501-E505 PolarHBondContact O-N 2.9Å; E505-G509 VanDerWaalsContact O-CA 3.3Å; E505-G509 WeakPolarHBondContact O-CA 3.48Å; E505-G509 PolarHBondContact O-N 2.85Å; E505-Q510 WeakPolarHBondContact CA-O 3.39Å; E505-Q510 WeakPolarHBondContact CB-O 3.27Å; E505-Q510 WeakPolarHBondContact CG-O 3.31Å; E505-K511 HydrophobicContact CG-CD 4.19Å; E505-K511 WeakPolarHBondContact OE1-CA 3.12Å; E505-K511 VanDerWaalsContact OE1-CD 3.23Å; E505-K511 WeakPolarHBondContact OE1-CD 3.46Å; E505-K511 VanDerWaalsContact OE2-CD 3.26Å; E505-K511 WeakPolarHBondContact OE2-CD 3.42Å; E505-K511 IonicContact OE2-NZ 3.44Å; E505-K511 PolarHBondContact OE2-NZ 3.02Å; E505-V512 HydrophobicContact CG-CG2 4.13Å; E505-V512 PolarHBondContact OE1-N 3.38Å |
| 506 | R | 94.1 | Very high | 94.3 | Very high | 211 Ų | 211 | 59.5 Ų | 59.5 | 80% | 0.796 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -68.9 | -38.3 | 176.9 | -174.4 | 170.4 | 61.7 | 163.7 | -0.8 | 112.7 | R502 M503 A504 | R502-R506 WeakPolarHBondContact O-CB 3.18Å; R502-R506 PolarHBondContact O-N 2.93Å; M503-R506 PolarHBondContact O-N 3.35Å; A504-R506 VanDerWaalsContact C-N 3.32Å; A504-R506 PolarHBondContact O-N 2.91Å |
| 507 | Q | 90.2 | Very high | 94.1 | Very high | 108 Ų | 108 | 56 Ų | 56 | 51% | 0.505 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -69.9 | -39.5 | 179.3 | -78.6 | -178.9 | -4.5 | 0 | 0 | 112.8 | M503 A504 | M503-Q507 HydrophobicContact CG-CG 4.38Å; M503-Q507 WeakPolarHBondContact O-CB 3.44Å; M503-Q507 WeakPolarHBondContact O-CG 3.5Å; M503-Q507 PolarHBondContact O-N 3.43Å; A504-Q507 PolarHBondContact O-N 3.36Å |
| 508 | T | 91.8 | Very high | 93.6 | Very high | 29 Ų | 29 | 58 Ų | 58 | 18% | 0.178 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -97.1 | -19.7 | -172.8 | 62.7 | 0 | 0 | 0 | 0 | 113.4 | V448 L449 A504 Q510 W605 | V448-T508 HydrophobicContact CG2-CG2 4.22Å; L449-T508 HydrophobicContact CD1-CG2 4.45Å; L449-T508 VanDerWaalsContact CD1-OG1 3.27Å; L449-T508 WeakPolarHBondContact CD1-OG1 3.42Å; A504-T508 WeakPolarHBondContact O-CB 3.21Å; A504-T508 WeakPolarHBondContact O-CG2 3.38Å; A504-T508 PolarHBondContact O-N 3.17Å; A504-T508 PolarHBondContact O-OG1 3.03Å; T508-Q510 PolarHBondContact O-N 2.92Å; T508-Q510 PolarHBondContact OG1-N 3.35Å; T508-W605 HydrophobicContact CG2-CD2 4.1Å; T508-W605 HydrophobicContact CG2-CH2 4.42Å; T508-W605 HydrophobicContact CG2-CZ2 3.88Å |
| 509 | G | 90.3 | Very high | 92.9 | Very high | 63 Ų | 63 | 60 Ų | 60 | 65% | 0.649 | 28% | 0.284 | S | S | * | . | S | Bend | trans | 65.9 | 10.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E505 | E505-G509 VanDerWaalsContact O-CA 3.3Å; E505-G509 WeakPolarHBondContact O-CA 3.48Å; E505-G509 PolarHBondContact O-N 2.85Å |
| 510 | Q | 93.3 | Very high | 91.9 | Very high | 74 Ų | 74 | 55.3 Ų | 55.3 | 35% | 0.346 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -102.2 | 159.9 | 173.3 | -59.8 | -58.9 | -50 | 0 | 0 | 109.9 | V448 L449 E505 T508 | V448-Q510 HydrophobicContact CG2-CB 4.34Å; V448-Q510 HydrophobicContact CG2-CG 3.86Å; L449-Q510 HydrophobicContact CB-CB 4.42Å; L449-Q510 HydrophobicContact CD1-CB 4.23Å; E505-Q510 WeakPolarHBondContact CA-O 3.39Å; E505-Q510 WeakPolarHBondContact CB-O 3.27Å; E505-Q510 WeakPolarHBondContact CG-O 3.31Å; T508-Q510 PolarHBondContact O-N 2.92Å; T508-Q510 PolarHBondContact OG1-N 3.35Å |
| 511 | K | 94.1 | Very high | 90.9 | Very high | 141 Ų | 141 | 62.3 Ų | 62.3 | 61% | 0.613 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -101.7 | 142.6 | 175.8 | -68.1 | -64.2 | -173.9 | 170.8 | 0 | 110.5 | E505 K513 | E505-K511 HydrophobicContact CG-CD 4.19Å; E505-K511 WeakPolarHBondContact OE1-CA 3.12Å; E505-K511 VanDerWaalsContact OE1-CD 3.23Å; E505-K511 WeakPolarHBondContact OE1-CD 3.46Å; E505-K511 VanDerWaalsContact OE2-CD 3.26Å; E505-K511 WeakPolarHBondContact OE2-CD 3.42Å; E505-K511 IonicContact OE2-NZ 3.44Å; E505-K511 PolarHBondContact OE2-NZ 3.02Å; K511-K513 PolarHBondContact O-N 2.73Å |
| 512 | V | 96.5 | Very high | 90 | Very high | 5 Ų | 5 | 64.1 Ų | 64.1 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 120.1 | 170.7 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | L449 V452 I501 E505 I515 I537 | L449-V512 HydrophobicContact CB-CG2 4.21Å; L449-V512 HydrophobicContact CD1-CG2 4.08Å; L449-V512 HydrophobicContact CD2-CG2 4.15Å; L449-V512 HydrophobicContact CG-CG2 4.39Å; L449-V512 WeakPolarHBondContact O-CA 3.47Å; V452-V512 HydrophobicContact CG2-CG1 4.28Å; I501-V512 HydrophobicContact CG1-CG2 4.4Å; I501-V512 HydrophobicContact CG2-CB 4.42Å; I501-V512 HydrophobicContact CG2-CG2 4.01Å; E505-V512 HydrophobicContact CG-CG2 4.13Å; E505-V512 PolarHBondContact OE1-N 3.38Å; V512-I515 HydrophobicContact CG1-CD1 3.97Å; V512-I515 HydrophobicContact CG1-CG1 3.59Å; V512-I537 HydrophobicContact CB-CD1 4.26Å; V512-I537 HydrophobicContact CG1-CD1 4.48Å; V512-I537 HydrophobicContact CG1-CG2 4.31Å |
| 513 | K | 95.7 | Very high | 89.1 | Confident | 112 Ų | 112 | 56.9 Ų | 56.9 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | trans | -91.3 | -49.1 | 179.7 | -61 | -176.6 | -177.5 | 171.8 | 0 | 111.7 | L449 E450 K511 K538 | L449-K513 PolarHBondContact O-N 3.15Å; E450-K513 HydrophobicContact CB-CD 4.43Å; E450-K513 HydrophobicContact CG-CD 4.1Å; E450-K513 IonicContact OE1-NZ 2.75Å; E450-K513 PolarHBondContact OE1-NZ 3.43Å; K511-K513 PolarHBondContact O-N 2.73Å; K513-K538 PolarHBondContact O-N 3.43Å | ||
| 514 | T | 94.6 | Very high | 87.9 | Confident | 22 Ų | 22 | 56 Ų | 56 | 14% | 0.135 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 136 | -175.9 | -54.2 | 0 | 0 | 0 | 0 | 110.5 | E450 L451 V452 K538 E540 | E450-T514 PolarHBondContact O-N 2.95Å; L451-T514 WeakPolarHBondContact CA-O 3.37Å; L451-T514 HydrophobicContact CD1-CG2 3.7Å; V452-T514 PolarHBondContact N-O 2.92Å; T514-K538 CarbonylContact C-O 3.13Å; T514-K538 VanDerWaalsContact CA-O 3.23Å; T514-K538 WeakPolarHBondContact CA-O 3.37Å; T514-K538 HydrophobicContact CG2-CB 4.2Å; T514-K538 HydrophobicContact CG2-CD 4.28Å; T514-K538 HydrophobicContact CG2-CG 4.38Å; T514-K538 WeakPolarHBondContact CG2-O 3.31Å; T514-E540 HydrophobicContact CG2-CB 4.36Å; T514-E540 VanDerWaalsContact CG2-CD 3.49Å; T514-E540 HydrophobicContact CG2-CG 3.67Å |
| 515 | I | 93.9 | Very high | 87 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.1 | 170.1 | -64.2 | 177.9 | 0 | 0 | 0 | 108.2 | V452 L497 I501 V512 T517 F532 I537 K538 H539 E540 | V452-I515 HydrophobicContact CB-CG1 4.41Å; V452-I515 CarbonylContact O-C 3.55Å; V452-I515 WeakPolarHBondContact O-CA 3.45Å; L497-I515 HydrophobicContact CD2-CG2 4.48Å; I501-I515 HydrophobicContact CD1-CD1 3.44Å; I501-I515 VanDerWaalsContact CD1-CD1 3.44Å; I501-I515 HydrophobicContact CG1-CD1 4Å; V512-I515 HydrophobicContact CG1-CD1 3.97Å; V512-I515 HydrophobicContact CG1-CG1 3.59Å; I515-T517 HydrophobicContact CG2-CG2 3.83Å; I515-F532 HydrophobicContact CB-CZ 4.5Å; I515-F532 HydrophobicContact CD1-CD1 4.47Å; I515-F532 HydrophobicContact CD1-CE1 3.59Å; I515-F532 HydrophobicContact CD1-CZ 3.75Å; I515-F532 HydrophobicContact CG2-CZ 4.48Å; I515-I537 HydrophobicContact CB-CG2 4.4Å; I515-I537 HydrophobicContact CD1-CG2 3.99Å; I515-I537 HydrophobicContact CG1-CG2 3.88Å; I515-K538 PolarHBondContact N-O 3.37Å; I515-H539 CarbonylContact O-C 3.57Å; I515-H539 WeakPolarHBondContact O-CA 3.33Å; I515-E540 PolarHBondContact O-N 3.26Å |
| 516 | R | 91.7 | Very high | 86.4 | Confident | 37 Ų | 37 | 60.6 Ų | 60.6 | 14% | 0.14 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 123.6 | 173.8 | -168.2 | 174.5 | -63.9 | 151.2 | 3.9 | 110.4 | L451 V452 H453 S454 E540 M549 | L451-R516 HydrophobicContact CD1-CB 4.07Å; V452-R516 PolarHBondContact O-N 2.87Å; H453-R516 CarbonylContact C-O 3.59Å; H453-R516 WeakPolarHBondContact CA-O 3.36Å; H453-R516 PolarHBondContact CE1-NH1 3.09Å; S454-R516 PolarHBondContact N-O 3.22Å; R516-E540 CarbonylContact C-O 3.57Å; R516-E540 WeakPolarHBondContact CA-O 3.31Å; R516-E540 HydrophobicContact CB-CB 4.31Å; R516-E540 HydrophobicContact CG-CB 4.16Å; R516-E540 IonicContact CZ-OE2 2.75Å; R516-E540 VanDerWaalsContact CZ-OE2 3.3Å; R516-E540 IonicContact NE-OE2 3.95Å; R516-E540 PolarHBondContact NE-OE2 2.77Å; R516-E540 VanDerWaalsContact NE-OE2 3.09Å; R516-E540 IonicContact NH2-OE2 3.88Å; R516-E540 PolarHBondContact NH2-OE2 2.89Å; R516-M549 WeakPolarHBondContact CD-O 3.49Å; R516-M549 PolarHBondContact NH1-O 2.92Å |
| 517 | T | 90.9 | Very high | 86 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 171.3 | 175.9 | 70.4 | 0 | 0 | 0 | 0 | 110.1 | I515 Y523 H539 E540 R541 S542 | I515-T517 HydrophobicContact CG2-CG2 3.83Å; T517-Y523 HydrophobicContact CG2-CD1 3.78Å; T517-Y523 HydrophobicContact CG2-CD2 4.12Å; T517-Y523 HydrophobicContact CG2-CE1 4.1Å; T517-Y523 HydrophobicContact CG2-CE2 4.42Å; T517-Y523 HydrophobicContact CG2-CG 3.78Å; T517-H539 PolarHBondContact OG1-NE2 3.23Å; T517-E540 PolarHBondContact N-O 2.78Å; T517-R541 CarbonylContact O-C 3.51Å; T517-R541 WeakPolarHBondContact O-CA 3.45Å; T517-S542 PolarHBondContact O-N 3.26Å |
| 518 | D | 84.3 | Confident | 85.8 | Confident | 40 Ų | 40 | 51.1 Ų | 51.1 | 21% | 0.214 | 29% | 0.286 | C | S | . | . | trans | -68.8 | 177.2 | 160.7 | 66.7 | -13.6 | 0 | 0 | 0 | 111.2 | G520 Y523 S542 | D518-G520 PolarHBondContact O-N 3.11Å; D518-G520 PolarHBondContact OD1-N 3.16Å; D518-Y523 WeakPolarHBondContact OD1-CD2 3.48Å; D518-Y523 VanDerWaalsContact OD1-CE2 3.23Å; D518-Y523 WeakPolarHBondContact OD1-CE2 3.47Å; D518-S542 WeakPolarHBondContact CA-OG 3.16Å | ||
| 519 | N | 78.5 | Confident | 85.6 | Confident | 62 Ų | 62 | 52.5 Ų | 52.5 | 33% | 0.332 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -76.7 | 18.3 | 172.5 | -82.6 | -32.8 | 0 | 0 | 0 | 113.2 | L521 R541 S542 | N519-L521 PolarHBondContact O-N 3.42Å; N519-R541 VanDerWaalsContact OD1-CB 3.29Å; N519-R541 WeakPolarHBondContact OD1-CB 3.12Å; N519-S542 PolarHBondContact ND2-O 2.75Å; N519-S542 PolarHBondContact OD1-O 2.8Å |
| 520 | G | 74.6 | Confident | 85.6 | Confident | 11 Ų | 11 | 52 Ų | 52 | 11% | 0.113 | 28% | 0.283 | C | S | . | . | trans | -54.6 | 135.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D518 E522 Y523 C524 | D518-G520 PolarHBondContact O-N 3.11Å; D518-G520 PolarHBondContact OD1-N 3.16Å; G520-E522 VanDerWaalsContact C-OE2 3.24Å; G520-E522 VanDerWaalsContact CA-OE2 3.3Å; G520-E522 WeakPolarHBondContact CA-OE2 3.18Å; G520-E522 PolarHBondContact O-N 3.42Å; G520-Y523 PolarHBondContact O-N 2.97Å; G520-C524 PolarHBondContact O-N 2.98Å; G520-C524 PolarHBondContact O-SG 2.89Å; G520-C524 VanDerWaalsContact O-SG 3.35Å | ||
| 521 | L | 74.3 | Confident | 85.5 | Confident | 151 Ų | 151 | 50 Ų | 50 | 79% | 0.791 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -26.2 | 179.4 | -68.4 | 176.1 | 0 | 0 | 0 | 111.7 | N519 Y523 C524 G525 | N519-L521 PolarHBondContact O-N 3.42Å; L521-Y523 VanDerWaalsContact C-N 3.27Å; L521-Y523 PolarHBondContact O-N 3.49Å; L521-C524 PolarHBondContact O-N 3.45Å; L521-C524 VanDerWaalsContact O-N 3.17Å; L521-G525 PolarHBondContact O-N 3.47Å |
| 522 | E | 78.6 | Confident | 85.5 | Confident | 39 Ų | 39 | 43.5 Ų | 43.5 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -31.7 | 175.1 | 58.4 | -96.1 | -131.6 | 0 | 0 | 113.9 | I456 A493 G520 | I456-E522 HydrophobicContact CD1-CG 3.73Å; A493-E522 HydrophobicContact CB-CB 4.31Å; A493-E522 HydrophobicContact CB-CG 4.45Å; G520-E522 VanDerWaalsContact C-OE2 3.24Å; G520-E522 VanDerWaalsContact CA-OE2 3.3Å; G520-E522 WeakPolarHBondContact CA-OE2 3.18Å; G520-E522 PolarHBondContact O-N 3.42Å |
| 523 | Y | 75.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -19.7 | 177 | -61.7 | -68.8 | 0 | 0 | 0 | 112 | S454 I456 M472 L497 T517 D518 G520 L521 M528 | S454-Y523 PolarHBondContact OG-OH 2.76Å; I456-Y523 HydrophobicContact CD1-CE2 4.33Å; I456-Y523 HydrophobicContact CG1-CE2 4.12Å; I456-Y523 VanDerWaalsContact CG1-OH 3.25Å; I456-Y523 WeakPolarHBondContact CG1-OH 3.35Å; M472-Y523 HydrophobicContact SD-CE1 4.03Å; L497-Y523 HydrophobicContact CD2-CD1 4Å; L497-Y523 HydrophobicContact CD2-CE1 4.02Å; T517-Y523 HydrophobicContact CG2-CD1 3.78Å; T517-Y523 HydrophobicContact CG2-CD2 4.12Å; T517-Y523 HydrophobicContact CG2-CE1 4.1Å; T517-Y523 HydrophobicContact CG2-CE2 4.42Å; T517-Y523 HydrophobicContact CG2-CG 3.78Å; D518-Y523 WeakPolarHBondContact OD1-CD2 3.48Å; D518-Y523 VanDerWaalsContact OD1-CE2 3.23Å; D518-Y523 WeakPolarHBondContact OD1-CE2 3.47Å; G520-Y523 PolarHBondContact O-N 2.97Å; L521-Y523 VanDerWaalsContact C-N 3.27Å; L521-Y523 PolarHBondContact O-N 3.49Å; Y523-M528 WeakPolarHBondContact O-CG 3.07Å |
| 524 | C | 70 | Confident | 85.1 | Confident | 41 Ų | 41 | 54.9 Ų | 54.9 | 28% | 0.277 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -92.7 | 12.1 | -175.5 | -62.2 | 0 | 0 | 0 | 0 | 114 | G520 L521 | G520-C524 PolarHBondContact O-N 2.98Å; G520-C524 PolarHBondContact O-SG 2.89Å; G520-C524 VanDerWaalsContact O-SG 3.35Å; L521-C524 PolarHBondContact O-N 3.45Å; L521-C524 VanDerWaalsContact O-N 3.17Å |
| 525 | G | 77.6 | Confident | 85 | Confident | 30 Ų | 30 | 56.5 Ų | 56.5 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -65 | 154.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | L521 I527 M528 S529 | L521-G525 PolarHBondContact O-N 3.47Å; G525-I527 VanDerWaalsContact C-N 3.27Å; G525-I527 PolarHBondContact O-N 3.35Å; G525-M528 PolarHBondContact O-N 2.91Å; G525-S529 PolarHBondContact O-N 2.91Å; G525-S529 PolarHBondContact O-OG 3.38Å |
| 526 | T | 82.9 | Confident | 84.9 | Confident | 96 Ų | 96 | 59.6 Ų | 59.6 | 59% | 0.589 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -59.4 | -37.9 | 176.9 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | S530 V894 | T526-S530 VanDerWaalsContact O-CB 3.25Å; T526-S530 WeakPolarHBondContact O-CB 3.38Å; T526-S530 PolarHBondContact O-N 2.92Å; T526-V894 HydrophobicContact CG2-CG1 4.4Å; T526-V894 HydrophobicContact CG2-CG2 4.4Å |
| 527 | I | 86.5 | Confident | 85.1 | Confident | 119 Ų | 119 | 58.4 Ų | 58.4 | 61% | 0.61 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.3 | -48.9 | 178.1 | -62.1 | 172.8 | 0 | 0 | 0 | 110.6 | M498 G525 S530 F531 | M498-I527 HydrophobicContact CE-CG2 3.89Å; M498-I527 HydrophobicContact SD-CG2 4.47Å; G525-I527 VanDerWaalsContact C-N 3.27Å; G525-I527 PolarHBondContact O-N 3.35Å; I527-S530 PolarHBondContact O-N 2.83Å; I527-F531 WeakPolarHBondContact O-CB 3.35Å; I527-F531 PolarHBondContact O-N 2.91Å |
| 528 | M | 86.2 | Confident | 85.2 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.6 | -47.1 | -178.8 | -173.6 | 60 | 75.2 | 0 | 0 | 111.6 | A494 L497 M498 Y523 G525 S530 F531 F532 | A494-M528 HydrophobicContact CB-CE 3.64Å; A494-M528 WeakPolarHBondContact O-CE 3.46Å; L497-M528 HydrophobicContact CB-CE 4Å; L497-M528 HydrophobicContact CD2-CE 3.9Å; L497-M528 HydrophobicContact CD2-SD 4.36Å; L497-M528 HydrophobicContact CG-CE 4.29Å; M498-M528 HydrophobicContact CG-CE 4.21Å; M498-M528 HydrophobicContact CG-SD 4.18Å; Y523-M528 WeakPolarHBondContact O-CG 3.07Å; G525-M528 PolarHBondContact O-N 2.91Å; M528-S530 VanDerWaalsContact C-N 3.29Å; M528-S530 PolarHBondContact O-N 3.21Å; M528-F531 WeakPolarHBondContact O-CB 3.47Å; M528-F531 PolarHBondContact O-N 2.88Å; M528-F531 VanDerWaalsContact O-N 3.11Å; M528-F532 HydrophobicContact CE-CZ 4.43Å; M528-F532 HydrophobicContact CG-CD2 3.91Å; M528-F532 HydrophobicContact CG-CE1 4.09Å; M528-F532 HydrophobicContact CG-CE2 3.41Å; M528-F532 VanDerWaalsContact CG-CE2 3.41Å; M528-F532 HydrophobicContact CG-CG 4.48Å; M528-F532 HydrophobicContact CG-CZ 3.52Å; M528-F532 WeakPolarHBondContact O-CG 3.44Å; M528-F532 PolarHBondContact O-N 2.84Å; M528-F532 HydrophobicContact SD-CD1 3.99Å; M528-F532 HydrophobicContact SD-CD2 4.36Å; M528-F532 HydrophobicContact SD-CE1 3.29Å; M528-F532 WeakPolarHBondContact SD-CE1 3.18Å; M528-F532 HydrophobicContact SD-CE2 3.77Å; M528-F532 HydrophobicContact SD-CG 4.48Å; M528-F532 HydrophobicContact SD-CZ 3.18Å; M528-F532 WeakPolarHBondContact SD-CZ 3.38Å |
| 529 | S | 87.6 | Confident | 85.6 | Confident | 58 Ų | 58 | 64.6 Ų | 64.6 | 41% | 0.406 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.7 | -41.5 | 177.7 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | G525 K533 | G525-S529 PolarHBondContact O-N 2.91Å; G525-S529 PolarHBondContact O-OG 3.38Å; S529-K533 VanDerWaalsContact O-CB 3.32Å; S529-K533 WeakPolarHBondContact O-CB 3.49Å; S529-K533 PolarHBondContact O-N 3.29Å |
| 530 | S | 89.4 | Confident | 86.1 | Confident | 53 Ų | 53 | 63.8 Ų | 63.8 | 37% | 0.371 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 174.9 | -174.1 | 0 | 0 | 0 | 0 | 112 | T526 I527 M528 K533 K534 | T526-S530 VanDerWaalsContact O-CB 3.25Å; T526-S530 WeakPolarHBondContact O-CB 3.38Å; T526-S530 PolarHBondContact O-N 2.92Å; I527-S530 PolarHBondContact O-N 2.83Å; M528-S530 VanDerWaalsContact C-N 3.29Å; M528-S530 PolarHBondContact O-N 3.21Å; S530-K533 PolarHBondContact O-N 3.06Å; S530-K534 WeakPolarHBondContact O-CB 3.33Å; S530-K534 VanDerWaalsContact O-CG 3.3Å; S530-K534 WeakPolarHBondContact O-CG 3.46Å; S530-K534 PolarHBondContact O-N 3.06Å |
| 531 | F | 91.9 | Very high | 86.6 | Confident | 32 Ų | 32 | 69.8 Ų | 69.8 | 14% | 0.14 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.6 | -45 | 177.5 | -179.8 | -97.9 | 0 | 0 | 0 | 112.3 | M498 I501 I527 M528 K534 S535 I537 | M498-F531 HydrophobicContact CB-CE1 4.38Å; M498-F531 HydrophobicContact CB-CZ 4.43Å; M498-F531 HydrophobicContact CG-CB 4.41Å; M498-F531 HydrophobicContact CG-CD1 3.66Å; M498-F531 HydrophobicContact CG-CD2 4.22Å; M498-F531 HydrophobicContact CG-CE1 3.93Å; M498-F531 HydrophobicContact CG-CE2 4.45Å; M498-F531 HydrophobicContact CG-CG 3.82Å; M498-F531 HydrophobicContact CG-CZ 4.32Å; M498-F531 HydrophobicContact SD-CB 3.73Å; M498-F531 HydrophobicContact SD-CD1 4.05Å; M498-F531 HydrophobicContact SD-CD2 3.75Å; M498-F531 HydrophobicContact SD-CE2 4.41Å; M498-F531 HydrophobicContact SD-CG 3.55Å; M498-F531 VanDerWaalsContact SD-CG 3.55Å; I501-F531 HydrophobicContact CB-CE1 4.45Å; I501-F531 HydrophobicContact CD1-CD1 4.47Å; I501-F531 HydrophobicContact CD1-CE1 3.79Å; I501-F531 HydrophobicContact CG2-CE1 4.24Å; I501-F531 HydrophobicContact CG2-CZ 4.4Å; I527-F531 WeakPolarHBondContact O-CB 3.35Å; I527-F531 PolarHBondContact O-N 2.91Å; M528-F531 WeakPolarHBondContact O-CB 3.47Å; M528-F531 PolarHBondContact O-N 2.88Å; M528-F531 VanDerWaalsContact O-N 3.11Å; F531-K534 PolarHBondContact O-N 3.13Å; F531-S535 VanDerWaalsContact O-CB 3.27Å; F531-S535 WeakPolarHBondContact O-CB 3.41Å; F531-S535 PolarHBondContact O-N 3.45Å; F531-S535 PolarHBondContact O-OG 3.08Å; F531-I537 HydrophobicContact CE1-CD1 4.4Å |
| 532 | F | 93.5 | Very high | 86.8 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 2% | 0.022 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 176.5 | -67.9 | -18.3 | 0 | 0 | 0 | 112.1 | L497 I501 I515 M528 K534 S535 G536 I537 H539 | L497-F532 HydrophobicContact CD2-CZ 4.05Å; I501-F532 HydrophobicContact CD1-CE1 3.81Å; I515-F532 HydrophobicContact CB-CZ 4.5Å; I515-F532 HydrophobicContact CD1-CD1 4.47Å; I515-F532 HydrophobicContact CD1-CE1 3.59Å; I515-F532 HydrophobicContact CD1-CZ 3.75Å; I515-F532 HydrophobicContact CG2-CZ 4.48Å; M528-F532 HydrophobicContact CE-CZ 4.43Å; M528-F532 HydrophobicContact CG-CD2 3.91Å; M528-F532 HydrophobicContact CG-CE1 4.09Å; M528-F532 HydrophobicContact CG-CE2 3.41Å; M528-F532 VanDerWaalsContact CG-CE2 3.41Å; M528-F532 HydrophobicContact CG-CG 4.48Å; M528-F532 HydrophobicContact CG-CZ 3.52Å; M528-F532 WeakPolarHBondContact O-CG 3.44Å; M528-F532 PolarHBondContact O-N 2.84Å; M528-F532 HydrophobicContact SD-CD1 3.99Å; M528-F532 HydrophobicContact SD-CD2 4.36Å; M528-F532 HydrophobicContact SD-CE1 3.29Å; M528-F532 WeakPolarHBondContact SD-CE1 3.18Å; M528-F532 HydrophobicContact SD-CE2 3.77Å; M528-F532 HydrophobicContact SD-CG 4.48Å; M528-F532 HydrophobicContact SD-CZ 3.18Å; M528-F532 WeakPolarHBondContact SD-CZ 3.38Å; F532-K534 PolarHBondContact O-N 3.35Å; F532-S535 CarbonylContact O-C 3.56Å; F532-S535 PolarHBondContact O-N 2.93Å; F532-G536 PolarHBondContact O-N 3.04Å; F532-I537 HydrophobicContact CB-CB 4.19Å; F532-I537 HydrophobicContact CD1-CB 4.13Å; F532-I537 HydrophobicContact CD1-CD1 4.1Å; F532-I537 HydrophobicContact CD1-CG2 4.14Å; F532-I537 HydrophobicContact CG-CB 4.35Å; F532-I537 HydrophobicContact CG-CG2 4.41Å; F532-I537 PolarHBondContact O-N 3.36Å; F532-H539 HydrophobicContact CD2-CB 3.68Å; F532-H539 AromaticContact CD2-CG 3.85Å; F532-H539 AromaticContact CD2-ND1 3.95Å; F532-H539 HydrophobicContact CE2-CB 3.97Å; F532-H539 AromaticContact CE2-CG 3.68Å; F532-H539 AromaticContact CE2-ND1 3.8Å |
| 533 | K | 91.4 | Very high | 86.6 | Confident | 177 Ų | 177 | 65.9 Ų | 65.9 | 77% | 0.77 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.2 | -45.8 | 176.8 | -172.4 | 175.6 | -178.4 | 177.8 | 0 | 111.9 | S529 S530 S535 G536 | S529-K533 VanDerWaalsContact O-CB 3.32Å; S529-K533 WeakPolarHBondContact O-CB 3.49Å; S529-K533 PolarHBondContact O-N 3.29Å; S530-K533 PolarHBondContact O-N 3.06Å; K533-S535 VanDerWaalsContact C-N 3.31Å; K533-S535 PolarHBondContact O-N 3.42Å; K533-G536 PolarHBondContact O-N 2.67Å |
| 534 | K | 92.4 | Very high | 86.1 | Confident | 178 Ų | 178 | 72.1 Ų | 72.1 | 77% | 0.774 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.4 | -33 | 177 | -74.3 | 177 | -178.9 | 179.7 | 0 | 113 | S530 F531 F532 | S530-K534 WeakPolarHBondContact O-CB 3.33Å; S530-K534 VanDerWaalsContact O-CG 3.3Å; S530-K534 WeakPolarHBondContact O-CG 3.46Å; S530-K534 PolarHBondContact O-N 3.06Å; F531-K534 PolarHBondContact O-N 3.13Å; F532-K534 PolarHBondContact O-N 3.35Å |
| 535 | S | 92.6 | Very high | 85.1 | Confident | 56 Ų | 56 | 78.7 Ų | 78.7 | 39% | 0.392 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -88.1 | -7 | -179 | -53.2 | 0 | 0 | 0 | 0 | 113.3 | F531 F532 K533 I537 | F531-S535 VanDerWaalsContact O-CB 3.27Å; F531-S535 WeakPolarHBondContact O-CB 3.41Å; F531-S535 PolarHBondContact O-N 3.45Å; F531-S535 PolarHBondContact O-OG 3.08Å; F532-S535 CarbonylContact O-C 3.56Å; F532-S535 PolarHBondContact O-N 2.93Å; K533-S535 VanDerWaalsContact C-N 3.31Å; K533-S535 PolarHBondContact O-N 3.42Å; S535-I537 VanDerWaalsContact C-N 3.31Å |
| 536 | G | 92.5 | Very high | 84.5 | Confident | 66 Ų | 66 | 79.8 Ų | 79.8 | 68% | 0.68 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 25.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | F532 K533 | F532-G536 PolarHBondContact O-N 3.04Å; K533-G536 PolarHBondContact O-N 2.67Å |
| 537 | I | 95.4 | Very high | 83.4 | Confident | 11 Ų | 11 | 77.9 Ų | 77.9 | 6% | 0.056 | 41% | 0.411 | C | S | . | . | trans | -87.9 | 127.6 | -178.8 | -61.1 | 172.5 | 0 | 0 | 0 | 109.2 | I501 V512 I515 F531 F532 S535 | I501-I537 HydrophobicContact CD1-CD1 4.2Å; I501-I537 HydrophobicContact CG2-CD1 4.07Å; V512-I537 HydrophobicContact CB-CD1 4.26Å; V512-I537 HydrophobicContact CG1-CD1 4.48Å; V512-I537 HydrophobicContact CG1-CG2 4.31Å; I515-I537 HydrophobicContact CB-CG2 4.4Å; I515-I537 HydrophobicContact CD1-CG2 3.99Å; I515-I537 HydrophobicContact CG1-CG2 3.88Å; F531-I537 HydrophobicContact CE1-CD1 4.4Å; F532-I537 HydrophobicContact CB-CB 4.19Å; F532-I537 HydrophobicContact CD1-CB 4.13Å; F532-I537 HydrophobicContact CD1-CD1 4.1Å; F532-I537 HydrophobicContact CD1-CG2 4.14Å; F532-I537 HydrophobicContact CG-CB 4.35Å; F532-I537 HydrophobicContact CG-CG2 4.41Å; F532-I537 PolarHBondContact O-N 3.36Å; S535-I537 VanDerWaalsContact C-N 3.31Å | ||
| 538 | K | 93 | Very high | 82.5 | Confident | 122 Ų | 122 | 78.8 Ų | 78.8 | 53% | 0.53 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 122.8 | 171.6 | -173.2 | -172.5 | -178.8 | -161.8 | 0 | 109.8 | K513 T514 I515 E540 | K513-K538 PolarHBondContact O-N 3.43Å; T514-K538 CarbonylContact C-O 3.13Å; T514-K538 VanDerWaalsContact CA-O 3.23Å; T514-K538 WeakPolarHBondContact CA-O 3.37Å; T514-K538 HydrophobicContact CG2-CB 4.2Å; T514-K538 HydrophobicContact CG2-CD 4.28Å; T514-K538 HydrophobicContact CG2-CG 4.38Å; T514-K538 WeakPolarHBondContact CG2-O 3.31Å; I515-K538 PolarHBondContact N-O 3.37Å; K538-E540 HydrophobicContact CD-CG 4.27Å; K538-E540 WeakPolarHBondContact CE-OE1 3.43Å; K538-E540 HydrophobicContact CG-CG 4.41Å; K538-E540 IonicContact NZ-OE1 3.62Å; K538-E540 PolarHBondContact NZ-OE1 3.43Å |
| 539 | H | 92.3 | Very high | 81.5 | Confident | 48 Ų | 48 | 81.8 Ų | 81.8 | 22% | 0.222 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 112.8 | 174.1 | -174.7 | -160.6 | 0 | 0 | 0 | 110.1 | I515 T517 F532 | I515-H539 CarbonylContact O-C 3.57Å; I515-H539 WeakPolarHBondContact O-CA 3.33Å; T517-H539 PolarHBondContact OG1-NE2 3.23Å; F532-H539 HydrophobicContact CD2-CB 3.68Å; F532-H539 AromaticContact CD2-CG 3.85Å; F532-H539 AromaticContact CD2-ND1 3.95Å; F532-H539 HydrophobicContact CE2-CB 3.97Å; F532-H539 AromaticContact CE2-CG 3.68Å; F532-H539 AromaticContact CE2-ND1 3.8Å |
| 540 | E | 90.3 | Very high | 81.3 | Confident | 46 Ų | 46 | 79 Ų | 79 | 22% | 0.215 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 136.1 | 173 | -67.2 | -178.5 | 174.5 | 0 | 0 | 109.3 | T514 I515 R516 T517 K538 | T514-E540 HydrophobicContact CG2-CB 4.36Å; T514-E540 VanDerWaalsContact CG2-CD 3.49Å; T514-E540 HydrophobicContact CG2-CG 3.67Å; I515-E540 PolarHBondContact O-N 3.26Å; R516-E540 CarbonylContact C-O 3.57Å; R516-E540 WeakPolarHBondContact CA-O 3.31Å; R516-E540 HydrophobicContact CB-CB 4.31Å; R516-E540 HydrophobicContact CG-CB 4.16Å; R516-E540 IonicContact CZ-OE2 2.75Å; R516-E540 VanDerWaalsContact CZ-OE2 3.3Å; R516-E540 IonicContact NE-OE2 3.95Å; R516-E540 PolarHBondContact NE-OE2 2.77Å; R516-E540 VanDerWaalsContact NE-OE2 3.09Å; R516-E540 IonicContact NH2-OE2 3.88Å; R516-E540 PolarHBondContact NH2-OE2 2.89Å; T517-E540 PolarHBondContact N-O 2.78Å; K538-E540 HydrophobicContact CD-CG 4.27Å; K538-E540 WeakPolarHBondContact CE-OE1 3.43Å; K538-E540 HydrophobicContact CG-CG 4.41Å; K538-E540 IonicContact NZ-OE1 3.62Å; K538-E540 PolarHBondContact NZ-OE1 3.43Å |
| 541 | R | 85.3 | Confident | 81 | Confident | 137 Ų | 137 | 77.4 Ų | 77.4 | 52% | 0.517 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 149.7 | 177.9 | -62.9 | 178.2 | -68.7 | 179.5 | 1.3 | 110 | T517 N519 | T517-R541 CarbonylContact O-C 3.51Å; T517-R541 WeakPolarHBondContact O-CA 3.45Å; N519-R541 VanDerWaalsContact OD1-CB 3.29Å; N519-R541 WeakPolarHBondContact OD1-CB 3.12Å |
| 542 | S | 78.2 | Confident | 80.8 | Confident | 11 Ų | 11 | 77.3 Ų | 77.3 | 8% | 0.077 | 40% | 0.401 | C | S | . | . | trans | -63.7 | 146.4 | 167 | 61.5 | 0 | 0 | 0 | 0 | 109.7 | T517 D518 N519 | T517-S542 PolarHBondContact O-N 3.26Å; D518-S542 WeakPolarHBondContact CA-OG 3.16Å; N519-S542 PolarHBondContact ND2-O 2.75Å; N519-S542 PolarHBondContact OD1-O 2.8Å | ||
| 543 | N | 73.8 | Confident | 80.6 | Confident | 97 Ų | 97 | 77.1 Ų | 77.1 | 52% | 0.519 | 40% | 0.4 | S | S | . | . | B | Isolated β-bridge | trans | -75.4 | 146.6 | 169.2 | -68 | -12 | 0 | 0 | 0 | 106.9 | E545 T546 M549 | N543-E545 PolarHBondContact O-N 2.81Å; N543-E545 VanDerWaalsContact O-N 3.11Å; N543-T546 CarbonylContact O-C 3.59Å; N543-T546 PolarHBondContact O-N 2.82Å; N543-M549 HydrophobicContact CB-CE 3.72Å; N543-M549 WeakPolarHBondContact OD1-CE 3.43Å |
| 544 | V | 64.7 | Low | 80.5 | Confident | 130 Ų | 130 | 72.4 Ų | 72.4 | 79% | 0.788 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -38 | 178.9 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 545 | E | 50.3 | Low | 80.3 | Confident | 179 Ų | 179 | 67.7 Ų | 67.7 | 84% | 0.836 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -3.7 | -178.8 | -58.1 | -178.3 | 165 | 0 | 0 | 114.3 | N543 P547 | N543-E545 PolarHBondContact O-N 2.81Å; N543-E545 VanDerWaalsContact O-N 3.11Å; E545-P547 VanDerWaalsContact C-CD 3.49Å |
| 546 | T | 64.3 | Low | 80.3 | Confident | 53 Ų | 53 | 65.4 Ų | 65.4 | 33% | 0.325 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -132.5 | 63.9 | -174 | -34.3 | 0 | 0 | 0 | 0 | 112.2 | N543 Q548 M549 | N543-T546 CarbonylContact O-C 3.59Å; N543-T546 PolarHBondContact O-N 2.82Å; T546-Q548 VanDerWaalsContact C-OE1 3.28Å; T546-Q548 VanDerWaalsContact CA-OE1 3.3Å; T546-Q548 VanDerWaalsContact CG2-OE1 3.23Å; T546-Q548 PolarHBondContact O-N 2.58Å; T546-Q548 VanDerWaalsContact O-N 3.09Å; T546-M549 HydrophobicContact CG2-CG 4.22Å; T546-M549 PolarHBondContact O-N 2.89Å |
| 547 | P | 60.8 | Low | 80.3 | Confident | 57 Ų | 57 | 62.7 Ų | 62.7 | 37% | 0.37 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -58.1 | -24.8 | 178.9 | 22.3 | -32.2 | 0 | 0 | 0 | 112.7 | E545 M549 N550 | E545-P547 VanDerWaalsContact C-CD 3.49Å; P547-M549 PolarHBondContact O-N 2.87Å; P547-N550 PolarHBondContact O-N 2.77Å |
| 548 | Q | 65.7 | Low | 80.1 | Confident | 138 Ų | 138 | 68 Ų | 68 | 65% | 0.645 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -57.8 | -16.5 | 179.6 | -52.5 | 82.6 | 2.6 | 0 | 0 | 113.7 | T546 N550 G551 | T546-Q548 VanDerWaalsContact C-OE1 3.28Å; T546-Q548 VanDerWaalsContact CA-OE1 3.3Å; T546-Q548 VanDerWaalsContact CG2-OE1 3.23Å; T546-Q548 PolarHBondContact O-N 2.58Å; T546-Q548 VanDerWaalsContact O-N 3.09Å; Q548-N550 VanDerWaalsContact C-N 3.32Å; Q548-G551 PolarHBondContact O-N 2.83Å |
| 549 | M | 66.1 | Low | 80.1 | Confident | 64 Ų | 64 | 63.9 Ų | 63.9 | 32% | 0.315 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -65.4 | -30.9 | 173 | -69.8 | -154.8 | -76.1 | 0 | 0 | 113.8 | R516 N543 T546 P547 | R516-M549 WeakPolarHBondContact CD-O 3.49Å; R516-M549 PolarHBondContact NH1-O 2.92Å; N543-M549 HydrophobicContact CB-CE 3.72Å; N543-M549 WeakPolarHBondContact OD1-CE 3.43Å; T546-M549 HydrophobicContact CG2-CG 4.22Å; T546-M549 PolarHBondContact O-N 2.89Å; P547-M549 PolarHBondContact O-N 2.87Å |
| 550 | N | 82.5 | Confident | 80.2 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -100.8 | 11.2 | 172.8 | -158 | 25.3 | 0 | 0 | 0 | 112.8 | S454 P547 Q548 V552 A553 E554 | S454-N550 PolarHBondContact O-ND2 2.99Å; P547-N550 PolarHBondContact O-N 2.77Å; Q548-N550 VanDerWaalsContact C-N 3.32Å; N550-V552 PolarHBondContact O-N 3.37Å; N550-A553 PolarHBondContact O-N 3.31Å; N550-E554 PolarHBondContact O-N 2.82Å |
| 551 | G | 83.5 | Confident | 80.4 | Confident | 18 Ų | 18 | 61.1 Ų | 61.1 | 19% | 0.186 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.4 | -8.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q548 R555 | Q548-G551 PolarHBondContact O-N 2.83Å; G551-R555 WeakPolarHBondContact O-CB 3.31Å; G551-R555 PolarHBondContact O-N 2.8Å |
| 552 | V | 87.7 | Confident | 80.8 | Confident | 31 Ų | 31 | 55.6 Ų | 55.6 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.1 | -50.9 | 168.5 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | V475 N550 V556 | V475-V552 HydrophobicContact CB-CG1 4.31Å; V475-V552 HydrophobicContact CG1-CG1 3.91Å; N550-V552 PolarHBondContact O-N 3.37Å; V552-V556 WeakPolarHBondContact O-CG2 3.08Å; V552-V556 PolarHBondContact O-N 3.03Å |
| 553 | A | 89.9 | Confident | 81.6 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.9 | -44.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | H453 D455 N550 R555 V556 N557 | H453-A553 HydrophobicContact CB-CB 4.08Å; D455-A553 HydrophobicContact CB-CB 3.53Å; N550-A553 PolarHBondContact O-N 3.31Å; A553-R555 VanDerWaalsContact C-N 3.31Å; A553-R555 PolarHBondContact O-N 2.91Å; A553-V556 CarbonylContact O-C 3.52Å; A553-V556 WeakPolarHBondContact O-CA 3.21Å; A553-V556 WeakPolarHBondContact O-CB 3.23Å; A553-V556 PolarHBondContact O-N 3.24Å; A553-N557 PolarHBondContact O-N 3.39Å |
| 554 | E | 89 | Confident | 82.7 | Confident | 79 Ų | 79 | 50.9 Ų | 50.9 | 37% | 0.369 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -55.4 | -44.1 | 175.1 | -65.4 | 172.5 | -175.5 | 0 | 0 | 112.2 | N550 V556 N557 R558 | N550-E554 PolarHBondContact O-N 2.82Å; E554-V556 VanDerWaalsContact C-N 3.32Å; E554-V556 PolarHBondContact O-N 2.93Å; E554-N557 WeakPolarHBondContact O-CB 3.43Å; E554-N557 PolarHBondContact O-N 2.88Å; E554-R558 PolarHBondContact O-N 3.38Å |
| 555 | R | 88.8 | Confident | 84.1 | Confident | 79 Ų | 79 | 50 Ų | 50 | 30% | 0.298 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.2 | -36 | 178 | -175.2 | 178.2 | -59.2 | -156.8 | -6 | 112.3 | V438 G551 A553 T559 | V438-R555 PolarHBondContact O-NH2 2.88Å; G551-R555 WeakPolarHBondContact O-CB 3.31Å; G551-R555 PolarHBondContact O-N 2.8Å; A553-R555 VanDerWaalsContact C-N 3.31Å; A553-R555 PolarHBondContact O-N 2.91Å; R555-T559 PolarHBondContact O-N 2.76Å; R555-T559 PolarHBondContact O-OG1 2.82Å |
| 556 | V | 92 | Very high | 86.2 | Confident | 8 Ų | 8 | 41.5 Ų | 41.5 | 5% | 0.048 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.1 | -43.4 | 173.9 | 170.5 | 0 | 0 | 0 | 0 | 109.9 | T473 V475 V482 V552 A553 E554 R558 T559 L560 | T473-V556 HydrophobicContact CG2-CB 4.27Å; T473-V556 HydrophobicContact CG2-CG1 3.62Å; V475-V556 HydrophobicContact CG1-CG2 4.42Å; V475-V556 HydrophobicContact CG2-CB 4.11Å; V475-V556 HydrophobicContact CG2-CG1 4.17Å; V475-V556 HydrophobicContact CG2-CG2 3.96Å; V482-V556 HydrophobicContact CB-CG1 4.2Å; V482-V556 HydrophobicContact CG1-CG1 3.5Å; V482-V556 VanDerWaalsContact CG1-CG1 3.5Å; V482-V556 HydrophobicContact CG2-CG1 3.58Å; V482-V556 HydrophobicContact CG2-CG2 4.07Å; V552-V556 WeakPolarHBondContact O-CG2 3.08Å; V552-V556 PolarHBondContact O-N 3.03Å; A553-V556 CarbonylContact O-C 3.52Å; A553-V556 WeakPolarHBondContact O-CA 3.21Å; A553-V556 WeakPolarHBondContact O-CB 3.23Å; A553-V556 PolarHBondContact O-N 3.24Å; E554-V556 VanDerWaalsContact C-N 3.32Å; E554-V556 PolarHBondContact O-N 2.93Å; V556-R558 PolarHBondContact O-N 2.89Å; V556-T559 PolarHBondContact O-N 2.75Å; V556-T559 VanDerWaalsContact O-N 3.09Å; V556-L560 HydrophobicContact CG1-CD1 3.89Å; V556-L560 HydrophobicContact CG1-CG 4.1Å; V556-L560 WeakPolarHBondContact O-CB 3.4Å; V556-L560 WeakPolarHBondContact O-CG 3.35Å; V556-L560 PolarHBondContact O-N 3.3Å |
| 557 | N | 93.6 | Very high | 87.7 | Confident | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.048 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.5 | -49.9 | 175.2 | -75.2 | -13.4 | 0 | 0 | 0 | 111.6 | D455 T473 A553 E554 T559 L560 M561 | D455-N557 PolarHBondContact OD2-ND2 3.01Å; T473-N557 WeakPolarHBondContact CB-OD1 3.4Å; T473-N557 PolarHBondContact OG1-OD1 2.86Å; A553-N557 PolarHBondContact O-N 3.39Å; E554-N557 WeakPolarHBondContact O-CB 3.43Å; E554-N557 PolarHBondContact O-N 2.88Å; N557-T559 VanDerWaalsContact C-N 3.33Å; N557-T559 PolarHBondContact O-N 2.93Å; N557-L560 PolarHBondContact O-N 3.17Å; N557-M561 WeakPolarHBondContact O-CG 3.39Å; N557-M561 PolarHBondContact O-N 3.1Å |
| 558 | R | 90.7 | Very high | 89.4 | Confident | 123 Ų | 123 | 37.4 Ų | 37.4 | 46% | 0.464 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -56.2 | -47.5 | 173.9 | -174.4 | 176.1 | 67.3 | -148.6 | 3.4 | 112.2 | E554 V556 L560 M561 D562 | E554-R558 PolarHBondContact O-N 3.38Å; V556-R558 PolarHBondContact O-N 2.89Å; R558-L560 VanDerWaalsContact C-N 3.33Å; R558-L560 PolarHBondContact O-N 3.04Å; R558-M561 PolarHBondContact O-N 3.34Å; R558-D562 VanDerWaalsContact O-CG 3.31Å; R558-D562 PolarHBondContact O-N 3.16Å |
| 559 | T | 91.8 | Very high | 90.7 | Very high | 34 Ų | 34 | 36.8 Ų | 36.8 | 21% | 0.209 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.9 | -36.4 | -178.2 | -48.6 | 0 | 0 | 0 | 0 | 112.5 | R555 V556 N557 L563 | R555-T559 PolarHBondContact O-N 2.76Å; R555-T559 PolarHBondContact O-OG1 2.82Å; V556-T559 PolarHBondContact O-N 2.75Å; V556-T559 VanDerWaalsContact O-N 3.09Å; N557-T559 VanDerWaalsContact C-N 3.33Å; N557-T559 PolarHBondContact O-N 2.93Å; T559-L563 WeakPolarHBondContact O-CG 3.49Å; T559-L563 PolarHBondContact O-N 3.35Å |
| 560 | L | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.8 | -44.4 | 175.3 | -72.8 | 174.7 | 0 | 0 | 0 | 110.4 | F471 T473 V482 V484 V556 N557 R558 D562 L563 V564 V582 A585 A586 | F471-L560 HydrophobicContact CE2-CD1 4.27Å; T473-L560 HydrophobicContact CG2-CD1 4.36Å; V482-L560 HydrophobicContact CG1-CD1 4.1Å; V484-L560 HydrophobicContact CG2-CD1 3.64Å; V556-L560 HydrophobicContact CG1-CD1 3.89Å; V556-L560 HydrophobicContact CG1-CG 4.1Å; V556-L560 WeakPolarHBondContact O-CB 3.4Å; V556-L560 WeakPolarHBondContact O-CG 3.35Å; V556-L560 PolarHBondContact O-N 3.3Å; N557-L560 PolarHBondContact O-N 3.17Å; R558-L560 VanDerWaalsContact C-N 3.33Å; R558-L560 PolarHBondContact O-N 3.04Å; L560-D562 VanDerWaalsContact C-N 3.34Å; L560-D562 PolarHBondContact O-N 3.3Å; L560-L563 PolarHBondContact O-N 3.12Å; L560-L563 VanDerWaalsContact O-N 3.14Å; L560-V564 VanDerWaalsContact O-CG2 3.28Å; L560-V564 WeakPolarHBondContact O-CG2 3.23Å; L560-V564 PolarHBondContact O-N 2.88Å; L560-V582 HydrophobicContact CB-CG2 4.08Å; L560-V582 HydrophobicContact CD1-CG2 4.11Å; L560-A585 HydrophobicContact CD2-CB 3.91Å; L560-A586 HydrophobicContact CD2-CB 4.16Å |
| 561 | M | 95 | Very high | 92.5 | Very high | 36 Ų | 36 | 34.9 Ų | 34.9 | 18% | 0.177 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.5 | -36.2 | 178.1 | -69 | -54.1 | -66 | 0 | 0 | 113 | M460 F471 N557 R558 L563 V564 R565 | M460-M561 HydrophobicContact CE-CE 4.31Å; M460-M561 HydrophobicContact CE-SD 4.25Å; M460-M561 HydrophobicContact SD-CE 4.03Å; F471-M561 HydrophobicContact CE1-SD 3.76Å; F471-M561 HydrophobicContact CZ-CG 4.34Å; F471-M561 HydrophobicContact CZ-SD 3.92Å; N557-M561 WeakPolarHBondContact O-CG 3.39Å; N557-M561 PolarHBondContact O-N 3.1Å; R558-M561 PolarHBondContact O-N 3.34Å; M561-L563 VanDerWaalsContact C-N 3.34Å; M561-L563 PolarHBondContact O-N 3.28Å; M561-V564 PolarHBondContact O-N 3.39Å; M561-R565 WeakPolarHBondContact O-CG 3.4Å; M561-R565 PolarHBondContact O-N 3.41Å |
| 562 | D | 93.2 | Very high | 92.8 | Very high | 21 Ų | 21 | 35.6 Ų | 35.6 | 11% | 0.112 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.9 | -44.6 | 171 | -75.1 | -17.3 | 0 | 0 | 0 | 111.9 | K431 R558 L560 R565 S566 | K431-D562 HydrophobicContact CG-CB 4.08Å; R558-D562 VanDerWaalsContact O-CG 3.31Å; R558-D562 PolarHBondContact O-N 3.16Å; L560-D562 VanDerWaalsContact C-N 3.34Å; L560-D562 PolarHBondContact O-N 3.3Å; D562-R565 IonicContact OD1-CZ 3.62Å; D562-R565 IonicContact OD1-NH2 3.84Å; D562-R565 PolarHBondContact OD1-NH2 3.45Å; D562-S566 PolarHBondContact O-N 2.79Å; D562-S566 PolarHBondContact O-OG 3.27Å |
| 563 | L | 94.7 | Very high | 93.1 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.6 | -43 | 177.2 | -63.2 | 171.3 | 0 | 0 | 0 | 111.3 | C394 V396 T559 L560 M561 R565 S566 M567 A585 | C394-L563 WeakPolarHBondContact O-CD2 3.36Å; V396-L563 HydrophobicContact CG2-CD1 4.42Å; V396-L563 HydrophobicContact CG2-CD2 4.2Å; T559-L563 WeakPolarHBondContact O-CG 3.49Å; T559-L563 PolarHBondContact O-N 3.35Å; L560-L563 PolarHBondContact O-N 3.12Å; L560-L563 VanDerWaalsContact O-N 3.14Å; M561-L563 VanDerWaalsContact C-N 3.34Å; M561-L563 PolarHBondContact O-N 3.28Å; L563-R565 VanDerWaalsContact C-N 3.34Å; L563-R565 PolarHBondContact O-N 2.98Å; L563-S566 PolarHBondContact O-N 3.35Å; L563-M567 HydrophobicContact CB-SD 4.38Å; L563-M567 WeakPolarHBondContact O-CB 3.43Å; L563-M567 WeakPolarHBondContact O-CG 3.43Å; L563-M567 PolarHBondContact O-N 3.35Å; L563-A585 HydrophobicContact CB-CB 3.95Å; L563-A585 HydrophobicContact CD1-CB 4.04Å |
| 564 | V | 96.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.024 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.2 | -46.7 | 177.3 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | L560 M561 M567 L568 W578 A581 V582 | L560-V564 VanDerWaalsContact O-CG2 3.28Å; L560-V564 WeakPolarHBondContact O-CG2 3.23Å; L560-V564 PolarHBondContact O-N 2.88Å; M561-V564 PolarHBondContact O-N 3.39Å; V564-M567 PolarHBondContact O-N 2.94Å; V564-L568 HydrophobicContact CG1-CD1 3.81Å; V564-L568 HydrophobicContact CG1-CG 4.32Å; V564-L568 WeakPolarHBondContact O-CB 3.39Å; V564-L568 WeakPolarHBondContact O-CG 3.06Å; V564-L568 PolarHBondContact O-N 3.31Å; V564-W578 HydrophobicContact CG1-CB 4.17Å; V564-A581 HydrophobicContact CB-CB 4.4Å; V564-A581 HydrophobicContact CG1-CB 4.08Å; V564-A581 HydrophobicContact CG2-CB 4.05Å; V564-V582 HydrophobicContact CG2-CB 3.79Å; V564-V582 HydrophobicContact CG2-CG2 4.26Å |
| 565 | R | 95.2 | Very high | 93.5 | Very high | 112 Ų | 112 | 40.3 Ų | 40.3 | 42% | 0.423 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.3 | -48.2 | 176.8 | -76.9 | -175.5 | -76 | -96.4 | 2.3 | 112 | G430 M561 D562 L563 K569 | G430-R565 PolarHBondContact O-NE 3.43Å; M561-R565 WeakPolarHBondContact O-CG 3.4Å; M561-R565 PolarHBondContact O-N 3.41Å; D562-R565 IonicContact OD1-CZ 3.62Å; D562-R565 IonicContact OD1-NH2 3.84Å; D562-R565 PolarHBondContact OD1-NH2 3.45Å; L563-R565 VanDerWaalsContact C-N 3.34Å; L563-R565 PolarHBondContact O-N 2.98Å; R565-K569 WeakPolarHBondContact O-CB 3.38Å; R565-K569 PolarHBondContact O-N 3.12Å |
| 566 | S | 94.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.3 | -41.1 | 177.7 | -67.2 | 0 | 0 | 0 | 0 | 112.6 | D426 C427 D562 L563 K569 S570 | D426-S566 PolarHBondContact O-OG 2.97Å; C427-S566 WeakPolarHBondContact CA-OG 3.35Å; D562-S566 PolarHBondContact O-N 2.79Å; D562-S566 PolarHBondContact O-OG 3.27Å; L563-S566 PolarHBondContact O-N 3.35Å; S566-K569 PolarHBondContact O-N 3.03Å; S566-S570 WeakPolarHBondContact O-CB 3.14Å; S566-S570 PolarHBondContact O-N 3.08Å; S566-S570 PolarHBondContact O-OG 2.87Å; S566-S570 VanDerWaalsContact O-OG 3.09Å |
| 567 | M | 96 | Very high | 94 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.9 | -43.6 | 179.3 | -71 | 165.1 | 67.4 | 0 | 0 | 112.7 | C394 L563 V564 K569 S570 S571 A581 A584 A585 Y618 | C394-M567 HydrophobicContact CB-CE 4.21Å; C394-M567 HydrophobicContact CB-CG 3.92Å; C394-M567 HydrophobicContact CB-SD 3.55Å; C394-M567 VanDerWaalsContact CB-SD 3.55Å; L563-M567 HydrophobicContact CB-SD 4.38Å; L563-M567 WeakPolarHBondContact O-CB 3.43Å; L563-M567 WeakPolarHBondContact O-CG 3.43Å; L563-M567 PolarHBondContact O-N 3.35Å; V564-M567 PolarHBondContact O-N 2.94Å; M567-K569 VanDerWaalsContact C-N 3.34Å; M567-S570 PolarHBondContact O-OG 3.48Å; M567-S571 VanDerWaalsContact O-CB 3.23Å; M567-S571 WeakPolarHBondContact O-CB 3.5Å; M567-S571 PolarHBondContact O-N 3.06Å; M567-S571 PolarHBondContact O-OG 3.2Å; M567-A581 HydrophobicContact CE-CB 3.99Å; M567-A581 WeakPolarHBondContact CE-O 3.45Å; M567-A584 HydrophobicContact CE-CB 3.88Å; M567-A585 HydrophobicContact SD-CB 4.12Å; M567-Y618 HydrophobicContact CB-CD1 3.88Å; M567-Y618 HydrophobicContact CB-CE1 4.23Å; M567-Y618 HydrophobicContact CB-CG 4.38Å; M567-Y618 HydrophobicContact CE-CD1 3.8Å; M567-Y618 HydrophobicContact CE-CD2 3.15Å; M567-Y618 HydrophobicContact CE-CE1 4.14Å; M567-Y618 HydrophobicContact CE-CE2 3.5Å; M567-Y618 VanDerWaalsContact CE-CE2 3.5Å; M567-Y618 HydrophobicContact CE-CG 3.3Å; M567-Y618 HydrophobicContact CG-CD1 4.49Å |
| 568 | L | 95.2 | Very high | 94.2 | Very high | 24 Ų | 24 | 41 Ų | 41 | 13% | 0.126 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.8 | -39 | 177.2 | -69.6 | 175.1 | 0 | 0 | 0 | 110.9 | V564 S571 G572 L573 F577 W578 | V564-L568 HydrophobicContact CG1-CD1 3.81Å; V564-L568 HydrophobicContact CG1-CG 4.32Å; V564-L568 WeakPolarHBondContact O-CB 3.39Å; V564-L568 WeakPolarHBondContact O-CG 3.06Å; V564-L568 PolarHBondContact O-N 3.31Å; L568-S571 PolarHBondContact O-OG 3.42Å; L568-G572 PolarHBondContact O-N 3.04Å; L568-L573 HydrophobicContact CD2-CB 4.23Å; L568-F577 HydrophobicContact CD2-CB 4.08Å; L568-W578 HydrophobicContact CD1-CB 4.36Å |
| 569 | K | 92.9 | Very high | 94.4 | Very high | 126 Ų | 126 | 35.5 Ų | 35.5 | 55% | 0.548 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.9 | -46.9 | 176.3 | -177.4 | 59.3 | 178.8 | 176.8 | 0 | 112.4 | D426 R565 S566 M567 | D426-K569 HydrophobicContact CB-CG 4.49Å; R565-K569 WeakPolarHBondContact O-CB 3.38Å; R565-K569 PolarHBondContact O-N 3.12Å; S566-K569 PolarHBondContact O-N 3.03Å; M567-K569 VanDerWaalsContact C-N 3.34Å |
| 570 | S | 92.6 | Very high | 94.7 | Very high | 24 Ų | 24 | 34.9 Ų | 34.9 | 17% | 0.168 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.4 | -35.6 | -177.4 | 65.5 | 0 | 0 | 0 | 0 | 113.1 | H395 D426 S566 M567 | H395-S570 VanDerWaalsContact NE2-CB 3.28Å; H395-S570 WeakPolarHBondContact NE2-CB 3.5Å; H395-S570 PolarHBondContact NE2-OG 3.48Å; D426-S570 VanDerWaalsContact OD2-CB 3.31Å; D426-S570 WeakPolarHBondContact OD2-CB 3.38Å; S566-S570 WeakPolarHBondContact O-CB 3.14Å; S566-S570 PolarHBondContact O-N 3.08Å; S566-S570 PolarHBondContact O-OG 2.87Å; S566-S570 VanDerWaalsContact O-OG 3.09Å; M567-S570 PolarHBondContact O-OG 3.48Å |
| 571 | S | 94 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -77.9 | -24 | 177.8 | 60 | 0 | 0 | 0 | 0 | 114.2 | M567 L568 L573 | M567-S571 VanDerWaalsContact O-CB 3.23Å; M567-S571 WeakPolarHBondContact O-CB 3.5Å; M567-S571 PolarHBondContact O-N 3.06Å; M567-S571 PolarHBondContact O-OG 3.2Å; L568-S571 PolarHBondContact O-OG 3.42Å; S571-L573 PolarHBondContact O-N 3.09Å; S571-L573 PolarHBondContact OG-N 3.01Å |
| 572 | G | 91.2 | Very high | 94.9 | Very high | 32 Ų | 32 | 33.1 Ų | 33.1 | 33% | 0.33 | 16% | 0.164 | S | C | . | . | trans | 73.3 | 3.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L568 F682 | L568-G572 PolarHBondContact O-N 3.04Å; G572-F682 WeakPolarHBondContact O-CD1 3.48Å; G572-F682 WeakPolarHBondContact O-CE1 3.4Å | ||
| 573 | L | 93.4 | Very high | 95.1 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 5% | 0.047 | 17% | 0.168 | C | C | . | . | trans | -66.2 | 145.4 | -178.5 | -79.5 | 167.5 | 0 | 0 | 0 | 111.9 | L568 S571 F577 Y618 I642 V644 W656 F682 | L568-L573 HydrophobicContact CD2-CB 4.23Å; S571-L573 PolarHBondContact O-N 3.09Å; S571-L573 PolarHBondContact OG-N 3.01Å; L573-F577 HydrophobicContact CB-CB 4.35Å; L573-F577 HydrophobicContact CB-CD2 4.18Å; L573-F577 HydrophobicContact CB-CG 4.41Å; L573-F577 HydrophobicContact CD1-CB 4.5Å; L573-F577 HydrophobicContact CD1-CG 4.43Å; L573-F577 HydrophobicContact CD2-CD2 3.99Å; L573-F577 HydrophobicContact CD2-CE2 4.06Å; L573-F577 HydrophobicContact CD2-CG 4.34Å; L573-F577 HydrophobicContact CD2-CZ 4.47Å; L573-Y618 HydrophobicContact CD1-CE1 3.77Å; L573-I642 HydrophobicContact CD1-CG2 4.11Å; L573-I642 HydrophobicContact CD2-CD1 3.95Å; L573-I642 HydrophobicContact CD2-CG2 4.29Å; L573-I642 HydrophobicContact CG-CG2 4.49Å; L573-V644 HydrophobicContact CD1-CG1 4.13Å; L573-W656 HydrophobicContact CD2-CE3 4.38Å; L573-W656 HydrophobicContact CD2-CZ3 4.32Å; L573-F682 HydrophobicContact CD2-CB 4.3Å; L573-F682 HydrophobicContact CD2-CD2 3.89Å; L573-F682 HydrophobicContact CD2-CG 4.38Å | ||
| 574 | P | 92.9 | Very high | 95.2 | Very high | 48 Ų | 48 | 33.6 Ų | 33.6 | 31% | 0.312 | 17% | 0.168 | S | C | . | . | trans | -56.9 | 153.3 | 173.8 | -25 | 33.4 | 0 | 0 | 0 | 112.9 | Q576 F577 F682 | P574-Q576 PolarHBondContact O-N 3.17Å; P574-F577 HydrophobicContact CB-CD2 4.36Å; P574-F577 HydrophobicContact CG-CD2 4.46Å; P574-F577 HydrophobicContact CG-CE2 4.37Å; P574-F577 PolarHBondContact O-N 2.86Å; P574-F682 HydrophobicContact CG-CE2 3.94Å; P574-F682 HydrophobicContact CG-CZ 4.04Å | ||
| 575 | K | 94.7 | Very high | 95.3 | Very high | 152 Ų | 152 | 33.4 Ų | 33.4 | 66% | 0.661 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -56.6 | -24.3 | 179.7 | -68.4 | -178.8 | -178.7 | 175.9 | 0 | 113.5 | V462 F577 W578 | V462-K575 HydrophobicContact CB-CB 4.4Å; V462-K575 HydrophobicContact CG2-CB 4.14Å; V462-K575 HydrophobicContact CG2-CD 4.42Å; K575-F577 PolarHBondContact O-N 3.31Å; K575-F577 VanDerWaalsContact O-N 3.08Å; K575-W578 WeakPolarHBondContact O-CB 3.12Å; K575-W578 PolarHBondContact O-N 2.74Å |
| 576 | Q | 94.3 | Very high | 95.4 | Very high | 98 Ų | 98 | 28.3 Ų | 28.3 | 46% | 0.458 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -57.7 | -19.9 | 175.7 | -63.3 | 174.8 | 7.7 | 0 | 0 | 113.5 | V462 S464 H465 P574 W578 | V462-Q576 HydrophobicContact CG1-CB 4.4Å; V462-Q576 HydrophobicContact CG1-CG 3.53Å; S464-Q576 CarbonylContact C-O 3.54Å; S464-Q576 WeakPolarHBondContact CA-O 3.33Å; H465-Q576 PolarHBondContact N-O 3.36Å; P574-Q576 PolarHBondContact O-N 3.17Å; Q576-W578 VanDerWaalsContact C-N 3.27Å; Q576-W578 PolarHBondContact O-N 2.79Å |
| 577 | F | 96 | Very high | 95.5 | Very high | 3 Ų | 3 | 31 Ų | 31 | 1% | 0.013 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -84.1 | 8.4 | 176.5 | -70.8 | -86.4 | 0 | 0 | 0 | 114.1 | L568 L573 P574 K575 A579 E580 A581 V644 W656 | L568-F577 HydrophobicContact CD2-CB 4.08Å; L573-F577 HydrophobicContact CB-CB 4.35Å; L573-F577 HydrophobicContact CB-CD2 4.18Å; L573-F577 HydrophobicContact CB-CG 4.41Å; L573-F577 HydrophobicContact CD1-CB 4.5Å; L573-F577 HydrophobicContact CD1-CG 4.43Å; L573-F577 HydrophobicContact CD2-CD2 3.99Å; L573-F577 HydrophobicContact CD2-CE2 4.06Å; L573-F577 HydrophobicContact CD2-CG 4.34Å; L573-F577 HydrophobicContact CD2-CZ 4.47Å; P574-F577 HydrophobicContact CB-CD2 4.36Å; P574-F577 HydrophobicContact CG-CD2 4.46Å; P574-F577 HydrophobicContact CG-CE2 4.37Å; P574-F577 PolarHBondContact O-N 2.86Å; K575-F577 PolarHBondContact O-N 3.31Å; K575-F577 VanDerWaalsContact O-N 3.08Å; F577-A579 PolarHBondContact O-N 2.9Å; F577-E580 HydrophobicContact CD1-CG 4.36Å; F577-E580 PolarHBondContact O-N 3.2Å; F577-E580 VanDerWaalsContact O-N 3.14Å; F577-A581 PolarHBondContact O-N 3.24Å; F577-V644 HydrophobicContact CD1-CG1 4.07Å; F577-V644 HydrophobicContact CE1-CG1 4.28Å; F577-W656 HydrophobicContact CE1-CB 4.26Å; F577-W656 AromaticContact CE1-CD2 3.8Å; F577-W656 HydrophobicContact CE1-CD2 3.8Å; F577-W656 HydrophobicContact CE1-CE3 4.22Å; F577-W656 AromaticContact CE1-CG 3.8Å; F577-W656 HydrophobicContact CE1-CG 3.8Å; F577-W656 HydrophobicContact CE2-CH2 4.39Å; F577-W656 HydrophobicContact CE2-CZ2 4.48Å; F577-W656 HydrophobicContact CE2-CZ3 4.41Å; F577-W656 AromaticContact CZ-CD2 3.49Å; F577-W656 HydrophobicContact CZ-CD2 3.49Å; F577-W656 VanDerWaalsContact CZ-CD2 3.49Å; F577-W656 AromaticContact CZ-CE2 3.52Å; F577-W656 AromaticContact CZ-CE3 3.75Å; F577-W656 HydrophobicContact CZ-CE3 3.75Å; F577-W656 AromaticContact CZ-CG 3.99Å; F577-W656 HydrophobicContact CZ-CG 3.99Å; F577-W656 HydrophobicContact CZ-CH2 4.02Å; F577-W656 AromaticContact CZ-CZ2 3.81Å; F577-W656 HydrophobicContact CZ-CZ2 3.81Å; F577-W656 HydrophobicContact CZ-CZ3 4Å; F577-W656 AromaticContact CZ-NE1 3.95Å |
| 578 | W | 97.4 | Very high | 95.5 | Very high | 11 Ų | 11 | 31 Ų | 31 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.9 | -34.4 | -179.5 | 69.7 | -104.2 | 0 | 0 | 0 | 113.2 | M460 V462 A468 F471 V564 L568 K575 Q576 A581 V582 | M460-W578 HydrophobicContact CB-CD2 4.44Å; M460-W578 HydrophobicContact CB-CZ2 3.89Å; M460-W578 HydrophobicContact CG-CD2 3.92Å; M460-W578 HydrophobicContact CG-CE3 4.13Å; M460-W578 HydrophobicContact CG-CH2 3.87Å; M460-W578 HydrophobicContact CG-CZ2 3.58Å; M460-W578 HydrophobicContact CG-CZ3 4.14Å; V462-W578 PolarHBondContact O-NE1 2.85Å; A468-W578 HydrophobicContact CB-CH2 4.04Å; A468-W578 HydrophobicContact CB-CZ2 4.15Å; A468-W578 WeakPolarHBondContact O-CZ2 3.29Å; F471-W578 HydrophobicContact CB-CZ3 4.19Å; F471-W578 HydrophobicContact CD1-CE3 4.29Å; F471-W578 HydrophobicContact CD1-CH2 4.43Å; F471-W578 AromaticContact CD1-CZ3 3.64Å; F471-W578 HydrophobicContact CD1-CZ3 3.64Å; F471-W578 HydrophobicContact CG-CZ3 4.35Å; V564-W578 HydrophobicContact CG1-CB 4.17Å; L568-W578 HydrophobicContact CD1-CB 4.36Å; K575-W578 WeakPolarHBondContact O-CB 3.12Å; K575-W578 PolarHBondContact O-N 2.74Å; Q576-W578 VanDerWaalsContact C-N 3.27Å; Q576-W578 PolarHBondContact O-N 2.79Å; W578-A581 PolarHBondContact O-N 3.24Å; W578-V582 HydrophobicContact CE3-CG1 4.31Å; W578-V582 HydrophobicContact CZ3-CG1 4.33Å; W578-V582 WeakPolarHBondContact O-CB 3.48Å; W578-V582 PolarHBondContact O-N 2.79Å |
| 579 | A | 96.8 | Very high | 95.5 | Very high | 6 Ų | 6 | 31.9 Ų | 31.9 | 5% | 0.05 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.6 | -36.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F577 V582 T583 | F577-A579 PolarHBondContact O-N 2.9Å; A579-V582 VanDerWaalsContact O-CG1 3.29Å; A579-V582 WeakPolarHBondContact O-CG1 3.42Å; A579-T583 WeakPolarHBondContact O-CB 2.97Å; A579-T583 PolarHBondContact O-N 2.97Å; A579-T583 PolarHBondContact O-OG1 3.24Å |
| 580 | E | 97.1 | Very high | 95.7 | Very high | 21 Ų | 21 | 26.3 Ų | 26.3 | 10% | 0.098 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -71.3 | -42.5 | 173.9 | -60.4 | -59.1 | 159.6 | 0 | 0 | 110.2 | F577 V582 T583 A584 V644 R654 | F577-E580 HydrophobicContact CD1-CG 4.36Å; F577-E580 PolarHBondContact O-N 3.2Å; F577-E580 VanDerWaalsContact O-N 3.14Å; E580-V582 PolarHBondContact O-N 2.66Å; E580-T583 PolarHBondContact O-N 2.98Å; E580-A584 WeakPolarHBondContact O-CB 3.49Å; E580-A584 PolarHBondContact O-N 3.11Å; E580-V644 HydrophobicContact CB-CB 4.05Å; E580-V644 HydrophobicContact CB-CG2 4.49Å; E580-V644 HydrophobicContact CG-CB 4.37Å; E580-V644 HydrophobicContact CG-CG2 4.37Å; E580-R654 VanDerWaalsContact CD-NH2 3.35Å; E580-R654 IonicContact OE1-CZ 3.76Å; E580-R654 IonicContact OE1-NE 2.88Å; E580-R654 IonicContact OE1-NH2 2.56Å; E580-R654 PolarHBondContact OE1-NH2 3.31Å; E580-R654 IonicContact OE2-CZ 3.25Å; E580-R654 IonicContact OE2-NE 3.9Å; E580-R654 PolarHBondContact OE2-NE 3.45Å; E580-R654 IonicContact OE2-NH2 2.76Å; E580-R654 PolarHBondContact OE2-NH2 3.45Å; E580-R654 VanDerWaalsContact OE2-NH2 3.16Å |
| 581 | A | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.8 | -45.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V564 M567 F577 W578 T583 A584 A585 Y618 | V564-A581 HydrophobicContact CB-CB 4.4Å; V564-A581 HydrophobicContact CG1-CB 4.08Å; V564-A581 HydrophobicContact CG2-CB 4.05Å; M567-A581 HydrophobicContact CE-CB 3.99Å; M567-A581 WeakPolarHBondContact CE-O 3.45Å; F577-A581 PolarHBondContact O-N 3.24Å; W578-A581 PolarHBondContact O-N 3.24Å; A581-T583 VanDerWaalsContact C-N 3.32Å; A581-T583 PolarHBondContact O-N 3.02Å; A581-A584 PolarHBondContact O-N 3.3Å; A581-A585 VanDerWaalsContact O-CB 3.32Å; A581-A585 WeakPolarHBondContact O-CB 3.28Å; A581-A585 PolarHBondContact O-N 3.43Å; A581-Y618 HydrophobicContact CB-CE1 4.41Å; A581-Y618 HydrophobicContact CB-CE2 4.29Å; A581-Y618 PolarHBondContact N-OH 2.77Å |
| 582 | V | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.4 | -36.7 | -179.1 | 73 | 0 | 0 | 0 | 0 | 111.5 | F471 V484 L560 V564 W578 A579 E580 A585 A586 | F471-V582 HydrophobicContact CD1-CG2 4.45Å; F471-V582 HydrophobicContact CD2-CG2 4.14Å; F471-V582 HydrophobicContact CE1-CG2 4.25Å; F471-V582 HydrophobicContact CE2-CG2 3.95Å; F471-V582 HydrophobicContact CG-CG2 4.38Å; F471-V582 HydrophobicContact CZ-CG2 4Å; V484-V582 HydrophobicContact CG1-CG1 3.93Å; V484-V582 HydrophobicContact CG1-CG2 4.11Å; V484-V582 HydrophobicContact CG2-CG2 4.39Å; L560-V582 HydrophobicContact CB-CG2 4.08Å; L560-V582 HydrophobicContact CD1-CG2 4.11Å; V564-V582 HydrophobicContact CG2-CB 3.79Å; V564-V582 HydrophobicContact CG2-CG2 4.26Å; W578-V582 HydrophobicContact CE3-CG1 4.31Å; W578-V582 HydrophobicContact CZ3-CG1 4.33Å; W578-V582 WeakPolarHBondContact O-CB 3.48Å; W578-V582 PolarHBondContact O-N 2.79Å; A579-V582 VanDerWaalsContact O-CG1 3.29Å; A579-V582 WeakPolarHBondContact O-CG1 3.42Å; E580-V582 PolarHBondContact O-N 2.66Å; V582-A585 PolarHBondContact O-N 2.83Å; V582-A586 PolarHBondContact O-N 3.29Å |
| 583 | T | 97 | Very high | 95.9 | Very high | 34 Ų | 34 | 25.9 Ų | 25.9 | 21% | 0.209 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.3 | -44.9 | 176.5 | -56.6 | 0 | 0 | 0 | 0 | 111 | A579 E580 A581 A586 Y587 I648 | A579-T583 WeakPolarHBondContact O-CB 2.97Å; A579-T583 PolarHBondContact O-N 2.97Å; A579-T583 PolarHBondContact O-OG1 3.24Å; E580-T583 PolarHBondContact O-N 2.98Å; A581-T583 VanDerWaalsContact C-N 3.32Å; A581-T583 PolarHBondContact O-N 3.02Å; T583-A586 PolarHBondContact O-N 2.78Å; T583-Y587 WeakPolarHBondContact O-CB 3.45Å; T583-Y587 PolarHBondContact O-N 3.27Å; T583-I648 HydrophobicContact CG2-CD1 4.21Å; T583-I648 HydrophobicContact CG2-CG1 4.42Å |
| 584 | A | 97.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 2% | 0.017 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.9 | -39.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M567 E580 A581 Y587 V588 Y618 | M567-A584 HydrophobicContact CE-CB 3.88Å; E580-A584 WeakPolarHBondContact O-CB 3.49Å; E580-A584 PolarHBondContact O-N 3.11Å; A581-A584 PolarHBondContact O-N 3.3Å; A584-Y587 WeakPolarHBondContact O-CB 3.34Å; A584-Y587 PolarHBondContact O-N 2.89Å; A584-V588 WeakPolarHBondContact O-CG2 3.29Å; A584-V588 PolarHBondContact O-N 2.85Å; A584-Y618 HydrophobicContact CB-CD2 4.01Å; A584-Y618 HydrophobicContact CB-CE2 4.15Å |
| 585 | A | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.3 | -45.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L560 L563 M567 A581 V582 V588 R589 | L560-A585 HydrophobicContact CD2-CB 3.91Å; L563-A585 HydrophobicContact CB-CB 3.95Å; L563-A585 HydrophobicContact CD1-CB 4.04Å; M567-A585 HydrophobicContact SD-CB 4.12Å; A581-A585 VanDerWaalsContact O-CB 3.32Å; A581-A585 WeakPolarHBondContact O-CB 3.28Å; A581-A585 PolarHBondContact O-N 3.43Å; V582-A585 PolarHBondContact O-N 2.83Å; A585-V588 PolarHBondContact O-N 3.29Å; A585-R589 VanDerWaalsContact O-CB 3.28Å; A585-R589 WeakPolarHBondContact O-CB 3.35Å; A585-R589 PolarHBondContact O-N 2.92Å |
| 586 | A | 97.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 3% | 0.033 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.9 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V482 V484 L560 V582 T583 V588 R589 N590 | V482-A586 HydrophobicContact CG1-CB 4.28Å; V484-A586 HydrophobicContact CB-CB 4.31Å; V484-A586 HydrophobicContact CG2-CB 3.68Å; L560-A586 HydrophobicContact CD2-CB 4.16Å; V582-A586 PolarHBondContact O-N 3.29Å; T583-A586 PolarHBondContact O-N 2.78Å; A586-V588 PolarHBondContact O-N 3.32Å; A586-R589 PolarHBondContact O-N 3.18Å; A586-N590 VanDerWaalsContact O-CG 3.29Å; A586-N590 PolarHBondContact O-N 3.46Å; A586-N590 VanDerWaalsContact O-N 3.1Å; A586-N590 PolarHBondContact O-ND2 3.04Å |
| 587 | Y | 97.4 | Very high | 93.5 | Very high | 56 Ų | 56 | 21.2 Ų | 21.2 | 22% | 0.22 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.2 | -46.7 | 177.6 | -175 | -85.5 | 0 | 0 | 0 | 112.4 | T583 A584 R591 H614 L615 Y646 | T583-Y587 WeakPolarHBondContact O-CB 3.45Å; T583-Y587 PolarHBondContact O-N 3.27Å; A584-Y587 WeakPolarHBondContact O-CB 3.34Å; A584-Y587 PolarHBondContact O-N 2.89Å; Y587-R591 VanDerWaalsContact CE2-NH1 3.3Å; Y587-R591 VanDerWaalsContact CG-NH1 3.31Å; Y587-R591 VanDerWaalsContact CZ-NH2 3.27Å; Y587-R591 WeakPolarHBondContact O-CG 3.42Å; Y587-R591 PolarHBondContact O-NH1 2.72Å; Y587-R591 PolarHBondContact OH-NH2 2.96Å; Y587-H614 AromaticContact CE1-NE2 3.61Å; Y587-H614 AromaticContact CZ-NE2 3.67Å; Y587-H614 PolarHBondContact OH-NE2 2.81Å; Y587-L615 HydrophobicContact CD1-CD2 4.26Å; Y587-L615 HydrophobicContact CE1-CD2 3.85Å; Y587-Y646 HydrophobicContact CD1-CD1 4.21Å; Y587-Y646 AromaticContact CD1-CD2 3.18Å; Y587-Y646 HydrophobicContact CD1-CD2 3.18Å; Y587-Y646 AromaticContact CD1-CE2 3.6Å; Y587-Y646 HydrophobicContact CD1-CE2 3.6Å; Y587-Y646 AromaticContact CD1-CG 3.54Å; Y587-Y646 HydrophobicContact CD1-CG 3.54Å; Y587-Y646 HydrophobicContact CD2-CD2 4.29Å; Y587-Y646 HydrophobicContact CD2-CG 4.25Å; Y587-Y646 AromaticContact CE1-CD1 3.74Å; Y587-Y646 HydrophobicContact CE1-CD1 3.74Å; Y587-Y646 AromaticContact CE1-CD2 3.62Å; Y587-Y646 HydrophobicContact CE1-CD2 3.62Å; Y587-Y646 HydrophobicContact CE1-CE1 4.13Å; Y587-Y646 HydrophobicContact CE1-CE2 4.03Å; Y587-Y646 AromaticContact CE1-CG 3.46Å; Y587-Y646 HydrophobicContact CE1-CG 3.46Å; Y587-Y646 VanDerWaalsContact CE1-CG 3.46Å; Y587-Y646 HydrophobicContact CE2-CG 4.17Å; Y587-Y646 AromaticContact CG-CD2 3.58Å; Y587-Y646 HydrophobicContact CG-CD2 3.58Å; Y587-Y646 HydrophobicContact CG-CE2 4.34Å; Y587-Y646 AromaticContact CG-CG 3.95Å; Y587-Y646 HydrophobicContact CG-CG 3.95Å; Y587-Y646 AromaticContact CZ-CG 3.78Å |
| 588 | V | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -71.6 | -41.5 | -179.9 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | F393 C394 V396 A584 A585 A586 N590 R591 L615 Y646 | F393-V588 HydrophobicContact CB-CG1 3.85Å; F393-V588 HydrophobicContact CD1-CG1 3.39Å; F393-V588 HydrophobicContact CE1-CG1 4.28Å; F393-V588 HydrophobicContact CG-CG1 3.95Å; F393-V588 WeakPolarHBondContact O-CG1 3.47Å; C394-V588 HydrophobicContact CB-CG2 4.49Å; V396-V588 HydrophobicContact CG2-CG1 4.28Å; A584-V588 WeakPolarHBondContact O-CG2 3.29Å; A584-V588 PolarHBondContact O-N 2.85Å; A585-V588 PolarHBondContact O-N 3.29Å; A586-V588 PolarHBondContact O-N 3.32Å; V588-N590 PolarHBondContact O-N 2.86Å; V588-R591 WeakPolarHBondContact O-CA 3.43Å; V588-R591 PolarHBondContact O-N 3.44Å; V588-L615 HydrophobicContact CG2-CD2 4.35Å; V588-Y646 HydrophobicContact CG2-CE2 3.98Å |
| 589 | R | 95.3 | Very high | 92.6 | Very high | 44 Ų | 44 | 26.7 Ų | 26.7 | 17% | 0.166 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.9 | -34.5 | 178.7 | -175.4 | -179.2 | 178.6 | 84.2 | -0.6 | 112.5 | A585 A586 R591 | A585-R589 VanDerWaalsContact O-CB 3.28Å; A585-R589 WeakPolarHBondContact O-CB 3.35Å; A585-R589 PolarHBondContact O-N 2.92Å; A586-R589 PolarHBondContact O-N 3.18Å; R589-R591 PolarHBondContact O-N 3.3Å |
| 590 | N | 97 | Very high | 92.4 | Very high | 8 Ų | 8 | 26.6 Ų | 26.6 | 4% | 0.043 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -12.8 | 175.4 | -68.7 | -25 | 0 | 0 | 0 | 113.5 | K481 V482 A586 V588 V600 P601 E602 | K481-N590 WeakPolarHBondContact CA-OD1 3.25Å; V482-N590 PolarHBondContact N-OD1 2.84Å; V482-N590 PolarHBondContact O-ND2 3.22Å; A586-N590 VanDerWaalsContact O-CG 3.29Å; A586-N590 PolarHBondContact O-N 3.46Å; A586-N590 VanDerWaalsContact O-N 3.1Å; A586-N590 PolarHBondContact O-ND2 3.04Å; V588-N590 PolarHBondContact O-N 2.86Å; N590-V600 VanDerWaalsContact O-CG1 3.28Å; N590-V600 WeakPolarHBondContact O-CG1 3.38Å; N590-P601 WeakPolarHBondContact O-CD 3.27Å; N590-E602 HydrophobicContact CB-CB 4.35Å; N590-E602 WeakPolarHBondContact O-CB 2.95Å; N590-E602 PolarHBondContact O-N 3.48Å |
| 591 | R | 96.2 | Very high | 92.3 | Very high | 31 Ų | 31 | 25.7 Ų | 25.7 | 12% | 0.117 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 20.1 | -173.1 | -60.6 | 178.5 | 165.9 | 65.5 | 5 | 113.4 | Y587 V588 R589 I610 V612 | Y587-R591 VanDerWaalsContact CE2-NH1 3.3Å; Y587-R591 VanDerWaalsContact CG-NH1 3.31Å; Y587-R591 VanDerWaalsContact CZ-NH2 3.27Å; Y587-R591 WeakPolarHBondContact O-CG 3.42Å; Y587-R591 PolarHBondContact O-NH1 2.72Å; Y587-R591 PolarHBondContact OH-NH2 2.96Å; V588-R591 WeakPolarHBondContact O-CA 3.43Å; V588-R591 PolarHBondContact O-N 3.44Å; R589-R591 PolarHBondContact O-N 3.3Å; R591-I610 HydrophobicContact CB-CD1 3.56Å; R591-I610 HydrophobicContact CG-CD1 3.56Å; R591-V612 HydrophobicContact CB-CG1 4.01Å |
| 592 | V | 93.6 | Very high | 92.2 | Very high | 9 Ų | 9 | 26.5 Ų | 26.5 | 6% | 0.055 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -130.1 | 158.4 | 175.6 | 78.1 | 0 | 0 | 0 | 0 | 110 | F393 V396 V400 L401 T404 H594 P601 | F393-V592 HydrophobicContact CD1-CB 4.43Å; F393-V592 HydrophobicContact CE1-CB 4.2Å; F393-V592 HydrophobicContact CE1-CG2 4.38Å; V396-V592 HydrophobicContact CG1-CG1 4.42Å; V396-V592 HydrophobicContact CG1-CG2 4.42Å; V400-V592 HydrophobicContact CG1-CG1 4.18Å; V400-V592 HydrophobicContact CG1-CG2 3.56Å; L401-V592 HydrophobicContact CD2-CG2 3.94Å; T404-V592 HydrophobicContact CG2-CG2 4.24Å; T404-V592 WeakPolarHBondContact OG1-CG2 3.31Å; V592-H594 PolarHBondContact O-N 2.6Å; V592-P601 WeakPolarHBondContact O-CD 3.5Å |
| 593 | L | 91.7 | Very high | 92 | Very high | 8 Ų | 8 | 28.1 Ų | 28.1 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | trans | -61.6 | 128.4 | 176.5 | -76.1 | -178.3 | 0 | 0 | 0 | 111.6 | V400 K403 T404 H407 A409 N598 S599 V600 | V400-L593 WeakPolarHBondContact CG1-O 3.29Å; K403-L593 HydrophobicContact CG-CD1 3.99Å; T404-L593 HydrophobicContact CG2-CG 4.17Å; T404-L593 WeakPolarHBondContact OG1-CB 3.45Å; T404-L593 PolarHBondContact OG1-N 3.31Å; T404-L593 VanDerWaalsContact OG1-N 3.11Å; H407-L593 HydrophobicContact CB-CD1 4.14Å; A409-L593 HydrophobicContact CB-CD1 4.05Å; A409-L593 HydrophobicContact CB-CD2 3.51Å; A409-L593 HydrophobicContact CB-CG 3.71Å; L593-N598 VanDerWaalsContact CD2-C 3.5Å; L593-N598 WeakPolarHBondContact CD2-O 3.5Å; L593-S599 VanDerWaalsContact CD2-C 3.49Å; L593-V600 HydrophobicContact CD2-CG2 3.87Å; L593-V600 HydrophobicContact CG-CG2 4.43Å | ||
| 594 | H | 90 | Very high | 91.7 | Very high | 36 Ų | 36 | 28.9 Ų | 28.9 | 17% | 0.167 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -88.4 | 134.4 | 169.6 | -164.4 | -88 | 0 | 0 | 0 | 110.4 | R480 V592 S596 N597 N598 S599 P601 | R480-H594 HydrophobicContact CB-CB 4.49Å; V592-H594 PolarHBondContact O-N 2.6Å; H594-S596 VanDerWaalsContact C-N 3.26Å; H594-S596 PolarHBondContact CE1-OG 3.32Å; H594-S596 VanDerWaalsContact CE1-OG 3.29Å; H594-S596 PolarHBondContact ND1-N 3.43Å; H594-S596 PolarHBondContact ND1-OG 3.34Å; H594-S596 PolarHBondContact O-N 3.2Å; H594-N597 PolarHBondContact O-N 2.84Å; H594-N597 PolarHBondContact O-OD1 2.9Å; H594-N598 WeakPolarHBondContact O-CA 3.49Å; H594-N598 PolarHBondContact O-N 3.1Å; H594-S599 PolarHBondContact N-O 3.22Å; H594-P601 HydrophobicContact CB-CG 4.21Å |
| 595 | S | 81.8 | Confident | 91.6 | Very high | 94 Ų | 94 | 29.3 Ų | 29.3 | 66% | 0.657 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -28.7 | -174.1 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 596 | S | 76 | Confident | 91.2 | Very high | 58 Ų | 58 | 33.5 Ų | 33.5 | 41% | 0.406 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -28.5 | -177 | 68.7 | 0 | 0 | 0 | 0 | 114.7 | H594 | H594-S596 VanDerWaalsContact C-N 3.26Å; H594-S596 PolarHBondContact CE1-OG 3.32Å; H594-S596 VanDerWaalsContact CE1-OG 3.29Å; H594-S596 PolarHBondContact ND1-N 3.43Å; H594-S596 PolarHBondContact ND1-OG 3.34Å; H594-S596 PolarHBondContact O-N 3.2Å |
| 597 | N | 77.7 | Confident | 90.5 | Very high | 20 Ų | 20 | 36.4 Ų | 36.4 | 11% | 0.107 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124 | -0.9 | -176.6 | 60.9 | 15.5 | 0 | 0 | 0 | 113 | F478 S479 H594 S599 L604 | F478-N597 PolarHBondContact O-ND2 3.22Å; S479-N597 PolarHBondContact O-ND2 2.86Å; H594-N597 PolarHBondContact O-N 2.84Å; H594-N597 PolarHBondContact O-OD1 2.9Å; N597-S599 PolarHBondContact O-N 3.36Å; N597-S599 PolarHBondContact O-OG 2.84Å; N597-S599 PolarHBondContact OD1-N 3.41Å; N597-S599 PolarHBondContact OD1-O 3.2Å; N597-S599 VanDerWaalsContact OD1-O 3.11Å; N597-L604 VanDerWaalsContact ND2-CD1 3.31Å; N597-L604 WeakPolarHBondContact ND2-CD1 3.48Å |
| 598 | N | 83.9 | Confident | 89.9 | Confident | 91 Ų | 91 | 39.5 Ų | 39.5 | 49% | 0.487 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.9 | 34.3 | -173.2 | -67.8 | -33.4 | 0 | 0 | 0 | 112.4 | K403 L593 H594 | K403-N598 VanDerWaalsContact CE-OD1 3.28Å; K403-N598 WeakPolarHBondContact CE-OD1 3.47Å; K403-N598 PolarHBondContact NZ-OD1 3.28Å; L593-N598 VanDerWaalsContact CD2-C 3.5Å; L593-N598 WeakPolarHBondContact CD2-O 3.5Å; H594-N598 WeakPolarHBondContact O-CA 3.49Å; H594-N598 PolarHBondContact O-N 3.1Å |
| 599 | S | 89.3 | Confident | 89.2 | Confident | 39 Ų | 39 | 44.7 Ų | 44.7 | 27% | 0.273 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -133.2 | 160.3 | -177.1 | -61.1 | 0 | 0 | 0 | 0 | 109.9 | L593 H594 N597 | L593-S599 VanDerWaalsContact CD2-C 3.49Å; H594-S599 PolarHBondContact N-O 3.22Å; N597-S599 PolarHBondContact O-N 3.36Å; N597-S599 PolarHBondContact O-OG 2.84Å; N597-S599 PolarHBondContact OD1-N 3.41Å; N597-S599 PolarHBondContact OD1-O 3.2Å; N597-S599 VanDerWaalsContact OD1-O 3.11Å |
| 600 | V | 93.4 | Very high | 88.9 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | trans | -87.2 | 123.3 | 177.1 | -178.7 | 0 | 0 | 0 | 0 | 108.6 | A409 V410 N590 L593 E602 T603 L604 I610 | A409-V600 HydrophobicContact CB-CG2 3.82Å; V410-V600 HydrophobicContact CG1-CB 4.49Å; V410-V600 HydrophobicContact CG1-CG1 4.15Å; V410-V600 HydrophobicContact CG1-CG2 3.68Å; N590-V600 VanDerWaalsContact O-CG1 3.28Å; N590-V600 WeakPolarHBondContact O-CG1 3.38Å; L593-V600 HydrophobicContact CD2-CG2 3.87Å; L593-V600 HydrophobicContact CG-CG2 4.43Å; V600-E602 VanDerWaalsContact C-N 3.33Å; V600-E602 PolarHBondContact O-N 2.59Å; V600-T603 WeakPolarHBondContact O-CB 3.48Å; V600-T603 PolarHBondContact O-N 2.8Å; V600-L604 PolarHBondContact O-N 3.42Å; V600-I610 HydrophobicContact CG1-CD1 3.6Å; V600-I610 HydrophobicContact CG1-CG1 4.19Å | ||
| 601 | P | 95 | Very high | 88.5 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.2 | -44.3 | -175.7 | -29.1 | 34.9 | 0 | 0 | 0 | 114.4 | S479 K481 N590 V592 H594 T603 L604 W605 | S479-P601 VanDerWaalsContact O-CA 3.31Å; S479-P601 WeakPolarHBondContact O-CA 3.42Å; S479-P601 WeakPolarHBondContact O-CB 3.44Å; K481-P601 HydrophobicContact CB-CB 4.16Å; N590-P601 WeakPolarHBondContact O-CD 3.27Å; V592-P601 WeakPolarHBondContact O-CD 3.5Å; H594-P601 HydrophobicContact CB-CG 4.21Å; P601-T603 VanDerWaalsContact C-N 3.32Å; P601-T603 PolarHBondContact O-N 2.99Å; P601-L604 PolarHBondContact O-N 3.27Å; P601-W605 WeakPolarHBondContact O-CB 3.42Å; P601-W605 PolarHBondContact O-N 3.01Å |
| 602 | E | 95.2 | Very high | 88.4 | Confident | 17 Ų | 17 | 43.9 Ų | 43.9 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.9 | -36 | 178.8 | -163.8 | 66.3 | -152.3 | 0 | 0 | 112.2 | K481 N590 V600 W605 L606 I610 | K481-E602 WeakPolarHBondContact CE-OE2 3.19Å; K481-E602 IonicContact NZ-OE1 3.56Å; K481-E602 PolarHBondContact NZ-OE1 3.45Å; K481-E602 IonicContact NZ-OE2 2.86Å; K481-E602 PolarHBondContact NZ-OE2 3.24Å; N590-E602 HydrophobicContact CB-CB 4.35Å; N590-E602 WeakPolarHBondContact O-CB 2.95Å; N590-E602 PolarHBondContact O-N 3.48Å; V600-E602 VanDerWaalsContact C-N 3.33Å; V600-E602 PolarHBondContact O-N 2.59Å; E602-W605 PolarHBondContact O-N 3.45Å; E602-L606 HydrophobicContact CG-CD1 3.89Å; E602-L606 HydrophobicContact CG-CG 4.42Å; E602-L606 WeakPolarHBondContact O-CB 3.41Å; E602-L606 WeakPolarHBondContact O-CG 3.11Å; E602-L606 PolarHBondContact O-N 2.97Å; E602-L606 WeakPolarHBondContact OE1-CD1 3.15Å; E602-I610 HydrophobicContact CB-CD1 4.23Å; E602-I610 HydrophobicContact CB-CG2 4.16Å; E602-I610 HydrophobicContact CG-CG2 3.94Å |
| 603 | T | 92.5 | Very high | 88.2 | Confident | 34 Ų | 34 | 48.6 Ų | 48.6 | 21% | 0.209 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.5 | -40.5 | 176.2 | -67.2 | 0 | 0 | 0 | 0 | 111.7 | V600 P601 W605 G607 K608 | V600-T603 WeakPolarHBondContact O-CB 3.48Å; V600-T603 PolarHBondContact O-N 2.8Å; P601-T603 VanDerWaalsContact C-N 3.32Å; P601-T603 PolarHBondContact O-N 2.99Å; T603-W605 VanDerWaalsContact C-N 3.33Å; T603-G607 VanDerWaalsContact O-CA 3.25Å; T603-G607 WeakPolarHBondContact O-CA 3.34Å; T603-G607 PolarHBondContact O-N 3.44Å; T603-K608 WeakPolarHBondContact CA-O 3.4Å; T603-K608 WeakPolarHBondContact CG2-O 3.44Å; T603-K608 PolarHBondContact OG1-O 3.31Å |
| 604 | L | 91.8 | Very high | 88.3 | Confident | 50 Ų | 50 | 50.8 Ų | 50.8 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.3 | -36.4 | 174.3 | -71.5 | -179.3 | 0 | 0 | 0 | 112.1 | F478 N597 V600 P601 | F478-L604 HydrophobicContact CE1-CD2 4.46Å; N597-L604 VanDerWaalsContact ND2-CD1 3.31Å; N597-L604 WeakPolarHBondContact ND2-CD1 3.48Å; V600-L604 PolarHBondContact O-N 3.42Å; P601-L604 PolarHBondContact O-N 3.27Å |
| 605 | W | 94 | Very high | 88.6 | Confident | 11 Ų | 11 | 49 Ų | 49 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.2 | -46.9 | 178.4 | -174.6 | -91.8 | 0 | 0 | 0 | 112.8 | V448 L449 D476 K481 F500 A504 T508 P601 E602 T603 | V448-W605 HydrophobicContact CB-CE3 4.43Å; V448-W605 HydrophobicContact CG1-CE3 4.28Å; L449-W605 HydrophobicContact CD2-CH2 3.52Å; L449-W605 HydrophobicContact CD2-CZ3 3.74Å; L449-W605 HydrophobicContact CG-CH2 4.42Å; D476-W605 HydrophobicContact CB-CE3 4.31Å; D476-W605 HydrophobicContact CB-CZ3 3.78Å; K481-W605 HydrophobicContact CB-CE3 4.14Å; K481-W605 HydrophobicContact CD-CB 3.73Å; K481-W605 HydrophobicContact CD-CD2 3.45Å; K481-W605 VanDerWaalsContact CD-CD2 3.45Å; K481-W605 HydrophobicContact CD-CE3 3.83Å; K481-W605 HydrophobicContact CD-CG 3.4Å; K481-W605 VanDerWaalsContact NZ-CD1 3.32Å; F500-W605 HydrophobicContact CE2-CH2 4.2Å; F500-W605 HydrophobicContact CZ-CH2 4.18Å; A504-W605 HydrophobicContact CB-CH2 3.88Å; A504-W605 HydrophobicContact CB-CZ2 3.8Å; T508-W605 HydrophobicContact CG2-CD2 4.1Å; T508-W605 HydrophobicContact CG2-CH2 4.42Å; T508-W605 HydrophobicContact CG2-CZ2 3.88Å; P601-W605 WeakPolarHBondContact O-CB 3.42Å; P601-W605 PolarHBondContact O-N 3.01Å; E602-W605 PolarHBondContact O-N 3.45Å; T603-W605 VanDerWaalsContact C-N 3.33Å |
| 606 | L | 89 | Confident | 89.2 | Confident | 88 Ų | 88 | 47.4 Ų | 47.4 | 46% | 0.461 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -88.1 | -18 | -176.7 | -64.1 | 176.9 | 0 | 0 | 0 | 113.7 | E602 K608 | E602-L606 HydrophobicContact CG-CD1 3.89Å; E602-L606 HydrophobicContact CG-CG 4.42Å; E602-L606 WeakPolarHBondContact O-CB 3.41Å; E602-L606 WeakPolarHBondContact O-CG 3.11Å; E602-L606 PolarHBondContact O-N 2.97Å; E602-L606 WeakPolarHBondContact OE1-CD1 3.15Å; L606-K608 HydrophobicContact CB-CB 4.47Å; L606-K608 PolarHBondContact O-N 3.35Å |
| 607 | G | 84.7 | Confident | 90.2 | Very high | 66 Ų | 66 | 44.9 Ų | 44.9 | 68% | 0.68 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 67 | 18.4 | -170 | 0 | 0 | 0 | 0 | 0 | 113.9 | T603 | T603-G607 VanDerWaalsContact O-CA 3.25Å; T603-G607 WeakPolarHBondContact O-CA 3.34Å; T603-G607 PolarHBondContact O-N 3.44Å |
| 608 | K | 83.6 | Confident | 91.1 | Very high | 120 Ų | 120 | 44.2 Ų | 44.2 | 52% | 0.522 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -132.1 | 147 | -176.3 | -65.2 | -176.1 | -177.7 | -179.6 | 0 | 111.7 | T603 L606 | T603-K608 WeakPolarHBondContact CA-O 3.4Å; T603-K608 WeakPolarHBondContact CG2-O 3.44Å; T603-K608 PolarHBondContact OG1-O 3.31Å; L606-K608 HydrophobicContact CB-CB 4.47Å; L606-K608 PolarHBondContact O-N 3.35Å |
| 609 | S | 82.1 | Confident | 91.7 | Very high | 109 Ų | 109 | 39.9 Ų | 39.9 | 76% | 0.762 | 22% | 0.224 | S | C | * | . | trans | -63.4 | 141.1 | 172 | -62.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 610 | I | 87.9 | Confident | 92 | Very high | 17 Ų | 17 | 38 Ų | 38 | 9% | 0.087 | 21% | 0.211 | C | C | . | . | trans | -111.1 | 154.8 | -178.8 | 65.1 | 156.9 | 0 | 0 | 0 | 111.5 | V410 S411 R591 V600 E602 V612 | V410-I610 HydrophobicContact CB-CG1 4.29Å; V410-I610 HydrophobicContact CG1-CD1 3.81Å; V410-I610 HydrophobicContact CG1-CG1 3.73Å; S411-I610 PolarHBondContact N-O 3.39Å; R591-I610 HydrophobicContact CB-CD1 3.56Å; R591-I610 HydrophobicContact CG-CD1 3.56Å; V600-I610 HydrophobicContact CG1-CD1 3.6Å; V600-I610 HydrophobicContact CG1-CG1 4.19Å; E602-I610 HydrophobicContact CB-CD1 4.23Å; E602-I610 HydrophobicContact CB-CG2 4.16Å; E602-I610 HydrophobicContact CG-CG2 3.94Å; I610-V612 HydrophobicContact CD1-CG1 4.47Å | ||
| 611 | S | 90 | Very high | 92.1 | Very high | 50 Ų | 50 | 37.9 Ų | 37.9 | 35% | 0.35 | 21% | 0.21 | S | C | . | . | B | Isolated β-bridge | trans | -105.8 | 147.5 | 171.3 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | S411 R613 H614 | S411-S611 CarbonylContact O-C 3.6Å; S411-S611 WeakPolarHBondContact O-CA 3.45Å; S611-R613 PolarHBondContact OG-N 3.24Å; S611-H614 PolarHBondContact O-CE1 2.81Å; S611-H614 VanDerWaalsContact O-CE1 3.24Å |
| 612 | V | 92.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -121 | 11.1 | 175.8 | -62.7 | 0 | 0 | 0 | 0 | 112.9 | W389 F393 V410 S411 L413 R591 I610 H614 L615 | W389-V612 HydrophobicContact CH2-CG2 4.41Å; W389-V612 HydrophobicContact CZ3-CG2 4.44Å; F393-V612 HydrophobicContact CE1-CG1 4.5Å; F393-V612 HydrophobicContact CE2-CG2 4.42Å; F393-V612 HydrophobicContact CZ-CB 4Å; F393-V612 HydrophobicContact CZ-CG1 3.97Å; F393-V612 HydrophobicContact CZ-CG2 4.04Å; V410-V612 HydrophobicContact CB-CG1 4.04Å; V410-V612 HydrophobicContact CB-CG2 4.32Å; V410-V612 HydrophobicContact CG1-CG1 4.27Å; V410-V612 HydrophobicContact CG2-CB 4.49Å; V410-V612 HydrophobicContact CG2-CG1 4Å; V410-V612 HydrophobicContact CG2-CG2 3.64Å; S411-V612 WeakPolarHBondContact O-CG2 3.13Å; S411-V612 PolarHBondContact O-N 3.03Å; L413-V612 HydrophobicContact CB-CG2 3.86Å; R591-V612 HydrophobicContact CB-CG1 4.01Å; I610-V612 HydrophobicContact CD1-CG1 4.47Å; V612-H614 PolarHBondContact O-N 2.85Å; V612-L615 HydrophobicContact CB-CD1 3.81Å; V612-L615 HydrophobicContact CB-CG 4.04Å; V612-L615 HydrophobicContact CG1-CD1 4.11Å; V612-L615 WeakPolarHBondContact O-CB 3.35Å; V612-L615 WeakPolarHBondContact O-CG 3.28Å; V612-L615 PolarHBondContact O-N 2.97Å | ||
| 613 | R | 89.9 | Confident | 92.2 | Very high | 107 Ų | 107 | 41.3 Ų | 41.3 | 40% | 0.404 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -27.6 | -179.1 | -64.3 | -177.4 | -176.8 | -167.7 | -5.1 | 113.8 | S611 L615 R616 | S611-R613 PolarHBondContact OG-N 3.24Å; R613-L615 VanDerWaalsContact C-N 3.32Å; R613-R616 PolarHBondContact O-NH1 3.34Å |
| 614 | H | 93.3 | Very high | 92.3 | Very high | 54 Ų | 54 | 39.8 Ų | 39.8 | 25% | 0.25 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -6.4 | 179.8 | 66.8 | -72 | 0 | 0 | 0 | 112.9 | Y587 S611 V612 R616 Y653 | Y587-H614 AromaticContact CE1-NE2 3.61Å; Y587-H614 AromaticContact CZ-NE2 3.67Å; Y587-H614 PolarHBondContact OH-NE2 2.81Å; S611-H614 PolarHBondContact O-CE1 2.81Å; S611-H614 VanDerWaalsContact O-CE1 3.24Å; V612-H614 PolarHBondContact O-N 2.85Å; H614-R616 PolarHBondContact O-N 2.85Å; H614-Y653 WeakPolarHBondContact O-CE1 3.46Å; H614-Y653 PolarHBondContact O-OH 3.48Å |
| 615 | L | 95.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -65.1 | 139.1 | 177 | -59.7 | -174.3 | 0 | 0 | 0 | 110.3 | R392 F393 Y587 V588 V612 R613 Y646 | R392-L615 HydrophobicContact CB-CB 4.33Å; R392-L615 WeakPolarHBondContact CD-O 3.43Å; F393-L615 HydrophobicContact CD1-CD1 4.01Å; F393-L615 HydrophobicContact CD2-CD1 4.05Å; F393-L615 HydrophobicContact CE1-CD1 3.68Å; F393-L615 HydrophobicContact CE2-CD1 3.74Å; F393-L615 HydrophobicContact CG-CD1 4.17Å; F393-L615 HydrophobicContact CZ-CD1 3.55Å; Y587-L615 HydrophobicContact CD1-CD2 4.26Å; Y587-L615 HydrophobicContact CE1-CD2 3.85Å; V588-L615 HydrophobicContact CG2-CD2 4.35Å; V612-L615 HydrophobicContact CB-CD1 3.81Å; V612-L615 HydrophobicContact CB-CG 4.04Å; V612-L615 HydrophobicContact CG1-CD1 4.11Å; V612-L615 WeakPolarHBondContact O-CB 3.35Å; V612-L615 WeakPolarHBondContact O-CG 3.28Å; V612-L615 PolarHBondContact O-N 2.97Å; R613-L615 VanDerWaalsContact C-N 3.32Å; L615-Y646 WeakPolarHBondContact CA-OH 3.46Å; L615-Y646 HydrophobicContact CD2-CE1 3.75Å; L615-Y646 HydrophobicContact CD2-CE2 4.21Å; L615-Y646 WeakPolarHBondContact CD2-OH 3.25Å | ||
| 616 | R | 95.6 | Very high | 91.6 | Very high | 59 Ų | 59 | 43.5 Ų | 43.5 | 22% | 0.223 | 23% | 0.229 | C | C | . | . | trans | -135.3 | 152.6 | -178.7 | -66.4 | -66 | 179 | -104.1 | 7.2 | 109.5 | R613 H614 Y618 Y646 Y653 F675 E677 | R613-R616 PolarHBondContact O-NH1 3.34Å; H614-R616 PolarHBondContact O-N 2.85Å; R616-Y618 PolarHBondContact O-N 3.06Å; R616-Y646 PolarHBondContact N-OH 3.14Å; R616-Y646 PolarHBondContact O-OH 3.45Å; R616-Y653 HydrophobicContact CG-CE1 3.96Å; R616-F675 HydrophobicContact CB-CD1 4.47Å; R616-F675 HydrophobicContact CB-CE1 4.49Å; R616-F675 HydrophobicContact CG-CD1 4.37Å; R616-F675 HydrophobicContact CG-CD2 3.72Å; R616-F675 HydrophobicContact CG-CE1 4.41Å; R616-F675 HydrophobicContact CG-CE2 3.76Å; R616-F675 HydrophobicContact CG-CG 4.03Å; R616-F675 HydrophobicContact CG-CZ 4.11Å; R616-E677 VanDerWaalsContact CD-CD 3.42Å; R616-E677 WeakPolarHBondContact CD-OE1 3.48Å; R616-E677 IonicContact NE-OE1 2.94Å | ||
| 617 | T | 95.6 | Very high | 91 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | trans | -60.9 | 125.5 | 179.5 | -59.7 | 0 | 0 | 0 | 0 | 110.4 | K391 G619 C620 E677 M680 | K391-T617 HydrophobicContact CB-CG2 3.84Å; T617-G619 PolarHBondContact O-N 3.38Å; T617-C620 WeakPolarHBondContact O-CB 3.48Å; T617-C620 PolarHBondContact O-N 2.85Å; T617-C620 PolarHBondContact O-SG 3.25Å; T617-E677 WeakPolarHBondContact CB-OE2 3.48Å; T617-E677 PolarHBondContact N-OE2 3.17Å; T617-E677 PolarHBondContact OG1-OE2 2.76Å; T617-M680 HydrophobicContact CG2-CE 3.94Å | ||
| 618 | Y | 97.4 | Very high | 90.1 | Very high | 6 Ų | 6 | 50 Ų | 50 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 135.7 | 176.2 | -176.3 | -88.7 | 0 | 0 | 0 | 110.3 | M567 L573 A581 A584 R616 C620 V644 | M567-Y618 HydrophobicContact CB-CD1 3.88Å; M567-Y618 HydrophobicContact CB-CE1 4.23Å; M567-Y618 HydrophobicContact CB-CG 4.38Å; M567-Y618 HydrophobicContact CE-CD1 3.8Å; M567-Y618 HydrophobicContact CE-CD2 3.15Å; M567-Y618 HydrophobicContact CE-CE1 4.14Å; M567-Y618 HydrophobicContact CE-CE2 3.5Å; M567-Y618 VanDerWaalsContact CE-CE2 3.5Å; M567-Y618 HydrophobicContact CE-CG 3.3Å; M567-Y618 HydrophobicContact CG-CD1 4.49Å; L573-Y618 HydrophobicContact CD1-CE1 3.77Å; A581-Y618 HydrophobicContact CB-CE1 4.41Å; A581-Y618 HydrophobicContact CB-CE2 4.29Å; A581-Y618 PolarHBondContact N-OH 2.77Å; A584-Y618 HydrophobicContact CB-CD2 4.01Å; A584-Y618 HydrophobicContact CB-CE2 4.15Å; R616-Y618 PolarHBondContact O-N 3.06Å; Y618-C620 VanDerWaalsContact C-N 3.29Å; Y618-C620 PolarHBondContact O-N 2.93Å; Y618-V644 WeakPolarHBondContact CE2-O 3.34Å |
| 619 | G | 96.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 0.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | T617 M643 G681 | T617-G619 PolarHBondContact O-N 3.38Å; G619-M643 WeakPolarHBondContact CA-O 3.26Å; G619-M643 PolarHBondContact N-O 2.81Å; G619-G681 PolarHBondContact O-N 3.39Å |
| 620 | C | 96.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 155.3 | 176.8 | 72.2 | 0 | 0 | 0 | 0 | 112.3 | T617 Y618 A622 M643 E677 R679 M680 | T617-C620 WeakPolarHBondContact O-CB 3.48Å; T617-C620 PolarHBondContact O-N 2.85Å; T617-C620 PolarHBondContact O-SG 3.25Å; Y618-C620 VanDerWaalsContact C-N 3.29Å; Y618-C620 PolarHBondContact O-N 2.93Å; C620-A622 PolarHBondContact O-N 2.85Å; C620-M643 PolarHBondContact O-N 3.09Å; C620-E677 HydrophobicContact CB-CG 4.37Å; C620-R679 WeakPolarHBondContact CA-O 3.42Å; C620-M680 HydrophobicContact CB-CE 4.17Å |
| 621 | L | 96.2 | Very high | 87.8 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 132.8 | 173 | -176.4 | 66.9 | 0 | 0 | 0 | 110.5 | Y623 V676 R679 T684 L685 | L621-Y623 HydrophobicContact CD2-CE2 3.79Å; L621-Y623 HydrophobicContact CG-CE2 3.96Å; L621-V676 HydrophobicContact CB-CB 4.27Å; L621-V676 HydrophobicContact CD2-CB 4.31Å; L621-V676 PolarHBondContact O-N 3.33Å; L621-R679 HydrophobicContact CB-CB 4.41Å; L621-R679 PolarHBondContact N-O 2.75Å; L621-T684 HydrophobicContact CD2-CG2 4.05Å; L621-L685 HydrophobicContact CD1-CD1 4.15Å; L621-L685 HydrophobicContact CD1-CD2 4.06Å; L621-L685 HydrophobicContact CD1-CG 4.06Å |
| 622 | A | 96.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 137.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | C620 P640 G641 I655 V673 K674 F675 | C620-A622 PolarHBondContact O-N 2.85Å; A622-P640 CarbonylContact O-C 3.42Å; A622-G641 PolarHBondContact N-O 3.14Å; A622-G641 CarbonylContact O-C 3.54Å; A622-G641 PolarHBondContact O-N 3.31Å; A622-G641 VanDerWaalsContact O-O 3.11Å; A622-I655 HydrophobicContact CB-CD1 3.88Å; A622-I655 HydrophobicContact CB-CG2 4.2Å; A622-V673 HydrophobicContact CB-CG2 3.76Å; A622-K674 CarbonylContact C-O 3.52Å; A622-K674 WeakPolarHBondContact CA-O 3.29Å; A622-F675 HydrophobicContact CB-CD1 3.8Å; A622-F675 HydrophobicContact CB-CE1 3.88Å |
| 623 | Y | 95.6 | Very high | 86.8 | Confident | 89 Ų | 89 | 68.5 Ų | 68.5 | 35% | 0.349 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 104.2 | 175.8 | -69 | -91 | 0 | 0 | 0 | 108.6 | L621 E639 P640 V673 K674 V676 | L621-Y623 HydrophobicContact CD2-CE2 3.79Å; L621-Y623 HydrophobicContact CG-CE2 3.96Å; Y623-E639 CarbonylContact C-O 3.45Å; Y623-E639 WeakPolarHBondContact CA-O 3.42Å; Y623-P640 HydrophobicContact CD1-CB 4.23Å; Y623-P640 HydrophobicContact CE1-CB 3.98Å; Y623-V673 WeakPolarHBondContact O-CA 3.4Å; Y623-K674 PolarHBondContact N-O 2.92Å; Y623-K674 PolarHBondContact O-N 2.81Å; Y623-V676 HydrophobicContact CD2-CG2 4.19Å; Y623-V676 HydrophobicContact CE2-CG2 3.81Å |
| 624 | A | 93 | Very high | 86.6 | Confident | 2 Ų | 2 | 71.5 Ų | 71.5 | 2% | 0.017 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 129.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | T626 A638 E639 I655 L657 I668 T670 | A624-T626 PolarHBondContact O-N 2.89Å; A624-A638 CarbonylContact O-C 3.55Å; A624-A638 WeakPolarHBondContact O-CA 3.44Å; A624-A638 WeakPolarHBondContact O-CB 3.34Å; A624-E639 PolarHBondContact N-O 2.9Å; A624-E639 PolarHBondContact O-N 2.86Å; A624-I655 HydrophobicContact CB-CG2 4.38Å; A624-L657 HydrophobicContact CB-CD2 4.25Å; A624-I668 HydrophobicContact CB-CD1 4.08Å; A624-T670 HydrophobicContact CB-CG2 4.24Å |
| 625 | Y | 91.2 | Very high | 86.1 | Confident | 100 Ų | 100 | 72.4 Ų | 72.4 | 39% | 0.392 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 123.9 | 178.3 | -178.4 | -95.9 | 0 | 0 | 0 | 111 | R637 H672 | Y625-R637 VanDerWaalsContact CD2-O 3.28Å; Y625-R637 WeakPolarHBondContact CD2-O 3.23Å; Y625-R637 HydrophobicContact CE2-CB 4.47Å; Y625-H672 WeakPolarHBondContact CB-O 3.38Å; Y625-H672 HydrophobicContact CG-CB 4.44Å; Y625-H672 PolarHBondContact N-O 2.89Å |
| 626 | T | 80.6 | Confident | 85.7 | Confident | 39 Ų | 39 | 79.6 Ų | 79.6 | 24% | 0.239 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -83.8 | 131.9 | 176.1 | -46 | 0 | 0 | 0 | 0 | 109.5 | A624 R637 | A624-T626 PolarHBondContact O-N 2.89Å; T626-R637 PolarHBondContact N-O 2.99Å; T626-R637 VanDerWaalsContact N-O 3.09Å |
| 627 | T | 76 | Confident | 85.3 | Confident | 92 Ų | 92 | 84.8 Ų | 84.8 | 56% | 0.564 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 153.1 | -179.5 | 47.5 | 0 | 0 | 0 | 0 | 112.1 | Q629 | T627-Q629 PolarHBondContact O-N 3.48Š|
| 628 | R | 66.4 | Low | 85.1 | Confident | 199 Ų | 199 | 86 Ų | 86 | 75% | 0.751 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -66.4 | -22.2 | 179.7 | -75.5 | -174.6 | 171.2 | -168.9 | -3.4 | 114 | G630 R631 | R628-G630 PolarHBondContact O-N 2.87Å; R628-R631 PolarHBondContact O-N 3.35Å |
| 629 | Q | 64.2 | Low | 84.8 | Confident | 178 Ų | 178 | 87.6 Ų | 87.6 | 83% | 0.832 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 122.9 | -178.1 | -73.1 | 177.7 | -27.6 | 0 | 0 | 110.3 | T627 R631 | T627-Q629 PolarHBondContact O-N 3.48Å; Q629-R631 VanDerWaalsContact C-N 3.31Å; Q629-R631 PolarHBondContact O-N 3.45Å |
| 630 | G | 65 | Low | 84.6 | Confident | 85 Ų | 85 | 89.6 Ų | 89.6 | 88% | 0.876 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | -7.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | R628 | R628-G630 PolarHBondContact O-N 2.87Š|
| 631 | R | 75.4 | Confident | 84.6 | Confident | 57 Ų | 57 | 89.6 Ų | 89.6 | 22% | 0.215 | 44% | 0.437 | C | S | . | . | trans | -86.1 | 127.9 | -177.1 | -162.4 | -176.4 | 73.5 | -158.5 | 0.4 | 112.2 | R628 Q629 D635 E636 | R628-R631 PolarHBondContact O-N 3.35Å; Q629-R631 VanDerWaalsContact C-N 3.31Å; Q629-R631 PolarHBondContact O-N 3.45Å; R631-D635 HydrophobicContact CG-CB 3.57Å; R631-E636 WeakPolarHBondContact CD-O 3.31Å | ||
| 632 | K | 81.4 | Confident | 84.6 | Confident | 162 Ų | 162 | 89.6 Ų | 89.6 | 70% | 0.704 | 44% | 0.436 | S | S | * | . | trans | -78.4 | 168 | 169.7 | -59.3 | 177 | -178.9 | 175.1 | 0 | 111.1 | L634 D635 | K632-L634 VanDerWaalsContact C-N 3.28Å; K632-L634 PolarHBondContact O-N 2.89Å; K632-D635 WeakPolarHBondContact CB-OD2 3.44Å; K632-D635 PolarHBondContact N-OD2 2.8Å; K632-D635 PolarHBondContact O-N 3.3Å | ||
| 633 | K | 81.2 | Confident | 84.6 | Confident | 203 Ų | 203 | 89.6 Ų | 89.6 | 88% | 0.883 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -30.5 | -170.9 | -165.4 | 174.9 | -178.5 | -178.6 | 0 | 114 | ||
| 634 | L | 85.2 | Confident | 84.7 | Confident | 169 Ų | 169 | 85.4 Ų | 85.4 | 89% | 0.885 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -6.3 | -176.9 | -64.3 | 180 | 0 | 0 | 0 | 114.4 | K632 | K632-L634 VanDerWaalsContact C-N 3.28Å; K632-L634 PolarHBondContact O-N 2.89Å |
| 635 | D | 84.2 | Confident | 84.8 | Confident | 73 Ų | 73 | 85.4 Ų | 85.4 | 39% | 0.39 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -67.2 | 153.3 | -179.2 | -57.8 | -11.2 | 0 | 0 | 0 | 111 | R631 K632 | R631-D635 HydrophobicContact CG-CB 3.57Å; K632-D635 WeakPolarHBondContact CB-OD2 3.44Å; K632-D635 PolarHBondContact N-OD2 2.8Å; K632-D635 PolarHBondContact O-N 3.3Å |
| 636 | E | 86.1 | Confident | 85.1 | Confident | 151 Ų | 151 | 81 Ų | 81 | 71% | 0.706 | 40% | 0.403 | S | S | * | . | trans | -55.9 | 139.5 | 178.2 | -62.6 | -178.9 | 173.6 | 0 | 0 | 111.8 | R631 | R631-E636 WeakPolarHBondContact CD-O 3.31Š| ||
| 637 | R | 88.4 | Confident | 85.6 | Confident | 169 Ų | 169 | 80 Ų | 80 | 64% | 0.638 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -90.3 | -12.1 | -176.6 | -62.4 | -171.8 | 176.5 | -178.7 | 1 | 113.6 | Y625 T626 | Y625-R637 VanDerWaalsContact CD2-O 3.28Å; Y625-R637 WeakPolarHBondContact CD2-O 3.23Å; Y625-R637 HydrophobicContact CE2-CB 4.47Å; T626-R637 PolarHBondContact N-O 2.99Å; T626-R637 VanDerWaalsContact N-O 3.09Å |
| 638 | A | 91.2 | Very high | 86.3 | Confident | 32 Ų | 32 | 80.8 Ų | 80.8 | 26% | 0.264 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 140.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | A624 | A624-A638 CarbonylContact O-C 3.55Å; A624-A638 WeakPolarHBondContact O-CA 3.44Å; A624-A638 WeakPolarHBondContact O-CB 3.34Å |
| 639 | E | 90.4 | Very high | 87.3 | Confident | 38 Ų | 38 | 81.6 Ų | 81.6 | 18% | 0.178 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 138 | 177.4 | -171.3 | -177 | 165.6 | 0 | 0 | 109.2 | Y623 A624 L657 R660 | Y623-E639 CarbonylContact C-O 3.45Å; Y623-E639 WeakPolarHBondContact CA-O 3.42Å; A624-E639 PolarHBondContact N-O 2.9Å; A624-E639 PolarHBondContact O-N 2.86Å; E639-L657 HydrophobicContact CB-CD2 4.28Å; E639-L657 HydrophobicContact CG-CD2 4.12Å; E639-R660 WeakPolarHBondContact OE1-CG 3.3Å; E639-R660 IonicContact OE1-NE 2.72Å; E639-R660 IonicContact OE2-CZ 3.59Å; E639-R660 VanDerWaalsContact OE2-CZ 3.29Å; E639-R660 IonicContact OE2-NE 2.77Å; E639-R660 PolarHBondContact OE2-NE 2.94Å; E639-R660 IonicContact OE2-NH2 2.75Å; E639-R660 PolarHBondContact OE2-NH2 2.88Å |
| 640 | P | 92.8 | Very high | 88.4 | Confident | 43 Ų | 43 | 76.4 Ų | 76.4 | 28% | 0.279 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 142.7 | 174.9 | 30.6 | -34.5 | 0 | 0 | 0 | 111.7 | A622 Y623 L685 | A622-P640 CarbonylContact O-C 3.42Å; Y623-P640 HydrophobicContact CD1-CB 4.23Å; Y623-P640 HydrophobicContact CE1-CB 3.98Å; P640-L685 HydrophobicContact CB-CD2 3.77Å; P640-L685 HydrophobicContact CG-CD2 4.19Å |
| 641 | G | 94.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | -173.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A622 W656 | A622-G641 PolarHBondContact N-O 3.14Å; A622-G641 CarbonylContact O-C 3.54Å; A622-G641 PolarHBondContact O-N 3.31Å; A622-G641 VanDerWaalsContact O-O 3.11Å; G641-W656 CarbonylContact C-O 3.51Å; G641-W656 WeakPolarHBondContact CA-O 3.37Å |
| 642 | I | 96.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.6 | -174.3 | -49.6 | -173.2 | 0 | 0 | 0 | 109.7 | L573 V644 I655 W656 F682 L685 | L573-I642 HydrophobicContact CD1-CG2 4.11Å; L573-I642 HydrophobicContact CD2-CD1 3.95Å; L573-I642 HydrophobicContact CD2-CG2 4.29Å; L573-I642 HydrophobicContact CG-CG2 4.49Å; I642-V644 HydrophobicContact CG2-CG1 4.47Å; I642-V644 PolarHBondContact O-N 2.86Å; I642-I655 CarbonylContact O-C 3.58Å; I642-I655 WeakPolarHBondContact O-CA 3.16Å; I642-W656 HydrophobicContact CB-CE3 4.32Å; I642-W656 HydrophobicContact CD1-CE3 3.73Å; I642-W656 HydrophobicContact CD1-CZ3 3.75Å; I642-W656 HydrophobicContact CG1-CE3 4.11Å; I642-W656 PolarHBondContact N-O 3.37Å; I642-W656 PolarHBondContact O-N 2.91Å; I642-F682 HydrophobicContact CD1-CB 3.93Å; I642-F682 HydrophobicContact CD1-CD2 4.22Å; I642-L685 HydrophobicContact CD1-CD1 4.48Å; I642-L685 HydrophobicContact CG1-CD1 4Å |
| 643 | M | 97.4 | Very high | 91 | Very high | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 109.8 | 175 | 174.4 | 56.1 | -172.6 | 0 | 0 | 110.8 | G619 C620 G645 Y646 Y653 I655 F675 | G619-M643 WeakPolarHBondContact CA-O 3.26Å; G619-M643 PolarHBondContact N-O 2.81Å; C620-M643 PolarHBondContact O-N 3.09Å; M643-G645 VanDerWaalsContact CE-C 3.47Å; M643-G645 WeakPolarHBondContact CE-O 3.38Å; M643-Y646 HydrophobicContact CE-CD1 4.17Å; M643-Y646 HydrophobicContact CE-CE1 3.9Å; M643-Y646 HydrophobicContact CE-CE2 4.34Å; M643-Y653 HydrophobicContact CE-CD1 3.61Å; M643-Y653 HydrophobicContact CE-CE1 4.37Å; M643-Y653 HydrophobicContact SD-CD1 3.79Å; M643-Y653 HydrophobicContact SD-CG 4.24Å; M643-I655 HydrophobicContact CB-CD1 4.37Å; M643-I655 HydrophobicContact SD-CD1 3.91Å; M643-F675 HydrophobicContact CB-CD1 4.36Å; M643-F675 HydrophobicContact CB-CE1 3.95Å; M643-F675 HydrophobicContact CG-CE1 3.98Å; M643-F675 HydrophobicContact SD-CE1 3.89Å; M643-F675 HydrophobicContact SD-CZ 4.24Å |
| 644 | V | 97.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | -1.4 | -178.2 | -62.7 | 0 | 0 | 0 | 0 | 113.3 | L573 F577 E580 Y618 I642 R654 W656 V667 | L573-V644 HydrophobicContact CD1-CG1 4.13Å; F577-V644 HydrophobicContact CD1-CG1 4.07Å; F577-V644 HydrophobicContact CE1-CG1 4.28Å; E580-V644 HydrophobicContact CB-CB 4.05Å; E580-V644 HydrophobicContact CB-CG2 4.49Å; E580-V644 HydrophobicContact CG-CB 4.37Å; E580-V644 HydrophobicContact CG-CG2 4.37Å; Y618-V644 WeakPolarHBondContact CE2-O 3.34Å; I642-V644 HydrophobicContact CG2-CG1 4.47Å; I642-V644 PolarHBondContact O-N 2.86Å; V644-R654 HydrophobicContact CG2-CB 3.99Å; V644-R654 WeakPolarHBondContact CG2-O 3.5Å; V644-R654 PolarHBondContact N-O 2.87Å; V644-W656 HydrophobicContact CG1-CB 3.82Å; V644-W656 HydrophobicContact CG2-CB 4.18Å; V644-V667 HydrophobicContact CG2-CG1 3.92Å; V644-V667 HydrophobicContact CG2-CG2 4.45Å |
| 645 | G | 96.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.6 | -166.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | M643 Y653 R654 | M643-G645 VanDerWaalsContact CE-C 3.47Å; M643-G645 WeakPolarHBondContact CE-O 3.38Å; G645-Y653 CarbonylContact O-C 3.56Å; G645-Y653 WeakPolarHBondContact O-CA 3.49Å; G645-R654 PolarHBondContact N-O 3.14Å; G645-R654 PolarHBondContact O-N 3.35Å |
| 646 | Y | 96.9 | Very high | 92.9 | Very high | 9 Ų | 9 | 51 Ų | 51 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 147.8 | -179.2 | -57 | -84.2 | 0 | 0 | 0 | 109.4 | Y587 V588 L615 R616 M643 I648 Y653 R654 | Y587-Y646 HydrophobicContact CD1-CD1 4.21Å; Y587-Y646 AromaticContact CD1-CD2 3.18Å; Y587-Y646 HydrophobicContact CD1-CD2 3.18Å; Y587-Y646 AromaticContact CD1-CE2 3.6Å; Y587-Y646 HydrophobicContact CD1-CE2 3.6Å; Y587-Y646 AromaticContact CD1-CG 3.54Å; Y587-Y646 HydrophobicContact CD1-CG 3.54Å; Y587-Y646 HydrophobicContact CD2-CD2 4.29Å; Y587-Y646 HydrophobicContact CD2-CG 4.25Å; Y587-Y646 AromaticContact CE1-CD1 3.74Å; Y587-Y646 HydrophobicContact CE1-CD1 3.74Å; Y587-Y646 AromaticContact CE1-CD2 3.62Å; Y587-Y646 HydrophobicContact CE1-CD2 3.62Å; Y587-Y646 HydrophobicContact CE1-CE1 4.13Å; Y587-Y646 HydrophobicContact CE1-CE2 4.03Å; Y587-Y646 AromaticContact CE1-CG 3.46Å; Y587-Y646 HydrophobicContact CE1-CG 3.46Å; Y587-Y646 VanDerWaalsContact CE1-CG 3.46Å; Y587-Y646 HydrophobicContact CE2-CG 4.17Å; Y587-Y646 AromaticContact CG-CD2 3.58Å; Y587-Y646 HydrophobicContact CG-CD2 3.58Å; Y587-Y646 HydrophobicContact CG-CE2 4.34Å; Y587-Y646 AromaticContact CG-CG 3.95Å; Y587-Y646 HydrophobicContact CG-CG 3.95Å; Y587-Y646 AromaticContact CZ-CG 3.78Å; V588-Y646 HydrophobicContact CG2-CE2 3.98Å; L615-Y646 WeakPolarHBondContact CA-OH 3.46Å; L615-Y646 HydrophobicContact CD2-CE1 3.75Å; L615-Y646 HydrophobicContact CD2-CE2 4.21Å; L615-Y646 WeakPolarHBondContact CD2-OH 3.25Å; R616-Y646 PolarHBondContact N-OH 3.14Å; R616-Y646 PolarHBondContact O-OH 3.45Å; M643-Y646 HydrophobicContact CE-CD1 4.17Å; M643-Y646 HydrophobicContact CE-CE1 3.9Å; M643-Y646 HydrophobicContact CE-CE2 4.34Å; Y646-I648 PolarHBondContact O-N 3.16Å; Y646-Y653 HydrophobicContact CD1-CD1 4.1Å; Y646-Y653 HydrophobicContact CD1-CE1 4.26Å; Y646-Y653 HydrophobicContact CE1-CD1 4.21Å; Y646-Y653 HydrophobicContact CE1-CE1 4.07Å; Y646-R654 WeakPolarHBondContact O-CD 3.36Å; Y646-R654 WeakPolarHBondContact O-CG 3.46Å |
| 647 | G | 91.2 | Very high | 93.2 | Very high | 18 Ų | 18 | 43.8 Ų | 43.8 | 19% | 0.186 | 22% | 0.22 | C | C | . | . | trans | -56.1 | 131.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T650 G652 | G647-T650 CarbonylContact C-O 3.5Å; G647-T650 WeakPolarHBondContact CA-O 3.28Å; G647-G652 PolarHBondContact N-O 3.31Å | ||
| 648 | I | 89.7 | Confident | 93.1 | Very high | 108 Ų | 108 | 36.4 Ų | 36.4 | 55% | 0.554 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -91 | -42.2 | 178.9 | -60.9 | 168.2 | 0 | 0 | 0 | 109.4 | T583 Y646 E669 | T583-I648 HydrophobicContact CG2-CD1 4.21Å; T583-I648 HydrophobicContact CG2-CG1 4.42Å; Y646-I648 PolarHBondContact O-N 3.16Å; I648-E669 WeakPolarHBondContact CB-OE1 3.32Å; I648-E669 PolarHBondContact N-OE1 2.92Å; I648-E669 PolarHBondContact N-OE2 3.45Å |
| 649 | R | 87.4 | Confident | 92.6 | Very high | 215 Ų | 215 | 38 Ų | 38 | 81% | 0.811 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -101.1 | -27.3 | -177.4 | -62.8 | 177 | -68.6 | -174.4 | -0.3 | 112.2 | E669 | R649-E669 PolarHBondContact N-OE2 2.99Š|
| 650 | T | 87.2 | Confident | 92.3 | Very high | 69 Ų | 69 | 39.5 Ų | 39.5 | 42% | 0.423 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -121.6 | 158.6 | -175.7 | 65.1 | 0 | 0 | 0 | 0 | 111.9 | G647 G652 E669 | G647-T650 CarbonylContact C-O 3.5Å; G647-T650 WeakPolarHBondContact CA-O 3.28Å; T650-G652 PolarHBondContact O-N 2.75Å; T650-E669 PolarHBondContact N-OE2 3.04Å; T650-E669 WeakPolarHBondContact OG1-CB 3.38Å; T650-E669 PolarHBondContact OG1-OE2 3.25Å |
| 651 | V | 87.3 | Confident | 91.6 | Very high | 129 Ų | 129 | 42.3 Ų | 42.3 | 78% | 0.782 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -76.9 | 106.2 | 171.6 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | K671 | V651-K671 WeakPolarHBondContact O-CB 3.4Š|
| 652 | G | 93.2 | Very high | 90.6 | Very high | 17 Ų | 17 | 50.4 Ų | 50.4 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 163.6 | -147.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G647 T650 | G647-G652 PolarHBondContact N-O 3.31Å; T650-G652 PolarHBondContact O-N 2.75Å |
| 653 | Y | 97.4 | Very high | 89.6 | Confident | 27 Ų | 27 | 52.7 Ų | 52.7 | 11% | 0.106 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 149.5 | -175.3 | -56.7 | -89.8 | 0 | 0 | 0 | 110.3 | H614 R616 M643 G645 Y646 E669 T670 V673 F675 | H614-Y653 WeakPolarHBondContact O-CE1 3.46Å; H614-Y653 PolarHBondContact O-OH 3.48Å; R616-Y653 HydrophobicContact CG-CE1 3.96Å; M643-Y653 HydrophobicContact CE-CD1 3.61Å; M643-Y653 HydrophobicContact CE-CE1 4.37Å; M643-Y653 HydrophobicContact SD-CD1 3.79Å; M643-Y653 HydrophobicContact SD-CG 4.24Å; G645-Y653 CarbonylContact O-C 3.56Å; G645-Y653 WeakPolarHBondContact O-CA 3.49Å; Y646-Y653 HydrophobicContact CD1-CD1 4.1Å; Y646-Y653 HydrophobicContact CD1-CE1 4.26Å; Y646-Y653 HydrophobicContact CE1-CD1 4.21Å; Y646-Y653 HydrophobicContact CE1-CE1 4.07Å; Y653-E669 CarbonylContact O-C 3.56Å; Y653-E669 VanDerWaalsContact O-CA 3.31Å; Y653-E669 WeakPolarHBondContact O-CA 3.37Å; Y653-T670 PolarHBondContact N-O 3.23Å; Y653-T670 PolarHBondContact O-N 3.34Å; Y653-V673 HydrophobicContact CD2-CG1 3.33Å; Y653-V673 HydrophobicContact CE2-CG1 3.9Å; Y653-V673 HydrophobicContact CG-CG1 4.01Å; Y653-F675 HydrophobicContact CD1-CE2 4.21Å; Y653-F675 AromaticContact CD1-CZ 3.59Å; Y653-F675 HydrophobicContact CD1-CZ 3.59Å; Y653-F675 AromaticContact CD2-CE2 3.99Å; Y653-F675 HydrophobicContact CD2-CE2 3.99Å; Y653-F675 AromaticContact CD2-CZ 3.73Å; Y653-F675 HydrophobicContact CD2-CZ 3.73Å; Y653-F675 AromaticContact CE1-CE2 3.93Å; Y653-F675 HydrophobicContact CE1-CE2 3.93Å; Y653-F675 AromaticContact CE1-CZ 3.76Å; Y653-F675 HydrophobicContact CE1-CZ 3.76Å; Y653-F675 AromaticContact CE2-CE2 3.7Å; Y653-F675 HydrophobicContact CE2-CE2 3.7Å; Y653-F675 AromaticContact CE2-CZ 3.91Å; Y653-F675 HydrophobicContact CE2-CZ 3.91Å; Y653-F675 HydrophobicContact CG-CE2 4.23Å; Y653-F675 AromaticContact CG-CZ 3.56Å; Y653-F675 HydrophobicContact CG-CZ 3.56Å; Y653-F675 AromaticContact CZ-CE2 3.65Å; Y653-F675 AromaticContact CZ-CZ 3.91Å |
| 654 | R | 97.1 | Very high | 88.6 | Confident | 30 Ų | 30 | 57.8 Ų | 57.8 | 11% | 0.113 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 115.7 | 169.1 | -69.8 | 173.9 | 69.9 | 80 | 0.2 | 108.3 | E580 V644 G645 Y646 V667 I668 E669 | E580-R654 VanDerWaalsContact CD-NH2 3.35Å; E580-R654 IonicContact OE1-CZ 3.76Å; E580-R654 IonicContact OE1-NE 2.88Å; E580-R654 IonicContact OE1-NH2 2.56Å; E580-R654 PolarHBondContact OE1-NH2 3.31Å; E580-R654 IonicContact OE2-CZ 3.25Å; E580-R654 IonicContact OE2-NE 3.9Å; E580-R654 PolarHBondContact OE2-NE 3.45Å; E580-R654 IonicContact OE2-NH2 2.76Å; E580-R654 PolarHBondContact OE2-NH2 3.45Å; E580-R654 VanDerWaalsContact OE2-NH2 3.16Å; V644-R654 HydrophobicContact CG2-CB 3.99Å; V644-R654 WeakPolarHBondContact CG2-O 3.5Å; V644-R654 PolarHBondContact N-O 2.87Å; G645-R654 PolarHBondContact N-O 3.14Å; G645-R654 PolarHBondContact O-N 3.35Å; Y646-R654 WeakPolarHBondContact O-CD 3.36Å; Y646-R654 WeakPolarHBondContact O-CG 3.46Å; R654-V667 HydrophobicContact CB-CG1 4.11Å; R654-I668 CarbonylContact C-O 3.51Å; R654-I668 VanDerWaalsContact CA-O 3.27Å; R654-I668 WeakPolarHBondContact CA-O 3.3Å; R654-E669 HydrophobicContact CG-CG 4.03Å; R654-E669 IonicContact NH1-OE1 3.45Å; R654-E669 PolarHBondContact NH1-OE1 3.44Å |
| 655 | I | 96.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 124.2 | -178 | -51.1 | -57.8 | 0 | 0 | 0 | 107.9 | A622 A624 I642 M643 L657 V667 I668 T670 V673 F675 | A622-I655 HydrophobicContact CB-CD1 3.88Å; A622-I655 HydrophobicContact CB-CG2 4.2Å; A624-I655 HydrophobicContact CB-CG2 4.38Å; I642-I655 CarbonylContact O-C 3.58Å; I642-I655 WeakPolarHBondContact O-CA 3.16Å; M643-I655 HydrophobicContact CB-CD1 4.37Å; M643-I655 HydrophobicContact SD-CD1 3.91Å; I655-L657 HydrophobicContact CG2-CD2 4.09Å; I655-L657 HydrophobicContact CG2-CG 4.49Å; I655-V667 WeakPolarHBondContact O-CA 3.49Å; I655-I668 HydrophobicContact CB-CG1 4.23Å; I655-I668 PolarHBondContact N-O 2.85Å; I655-I668 WeakPolarHBondContact O-CG1 3.46Å; I655-I668 PolarHBondContact O-N 2.81Å; I655-T670 HydrophobicContact CG1-CG2 4.18Å; I655-V673 HydrophobicContact CD1-CG2 3.97Å; I655-V673 HydrophobicContact CG1-CG2 4.2Å; I655-F675 HydrophobicContact CD1-CE1 4.02Å; I655-F675 HydrophobicContact CD1-CZ 4.39Å |
| 656 | W | 95.6 | Very high | 87.8 | Confident | 12 Ų | 12 | 61.9 Ų | 61.9 | 5% | 0.045 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 123.8 | 171.1 | -179 | 59.4 | 0 | 0 | 0 | 109.5 | H465 L573 F577 G641 I642 V644 P658 E666 V667 Y686 | H465-W656 AromaticContact CE1-NE1 3.76Å; H465-W656 AromaticContact NE2-NE1 3.73Å; L573-W656 HydrophobicContact CD2-CE3 4.38Å; L573-W656 HydrophobicContact CD2-CZ3 4.32Å; F577-W656 HydrophobicContact CE1-CB 4.26Å; F577-W656 AromaticContact CE1-CD2 3.8Å; F577-W656 HydrophobicContact CE1-CD2 3.8Å; F577-W656 HydrophobicContact CE1-CE3 4.22Å; F577-W656 AromaticContact CE1-CG 3.8Å; F577-W656 HydrophobicContact CE1-CG 3.8Å; F577-W656 HydrophobicContact CE2-CH2 4.39Å; F577-W656 HydrophobicContact CE2-CZ2 4.48Å; F577-W656 HydrophobicContact CE2-CZ3 4.41Å; F577-W656 AromaticContact CZ-CD2 3.49Å; F577-W656 HydrophobicContact CZ-CD2 3.49Å; F577-W656 VanDerWaalsContact CZ-CD2 3.49Å; F577-W656 AromaticContact CZ-CE2 3.52Å; F577-W656 AromaticContact CZ-CE3 3.75Å; F577-W656 HydrophobicContact CZ-CE3 3.75Å; F577-W656 AromaticContact CZ-CG 3.99Å; F577-W656 HydrophobicContact CZ-CG 3.99Å; F577-W656 HydrophobicContact CZ-CH2 4.02Å; F577-W656 AromaticContact CZ-CZ2 3.81Å; F577-W656 HydrophobicContact CZ-CZ2 3.81Å; F577-W656 HydrophobicContact CZ-CZ3 4Å; F577-W656 AromaticContact CZ-NE1 3.95Å; G641-W656 CarbonylContact C-O 3.51Å; G641-W656 WeakPolarHBondContact CA-O 3.37Å; I642-W656 HydrophobicContact CB-CE3 4.32Å; I642-W656 HydrophobicContact CD1-CE3 3.73Å; I642-W656 HydrophobicContact CD1-CZ3 3.75Å; I642-W656 HydrophobicContact CG1-CE3 4.11Å; I642-W656 PolarHBondContact N-O 3.37Å; I642-W656 PolarHBondContact O-N 2.91Å; V644-W656 HydrophobicContact CG1-CB 3.82Å; V644-W656 HydrophobicContact CG2-CB 4.18Å; W656-P658 HydrophobicContact CE3-CB 4.44Å; W656-P658 HydrophobicContact CH2-CB 3.85Å; W656-P658 HydrophobicContact CZ2-CB 4.04Å; W656-P658 HydrophobicContact CZ3-CB 4.06Å; W656-P658 WeakPolarHBondContact O-CD 3.25Å; W656-E666 CarbonylContact C-O 3.52Å; W656-E666 WeakPolarHBondContact CA-O 3.37Å; W656-V667 HydrophobicContact CB-CG2 4.13Å; W656-V667 HydrophobicContact CG-CG2 4.26Å; W656-Y686 AromaticContact CH2-CE2 3.93Å; W656-Y686 HydrophobicContact CH2-CE2 3.93Å; W656-Y686 AromaticContact CH2-CZ 3.99Å; W656-Y686 VanDerWaalsContact CH2-OH 3.28Å; W656-Y686 WeakPolarHBondContact CH2-OH 3.28Å; W656-Y686 AromaticContact CZ3-CE2 3.97Å; W656-Y686 HydrophobicContact CZ3-CE2 3.97Å |
| 657 | L | 92.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 98.9 | -179.3 | -64.6 | 174.6 | 0 | 0 | 0 | 108.2 | A624 E639 I655 G659 R660 G665 E666 I668 | A624-L657 HydrophobicContact CB-CD2 4.25Å; E639-L657 HydrophobicContact CB-CD2 4.28Å; E639-L657 HydrophobicContact CG-CD2 4.12Å; I655-L657 HydrophobicContact CG2-CD2 4.09Å; I655-L657 HydrophobicContact CG2-CG 4.49Å; L657-G659 VanDerWaalsContact C-N 3.26Å; L657-G659 PolarHBondContact O-N 2.96Å; L657-R660 HydrophobicContact CB-CG 4.02Å; L657-R660 VanDerWaalsContact CD1-NE 3.28Å; L657-R660 PolarHBondContact O-N 3.31Å; L657-G665 CarbonylContact O-C 3.54Å; L657-G665 WeakPolarHBondContact O-CA 3.27Å; L657-E666 PolarHBondContact N-O 3.13Å; L657-E666 PolarHBondContact O-N 2.91Å; L657-I668 HydrophobicContact CD1-CD1 3.55Å; L657-I668 HydrophobicContact CD1-CG1 3.82Å; L657-I668 HydrophobicContact CD1-CG2 4.22Å; L657-I668 HydrophobicContact CG-CD1 4.41Å; L657-I668 HydrophobicContact CG-CG1 4.32Å |
| 658 | P | 87.2 | Confident | 87.7 | Confident | 15 Ų | 15 | 63.5 Ų | 63.5 | 10% | 0.097 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -24.8 | -172.4 | 24.4 | -33 | 0 | 0 | 0 | 113.9 | W656 R660 L685 Y686 | W656-P658 HydrophobicContact CE3-CB 4.44Å; W656-P658 HydrophobicContact CH2-CB 3.85Å; W656-P658 HydrophobicContact CZ2-CB 4.04Å; W656-P658 HydrophobicContact CZ3-CB 4.06Å; W656-P658 WeakPolarHBondContact O-CD 3.25Å; P658-R660 PolarHBondContact O-N 2.9Å; P658-L685 HydrophobicContact CG-CD1 3.87Å; P658-Y686 HydrophobicContact CB-CE2 3.97Å; P658-Y686 WeakPolarHBondContact CB-OH 3.26Å; P658-Y686 HydrophobicContact CG-CE2 4.37Å |
| 659 | G | 81.1 | Confident | 87.9 | Confident | 65 Ų | 65 | 60 Ų | 60 | 67% | 0.67 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -5.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L657 | L657-G659 VanDerWaalsContact C-N 3.26Å; L657-G659 PolarHBondContact O-N 2.96Å |
| 660 | R | 84.1 | Confident | 88.2 | Confident | 70 Ų | 70 | 50.7 Ų | 50.7 | 26% | 0.264 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -94.3 | 168.1 | -177.8 | -62.8 | -166.1 | 179 | -166.6 | 1 | 112.6 | E639 L657 P658 N662 G663 G665 E666 | E639-R660 WeakPolarHBondContact OE1-CG 3.3Å; E639-R660 IonicContact OE1-NE 2.72Å; E639-R660 IonicContact OE2-CZ 3.59Å; E639-R660 VanDerWaalsContact OE2-CZ 3.29Å; E639-R660 IonicContact OE2-NE 2.77Å; E639-R660 PolarHBondContact OE2-NE 2.94Å; E639-R660 IonicContact OE2-NH2 2.75Å; E639-R660 PolarHBondContact OE2-NH2 2.88Å; L657-R660 HydrophobicContact CB-CG 4.02Å; L657-R660 VanDerWaalsContact CD1-NE 3.28Å; L657-R660 PolarHBondContact O-N 3.31Å; P658-R660 PolarHBondContact O-N 2.9Å; R660-N662 PolarHBondContact O-N 3.46Å; R660-G663 PolarHBondContact O-N 3.42Å; R660-G663 VanDerWaalsContact O-N 3.16Å; R660-G665 WeakPolarHBondContact O-CA 3.39Å; R660-G665 PolarHBondContact O-N 3.45Å; R660-E666 HydrophobicContact CB-CB 3.79Å; R660-E666 WeakPolarHBondContact CD-OE2 3.28Å; R660-E666 IonicContact CZ-OE2 3.2Å; R660-E666 IonicContact NE-OE2 2.76Å; R660-E666 IonicContact NH1-OE2 2.73Å; R660-E666 PolarHBondContact NH1-OE2 2.9Å; R660-E666 VanDerWaalsContact NH1-OE2 3.1Å |
| 661 | D | 77 | Confident | 88.5 | Confident | 102 Ų | 102 | 54.3 Ų | 54.3 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | 52.3 | 55.5 | 175.7 | -164.1 | 29.1 | 0 | 0 | 0 | 112.9 | G663 I664 | D661-G663 PolarHBondContact O-N 3.03Å; D661-I664 HydrophobicContact CB-CB 4.47Å; D661-I664 WeakPolarHBondContact O-CB 3.32Å; D661-I664 WeakPolarHBondContact O-CG1 3.4Å; D661-I664 PolarHBondContact O-N 3.37Å |
| 662 | N | 74.7 | Confident | 88.8 | Confident | 169 Ų | 169 | 54.2 Ų | 54.2 | 90% | 0.904 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | 52.6 | 30.2 | -179.2 | -61.8 | -22.5 | 0 | 0 | 0 | 114.6 | R660 | R660-N662 PolarHBondContact O-N 3.46Š|
| 663 | G | 73.8 | Confident | 88.8 | Confident | 49 Ų | 49 | 54.5 Ų | 54.5 | 51% | 0.505 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | 90.4 | -1.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R660 D661 G665 | R660-G663 PolarHBondContact O-N 3.42Å; R660-G663 VanDerWaalsContact O-N 3.16Å; D661-G663 PolarHBondContact O-N 3.03Å; G663-G665 VanDerWaalsContact C-N 3.27Å |
| 664 | I | 76.8 | Confident | 88.7 | Confident | 108 Ų | 108 | 61.3 Ų | 61.3 | 55% | 0.554 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -30.4 | 172 | -59.7 | 171.1 | 0 | 0 | 0 | 110.2 | H465 D661 | H465-I664 PolarHBondContact CE1-O 2.58Å; D661-I664 HydrophobicContact CB-CB 4.47Å; D661-I664 WeakPolarHBondContact O-CB 3.32Å; D661-I664 WeakPolarHBondContact O-CG1 3.4Å; D661-I664 PolarHBondContact O-N 3.37Å |
| 665 | G | 86.1 | Confident | 88.7 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | trans | 83.7 | 147.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | H465 L657 R660 G663 | H465-G665 PolarHBondContact CE1-O 2.78Å; H465-G665 PolarHBondContact NE2-O 2.9Å; L657-G665 CarbonylContact O-C 3.54Å; L657-G665 WeakPolarHBondContact O-CA 3.27Å; R660-G665 WeakPolarHBondContact O-CA 3.39Å; R660-G665 PolarHBondContact O-N 3.45Å; G663-G665 VanDerWaalsContact C-N 3.27Å | ||
| 666 | E | 90.4 | Very high | 88.5 | Confident | 85 Ų | 85 | 63.9 Ų | 63.9 | 40% | 0.397 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 137.2 | -176.1 | -174.1 | -167.7 | -176.6 | 0 | 0 | 110.8 | W656 L657 R660 I668 | W656-E666 CarbonylContact C-O 3.52Å; W656-E666 WeakPolarHBondContact CA-O 3.37Å; L657-E666 PolarHBondContact N-O 3.13Å; L657-E666 PolarHBondContact O-N 2.91Å; R660-E666 HydrophobicContact CB-CB 3.79Å; R660-E666 WeakPolarHBondContact CD-OE2 3.28Å; R660-E666 IonicContact CZ-OE2 3.2Å; R660-E666 IonicContact NE-OE2 2.76Å; R660-E666 IonicContact NH1-OE2 2.73Å; R660-E666 PolarHBondContact NH1-OE2 2.9Å; R660-E666 VanDerWaalsContact NH1-OE2 3.1Å; E666-I668 HydrophobicContact CG-CG2 4.1Å |
| 667 | V | 93.5 | Very high | 88.4 | Confident | 31 Ų | 31 | 65.1 Ų | 65.1 | 19% | 0.188 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 114.7 | 170.5 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | V644 R654 I655 W656 | V644-V667 HydrophobicContact CG2-CG1 3.92Å; V644-V667 HydrophobicContact CG2-CG2 4.45Å; R654-V667 HydrophobicContact CB-CG1 4.11Å; I655-V667 WeakPolarHBondContact O-CA 3.49Å; W656-V667 HydrophobicContact CB-CG2 4.13Å; W656-V667 HydrophobicContact CG-CG2 4.26Å |
| 668 | I | 93 | Very high | 88.2 | Confident | 31 Ų | 31 | 71.7 Ų | 71.7 | 16% | 0.159 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 156 | 177.5 | 64.9 | 158.8 | 0 | 0 | 0 | 112 | A624 R654 I655 L657 E666 T670 | A624-I668 HydrophobicContact CB-CD1 4.08Å; R654-I668 CarbonylContact C-O 3.51Å; R654-I668 VanDerWaalsContact CA-O 3.27Å; R654-I668 WeakPolarHBondContact CA-O 3.3Å; I655-I668 HydrophobicContact CB-CG1 4.23Å; I655-I668 PolarHBondContact N-O 2.85Å; I655-I668 WeakPolarHBondContact O-CG1 3.46Å; I655-I668 PolarHBondContact O-N 2.81Å; L657-I668 HydrophobicContact CD1-CD1 3.55Å; L657-I668 HydrophobicContact CD1-CG1 3.82Å; L657-I668 HydrophobicContact CD1-CG2 4.22Å; L657-I668 HydrophobicContact CG-CD1 4.41Å; L657-I668 HydrophobicContact CG-CG1 4.32Å; E666-I668 HydrophobicContact CG-CG2 4.1Å; I668-T670 HydrophobicContact CD1-CG2 4.05Å |
| 669 | E | 95 | Very high | 88.2 | Confident | 33 Ų | 33 | 77.7 Ų | 77.7 | 15% | 0.154 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 123.2 | 168.8 | -51.1 | -162.1 | 158.7 | 0 | 0 | 111 | I648 R649 T650 Y653 R654 | I648-E669 WeakPolarHBondContact CB-OE1 3.32Å; I648-E669 PolarHBondContact N-OE1 2.92Å; I648-E669 PolarHBondContact N-OE2 3.45Å; R649-E669 PolarHBondContact N-OE2 2.99Å; T650-E669 PolarHBondContact N-OE2 3.04Å; T650-E669 WeakPolarHBondContact OG1-CB 3.38Å; T650-E669 PolarHBondContact OG1-OE2 3.25Å; Y653-E669 CarbonylContact O-C 3.56Å; Y653-E669 VanDerWaalsContact O-CA 3.31Å; Y653-E669 WeakPolarHBondContact O-CA 3.37Å; R654-E669 HydrophobicContact CG-CG 4.03Å; R654-E669 IonicContact NH1-OE1 3.45Å; R654-E669 PolarHBondContact NH1-OE1 3.44Å |
| 670 | T | 93.2 | Very high | 88.8 | Confident | 21 Ų | 21 | 76.4 Ų | 76.4 | 13% | 0.129 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 143.9 | -179.9 | -176.4 | 0 | 0 | 0 | 0 | 113.1 | A624 Y653 I655 I668 H672 V673 | A624-T670 HydrophobicContact CB-CG2 4.24Å; Y653-T670 PolarHBondContact N-O 3.23Å; Y653-T670 PolarHBondContact O-N 3.34Å; I655-T670 HydrophobicContact CG1-CG2 4.18Å; I668-T670 HydrophobicContact CD1-CG2 4.05Å; T670-H672 PolarHBondContact OG1-N 2.76Å; T670-V673 HydrophobicContact CG2-CB 4.43Å |
| 671 | K | 93.3 | Very high | 88.9 | Confident | 144 Ų | 144 | 73.1 Ų | 73.1 | 63% | 0.626 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -80.5 | -26.4 | 167.5 | -170.5 | 179.3 | 172.3 | -175.2 | 0 | 112.1 | V651 V673 | V651-K671 WeakPolarHBondContact O-CB 3.4Å; K671-V673 PolarHBondContact O-N 2.73Å; K671-V673 VanDerWaalsContact O-N 3.14Å |
| 672 | H | 92.6 | Very high | 89.5 | Confident | 128 Ų | 128 | 69.6 Ų | 69.6 | 59% | 0.593 | 35% | 0.348 | S | S | * | . | trans | -90.2 | 78.6 | -169.8 | -59.7 | -69.3 | 0 | 0 | 0 | 110.2 | Y625 T670 | Y625-H672 WeakPolarHBondContact CB-O 3.38Å; Y625-H672 HydrophobicContact CG-CB 4.44Å; Y625-H672 PolarHBondContact N-O 2.89Å; T670-H672 PolarHBondContact OG1-N 2.76Å | ||
| 673 | V | 94.4 | Very high | 90 | Very high | 23 Ų | 23 | 66.9 Ų | 66.9 | 14% | 0.139 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 141.3 | -177.6 | 54.6 | 0 | 0 | 0 | 0 | 110.6 | A622 Y623 Y653 I655 T670 K671 F675 | A622-V673 HydrophobicContact CB-CG2 3.76Å; Y623-V673 WeakPolarHBondContact O-CA 3.4Å; Y653-V673 HydrophobicContact CD2-CG1 3.33Å; Y653-V673 HydrophobicContact CE2-CG1 3.9Å; Y653-V673 HydrophobicContact CG-CG1 4.01Å; I655-V673 HydrophobicContact CD1-CG2 3.97Å; I655-V673 HydrophobicContact CG1-CG2 4.2Å; T670-V673 HydrophobicContact CG2-CB 4.43Å; K671-V673 PolarHBondContact O-N 2.73Å; K671-V673 VanDerWaalsContact O-N 3.14Å; V673-F675 HydrophobicContact CB-CE2 4.44Å; V673-F675 HydrophobicContact CB-CZ 4.24Å; V673-F675 HydrophobicContact CG1-CE1 4.29Å; V673-F675 HydrophobicContact CG1-CE2 3.56Å; V673-F675 HydrophobicContact CG1-CZ 3.4Å; V673-F675 VanDerWaalsContact CG1-CZ 3.4Å; V673-F675 HydrophobicContact CG2-CD1 4.32Å; V673-F675 HydrophobicContact CG2-CE1 3.85Å; V673-F675 HydrophobicContact CG2-CE2 4.18Å; V673-F675 HydrophobicContact CG2-CZ 3.78Å |
| 674 | K | 95.6 | Very high | 90.4 | Very high | 169 Ų | 169 | 67.4 Ų | 67.4 | 74% | 0.735 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 135 | 170.5 | -68.1 | -172.4 | 176.4 | -175.4 | 0 | 109.5 | A622 Y623 | A622-K674 CarbonylContact C-O 3.52Å; A622-K674 WeakPolarHBondContact CA-O 3.29Å; Y623-K674 PolarHBondContact N-O 2.92Å; Y623-K674 PolarHBondContact O-N 2.81Å |
| 675 | F | 96.2 | Very high | 90.7 | Very high | 41 Ų | 41 | 64.9 Ų | 64.9 | 18% | 0.18 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 141.8 | -175.9 | -61.1 | -81 | 0 | 0 | 0 | 111.7 | R616 A622 M643 Y653 I655 V673 E677 | R616-F675 HydrophobicContact CB-CD1 4.47Å; R616-F675 HydrophobicContact CB-CE1 4.49Å; R616-F675 HydrophobicContact CG-CD1 4.37Å; R616-F675 HydrophobicContact CG-CD2 3.72Å; R616-F675 HydrophobicContact CG-CE1 4.41Å; R616-F675 HydrophobicContact CG-CE2 3.76Å; R616-F675 HydrophobicContact CG-CG 4.03Å; R616-F675 HydrophobicContact CG-CZ 4.11Å; A622-F675 HydrophobicContact CB-CD1 3.8Å; A622-F675 HydrophobicContact CB-CE1 3.88Å; M643-F675 HydrophobicContact CB-CD1 4.36Å; M643-F675 HydrophobicContact CB-CE1 3.95Å; M643-F675 HydrophobicContact CG-CE1 3.98Å; M643-F675 HydrophobicContact SD-CE1 3.89Å; M643-F675 HydrophobicContact SD-CZ 4.24Å; Y653-F675 HydrophobicContact CD1-CE2 4.21Å; Y653-F675 AromaticContact CD1-CZ 3.59Å; Y653-F675 HydrophobicContact CD1-CZ 3.59Å; Y653-F675 AromaticContact CD2-CE2 3.99Å; Y653-F675 HydrophobicContact CD2-CE2 3.99Å; Y653-F675 AromaticContact CD2-CZ 3.73Å; Y653-F675 HydrophobicContact CD2-CZ 3.73Å; Y653-F675 AromaticContact CE1-CE2 3.93Å; Y653-F675 HydrophobicContact CE1-CE2 3.93Å; Y653-F675 AromaticContact CE1-CZ 3.76Å; Y653-F675 HydrophobicContact CE1-CZ 3.76Å; Y653-F675 AromaticContact CE2-CE2 3.7Å; Y653-F675 HydrophobicContact CE2-CE2 3.7Å; Y653-F675 AromaticContact CE2-CZ 3.91Å; Y653-F675 HydrophobicContact CE2-CZ 3.91Å; Y653-F675 HydrophobicContact CG-CE2 4.23Å; Y653-F675 AromaticContact CG-CZ 3.56Å; Y653-F675 HydrophobicContact CG-CZ 3.56Å; Y653-F675 AromaticContact CZ-CE2 3.65Å; Y653-F675 AromaticContact CZ-CZ 3.91Å; I655-F675 HydrophobicContact CD1-CE1 4.02Å; I655-F675 HydrophobicContact CD1-CZ 4.39Å; V673-F675 HydrophobicContact CB-CE2 4.44Å; V673-F675 HydrophobicContact CB-CZ 4.24Å; V673-F675 HydrophobicContact CG1-CE1 4.29Å; V673-F675 HydrophobicContact CG1-CE2 3.56Å; V673-F675 HydrophobicContact CG1-CZ 3.4Å; V673-F675 VanDerWaalsContact CG1-CZ 3.4Å; V673-F675 HydrophobicContact CG2-CD1 4.32Å; V673-F675 HydrophobicContact CG2-CE1 3.85Å; V673-F675 HydrophobicContact CG2-CE2 4.18Å; V673-F675 HydrophobicContact CG2-CZ 3.78Å; F675-E677 HydrophobicContact CB-CG 4.15Å |
| 676 | V | 93 | Very high | 90.2 | Very high | 44 Ų | 44 | 67.7 Ų | 67.7 | 27% | 0.267 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 80.4 | 169.8 | -178.9 | 0 | 0 | 0 | 0 | 106.8 | L621 Y623 N678 R679 | L621-V676 HydrophobicContact CB-CB 4.27Å; L621-V676 HydrophobicContact CD2-CB 4.31Å; L621-V676 PolarHBondContact O-N 3.33Å; Y623-V676 HydrophobicContact CD2-CG2 4.19Å; Y623-V676 HydrophobicContact CE2-CG2 3.81Å; V676-N678 VanDerWaalsContact C-N 3.27Å; V676-N678 WeakPolarHBondContact CG1-OD1 3.41Å; V676-N678 PolarHBondContact O-N 2.68Å; V676-R679 HydrophobicContact CG1-CB 4.22Å; V676-R679 HydrophobicContact CG1-CG 4.15Å; V676-R679 PolarHBondContact O-N 2.93Å; V676-R679 VanDerWaalsContact O-O 3.13Å |
| 677 | E | 91.9 | Very high | 88.4 | Confident | 37 Ų | 37 | 71 Ų | 71 | 17% | 0.173 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | -19.5 | -169.2 | -72.9 | -168.3 | -101 | 0 | 0 | 114.7 | R392 R616 T617 C620 F675 R679 | R392-E677 WeakPolarHBondContact CG-OE2 3.35Å; R392-E677 IonicContact CZ-OE1 2.75Å; R392-E677 VanDerWaalsContact CZ-OE1 3.22Å; R392-E677 IonicContact NE-OE1 2.89Å; R392-E677 PolarHBondContact NE-OE1 3.2Å; R392-E677 IonicContact NE-OE2 3.63Å; R392-E677 PolarHBondContact NE-OE2 2.99Å; R392-E677 IonicContact NH2-OE1 3.72Å; R392-E677 PolarHBondContact NH2-OE1 3.46Å; R616-E677 VanDerWaalsContact CD-CD 3.42Å; R616-E677 WeakPolarHBondContact CD-OE1 3.48Å; R616-E677 IonicContact NE-OE1 2.94Å; T617-E677 WeakPolarHBondContact CB-OE2 3.48Å; T617-E677 PolarHBondContact N-OE2 3.17Å; T617-E677 PolarHBondContact OG1-OE2 2.76Å; C620-E677 HydrophobicContact CB-CG 4.37Å; F675-E677 HydrophobicContact CB-CG 4.15Å; E677-R679 PolarHBondContact O-N 2.86Å |
| 678 | N | 88.4 | Confident | 85.9 | Confident | 138 Ų | 138 | 75.2 Ų | 75.2 | 74% | 0.738 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | -5.1 | 175.7 | 65.6 | -28.9 | 0 | 0 | 0 | 113.4 | V676 | V676-N678 VanDerWaalsContact C-N 3.27Å; V676-N678 WeakPolarHBondContact CG1-OD1 3.41Å; V676-N678 PolarHBondContact O-N 2.68Å |
| 679 | R | 89 | Confident | 83.2 | Confident | 141 Ų | 141 | 80.8 Ų | 80.8 | 53% | 0.532 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 131 | 176.7 | -64.4 | -173.7 | -178.5 | -175.9 | 0.3 | 110.6 | C620 L621 V676 E677 | C620-R679 WeakPolarHBondContact CA-O 3.42Å; L621-R679 HydrophobicContact CB-CB 4.41Å; L621-R679 PolarHBondContact N-O 2.75Å; V676-R679 HydrophobicContact CG1-CB 4.22Å; V676-R679 HydrophobicContact CG1-CG 4.15Å; V676-R679 PolarHBondContact O-N 2.93Å; V676-R679 VanDerWaalsContact O-O 3.13Å; E677-R679 PolarHBondContact O-N 2.86Å |
| 680 | M | 92 | Very high | 80.7 | Confident | 39 Ų | 39 | 84.1 Ų | 84.1 | 19% | 0.192 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 127.6 | 170.1 | -65.7 | -57.8 | 98.6 | 0 | 0 | 109 | T617 C620 F682 T684 | T617-M680 HydrophobicContact CG2-CE 3.94Å; C620-M680 HydrophobicContact CB-CE 4.17Å; M680-F682 VanDerWaalsContact C-N 3.32Å; M680-F682 PolarHBondContact O-N 2.95Å; M680-T684 WeakPolarHBondContact O-CB 3.33Å; M680-T684 PolarHBondContact O-N 3.25Å; M680-T684 PolarHBondContact O-OG1 2.79Å |
| 681 | G | 87.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 87.2 Ų | 87.2 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.6 | -39.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G619 T684 L685 | G619-G681 PolarHBondContact O-N 3.39Å; G681-T684 PolarHBondContact O-N 3.17Å; G681-T684 VanDerWaalsContact O-N 3.16Å; G681-L685 WeakPolarHBondContact O-CB 3.44Å; G681-L685 WeakPolarHBondContact O-CG 3.46Å; G681-L685 PolarHBondContact O-N 2.8Å |
| 682 | F | 88.4 | Confident | 75.4 | Confident | 29 Ų | 29 | 90 Ų | 90 | 13% | 0.127 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.1 | -53.2 | -176.3 | -169.7 | -100.9 | 0 | 0 | 0 | 111.6 | G572 L573 P574 I642 M680 T684 L685 Y686 | G572-F682 WeakPolarHBondContact O-CD1 3.48Å; G572-F682 WeakPolarHBondContact O-CE1 3.4Å; L573-F682 HydrophobicContact CD2-CB 4.3Å; L573-F682 HydrophobicContact CD2-CD2 3.89Å; L573-F682 HydrophobicContact CD2-CG 4.38Å; P574-F682 HydrophobicContact CG-CE2 3.94Å; P574-F682 HydrophobicContact CG-CZ 4.04Å; I642-F682 HydrophobicContact CD1-CB 3.93Å; I642-F682 HydrophobicContact CD1-CD2 4.22Å; M680-F682 VanDerWaalsContact C-N 3.32Å; M680-F682 PolarHBondContact O-N 2.95Å; F682-T684 PolarHBondContact O-N 3.43Å; F682-L685 PolarHBondContact O-N 3.26Å; F682-Y686 AromaticContact CD2-CD2 3.79Å; F682-Y686 HydrophobicContact CD2-CD2 3.79Å; F682-Y686 HydrophobicContact CD2-CE2 4.13Å; F682-Y686 AromaticContact CE2-CD2 3.76Å; F682-Y686 HydrophobicContact CE2-CD2 3.76Å; F682-Y686 HydrophobicContact CE2-CE2 4.03Å; F682-Y686 HydrophobicContact CE2-CG 4.28Å; F682-Y686 HydrophobicContact CG-CD2 4.46Å; F682-Y686 HydrophobicContact CZ-CD2 4.41Å; F682-Y686 WeakPolarHBondContact O-CB 3.32Å; F682-Y686 PolarHBondContact O-N 3.31Å |
| 683 | N | 84.7 | Confident | 72.4 | Confident | 111 Ų | 111 | 92 Ų | 92 | 59% | 0.594 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -66.2 | -18.9 | 178.1 | -58.7 | -7.1 | 0 | 0 | 0 | 113.6 | ||
| 684 | T | 83.7 | Confident | 69.3 | Low | 61 Ų | 61 | 94.7 Ų | 94.7 | 37% | 0.374 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -88.1 | -36.9 | 179.5 | -52.3 | 0 | 0 | 0 | 0 | 111.7 | L621 M680 G681 F682 | L621-T684 HydrophobicContact CD2-CG2 4.05Å; M680-T684 WeakPolarHBondContact O-CB 3.33Å; M680-T684 PolarHBondContact O-N 3.25Å; M680-T684 PolarHBondContact O-OG1 2.79Å; G681-T684 PolarHBondContact O-N 3.17Å; G681-T684 VanDerWaalsContact O-N 3.16Å; F682-T684 PolarHBondContact O-N 3.43Å |
| 685 | L | 82.9 | Confident | 66.1 | Low | 54 Ų | 54 | 90.9 Ų | 90.9 | 28% | 0.283 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -90.5 | -26.8 | -176.5 | -61.5 | 177.1 | 0 | 0 | 0 | 113.1 | L621 P640 I642 P658 G681 F682 | L621-L685 HydrophobicContact CD1-CD1 4.15Å; L621-L685 HydrophobicContact CD1-CD2 4.06Å; L621-L685 HydrophobicContact CD1-CG 4.06Å; P640-L685 HydrophobicContact CB-CD2 3.77Å; P640-L685 HydrophobicContact CG-CD2 4.19Å; I642-L685 HydrophobicContact CD1-CD1 4.48Å; I642-L685 HydrophobicContact CG1-CD1 4Å; P658-L685 HydrophobicContact CG-CD1 3.87Å; G681-L685 WeakPolarHBondContact O-CB 3.44Å; G681-L685 WeakPolarHBondContact O-CG 3.46Å; G681-L685 PolarHBondContact O-N 2.8Å; F682-L685 PolarHBondContact O-N 3.26Å |
| 686 | Y | 75.2 | Confident | 63.1 | Low | 62 Ų | 62 | 93.6 Ų | 93.6 | 24% | 0.243 | 49% | 0.489 | C | S | . | . | S | Bend | trans | -110.9 | 120.3 | 175.5 | -66.9 | -89.1 | 0 | 0 | 0 | 109.2 | W656 P658 F682 | W656-Y686 AromaticContact CH2-CE2 3.93Å; W656-Y686 HydrophobicContact CH2-CE2 3.93Å; W656-Y686 AromaticContact CH2-CZ 3.99Å; W656-Y686 VanDerWaalsContact CH2-OH 3.28Å; W656-Y686 WeakPolarHBondContact CH2-OH 3.28Å; W656-Y686 AromaticContact CZ3-CE2 3.97Å; W656-Y686 HydrophobicContact CZ3-CE2 3.97Å; P658-Y686 HydrophobicContact CB-CE2 3.97Å; P658-Y686 WeakPolarHBondContact CB-OH 3.26Å; P658-Y686 HydrophobicContact CG-CE2 4.37Å; F682-Y686 AromaticContact CD2-CD2 3.79Å; F682-Y686 HydrophobicContact CD2-CD2 3.79Å; F682-Y686 HydrophobicContact CD2-CE2 4.13Å; F682-Y686 AromaticContact CE2-CD2 3.76Å; F682-Y686 HydrophobicContact CE2-CD2 3.76Å; F682-Y686 HydrophobicContact CE2-CE2 4.03Å; F682-Y686 HydrophobicContact CE2-CG 4.28Å; F682-Y686 HydrophobicContact CG-CD2 4.46Å; F682-Y686 HydrophobicContact CZ-CD2 4.41Å; F682-Y686 WeakPolarHBondContact O-CB 3.32Å; F682-Y686 PolarHBondContact O-N 3.31Å |
| 687 | K | 52.5 | Low | 60.2 | Low | 155 Ų | 155 | 96.4 Ų | 96.4 | 67% | 0.674 | 51% | 0.51 | S | S | * | . | trans | -74.1 | 148.3 | 167.1 | -70.6 | -178.1 | -179.8 | 177.5 | 0 | 108.2 | E689 D690 | K687-E689 PolarHBondContact O-N 3.11Å; K687-D690 PolarHBondContact O-N 3.14Å | ||
| 688 | V | 41.6 | Very low | 57.1 | Low | 119 Ų | 119 | 104 Ų | 104 | 72% | 0.721 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -17.9 | -177.5 | 177.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 689 | E | 36.7 | Very low | 54.5 | Low | 148 Ų | 148 | 106.5 Ų | 106.5 | 69% | 0.692 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -27.4 | -179.4 | -66.8 | 166 | -171.7 | 0 | 0 | 113.8 | K687 V691 | K687-E689 PolarHBondContact O-N 3.11Å; E689-V691 PolarHBondContact O-N 3.33Å |
| 690 | D | 41.2 | Very low | 51.6 | Low | 102 Ų | 102 | 106.1 Ų | 106.1 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -78.4 | -22 | -173.2 | -62.8 | -41.6 | 0 | 0 | 0 | 113.2 | K687 R692 | K687-D690 PolarHBondContact O-N 3.14Å; D690-R692 PolarHBondContact O-N 2.75Å |
| 691 | V | 41.8 | Very low | 48.5 | Very low | 86 Ų | 86 | 110.6 Ų | 110.6 | 52% | 0.521 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -80 | -16.4 | -175.9 | -173.1 | 0 | 0 | 0 | 0 | 112.6 | E689 H693 | E689-V691 PolarHBondContact O-N 3.33Å; V691-H693 VanDerWaalsContact C-N 3.34Å; V691-H693 PolarHBondContact O-N 3.11Å |
| 692 | R | 33.5 | Very low | 45.7 | Very low | 204 Ų | 204 | 117.8 Ų | 117.8 | 77% | 0.77 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -78.7 | -13.5 | -177.6 | -65.2 | -171.2 | -170.7 | -174.9 | 3.1 | 114.4 | D690 | D690-R692 PolarHBondContact O-N 2.75Š|
| 693 | H | 29.6 | Very low | 42.8 | Very low | 168 Ų | 168 | 122.9 Ų | 122.9 | 78% | 0.778 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -104.1 | -0.5 | -172.6 | -65.1 | 96.8 | 0 | 0 | 0 | 114.7 | V691 A695 | V691-H693 VanDerWaalsContact C-N 3.34Å; V691-H693 PolarHBondContact O-N 3.11Å; H693-A695 PolarHBondContact O-N 3.05Å |
| 694 | A | 28.5 | Very low | 40.2 | Very low | 80 Ų | 80 | 122 Ų | 122 | 66% | 0.661 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -80.4 | 99.1 | 168 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 695 | A | 29.6 | Very low | 37.5 | Very low | 89 Ų | 89 | 125.9 Ų | 125.9 | 74% | 0.736 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 129.9 | 172 | 0 | 0 | 0 | 0 | 0 | 109.6 | H693 S697 | H693-A695 PolarHBondContact O-N 3.05Å; A695-S697 PolarHBondContact O-N 3.37Å; A695-S697 VanDerWaalsContact O-N 3.1Å |
| 696 | P | 32.8 | Very low | 34.9 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 64% | 0.643 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 118.5 | 174.9 | -17.6 | 29.3 | 0 | 0 | 0 | 108.7 | E698 | P696-E698 PolarHBondContact O-N 3.09Š|
| 697 | S | 32.5 | Very low | 32.6 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 127 | 168.7 | 50.7 | 0 | 0 | 0 | 0 | 109.3 | A695 W699 | A695-S697 PolarHBondContact O-N 3.37Å; A695-S697 VanDerWaalsContact O-N 3.1Å; S697-W699 PolarHBondContact O-N 3.44Å |
| 698 | E | 26.8 | Very low | 31.5 | Very low | 196 Ų | 196 | 137 Ų | 137 | 92% | 0.916 | 73% | 0.728 | S | S | * | * | trans | -41.1 | 120.2 | -177.8 | -152.8 | 168.3 | -166.7 | 0 | 0 | 112.2 | P696 | P696-E698 PolarHBondContact O-N 3.09Š| ||
| 699 | W | 33.9 | Very low | 30.7 | Very low | 191 Ų | 191 | 139 Ų | 139 | 72% | 0.723 | 73% | 0.734 | S | S | * | * | trans | -85.3 | 125.4 | -172.8 | -61 | 84.4 | 0 | 0 | 0 | 110.2 | S697 | S697-W699 PolarHBondContact O-N 3.44Š| ||
| 700 | V | 26.8 | Very low | 30.3 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 81% | 0.806 | 74% | 0.741 | S | S | * | * | trans | -99.7 | 109.5 | 160.3 | -179.4 | 0 | 0 | 0 | 0 | 107 | I702 | V700-I702 PolarHBondContact O-N 2.84Š| ||
| 701 | I | 28.5 | Very low | 29.6 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | trans | -70.4 | 118.8 | 170.8 | -58.6 | 175.6 | 0 | 0 | 0 | 106.6 | D703 | I701-D703 VanDerWaalsContact CG2-OD1 3.26Å; I701-D703 WeakPolarHBondContact CG2-OD1 3.4Å | ||
| 702 | I | 29.3 | Very low | 28.8 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | -101.2 | 102 | 162.2 | -60.7 | 176.4 | 0 | 0 | 0 | 104.6 | V700 S704 | V700-I702 PolarHBondContact O-N 2.84Å; I702-S704 PolarHBondContact O-N 2.83Å | ||
| 703 | D | 26.5 | Very low | 28.4 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -59.4 | 120.6 | 172.8 | -70.8 | -36.3 | 0 | 0 | 0 | 108.9 | I701 | I701-D703 VanDerWaalsContact CG2-OD1 3.26Å; I701-D703 WeakPolarHBondContact CG2-OD1 3.4Å | ||
| 704 | S | 30 | Very low | 28.2 | Very low | 92 Ų | 92 | 141.2 Ų | 141.2 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | trans | -130.8 | 89.4 | 168.7 | 163.3 | 0 | 0 | 0 | 0 | 105 | I702 H706 | I702-S704 PolarHBondContact O-N 2.83Å; S704-H706 PolarHBondContact O-N 3Å | ||
| 705 | D | 27.4 | Very low | 27.9 | Very low | 143 Ų | 143 | 145.7 Ų | 145.7 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | -45.2 | 119.9 | 170.7 | -58.3 | -41.4 | 0 | 0 | 0 | 110.3 | ||||
| 706 | H | 28.5 | Very low | 27.7 | Very low | 172 Ų | 172 | 149 Ų | 149 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | -165.3 | 85.4 | 145.8 | -101.3 | -51.6 | 0 | 0 | 0 | 108.7 | S704 | S704-H706 PolarHBondContact O-N 3Š| ||
| 707 | E | 27.2 | Very low | 27.2 | Very low | 180 Ų | 180 | 150.7 Ų | 150.7 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -72.1 | 128.7 | 148.4 | -68.8 | 179.2 | 163.7 | 0 | 0 | 107.9 | ||||
| 708 | D | 28.7 | Very low | 26.8 | Very low | 153 Ų | 153 | 148.9 Ų | 148.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -147.5 | 88.5 | 152.1 | -93.8 | -34.9 | 0 | 0 | 0 | 106.2 | ||||
| 709 | D | 25.7 | Very low | 26.5 | Very low | 160 Ų | 160 | 145.4 Ų | 145.4 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -78.5 | 129.6 | 153.1 | -85.5 | -44.5 | 0 | 0 | 0 | 108.6 | ||||
| 710 | A | 28.2 | Very low | 25.9 | Very low | 102 Ų | 102 | 141 Ų | 141 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -152.4 | 86.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 711 | A | 26 | Very low | 25.8 | Very low | 73 Ų | 73 | 140.5 Ų | 140.5 | 60% | 0.603 | 78% | 0.775 | S | S | * | * | trans | -84.1 | 113.1 | 156 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 712 | E | 24.7 | Very low | 25.4 | Very low | 191 Ų | 191 | 138.4 Ų | 138.4 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | trans | -100.5 | 112 | 160.2 | -77 | -174.4 | 166.5 | 0 | 0 | 108.6 | ||||
| 713 | R | 25.8 | Very low | 25.3 | Very low | 232 Ų | 232 | 138.4 Ų | 138.4 | 88% | 0.875 | 77% | 0.774 | S | S | * | * | trans | -117 | 110.1 | 160.4 | -97 | -175.4 | 177.2 | 163.2 | -0.4 | 109.2 | ||||
| 714 | E | 25.9 | Very low | 25.1 | Very low | 157 Ų | 157 | 136 Ų | 136 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | 48.5 | 89.7 | 125.2 | -64.9 | -179.3 | 179.7 | 0 | 0 | 116.5 | N716 | E714-N716 PolarHBondContact O-N 3.02Š| |||
| 715 | L | 21.8 | Very low | 25 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | trans | -36.7 | 116.1 | 137.1 | -74.5 | 149.3 | 0 | 0 | 0 | 110.8 | ||||
| 716 | N | 25.1 | Very low | 24.6 | Very low | 159 Ų | 159 | 140 Ų | 140 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -119.1 | 124.5 | 149.4 | -153.6 | 12.2 | 0 | 0 | 0 | 109.1 | E714 | E714-N716 PolarHBondContact O-N 3.02Š| ||
| 717 | V | 21.2 | Very low | 24.5 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | -71.5 | 133 | 179.4 | 172.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 718 | G | 24 | Very low | 24.3 | Very low | 65 Ų | 65 | 135.8 Ų | 135.8 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | trans | -165.4 | 72.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 719 | T | 22.4 | Very low | 24 | Very low | 123 Ų | 123 | 137 Ų | 137 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | 40.8 | 110.6 | 134.7 | -5.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 720 | S | 21.4 | Very low | 23.8 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | 75.8 | 138.9 | 119.5 | 65.5 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 721 | V | 23.3 | Very low | 23.6 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | trans | 98 | 95.3 | 147.2 | -167 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 722 | S | 21.6 | Very low | 23.4 | Very low | 90 Ų | 90 | 137 Ų | 137 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | 69.3 | 143.3 | 123.3 | 87.8 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 723 | D | 26.7 | Very low | 23.3 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | trans | 97.1 | 110.8 | 147.9 | -56.4 | -39.7 | 0 | 0 | 0 | 120.2 | ||||
| 724 | A | 21.6 | Very low | 23.2 | Very low | 85 Ų | 85 | 135.3 Ų | 135.3 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | trans | -60.5 | 165.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 725 | P | 28.5 | Very low | 22.9 | Very low | 123 Ų | 123 | 136 Ų | 136 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | -138.8 | 146.4 | 77.1 | 27 | -6 | 0 | 0 | 0 | 112.3 | |||||
| 726 | K | 19.3 | Very low | 23.2 | Very low | 198 Ų | 198 | 135.5 Ų | 135.5 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | 52.3 | 105.4 | 72.8 | -84.2 | -164.7 | 179.6 | -177.1 | 0 | 116.1 | |||||
| 727 | S | 25.9 | Very low | 23 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | 178.2 | 114.9 | 128.1 | 53.3 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 728 | E | 22.9 | Very low | 23.1 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | 87.3 | 111.1 | 94.4 | -76.1 | 168.2 | -177.4 | 0 | 0 | 111.6 | |||||
| 729 | E | 22.4 | Very low | 23 | Very low | 178 Ų | 178 | 137.5 Ų | 137.5 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | 96.6 | 147.7 | 107.8 | -81.6 | -175.6 | 176.1 | 0 | 0 | 109.8 | |||||
| 730 | S | 21.8 | Very low | 22.9 | Very low | 83 Ų | 83 | 136.3 Ų | 136.3 | 58% | 0.58 | 77% | 0.765 | S | S | * | * | cis | -170.8 | 159.7 | -8.3 | 177.4 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 731 | E | 24 | Very low | 23 | Very low | 186 Ų | 186 | 140 Ų | 140 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | trans | 65.8 | 141 | 156 | -77.3 | 160.3 | -151.9 | 0 | 0 | 118.6 | ||||
| 732 | G | 21.9 | Very low | 23 | Very low | 67 Ų | 67 | 141.4 Ų | 141.4 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | cis | 155 | 108.8 | 13.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 733 | L | 21.5 | Very low | 23.2 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | 31.9 | 131.5 | 138 | -141.3 | 79.3 | 0 | 0 | 0 | 121.5 | ||||
| 734 | R | 23.9 | Very low | 23.2 | Very low | 227 Ų | 227 | 144.1 Ų | 144.1 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | 141 | 110 | 140.9 | -79 | 169.5 | 176.6 | -173.5 | 0.4 | 109.4 | ||||
| 735 | E | 20.8 | Very low | 23.2 | Very low | 173 Ų | 173 | 148.6 Ų | 148.6 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | 62.7 | 116 | 59 | -153.3 | 175.5 | -138.3 | 0 | 0 | 113.3 | |||||
| 736 | L | 27.7 | Very low | 23.2 | Very low | 163 Ų | 163 | 148.8 Ų | 148.8 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | 174.3 | 100.4 | 160.2 | -91.3 | 161.1 | 0 | 0 | 0 | 106.6 | ||||
| 737 | Q | 20.6 | Very low | 23.5 | Very low | 178 Ų | 178 | 148 Ų | 148 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | 63.3 | 109.3 | 83.5 | -81 | -171.9 | -16.9 | 0 | 0 | 117.7 | |||||
| 738 | A | 22.3 | Very low | 23.3 | Very low | 89 Ų | 89 | 151.6 Ų | 151.6 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | 27.4 | 138.8 | 133.8 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 739 | T | 21.9 | Very low | 23.4 | Very low | 131 Ų | 131 | 149.7 Ų | 149.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 167.8 | 115.8 | 133.9 | 44.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 740 | S | 21.6 | Very low | 23.6 | Very low | 99 Ų | 99 | 152.9 Ų | 152.9 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | 82.2 | 145.5 | 80.9 | 73.6 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 741 | E | 23.7 | Very low | 23.7 | Very low | 176 Ų | 176 | 160.5 Ų | 160.5 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | 98.9 | 106.6 | 154.8 | -63.7 | 177.2 | 179.6 | 0 | 0 | 121.3 | ||||
| 742 | D | 21.8 | Very low | 24 | Very low | 151 Ų | 151 | 160.5 Ų | 160.5 | 81% | 0.807 | 81% | 0.812 | S | S | * | * | 28.8 | 129.6 | 126.5 | -67.2 | -29 | 0 | 0 | 0 | 121.3 | |||||
| 743 | S | 26.1 | Very low | 24.7 | Very low | 107 Ų | 107 | 162.9 Ų | 162.9 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | 160.8 | 137.2 | 109.4 | -75.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 744 | E | 26.3 | Very low | 24.8 | Very low | 190 Ų | 190 | 163.9 Ų | 163.9 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | trans | 81.6 | 140.8 | 138.4 | -74.6 | -172.9 | 161.9 | 0 | 0 | 125 | ||||
| 745 | Q | 22.2 | Very low | 25 | Very low | 180 Ų | 180 | 164.6 Ų | 164.6 | 84% | 0.841 | 82% | 0.82 | S | S | * | * | trans | -70.7 | 163.4 | -177.8 | -60.6 | 164.8 | -4.5 | 0 | 0 | 112.8 | ||||
| 746 | V | 28.4 | Very low | 25.6 | Very low | 127 Ų | 127 | 167.6 Ų | 167.6 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | 166.5 | 121.1 | 124.5 | 160.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 747 | K | 25 | Very low | 25.5 | Very low | 182 Ų | 182 | 165.6 Ų | 165.6 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | trans | 31 | 133.2 | 140.1 | -54.9 | 178.5 | 177.7 | 173.6 | 0 | 124.2 | ||||
| 748 | Q | 23.7 | Very low | 26.3 | Very low | 174 Ų | 174 | 163.1 Ų | 163.1 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | trans | 70.6 | 115.4 | 131.9 | -79 | -172 | -40 | 0 | 0 | 123.3 | ||||
| 749 | V | 23.1 | Very low | 26.8 | Very low | 124 Ų | 124 | 168.1 Ų | 168.1 | 75% | 0.752 | 83% | 0.825 | S | S | * | * | 55.8 | 107.9 | 124.4 | -171.3 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 750 | R | 28 | Very low | 27.4 | Very low | 244 Ų | 244 | 172.8 Ų | 172.8 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | -175 | 138.2 | 115 | -110.5 | 175.4 | 175.8 | 174.6 | -2.1 | 112.4 | |||||
| 751 | R | 23.9 | Very low | 28.2 | Very low | 243 Ų | 243 | 172 Ų | 172 | 92% | 0.917 | 83% | 0.827 | S | S | * | * | trans | -76.1 | 139.1 | 172.1 | -69.1 | 171.4 | 160.2 | 175.5 | -6.2 | 110.9 | ||||
| 752 | Q | 29 | Very low | 28.7 | Very low | 187 Ų | 187 | 173.3 Ų | 173.3 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | 152.1 | 159.1 | 144.1 | -87.1 | -171.9 | 15.6 | 0 | 0 | 111.3 | ||||
| 753 | P | 36.5 | Very low | 29.3 | Very low | 116 Ų | 116 | 174.3 Ų | 174.3 | 75% | 0.753 | 83% | 0.83 | S | S | * | * | -119 | 163 | -76.5 | 24.2 | -2.3 | 0 | 0 | 0 | 113.3 | R755 | P753-R755 PolarHBondContact O-N 3.5Š| |||
| 754 | M | 23.9 | Very low | 29.7 | Very low | 181 Ų | 181 | 177.7 Ų | 177.7 | 89% | 0.892 | 83% | 0.831 | S | S | * | * | trans | -43.8 | 120.7 | 167.6 | -152.4 | -174.8 | -65 | 0 | 0 | 113.4 | ||||
| 755 | R | 28.9 | Very low | 29.8 | Very low | 242 Ų | 242 | 177.7 Ų | 177.7 | 91% | 0.913 | 83% | 0.831 | S | S | * | * | trans | 163.3 | 91.2 | 136.9 | -88.8 | 170 | -167.9 | -132.7 | 3.8 | 110 | P753 | P753-R755 PolarHBondContact O-N 3.5Š| ||
| 756 | R | 32.9 | Very low | 30.2 | Very low | 235 Ų | 235 | 176.9 Ų | 176.9 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | trans | -126.1 | 107.5 | 150.6 | -161.5 | 169.9 | -179.6 | 176.3 | -1.3 | 107.8 | V758 | R756-V758 PolarHBondContact O-N 3.23Š| ||
| 757 | C | 26.4 | Very low | 30.3 | Very low | 121 Ų | 121 | 179.8 Ų | 179.8 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -60.4 | 98.9 | 172.9 | -167.2 | 0 | 0 | 0 | 0 | 107.7 | K759 | C757-K759 PolarHBondContact O-N 3.01Š| ||
| 758 | V | 36 | Very low | 30.6 | Very low | 127 Ų | 127 | 176.8 Ų | 176.8 | 77% | 0.77 | 83% | 0.829 | S | S | * | * | trans | -75.7 | 108.2 | 169.9 | -179.9 | 0 | 0 | 0 | 0 | 105.8 | R756 R760 | R756-V758 PolarHBondContact O-N 3.23Å; V758-R760 PolarHBondContact O-N 2.89Å | ||
| 759 | K | 33.7 | Very low | 31 | Very low | 194 Ų | 194 | 175.6 Ų | 175.6 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | trans | -56.8 | 105.7 | 171 | -67.7 | -179.1 | 179.8 | 178.6 | 0 | 107.2 | C757 A761 | C757-K759 PolarHBondContact O-N 3.01Å; K759-A761 PolarHBondContact O-N 2.95Å; K759-A761 VanDerWaalsContact O-N 3.08Å | ||
| 760 | R | 35.4 | Very low | 31.6 | Very low | 228 Ų | 228 | 176.8 Ų | 176.8 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -59.1 | 112.7 | 178.1 | -163.9 | 172.3 | 175.2 | 177.7 | -2.7 | 107.6 | V758 K762 | V758-R760 PolarHBondContact O-N 2.89Å; R760-K762 PolarHBondContact O-N 2.83Å | ||
| 761 | A | 37.5 | Very low | 32.2 | Very low | 83 Ų | 83 | 170.9 Ų | 170.9 | 69% | 0.686 | 82% | 0.815 | S | S | * | * | trans | -56.4 | 129.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | K759 E763 | K759-A761 PolarHBondContact O-N 2.95Å; K759-A761 VanDerWaalsContact O-N 3.08Å; A761-E763 VanDerWaalsContact C-N 3.29Å; A761-E763 PolarHBondContact O-N 2.93Å | ||
| 762 | K | 33.7 | Very low | 33.5 | Very low | 204 Ų | 204 | 163.3 Ų | 163.3 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -63.6 | 96.7 | 168.4 | -78.3 | -179.5 | 172.9 | -178.2 | 0 | 106.5 | R760 K764 | R760-K762 PolarHBondContact O-N 2.83Å; K762-K764 PolarHBondContact O-N 3.25Å; K762-K764 VanDerWaalsContact O-N 3.12Å | ||
| 763 | E | 35.4 | Very low | 34.9 | Very low | 171 Ų | 171 | 160.3 Ų | 160.3 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -55.9 | 116.9 | 163.9 | -82.7 | 172.5 | 151.5 | 0 | 0 | 106.5 | A761 E765 | A761-E763 VanDerWaalsContact C-N 3.29Å; A761-E763 PolarHBondContact O-N 2.93Å; E763-E765 PolarHBondContact O-N 3.42Å; E763-E765 VanDerWaalsContact O-N 3.1Å | ||
| 764 | K | 34.1 | Very low | 36.8 | Very low | 179 Ų | 179 | 158.8 Ų | 158.8 | 78% | 0.778 | 79% | 0.791 | S | S | * | * | trans | -64.9 | 110.8 | 172.5 | -75.2 | 178.8 | 175.3 | 179.3 | 0 | 106 | K762 H766 | K762-K764 PolarHBondContact O-N 3.25Å; K762-K764 VanDerWaalsContact O-N 3.12Å; K764-H766 VanDerWaalsContact C-N 3.33Å; K764-H766 PolarHBondContact O-CD2 2.97Å; K764-H766 PolarHBondContact O-N 3.26Å | ||
| 765 | E | 28.7 | Very low | 39.8 | Very low | 190 Ų | 190 | 152.3 Ų | 152.3 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | trans | -59 | 99.9 | 168.1 | -68.8 | 173 | 172.6 | 0 | 0 | 107 | E763 E767 | E763-E765 PolarHBondContact O-N 3.42Å; E763-E765 VanDerWaalsContact O-N 3.1Å; E765-E767 PolarHBondContact O-N 2.8Å | ||
| 766 | H | 30.5 | Very low | 42.7 | Very low | 162 Ų | 162 | 141.3 Ų | 141.3 | 75% | 0.75 | 72% | 0.719 | S | S | * | * | trans | -71.3 | 107.3 | 164.1 | -76.7 | -94.6 | 0 | 0 | 0 | 105.8 | K764 V768 | K764-H766 VanDerWaalsContact C-N 3.33Å; K764-H766 PolarHBondContact O-CD2 2.97Å; K764-H766 PolarHBondContact O-N 3.26Å; H766-V768 WeakPolarHBondContact O-CG2 3.18Å; H766-V768 PolarHBondContact O-N 3.24Å | ||
| 767 | E | 29.9 | Very low | 45.2 | Very low | 188 Ų | 188 | 132 Ų | 132 | 88% | 0.879 | 70% | 0.697 | S | S | * | * | trans | -58.9 | 91.2 | 162.9 | -82.6 | -177.5 | 149.9 | 0 | 0 | 107.8 | E765 N769 | E765-E767 PolarHBondContact O-N 2.8Å; E767-N769 VanDerWaalsContact C-N 3.35Å; E767-N769 PolarHBondContact O-N 2.95Å; E767-N769 VanDerWaalsContact O-N 3.07Å | ||
| 768 | V | 30.9 | Very low | 48 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | trans | -76.2 | 96 | 169.7 | -135.1 | 0 | 0 | 0 | 0 | 105.8 | H766 F770 | H766-V768 WeakPolarHBondContact O-CG2 3.18Å; H766-V768 PolarHBondContact O-N 3.24Å; V768-F770 VanDerWaalsContact C-N 3.34Å; V768-F770 PolarHBondContact O-N 3.05Å | ||
| 769 | N | 32.1 | Very low | 50.5 | Low | 149 Ų | 149 | 124.8 Ų | 124.8 | 80% | 0.797 | 65% | 0.651 | S | S | * | * | trans | -56.8 | 101.3 | 166.6 | -108.7 | -31 | 0 | 0 | 0 | 107.5 | E767 T771 | E767-N769 VanDerWaalsContact C-N 3.35Å; E767-N769 PolarHBondContact O-N 2.95Å; E767-N769 VanDerWaalsContact O-N 3.07Å; N769-T771 PolarHBondContact O-N 3.1Å | ||
| 770 | F | 37.1 | Very low | 53.1 | Low | 148 Ų | 148 | 120.1 Ų | 120.1 | 65% | 0.649 | 64% | 0.643 | S | S | * | * | trans | -71.8 | 82.3 | 178 | -131.1 | -90.1 | 0 | 0 | 0 | 108 | V768 A772 | V768-F770 VanDerWaalsContact C-N 3.34Å; V768-F770 PolarHBondContact O-N 3.05Å; F770-A772 PolarHBondContact O-N 3.2Å | ||
| 771 | T | 39.5 | Very low | 55.6 | Low | 121 Ų | 121 | 113.5 Ų | 113.5 | 74% | 0.742 | 62% | 0.622 | S | S | * | * | trans | -70.3 | 87.8 | 161.1 | 40.4 | 0 | 0 | 0 | 0 | 106.6 | N769 L773 | N769-T771 PolarHBondContact O-N 3.1Å; T771-L773 VanDerWaalsContact C-N 3.28Å; T771-L773 PolarHBondContact O-N 2.63Å | ||
| 772 | A | 52 | Low | 58.1 | Low | 84 Ų | 84 | 109.6 Ų | 109.6 | 69% | 0.694 | 59% | 0.589 | S | S | * | * | trans | -57.9 | 96.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | F770 A774 | F770-A772 PolarHBondContact O-N 3.2Å; A772-A774 PolarHBondContact O-N 2.84Å | ||
| 773 | L | 58.9 | Low | 60.7 | Low | 123 Ų | 123 | 103.9 Ų | 103.9 | 64% | 0.644 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 127.6 | 168.1 | -71.2 | 165.9 | 0 | 0 | 0 | 106 | T771 R828 | T771-L773 VanDerWaalsContact C-N 3.28Å; T771-L773 PolarHBondContact O-N 2.63Å; L773-R828 PolarHBondContact O-NH2 3.01Å |
| 774 | A | 74.6 | Confident | 63.1 | Low | 85 Ų | 85 | 100.1 Ų | 100.1 | 70% | 0.702 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 144.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | A772 R828 | A772-A774 PolarHBondContact O-N 2.84Å; A774-R828 PolarHBondContact O-NH2 3.28Å; A774-R828 VanDerWaalsContact O-NH2 3.08Å |
| 775 | D | 88.8 | Confident | 65.6 | Low | 45 Ų | 45 | 92.7 Ų | 92.7 | 24% | 0.241 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 141 | 172 | -75.8 | -26.2 | 0 | 0 | 0 | 109.5 | G777 R827 R828 | D775-G777 PolarHBondContact O-N 3.07Å; D775-R827 WeakPolarHBondContact OD2-CA 3.14Å; D775-R827 VanDerWaalsContact OD2-CD 3.26Å; D775-R827 WeakPolarHBondContact OD2-CD 3.19Å; D775-R827 IonicContact OD2-NE 3.54Å; D775-R827 PolarHBondContact OD2-NE 2.92Å; D775-R828 IonicContact OD1-CZ 3.53Å; D775-R828 PolarHBondContact OD1-N 2.91Å; D775-R828 IonicContact OD1-NE 2.83Å; D775-R828 PolarHBondContact OD1-NE 2.98Å; D775-R828 IonicContact OD1-NH2 3.39Å; D775-R828 PolarHBondContact OD1-NH2 3.43Å; D775-R828 PolarHBondContact OD2-N 3.2Å |
| 776 | P | 87.9 | Confident | 68.3 | Low | 10 Ų | 10 | 90 Ų | 90 | 7% | 0.065 | 53% | 0.53 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 132.4 | -176.2 | 24.6 | -31.4 | 0 | 0 | 0 | 111.6 | E781 A782 W791 F826 | P776-E781 HydrophobicContact CB-CB 4.1Å; P776-E781 HydrophobicContact CB-CG 3.89Å; P776-A782 HydrophobicContact CB-CB 3.78Å; P776-A782 HydrophobicContact CG-CB 3.65Å; P776-W791 HydrophobicContact CG-CD2 4.17Å; P776-W791 HydrophobicContact CG-CZ2 3.82Å; P776-F826 HydrophobicContact CG-CB 3.78Å; P776-F826 HydrophobicContact CG-CD2 4.16Å; P776-F826 HydrophobicContact CG-CG 3.98Å; P776-F826 WeakPolarHBondContact O-CD2 3.45Å |
| 777 | G | 85.3 | Confident | 71.1 | Confident | 40 Ų | 40 | 84.2 Ų | 84.2 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -87.8 | -7.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D775 E781 K823 | D775-G777 PolarHBondContact O-N 3.07Å; G777-E781 PolarHBondContact N-OE2 3.08Å; G777-K823 VanDerWaalsContact O-CE 3.23Å; G777-K823 WeakPolarHBondContact O-CE 3.49Å; G777-K823 PolarHBondContact O-NZ 3.1Å |
| 778 | S | 87.2 | Confident | 73.9 | Confident | 45 Ų | 45 | 77.1 Ų | 77.1 | 32% | 0.315 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -145.6 | 159.4 | -179 | 72.9 | 0 | 0 | 0 | 0 | 112.4 | S780 E781 A782 | S778-S780 VanDerWaalsContact C-N 3.3Å; S778-S780 PolarHBondContact O-N 3.33Å; S778-E781 PolarHBondContact O-N 2.83Å; S778-E781 VanDerWaalsContact OG-CB 3.25Å; S778-E781 WeakPolarHBondContact OG-CB 3.46Å; S778-E781 PolarHBondContact OG-N 3.06Å; S778-E781 VanDerWaalsContact OG-N 3.14Å; S778-A782 WeakPolarHBondContact O-CB 3.4Å; S778-A782 PolarHBondContact O-N 2.85Å |
| 779 | V | 88.1 | Confident | 76.7 | Confident | 52 Ų | 52 | 75 Ų | 75 | 32% | 0.315 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 176 | -179.9 | 0 | 0 | 0 | 0 | 111 | E781 A782 L783 M795 W824 F826 | V779-E781 VanDerWaalsContact C-N 3.33Å; V779-E781 PolarHBondContact O-N 3.46Å; V779-A782 PolarHBondContact O-N 3.19Å; V779-L783 HydrophobicContact CG1-CD1 3.72Å; V779-L783 HydrophobicContact CG1-CG 4.15Å; V779-L783 WeakPolarHBondContact O-CB 3.44Å; V779-L783 WeakPolarHBondContact O-CG 3.33Å; V779-L783 PolarHBondContact O-N 2.92Å; V779-M795 HydrophobicContact CG1-CE 4.06Å; V779-M795 HydrophobicContact CG2-CE 4.38Å; V779-W824 HydrophobicContact CG2-CB 3.66Å; V779-W824 HydrophobicContact CG2-CG 3.85Å; V779-F826 HydrophobicContact CG2-CE2 4.29Å; V779-F826 HydrophobicContact CG2-CZ 4.15Å |
| 780 | S | 87.2 | Confident | 79.6 | Confident | 96 Ų | 96 | 70.2 Ų | 70.2 | 67% | 0.671 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.1 | -45 | 178.2 | -169.5 | 0 | 0 | 0 | 0 | 111.3 | S778 L783 S784 | S778-S780 VanDerWaalsContact C-N 3.3Å; S778-S780 PolarHBondContact O-N 3.33Å; S780-L783 PolarHBondContact O-N 2.98Å; S780-S784 WeakPolarHBondContact O-CB 3.4Å; S780-S784 PolarHBondContact O-N 3.33Å; S780-S784 PolarHBondContact O-OG 3.21Å |
| 781 | E | 88.7 | Confident | 82.3 | Confident | 89 Ų | 89 | 63.2 Ų | 63.2 | 42% | 0.416 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 178.2 | -172.9 | -177 | 179.3 | 0 | 0 | 112 | P776 G777 S778 V779 S784 S785 | P776-E781 HydrophobicContact CB-CB 4.1Å; P776-E781 HydrophobicContact CB-CG 3.89Å; G777-E781 PolarHBondContact N-OE2 3.08Å; S778-E781 PolarHBondContact O-N 2.83Å; S778-E781 VanDerWaalsContact OG-CB 3.25Å; S778-E781 WeakPolarHBondContact OG-CB 3.46Å; S778-E781 PolarHBondContact OG-N 3.06Å; S778-E781 VanDerWaalsContact OG-N 3.14Å; V779-E781 VanDerWaalsContact C-N 3.33Å; V779-E781 PolarHBondContact O-N 3.46Å; E781-S784 WeakPolarHBondContact CA-OG 3.07Å; E781-S784 PolarHBondContact O-N 3.05Å; E781-S784 PolarHBondContact O-OG 2.81Å; E781-S784 VanDerWaalsContact O-OG 3.05Å; E781-S785 WeakPolarHBondContact O-CB 3.44Å; E781-S785 PolarHBondContact O-N 3.39Å |
| 782 | A | 89.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P776 S778 V779 S785 S788 W791 F826 | P776-A782 HydrophobicContact CB-CB 3.78Å; P776-A782 HydrophobicContact CG-CB 3.65Å; S778-A782 WeakPolarHBondContact O-CB 3.4Å; S778-A782 PolarHBondContact O-N 2.85Å; V779-A782 PolarHBondContact O-N 3.19Å; A782-S785 WeakPolarHBondContact O-CB 3.28Å; A782-S785 PolarHBondContact O-N 3.03Å; A782-S785 PolarHBondContact O-OG 2.79Å; A782-S788 WeakPolarHBondContact O-CA 3.35Å; A782-S788 WeakPolarHBondContact O-CB 3.21Å; A782-W791 HydrophobicContact CB-CB 4.14Å; A782-W791 HydrophobicContact CB-CG 4.11Å; A782-F826 HydrophobicContact CB-CD1 4.2Å; A782-F826 HydrophobicContact CB-CD2 4.05Å; A782-F826 HydrophobicContact CB-CE1 3.9Å; A782-F826 HydrophobicContact CB-CE2 3.76Å; A782-F826 HydrophobicContact CB-CG 4.27Å; A782-F826 HydrophobicContact CB-CZ 3.66Å |
| 783 | L | 88.8 | Confident | 86.8 | Confident | 84 Ų | 84 | 66.1 Ų | 66.1 | 44% | 0.44 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -76.3 | -21.2 | -180 | -65.8 | 179.1 | 0 | 0 | 0 | 113.6 | V779 S780 S788 K792 | V779-L783 HydrophobicContact CG1-CD1 3.72Å; V779-L783 HydrophobicContact CG1-CG 4.15Å; V779-L783 WeakPolarHBondContact O-CB 3.44Å; V779-L783 WeakPolarHBondContact O-CG 3.33Å; V779-L783 PolarHBondContact O-N 2.92Å; S780-L783 PolarHBondContact O-N 2.98Å; L783-S788 WeakPolarHBondContact O-CB 3.16Å; L783-K792 HydrophobicContact CD2-CB 4.24Å |
| 784 | S | 85.9 | Confident | 88.5 | Confident | 92 Ų | 92 | 60.5 Ų | 60.5 | 64% | 0.643 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -86.9 | -9.5 | 170.5 | 62.3 | 0 | 0 | 0 | 0 | 113.8 | S780 E781 | S780-S784 WeakPolarHBondContact O-CB 3.4Å; S780-S784 PolarHBondContact O-N 3.33Å; S780-S784 PolarHBondContact O-OG 3.21Å; E781-S784 WeakPolarHBondContact CA-OG 3.07Å; E781-S784 PolarHBondContact O-N 3.05Å; E781-S784 PolarHBondContact O-OG 2.81Å; E781-S784 VanDerWaalsContact O-OG 3.05Å |
| 785 | S | 86.3 | Confident | 89.4 | Confident | 24 Ų | 24 | 57.5 Ų | 57.5 | 17% | 0.168 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -76 | 157.6 | -178.3 | 75.1 | 0 | 0 | 0 | 0 | 112.3 | E781 A782 D787 S788 | E781-S785 WeakPolarHBondContact O-CB 3.44Å; E781-S785 PolarHBondContact O-N 3.39Å; A782-S785 WeakPolarHBondContact O-CB 3.28Å; A782-S785 PolarHBondContact O-N 3.03Å; A782-S785 PolarHBondContact O-OG 2.79Å; S785-D787 PolarHBondContact O-N 2.98Å; S785-S788 WeakPolarHBondContact O-CB 3.13Å; S785-S788 PolarHBondContact O-N 2.82Å; S785-S788 PolarHBondContact O-OG 3.01Å; S785-S788 PolarHBondContact OG-N 3.1Å |
| 786 | P | 85.9 | Confident | 89.7 | Confident | 132 Ų | 132 | 59.1 Ų | 59.1 | 86% | 0.857 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -32.5 | 172.7 | -24.4 | 34.2 | 0 | 0 | 0 | 112.9 | S788 | P786-S788 PolarHBondContact O-N 3.33Š|
| 787 | D | 89.2 | Confident | 89.9 | Confident | 41 Ų | 41 | 62.6 Ų | 62.6 | 22% | 0.219 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 13.2 | 178.3 | -61.9 | -50.2 | 0 | 0 | 0 | 113.4 | S785 A789 N790 W791 Y839 | S785-D787 PolarHBondContact O-N 2.98Å; D787-A789 VanDerWaalsContact C-N 3.26Å; D787-A789 PolarHBondContact O-N 3.06Å; D787-A789 VanDerWaalsContact O-N 3.15Å; D787-N790 WeakPolarHBondContact O-CA 3.37Å; D787-N790 WeakPolarHBondContact O-CB 3.42Å; D787-N790 PolarHBondContact O-N 3.26Å; D787-W791 VanDerWaalsContact O-CD1 3.31Å; D787-W791 PolarHBondContact O-N 2.72Å; D787-Y839 HydrophobicContact CB-CE1 3.83Å; D787-Y839 PolarHBondContact OD1-OH 2.85Å; D787-Y839 PolarHBondContact OD2-OH 2.96Å |
| 788 | S | 88.3 | Confident | 90.3 | Very high | 40 Ų | 40 | 62.8 Ų | 62.8 | 28% | 0.28 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -51.3 | -39.8 | -175.1 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | A782 L783 S785 P786 N790 W791 K792 | A782-S788 WeakPolarHBondContact O-CA 3.35Å; A782-S788 WeakPolarHBondContact O-CB 3.21Å; L783-S788 WeakPolarHBondContact O-CB 3.16Å; S785-S788 WeakPolarHBondContact O-CB 3.13Å; S785-S788 PolarHBondContact O-N 2.82Å; S785-S788 PolarHBondContact O-OG 3.01Å; S785-S788 PolarHBondContact OG-N 3.1Å; P786-S788 PolarHBondContact O-N 3.33Å; S788-N790 VanDerWaalsContact C-N 3.34Å; S788-N790 PolarHBondContact O-N 2.91Å; S788-W791 PolarHBondContact O-N 2.78Å; S788-K792 WeakPolarHBondContact O-CB 3.46Å; S788-K792 PolarHBondContact O-N 2.96Å |
| 789 | A | 89.6 | Confident | 90.4 | Very high | 75 Ų | 75 | 65.9 Ų | 65.9 | 62% | 0.62 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.4 | -39.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D787 R793 | D787-A789 VanDerWaalsContact C-N 3.26Å; D787-A789 PolarHBondContact O-N 3.06Å; D787-A789 VanDerWaalsContact O-N 3.15Å; A789-R793 PolarHBondContact O-N 3.04Å; A789-R793 VanDerWaalsContact O-N 3.08Å |
| 790 | N | 92.9 | Very high | 90.5 | Very high | 48 Ų | 48 | 69.5 Ų | 69.5 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71.1 | -40.5 | 177.5 | -73.3 | -49.1 | 0 | 0 | 0 | 111.9 | D787 S788 R793 A794 Y839 | D787-N790 WeakPolarHBondContact O-CA 3.37Å; D787-N790 WeakPolarHBondContact O-CB 3.42Å; D787-N790 PolarHBondContact O-N 3.26Å; S788-N790 VanDerWaalsContact C-N 3.34Å; S788-N790 PolarHBondContact O-N 2.91Å; N790-R793 PolarHBondContact O-N 3.4Å; N790-R793 PolarHBondContact OD1-NH2 2.94Å; N790-A794 PolarHBondContact O-N 3.48Å; N790-Y839 HydrophobicContact CB-CD1 4.06Å; N790-Y839 HydrophobicContact CB-CD2 3.48Å; N790-Y839 VanDerWaalsContact CB-CD2 3.48Å; N790-Y839 HydrophobicContact CB-CE1 4.26Å; N790-Y839 HydrophobicContact CB-CE2 3.69Å; N790-Y839 HydrophobicContact CB-CG 3.68Å |
| 791 | W | 94.7 | Very high | 90.7 | Very high | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.008 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 174.8 | -68.9 | 122.6 | 0 | 0 | 0 | 112.2 | P776 A782 D787 S788 A794 M795 F826 R828 Y839 | P776-W791 HydrophobicContact CG-CD2 4.17Å; P776-W791 HydrophobicContact CG-CZ2 3.82Å; A782-W791 HydrophobicContact CB-CB 4.14Å; A782-W791 HydrophobicContact CB-CG 4.11Å; D787-W791 VanDerWaalsContact O-CD1 3.31Å; D787-W791 PolarHBondContact O-N 2.72Å; S788-W791 PolarHBondContact O-N 2.78Å; W791-A794 PolarHBondContact O-N 3.05Å; W791-M795 WeakPolarHBondContact O-CG 3.48Å; W791-M795 PolarHBondContact O-N 3.4Å; W791-F826 HydrophobicContact CB-CD1 4.45Å; W791-F826 HydrophobicContact CB-CE1 4.42Å; W791-F826 HydrophobicContact CD2-CB 4.44Å; W791-F826 HydrophobicContact CD2-CD1 4.05Å; W791-F826 HydrophobicContact CE3-CB 3.91Å; W791-F826 AromaticContact CE3-CD1 3.56Å; W791-F826 HydrophobicContact CE3-CD1 3.56Å; W791-F826 HydrophobicContact CE3-CG 4.15Å; W791-F826 HydrophobicContact CG-CD1 4.46Å; W791-F826 HydrophobicContact CH2-CB 3.89Å; W791-F826 HydrophobicContact CZ2-CB 4.45Å; W791-F826 HydrophobicContact CZ3-CB 3.63Å; W791-F826 HydrophobicContact CZ3-CD1 4.11Å; W791-F826 HydrophobicContact CZ3-CG 4.35Å; W791-R828 HydrophobicContact CH2-CG 3.77Å; W791-R828 HydrophobicContact CZ2-CG 3.9Å; W791-Y839 AromaticContact CD2-CD1 3.69Å; W791-Y839 HydrophobicContact CD2-CD1 3.69Å; W791-Y839 HydrophobicContact CD2-CE1 4.36Å; W791-Y839 AromaticContact CE2-CD1 3.56Å; W791-Y839 AromaticContact CE2-CE1 3.82Å; W791-Y839 AromaticContact CE3-CD1 3.74Å; W791-Y839 HydrophobicContact CE3-CD1 3.74Å; W791-Y839 HydrophobicContact CE3-CG 4.4Å; W791-Y839 HydrophobicContact CG-CD1 4.47Å; W791-Y839 AromaticContact CH2-CD1 3.65Å; W791-Y839 HydrophobicContact CH2-CD1 3.65Å; W791-Y839 HydrophobicContact CH2-CE1 4.28Å; W791-Y839 AromaticContact CZ2-CD1 3.56Å; W791-Y839 HydrophobicContact CZ2-CD1 3.56Å; W791-Y839 AromaticContact CZ2-CE1 3.79Å; W791-Y839 HydrophobicContact CZ2-CE1 3.79Å; W791-Y839 AromaticContact CZ3-CD1 3.72Å; W791-Y839 HydrophobicContact CZ3-CD1 3.72Å; W791-Y839 HydrophobicContact CZ3-CG 4.42Å |
| 792 | K | 92.6 | Very high | 90.5 | Very high | 122 Ų | 122 | 63.5 Ų | 63.5 | 53% | 0.53 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 176.6 | -172.4 | 175.6 | 179 | -177.1 | 0 | 111.4 | L783 S788 A794 M795 D796 | L783-K792 HydrophobicContact CD2-CB 4.24Å; S788-K792 WeakPolarHBondContact O-CB 3.46Å; S788-K792 PolarHBondContact O-N 2.96Å; K792-A794 VanDerWaalsContact C-N 3.29Å; K792-A794 PolarHBondContact O-N 3.31Å; K792-M795 WeakPolarHBondContact O-CB 3.41Å; K792-M795 PolarHBondContact O-N 3Å; K792-D796 VanDerWaalsContact O-CG 3.3Å; K792-D796 PolarHBondContact O-N 3.15Å |
| 793 | R | 92.9 | Very high | 90.2 | Very high | 143 Ų | 143 | 67.5 Ų | 67.5 | 54% | 0.54 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.6 | -42 | 174 | 179.2 | 172.6 | 57.1 | 166 | -3.9 | 112.3 | A789 N790 M795 D796 E797 | A789-R793 PolarHBondContact O-N 3.04Å; A789-R793 VanDerWaalsContact O-N 3.08Å; N790-R793 PolarHBondContact O-N 3.4Å; N790-R793 PolarHBondContact OD1-NH2 2.94Å; R793-M795 VanDerWaalsContact C-N 3.33Å; R793-M795 PolarHBondContact O-N 3.34Å; R793-D796 PolarHBondContact O-N 3.22Å; R793-E797 WeakPolarHBondContact O-CG 3.32Å; R793-E797 PolarHBondContact O-N 2.69Å |
| 794 | A | 94.1 | Very high | 90 | Very high | 5 Ų | 5 | 72.4 Ų | 72.4 | 4% | 0.041 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.3 | -32.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | N790 W791 K792 E798 Y839 A841 | N790-A794 PolarHBondContact O-N 3.48Å; W791-A794 PolarHBondContact O-N 3.05Å; K792-A794 VanDerWaalsContact C-N 3.29Å; K792-A794 PolarHBondContact O-N 3.31Å; A794-E798 PolarHBondContact O-N 3.21Å; A794-Y839 WeakPolarHBondContact CB-O 3.39Å; A794-A841 HydrophobicContact CB-CB 4.02Å |
| 795 | M | 94.7 | Very high | 90 | Very high | 23 Ų | 23 | 76.5 Ų | 76.5 | 11% | 0.113 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68 | -45.1 | 172.6 | -68.2 | 171 | 68.9 | 0 | 0 | 111.1 | V779 W791 K792 R793 E798 Y799 W824 F826 A841 | V779-M795 HydrophobicContact CG1-CE 4.06Å; V779-M795 HydrophobicContact CG2-CE 4.38Å; W791-M795 WeakPolarHBondContact O-CG 3.48Å; W791-M795 PolarHBondContact O-N 3.4Å; K792-M795 WeakPolarHBondContact O-CB 3.41Å; K792-M795 PolarHBondContact O-N 3Å; R793-M795 VanDerWaalsContact C-N 3.33Å; R793-M795 PolarHBondContact O-N 3.34Å; M795-E798 PolarHBondContact O-N 3.38Å; M795-Y799 WeakPolarHBondContact O-CB 3.4Å; M795-Y799 PolarHBondContact O-N 2.61Å; M795-W824 HydrophobicContact CB-CE3 4.43Å; M795-W824 HydrophobicContact CB-CH2 3.91Å; M795-W824 HydrophobicContact CB-CZ2 4.28Å; M795-W824 HydrophobicContact CB-CZ3 4Å; M795-W824 HydrophobicContact CE-CD2 3.8Å; M795-W824 HydrophobicContact CE-CE3 4.46Å; M795-W824 HydrophobicContact CE-CG 3.95Å; M795-W824 HydrophobicContact CE-CZ2 4.1Å; M795-W824 HydrophobicContact CG-CD2 4.2Å; M795-W824 HydrophobicContact CG-CE3 3.91Å; M795-W824 HydrophobicContact CG-CH2 4.29Å; M795-W824 HydrophobicContact CG-CZ3 3.96Å; M795-W824 WeakPolarHBondContact O-CH2 2.91Å; M795-F826 HydrophobicContact CG-CE1 3.68Å; M795-F826 HydrophobicContact CG-CZ 4.27Å; M795-F826 HydrophobicContact SD-CE1 3.64Å; M795-F826 HydrophobicContact SD-CZ 3.76Å; M795-A841 HydrophobicContact CB-CB 4.38Å; M795-A841 HydrophobicContact CG-CB 3.71Å |
| 796 | D | 93.1 | Very high | 89.8 | Confident | 78 Ų | 78 | 83.6 Ų | 83.6 | 42% | 0.417 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 178.9 | -63.8 | -26.6 | 0 | 0 | 0 | 110.8 | K792 R793 E798 Y799 E800 | K792-D796 VanDerWaalsContact O-CG 3.3Å; K792-D796 PolarHBondContact O-N 3.15Å; R793-D796 PolarHBondContact O-N 3.22Å; D796-E798 PolarHBondContact O-N 3.24Å; D796-Y799 PolarHBondContact O-N 3.33Å; D796-E800 WeakPolarHBondContact O-CB 3Å; D796-E800 WeakPolarHBondContact O-CG 3.26Å; D796-E800 PolarHBondContact O-N 2.9Å |
| 797 | E | 92.4 | Very high | 89.3 | Confident | 83 Ų | 83 | 81 Ų | 81 | 39% | 0.388 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.3 | -44.1 | 175.4 | -79.7 | -178.7 | -158.2 | 0 | 0 | 112.6 | R793 S801 R838 | R793-E797 WeakPolarHBondContact O-CG 3.32Å; R793-E797 PolarHBondContact O-N 2.69Å; E797-S801 WeakPolarHBondContact O-CB 3.5Å; E797-S801 PolarHBondContact O-N 2.78Å; E797-R838 IonicContact OE2-NH2 3.29Å; E797-R838 PolarHBondContact OE2-NH2 3.14Å |
| 798 | E | 93.9 | Very high | 88.9 | Confident | 44 Ų | 44 | 84.4 Ų | 84.4 | 21% | 0.206 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.3 | -42.1 | 177.8 | 178.6 | 72.7 | 164.6 | 0 | 0 | 111 | A794 M795 D796 S801 L802 W824 | A794-E798 PolarHBondContact O-N 3.21Å; M795-E798 PolarHBondContact O-N 3.38Å; D796-E798 PolarHBondContact O-N 3.24Å; E798-S801 WeakPolarHBondContact O-CB 3.29Å; E798-S801 PolarHBondContact O-N 3.08Å; E798-L802 HydrophobicContact CG-CD1 3.9Å; E798-L802 WeakPolarHBondContact O-CD1 3.4Å; E798-L802 WeakPolarHBondContact O-CG 3.25Å; E798-L802 PolarHBondContact O-N 2.84Å; E798-W824 HydrophobicContact CB-CH2 4.3Å; E798-W824 HydrophobicContact CB-CZ3 4.08Å; E798-W824 HydrophobicContact CG-CH2 4.35Å; E798-W824 HydrophobicContact CG-CZ3 4.06Å |
| 799 | Y | 90.7 | Very high | 88.5 | Confident | 110 Ų | 110 | 88.3 Ų | 88.3 | 43% | 0.431 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64 | -46.8 | 178.8 | -174 | -110.1 | 0 | 0 | 0 | 111.9 | M795 D796 S801 L802 L803 W808 | M795-Y799 WeakPolarHBondContact O-CB 3.4Å; M795-Y799 PolarHBondContact O-N 2.61Å; D796-Y799 PolarHBondContact O-N 3.33Å; Y799-S801 VanDerWaalsContact C-N 3.33Å; Y799-S801 PolarHBondContact O-N 3.14Å; Y799-L802 PolarHBondContact O-N 3.14Å; Y799-L803 HydrophobicContact CD1-CD1 3.86Å; Y799-L803 HydrophobicContact CD1-CG 4.45Å; Y799-L803 HydrophobicContact CE1-CD1 3.49Å; Y799-L803 VanDerWaalsContact CE1-CD1 3.49Å; Y799-L803 HydrophobicContact CE1-CG 4.16Å; Y799-L803 WeakPolarHBondContact O-CG 3.34Å; Y799-L803 PolarHBondContact O-N 2.96Å; Y799-W808 HydrophobicContact CD2-CH2 4.11Å; Y799-W808 HydrophobicContact CD2-CZ2 4.46Å; Y799-W808 HydrophobicContact CE2-CH2 4.04Å; Y799-W808 AromaticContact CE2-CZ2 3.95Å; Y799-W808 HydrophobicContact CE2-CZ2 3.95Å |
| 800 | E | 90.1 | Very high | 88.1 | Confident | 129 Ų | 129 | 93.7 Ų | 93.7 | 60% | 0.603 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.3 | -40.8 | 173.9 | -74.6 | -175.8 | 178.3 | 0 | 0 | 112.1 | D796 L802 L803 K804 | D796-E800 WeakPolarHBondContact O-CB 3Å; D796-E800 WeakPolarHBondContact O-CG 3.26Å; D796-E800 PolarHBondContact O-N 2.9Å; E800-L802 VanDerWaalsContact C-N 3.3Å; E800-L802 PolarHBondContact O-N 2.86Å; E800-L803 PolarHBondContact O-N 2.83Å; E800-K804 VanDerWaalsContact O-CB 3.26Å; E800-K804 WeakPolarHBondContact O-CB 3.26Å; E800-K804 PolarHBondContact O-N 3.37Å |
| 801 | S | 89.8 | Confident | 87.8 | Confident | 30 Ų | 30 | 96.8 Ų | 96.8 | 21% | 0.21 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -59.2 | -41.9 | 175.2 | 164.9 | 0 | 0 | 0 | 0 | 111.6 | E797 E798 Y799 R805 | E797-S801 WeakPolarHBondContact O-CB 3.5Å; E797-S801 PolarHBondContact O-N 2.78Å; E798-S801 WeakPolarHBondContact O-CB 3.29Å; E798-S801 PolarHBondContact O-N 3.08Å; Y799-S801 VanDerWaalsContact C-N 3.33Å; Y799-S801 PolarHBondContact O-N 3.14Å; S801-R805 WeakPolarHBondContact O-CB 3.48Å; S801-R805 VanDerWaalsContact O-CG 3.25Å; S801-R805 WeakPolarHBondContact O-CG 3.33Å; S801-R805 PolarHBondContact O-N 3.29Å; S801-R805 VanDerWaalsContact O-N 3.09Å |
| 802 | L | 86.2 | Confident | 87.4 | Confident | 28 Ų | 28 | 104 Ų | 104 | 15% | 0.147 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -71 | -40.7 | 178.7 | -67.5 | 159 | 0 | 0 | 0 | 112.2 | E798 Y799 E800 R805 Q806 T807 W808 L843 | E798-L802 HydrophobicContact CG-CD1 3.9Å; E798-L802 WeakPolarHBondContact O-CD1 3.4Å; E798-L802 WeakPolarHBondContact O-CG 3.25Å; E798-L802 PolarHBondContact O-N 2.84Å; Y799-L802 PolarHBondContact O-N 3.14Å; E800-L802 VanDerWaalsContact C-N 3.3Å; E800-L802 PolarHBondContact O-N 2.86Å; L802-R805 PolarHBondContact O-N 3.26Å; L802-Q806 PolarHBondContact O-N 3.22Å; L802-Q806 VanDerWaalsContact O-N 3.14Å; L802-T807 HydrophobicContact CD2-CG2 4.41Å; L802-T807 WeakPolarHBondContact CD2-OG1 3.47Å; L802-T807 PolarHBondContact O-N 3.32Å; L802-T807 PolarHBondContact O-OG1 3.11Å; L802-W808 HydrophobicContact CB-CE3 4.16Å; L802-W808 HydrophobicContact CB-CH2 3.29Å; L802-W808 HydrophobicContact CB-CZ2 4.37Å; L802-W808 HydrophobicContact CB-CZ3 3.19Å; L802-W808 HydrophobicContact CD1-CH2 4.06Å; L802-W808 HydrophobicContact CD1-CZ3 3.68Å; L802-W808 HydrophobicContact CD2-CZ3 4.04Å; L802-W808 HydrophobicContact CG-CH2 4.2Å; L802-W808 HydrophobicContact CG-CZ3 3.78Å; L802-L843 HydrophobicContact CD1-CB 4.31Å |
| 803 | L | 83.5 | Confident | 87 | Confident | 84 Ų | 84 | 103.1 Ų | 103.1 | 44% | 0.44 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 172.6 | -73.4 | 176.1 | 0 | 0 | 0 | 111.6 | Y799 E800 R805 Q806 W808 | Y799-L803 HydrophobicContact CD1-CD1 3.86Å; Y799-L803 HydrophobicContact CD1-CG 4.45Å; Y799-L803 HydrophobicContact CE1-CD1 3.49Å; Y799-L803 VanDerWaalsContact CE1-CD1 3.49Å; Y799-L803 HydrophobicContact CE1-CG 4.16Å; Y799-L803 WeakPolarHBondContact O-CG 3.34Å; Y799-L803 PolarHBondContact O-N 2.96Å; E800-L803 PolarHBondContact O-N 2.83Å; L803-R805 VanDerWaalsContact C-N 3.28Å; L803-R805 PolarHBondContact O-N 3.3Å; L803-Q806 PolarHBondContact O-N 2.94Å; L803-Q806 VanDerWaalsContact O-N 3.12Å; L803-W808 HydrophobicContact CD2-CZ2 3.88Å; L803-W808 HydrophobicContact CG-CZ2 4.35Å |
| 804 | K | 84.4 | Confident | 86.5 | Confident | 187 Ų | 187 | 100.3 Ų | 100.3 | 81% | 0.813 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.6 | -35.7 | 179 | -177.6 | 175.3 | -178.7 | 174.1 | 0 | 112.6 | E800 Q806 | E800-K804 VanDerWaalsContact O-CB 3.26Å; E800-K804 WeakPolarHBondContact O-CB 3.26Å; E800-K804 PolarHBondContact O-N 3.37Å; K804-Q806 VanDerWaalsContact C-N 3.31Å |
| 805 | R | 85.5 | Confident | 85.4 | Confident | 179 Ų | 179 | 109 Ų | 109 | 68% | 0.675 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -83.7 | -6.2 | 179.3 | -70.9 | 174.6 | -176.7 | -176.1 | 3.8 | 113.4 | S801 L802 L803 T807 | S801-R805 WeakPolarHBondContact O-CB 3.48Å; S801-R805 VanDerWaalsContact O-CG 3.25Å; S801-R805 WeakPolarHBondContact O-CG 3.33Å; S801-R805 PolarHBondContact O-N 3.29Å; S801-R805 VanDerWaalsContact O-N 3.09Å; L802-R805 PolarHBondContact O-N 3.26Å; L803-R805 VanDerWaalsContact C-N 3.28Å; L803-R805 PolarHBondContact O-N 3.3Å; R805-T807 HydrophobicContact CB-CG2 3.66Å; R805-T807 PolarHBondContact O-N 3.24Å |
| 806 | Q | 80.8 | Confident | 84.6 | Confident | 172 Ų | 172 | 118.1 Ų | 118.1 | 80% | 0.804 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.8 | 44.9 | -177.9 | -59.2 | -177.3 | -45.1 | 0 | 0 | 112 | L802 L803 K804 W808 | L802-Q806 PolarHBondContact O-N 3.22Å; L802-Q806 VanDerWaalsContact O-N 3.14Å; L803-Q806 PolarHBondContact O-N 2.94Å; L803-Q806 VanDerWaalsContact O-N 3.12Å; K804-Q806 VanDerWaalsContact C-N 3.31Å; Q806-W808 VanDerWaalsContact C-N 3.29Å; Q806-W808 PolarHBondContact O-N 3.35Å |
| 807 | T | 76.9 | Confident | 83.7 | Confident | 79 Ų | 79 | 116.7 Ų | 116.7 | 49% | 0.485 | 57% | 0.573 | S | S | . | * | trans | -75.5 | -13 | -171.5 | 45.9 | 0 | 0 | 0 | 0 | 114.8 | L802 R805 | L802-T807 HydrophobicContact CD2-CG2 4.41Å; L802-T807 WeakPolarHBondContact CD2-OG1 3.47Å; L802-T807 PolarHBondContact O-N 3.32Å; L802-T807 PolarHBondContact O-OG1 3.11Å; R805-T807 HydrophobicContact CB-CG2 3.66Å; R805-T807 PolarHBondContact O-N 3.24Å | ||
| 808 | W | 79.7 | Confident | 83 | Confident | 112 Ų | 112 | 117.4 Ų | 117.4 | 42% | 0.424 | 59% | 0.587 | S | S | . | * | trans | -137 | 159.2 | 178 | 61.8 | 73.7 | 0 | 0 | 0 | 111.1 | Y799 L802 L803 Q806 | Y799-W808 HydrophobicContact CD2-CH2 4.11Å; Y799-W808 HydrophobicContact CD2-CZ2 4.46Å; Y799-W808 HydrophobicContact CE2-CH2 4.04Å; Y799-W808 AromaticContact CE2-CZ2 3.95Å; Y799-W808 HydrophobicContact CE2-CZ2 3.95Å; L802-W808 HydrophobicContact CB-CE3 4.16Å; L802-W808 HydrophobicContact CB-CH2 3.29Å; L802-W808 HydrophobicContact CB-CZ2 4.37Å; L802-W808 HydrophobicContact CB-CZ3 3.19Å; L802-W808 HydrophobicContact CD1-CH2 4.06Å; L802-W808 HydrophobicContact CD1-CZ3 3.68Å; L802-W808 HydrophobicContact CD2-CZ3 4.04Å; L802-W808 HydrophobicContact CG-CH2 4.2Å; L802-W808 HydrophobicContact CG-CZ3 3.78Å; L803-W808 HydrophobicContact CD2-CZ2 3.88Å; L803-W808 HydrophobicContact CG-CZ2 4.35Å; Q806-W808 VanDerWaalsContact C-N 3.29Å; Q806-W808 PolarHBondContact O-N 3.35Å | ||
| 809 | V | 79.7 | Confident | 82.3 | Confident | 121 Ų | 121 | 124 Ų | 124 | 73% | 0.733 | 61% | 0.611 | S | S | * | * | trans | -122.8 | 132.4 | 169.2 | -179.1 | 0 | 0 | 0 | 0 | 106.6 | V811 | V809-V811 HydrophobicContact CG1-CG1 4.27Å; V809-V811 PolarHBondContact O-N 3.48Å | ||
| 810 | E | 82.8 | Confident | 81.9 | Confident | 188 Ų | 188 | 122.3 Ų | 122.3 | 88% | 0.879 | 61% | 0.609 | S | S | * | * | trans | -69.9 | 126.1 | 172.8 | -169 | 170.7 | -172.8 | 0 | 0 | 108.8 | ||||
| 811 | V | 85.1 | Confident | 81.6 | Confident | 114 Ų | 114 | 117.1 Ų | 117.1 | 69% | 0.691 | 59% | 0.591 | S | S | * | * | trans | -135.8 | 142.8 | -177 | -66.4 | 0 | 0 | 0 | 0 | 109.2 | V809 | V809-V811 HydrophobicContact CG1-CG1 4.27Å; V809-V811 PolarHBondContact O-N 3.48Å | ||
| 812 | D | 86.1 | Confident | 81.5 | Confident | 154 Ų | 154 | 119.5 Ų | 119.5 | 82% | 0.824 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 137.8 | 171.5 | -67.2 | -42.3 | 0 | 0 | 0 | 110.1 | P814 | D812-P814 WeakPolarHBondContact O-CD 3.22Š|
| 813 | L | 84.8 | Confident | 81.7 | Confident | 103 Ų | 103 | 122.8 Ų | 122.8 | 54% | 0.539 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -64 | 117.4 | 176.5 | -177.5 | 67.4 | 0 | 0 | 0 | 109.2 | A817 Y819 | L813-A817 HydrophobicContact CD1-CB 4.27Å; L813-Y819 HydrophobicContact CD1-CD1 4.38Å; L813-Y819 HydrophobicContact CD2-CD1 4.06Å |
| 814 | P | 82.2 | Confident | 82.2 | Confident | 83 Ų | 83 | 120.8 Ų | 120.8 | 54% | 0.539 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -62 | 143.8 | 179.9 | -21.4 | 32.4 | 0 | 0 | 0 | 111.6 | D812 K816 A817 | D812-P814 WeakPolarHBondContact O-CD 3.22Å; P814-K816 PolarHBondContact O-N 2.84Å; P814-K816 VanDerWaalsContact O-N 3.15Å; P814-A817 HydrophobicContact CB-CB 4.05Å; P814-A817 HydrophobicContact CG-CB 4.24Å; P814-A817 WeakPolarHBondContact O-CB 3.43Å; P814-A817 PolarHBondContact O-N 2.85Å |
| 815 | E | 71 | Confident | 82.6 | Confident | 187 Ų | 187 | 115.5 Ų | 115.5 | 87% | 0.874 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | 123.5 | 176.2 | -72.2 | -172.5 | 171.8 | 0 | 0 | 110.8 | ||
| 816 | K | 77.9 | Confident | 82.9 | Confident | 216 Ų | 216 | 107.3 Ų | 107.3 | 94% | 0.939 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.6 | 4.3 | -178.1 | -49 | 170.8 | -176.6 | 169.8 | 0 | 116.5 | P814 | P814-K816 PolarHBondContact O-N 2.84Å; P814-K816 VanDerWaalsContact O-N 3.15Å |
| 817 | A | 74 | Confident | 83.5 | Confident | 47 Ų | 47 | 107.5 Ų | 107.5 | 39% | 0.388 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -80.6 | 145.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L813 P814 | L813-A817 HydrophobicContact CD1-CB 4.27Å; P814-A817 HydrophobicContact CB-CB 4.05Å; P814-A817 HydrophobicContact CG-CB 4.24Å; P814-A817 WeakPolarHBondContact O-CB 3.43Å; P814-A817 PolarHBondContact O-N 2.85Å |
| 818 | S | 77.2 | Confident | 84.1 | Confident | 98 Ų | 98 | 105.4 Ų | 105.4 | 69% | 0.685 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -100.8 | 134.9 | 168.6 | 53.9 | 0 | 0 | 0 | 0 | 110.1 | ||
| 819 | Y | 79.6 | Confident | 84.4 | Confident | 183 Ų | 183 | 104.9 Ų | 104.9 | 72% | 0.718 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -93.5 | 155.4 | 175.8 | 66.7 | -85.6 | 0 | 0 | 0 | 111.7 | L813 | L813-Y819 HydrophobicContact CD1-CD1 4.38Å; L813-Y819 HydrophobicContact CD2-CD1 4.06Å |
| 820 | I | 83 | Confident | 84.7 | Confident | 74 Ų | 74 | 103.4 Ų | 103.4 | 38% | 0.379 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -97.6 | 125 | 172.3 | -59.8 | 172 | 0 | 0 | 0 | 107.6 | A845 Q846 Q850 | I820-A845 HydrophobicContact CG2-CB 4.33Å; I820-Q846 HydrophobicContact CG2-CB 4.35Å; I820-Q846 WeakPolarHBondContact CG2-O 3.38Å; I820-Q850 HydrophobicContact CD1-CG 3.59Å |
| 821 | G | 84.1 | Confident | 84.3 | Confident | 21 Ų | 21 | 97.3 Ų | 97.3 | 22% | 0.216 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 163.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q846 | G821-Q846 WeakPolarHBondContact O-CB 3.41Å; G821-Q846 WeakPolarHBondContact O-CG 3.34Å; G821-Q846 PolarHBondContact O-N 3.38Å |
| 822 | S | 87.6 | Confident | 83.7 | Confident | 80 Ų | 80 | 98.1 Ų | 98.1 | 56% | 0.559 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 155.1 | 173.8 | 59.9 | 0 | 0 | 0 | 0 | 111.1 | V844 | S822-V844 CarbonylContact C-O 3.6Å; S822-V844 VanDerWaalsContact CA-O 3.29Å; S822-V844 WeakPolarHBondContact CA-O 3.14Å |
| 823 | K | 90.2 | Very high | 83.1 | Confident | 97 Ų | 97 | 95.5 Ų | 95.5 | 42% | 0.422 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 144.4 | 177.8 | -177.4 | 179 | 175.6 | -175.4 | 0 | 109.9 | G777 V844 Q846 | G777-K823 VanDerWaalsContact O-CE 3.23Å; G777-K823 WeakPolarHBondContact O-CE 3.49Å; G777-K823 PolarHBondContact O-NZ 3.1Å; K823-V844 PolarHBondContact N-O 3.14Å; K823-V844 WeakPolarHBondContact O-CG2 3.37Å; K823-V844 PolarHBondContact O-N 3.48Å; K823-Q846 HydrophobicContact CB-CG 4.19Å |
| 824 | W | 93.3 | Very high | 82.6 | Confident | 42 Ų | 42 | 91.7 Ų | 91.7 | 16% | 0.159 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 136.6 | 168.9 | -73.5 | 97 | 0 | 0 | 0 | 111.7 | V779 M795 E798 F826 A841 R842 L843 | V779-W824 HydrophobicContact CG2-CB 3.66Å; V779-W824 HydrophobicContact CG2-CG 3.85Å; M795-W824 HydrophobicContact CB-CE3 4.43Å; M795-W824 HydrophobicContact CB-CH2 3.91Å; M795-W824 HydrophobicContact CB-CZ2 4.28Å; M795-W824 HydrophobicContact CB-CZ3 4Å; M795-W824 HydrophobicContact CE-CD2 3.8Å; M795-W824 HydrophobicContact CE-CE3 4.46Å; M795-W824 HydrophobicContact CE-CG 3.95Å; M795-W824 HydrophobicContact CE-CZ2 4.1Å; M795-W824 HydrophobicContact CG-CD2 4.2Å; M795-W824 HydrophobicContact CG-CE3 3.91Å; M795-W824 HydrophobicContact CG-CH2 4.29Å; M795-W824 HydrophobicContact CG-CZ3 3.96Å; M795-W824 WeakPolarHBondContact O-CH2 2.91Å; E798-W824 HydrophobicContact CB-CH2 4.3Å; E798-W824 HydrophobicContact CB-CZ3 4.08Å; E798-W824 HydrophobicContact CG-CH2 4.35Å; E798-W824 HydrophobicContact CG-CZ3 4.06Å; W824-F826 HydrophobicContact CB-CE2 3.86Å; W824-F826 HydrophobicContact CB-CZ 3.77Å; W824-F826 HydrophobicContact CG-CZ 4.47Å; W824-A841 HydrophobicContact CE3-CB 3.9Å; W824-A841 HydrophobicContact CZ3-CB 3.88Å; W824-R842 WeakPolarHBondContact CA-O 3.49Å; W824-L843 HydrophobicContact CD2-CB 4.41Å; W824-L843 HydrophobicContact CD2-CD1 4.09Å; W824-L843 HydrophobicContact CE3-CB 4.28Å; W824-L843 HydrophobicContact CG-CD1 4.26Å; W824-L843 HydrophobicContact CH2-CB 4.15Å; W824-L843 HydrophobicContact CZ2-CB 4.27Å; W824-L843 HydrophobicContact CZ2-CD1 4.29Å; W824-L843 HydrophobicContact CZ3-CB 4.14Å |
| 825 | V | 92.7 | Very high | 82.5 | Confident | 75 Ų | 75 | 90.9 Ų | 90.9 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132.7 | 172.6 | 178.3 | 0 | 0 | 0 | 0 | 109 | A841 R842 V844 | V825-A841 CarbonylContact O-C 3.43Å; V825-A841 WeakPolarHBondContact O-CA 3.31Å; V825-R842 PolarHBondContact N-O 3.45Å; V825-R842 PolarHBondContact O-N 2.59Å; V825-V844 HydrophobicContact CB-CG2 4.35Å; V825-V844 HydrophobicContact CG2-CG2 3.46Å; V825-V844 VanDerWaalsContact CG2-CG2 3.46Å |
| 826 | F | 93.1 | Very high | 83.1 | Confident | 8 Ų | 8 | 84.9 Ų | 84.9 | 4% | 0.035 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 140.4 | -175 | -58.3 | -80.5 | 0 | 0 | 0 | 110.4 | P776 V779 A782 W791 M795 W824 A841 | P776-F826 HydrophobicContact CG-CB 3.78Å; P776-F826 HydrophobicContact CG-CD2 4.16Å; P776-F826 HydrophobicContact CG-CG 3.98Å; P776-F826 WeakPolarHBondContact O-CD2 3.45Å; V779-F826 HydrophobicContact CG2-CE2 4.29Å; V779-F826 HydrophobicContact CG2-CZ 4.15Å; A782-F826 HydrophobicContact CB-CD1 4.2Å; A782-F826 HydrophobicContact CB-CD2 4.05Å; A782-F826 HydrophobicContact CB-CE1 3.9Å; A782-F826 HydrophobicContact CB-CE2 3.76Å; A782-F826 HydrophobicContact CB-CG 4.27Å; A782-F826 HydrophobicContact CB-CZ 3.66Å; W791-F826 HydrophobicContact CB-CD1 4.45Å; W791-F826 HydrophobicContact CB-CE1 4.42Å; W791-F826 HydrophobicContact CD2-CB 4.44Å; W791-F826 HydrophobicContact CD2-CD1 4.05Å; W791-F826 HydrophobicContact CE3-CB 3.91Å; W791-F826 AromaticContact CE3-CD1 3.56Å; W791-F826 HydrophobicContact CE3-CD1 3.56Å; W791-F826 HydrophobicContact CE3-CG 4.15Å; W791-F826 HydrophobicContact CG-CD1 4.46Å; W791-F826 HydrophobicContact CH2-CB 3.89Å; W791-F826 HydrophobicContact CZ2-CB 4.45Å; W791-F826 HydrophobicContact CZ3-CB 3.63Å; W791-F826 HydrophobicContact CZ3-CD1 4.11Å; W791-F826 HydrophobicContact CZ3-CG 4.35Å; M795-F826 HydrophobicContact CG-CE1 3.68Å; M795-F826 HydrophobicContact CG-CZ 4.27Å; M795-F826 HydrophobicContact SD-CE1 3.64Å; M795-F826 HydrophobicContact SD-CZ 3.76Å; W824-F826 HydrophobicContact CB-CE2 3.86Å; W824-F826 HydrophobicContact CB-CZ 3.77Å; W824-F826 HydrophobicContact CG-CZ 4.47Å; F826-A841 HydrophobicContact CD1-CB 3.92Å; F826-A841 HydrophobicContact CE1-CB 4Å |
| 827 | R | 92.4 | Very high | 83.5 | Confident | 175 Ų | 175 | 81.2 Ų | 81.2 | 66% | 0.66 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 131.2 | 175.1 | -159.1 | 81 | -168.2 | -158.9 | 1.2 | 111.1 | D775 K840 | D775-R827 WeakPolarHBondContact OD2-CA 3.14Å; D775-R827 VanDerWaalsContact OD2-CD 3.26Å; D775-R827 WeakPolarHBondContact OD2-CD 3.19Å; D775-R827 IonicContact OD2-NE 3.54Å; D775-R827 PolarHBondContact OD2-NE 2.92Å; R827-K840 PolarHBondContact N-O 3.48Å; R827-K840 WeakPolarHBondContact O-CB 3.37Å; R827-K840 PolarHBondContact O-N 3.45Å |
| 828 | R | 89.4 | Confident | 84.2 | Confident | 36 Ų | 36 | 85.7 Ų | 85.7 | 14% | 0.136 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 132.5 | 165.5 | -82 | 168.3 | -67.2 | -167.1 | 0.6 | 109.7 | L773 A774 D775 W791 L830 V836 Y839 | L773-R828 PolarHBondContact O-NH2 3.01Å; A774-R828 PolarHBondContact O-NH2 3.28Å; A774-R828 VanDerWaalsContact O-NH2 3.08Å; D775-R828 IonicContact OD1-CZ 3.53Å; D775-R828 PolarHBondContact OD1-N 2.91Å; D775-R828 IonicContact OD1-NE 2.83Å; D775-R828 PolarHBondContact OD1-NE 2.98Å; D775-R828 IonicContact OD1-NH2 3.39Å; D775-R828 PolarHBondContact OD1-NH2 3.43Å; D775-R828 PolarHBondContact OD2-N 3.2Å; W791-R828 HydrophobicContact CH2-CG 3.77Å; W791-R828 HydrophobicContact CZ2-CG 3.9Å; R828-L830 HydrophobicContact CB-CD2 4.4Å; R828-V836 HydrophobicContact CB-CG1 4.24Å; R828-V836 HydrophobicContact CG-CG1 3.89Å; R828-V836 HydrophobicContact CG-CG2 4.37Å; R828-Y839 HydrophobicContact CG-CD1 3.69Å; R828-Y839 HydrophobicContact CG-CE1 3.5Å; R828-Y839 VanDerWaalsContact CG-CE1 3.5Å; R828-Y839 HydrophobicContact CG-CG 4.48Å |
| 829 | K | 86.8 | Confident | 84.9 | Confident | 100 Ų | 100 | 82.7 Ų | 82.7 | 44% | 0.435 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 124.6 | 164.8 | -72.3 | -169.3 | 156.8 | -147.8 | 0 | 108 | V836 E837 R838 | K829-V836 CarbonylContact O-C 3.59Å; K829-E837 PolarHBondContact O-N 2.71Å; K829-R838 HydrophobicContact CB-CB 4.27Å; K829-R838 WeakPolarHBondContact CB-O 3.49Å; K829-R838 PolarHBondContact N-O 3.41Å; K829-R838 PolarHBondContact O-N 2.77Å |
| 830 | L | 84.6 | Confident | 85.5 | Confident | 90 Ų | 90 | 77.2 Ų | 77.2 | 47% | 0.471 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 144.6 | 176.3 | -52.2 | 179.7 | 0 | 0 | 0 | 108.8 | R828 S835 V836 | R828-L830 HydrophobicContact CB-CD2 4.4Å; L830-S835 CarbonylContact C-O 3.54Å; L830-S835 VanDerWaalsContact CA-O 3.25Å; L830-S835 WeakPolarHBondContact CA-O 3.21Å; L830-V836 HydrophobicContact CD2-CB 4.41Å; L830-V836 HydrophobicContact CD2-CG2 3.82Å |
| 831 | D | 75.9 | Confident | 86 | Confident | 60 Ų | 60 | 73.8 Ų | 73.8 | 32% | 0.321 | 39% | 0.386 | S | S | . | . | trans | -77.4 | -179.8 | 169.6 | 66.8 | 17.4 | 0 | 0 | 0 | 111.2 | T833 G834 S835 E837 | D831-T833 VanDerWaalsContact CG-OG1 3.26Å; D831-T833 PolarHBondContact O-N 3.15Å; D831-T833 VanDerWaalsContact O-N 3.1Å; D831-T833 VanDerWaalsContact OD1-CA 3.29Å; D831-T833 WeakPolarHBondContact OD1-CA 3.21Å; D831-T833 WeakPolarHBondContact OD1-CB 3.16Å; D831-T833 PolarHBondContact OD1-N 3.22Å; D831-T833 PolarHBondContact OD1-OG1 2.87Å; D831-T833 PolarHBondContact OD2-OG1 2.77Å; D831-G834 PolarHBondContact O-N 3.06Å; D831-G834 PolarHBondContact OD1-N 2.73Å; D831-S835 PolarHBondContact N-O 3.46Å; D831-S835 PolarHBondContact OD1-N 3.39Å; D831-S835 WeakPolarHBondContact OD2-CB 3.42Å; D831-E837 HydrophobicContact CB-CB 4.18Å | ||
| 832 | S | 72.8 | Confident | 86.4 | Confident | 131 Ų | 131 | 79 Ų | 79 | 92% | 0.916 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -12.8 | 177.6 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 833 | T | 72.6 | Confident | 86.5 | Confident | 99 Ų | 99 | 77.7 Ų | 77.7 | 61% | 0.607 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -5.6 | 176.9 | 74.2 | 0 | 0 | 0 | 0 | 112.5 | D831 S835 | D831-T833 VanDerWaalsContact CG-OG1 3.26Å; D831-T833 PolarHBondContact O-N 3.15Å; D831-T833 VanDerWaalsContact O-N 3.1Å; D831-T833 VanDerWaalsContact OD1-CA 3.29Å; D831-T833 WeakPolarHBondContact OD1-CA 3.21Å; D831-T833 WeakPolarHBondContact OD1-CB 3.16Å; D831-T833 PolarHBondContact OD1-N 3.22Å; D831-T833 PolarHBondContact OD1-OG1 2.87Å; D831-T833 PolarHBondContact OD2-OG1 2.77Å; T833-S835 VanDerWaalsContact C-N 3.32Å; T833-S835 PolarHBondContact OG1-OG 2.83Å; T833-S835 VanDerWaalsContact OG1-OG 3.11Å |
| 834 | G | 73.4 | Confident | 86.4 | Confident | 24 Ų | 24 | 76 Ų | 76 | 25% | 0.247 | 38% | 0.383 | C | S | . | . | S | Bend | trans | 84.2 | 3.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | D831 | D831-G834 PolarHBondContact O-N 3.06Å; D831-G834 PolarHBondContact OD1-N 2.73Å |
| 835 | S | 80.6 | Confident | 86 | Confident | 66 Ų | 66 | 77.7 Ų | 77.7 | 46% | 0.462 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -80.4 | 149.7 | 176.1 | -57.2 | 0 | 0 | 0 | 0 | 110.4 | L830 D831 T833 E837 | L830-S835 CarbonylContact C-O 3.54Å; L830-S835 VanDerWaalsContact CA-O 3.25Å; L830-S835 WeakPolarHBondContact CA-O 3.21Å; D831-S835 PolarHBondContact N-O 3.46Å; D831-S835 PolarHBondContact OD1-N 3.39Å; D831-S835 WeakPolarHBondContact OD2-CB 3.42Å; T833-S835 VanDerWaalsContact C-N 3.32Å; T833-S835 PolarHBondContact OG1-OG 2.83Å; T833-S835 VanDerWaalsContact OG1-OG 3.11Å; S835-E837 PolarHBondContact O-N 3.05Å |
| 836 | V | 84.4 | Confident | 85.5 | Confident | 61 Ų | 61 | 77.2 Ų | 77.2 | 37% | 0.37 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 103.3 | -178.7 | -175 | 0 | 0 | 0 | 0 | 110.3 | R828 K829 L830 Y839 | R828-V836 HydrophobicContact CB-CG1 4.24Å; R828-V836 HydrophobicContact CG-CG1 3.89Å; R828-V836 HydrophobicContact CG-CG2 4.37Å; K829-V836 CarbonylContact O-C 3.59Å; L830-V836 HydrophobicContact CD2-CB 4.41Å; L830-V836 HydrophobicContact CD2-CG2 3.82Å; V836-Y839 HydrophobicContact CB-CE2 4.42Å; V836-Y839 HydrophobicContact CG1-CD2 3.93Å; V836-Y839 HydrophobicContact CG1-CE1 4.4Å; V836-Y839 HydrophobicContact CG1-CE2 3.52Å |
| 837 | E | 85.2 | Confident | 84.5 | Confident | 138 Ų | 138 | 78.3 Ų | 78.3 | 65% | 0.645 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | -44 | 174.9 | -170.2 | -164.7 | -176 | 0 | 0 | 110.9 | K829 D831 S835 | K829-E837 PolarHBondContact O-N 2.71Å; D831-E837 HydrophobicContact CB-CB 4.18Å; S835-E837 PolarHBondContact O-N 3.05Å |
| 838 | R | 88.8 | Confident | 83.5 | Confident | 142 Ų | 142 | 77.9 Ų | 77.9 | 54% | 0.536 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 139.9 | -174.8 | -159.2 | 178.1 | -163.1 | 153.1 | 4.7 | 113.3 | E797 K829 | E797-R838 IonicContact OE2-NH2 3.29Å; E797-R838 PolarHBondContact OE2-NH2 3.14Å; K829-R838 HydrophobicContact CB-CB 4.27Å; K829-R838 WeakPolarHBondContact CB-O 3.49Å; K829-R838 PolarHBondContact N-O 3.41Å; K829-R838 PolarHBondContact O-N 2.77Å |
| 839 | Y | 91.6 | Very high | 82.6 | Confident | 35 Ų | 35 | 78.5 Ų | 78.5 | 14% | 0.137 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 131.2 | 166.3 | -68.5 | -95.3 | 0 | 0 | 0 | 109.8 | D787 N790 W791 A794 R828 V836 | D787-Y839 HydrophobicContact CB-CE1 3.83Å; D787-Y839 PolarHBondContact OD1-OH 2.85Å; D787-Y839 PolarHBondContact OD2-OH 2.96Å; N790-Y839 HydrophobicContact CB-CD1 4.06Å; N790-Y839 HydrophobicContact CB-CD2 3.48Å; N790-Y839 VanDerWaalsContact CB-CD2 3.48Å; N790-Y839 HydrophobicContact CB-CE1 4.26Å; N790-Y839 HydrophobicContact CB-CE2 3.69Å; N790-Y839 HydrophobicContact CB-CG 3.68Å; W791-Y839 AromaticContact CD2-CD1 3.69Å; W791-Y839 HydrophobicContact CD2-CD1 3.69Å; W791-Y839 HydrophobicContact CD2-CE1 4.36Å; W791-Y839 AromaticContact CE2-CD1 3.56Å; W791-Y839 AromaticContact CE2-CE1 3.82Å; W791-Y839 AromaticContact CE3-CD1 3.74Å; W791-Y839 HydrophobicContact CE3-CD1 3.74Å; W791-Y839 HydrophobicContact CE3-CG 4.4Å; W791-Y839 HydrophobicContact CG-CD1 4.47Å; W791-Y839 AromaticContact CH2-CD1 3.65Å; W791-Y839 HydrophobicContact CH2-CD1 3.65Å; W791-Y839 HydrophobicContact CH2-CE1 4.28Å; W791-Y839 AromaticContact CZ2-CD1 3.56Å; W791-Y839 HydrophobicContact CZ2-CD1 3.56Å; W791-Y839 AromaticContact CZ2-CE1 3.79Å; W791-Y839 HydrophobicContact CZ2-CE1 3.79Å; W791-Y839 AromaticContact CZ3-CD1 3.72Å; W791-Y839 HydrophobicContact CZ3-CD1 3.72Å; W791-Y839 HydrophobicContact CZ3-CG 4.42Å; A794-Y839 WeakPolarHBondContact CB-O 3.39Å; R828-Y839 HydrophobicContact CG-CD1 3.69Å; R828-Y839 HydrophobicContact CG-CE1 3.5Å; R828-Y839 VanDerWaalsContact CG-CE1 3.5Å; R828-Y839 HydrophobicContact CG-CG 4.48Å; V836-Y839 HydrophobicContact CB-CE2 4.42Å; V836-Y839 HydrophobicContact CG1-CD2 3.93Å; V836-Y839 HydrophobicContact CG1-CE1 4.4Å; V836-Y839 HydrophobicContact CG1-CE2 3.52Å |
| 840 | K | 92.5 | Very high | 81.9 | Confident | 67 Ų | 67 | 76.2 Ų | 76.2 | 29% | 0.291 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 121.7 | -179.9 | -168.6 | 172.8 | -173.7 | 175.9 | 0 | 110.5 | R827 | R827-K840 PolarHBondContact N-O 3.48Å; R827-K840 WeakPolarHBondContact O-CB 3.37Å; R827-K840 PolarHBondContact O-N 3.45Å |
| 841 | A | 93.8 | Very high | 81.1 | Confident | 3 Ų | 3 | 78.4 Ų | 78.4 | 3% | 0.025 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 147.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | A794 M795 W824 V825 F826 | A794-A841 HydrophobicContact CB-CB 4.02Å; M795-A841 HydrophobicContact CB-CB 4.38Å; M795-A841 HydrophobicContact CG-CB 3.71Å; W824-A841 HydrophobicContact CE3-CB 3.9Å; W824-A841 HydrophobicContact CZ3-CB 3.88Å; V825-A841 CarbonylContact O-C 3.43Å; V825-A841 WeakPolarHBondContact O-CA 3.31Å; F826-A841 HydrophobicContact CD1-CB 3.92Å; F826-A841 HydrophobicContact CE1-CB 4Å |
| 842 | R | 92.4 | Very high | 80.5 | Confident | 129 Ų | 129 | 79.5 Ų | 79.5 | 49% | 0.487 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 136.9 | 173.1 | -71.7 | -174.9 | 179 | -123.2 | 7.8 | 109.9 | W824 V825 | W824-R842 WeakPolarHBondContact CA-O 3.49Å; V825-R842 PolarHBondContact N-O 3.45Å; V825-R842 PolarHBondContact O-N 2.59Å |
| 843 | L | 90.7 | Very high | 79.9 | Confident | 53 Ų | 53 | 76.5 Ų | 76.5 | 28% | 0.277 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 116 | 169.9 | -174.2 | 63.6 | 0 | 0 | 0 | 109.1 | L802 W824 | L802-L843 HydrophobicContact CD1-CB 4.31Å; W824-L843 HydrophobicContact CD2-CB 4.41Å; W824-L843 HydrophobicContact CD2-CD1 4.09Å; W824-L843 HydrophobicContact CE3-CB 4.28Å; W824-L843 HydrophobicContact CG-CD1 4.26Å; W824-L843 HydrophobicContact CH2-CB 4.15Å; W824-L843 HydrophobicContact CZ2-CB 4.27Å; W824-L843 HydrophobicContact CZ2-CD1 4.29Å; W824-L843 HydrophobicContact CZ3-CB 4.14Å |
| 844 | V | 88.2 | Confident | 79.6 | Confident | 62 Ų | 62 | 77.5 Ų | 77.5 | 38% | 0.376 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 142.3 | -176.3 | -80.3 | 0 | 0 | 0 | 0 | 111.9 | S822 K823 V825 | S822-V844 CarbonylContact C-O 3.6Å; S822-V844 VanDerWaalsContact CA-O 3.29Å; S822-V844 WeakPolarHBondContact CA-O 3.14Å; K823-V844 PolarHBondContact N-O 3.14Å; K823-V844 WeakPolarHBondContact O-CG2 3.37Å; K823-V844 PolarHBondContact O-N 3.48Å; V825-V844 HydrophobicContact CB-CG2 4.35Å; V825-V844 HydrophobicContact CG2-CG2 3.46Å; V825-V844 VanDerWaalsContact CG2-CG2 3.46Å |
| 845 | A | 83.5 | Confident | 78.9 | Confident | 77 Ų | 77 | 78.8 Ų | 78.8 | 64% | 0.636 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 141.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I820 G847 | I820-A845 HydrophobicContact CG2-CB 4.33Å; A845-G847 VanDerWaalsContact C-N 3.26Å; A845-G847 PolarHBondContact O-N 3.44Å |
| 846 | Q | 82.4 | Confident | 77.9 | Confident | 65 Ų | 65 | 81.3 Ų | 81.3 | 30% | 0.304 | 44% | 0.439 | S | S | . | . | trans | -78.6 | 70.4 | 178.1 | -68.1 | -178.6 | -47.3 | 0 | 0 | 111.1 | I820 G821 K823 F848 G849 | I820-Q846 HydrophobicContact CG2-CB 4.35Å; I820-Q846 WeakPolarHBondContact CG2-O 3.38Å; G821-Q846 WeakPolarHBondContact O-CB 3.41Å; G821-Q846 WeakPolarHBondContact O-CG 3.34Å; G821-Q846 PolarHBondContact O-N 3.38Å; K823-Q846 HydrophobicContact CB-CG 4.19Å; Q846-F848 HydrophobicContact CB-CD1 4.33Å; Q846-F848 HydrophobicContact CB-CE1 3.73Å; Q846-F848 HydrophobicContact CB-CE2 4.33Å; Q846-F848 HydrophobicContact CB-CZ 3.72Å; Q846-F848 HydrophobicContact CG-CE1 3.96Å; Q846-F848 HydrophobicContact CG-CZ 3.91Å; Q846-F848 PolarHBondContact O-N 2.68Å; Q846-G849 PolarHBondContact O-N 2.98Å | ||
| 847 | G | 72.1 | Confident | 76.7 | Confident | 32 Ų | 32 | 83.1 Ų | 83.1 | 33% | 0.33 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -54.8 | -23.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A845 G849 Q850 | A845-G847 VanDerWaalsContact C-N 3.26Å; A845-G847 PolarHBondContact O-N 3.44Å; G847-G849 PolarHBondContact O-N 3.11Å; G847-G849 VanDerWaalsContact O-N 3.12Å; G847-Q850 VanDerWaalsContact O-CB 3.31Å; G847-Q850 WeakPolarHBondContact O-CB 3.13Å; G847-Q850 VanDerWaalsContact O-CG 3.29Å; G847-Q850 WeakPolarHBondContact O-CG 3.44Å; G847-Q850 PolarHBondContact O-N 3.34Å; G847-Q850 VanDerWaalsContact O-N 3.11Å; G847-Q850 PolarHBondContact O-OE1 3.41Å |
| 848 | F | 71.9 | Confident | 75.3 | Confident | 166 Ų | 166 | 85.1 Ų | 85.1 | 73% | 0.728 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -63.4 | -14.3 | 174.2 | 61.3 | -101.6 | 0 | 0 | 0 | 114.2 | Q846 Q850 | Q846-F848 HydrophobicContact CB-CD1 4.33Å; Q846-F848 HydrophobicContact CB-CE1 3.73Å; Q846-F848 HydrophobicContact CB-CE2 4.33Å; Q846-F848 HydrophobicContact CB-CZ 3.72Å; Q846-F848 HydrophobicContact CG-CE1 3.96Å; Q846-F848 HydrophobicContact CG-CZ 3.91Å; Q846-F848 PolarHBondContact O-N 2.68Å; F848-Q850 PolarHBondContact O-N 2.54Å |
| 849 | G | 70.8 | Confident | 73.6 | Confident | 48 Ų | 48 | 81.2 Ų | 81.2 | 50% | 0.495 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -72.7 | -11 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q846 G847 | Q846-G849 PolarHBondContact O-N 2.98Å; G847-G849 PolarHBondContact O-N 3.11Å; G847-G849 VanDerWaalsContact O-N 3.12Å |
| 850 | Q | 71.5 | Confident | 71.9 | Confident | 52 Ų | 52 | 88.4 Ų | 88.4 | 24% | 0.243 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 145.4 | -178.4 | -67.7 | -179.5 | -42.4 | 0 | 0 | 112.3 | I820 G847 F848 D855 Y856 | I820-Q850 HydrophobicContact CD1-CG 3.59Å; G847-Q850 VanDerWaalsContact O-CB 3.31Å; G847-Q850 WeakPolarHBondContact O-CB 3.13Å; G847-Q850 VanDerWaalsContact O-CG 3.29Å; G847-Q850 WeakPolarHBondContact O-CG 3.44Å; G847-Q850 PolarHBondContact O-N 3.34Å; G847-Q850 VanDerWaalsContact O-N 3.11Å; G847-Q850 PolarHBondContact O-OE1 3.41Å; F848-Q850 PolarHBondContact O-N 2.54Å; Q850-D855 HydrophobicContact CB-CB 3.99Å; Q850-D855 HydrophobicContact CG-CB 4.12Å; Q850-Y856 HydrophobicContact CB-CD2 4.13Å; Q850-Y856 HydrophobicContact CB-CE2 3.68Å; Q850-Y856 WeakPolarHBondContact O-CE2 3.35Å |
| 851 | K | 67.8 | Low | 70.4 | Confident | 136 Ų | 136 | 89.4 Ų | 89.4 | 59% | 0.591 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -103.4 | 122.6 | 177.2 | -70.2 | 178.3 | -176.1 | 169 | 0 | 112.2 | G853 I854 D855 Y856 | K851-G853 PolarHBondContact O-N 3.31Å; K851-I854 HydrophobicContact CB-CB 4.35Å; K851-I854 HydrophobicContact CB-CD1 4.28Å; K851-I854 HydrophobicContact CD-CD1 4.29Å; K851-I854 PolarHBondContact O-N 2.84Å; K851-D855 PolarHBondContact N-OD2 2.86Å; K851-D855 PolarHBondContact O-N 3.08Å; K851-Y856 VanDerWaalsContact C-CE2 3.5Å; K851-Y856 WeakPolarHBondContact O-CD2 3.42Å |
| 852 | A | 62.9 | Low | 69.3 | Low | 84 Ų | 84 | 92 Ų | 92 | 69% | 0.694 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 124.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y856 | A852-Y856 HydrophobicContact CB-CD2 4.22Å; A852-Y856 HydrophobicContact CB-CE2 4.19Å; A852-Y856 VanDerWaalsContact N-CE2 3.3Å |
| 853 | G | 62.1 | Low | 68.6 | Low | 68 Ų | 68 | 90.3 Ų | 90.3 | 70% | 0.701 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | -5.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | K851 | K851-G853 PolarHBondContact O-N 3.31Š|
| 854 | I | 64.3 | Low | 68.2 | Low | 119 Ų | 119 | 92 Ų | 92 | 61% | 0.61 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | -59.7 | 172.5 | -57.6 | 173.8 | 0 | 0 | 0 | 108.9 | K851 | K851-I854 HydrophobicContact CB-CB 4.35Å; K851-I854 HydrophobicContact CB-CD1 4.28Å; K851-I854 HydrophobicContact CD-CD1 4.29Å; K851-I854 PolarHBondContact O-N 2.84Å |
| 855 | D | 59.9 | Low | 68 | Low | 51 Ų | 51 | 93.2 Ų | 93.2 | 27% | 0.273 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -25.9 | -175.1 | -51.6 | -51.8 | 0 | 0 | 0 | 112.9 | Q850 K851 S857 E858 T859 | Q850-D855 HydrophobicContact CB-CB 3.99Å; Q850-D855 HydrophobicContact CG-CB 4.12Å; K851-D855 PolarHBondContact N-OD2 2.86Å; K851-D855 PolarHBondContact O-N 3.08Å; D855-S857 PolarHBondContact O-N 2.99Å; D855-E858 PolarHBondContact O-N 3.46Å; D855-T859 WeakPolarHBondContact O-CG2 3.28Å |
| 856 | Y | 59.9 | Low | 68.1 | Low | 119 Ų | 119 | 94.7 Ų | 94.7 | 47% | 0.467 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -70.3 | -25 | -169.4 | -81.8 | -108.3 | 0 | 0 | 0 | 114.5 | Q850 K851 A852 E858 T859 | Q850-Y856 HydrophobicContact CB-CD2 4.13Å; Q850-Y856 HydrophobicContact CB-CE2 3.68Å; Q850-Y856 WeakPolarHBondContact O-CE2 3.35Å; K851-Y856 VanDerWaalsContact C-CE2 3.5Å; K851-Y856 WeakPolarHBondContact O-CD2 3.42Å; A852-Y856 HydrophobicContact CB-CD2 4.22Å; A852-Y856 HydrophobicContact CB-CE2 4.19Å; A852-Y856 VanDerWaalsContact N-CE2 3.3Å; Y856-E858 VanDerWaalsContact C-N 3.33Å; Y856-T859 PolarHBondContact O-OG1 3.42Å |
| 857 | S | 58.7 | Low | 68.2 | Low | 99 Ų | 99 | 93 Ų | 93 | 69% | 0.692 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -79.8 | -12.5 | -177.7 | 42.9 | 0 | 0 | 0 | 0 | 114.3 | D855 | D855-S857 PolarHBondContact O-N 2.99Š|
| 858 | E | 55.9 | Low | 68.9 | Low | 181 Ų | 181 | 93.5 Ų | 93.5 | 85% | 0.846 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -111 | 27.4 | -178.5 | -65.2 | -168.9 | 170.2 | 0 | 0 | 112.9 | D855 Y856 | D855-E858 PolarHBondContact O-N 3.46Å; Y856-E858 VanDerWaalsContact C-N 3.33Å |
| 859 | T | 52.2 | Low | 69.5 | Low | 60 Ų | 60 | 87.9 Ų | 87.9 | 37% | 0.368 | 51% | 0.508 | S | S | . | . | trans | -98 | 1.6 | -167.5 | 43.6 | 0 | 0 | 0 | 0 | 117.3 | D855 Y856 | D855-T859 WeakPolarHBondContact O-CG2 3.28Å; Y856-T859 PolarHBondContact O-OG1 3.42Å | ||
| 860 | Y | 56.3 | Low | 70 | Confident | 185 Ų | 185 | 90.6 Ų | 90.6 | 73% | 0.725 | 51% | 0.508 | S | S | * | . | trans | -102.4 | 108.4 | 178.8 | -67.8 | -76.2 | 0 | 0 | 0 | 111.3 | P862 | Y860-P862 WeakPolarHBondContact O-CD 3.35Š| ||
| 861 | A | 62.1 | Low | 70.4 | Confident | 89 Ų | 89 | 90.7 Ų | 90.7 | 74% | 0.736 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 119.5 | 151.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | V863 | A861-V863 PolarHBondContact O-N 3.24Š|
| 862 | P | 69.7 | Low | 71 | Confident | 58 Ų | 58 | 84.9 Ų | 84.9 | 38% | 0.377 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 135.9 | -178.1 | 21.8 | -31.9 | 0 | 0 | 0 | 110 | Y860 V864 G902 | Y860-P862 WeakPolarHBondContact O-CD 3.35Å; P862-V864 PolarHBondContact O-N 3.37Å; P862-V864 VanDerWaalsContact O-N 3.12Å; P862-G902 WeakPolarHBondContact CA-O 3.17Å; P862-G902 WeakPolarHBondContact CB-O 3.48Å |
| 863 | V | 78.7 | Confident | 72 | Confident | 93 Ų | 93 | 82.4 Ų | 82.4 | 56% | 0.564 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 117 | 172.5 | 177.8 | 0 | 0 | 0 | 0 | 108.1 | A861 M865 T903 V904 S905 | A861-V863 PolarHBondContact O-N 3.24Å; V863-M865 PolarHBondContact O-N 3.25Å; V863-T903 PolarHBondContact N-O 2.83Å; V863-V904 CarbonylContact O-C 3.55Å; V863-V904 WeakPolarHBondContact O-CA 3.34Å; V863-V904 WeakPolarHBondContact O-CG1 3.4Å; V863-S905 PolarHBondContact O-N 3.28Å |
| 864 | V | 81.3 | Confident | 72.8 | Confident | 89 Ų | 89 | 85.7 Ų | 85.7 | 54% | 0.539 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 107.6 | 178.5 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | P862 L866 S905 A907 | P862-V864 PolarHBondContact O-N 3.37Å; P862-V864 VanDerWaalsContact O-N 3.12Å; V864-L866 HydrophobicContact CG1-CD2 4.3Å; V864-S905 CarbonylContact C-O 3.44Å; V864-S905 VanDerWaalsContact CA-O 3.31Å; V864-S905 WeakPolarHBondContact CA-O 3.45Å; V864-A907 HydrophobicContact CG1-CB 3.95Å |
| 865 | M | 84 | Confident | 73.3 | Confident | 87 Ų | 87 | 83.7 Ų | 83.7 | 43% | 0.429 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 121.6 | 169.6 | -70.3 | -166.6 | -34.4 | 0 | 0 | 110.1 | V863 V904 S905 I906 A907 | V863-M865 PolarHBondContact O-N 3.25Å; M865-V904 HydrophobicContact CB-CG1 4.16Å; M865-V904 HydrophobicContact CE-CG1 3.53Å; M865-V904 HydrophobicContact CG-CG1 3.67Å; M865-V904 HydrophobicContact SD-CG1 3.82Å; M865-S905 PolarHBondContact N-O 3.19Å; M865-I906 HydrophobicContact CE-CD1 4.14Å; M865-I906 HydrophobicContact CE-CG1 4.08Å; M865-I906 CarbonylContact O-C 3.59Å; M865-I906 WeakPolarHBondContact O-CA 3.43Å; M865-A907 PolarHBondContact O-N 3.24Å |
| 866 | L | 85.2 | Confident | 74.1 | Confident | 108 Ų | 108 | 81.5 Ų | 81.5 | 57% | 0.565 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 125.6 | 173.7 | -61 | 178.1 | 0 | 0 | 0 | 109.7 | V864 A907 V909 | V864-L866 HydrophobicContact CG1-CD2 4.3Å; L866-A907 CarbonylContact C-O 3.02Å; L866-A907 WeakPolarHBondContact CA-O 3.4Å; L866-A907 HydrophobicContact CD2-CB 4.03Å; L866-V909 HydrophobicContact CB-CB 4.02Å; L866-V909 HydrophobicContact CB-CG1 3.72Å |
| 867 | C | 85.9 | Confident | 74.8 | Confident | 28 Ų | 28 | 79.5 Ų | 79.5 | 19% | 0.189 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 136.5 | -177.8 | -176 | 0 | 0 | 0 | 0 | 111.1 | S869 I873 I906 A907 Y908 V909 | C867-S869 PolarHBondContact SG-N 3.42Å; C867-I873 HydrophobicContact CB-CD1 4.22Å; C867-I873 HydrophobicContact CB-CG1 4.09Å; C867-I906 HydrophobicContact CB-CG2 3.58Å; C867-A907 PolarHBondContact N-O 3.44Å; C867-Y908 CarbonylContact O-C 3.58Å; C867-Y908 VanDerWaalsContact O-CA 3.3Å; C867-Y908 WeakPolarHBondContact O-CA 3.49Å; C867-Y908 WeakPolarHBondContact O-CD2 3.48Å; C867-V909 PolarHBondContact O-N 3.03Å |
| 868 | D | 85.2 | Confident | 75.2 | Confident | 44 Ų | 44 | 79 Ų | 79 | 24% | 0.235 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -90.2 | -17.2 | 177.6 | 65.4 | -18.4 | 0 | 0 | 0 | 113.6 | Q870 Y908 V909 S911 K921 | D868-Q870 PolarHBondContact O-N 2.94Å; D868-Y908 WeakPolarHBondContact O-CE2 3.19Å; D868-V909 WeakPolarHBondContact CA-O 3.41Å; D868-V909 VanDerWaalsContact CB-O 3.28Å; D868-V909 WeakPolarHBondContact CB-O 3.28Å; D868-S911 WeakPolarHBondContact CB-OG 3.38Å; D868-S911 PolarHBondContact OD2-OG 3.27Å; D868-K921 IonicContact OD2-NZ 3.01Å |
| 869 | S | 85.3 | Confident | 75.3 | Confident | 47 Ų | 47 | 80.6 Ų | 80.6 | 33% | 0.329 | 43% | 0.432 | S | S | . | . | trans | -82.8 | 98 | 175.4 | -179.3 | 0 | 0 | 0 | 0 | 111.6 | C867 A871 A872 I873 | C867-S869 PolarHBondContact SG-N 3.42Å; S869-A871 PolarHBondContact O-N 3.36Å; S869-A872 WeakPolarHBondContact O-CB 3.35Å; S869-A872 PolarHBondContact O-N 3.37Å; S869-A872 WeakPolarHBondContact OG-CB 3.47Å; S869-A872 PolarHBondContact OG-N 2.68Å; S869-A872 VanDerWaalsContact OG-N 3.15Å; S869-I873 WeakPolarHBondContact O-CG1 3.23Å; S869-I873 PolarHBondContact O-N 3.07Å | ||
| 870 | Q | 82.1 | Confident | 75.4 | Confident | 106 Ų | 106 | 83.7 Ų | 83.7 | 50% | 0.495 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -57.6 | -30.3 | 172 | -63.7 | -173.3 | 12.6 | 0 | 0 | 112.7 | D868 K874 Y908 | D868-Q870 PolarHBondContact O-N 2.94Å; Q870-K874 WeakPolarHBondContact O-CB 3.48Å; Q870-K874 WeakPolarHBondContact O-CG 3.03Å; Q870-K874 PolarHBondContact O-N 3.03Å; Q870-Y908 HydrophobicContact CG-CD2 3.7Å; Q870-Y908 HydrophobicContact CG-CE2 3.55Å; Q870-Y908 HydrophobicContact CG-CG 4.49Å |
| 871 | A | 79.7 | Confident | 75.2 | Confident | 53 Ų | 53 | 81.8 Ų | 81.8 | 44% | 0.438 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.3 | -48.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S869 I873 K874 F875 | S869-A871 PolarHBondContact O-N 3.36Å; A871-I873 VanDerWaalsContact C-N 3.34Å; A871-I873 PolarHBondContact O-N 2.83Å; A871-K874 PolarHBondContact O-N 3.34Å; A871-F875 HydrophobicContact CB-CD2 4.5Å; A871-F875 WeakPolarHBondContact O-CB 3.47Å; A871-F875 WeakPolarHBondContact O-CD2 3.45Å; A871-F875 PolarHBondContact O-N 2.89Å |
| 872 | A | 79.8 | Confident | 74.8 | Confident | 14 Ų | 14 | 84 Ų | 84 | 12% | 0.116 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S869 F875 A876 Y892 | S869-A872 WeakPolarHBondContact O-CB 3.35Å; S869-A872 PolarHBondContact O-N 3.37Å; S869-A872 WeakPolarHBondContact OG-CB 3.47Å; S869-A872 PolarHBondContact OG-N 2.68Å; S869-A872 VanDerWaalsContact OG-N 3.15Å; A872-F875 PolarHBondContact O-N 2.86Å; A872-A876 WeakPolarHBondContact O-CB 3.33Å; A872-A876 PolarHBondContact O-N 2.91Å; A872-Y892 HydrophobicContact CB-CE1 4.12Å |
| 873 | I | 83 | Confident | 73.8 | Confident | 33 Ų | 33 | 85.9 Ų | 85.9 | 17% | 0.169 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 175.6 | -62.5 | 171 | 0 | 0 | 0 | 111.1 | C867 S869 A871 F875 A876 S877 I906 Y908 | C867-I873 HydrophobicContact CB-CD1 4.22Å; C867-I873 HydrophobicContact CB-CG1 4.09Å; S869-I873 WeakPolarHBondContact O-CG1 3.23Å; S869-I873 PolarHBondContact O-N 3.07Å; A871-I873 VanDerWaalsContact C-N 3.34Å; A871-I873 PolarHBondContact O-N 2.83Å; I873-F875 VanDerWaalsContact C-N 3.3Å; I873-F875 PolarHBondContact O-N 2.86Å; I873-A876 PolarHBondContact O-N 2.65Å; I873-S877 PolarHBondContact O-N 3.24Å; I873-S877 VanDerWaalsContact O-N 3.12Å; I873-S877 PolarHBondContact O-OG 3Å; I873-I906 HydrophobicContact CD1-CG2 4.47Å; I873-I906 HydrophobicContact CG1-CG2 3.74Å; I873-Y908 HydrophobicContact CD1-CD2 4.04Å; I873-Y908 HydrophobicContact CD1-CG 4.33Å |
| 874 | K | 79.6 | Confident | 72.7 | Confident | 137 Ų | 137 | 90.5 Ų | 90.5 | 60% | 0.596 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.5 | -33.4 | 176.8 | -79.7 | 178.9 | 177.3 | 174.2 | 0 | 112.8 | Q870 A871 S877 N878 | Q870-K874 WeakPolarHBondContact O-CB 3.48Å; Q870-K874 WeakPolarHBondContact O-CG 3.03Å; Q870-K874 PolarHBondContact O-N 3.03Å; A871-K874 PolarHBondContact O-N 3.34Å; K874-S877 PolarHBondContact O-OG 3.33Å; K874-N878 WeakPolarHBondContact O-CB 3.46Å; K874-N878 PolarHBondContact O-N 3.16Å; K874-N878 VanDerWaalsContact O-N 3.16Å; K874-N878 PolarHBondContact O-ND2 3.29Å |
| 875 | F | 74.4 | Confident | 71.5 | Confident | 76 Ų | 76 | 88 Ų | 88 | 33% | 0.333 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -76.6 | -32.5 | 177.4 | -84.1 | -63.5 | 0 | 0 | 0 | 113.5 | A871 A872 I873 T885 | A871-F875 HydrophobicContact CB-CD2 4.5Å; A871-F875 WeakPolarHBondContact O-CB 3.47Å; A871-F875 WeakPolarHBondContact O-CD2 3.45Å; A871-F875 PolarHBondContact O-N 2.89Å; A872-F875 PolarHBondContact O-N 2.86Å; I873-F875 VanDerWaalsContact C-N 3.3Å; I873-F875 PolarHBondContact O-N 2.86Å; F875-T885 HydrophobicContact CE1-CG2 3.86Å; F875-T885 HydrophobicContact CZ-CG2 3.75Å |
| 876 | A | 77.3 | Confident | 70.1 | Confident | 5 Ų | 5 | 91.7 Ų | 91.7 | 4% | 0.041 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -72.2 | -32.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | A872 I873 V899 I906 | A872-A876 WeakPolarHBondContact O-CB 3.33Å; A872-A876 PolarHBondContact O-N 2.91Å; I873-A876 PolarHBondContact O-N 2.65Å; A876-V899 HydrophobicContact CB-CG2 4.4Å; A876-I906 HydrophobicContact CB-CD1 3.55Å |
| 877 | S | 73.6 | Confident | 68.6 | Low | 78 Ų | 78 | 93.7 Ų | 93.7 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -86.5 | -32.5 | -179.8 | 56.7 | 0 | 0 | 0 | 0 | 115 | I873 K874 | I873-S877 PolarHBondContact O-N 3.24Å; I873-S877 VanDerWaalsContact O-N 3.12Å; I873-S877 PolarHBondContact O-OG 3Å; K874-S877 PolarHBondContact O-OG 3.33Å |
| 878 | N | 68.3 | Low | 67.3 | Low | 88 Ų | 88 | 95.6 Ų | 95.6 | 47% | 0.471 | 46% | 0.461 | S | S | . | . | trans | -96.5 | 139.3 | -173.6 | -72.2 | -63.4 | 0 | 0 | 0 | 114.6 | K874 | K874-N878 WeakPolarHBondContact O-CB 3.46Å; K874-N878 PolarHBondContact O-N 3.16Å; K874-N878 VanDerWaalsContact O-N 3.16Å; K874-N878 PolarHBondContact O-ND2 3.29Å | ||
| 879 | R | 57 | Low | 65.9 | Low | 215 Ų | 215 | 97.2 Ų | 97.2 | 81% | 0.811 | 47% | 0.47 | S | S | * | . | trans | -83.2 | -1.9 | 177.5 | -153.4 | -179.3 | -178.6 | -164.5 | 1.3 | 114.6 | E881 | R879-E881 PolarHBondContact O-N 3.45Š| ||
| 880 | I | 54.8 | Low | 64.4 | Low | 124 Ų | 124 | 102.2 Ų | 102.2 | 64% | 0.636 | 49% | 0.491 | S | S | * | . | trans | -79 | 97.2 | -173.4 | -54.6 | 175.7 | 0 | 0 | 0 | 109.4 | K882 | I880-K882 VanDerWaalsContact C-N 3.34Å; I880-K882 HydrophobicContact CG2-CG 4.3Å; I880-K882 PolarHBondContact O-N 3.48Å | ||
| 881 | E | 52.3 | Low | 63 | Low | 145 Ų | 145 | 100.6 Ų | 100.6 | 68% | 0.678 | 50% | 0.496 | S | S | * | . | trans | -60.3 | 92.6 | 168.3 | -70.7 | -177.3 | -178.7 | 0 | 0 | 109.8 | R879 T883 | R879-E881 PolarHBondContact O-N 3.45Å; E881-T883 PolarHBondContact O-N 2.82Å | ||
| 882 | K | 53.9 | Low | 62 | Low | 136 Ų | 136 | 102.6 Ų | 102.6 | 59% | 0.591 | 49% | 0.493 | S | S | * | . | trans | -73.7 | 124.8 | 169.3 | -70.4 | -174.8 | -178.4 | 177.1 | 0 | 107.4 | I880 R884 T885 | I880-K882 VanDerWaalsContact C-N 3.34Å; I880-K882 HydrophobicContact CG2-CG 4.3Å; I880-K882 PolarHBondContact O-N 3.48Å; K882-R884 PolarHBondContact O-N 3.32Å; K882-T885 PolarHBondContact O-N 3.36Å; K882-T885 PolarHBondContact O-OG1 2.88Å | ||
| 883 | T | 49.4 | Very low | 61.4 | Low | 98 Ų | 98 | 105.2 Ų | 105.2 | 60% | 0.601 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | -21.1 | -177.3 | -21.7 | 0 | 0 | 0 | 0 | 115 | E881 | E881-T883 PolarHBondContact O-N 2.82Š|
| 884 | R | 54.4 | Low | 60.8 | Low | 189 Ų | 189 | 106.9 Ų | 106.9 | 71% | 0.713 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -9.5 | -179.2 | -62.1 | -177.6 | 82 | 177 | 2.6 | 114.6 | K882 H887 | K882-R884 PolarHBondContact O-N 3.32Å; R884-H887 PolarHBondContact O-CE1 3.33Å; R884-H887 PolarHBondContact O-ND1 2.94Å |
| 885 | T | 55.5 | Low | 60.6 | Low | 36 Ų | 36 | 101.8 Ų | 101.8 | 22% | 0.221 | 50% | 0.498 | C | S | . | . | trans | -112.6 | 10.9 | -176.1 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | F875 K882 H887 I888 | F875-T885 HydrophobicContact CE1-CG2 3.86Å; F875-T885 HydrophobicContact CZ-CG2 3.75Å; K882-T885 PolarHBondContact O-N 3.36Å; K882-T885 PolarHBondContact O-OG1 2.88Å; T885-H887 PolarHBondContact O-N 3.48Å; T885-H887 VanDerWaalsContact O-N 3.12Å; T885-I888 HydrophobicContact CG2-CD1 4.39Å; T885-I888 PolarHBondContact O-N 3.4Å; T885-I888 VanDerWaalsContact O-N 3.14Å | ||
| 886 | R | 54.6 | Low | 60.7 | Low | 166 Ų | 166 | 100 Ų | 100 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -8.7 | 178 | -75.7 | -165.4 | -89.2 | -169.4 | -2.1 | 115.4 | D889 | R886-D889 VanDerWaalsContact O-OD2 3.05Š|
| 887 | H | 55.5 | Low | 60.7 | Low | 150 Ų | 150 | 103.7 Ų | 103.7 | 69% | 0.694 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -6.8 | 176.5 | 57.5 | -90.2 | 0 | 0 | 0 | 112.4 | R884 T885 D889 | R884-H887 PolarHBondContact O-CE1 3.33Å; R884-H887 PolarHBondContact O-ND1 2.94Å; T885-H887 PolarHBondContact O-N 3.48Å; T885-H887 VanDerWaalsContact O-N 3.12Å; H887-D889 VanDerWaalsContact C-N 3.28Å; H887-D889 PolarHBondContact O-N 2.85Å |
| 888 | I | 58.2 | Low | 61 | Low | 68 Ų | 68 | 101.1 Ų | 101.1 | 35% | 0.349 | 49% | 0.491 | S | S | . | . | trans | -95.1 | 15.3 | -174.8 | -52.2 | 178.6 | 0 | 0 | 0 | 110.8 | T885 I890 Y892 | T885-I888 HydrophobicContact CG2-CD1 4.39Å; T885-I888 PolarHBondContact O-N 3.4Å; T885-I888 VanDerWaalsContact O-N 3.14Å; I888-I890 PolarHBondContact O-N 2.91Å; I888-Y892 HydrophobicContact CG2-CD2 3.16Å; I888-Y892 HydrophobicContact CG2-CE2 3.66Å; I888-Y892 HydrophobicContact CG2-CG 3.9Å | ||
| 889 | D | 54.9 | Low | 61.5 | Low | 78 Ų | 78 | 98.9 Ų | 98.9 | 42% | 0.417 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -55.2 | -45.7 | -161.3 | -74.6 | -7.2 | 0 | 0 | 0 | 114.8 | R886 H887 H893 | R886-D889 VanDerWaalsContact O-OD2 3.05Å; H887-D889 VanDerWaalsContact C-N 3.28Å; H887-D889 PolarHBondContact O-N 2.85Å; D889-H893 VanDerWaalsContact O-CB 3.3Å; D889-H893 WeakPolarHBondContact O-CB 3.34Å; D889-H893 PolarHBondContact O-CD2 2.87Å; D889-H893 VanDerWaalsContact O-CG 3.26Å; D889-H893 PolarHBondContact O-N 3.49Å; D889-H893 IonicContact OD1-NE2 3.65Å |
| 890 | I | 54.9 | Low | 62.3 | Low | 151 Ų | 151 | 94.5 Ų | 94.5 | 77% | 0.774 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -77.5 | -44.2 | -164.4 | -58.1 | 176.6 | 0 | 0 | 0 | 113.5 | I888 V894 | I888-I890 PolarHBondContact O-N 2.91Å; I890-V894 WeakPolarHBondContact O-CG2 3.14Å |
| 891 | A | 52.6 | Low | 63.4 | Low | 73 Ų | 73 | 92.2 Ų | 92.2 | 60% | 0.603 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -79.8 | -36.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A895 | A891-A895 PolarHBondContact O-N 3.16Å |
| 892 | Y | 58.6 | Low | 64.4 | Low | 94 Ų | 94 | 86.9 Ų | 86.9 | 37% | 0.369 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -85.8 | -25.8 | -176.5 | -84.3 | -97.8 | 0 | 0 | 0 | 113.9 | A872 I888 V894 A895 R896 | A872-Y892 HydrophobicContact CB-CE1 4.12Å; I888-Y892 HydrophobicContact CG2-CD2 3.16Å; I888-Y892 HydrophobicContact CG2-CE2 3.66Å; I888-Y892 HydrophobicContact CG2-CG 3.9Å; Y892-V894 PolarHBondContact O-N 3.2Å; Y892-A895 PolarHBondContact O-N 3.23Å; Y892-R896 WeakPolarHBondContact O-CB 3.45Å; Y892-R896 PolarHBondContact O-N 2.78Å |
| 893 | H | 66 | Low | 65.6 | Low | 69 Ų | 69 | 83.6 Ų | 83.6 | 32% | 0.319 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.5 | -38.2 | 167.9 | -78.3 | -53.2 | 0 | 0 | 0 | 110.6 | D889 R896 D897 | D889-H893 VanDerWaalsContact O-CB 3.3Å; D889-H893 WeakPolarHBondContact O-CB 3.34Å; D889-H893 PolarHBondContact O-CD2 2.87Å; D889-H893 VanDerWaalsContact O-CG 3.26Å; D889-H893 PolarHBondContact O-N 3.49Å; D889-H893 IonicContact OD1-NE2 3.65Å; H893-R896 PolarHBondContact ND1-NH1 3.09Å; H893-R896 PolarHBondContact O-N 2.82Å; H893-D897 VanDerWaalsContact O-CB 3.23Å; H893-D897 WeakPolarHBondContact O-CB 3.22Å; H893-D897 PolarHBondContact O-N 3.05Å |
| 894 | V | 72 | Confident | 67.1 | Low | 69 Ų | 69 | 80 Ų | 80 | 42% | 0.418 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.4 | -48.2 | 176.5 | 177.8 | 0 | 0 | 0 | 0 | 112.1 | T526 I890 Y892 R896 D897 A898 | T526-V894 HydrophobicContact CG2-CG1 4.4Å; T526-V894 HydrophobicContact CG2-CG2 4.4Å; I890-V894 WeakPolarHBondContact O-CG2 3.14Å; Y892-V894 PolarHBondContact O-N 3.2Å; V894-R896 VanDerWaalsContact C-N 3.33Å; V894-R896 PolarHBondContact O-N 2.82Å; V894-D897 PolarHBondContact O-N 3.17Å; V894-A898 WeakPolarHBondContact O-CB 3.25Å; V894-A898 PolarHBondContact O-N 2.95Å |
| 895 | A | 73.5 | Confident | 68.5 | Low | 30 Ų | 30 | 73.3 Ų | 73.3 | 25% | 0.248 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | A891 Y892 A898 V899 | A891-A895 PolarHBondContact O-N 3.16Å; Y892-A895 PolarHBondContact O-N 3.23Å; A895-A898 PolarHBondContact O-N 3.24Å; A895-V899 WeakPolarHBondContact O-CG2 3.5Å; A895-V899 PolarHBondContact O-N 3.25Å; A895-V899 VanDerWaalsContact O-N 3.07Å |
| 896 | R | 76.5 | Confident | 69.9 | Low | 38 Ų | 38 | 73.1 Ų | 73.1 | 14% | 0.143 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.9 | -46.5 | 175.6 | -172.9 | -174.9 | -55.3 | 143.5 | 12.4 | 111.9 | Y892 H893 V894 A898 V899 Q900 | Y892-R896 WeakPolarHBondContact O-CB 3.45Å; Y892-R896 PolarHBondContact O-N 2.78Å; H893-R896 PolarHBondContact ND1-NH1 3.09Å; H893-R896 PolarHBondContact O-N 2.82Å; V894-R896 VanDerWaalsContact C-N 3.33Å; V894-R896 PolarHBondContact O-N 2.82Å; R896-A898 VanDerWaalsContact C-N 3.27Å; R896-A898 PolarHBondContact O-N 2.91Å; R896-V899 PolarHBondContact O-N 3.09Å; R896-Q900 WeakPolarHBondContact O-CB 3.39Å; R896-Q900 WeakPolarHBondContact O-CG 3.3Å; R896-Q900 PolarHBondContact O-N 3.05Å |
| 897 | D | 77.6 | Confident | 71.4 | Confident | 83 Ų | 83 | 66.9 Ų | 66.9 | 44% | 0.444 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 178.1 | -73.8 | -1.9 | 0 | 0 | 0 | 110.3 | H893 V894 Q900 S901 | H893-D897 VanDerWaalsContact O-CB 3.23Å; H893-D897 WeakPolarHBondContact O-CB 3.22Å; H893-D897 PolarHBondContact O-N 3.05Å; V894-D897 PolarHBondContact O-N 3.17Å; D897-Q900 PolarHBondContact O-N 2.84Å; D897-S901 WeakPolarHBondContact O-CB 3.39Å; D897-S901 PolarHBondContact O-N 3.35Å; D897-S901 PolarHBondContact O-OG 3.17Å; D897-S901 VanDerWaalsContact O-OG 3.1Å |
| 898 | A | 79.8 | Confident | 73 | Confident | 23 Ų | 23 | 65.1 Ų | 65.1 | 19% | 0.19 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.5 | -34 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | V894 A895 R896 S901 T903 V904 | V894-A898 WeakPolarHBondContact O-CB 3.25Å; V894-A898 PolarHBondContact O-N 2.95Å; A895-A898 PolarHBondContact O-N 3.24Å; R896-A898 VanDerWaalsContact C-N 3.27Å; R896-A898 PolarHBondContact O-N 2.91Å; A898-S901 WeakPolarHBondContact CA-OG 3.28Å; A898-S901 PolarHBondContact O-OG 3.34Å; A898-S901 VanDerWaalsContact O-OG 3.11Å; A898-T903 PolarHBondContact O-N 3.15Å; A898-V904 HydrophobicContact CB-CB 4.28Å; A898-V904 HydrophobicContact CB-CG2 4.07Å; A898-V904 PolarHBondContact O-N 2.95Å |
| 899 | V | 80.7 | Confident | 74.4 | Confident | 42 Ų | 42 | 62.6 Ų | 62.6 | 26% | 0.255 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -71.6 | -41.8 | 172.3 | 172.7 | 0 | 0 | 0 | 0 | 111 | A876 A895 R896 G902 V904 I906 | A876-V899 HydrophobicContact CB-CG2 4.4Å; A895-V899 WeakPolarHBondContact O-CG2 3.5Å; A895-V899 PolarHBondContact O-N 3.25Å; A895-V899 VanDerWaalsContact O-N 3.07Å; R896-V899 PolarHBondContact O-N 3.09Å; V899-G902 PolarHBondContact O-N 3.39Å; V899-V904 WeakPolarHBondContact CA-O 3.5Å; V899-I906 HydrophobicContact CG2-CD1 3.84Å; V899-I906 HydrophobicContact CG2-CG1 3.77Å |
| 900 | Q | 73.7 | Confident | 75.8 | Confident | 123 Ų | 123 | 61.1 Ų | 61.1 | 58% | 0.575 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -67.9 | -35.9 | 177.6 | -75.6 | -176.3 | -3.6 | 0 | 0 | 113.2 | R896 D897 G902 | R896-Q900 WeakPolarHBondContact O-CB 3.39Å; R896-Q900 WeakPolarHBondContact O-CG 3.3Å; R896-Q900 PolarHBondContact O-N 3.05Å; D897-Q900 PolarHBondContact O-N 2.84Å; Q900-G902 PolarHBondContact O-N 3.29Å |
| 901 | S | 78 | Confident | 77.1 | Confident | 76 Ų | 76 | 56.8 Ų | 56.8 | 53% | 0.531 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -3.5 | 175.1 | 63.8 | 0 | 0 | 0 | 0 | 113.1 | D897 A898 T903 | D897-S901 WeakPolarHBondContact O-CB 3.39Å; D897-S901 PolarHBondContact O-N 3.35Å; D897-S901 PolarHBondContact O-OG 3.17Å; D897-S901 VanDerWaalsContact O-OG 3.1Å; A898-S901 WeakPolarHBondContact CA-OG 3.28Å; A898-S901 PolarHBondContact O-OG 3.34Å; A898-S901 VanDerWaalsContact O-OG 3.11Å; S901-T903 PolarHBondContact O-N 2.85Å; S901-T903 PolarHBondContact OG-OG1 3.06Å |
| 902 | G | 72.6 | Confident | 78.4 | Confident | 32 Ų | 32 | 58.5 Ų | 58.5 | 33% | 0.33 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 13.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P862 V899 Q900 | P862-G902 WeakPolarHBondContact CA-O 3.17Å; P862-G902 WeakPolarHBondContact CB-O 3.48Å; V899-G902 PolarHBondContact O-N 3.39Å; Q900-G902 PolarHBondContact O-N 3.29Å |
| 903 | T | 77.9 | Confident | 79.5 | Confident | 68 Ų | 68 | 62.4 Ų | 62.4 | 42% | 0.417 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -74.7 | -33.3 | 178.5 | -52.5 | 0 | 0 | 0 | 0 | 111.3 | V863 A898 S901 | V863-T903 PolarHBondContact N-O 2.83Å; A898-T903 PolarHBondContact O-N 3.15Å; S901-T903 PolarHBondContact O-N 2.85Å; S901-T903 PolarHBondContact OG-OG1 3.06Å |
| 904 | V | 82 | Confident | 80.4 | Confident | 23 Ų | 23 | 60.4 Ų | 60.4 | 14% | 0.139 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 141.2 | -175.6 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | V863 M865 A898 V899 I906 | V863-V904 CarbonylContact O-C 3.55Å; V863-V904 WeakPolarHBondContact O-CA 3.34Å; V863-V904 WeakPolarHBondContact O-CG1 3.4Å; M865-V904 HydrophobicContact CB-CG1 4.16Å; M865-V904 HydrophobicContact CE-CG1 3.53Å; M865-V904 HydrophobicContact CG-CG1 3.67Å; M865-V904 HydrophobicContact SD-CG1 3.82Å; A898-V904 HydrophobicContact CB-CB 4.28Å; A898-V904 HydrophobicContact CB-CG2 4.07Å; A898-V904 PolarHBondContact O-N 2.95Å; V899-V904 WeakPolarHBondContact CA-O 3.5Å; V904-I906 HydrophobicContact CG1-CG1 4.32Å |
| 905 | S | 83 | Confident | 80.8 | Confident | 47 Ų | 47 | 59.7 Ų | 59.7 | 33% | 0.329 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.6 | 168.9 | 176.7 | 0 | 0 | 0 | 0 | 107.9 | V863 V864 M865 | V863-S905 PolarHBondContact O-N 3.28Å; V864-S905 CarbonylContact C-O 3.44Å; V864-S905 VanDerWaalsContact CA-O 3.31Å; V864-S905 WeakPolarHBondContact CA-O 3.45Å; M865-S905 PolarHBondContact N-O 3.19Å |
| 906 | I | 86.4 | Confident | 81.2 | Confident | 33 Ų | 33 | 60.6 Ų | 60.6 | 17% | 0.169 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 116.9 | -179.6 | -47 | -178.4 | 0 | 0 | 0 | 109.1 | M865 C867 I873 A876 V899 V904 | M865-I906 HydrophobicContact CE-CD1 4.14Å; M865-I906 HydrophobicContact CE-CG1 4.08Å; M865-I906 CarbonylContact O-C 3.59Å; M865-I906 WeakPolarHBondContact O-CA 3.43Å; C867-I906 HydrophobicContact CB-CG2 3.58Å; I873-I906 HydrophobicContact CD1-CG2 4.47Å; I873-I906 HydrophobicContact CG1-CG2 3.74Å; A876-I906 HydrophobicContact CB-CD1 3.55Å; V899-I906 HydrophobicContact CG2-CD1 3.84Å; V899-I906 HydrophobicContact CG2-CG1 3.77Å; V904-I906 HydrophobicContact CG1-CG1 4.32Å |
| 907 | A | 85.6 | Confident | 81.4 | Confident | 35 Ų | 35 | 59.8 Ų | 59.8 | 29% | 0.289 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 146.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V864 M865 L866 C867 | V864-A907 HydrophobicContact CG1-CB 3.95Å; M865-A907 PolarHBondContact O-N 3.24Å; L866-A907 CarbonylContact C-O 3.02Å; L866-A907 WeakPolarHBondContact CA-O 3.4Å; L866-A907 HydrophobicContact CD2-CB 4.03Å; C867-A907 PolarHBondContact N-O 3.44Å |
| 908 | Y | 89.4 | Confident | 81.5 | Confident | 113 Ų | 113 | 57.2 Ų | 57.2 | 44% | 0.443 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 130.4 | 179.7 | 175.3 | -110.5 | 0 | 0 | 0 | 111.4 | C867 D868 Q870 I873 P910 | C867-Y908 CarbonylContact O-C 3.58Å; C867-Y908 VanDerWaalsContact O-CA 3.3Å; C867-Y908 WeakPolarHBondContact O-CA 3.49Å; C867-Y908 WeakPolarHBondContact O-CD2 3.48Å; D868-Y908 WeakPolarHBondContact O-CE2 3.19Å; Q870-Y908 HydrophobicContact CG-CD2 3.7Å; Q870-Y908 HydrophobicContact CG-CE2 3.55Å; Q870-Y908 HydrophobicContact CG-CG 4.49Å; I873-Y908 HydrophobicContact CD1-CD2 4.04Å; I873-Y908 HydrophobicContact CD1-CG 4.33Å; Y908-P910 HydrophobicContact CE1-CG 3.87Å |
| 909 | V | 87.8 | Confident | 81.5 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 9% | 0.091 | 36% | 0.355 | C | S | . | . | trans | -122.5 | 127.7 | 166 | 67.5 | 0 | 0 | 0 | 0 | 109.4 | L866 C867 D868 R913 N914 | L866-V909 HydrophobicContact CB-CB 4.02Å; L866-V909 HydrophobicContact CB-CG1 3.72Å; C867-V909 PolarHBondContact O-N 3.03Å; D868-V909 WeakPolarHBondContact CA-O 3.41Å; D868-V909 VanDerWaalsContact CB-O 3.28Å; D868-V909 WeakPolarHBondContact CB-O 3.28Å; V909-R913 HydrophobicContact CG2-CB 3.93Å; V909-N914 HydrophobicContact CG1-CB 3.99Å | ||
| 910 | P | 84.3 | Confident | 81.4 | Confident | 47 Ų | 47 | 65.3 Ų | 65.3 | 31% | 0.305 | 37% | 0.373 | S | S | . | . | trans | -56.9 | 140.5 | 170.8 | -26.7 | 36.3 | 0 | 0 | 0 | 111.7 | Y908 N912 R913 N914 | Y908-P910 HydrophobicContact CE1-CG 3.87Å; P910-N912 WeakPolarHBondContact CB-OD1 3.31Å; P910-N912 PolarHBondContact O-N 3.41Å; P910-N912 VanDerWaalsContact O-N 3.11Å; P910-R913 CarbonylContact O-C 3.56Å; P910-R913 WeakPolarHBondContact O-CA 3.41Å; P910-R913 PolarHBondContact O-N 2.81Å; P910-N914 PolarHBondContact O-N 3.49Å | ||
| 911 | S | 81.4 | Confident | 81.6 | Confident | 60 Ų | 60 | 64.4 Ų | 64.4 | 42% | 0.42 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -56.5 | -31.5 | -177.4 | -53 | 0 | 0 | 0 | 0 | 113.5 | D868 R913 N914 | D868-S911 WeakPolarHBondContact CB-OG 3.38Å; D868-S911 PolarHBondContact OD2-OG 3.27Å; S911-R913 PolarHBondContact O-N 3.1Å; S911-N914 PolarHBondContact O-N 3.17Å |
| 912 | N | 79.2 | Confident | 81.6 | Confident | 108 Ų | 108 | 65 Ų | 65 | 58% | 0.578 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -70.4 | -11.5 | 175.9 | 67.7 | -22.4 | 0 | 0 | 0 | 114.4 | P910 | P910-N912 WeakPolarHBondContact CB-OD1 3.31Å; P910-N912 PolarHBondContact O-N 3.41Å; P910-N912 VanDerWaalsContact O-N 3.11Å |
| 913 | R | 81.9 | Confident | 82 | Confident | 177 Ų | 177 | 66.2 Ų | 66.2 | 67% | 0.668 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -113 | 1.5 | 173.5 | -67.5 | -171.9 | 174.9 | -176.4 | -1 | 112.5 | V909 P910 S911 V915 | V909-R913 HydrophobicContact CG2-CB 3.93Å; P910-R913 CarbonylContact O-C 3.56Å; P910-R913 WeakPolarHBondContact O-CA 3.41Å; P910-R913 PolarHBondContact O-N 2.81Å; S911-R913 PolarHBondContact O-N 3.1Å; R913-V915 PolarHBondContact O-N 3.31Å |
| 914 | N | 85.1 | Confident | 82.1 | Confident | 27 Ų | 27 | 73 Ų | 73 | 14% | 0.144 | 40% | 0.402 | C | S | . | . | trans | -83.2 | 98.4 | 178 | -172.2 | 4.1 | 0 | 0 | 0 | 110.2 | V909 P910 S911 A916 D917 | V909-N914 HydrophobicContact CG1-CB 3.99Å; P910-N914 PolarHBondContact O-N 3.49Å; S911-N914 PolarHBondContact O-N 3.17Å; N914-A916 PolarHBondContact O-N 2.84Å; N914-A916 VanDerWaalsContact O-N 3.15Å; N914-A916 WeakPolarHBondContact OD1-CB 3.49Å; N914-A916 PolarHBondContact OD1-N 3.09Å; N914-D917 PolarHBondContact ND2-OD1 3.39Å; N914-D917 WeakPolarHBondContact O-CB 3.16Å; N914-D917 PolarHBondContact O-N 3.01Å; N914-D917 VanDerWaalsContact O-N 3.1Å | ||
| 915 | V | 80.9 | Confident | 81.8 | Confident | 54 Ų | 54 | 77.1 Ų | 77.1 | 33% | 0.327 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59 | -28.6 | -179.8 | -167.4 | 0 | 0 | 0 | 0 | 112.1 | R913 D917 A918 L934 F935 | R913-V915 PolarHBondContact O-N 3.31Å; V915-D917 VanDerWaalsContact C-N 3.28Å; V915-D917 PolarHBondContact O-N 2.89Å; V915-A918 WeakPolarHBondContact O-CB 3.08Å; V915-A918 PolarHBondContact O-N 3.01Å; V915-L934 HydrophobicContact CG2-CB 4.12Å; V915-L934 HydrophobicContact CG2-CD1 4.34Å; V915-L934 HydrophobicContact CG2-CD2 4.43Å; V915-F935 HydrophobicContact CG1-CD1 3.8Å; V915-F935 HydrophobicContact CG1-CE1 3.31Å; V915-F935 HydrophobicContact CG1-CE2 4.27Å; V915-F935 HydrophobicContact CG1-CG 4.44Å; V915-F935 HydrophobicContact CG1-CZ 3.56Å |
| 916 | A | 82 | Confident | 81.5 | Confident | 48 Ų | 48 | 78.6 Ų | 78.6 | 40% | 0.397 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.2 | -26.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N914 A918 L919 T920 | N914-A916 PolarHBondContact O-N 2.84Å; N914-A916 VanDerWaalsContact O-N 3.15Å; N914-A916 WeakPolarHBondContact OD1-CB 3.49Å; N914-A916 PolarHBondContact OD1-N 3.09Å; A916-A918 PolarHBondContact O-N 3.47Å; A916-L919 PolarHBondContact O-N 3.29Å; A916-L919 VanDerWaalsContact O-N 3.17Å; A916-T920 PolarHBondContact O-N 3.05Å; A916-T920 PolarHBondContact O-OG1 2.74Å |
| 917 | D | 81.1 | Confident | 81 | Confident | 21 Ų | 21 | 78.9 Ų | 78.9 | 11% | 0.112 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -64 | -33.9 | 177.2 | -88 | 5.4 | 0 | 0 | 0 | 111.3 | N914 V915 L919 T920 K921 | N914-D917 PolarHBondContact ND2-OD1 3.39Å; N914-D917 WeakPolarHBondContact O-CB 3.16Å; N914-D917 PolarHBondContact O-N 3.01Å; N914-D917 VanDerWaalsContact O-N 3.1Å; V915-D917 VanDerWaalsContact C-N 3.28Å; V915-D917 PolarHBondContact O-N 2.89Å; D917-L919 VanDerWaalsContact C-N 3.25Å; D917-L919 PolarHBondContact O-N 3.39Å; D917-T920 PolarHBondContact O-N 3.2Å; D917-K921 HydrophobicContact CB-CD 4.21Å; D917-K921 WeakPolarHBondContact O-CB 3.48Å; D917-K921 PolarHBondContact O-N 2.93Å; D917-K921 VanDerWaalsContact OD1-CE 3.29Å; D917-K921 WeakPolarHBondContact OD1-CE 3.13Å; D917-K921 IonicContact OD1-NZ 2.82Å; D917-K921 PolarHBondContact OD1-NZ 3.34Å; D917-K921 IonicContact OD2-NZ 3.26Å; D917-K921 PolarHBondContact OD2-NZ 3.18Å |
| 918 | A | 78.4 | Confident | 80.7 | Confident | 29 Ų | 29 | 82.5 Ų | 82.5 | 24% | 0.24 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -67.3 | -25.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V915 A916 L923 A931 F935 | V915-A918 WeakPolarHBondContact O-CB 3.08Å; V915-A918 PolarHBondContact O-N 3.01Å; A916-A918 PolarHBondContact O-N 3.47Å; A918-L923 HydrophobicContact CB-CD1 3.63Å; A918-A931 HydrophobicContact CB-CB 3.5Å; A918-F935 HydrophobicContact CB-CE2 3.69Å; A918-F935 HydrophobicContact CB-CZ 4.09Å |
| 919 | L | 79.4 | Confident | 80.2 | Confident | 131 Ų | 131 | 83.6 Ų | 83.6 | 69% | 0.686 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -88.5 | -18.9 | 178.6 | -60.2 | 178.1 | 0 | 0 | 0 | 112.9 | A916 D917 F935 | A916-L919 PolarHBondContact O-N 3.29Å; A916-L919 VanDerWaalsContact O-N 3.17Å; D917-L919 VanDerWaalsContact C-N 3.25Å; D917-L919 PolarHBondContact O-N 3.39Å; L919-F935 HydrophobicContact CD1-CZ 4.39Å; L919-F935 HydrophobicContact CD2-CE1 4.16Å; L919-F935 HydrophobicContact CD2-CE2 4.39Å; L919-F935 HydrophobicContact CD2-CZ 3.56Å; L919-F935 HydrophobicContact CG-CE1 4.42Å; L919-F935 HydrophobicContact CG-CZ 3.82Å |
| 920 | T | 78.7 | Confident | 79.8 | Confident | 105 Ų | 105 | 86.6 Ų | 86.6 | 64% | 0.644 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -120.3 | -16.4 | -168.1 | 56.3 | 0 | 0 | 0 | 0 | 114 | A916 D917 | A916-T920 PolarHBondContact O-N 3.05Å; A916-T920 PolarHBondContact O-OG1 2.74Å; D917-T920 PolarHBondContact O-N 3.2Å |
| 921 | K | 77.7 | Confident | 79.7 | Confident | 104 Ų | 104 | 84.8 Ų | 84.8 | 45% | 0.452 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -126.4 | 146.1 | -177.3 | -59.2 | 172.6 | -176.5 | 162 | 0 | 110.5 | D868 D917 L923 | D868-K921 IonicContact OD2-NZ 3.01Å; D917-K921 HydrophobicContact CB-CD 4.21Å; D917-K921 WeakPolarHBondContact O-CB 3.48Å; D917-K921 PolarHBondContact O-N 2.93Å; D917-K921 VanDerWaalsContact OD1-CE 3.29Å; D917-K921 WeakPolarHBondContact OD1-CE 3.13Å; D917-K921 IonicContact OD1-NZ 2.82Å; D917-K921 PolarHBondContact OD1-NZ 3.34Å; D917-K921 IonicContact OD2-NZ 3.26Å; D917-K921 PolarHBondContact OD2-NZ 3.18Å; K921-L923 PolarHBondContact O-N 3.26Å |
| 922 | G | 79.7 | Confident | 79.6 | Confident | 89 Ų | 89 | 84.5 Ų | 84.5 | 92% | 0.918 | 47% | 0.468 | S | S | * | . | trans | -67 | 115.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 923 | L | 79.1 | Confident | 79.6 | Confident | 57 Ų | 57 | 85.1 Ų | 85.1 | 30% | 0.298 | 47% | 0.467 | S | S | . | . | trans | -89.9 | 142.8 | -178.1 | -63.4 | -175.5 | 0 | 0 | 0 | 111.8 | A918 K921 A927 Q928 A931 | A918-L923 HydrophobicContact CB-CD1 3.63Å; K921-L923 PolarHBondContact O-N 3.26Å; L923-A927 HydrophobicContact CB-CB 4.14Å; L923-A927 HydrophobicContact CD1-CB 4.49Å; L923-A927 HydrophobicContact CD2-CB 4.25Å; L923-Q928 HydrophobicContact CB-CB 4.32Å; L923-A931 HydrophobicContact CD1-CB 3.57Å | ||
| 924 | R | 80.2 | Confident | 79.5 | Confident | 211 Ų | 211 | 80.3 Ų | 80.3 | 80% | 0.796 | 45% | 0.454 | S | S | * | . | trans | -67.4 | 154.6 | 166.2 | -64.9 | -177.8 | -177.6 | 177.2 | -0 | 109.7 | A926 A927 Q928 | R924-A926 VanDerWaalsContact C-N 3.29Å; R924-A926 PolarHBondContact O-N 3.48Å; R924-A926 VanDerWaalsContact O-N 3.1Å; R924-A927 WeakPolarHBondContact O-CA 3.1Å; R924-A927 WeakPolarHBondContact O-CB 2.98Å; R924-A927 PolarHBondContact O-N 3.04Å; R924-Q928 PolarHBondContact O-N 2.95Å | ||
| 925 | P | 76.5 | Confident | 79.3 | Confident | 108 Ų | 108 | 82.5 Ų | 82.5 | 70% | 0.701 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -50.6 | -41.9 | -175.5 | -29.9 | 35.2 | 0 | 0 | 0 | 114.9 | A927 Q928 K929 | P925-A927 PolarHBondContact O-N 3.49Å; P925-Q928 WeakPolarHBondContact O-CB 3.46Å; P925-Q928 PolarHBondContact O-N 3.46Å; P925-K929 PolarHBondContact O-N 2.87Å; P925-K929 VanDerWaalsContact O-N 3.13Å |
| 926 | A | 75.9 | Confident | 79 | Confident | 78 Ų | 78 | 87.3 Ų | 87.3 | 65% | 0.645 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.3 | -38.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | R924 N930 | R924-A926 VanDerWaalsContact C-N 3.29Å; R924-A926 PolarHBondContact O-N 3.48Å; R924-A926 VanDerWaalsContact O-N 3.1Å; A926-N930 PolarHBondContact O-N 2.89Å |
| 927 | A | 77.1 | Confident | 78.8 | Confident | 40 Ų | 40 | 90.5 Ų | 90.5 | 33% | 0.331 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -74.3 | -31.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L923 R924 P925 N930 A931 | L923-A927 HydrophobicContact CB-CB 4.14Å; L923-A927 HydrophobicContact CD1-CB 4.49Å; L923-A927 HydrophobicContact CD2-CB 4.25Å; R924-A927 WeakPolarHBondContact O-CA 3.1Å; R924-A927 WeakPolarHBondContact O-CB 2.98Å; R924-A927 PolarHBondContact O-N 3.04Å; P925-A927 PolarHBondContact O-N 3.49Å; A927-N930 PolarHBondContact O-N 2.96Å; A927-A931 WeakPolarHBondContact O-CB 3.34Å; A927-A931 PolarHBondContact O-N 3Å |
| 928 | Q | 79.2 | Confident | 78.3 | Confident | 110 Ų | 110 | 99 Ų | 99 | 51% | 0.514 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 175.3 | -169.7 | 176.3 | 3.4 | 0 | 0 | 111.7 | L923 R924 P925 A931 L932 | L923-Q928 HydrophobicContact CB-CB 4.32Å; R924-Q928 PolarHBondContact O-N 2.95Å; P925-Q928 WeakPolarHBondContact O-CB 3.46Å; P925-Q928 PolarHBondContact O-N 3.46Å; Q928-A931 WeakPolarHBondContact O-CB 3.03Å; Q928-A931 PolarHBondContact O-N 2.82Å; Q928-L932 WeakPolarHBondContact O-CG 3.26Å; Q928-L932 PolarHBondContact O-N 3.45Å |
| 929 | K | 78.6 | Confident | 77.6 | Confident | 137 Ų | 137 | 102.3 Ų | 102.3 | 60% | 0.596 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.8 | -49.4 | 173.9 | -173 | 179.1 | 176.2 | -178.4 | 0 | 111.9 | P925 A931 L932 E933 | P925-K929 PolarHBondContact O-N 2.87Å; P925-K929 VanDerWaalsContact O-N 3.13Å; K929-A931 VanDerWaalsContact C-N 3.27Å; K929-A931 PolarHBondContact O-N 3.05Å; K929-L932 PolarHBondContact O-N 2.88Å; K929-E933 PolarHBondContact O-N 3.07Å; K929-E933 VanDerWaalsContact O-N 3.07Å |
| 930 | N | 80.3 | Confident | 76.6 | Confident | 77 Ų | 77 | 107.3 Ų | 107.3 | 41% | 0.412 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.6 | -38.6 | 175.1 | -74.4 | -4.9 | 0 | 0 | 0 | 112 | A926 A927 E933 L934 | A926-N930 PolarHBondContact O-N 2.89Å; A927-N930 PolarHBondContact O-N 2.96Å; N930-E933 PolarHBondContact O-N 3.47Å; N930-L934 VanDerWaalsContact O-CG 3.29Å; N930-L934 WeakPolarHBondContact O-CG 3.28Å; N930-L934 PolarHBondContact O-N 3.15Å |
| 931 | A | 80.7 | Confident | 75.2 | Confident | 10 Ų | 10 | 109.4 Ų | 109.4 | 8% | 0.083 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -64.7 | -42.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A918 L923 A927 Q928 K929 E933 L934 F935 | A918-A931 HydrophobicContact CB-CB 3.5Å; L923-A931 HydrophobicContact CD1-CB 3.57Å; A927-A931 WeakPolarHBondContact O-CB 3.34Å; A927-A931 PolarHBondContact O-N 3Å; Q928-A931 WeakPolarHBondContact O-CB 3.03Å; Q928-A931 PolarHBondContact O-N 2.82Å; K929-A931 VanDerWaalsContact C-N 3.27Å; K929-A931 PolarHBondContact O-N 3.05Å; A931-E933 VanDerWaalsContact C-N 3.34Å; A931-L934 WeakPolarHBondContact O-CB 3.37Å; A931-L934 PolarHBondContact O-N 3.21Å; A931-F935 WeakPolarHBondContact O-CD2 3.4Å; A931-F935 PolarHBondContact O-N 2.97Å |
| 932 | L | 80.1 | Confident | 73.7 | Confident | 53 Ų | 53 | 112.1 Ų | 112.1 | 28% | 0.277 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.8 | -42.8 | 175.3 | -71.2 | 171.6 | 0 | 0 | 0 | 111.5 | Q928 K929 L934 F935 N936 M937 | Q928-L932 WeakPolarHBondContact O-CG 3.26Å; Q928-L932 PolarHBondContact O-N 3.45Å; K929-L932 PolarHBondContact O-N 2.88Å; L932-L934 VanDerWaalsContact C-N 3.35Å; L932-L934 PolarHBondContact O-N 3.31Å; L932-F935 PolarHBondContact O-N 3.3Å; L932-N936 PolarHBondContact O-N 2.91Å; L932-N936 VanDerWaalsContact O-N 3.16Å; L932-M937 HydrophobicContact CD2-CB 4.07Å; L932-M937 PolarHBondContact O-N 3.48Å |
| 933 | E | 78.9 | Confident | 71.8 | Confident | 121 Ų | 121 | 117.7 Ų | 117.7 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.3 | -42.7 | 172.7 | -71.7 | 174.9 | -168.5 | 0 | 0 | 111.7 | K929 N930 A931 F935 N936 | K929-E933 PolarHBondContact O-N 3.07Å; K929-E933 VanDerWaalsContact O-N 3.07Å; N930-E933 PolarHBondContact O-N 3.47Å; A931-E933 VanDerWaalsContact C-N 3.34Å; E933-F935 VanDerWaalsContact C-N 3.35Å; E933-F935 PolarHBondContact O-N 3.22Å; E933-N936 PolarHBondContact O-N 3.1Å |
| 934 | L | 79 | Confident | 70 | Confident | 76 Ų | 76 | 118.6 Ų | 118.6 | 40% | 0.398 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.5 | -35.4 | 175.9 | -74.3 | 169.3 | 0 | 0 | 0 | 113.2 | V915 N930 A931 L932 N936 | V915-L934 HydrophobicContact CG2-CB 4.12Å; V915-L934 HydrophobicContact CG2-CD1 4.34Å; V915-L934 HydrophobicContact CG2-CD2 4.43Å; N930-L934 VanDerWaalsContact O-CG 3.29Å; N930-L934 WeakPolarHBondContact O-CG 3.28Å; N930-L934 PolarHBondContact O-N 3.15Å; A931-L934 WeakPolarHBondContact O-CB 3.37Å; A931-L934 PolarHBondContact O-N 3.21Å; L932-L934 VanDerWaalsContact C-N 3.35Å; L932-L934 PolarHBondContact O-N 3.31Å; L934-N936 PolarHBondContact O-N 2.96Å |
| 935 | F | 81 | Confident | 67.8 | Low | 73 Ų | 73 | 121.1 Ų | 121.1 | 32% | 0.32 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.9 | -4.4 | 172.4 | -71.5 | -63.7 | 0 | 0 | 0 | 113.5 | V915 A918 L919 A931 L932 E933 M937 | V915-F935 HydrophobicContact CG1-CD1 3.8Å; V915-F935 HydrophobicContact CG1-CE1 3.31Å; V915-F935 HydrophobicContact CG1-CE2 4.27Å; V915-F935 HydrophobicContact CG1-CG 4.44Å; V915-F935 HydrophobicContact CG1-CZ 3.56Å; A918-F935 HydrophobicContact CB-CE2 3.69Å; A918-F935 HydrophobicContact CB-CZ 4.09Å; L919-F935 HydrophobicContact CD1-CZ 4.39Å; L919-F935 HydrophobicContact CD2-CE1 4.16Å; L919-F935 HydrophobicContact CD2-CE2 4.39Å; L919-F935 HydrophobicContact CD2-CZ 3.56Å; L919-F935 HydrophobicContact CG-CE1 4.42Å; L919-F935 HydrophobicContact CG-CZ 3.82Å; A931-F935 WeakPolarHBondContact O-CD2 3.4Å; A931-F935 PolarHBondContact O-N 2.97Å; L932-F935 PolarHBondContact O-N 3.3Å; E933-F935 VanDerWaalsContact C-N 3.35Å; E933-F935 PolarHBondContact O-N 3.22Å; F935-M937 HydrophobicContact CB-CB 4.14Å; F935-M937 HydrophobicContact CB-CG 3.62Å; F935-M937 HydrophobicContact CB-SD 3.77Å; F935-M937 HydrophobicContact CD2-SD 4.48Å; F935-M937 HydrophobicContact CG-SD 4.21Å; F935-M937 PolarHBondContact O-N 3.35Å |
| 936 | N | 76.2 | Confident | 67.4 | Low | 155 Ų | 155 | 121.8 Ų | 121.8 | 83% | 0.829 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.6 | 30.7 | -168.7 | -150.2 | 24.1 | 0 | 0 | 0 | 112.2 | L932 E933 L934 | L932-N936 PolarHBondContact O-N 2.91Å; L932-N936 VanDerWaalsContact O-N 3.16Å; E933-N936 PolarHBondContact O-N 3.1Å; L934-N936 PolarHBondContact O-N 2.96Å |
| 937 | M | 77.7 | Confident | 66.9 | Low | 115 Ų | 115 | 124.1 Ų | 124.1 | 57% | 0.567 | 61% | 0.614 | S | S | * | * | trans | -96 | 127.7 | 178.7 | -70.8 | 179.3 | 84.4 | 0 | 0 | 109.5 | L932 F935 | L932-M937 HydrophobicContact CD2-CB 4.07Å; L932-M937 PolarHBondContact O-N 3.48Å; F935-M937 HydrophobicContact CB-CB 4.14Å; F935-M937 HydrophobicContact CB-CG 3.62Å; F935-M937 HydrophobicContact CB-SD 3.77Å; F935-M937 HydrophobicContact CD2-SD 4.48Å; F935-M937 HydrophobicContact CG-SD 4.21Å; F935-M937 PolarHBondContact O-N 3.35Å | ||
| 938 | K | 69.4 | Low | 66.3 | Low | 200 Ų | 200 | 128.8 Ų | 128.8 | 87% | 0.87 | 63% | 0.629 | S | S | * | * | trans | -83.3 | 135.2 | 170.4 | -65.2 | -176.6 | -179.9 | -179.5 | 0 | 109.1 | R940 | K938-R940 PolarHBondContact O-N 3.12Å; K938-R940 VanDerWaalsContact O-N 3.09Å | ||
| 939 | S | 63.4 | Low | 65.6 | Low | 99 Ų | 99 | 129.9 Ų | 129.9 | 69% | 0.692 | 64% | 0.636 | S | S | * | * | trans | -62.2 | 112.5 | 168.2 | 54.6 | 0 | 0 | 0 | 0 | 108.6 | E941 | S939-E941 PolarHBondContact O-N 2.91Š| ||
| 940 | R | 59.4 | Low | 64.8 | Low | 235 Ų | 235 | 129.4 Ų | 129.4 | 89% | 0.887 | 64% | 0.639 | S | S | * | * | trans | -84.5 | 108.4 | 168 | -151.1 | 178 | -173.5 | -176.7 | 1 | 106 | K938 I942 | K938-R940 PolarHBondContact O-N 3.12Å; K938-R940 VanDerWaalsContact O-N 3.09Å; R940-I942 PolarHBondContact O-N 3.32Å | ||
| 941 | E | 49.1 | Very low | 63.7 | Low | 149 Ų | 149 | 132.9 Ų | 132.9 | 70% | 0.696 | 65% | 0.654 | S | S | * | * | trans | -57.9 | 112.4 | 163.7 | -84.5 | -174.3 | 166.4 | 0 | 0 | 106.6 | S939 R943 | S939-E941 PolarHBondContact O-N 2.91Å; E941-R943 PolarHBondContact O-N 2.94Å; E941-R943 IonicContact OE2-NE 3.71Å | ||
| 942 | I | 46.2 | Very low | 62.5 | Low | 162 Ų | 162 | 141.7 Ų | 141.7 | 83% | 0.831 | 70% | 0.695 | S | S | * | * | trans | -73 | 84.5 | 164.6 | -55.6 | 173.7 | 0 | 0 | 0 | 104.2 | R940 G944 | R940-I942 PolarHBondContact O-N 3.32Å; I942-G944 PolarHBondContact O-N 3.08Å; I942-G944 VanDerWaalsContact O-N 3.1Å | ||
| 943 | R | 40.1 | Very low | 61.2 | Low | 206 Ų | 206 | 148.5 Ų | 148.5 | 78% | 0.777 | 73% | 0.727 | S | S | * | * | trans | -63.1 | 111 | 163.2 | -76.1 | -172.4 | 178.1 | -171.5 | -2.2 | 105.6 | E941 E945 | E941-R943 PolarHBondContact O-N 2.94Å; E941-R943 IonicContact OE2-NE 3.71Å; R943-E945 PolarHBondContact O-N 3.25Å; R943-E945 VanDerWaalsContact O-N 3.14Å | ||
| 944 | G | 41.1 | Very low | 59.7 | Low | 76 Ų | 76 | 150.8 Ų | 150.8 | 78% | 0.784 | 74% | 0.74 | S | S | * | * | trans | -65.1 | 108 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108 | I942 | I942-G944 PolarHBondContact O-N 3.08Å; I942-G944 VanDerWaalsContact O-N 3.1Å | ||
| 945 | E | 33.8 | Very low | 57.9 | Low | 264 Ų | 264 | 157.6 Ų | 157.6 | 100% | 1.234 | 77% | 0.771 | S | S | * | * | trans | -100.5 | 0 | 151.1 | -76.7 | -173.3 | 169.7 | 0 | 0 | 108.6 | R943 | R943-E945 PolarHBondContact O-N 3.25Å; R943-E945 VanDerWaalsContact O-N 3.14Å |
Retrieved 945 of 945 residues in 1720.1 ms
(Link to these results)