| 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 | 61.2 | Low | 69.6 | Low | 93 Ų | 93 | 105.6 Ų | 105.6 | 46% | 0.458 | 56% | 0.559 | S | S | . | * | 0 | 102 | 0 | -81.7 | -175.3 | -176.4 | 0 | 0 | 109.6 | L3 K4 L10 F60 F66 | M1-L3 PolarHBondContact O-N 3.38Å; M1-K4 HydrophobicContact CB-CB 4.15Å; M1-K4 PolarHBondContact O-N 3.48Å; M1-L10 HydrophobicContact CE-CD1 4.42Å; M1-L10 HydrophobicContact SD-CD1 3.69Å; M1-F60 HydrophobicContact CE-CB 3.82Å; M1-F60 HydrophobicContact CE-CD1 3.24Å; M1-F60 HydrophobicContact CE-CE1 4.08Å; M1-F60 HydrophobicContact CE-CG 3.86Å; M1-F66 HydrophobicContact CE-CD2 3.95Å; M1-F66 HydrophobicContact CE-CE2 3.28Å; M1-F66 HydrophobicContact CE-CZ 3.78Å; M1-F66 HydrophobicContact SD-CE2 4.41Å | |||
| 2 | L | 66.4 | Low | 71.1 | Confident | 173 Ų | 173 | 105.2 Ų | 105.2 | 91% | 0.906 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -20.6 | 177.8 | -71.5 | 161.2 | 0 | 0 | 0 | 113.2 | P5 | L2-P5 WeakPolarHBondContact O-CD 3.2Š|
| 3 | L | 66.6 | Low | 72.5 | Confident | 72 Ų | 72 | 101.2 Ų | 101.2 | 38% | 0.377 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -10.2 | -178.5 | -68.7 | 166.4 | 0 | 0 | 0 | 114.2 | M1 P5 L6 L13 | M1-L3 PolarHBondContact O-N 3.38Å; L3-P5 VanDerWaalsContact C-N 3.33Å; L3-L6 HydrophobicContact CD2-CD1 3.88Å; L3-L6 PolarHBondContact O-N 3.45Å; L3-L13 HydrophobicContact CD1-CB 4.47Å; L3-L13 HydrophobicContact CD1-CD1 4.32Å; L3-L13 HydrophobicContact CD1-CD2 4.06Å |
| 4 | K | 62.8 | Low | 73.8 | Confident | 135 Ų | 135 | 95 Ų | 95 | 59% | 0.587 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -33.6 | 179.6 | -157.9 | 177.7 | -175.3 | -179.1 | 0 | 114.3 | M1 L6 | M1-K4 HydrophobicContact CB-CB 4.15Å; M1-K4 PolarHBondContact O-N 3.48Å; K4-L6 VanDerWaalsContact C-N 3.33Å |
| 5 | P | 63.3 | Low | 75 | Confident | 114 Ų | 114 | 93 Ų | 93 | 74% | 0.74 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -11.6 | 179.1 | -14.3 | 30.1 | 0 | 0 | 0 | 115.1 | L2 L3 | L2-P5 WeakPolarHBondContact O-CD 3.2Å; L3-P5 VanDerWaalsContact C-N 3.33Å |
| 6 | L | 64.9 | Low | 76 | Confident | 107 Ų | 107 | 97.9 Ų | 97.9 | 56% | 0.56 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -89.2 | 123.7 | -177.3 | -78.9 | 152.2 | 0 | 0 | 0 | 110 | L3 K4 K8 G9 | L3-L6 HydrophobicContact CD2-CD1 3.88Å; L3-L6 PolarHBondContact O-N 3.45Å; K4-L6 VanDerWaalsContact C-N 3.33Å; L6-K8 PolarHBondContact O-N 3.23Å; L6-G9 PolarHBondContact O-N 3.17Å |
| 7 | D | 59.5 | Low | 77 | Confident | 168 Ų | 168 | 93.1 Ų | 93.1 | 90% | 0.898 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 122.1 | 171.1 | -95.8 | -25.5 | 0 | 0 | 0 | 109.5 | G9 | D7-G9 VanDerWaalsContact C-N 3.26Å; D7-G9 PolarHBondContact O-N 3.17Å |
| 8 | K | 75.1 | Confident | 77.9 | Confident | 177 Ų | 177 | 89.8 Ų | 89.8 | 77% | 0.77 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | -5.2 | -172.9 | -51.2 | 179.8 | 179.1 | 179.8 | 0 | 117.4 | L6 L10 S11 E12 | L6-K8 PolarHBondContact O-N 3.23Å; K8-L10 VanDerWaalsContact C-N 3.28Å; K8-L10 PolarHBondContact O-N 3.05Å; K8-S11 WeakPolarHBondContact CA-OG 3.46Å; K8-S11 PolarHBondContact O-N 3.43Å; K8-S11 PolarHBondContact O-OG 3.5Å; K8-E12 PolarHBondContact O-N 2.92Å; K8-E12 VanDerWaalsContact O-N 3.12Å |
| 9 | G | 78 | Confident | 78.7 | Confident | 15 Ų | 15 | 89.5 Ų | 89.5 | 16% | 0.155 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L6 D7 L13 | L6-G9 PolarHBondContact O-N 3.17Å; D7-G9 VanDerWaalsContact C-N 3.26Å; D7-G9 PolarHBondContact O-N 3.17Å; G9-L13 WeakPolarHBondContact O-CB 3.4Å; G9-L13 PolarHBondContact O-N 3.36Å |
| 10 | L | 82.6 | Confident | 79.5 | Confident | 34 Ų | 34 | 90.3 Ų | 90.3 | 18% | 0.178 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -68 | -43.4 | 176.4 | -163.1 | 76.7 | 0 | 0 | 0 | 112.1 | M1 K8 L13 V14 F66 | M1-L10 HydrophobicContact CE-CD1 4.42Å; M1-L10 HydrophobicContact SD-CD1 3.69Å; K8-L10 VanDerWaalsContact C-N 3.28Å; K8-L10 PolarHBondContact O-N 3.05Å; L10-L13 PolarHBondContact O-N 2.84Å; L10-V14 VanDerWaalsContact O-CG2 3.24Å; L10-V14 WeakPolarHBondContact O-CG2 3.26Å; L10-V14 PolarHBondContact O-N 2.8Å; L10-F66 HydrophobicContact CD1-CE2 4.13Å; L10-F66 HydrophobicContact CD1-CZ 4.48Å |
| 11 | S | 85.3 | Confident | 80.1 | Confident | 74 Ų | 74 | 86 Ų | 86 | 52% | 0.517 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.3 | -39.3 | -178.4 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | K8 V14 S15 | K8-S11 WeakPolarHBondContact CA-OG 3.46Å; K8-S11 PolarHBondContact O-N 3.43Å; K8-S11 PolarHBondContact O-OG 3.5Å; S11-V14 PolarHBondContact O-N 3.25Å; S11-S15 WeakPolarHBondContact O-CB 3.41Å; S11-S15 PolarHBondContact O-N 3.33Å |
| 12 | E | 87.5 | Confident | 81.5 | Confident | 100 Ų | 100 | 83.6 Ų | 83.6 | 47% | 0.467 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 175.4 | -175.3 | 61.6 | -156.5 | 0 | 0 | 110.8 | K8 V14 S15 R16 | K8-E12 PolarHBondContact O-N 2.92Å; K8-E12 VanDerWaalsContact O-N 3.12Å; E12-V14 VanDerWaalsContact C-N 3.35Å; E12-V14 PolarHBondContact O-N 3.21Å; E12-S15 PolarHBondContact O-N 2.97Å; E12-R16 HydrophobicContact CG-CG 4.5Å; E12-R16 WeakPolarHBondContact O-CB 3.33Å; E12-R16 VanDerWaalsContact O-CG 3.31Å; E12-R16 WeakPolarHBondContact O-CG 3.31Å; E12-R16 PolarHBondContact O-N 3.29Å; E12-R16 IonicContact OE1-CZ 3.95Å; E12-R16 IonicContact OE1-NE 3.12Å; E12-R16 PolarHBondContact OE1-NE 2.98Å; E12-R16 VanDerWaalsContact OE1-NE 3.12Å; E12-R16 IonicContact OE1-NH2 3.44Å |
| 13 | L | 89.2 | Confident | 82.7 | Confident | 54 Ų | 54 | 80.2 Ų | 80.2 | 28% | 0.283 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 176.3 | -176.6 | 65.1 | 0 | 0 | 0 | 111.7 | L3 G9 L10 R16 Y17 F66 | L3-L13 HydrophobicContact CD1-CB 4.47Å; L3-L13 HydrophobicContact CD1-CD1 4.32Å; L3-L13 HydrophobicContact CD1-CD2 4.06Å; G9-L13 WeakPolarHBondContact O-CB 3.4Å; G9-L13 PolarHBondContact O-N 3.36Å; L10-L13 PolarHBondContact O-N 2.84Å; L13-R16 PolarHBondContact O-N 3.23Å; L13-Y17 WeakPolarHBondContact O-CB 3.32Å; L13-Y17 PolarHBondContact O-N 3.1Å; L13-F66 HydrophobicContact CD2-CE1 4.24Å; L13-F66 HydrophobicContact CD2-CZ 3.75Å; L13-F66 HydrophobicContact CG-CE1 4.1Å; L13-F66 HydrophobicContact CG-CZ 3.96Å |
| 14 | V | 90.4 | Very high | 83.9 | Confident | 14 Ų | 14 | 78.1 Ų | 78.1 | 9% | 0.085 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 176.8 | 172 | 0 | 0 | 0 | 0 | 110.9 | L10 S11 E12 Y17 E18 D65 F66 A69 | L10-V14 VanDerWaalsContact O-CG2 3.24Å; L10-V14 WeakPolarHBondContact O-CG2 3.26Å; L10-V14 PolarHBondContact O-N 2.8Å; S11-V14 PolarHBondContact O-N 3.25Å; E12-V14 VanDerWaalsContact C-N 3.35Å; E12-V14 PolarHBondContact O-N 3.21Å; V14-Y17 PolarHBondContact O-N 3.36Å; V14-E18 WeakPolarHBondContact O-CB 3.25Å; V14-E18 PolarHBondContact O-N 3.23Å; V14-D65 HydrophobicContact CG1-CB 4.41Å; V14-D65 HydrophobicContact CG2-CB 3.92Å; V14-F66 HydrophobicContact CG2-CD1 4.42Å; V14-F66 HydrophobicContact CG2-CD2 4.14Å; V14-F66 HydrophobicContact CG2-CE1 4.05Å; V14-F66 HydrophobicContact CG2-CE2 3.74Å; V14-F66 HydrophobicContact CG2-CG 4.46Å; V14-F66 HydrophobicContact CG2-CZ 3.69Å; V14-A69 HydrophobicContact CG1-CB 3.69Å |
| 15 | S | 91.7 | Very high | 85.1 | Confident | 65 Ų | 65 | 71.7 Ų | 71.7 | 46% | 0.455 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 176.2 | -177.7 | 0 | 0 | 0 | 0 | 112.2 | S11 E12 Y17 E18 E19 | S11-S15 WeakPolarHBondContact O-CB 3.41Å; S11-S15 PolarHBondContact O-N 3.33Å; E12-S15 PolarHBondContact O-N 2.97Å; S15-Y17 VanDerWaalsContact C-N 3.31Å; S15-Y17 PolarHBondContact O-N 3.48Å; S15-E18 PolarHBondContact O-N 3.34Å; S15-E19 PolarHBondContact O-N 2.84Å |
| 16 | R | 92 | Very high | 86.3 | Confident | 171 Ų | 171 | 67.9 Ų | 67.9 | 65% | 0.645 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.4 | -35.4 | 176.5 | -68.7 | -66 | -176.8 | 150.9 | 0 | 112.7 | E12 L13 H20 | E12-R16 HydrophobicContact CG-CG 4.5Å; E12-R16 WeakPolarHBondContact O-CB 3.33Å; E12-R16 VanDerWaalsContact O-CG 3.31Å; E12-R16 WeakPolarHBondContact O-CG 3.31Å; E12-R16 PolarHBondContact O-N 3.29Å; E12-R16 IonicContact OE1-CZ 3.95Å; E12-R16 IonicContact OE1-NE 3.12Å; E12-R16 PolarHBondContact OE1-NE 2.98Å; E12-R16 VanDerWaalsContact OE1-NE 3.12Å; E12-R16 IonicContact OE1-NH2 3.44Å; L13-R16 PolarHBondContact O-N 3.23Å; R16-H20 WeakPolarHBondContact O-CB 3.39Å; R16-H20 PolarHBondContact O-N 3.14Å |
| 17 | Y | 92.2 | Very high | 87.4 | Confident | 17 Ų | 17 | 65.3 Ų | 65.3 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66 | -45.3 | 175.1 | -173.7 | -108.1 | 0 | 0 | 0 | 111.4 | L13 V14 S15 H20 I21 Y52 I56 F60 F66 A69 | L13-Y17 WeakPolarHBondContact O-CB 3.32Å; L13-Y17 PolarHBondContact O-N 3.1Å; V14-Y17 PolarHBondContact O-N 3.36Å; S15-Y17 VanDerWaalsContact C-N 3.31Å; S15-Y17 PolarHBondContact O-N 3.48Å; Y17-H20 PolarHBondContact O-N 2.93Å; Y17-I21 HydrophobicContact CD1-CD1 3.51Å; Y17-I21 HydrophobicContact CD2-CD1 4.32Å; Y17-I21 HydrophobicContact CE1-CD1 3.16Å; Y17-I21 HydrophobicContact CE1-CG1 4.39Å; Y17-I21 HydrophobicContact CE2-CD1 4.01Å; Y17-I21 HydrophobicContact CG-CD1 4.09Å; Y17-I21 VanDerWaalsContact CZ-CD1 3.43Å; Y17-I21 WeakPolarHBondContact O-CG1 3.4Å; Y17-I21 PolarHBondContact O-N 3.3Å; Y17-Y52 HydrophobicContact CE2-CD1 4.36Å; Y17-Y52 WeakPolarHBondContact OH-CD1 3.31Å; Y17-I56 HydrophobicContact CE1-CD1 4.44Å; Y17-I56 HydrophobicContact CE1-CG1 4.38Å; Y17-F60 HydrophobicContact CD2-CE2 4.12Å; Y17-F60 HydrophobicContact CD2-CZ 4.33Å; Y17-F60 HydrophobicContact CE1-CE2 4.34Å; Y17-F60 AromaticContact CE2-CE2 3.67Å; Y17-F60 HydrophobicContact CE2-CE2 3.67Å; Y17-F60 HydrophobicContact CE2-CZ 4.23Å; Y17-F60 AromaticContact CZ-CE2 3.79Å; Y17-F66 AromaticContact CD1-CD1 3.63Å; Y17-F66 HydrophobicContact CD1-CD1 3.63Å; Y17-F66 HydrophobicContact CD1-CE1 4.37Å; Y17-F66 HydrophobicContact CD2-CD1 4.49Å; Y17-F66 HydrophobicContact CE1-CB 4.33Å; Y17-F66 AromaticContact CE1-CD1 3.98Å; Y17-F66 HydrophobicContact CE1-CD1 3.98Å; Y17-F66 AromaticContact CG-CD1 3.9Å; Y17-F66 HydrophobicContact CG-CD1 3.9Å; Y17-F66 HydrophobicContact CG-CE1 4.22Å; Y17-A69 HydrophobicContact CD1-CB 4.38Å |
| 18 | E | 93.5 | Very high | 88.7 | Confident | 33 Ų | 33 | 61.9 Ų | 61.9 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.2 | -50.6 | 174.9 | -171.5 | 167.5 | 153.2 | 0 | 0 | 111.3 | V14 S15 H20 I21 K22 A69 R72 A73 Q76 | V14-E18 WeakPolarHBondContact O-CB 3.25Å; V14-E18 PolarHBondContact O-N 3.23Å; S15-E18 PolarHBondContact O-N 3.34Å; E18-H20 PolarHBondContact O-N 3.2Å; E18-I21 PolarHBondContact O-N 2.91Å; E18-K22 WeakPolarHBondContact O-CB 3.35Å; E18-K22 PolarHBondContact O-N 3.31Å; E18-A69 HydrophobicContact CB-CB 3.98Å; E18-A69 HydrophobicContact CG-CB 4.46Å; E18-R72 WeakPolarHBondContact OE1-CB 3.43Å; E18-R72 IonicContact OE1-NE 3.47Å; E18-R72 PolarHBondContact OE1-NE 2.91Å; E18-R72 IonicContact OE2-CZ 3.27Å; E18-R72 VanDerWaalsContact OE2-CZ 3.27Å; E18-R72 IonicContact OE2-NE 2.9Å; E18-R72 PolarHBondContact OE2-NE 3.44Å; E18-R72 IonicContact OE2-NH2 2.77Å; E18-R72 PolarHBondContact OE2-NH2 3.48Å; E18-A73 HydrophobicContact CG-CB 4.08Å; E18-A73 WeakPolarHBondContact O-CB 3.37Å; E18-Q76 PolarHBondContact OE1-NE2 3.07Å |
| 19 | E | 93.5 | Very high | 89.1 | Confident | 85 Ų | 85 | 55 Ų | 55 | 40% | 0.397 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 179.8 | -173.8 | 57.6 | -145.8 | 0 | 0 | 112 | S15 I21 K22 Q23 | S15-E19 PolarHBondContact O-N 2.84Å; E19-I21 PolarHBondContact O-N 3.5Å; E19-K22 PolarHBondContact O-N 2.95Å; E19-Q23 WeakPolarHBondContact O-CG 3.24Å; E19-Q23 PolarHBondContact O-N 3.34Å; E19-Q23 PolarHBondContact OE1-NE2 3.28Å |
| 20 | H | 94.1 | Very high | 89.2 | Confident | 104 Ų | 104 | 57.9 Ų | 57.9 | 48% | 0.481 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.7 | -47 | 177.1 | 178.4 | 66.7 | 0 | 0 | 0 | 112 | R16 Y17 E18 K22 Q23 V24 | R16-H20 WeakPolarHBondContact O-CB 3.39Å; R16-H20 PolarHBondContact O-N 3.14Å; Y17-H20 PolarHBondContact O-N 2.93Å; E18-H20 PolarHBondContact O-N 3.2Å; H20-K22 VanDerWaalsContact C-N 3.32Å; H20-K22 PolarHBondContact O-N 2.83Å; H20-Q23 PolarHBondContact O-N 3.26Å; H20-V24 WeakPolarHBondContact O-CG2 3.43Å; H20-V24 PolarHBondContact O-N 3.12Å |
| 21 | I | 92.6 | Very high | 89 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 179.1 | -68.5 | 160.9 | 0 | 0 | 0 | 110.2 | Y17 E18 E19 Q23 V24 C25 Y52 F70 A73 | Y17-I21 HydrophobicContact CD1-CD1 3.51Å; Y17-I21 HydrophobicContact CD2-CD1 4.32Å; Y17-I21 HydrophobicContact CE1-CD1 3.16Å; Y17-I21 HydrophobicContact CE1-CG1 4.39Å; Y17-I21 HydrophobicContact CE2-CD1 4.01Å; Y17-I21 HydrophobicContact CG-CD1 4.09Å; Y17-I21 VanDerWaalsContact CZ-CD1 3.43Å; Y17-I21 WeakPolarHBondContact O-CG1 3.4Å; Y17-I21 PolarHBondContact O-N 3.3Å; E18-I21 PolarHBondContact O-N 2.91Å; E19-I21 PolarHBondContact O-N 3.5Å; I21-Q23 VanDerWaalsContact C-N 3.35Å; I21-Q23 PolarHBondContact O-N 3.29Å; I21-V24 PolarHBondContact O-N 2.98Å; I21-C25 PolarHBondContact O-N 3.39Å; I21-C25 PolarHBondContact O-SG 2.87Å; I21-Y52 HydrophobicContact CD1-CD1 4.21Å; I21-Y52 HydrophobicContact CD1-CE1 4.44Å; I21-Y52 HydrophobicContact CD1-CG 4.46Å; I21-Y52 HydrophobicContact CG1-CD1 3.95Å; I21-Y52 HydrophobicContact CG1-CD2 4.38Å; I21-Y52 HydrophobicContact CG1-CE1 3.73Å; I21-Y52 HydrophobicContact CG1-CE2 4.18Å; I21-Y52 HydrophobicContact CG1-CG 4.27Å; I21-Y52 HydrophobicContact CG2-CD2 4.45Å; I21-Y52 HydrophobicContact CG2-CE2 4.34Å; I21-F70 HydrophobicContact CD1-CB 4.08Å; I21-F70 HydrophobicContact CD1-CD2 3.85Å; I21-F70 HydrophobicContact CD1-CG 4.48Å; I21-F70 HydrophobicContact CG2-CD2 4.01Å; I21-F70 HydrophobicContact CG2-CE2 4.29Å; I21-A73 HydrophobicContact CB-CB 3.75Å; I21-A73 HydrophobicContact CG2-CB 3.6Å |
| 22 | K | 91.2 | Very high | 88.7 | Confident | 44 Ų | 44 | 61.3 Ų | 61.3 | 19% | 0.191 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.8 | -48.4 | 178.3 | -179.7 | -176.9 | 178.4 | 174.3 | 0 | 111.5 | E18 E19 H20 V24 C25 L26 A73 Q76 | E18-K22 WeakPolarHBondContact O-CB 3.35Å; E18-K22 PolarHBondContact O-N 3.31Å; E19-K22 PolarHBondContact O-N 2.95Å; H20-K22 VanDerWaalsContact C-N 3.32Å; H20-K22 PolarHBondContact O-N 2.83Å; K22-V24 VanDerWaalsContact C-N 3.34Å; K22-V24 PolarHBondContact O-N 3.43Å; K22-C25 PolarHBondContact O-N 3.19Å; K22-L26 HydrophobicContact CG-CD1 4.04Å; K22-L26 WeakPolarHBondContact O-CB 3.39Å; K22-L26 WeakPolarHBondContact O-CG 3.47Å; K22-L26 PolarHBondContact O-N 2.91Å; K22-A73 HydrophobicContact CB-CB 4.26Å; K22-Q76 HydrophobicContact CD-CB 4.38Å |
| 23 | Q | 91.4 | Very high | 88.2 | Confident | 102 Ų | 102 | 61.7 Ų | 61.7 | 48% | 0.477 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 177.9 | -67.4 | -61.5 | -24.8 | 0 | 0 | 112 | E19 H20 I21 L26 S27 | E19-Q23 WeakPolarHBondContact O-CG 3.24Å; E19-Q23 PolarHBondContact O-N 3.34Å; E19-Q23 PolarHBondContact OE1-NE2 3.28Å; H20-Q23 PolarHBondContact O-N 3.26Å; I21-Q23 VanDerWaalsContact C-N 3.35Å; I21-Q23 PolarHBondContact O-N 3.29Å; Q23-L26 PolarHBondContact O-N 2.98Å; Q23-S27 WeakPolarHBondContact O-CB 3.2Å; Q23-S27 PolarHBondContact O-N 2.75Å; Q23-S27 PolarHBondContact O-OG 3.01Å |
| 24 | V | 91.7 | Very high | 87.6 | Confident | 28 Ų | 28 | 62 Ų | 62 | 17% | 0.17 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 175.5 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | H20 I21 K22 L26 S27 R28 Y52 | H20-V24 WeakPolarHBondContact O-CG2 3.43Å; H20-V24 PolarHBondContact O-N 3.12Å; I21-V24 PolarHBondContact O-N 2.98Å; K22-V24 VanDerWaalsContact C-N 3.34Å; K22-V24 PolarHBondContact O-N 3.43Å; V24-L26 PolarHBondContact O-N 3.17Å; V24-S27 PolarHBondContact O-N 3.49Å; V24-S27 PolarHBondContact O-OG 3.24Å; V24-R28 WeakPolarHBondContact O-CG 3.37Å; V24-R28 PolarHBondContact O-N 2.95Å; V24-Y52 HydrophobicContact CG1-CE2 4.4Å |
| 25 | C | 88.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.4 | -50.1 | 176.1 | -73.8 | 0 | 0 | 0 | 0 | 111.7 | I21 K22 S27 R28 I29 I48 A77 | I21-C25 PolarHBondContact O-N 3.39Å; I21-C25 PolarHBondContact O-SG 2.87Å; K22-C25 PolarHBondContact O-N 3.19Å; C25-S27 VanDerWaalsContact C-N 3.35Å; C25-S27 PolarHBondContact O-N 3.42Å; C25-R28 PolarHBondContact O-N 2.86Å; C25-I29 WeakPolarHBondContact O-CD1 3.27Å; C25-I29 WeakPolarHBondContact O-CG1 3.47Å; C25-I29 PolarHBondContact O-N 3.31Å; C25-I48 HydrophobicContact CB-CD1 4.44Å; C25-A77 HydrophobicContact CB-CB 3.28Å |
| 26 | L | 87.7 | Confident | 86.2 | Confident | 33 Ų | 33 | 71.8 Ų | 71.8 | 17% | 0.173 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 179.8 | -73.7 | 172.2 | 0 | 0 | 0 | 111.6 | K22 Q23 V24 R28 I29 S30 A77 Y80 | K22-L26 HydrophobicContact CG-CD1 4.04Å; K22-L26 WeakPolarHBondContact O-CB 3.39Å; K22-L26 WeakPolarHBondContact O-CG 3.47Å; K22-L26 PolarHBondContact O-N 2.91Å; Q23-L26 PolarHBondContact O-N 2.98Å; V24-L26 PolarHBondContact O-N 3.17Å; L26-R28 VanDerWaalsContact C-N 3.31Å; L26-R28 PolarHBondContact O-N 2.89Å; L26-I29 PolarHBondContact O-N 3.11Å; L26-S30 WeakPolarHBondContact O-CB 3.4Å; L26-S30 PolarHBondContact O-N 3Å; L26-S30 PolarHBondContact O-OG 3.09Å; L26-S30 VanDerWaalsContact O-OG 3.08Å; L26-A77 HydrophobicContact CD2-CB 4.2Å; L26-A77 HydrophobicContact CG-CB 4.08Å; L26-Y80 HydrophobicContact CD2-CD1 3.8Å; L26-Y80 HydrophobicContact CD2-CD2 4.49Å; L26-Y80 HydrophobicContact CD2-CG 3.75Å |
| 27 | S | 87.8 | Confident | 85.9 | Confident | 54 Ų | 54 | 64.3 Ų | 64.3 | 38% | 0.378 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.2 | -38.6 | 178 | 70.3 | 0 | 0 | 0 | 0 | 112.5 | Q23 V24 C25 S30 H31 | Q23-S27 WeakPolarHBondContact O-CB 3.2Å; Q23-S27 PolarHBondContact O-N 2.75Å; Q23-S27 PolarHBondContact O-OG 3.01Å; V24-S27 PolarHBondContact O-N 3.49Å; V24-S27 PolarHBondContact O-OG 3.24Å; C25-S27 VanDerWaalsContact C-N 3.35Å; C25-S27 PolarHBondContact O-N 3.42Å; S27-S30 PolarHBondContact O-OG 3.23Å; S27-H31 PolarHBondContact O-CD2 3.29Å |
| 28 | R | 85.9 | Confident | 85.5 | Confident | 96 Ų | 96 | 63.8 Ų | 63.8 | 36% | 0.362 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -72.7 | -36 | 179.1 | -66 | -141.2 | -177.3 | -172.6 | -6.8 | 112.5 | V24 C25 L26 L32 E44 I48 | V24-R28 WeakPolarHBondContact O-CG 3.37Å; V24-R28 PolarHBondContact O-N 2.95Å; C25-R28 PolarHBondContact O-N 2.86Å; L26-R28 VanDerWaalsContact C-N 3.31Å; L26-R28 PolarHBondContact O-N 2.89Å; R28-L32 WeakPolarHBondContact O-CG 3.4Å; R28-E44 WeakPolarHBondContact CD-OE2 3.37Å; R28-E44 IonicContact CZ-OE2 3.87Å; R28-E44 IonicContact NE-OE2 2.94Å; R28-E44 IonicContact NH1-OE2 3.07Å; R28-E44 PolarHBondContact NH1-OE2 2.81Å; R28-I48 HydrophobicContact CB-CD1 4.17Å; R28-I48 HydrophobicContact CG-CD1 4.2Å |
| 29 | I | 83.8 | Confident | 85.2 | Confident | 32 Ų | 32 | 62.9 Ų | 62.9 | 16% | 0.164 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -76.8 | -40.8 | -178.7 | -62.7 | 164.7 | 0 | 0 | 0 | 111.2 | C25 L26 H31 L32 F41 I45 I78 | C25-I29 WeakPolarHBondContact O-CD1 3.27Å; C25-I29 WeakPolarHBondContact O-CG1 3.47Å; C25-I29 PolarHBondContact O-N 3.31Å; L26-I29 PolarHBondContact O-N 3.11Å; I29-H31 VanDerWaalsContact C-N 3.25Å; I29-H31 PolarHBondContact O-N 2.88Å; I29-L32 HydrophobicContact CG2-CD1 4.44Å; I29-L32 WeakPolarHBondContact O-CB 3.48Å; I29-L32 VanDerWaalsContact O-CG 3.28Å; I29-L32 WeakPolarHBondContact O-CG 3.15Å; I29-L32 PolarHBondContact O-N 2.97Å; I29-L32 VanDerWaalsContact O-N 3.15Å; I29-F41 HydrophobicContact CD1-CE2 4.46Å; I29-F41 HydrophobicContact CG1-CE2 4.3Å; I29-F41 HydrophobicContact CG2-CD2 4.47Å; I29-F41 HydrophobicContact CG2-CE2 4.32Å; I29-I45 HydrophobicContact CD1-CD1 3.76Å; I29-I45 HydrophobicContact CG1-CD1 3.94Å; I29-I78 HydrophobicContact CD1-CG1 4.14Å |
| 30 | S | 80.2 | Confident | 84.9 | Confident | 75 Ų | 75 | 61.3 Ų | 61.3 | 52% | 0.524 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.6 | -23.4 | -175.4 | 65.1 | 0 | 0 | 0 | 0 | 113.8 | L26 S27 L32 | L26-S30 WeakPolarHBondContact O-CB 3.4Å; L26-S30 PolarHBondContact O-N 3Å; L26-S30 PolarHBondContact O-OG 3.09Å; L26-S30 VanDerWaalsContact O-OG 3.08Å; S27-S30 PolarHBondContact O-OG 3.23Å; S30-L32 VanDerWaalsContact C-N 3.31Å |
| 31 | H | 78.4 | Confident | 84.7 | Confident | 149 Ų | 149 | 56.5 Ų | 56.5 | 69% | 0.69 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -2.3 | 176.7 | -65.6 | -43.9 | 0 | 0 | 0 | 114.1 | S27 I29 S33 | S27-H31 PolarHBondContact O-CD2 3.29Å; I29-H31 VanDerWaalsContact C-N 3.25Å; I29-H31 PolarHBondContact O-N 2.88Å; H31-S33 PolarHBondContact O-N 3.22Å |
| 32 | L | 80.1 | Confident | 84.5 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 16% | 0.162 | 32% | 0.315 | C | S | . | . | trans | -74.5 | 115.8 | -176.6 | -60.5 | 174.6 | 0 | 0 | 0 | 111 | R28 I29 S30 V37 T40 F41 E44 | R28-L32 WeakPolarHBondContact O-CG 3.4Å; I29-L32 HydrophobicContact CG2-CD1 4.44Å; I29-L32 WeakPolarHBondContact O-CB 3.48Å; I29-L32 VanDerWaalsContact O-CG 3.28Å; I29-L32 WeakPolarHBondContact O-CG 3.15Å; I29-L32 PolarHBondContact O-N 2.97Å; I29-L32 VanDerWaalsContact O-N 3.15Å; S30-L32 VanDerWaalsContact C-N 3.31Å; L32-V37 HydrophobicContact CB-CG1 4.22Å; L32-T40 HydrophobicContact CD2-CG2 3.51Å; L32-F41 HydrophobicContact CD1-CB 3.77Å; L32-F41 HydrophobicContact CD1-CD2 3.76Å; L32-F41 HydrophobicContact CD1-CG 4.27Å; L32-E44 HydrophobicContact CD2-CG 4.4Å | ||
| 33 | S | 76.1 | Confident | 84.4 | Confident | 108 Ų | 108 | 59.6 Ų | 59.6 | 76% | 0.755 | 33% | 0.33 | S | S | * | . | trans | -144.7 | 157.5 | 174.7 | 60.3 | 0 | 0 | 0 | 0 | 111 | H31 V37 | H31-S33 PolarHBondContact O-N 3.22Å; S33-V37 VanDerWaalsContact CA-CG2 3.46Å | ||
| 34 | G | 76 | Confident | 84.3 | Confident | 61 Ų | 61 | 57.5 Ų | 57.5 | 63% | 0.629 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 109.7 | -174.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | V37 | G34-V37 VanDerWaalsContact N-CG2 3.32Å; G34-V37 WeakPolarHBondContact O-CG2 3.32Å |
| 35 | E | 73.1 | Confident | 84.2 | Confident | 181 Ų | 181 | 56.4 Ų | 56.4 | 85% | 0.846 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -30.1 | -174.2 | -67.5 | -169.8 | 152.1 | 0 | 0 | 113.6 | ||
| 36 | N | 81.7 | Confident | 84.3 | Confident | 103 Ų | 103 | 57 Ų | 57 | 55% | 0.551 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 18.2 | -178.7 | -65.1 | -34.9 | 0 | 0 | 0 | 113.2 | A38 D39 T40 | N36-A38 PolarHBondContact O-N 2.93Å; N36-A38 VanDerWaalsContact O-N 3.08Å; N36-D39 WeakPolarHBondContact O-CB 3.48Å; N36-D39 PolarHBondContact O-N 2.89Å; N36-T40 PolarHBondContact O-N 3.41Å; N36-T40 PolarHBondContact O-OG1 3.3Å |
| 37 | V | 85.1 | Confident | 84.4 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -51.4 | -38.2 | -176.9 | 166 | 0 | 0 | 0 | 0 | 112.7 | L32 S33 G34 D39 F41 W93 | L32-V37 HydrophobicContact CB-CG1 4.22Å; S33-V37 VanDerWaalsContact CA-CG2 3.46Å; G34-V37 VanDerWaalsContact N-CG2 3.32Å; G34-V37 WeakPolarHBondContact O-CG2 3.32Å; V37-D39 VanDerWaalsContact C-N 3.33Å; V37-D39 PolarHBondContact O-N 3.08Å; V37-F41 WeakPolarHBondContact O-CB 2.91Å; V37-F41 PolarHBondContact O-N 3.38Å; V37-W93 HydrophobicContact CG1-CD2 3.94Å; V37-W93 VanDerWaalsContact CG1-CE2 3.48Å; V37-W93 HydrophobicContact CG1-CE3 4.22Å; V37-W93 HydrophobicContact CG1-CH2 3.68Å; V37-W93 HydrophobicContact CG1-CZ2 3.34Å; V37-W93 HydrophobicContact CG1-CZ3 4.11Å |
| 38 | A | 83.9 | Confident | 84.6 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N36 V42 W93 K96 | N36-A38 PolarHBondContact O-N 2.93Å; N36-A38 VanDerWaalsContact O-N 3.08Å; A38-V42 WeakPolarHBondContact O-CG2 3.42Å; A38-V42 PolarHBondContact O-N 2.86Å; A38-W93 HydrophobicContact CB-CB 3.86Å; A38-W93 HydrophobicContact CB-CG 4.09Å; A38-K96 HydrophobicContact CB-CB 4.27Å; A38-K96 HydrophobicContact CB-CD 4.07Å; A38-K96 HydrophobicContact CB-CG 4.35Å |
| 39 | D | 86.3 | Confident | 84.8 | Confident | 15 Ų | 15 | 53.2 Ų | 53.2 | 8% | 0.08 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.7 | -52.4 | 177.5 | -59.1 | -52.7 | 0 | 0 | 0 | 110.4 | N36 V37 F41 V42 E43 Y97 K100 | N36-D39 WeakPolarHBondContact O-CB 3.48Å; N36-D39 PolarHBondContact O-N 2.89Å; V37-D39 VanDerWaalsContact C-N 3.33Å; V37-D39 PolarHBondContact O-N 3.08Å; D39-F41 VanDerWaalsContact C-N 3.25Å; D39-F41 PolarHBondContact O-N 2.91Å; D39-V42 PolarHBondContact O-N 3.15Å; D39-V42 VanDerWaalsContact O-N 3.16Å; D39-E43 WeakPolarHBondContact O-CB 3.38Å; D39-E43 WeakPolarHBondContact O-CG 3.34Å; D39-E43 PolarHBondContact O-N 3.05Å; D39-Y97 HydrophobicContact CB-CD2 4.4Å; D39-Y97 WeakPolarHBondContact OD1-CD2 3.38Å; D39-K100 WeakPolarHBondContact OD1-CD 3.47Å; D39-K100 IonicContact OD1-NZ 3.69Å; D39-K100 PolarHBondContact OD1-NZ 3Å; D39-K100 IonicContact OD2-NZ 2.72Å; D39-K100 PolarHBondContact OD2-NZ 3.46Å |
| 40 | T | 88.6 | Confident | 85.1 | Confident | 52 Ų | 52 | 56.2 Ų | 56.2 | 32% | 0.319 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.9 | -38.9 | -179.9 | -42.3 | 0 | 0 | 0 | 0 | 111 | L32 N36 E43 E44 | L32-T40 HydrophobicContact CD2-CG2 3.51Å; N36-T40 PolarHBondContact O-N 3.41Å; N36-T40 PolarHBondContact O-OG1 3.3Å; T40-E43 PolarHBondContact O-N 3.48Å; T40-E44 HydrophobicContact CG2-CG 4.2Å; T40-E44 VanDerWaalsContact O-CB 3.29Å; T40-E44 WeakPolarHBondContact O-CB 3.27Å; T40-E44 WeakPolarHBondContact O-CG 3.29Å; T40-E44 PolarHBondContact O-N 3.42Å |
| 41 | F | 89.1 | Confident | 85.7 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.009 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.6 | -54 | 174.7 | 173.8 | -104.2 | 0 | 0 | 0 | 111.7 | I29 L32 V37 D39 E43 E44 I45 I78 A90 W93 V127 | I29-F41 HydrophobicContact CD1-CE2 4.46Å; I29-F41 HydrophobicContact CG1-CE2 4.3Å; I29-F41 HydrophobicContact CG2-CD2 4.47Å; I29-F41 HydrophobicContact CG2-CE2 4.32Å; L32-F41 HydrophobicContact CD1-CB 3.77Å; L32-F41 HydrophobicContact CD1-CD2 3.76Å; L32-F41 HydrophobicContact CD1-CG 4.27Å; V37-F41 WeakPolarHBondContact O-CB 2.91Å; V37-F41 PolarHBondContact O-N 3.38Å; D39-F41 VanDerWaalsContact C-N 3.25Å; D39-F41 PolarHBondContact O-N 2.91Å; F41-E43 PolarHBondContact O-N 3.09Å; F41-E44 PolarHBondContact O-N 3.46Å; F41-I45 HydrophobicContact CD2-CG1 4.37Å; F41-I45 HydrophobicContact CE1-CG1 4.47Å; F41-I45 HydrophobicContact CE2-CD1 4.33Å; F41-I45 HydrophobicContact CE2-CG1 4Å; F41-I45 HydrophobicContact CZ-CG1 4.05Å; F41-I45 WeakPolarHBondContact O-CG1 3.27Å; F41-I45 PolarHBondContact O-N 3.44Å; F41-I45 VanDerWaalsContact O-N 3.08Å; F41-I78 HydrophobicContact CZ-CG2 4.29Å; F41-A90 HydrophobicContact CE1-CB 4.22Å; F41-A90 HydrophobicContact CE2-CB 4.44Å; F41-A90 HydrophobicContact CZ-CB 3.75Å; F41-W93 HydrophobicContact CB-CE3 3.94Å; F41-W93 HydrophobicContact CD1-CB 4.13Å; F41-W93 HydrophobicContact CD1-CE3 4.06Å; F41-W93 AromaticContact CD2-CE3 3.76Å; F41-W93 HydrophobicContact CD2-CE3 3.76Å; F41-W93 AromaticContact CD2-CZ3 3.95Å; F41-W93 HydrophobicContact CD2-CZ3 3.95Å; F41-W93 HydrophobicContact CE2-CE3 4.28Å; F41-W93 HydrophobicContact CE2-CZ3 4.44Å; F41-W93 AromaticContact CG-CE3 3.64Å; F41-W93 HydrophobicContact CG-CE3 3.64Å; F41-W93 HydrophobicContact CG-CZ3 4.25Å; F41-V127 HydrophobicContact CE1-CG1 4.42Å |
| 42 | V | 88.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66 | -42.4 | -177.4 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | A38 D39 E44 I45 L46 L94 Y97 V127 | A38-V42 WeakPolarHBondContact O-CG2 3.42Å; A38-V42 PolarHBondContact O-N 2.86Å; D39-V42 PolarHBondContact O-N 3.15Å; D39-V42 VanDerWaalsContact O-N 3.16Å; V42-E44 PolarHBondContact O-N 2.88Å; V42-I45 PolarHBondContact O-N 3.35Å; V42-L46 HydrophobicContact CG1-CD1 3.56Å; V42-L46 HydrophobicContact CG1-CG 4.26Å; V42-L46 WeakPolarHBondContact O-CB 3.44Å; V42-L46 WeakPolarHBondContact O-CD1 3.22Å; V42-L46 WeakPolarHBondContact O-CG 3.42Å; V42-L46 PolarHBondContact O-N 2.91Å; V42-L94 HydrophobicContact CG1-CD1 4.48Å; V42-L94 HydrophobicContact CG2-CD1 3.74Å; V42-Y97 HydrophobicContact CB-CD1 4.04Å; V42-Y97 HydrophobicContact CB-CD2 4.08Å; V42-Y97 HydrophobicContact CB-CE1 4.19Å; V42-Y97 HydrophobicContact CB-CE2 4.23Å; V42-Y97 HydrophobicContact CB-CG 3.96Å; V42-Y97 HydrophobicContact CG1-CD1 3.66Å; V42-Y97 HydrophobicContact CG1-CD2 4.43Å; V42-Y97 HydrophobicContact CG1-CE1 3.51Å; V42-Y97 HydrophobicContact CG1-CE2 4.31Å; V42-Y97 HydrophobicContact CG1-CG 4.11Å; V42-Y97 HydrophobicContact CG2-CD1 3.98Å; V42-Y97 HydrophobicContact CG2-CD2 4.26Å; V42-Y97 HydrophobicContact CG2-CG 3.76Å; V42-V127 HydrophobicContact CG1-CG2 4.35Å |
| 43 | E | 89.1 | Confident | 86.8 | Confident | 110 Ų | 110 | 51.4 Ų | 51.4 | 51% | 0.514 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62 | -42 | 178.2 | -71.9 | 176.2 | -174.8 | 0 | 0 | 112.6 | D39 T40 F41 L46 A47 | D39-E43 WeakPolarHBondContact O-CB 3.38Å; D39-E43 WeakPolarHBondContact O-CG 3.34Å; D39-E43 PolarHBondContact O-N 3.05Å; T40-E43 PolarHBondContact O-N 3.48Å; F41-E43 PolarHBondContact O-N 3.09Å; E43-L46 PolarHBondContact O-N 3.3Å; E43-A47 WeakPolarHBondContact O-CB 3.36Å; E43-A47 PolarHBondContact O-N 3.27Å |
| 44 | E | 89.5 | Confident | 87.6 | Confident | 58 Ų | 58 | 49.1 Ų | 49.1 | 27% | 0.271 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.5 | -43.3 | 178 | -74.3 | -62.4 | 160.8 | 0 | 0 | 112.4 | R28 L32 T40 F41 V42 L46 A47 I48 | R28-E44 WeakPolarHBondContact CD-OE2 3.37Å; R28-E44 IonicContact CZ-OE2 3.87Å; R28-E44 IonicContact NE-OE2 2.94Å; R28-E44 IonicContact NH1-OE2 3.07Å; R28-E44 PolarHBondContact NH1-OE2 2.81Å; L32-E44 HydrophobicContact CD2-CG 4.4Å; T40-E44 HydrophobicContact CG2-CG 4.2Å; T40-E44 VanDerWaalsContact O-CB 3.29Å; T40-E44 WeakPolarHBondContact O-CB 3.27Å; T40-E44 WeakPolarHBondContact O-CG 3.29Å; T40-E44 PolarHBondContact O-N 3.42Å; F41-E44 PolarHBondContact O-N 3.46Å; V42-E44 PolarHBondContact O-N 2.88Å; E44-L46 VanDerWaalsContact C-N 3.28Å; E44-L46 PolarHBondContact O-N 3.17Å; E44-A47 PolarHBondContact O-N 2.9Å; E44-I48 VanDerWaalsContact O-CG1 3.29Å; E44-I48 WeakPolarHBondContact O-CG1 3.44Å; E44-I48 PolarHBondContact O-N 3.46Å |
| 45 | I | 89.6 | Confident | 88.3 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 175.4 | -64.3 | -54.6 | 0 | 0 | 0 | 110.9 | I29 F41 V42 I48 Y49 I78 V127 | I29-I45 HydrophobicContact CD1-CD1 3.76Å; I29-I45 HydrophobicContact CG1-CD1 3.94Å; F41-I45 HydrophobicContact CD2-CG1 4.37Å; F41-I45 HydrophobicContact CE1-CG1 4.47Å; F41-I45 HydrophobicContact CE2-CD1 4.33Å; F41-I45 HydrophobicContact CE2-CG1 4Å; F41-I45 HydrophobicContact CZ-CG1 4.05Å; F41-I45 WeakPolarHBondContact O-CG1 3.27Å; F41-I45 PolarHBondContact O-N 3.44Å; F41-I45 VanDerWaalsContact O-N 3.08Å; V42-I45 PolarHBondContact O-N 3.35Å; I45-I48 PolarHBondContact O-N 3.45Å; I45-Y49 WeakPolarHBondContact O-CB 3.34Å; I45-Y49 PolarHBondContact O-N 2.9Å; I45-I78 HydrophobicContact CD1-CD1 3.92Å; I45-I78 HydrophobicContact CD1-CG1 3.84Å; I45-I78 HydrophobicContact CG1-CD1 4.3Å; I45-I78 HydrophobicContact CG2-CD1 3.97Å; I45-V127 HydrophobicContact CB-CG2 4.39Å; I45-V127 HydrophobicContact CG2-CG1 4.14Å; I45-V127 HydrophobicContact CG2-CG2 3.89Å |
| 46 | L | 89.2 | Confident | 89.2 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.6 | -40.7 | 177.7 | -69.1 | 166.6 | 0 | 0 | 0 | 112.1 | V42 E43 E44 I48 Y49 D50 K123 V127 | V42-L46 HydrophobicContact CG1-CD1 3.56Å; V42-L46 HydrophobicContact CG1-CG 4.26Å; V42-L46 WeakPolarHBondContact O-CB 3.44Å; V42-L46 WeakPolarHBondContact O-CD1 3.22Å; V42-L46 WeakPolarHBondContact O-CG 3.42Å; V42-L46 PolarHBondContact O-N 2.91Å; E43-L46 PolarHBondContact O-N 3.3Å; E44-L46 VanDerWaalsContact C-N 3.28Å; E44-L46 PolarHBondContact O-N 3.17Å; L46-I48 VanDerWaalsContact C-N 3.29Å; L46-I48 PolarHBondContact O-N 2.71Å; L46-Y49 WeakPolarHBondContact O-CB 3.05Å; L46-Y49 PolarHBondContact O-N 2.9Å; L46-Y49 VanDerWaalsContact O-N 3.16Å; L46-D50 PolarHBondContact O-N 2.9Å; L46-K123 HydrophobicContact CD1-CB 3.6Å; L46-K123 HydrophobicContact CD1-CD 3.67Å; L46-K123 HydrophobicContact CD1-CG 4.27Å; L46-K123 HydrophobicContact CD2-CB 3.59Å; L46-K123 HydrophobicContact CD2-CD 4.24Å; L46-K123 HydrophobicContact CD2-CG 4.22Å; L46-K123 HydrophobicContact CG-CB 4.22Å; L46-K123 HydrophobicContact CG-CD 4.45Å; L46-V127 HydrophobicContact CD2-CG2 3.81Å; L46-V127 HydrophobicContact CG-CG2 4.01Å |
| 47 | A | 90.9 | Very high | 89.7 | Confident | 46 Ų | 46 | 42.9 Ų | 42.9 | 38% | 0.38 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.4 | -39.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | E43 E44 K51 | E43-A47 WeakPolarHBondContact O-CB 3.36Å; E43-A47 PolarHBondContact O-N 3.27Å; E44-A47 PolarHBondContact O-N 2.9Å; A47-K51 VanDerWaalsContact O-CB 3.25Å; A47-K51 WeakPolarHBondContact O-CB 3.07Å; A47-K51 PolarHBondContact O-N 2.83Å; A47-K51 VanDerWaalsContact O-N 3.07Å |
| 48 | I | 91.2 | Very high | 90.1 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63 | -48.6 | 172.6 | -71.2 | 171 | 0 | 0 | 0 | 110.2 | C25 R28 E44 I45 L46 D50 K51 Y52 F70 | C25-I48 HydrophobicContact CB-CD1 4.44Å; R28-I48 HydrophobicContact CB-CD1 4.17Å; R28-I48 HydrophobicContact CG-CD1 4.2Å; E44-I48 VanDerWaalsContact O-CG1 3.29Å; E44-I48 WeakPolarHBondContact O-CG1 3.44Å; E44-I48 PolarHBondContact O-N 3.46Å; I45-I48 PolarHBondContact O-N 3.45Å; L46-I48 VanDerWaalsContact C-N 3.29Å; L46-I48 PolarHBondContact O-N 2.71Å; I48-D50 PolarHBondContact O-N 3.27Å; I48-K51 PolarHBondContact O-N 3.43Å; I48-Y52 HydrophobicContact CG2-CD2 3.65Å; I48-Y52 HydrophobicContact CG2-CE2 3.89Å; I48-Y52 VanDerWaalsContact O-CD2 3.23Å; I48-Y52 WeakPolarHBondContact O-CD2 3.15Å; I48-Y52 PolarHBondContact O-N 3.17Å; I48-F70 HydrophobicContact CG2-CE2 4.26Å |
| 49 | Y | 90.8 | Very high | 90.4 | Very high | 55 Ų | 55 | 53.2 Ų | 53.2 | 22% | 0.216 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.7 | -49 | 179.7 | -179.1 | -94.4 | 0 | 0 | 0 | 112.3 | I45 L46 N53 F70 V126 Y130 | I45-Y49 WeakPolarHBondContact O-CB 3.34Å; I45-Y49 PolarHBondContact O-N 2.9Å; L46-Y49 WeakPolarHBondContact O-CB 3.05Å; L46-Y49 PolarHBondContact O-N 2.9Å; L46-Y49 VanDerWaalsContact O-N 3.16Å; Y49-N53 VanDerWaalsContact CD1-ND2 3.34Å; Y49-N53 WeakPolarHBondContact CD1-ND2 3.44Å; Y49-N53 VanDerWaalsContact CD2-ND2 3.34Å; Y49-N53 WeakPolarHBondContact CD2-ND2 3.3Å; Y49-N53 WeakPolarHBondContact CE1-ND2 3.26Å; Y49-N53 WeakPolarHBondContact CE2-ND2 3.35Å; Y49-N53 VanDerWaalsContact O-CB 3.32Å; Y49-N53 WeakPolarHBondContact O-CB 3.49Å; Y49-N53 PolarHBondContact O-N 3.36Å; Y49-N53 PolarHBondContact O-ND2 3.01Å; Y49-N53 VanDerWaalsContact O-ND2 3.09Å; Y49-N53 PolarHBondContact OH-ND2 2.97Å; Y49-F70 AromaticContact CD2-CE1 3.78Å; Y49-F70 HydrophobicContact CD2-CE1 3.78Å; Y49-F70 AromaticContact CD2-CZ 3.93Å; Y49-F70 HydrophobicContact CD2-CZ 3.93Å; Y49-F70 HydrophobicContact CE2-CE1 4.21Å; Y49-V126 HydrophobicContact CD1-CG1 4.02Å; Y49-V126 HydrophobicContact CD2-CG1 3.7Å; Y49-V126 HydrophobicContact CE1-CG1 3.8Å; Y49-V126 HydrophobicContact CE2-CG1 3.49Å; Y49-V126 VanDerWaalsContact CE2-CG1 3.49Å; Y49-V126 HydrophobicContact CG-CG1 3.97Å; Y49-Y130 AromaticContact CD2-CE2 3.96Å; Y49-Y130 HydrophobicContact CD2-CE2 3.96Å; Y49-Y130 HydrophobicContact CE2-CE2 4.17Å; Y49-Y130 WeakPolarHBondContact CE2-OH 3.39Å |
| 50 | D | 90.8 | Very high | 90.5 | Very high | 94 Ų | 94 | 53.6 Ų | 53.6 | 50% | 0.503 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | -179.6 | -69.7 | -18.9 | 0 | 0 | 0 | 111.3 | L46 I48 C54 | L46-D50 PolarHBondContact O-N 2.9Å; I48-D50 PolarHBondContact O-N 3.27Å; D50-C54 VanDerWaalsContact O-CB 3.27Å; D50-C54 WeakPolarHBondContact O-CB 3.32Å; D50-C54 PolarHBondContact O-N 3.19Å; D50-C54 VanDerWaalsContact O-N 3.08Å |
| 51 | K | 92.8 | Very high | 90.5 | Very high | 115 Ų | 115 | 60.2 Ų | 60.2 | 50% | 0.5 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.7 | -50.9 | 178.6 | -179.9 | -175 | 175.7 | -171.3 | 0 | 111.9 | A47 I48 Q55 | A47-K51 VanDerWaalsContact O-CB 3.25Å; A47-K51 WeakPolarHBondContact O-CB 3.07Å; A47-K51 PolarHBondContact O-N 2.83Å; A47-K51 VanDerWaalsContact O-N 3.07Å; I48-K51 PolarHBondContact O-N 3.43Å; K51-Q55 PolarHBondContact O-N 3.37Å |
| 52 | Y | 92.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 62.2 Ų | 62.2 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -79.4 | -30.1 | -173.3 | -74 | -67.1 | 0 | 0 | 0 | 112.9 | Y17 I21 V24 I48 Q55 I56 F70 | Y17-Y52 HydrophobicContact CE2-CD1 4.36Å; Y17-Y52 WeakPolarHBondContact OH-CD1 3.31Å; I21-Y52 HydrophobicContact CD1-CD1 4.21Å; I21-Y52 HydrophobicContact CD1-CE1 4.44Å; I21-Y52 HydrophobicContact CD1-CG 4.46Å; I21-Y52 HydrophobicContact CG1-CD1 3.95Å; I21-Y52 HydrophobicContact CG1-CD2 4.38Å; I21-Y52 HydrophobicContact CG1-CE1 3.73Å; I21-Y52 HydrophobicContact CG1-CE2 4.18Å; I21-Y52 HydrophobicContact CG1-CG 4.27Å; I21-Y52 HydrophobicContact CG2-CD2 4.45Å; I21-Y52 HydrophobicContact CG2-CE2 4.34Å; V24-Y52 HydrophobicContact CG1-CE2 4.4Å; I48-Y52 HydrophobicContact CG2-CD2 3.65Å; I48-Y52 HydrophobicContact CG2-CE2 3.89Å; I48-Y52 VanDerWaalsContact O-CD2 3.23Å; I48-Y52 WeakPolarHBondContact O-CD2 3.15Å; I48-Y52 PolarHBondContact O-N 3.17Å; Y52-Q55 PolarHBondContact O-N 3.03Å; Y52-I56 WeakPolarHBondContact O-CB 3.34Å; Y52-I56 WeakPolarHBondContact O-CD1 3.22Å; Y52-I56 WeakPolarHBondContact O-CG1 3.32Å; Y52-I56 PolarHBondContact O-N 3.4Å; Y52-F70 VanDerWaalsContact CB-CE2 3.48Å; Y52-F70 HydrophobicContact CD2-CD2 4.34Å; Y52-F70 AromaticContact CD2-CE2 3.95Å; Y52-F70 HydrophobicContact CD2-CE2 3.95Å; Y52-F70 HydrophobicContact CG-CD2 4.08Å; Y52-F70 HydrophobicContact CG-CE2 4.03Å |
| 53 | N | 88.9 | Confident | 90.3 | Very high | 37 Ų | 37 | 63.9 Ų | 63.9 | 20% | 0.198 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 169.8 | -79.6 | -41.9 | 0 | 0 | 0 | 111.9 | Y49 Q55 I56 E57 | Y49-N53 VanDerWaalsContact CD1-ND2 3.34Å; Y49-N53 WeakPolarHBondContact CD1-ND2 3.44Å; Y49-N53 VanDerWaalsContact CD2-ND2 3.34Å; Y49-N53 WeakPolarHBondContact CD2-ND2 3.3Å; Y49-N53 WeakPolarHBondContact CE1-ND2 3.26Å; Y49-N53 WeakPolarHBondContact CE2-ND2 3.35Å; Y49-N53 VanDerWaalsContact O-CB 3.32Å; Y49-N53 WeakPolarHBondContact O-CB 3.49Å; Y49-N53 PolarHBondContact O-N 3.36Å; Y49-N53 PolarHBondContact O-ND2 3.01Å; Y49-N53 VanDerWaalsContact O-ND2 3.09Å; Y49-N53 PolarHBondContact OH-ND2 2.97Å; N53-Q55 VanDerWaalsContact C-N 3.3Å; N53-Q55 PolarHBondContact O-N 3.13Å; N53-I56 PolarHBondContact O-N 3.17Å; N53-I56 VanDerWaalsContact O-N 3.15Å; N53-E57 PolarHBondContact O-N 3.42Å |
| 54 | C | 92.9 | Very high | 90.4 | Very high | 59 Ų | 59 | 65 Ų | 65 | 40% | 0.399 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.3 | -46.1 | 173.4 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | D50 I56 E57 E58 | D50-C54 VanDerWaalsContact O-CB 3.27Å; D50-C54 WeakPolarHBondContact O-CB 3.32Å; D50-C54 PolarHBondContact O-N 3.19Å; D50-C54 VanDerWaalsContact O-N 3.08Å; C54-I56 VanDerWaalsContact C-N 3.34Å; C54-I56 PolarHBondContact O-N 2.77Å; C54-E57 PolarHBondContact O-N 3.47Å; C54-E58 WeakPolarHBondContact O-CB 3.39Å; C54-E58 WeakPolarHBondContact O-CG 3.36Å; C54-E58 PolarHBondContact O-N 3.48Å |
| 55 | Q | 91.4 | Very high | 90.4 | Very high | 64 Ų | 64 | 65.1 Ų | 65.1 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.2 | -39.8 | 175.9 | -172.3 | 175.3 | -6.4 | 0 | 0 | 112.9 | K51 Y52 N53 V59 F60 | K51-Q55 PolarHBondContact O-N 3.37Å; Y52-Q55 PolarHBondContact O-N 3.03Å; N53-Q55 VanDerWaalsContact C-N 3.3Å; N53-Q55 PolarHBondContact O-N 3.13Å; Q55-V59 HydrophobicContact CG-CB 4.42Å; Q55-V59 HydrophobicContact CG-CG2 4.04Å; Q55-V59 VanDerWaalsContact O-CB 3.22Å; Q55-V59 WeakPolarHBondContact O-CB 3.46Å; Q55-V59 PolarHBondContact O-N 2.9Å; Q55-F60 HydrophobicContact CG-CE2 4.45Å |
| 56 | I | 91.6 | Very high | 90.5 | Very high | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.2 | -41 | 178.4 | -70 | 161.1 | 0 | 0 | 0 | 111.4 | Y17 Y52 N53 C54 F60 K61 G62 F66 F70 | Y17-I56 HydrophobicContact CE1-CD1 4.44Å; Y17-I56 HydrophobicContact CE1-CG1 4.38Å; Y52-I56 WeakPolarHBondContact O-CB 3.34Å; Y52-I56 WeakPolarHBondContact O-CD1 3.22Å; Y52-I56 WeakPolarHBondContact O-CG1 3.32Å; Y52-I56 PolarHBondContact O-N 3.4Å; N53-I56 PolarHBondContact O-N 3.17Å; N53-I56 VanDerWaalsContact O-N 3.15Å; C54-I56 VanDerWaalsContact C-N 3.34Å; C54-I56 PolarHBondContact O-N 2.77Å; I56-F60 HydrophobicContact CG1-CD2 4.19Å; I56-F60 CarbonylContact O-C 3.27Å; I56-F60 VanDerWaalsContact O-C 3.27Å; I56-F60 WeakPolarHBondContact O-CA 3.49Å; I56-F60 WeakPolarHBondContact O-CB 3.43Å; I56-F60 PolarHBondContact O-N 2.9Å; I56-K61 PolarHBondContact O-N 2.84Å; I56-K61 VanDerWaalsContact O-N 3.1Å; I56-G62 PolarHBondContact O-N 3.16Å; I56-F66 HydrophobicContact CG1-CB 4.28Å; I56-F70 HydrophobicContact CD1-CB 3.78Å; I56-F70 HydrophobicContact CD1-CG 4.11Å |
| 57 | E | 92 | Very high | 90.6 | Very high | 146 Ų | 146 | 66.6 Ų | 66.6 | 68% | 0.682 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -68.8 | -50.3 | 177.1 | -71.9 | -165.5 | 171.2 | 0 | 0 | 111.8 | N53 C54 K61 | N53-E57 PolarHBondContact O-N 3.42Å; C54-E57 PolarHBondContact O-N 3.47Å; E57-K61 VanDerWaalsContact O-CA 3.25Å; E57-K61 WeakPolarHBondContact O-CA 3.15Å; E57-K61 PolarHBondContact O-N 3.29Å |
| 58 | E | 93.5 | Very high | 90.6 | Very high | 149 Ų | 149 | 65.3 Ų | 65.3 | 70% | 0.696 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -74.9 | -48.1 | -173.8 | -67.5 | -172.7 | 164.5 | 0 | 0 | 112.9 | C54 | C54-E58 WeakPolarHBondContact O-CB 3.39Å; C54-E58 WeakPolarHBondContact O-CG 3.36Å; C54-E58 PolarHBondContact O-N 3.48Å |
| 59 | V | 90.2 | Very high | 90.7 | Very high | 89 Ų | 89 | 65.1 Ų | 65.1 | 54% | 0.539 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -41.5 | -171.7 | -174.9 | 0 | 0 | 0 | 0 | 111.2 | Q55 | Q55-V59 HydrophobicContact CG-CB 4.42Å; Q55-V59 HydrophobicContact CG-CG2 4.04Å; Q55-V59 VanDerWaalsContact O-CB 3.22Å; Q55-V59 WeakPolarHBondContact O-CB 3.46Å; Q55-V59 PolarHBondContact O-N 2.9Å |
| 60 | F | 88 | Confident | 90.8 | Very high | 23 Ų | 23 | 62.5 Ų | 62.5 | 10% | 0.101 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 1.3 | -174.6 | -53.2 | -47.4 | 0 | 0 | 0 | 113.6 | M1 Y17 Q55 I56 G62 H63 F66 | M1-F60 HydrophobicContact CE-CB 3.82Å; M1-F60 HydrophobicContact CE-CD1 3.24Å; M1-F60 HydrophobicContact CE-CE1 4.08Å; M1-F60 HydrophobicContact CE-CG 3.86Å; Y17-F60 HydrophobicContact CD2-CE2 4.12Å; Y17-F60 HydrophobicContact CD2-CZ 4.33Å; Y17-F60 HydrophobicContact CE1-CE2 4.34Å; Y17-F60 AromaticContact CE2-CE2 3.67Å; Y17-F60 HydrophobicContact CE2-CE2 3.67Å; Y17-F60 HydrophobicContact CE2-CZ 4.23Å; Y17-F60 AromaticContact CZ-CE2 3.79Å; Q55-F60 HydrophobicContact CG-CE2 4.45Å; I56-F60 HydrophobicContact CG1-CD2 4.19Å; I56-F60 CarbonylContact O-C 3.27Å; I56-F60 VanDerWaalsContact O-C 3.27Å; I56-F60 WeakPolarHBondContact O-CA 3.49Å; I56-F60 WeakPolarHBondContact O-CB 3.43Å; I56-F60 PolarHBondContact O-N 2.9Å; F60-G62 PolarHBondContact O-N 3.46Å; F60-H63 HydrophobicContact CB-CB 4.41Å; F60-H63 WeakPolarHBondContact O-CB 3.32Å; F60-H63 PolarHBondContact O-N 2.84Å; F60-F66 HydrophobicContact CB-CB 4.47Å; F60-F66 HydrophobicContact CB-CD2 4.19Å; F60-F66 HydrophobicContact CB-CG 4.23Å; F60-F66 HydrophobicContact CD1-CD1 4.33Å; F60-F66 HydrophobicContact CD1-CE1 4.19Å; F60-F66 HydrophobicContact CD1-CE2 4.36Å; F60-F66 HydrophobicContact CD1-CG 4.49Å; F60-F66 HydrophobicContact CD1-CZ 4.2Å; F60-F66 HydrophobicContact CD2-CB 3.95Å; F60-F66 AromaticContact CD2-CD1 3.55Å; F60-F66 HydrophobicContact CD2-CD1 3.55Å; F60-F66 HydrophobicContact CD2-CD2 4.37Å; F60-F66 HydrophobicContact CD2-CE1 4.15Å; F60-F66 AromaticContact CD2-CG 3.68Å; F60-F66 HydrophobicContact CD2-CG 3.68Å; F60-F66 HydrophobicContact CE1-CD1 4.23Å; F60-F66 AromaticContact CE1-CE1 3.84Å; F60-F66 HydrophobicContact CE1-CE1 3.84Å; F60-F66 HydrophobicContact CE1-CZ 4.09Å; F60-F66 AromaticContact CE2-CD1 3.48Å; F60-F66 HydrophobicContact CE2-CD1 3.48Å; F60-F66 VanDerWaalsContact CE2-CD1 3.48Å; F60-F66 AromaticContact CE2-CE1 3.85Å; F60-F66 HydrophobicContact CE2-CE1 3.85Å; F60-F66 HydrophobicContact CE2-CG 4.12Å; F60-F66 HydrophobicContact CG-CB 4.4Å; F60-F66 AromaticContact CG-CD1 3.99Å; F60-F66 HydrophobicContact CG-CD1 3.99Å; F60-F66 HydrophobicContact CG-CD2 4.12Å; F60-F66 HydrophobicContact CG-CE1 4.31Å; F60-F66 HydrophobicContact CG-CE2 4.42Å; F60-F66 AromaticContact CG-CG 3.89Å; F60-F66 HydrophobicContact CG-CG 3.89Å; F60-F66 AromaticContact CZ-CD1 3.82Å; F60-F66 HydrophobicContact CZ-CD1 3.82Å; F60-F66 AromaticContact CZ-CE1 3.66Å; F60-F66 HydrophobicContact CZ-CE1 3.66Å; F60-F66 HydrophobicContact CZ-CZ 4.38Å |
| 61 | K | 88.7 | Confident | 90.9 | Very high | 191 Ų | 191 | 60.7 Ų | 60.7 | 83% | 0.83 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 37.7 | 178.9 | -58.4 | -171.4 | 176.7 | -170.4 | 0 | 113 | I56 E57 H63 | I56-K61 PolarHBondContact O-N 2.84Å; I56-K61 VanDerWaalsContact O-N 3.1Å; E57-K61 VanDerWaalsContact O-CA 3.25Å; E57-K61 WeakPolarHBondContact O-CA 3.15Å; E57-K61 PolarHBondContact O-N 3.29Å; K61-H63 VanDerWaalsContact C-N 3.35Å; K61-H63 PolarHBondContact O-N 3.29Å |
| 62 | G | 85.5 | Confident | 90.8 | Very high | 43 Ų | 43 | 60.7 Ų | 60.7 | 44% | 0.443 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 29.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | I56 F60 H64 | I56-G62 PolarHBondContact O-N 3.16Å; F60-G62 PolarHBondContact O-N 3.46Å; G62-H64 PolarHBondContact O-N 2.91Å |
| 63 | H | 88.4 | Confident | 90.8 | Very high | 36 Ų | 36 | 60.5 Ų | 60.5 | 17% | 0.167 | 31% | 0.311 | C | S | . | . | trans | -65.7 | 119.6 | -179.1 | -161.4 | -74.8 | 0 | 0 | 0 | 111.8 | F60 K61 D65 F66 T67 | F60-H63 HydrophobicContact CB-CB 4.41Å; F60-H63 WeakPolarHBondContact O-CB 3.32Å; F60-H63 PolarHBondContact O-N 2.84Å; K61-H63 VanDerWaalsContact C-N 3.35Å; K61-H63 PolarHBondContact O-N 3.29Å; H63-D65 VanDerWaalsContact C-N 3.28Å; H63-D65 IonicContact CE1-OD2 3.17Å; H63-D65 PolarHBondContact CE1-OD2 3.32Å; H63-D65 PolarHBondContact ND1-N 3.04Å; H63-D65 IonicContact ND1-OD2 3.62Å; H63-D65 PolarHBondContact O-N 3.08Å; H63-D65 VanDerWaalsContact O-N 3.14Å; H63-F66 HydrophobicContact CB-CD2 3.97Å; H63-F66 PolarHBondContact O-N 2.95Å; H63-T67 PolarHBondContact O-N 2.94Å | ||
| 64 | H | 89.8 | Confident | 90.9 | Very high | 133 Ų | 133 | 59 Ų | 59 | 62% | 0.616 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -51 | -38.5 | -175 | 63 | -73.1 | 0 | 0 | 0 | 114.9 | G62 F66 T67 G68 | G62-H64 PolarHBondContact O-N 2.91Å; H64-F66 VanDerWaalsContact C-N 3.3Å; H64-F66 PolarHBondContact O-N 2.93Å; H64-T67 PolarHBondContact O-N 3.5Å; H64-G68 PolarHBondContact O-N 3.35Å |
| 65 | D | 89.8 | Confident | 90.7 | Very high | 60 Ų | 60 | 58.9 Ų | 58.9 | 32% | 0.321 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.4 | -37.2 | 177.6 | -66.9 | -29 | 0 | 0 | 0 | 113.5 | V14 H63 A69 | V14-D65 HydrophobicContact CG1-CB 4.41Å; V14-D65 HydrophobicContact CG2-CB 3.92Å; H63-D65 VanDerWaalsContact C-N 3.28Å; H63-D65 IonicContact CE1-OD2 3.17Å; H63-D65 PolarHBondContact CE1-OD2 3.32Å; H63-D65 PolarHBondContact ND1-N 3.04Å; H63-D65 IonicContact ND1-OD2 3.62Å; H63-D65 PolarHBondContact O-N 3.08Å; H63-D65 VanDerWaalsContact O-N 3.14Å; D65-A69 WeakPolarHBondContact O-CB 3.46Å; D65-A69 PolarHBondContact O-N 3.47Å |
| 66 | F | 91.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -75.4 | -36.1 | 178.7 | -72.6 | -90.7 | 0 | 0 | 0 | 111.4 | M1 L10 L13 V14 Y17 I56 F60 H63 H64 A69 F70 | M1-F66 HydrophobicContact CE-CD2 3.95Å; M1-F66 HydrophobicContact CE-CE2 3.28Å; M1-F66 HydrophobicContact CE-CZ 3.78Å; M1-F66 HydrophobicContact SD-CE2 4.41Å; L10-F66 HydrophobicContact CD1-CE2 4.13Å; L10-F66 HydrophobicContact CD1-CZ 4.48Å; L13-F66 HydrophobicContact CD2-CE1 4.24Å; L13-F66 HydrophobicContact CD2-CZ 3.75Å; L13-F66 HydrophobicContact CG-CE1 4.1Å; L13-F66 HydrophobicContact CG-CZ 3.96Å; V14-F66 HydrophobicContact CG2-CD1 4.42Å; V14-F66 HydrophobicContact CG2-CD2 4.14Å; V14-F66 HydrophobicContact CG2-CE1 4.05Å; V14-F66 HydrophobicContact CG2-CE2 3.74Å; V14-F66 HydrophobicContact CG2-CG 4.46Å; V14-F66 HydrophobicContact CG2-CZ 3.69Å; Y17-F66 AromaticContact CD1-CD1 3.63Å; Y17-F66 HydrophobicContact CD1-CD1 3.63Å; Y17-F66 HydrophobicContact CD1-CE1 4.37Å; Y17-F66 HydrophobicContact CD2-CD1 4.49Å; Y17-F66 HydrophobicContact CE1-CB 4.33Å; Y17-F66 AromaticContact CE1-CD1 3.98Å; Y17-F66 HydrophobicContact CE1-CD1 3.98Å; Y17-F66 AromaticContact CG-CD1 3.9Å; Y17-F66 HydrophobicContact CG-CD1 3.9Å; Y17-F66 HydrophobicContact CG-CE1 4.22Å; I56-F66 HydrophobicContact CG1-CB 4.28Å; F60-F66 HydrophobicContact CB-CB 4.47Å; F60-F66 HydrophobicContact CB-CD2 4.19Å; F60-F66 HydrophobicContact CB-CG 4.23Å; F60-F66 HydrophobicContact CD1-CD1 4.33Å; F60-F66 HydrophobicContact CD1-CE1 4.19Å; F60-F66 HydrophobicContact CD1-CE2 4.36Å; F60-F66 HydrophobicContact CD1-CG 4.49Å; F60-F66 HydrophobicContact CD1-CZ 4.2Å; F60-F66 HydrophobicContact CD2-CB 3.95Å; F60-F66 AromaticContact CD2-CD1 3.55Å; F60-F66 HydrophobicContact CD2-CD1 3.55Å; F60-F66 HydrophobicContact CD2-CD2 4.37Å; F60-F66 HydrophobicContact CD2-CE1 4.15Å; F60-F66 AromaticContact CD2-CG 3.68Å; F60-F66 HydrophobicContact CD2-CG 3.68Å; F60-F66 HydrophobicContact CE1-CD1 4.23Å; F60-F66 AromaticContact CE1-CE1 3.84Å; F60-F66 HydrophobicContact CE1-CE1 3.84Å; F60-F66 HydrophobicContact CE1-CZ 4.09Å; F60-F66 AromaticContact CE2-CD1 3.48Å; F60-F66 HydrophobicContact CE2-CD1 3.48Å; F60-F66 VanDerWaalsContact CE2-CD1 3.48Å; F60-F66 AromaticContact CE2-CE1 3.85Å; F60-F66 HydrophobicContact CE2-CE1 3.85Å; F60-F66 HydrophobicContact CE2-CG 4.12Å; F60-F66 HydrophobicContact CG-CB 4.4Å; F60-F66 AromaticContact CG-CD1 3.99Å; F60-F66 HydrophobicContact CG-CD1 3.99Å; F60-F66 HydrophobicContact CG-CD2 4.12Å; F60-F66 HydrophobicContact CG-CE1 4.31Å; F60-F66 HydrophobicContact CG-CE2 4.42Å; F60-F66 AromaticContact CG-CG 3.89Å; F60-F66 HydrophobicContact CG-CG 3.89Å; F60-F66 AromaticContact CZ-CD1 3.82Å; F60-F66 HydrophobicContact CZ-CD1 3.82Å; F60-F66 AromaticContact CZ-CE1 3.66Å; F60-F66 HydrophobicContact CZ-CE1 3.66Å; F60-F66 HydrophobicContact CZ-CZ 4.38Å; H63-F66 HydrophobicContact CB-CD2 3.97Å; H63-F66 PolarHBondContact O-N 2.95Å; H64-F66 VanDerWaalsContact C-N 3.3Å; H64-F66 PolarHBondContact O-N 2.93Å; F66-A69 PolarHBondContact O-N 2.96Å; F66-F70 WeakPolarHBondContact O-CB 3.39Å; F66-F70 PolarHBondContact O-N 2.92Å |
| 67 | T | 91.7 | Very high | 90.3 | Very high | 47 Ų | 47 | 59.5 Ų | 59.5 | 29% | 0.288 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 170.3 | -49.2 | 0 | 0 | 0 | 0 | 110.8 | H63 H64 A69 F70 D71 | H63-T67 PolarHBondContact O-N 2.94Å; H64-T67 PolarHBondContact O-N 3.5Å; T67-A69 PolarHBondContact O-N 3.48Å; T67-F70 PolarHBondContact O-N 3Å; T67-D71 PolarHBondContact O-N 3.03Å |
| 68 | G | 92.1 | Very high | 90.1 | Very high | 20 Ų | 20 | 53 Ų | 53 | 21% | 0.206 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.4 | -38.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H64 R72 | H64-G68 PolarHBondContact O-N 3.35Å; G68-R72 WeakPolarHBondContact O-CB 3.39Å; G68-R72 WeakPolarHBondContact O-CG 3.42Å; G68-R72 PolarHBondContact O-N 3.48Å; G68-R72 PolarHBondContact O-NH1 2.94Å |
| 69 | A | 92.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.9 | -43 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V14 Y17 E18 D65 F66 T67 R72 A73 | V14-A69 HydrophobicContact CG1-CB 3.69Å; Y17-A69 HydrophobicContact CD1-CB 4.38Å; E18-A69 HydrophobicContact CB-CB 3.98Å; E18-A69 HydrophobicContact CG-CB 4.46Å; D65-A69 WeakPolarHBondContact O-CB 3.46Å; D65-A69 PolarHBondContact O-N 3.47Å; F66-A69 PolarHBondContact O-N 2.96Å; T67-A69 PolarHBondContact O-N 3.48Å; A69-R72 PolarHBondContact O-N 3.34Å; A69-A73 WeakPolarHBondContact O-CB 3.33Å; A69-A73 PolarHBondContact O-N 3.38Å |
| 70 | F | 93.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.5 | -48.7 | 174.5 | 170.4 | -97.8 | 0 | 0 | 0 | 111.7 | I21 I48 Y49 Y52 I56 F66 T67 R72 A73 C74 | I21-F70 HydrophobicContact CD1-CB 4.08Å; I21-F70 HydrophobicContact CD1-CD2 3.85Å; I21-F70 HydrophobicContact CD1-CG 4.48Å; I21-F70 HydrophobicContact CG2-CD2 4.01Å; I21-F70 HydrophobicContact CG2-CE2 4.29Å; I48-F70 HydrophobicContact CG2-CE2 4.26Å; Y49-F70 AromaticContact CD2-CE1 3.78Å; Y49-F70 HydrophobicContact CD2-CE1 3.78Å; Y49-F70 AromaticContact CD2-CZ 3.93Å; Y49-F70 HydrophobicContact CD2-CZ 3.93Å; Y49-F70 HydrophobicContact CE2-CE1 4.21Å; Y52-F70 VanDerWaalsContact CB-CE2 3.48Å; Y52-F70 HydrophobicContact CD2-CD2 4.34Å; Y52-F70 AromaticContact CD2-CE2 3.95Å; Y52-F70 HydrophobicContact CD2-CE2 3.95Å; Y52-F70 HydrophobicContact CG-CD2 4.08Å; Y52-F70 HydrophobicContact CG-CE2 4.03Å; I56-F70 HydrophobicContact CD1-CB 3.78Å; I56-F70 HydrophobicContact CD1-CG 4.11Å; F66-F70 WeakPolarHBondContact O-CB 3.39Å; F66-F70 PolarHBondContact O-N 2.92Å; T67-F70 PolarHBondContact O-N 3Å; F70-R72 VanDerWaalsContact C-N 3.33Å; F70-R72 PolarHBondContact O-N 3.43Å; F70-A73 PolarHBondContact O-N 3.13Å; F70-C74 WeakPolarHBondContact CE2-SG 3.31Å; F70-C74 WeakPolarHBondContact CZ-SG 3.23Å; F70-C74 PolarHBondContact O-N 3.11Å |
| 71 | D | 91.7 | Very high | 88.1 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 179.7 | -74.1 | -27.7 | 0 | 0 | 0 | 112 | T67 L75 Y130 | T67-D71 PolarHBondContact O-N 3.03Å; D71-L75 WeakPolarHBondContact O-CB 3.34Å; D71-L75 WeakPolarHBondContact O-CG 3.37Å; D71-L75 PolarHBondContact O-N 2.68Å; D71-Y130 HydrophobicContact CB-CE1 4.17Å; D71-Y130 VanDerWaalsContact OD1-CE1 3.26Å; D71-Y130 WeakPolarHBondContact OD1-CE1 3.26Å; D71-Y130 PolarHBondContact OD1-OH 3.38Å |
| 72 | R | 91.6 | Very high | 86.5 | Confident | 114 Ų | 114 | 49.8 Ų | 49.8 | 43% | 0.43 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.7 | -42.1 | 175.1 | -74.7 | -171 | -56.4 | -90.5 | 0.6 | 112.4 | E18 G68 A69 F70 L75 Q76 | E18-R72 WeakPolarHBondContact OE1-CB 3.43Å; E18-R72 IonicContact OE1-NE 3.47Å; E18-R72 PolarHBondContact OE1-NE 2.91Å; E18-R72 IonicContact OE2-CZ 3.27Å; E18-R72 VanDerWaalsContact OE2-CZ 3.27Å; E18-R72 IonicContact OE2-NE 2.9Å; E18-R72 PolarHBondContact OE2-NE 3.44Å; E18-R72 IonicContact OE2-NH2 2.77Å; E18-R72 PolarHBondContact OE2-NH2 3.48Å; G68-R72 WeakPolarHBondContact O-CB 3.39Å; G68-R72 WeakPolarHBondContact O-CG 3.42Å; G68-R72 PolarHBondContact O-N 3.48Å; G68-R72 PolarHBondContact O-NH1 2.94Å; A69-R72 PolarHBondContact O-N 3.34Å; F70-R72 VanDerWaalsContact C-N 3.33Å; F70-R72 PolarHBondContact O-N 3.43Å; R72-L75 PolarHBondContact O-N 2.92Å; R72-Q76 WeakPolarHBondContact O-CG 3.36Å; R72-Q76 PolarHBondContact O-N 3.45Å |
| 73 | A | 92.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E18 I21 K22 A69 F70 Q76 A77 | E18-A73 HydrophobicContact CG-CB 4.08Å; E18-A73 WeakPolarHBondContact O-CB 3.37Å; I21-A73 HydrophobicContact CB-CB 3.75Å; I21-A73 HydrophobicContact CG2-CB 3.6Å; K22-A73 HydrophobicContact CB-CB 4.26Å; A69-A73 WeakPolarHBondContact O-CB 3.33Å; A69-A73 PolarHBondContact O-N 3.38Å; F70-A73 PolarHBondContact O-N 3.13Å; A73-Q76 PolarHBondContact O-N 2.93Å; A73-A77 WeakPolarHBondContact O-CB 3.49Å; A73-A77 PolarHBondContact O-N 3.39Å |
| 74 | C | 90.2 | Very high | 82.6 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 3% | 0.027 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 176.8 | -71.8 | 0 | 0 | 0 | 0 | 112.2 | F70 Q76 A77 I78 Y130 | F70-C74 WeakPolarHBondContact CE2-SG 3.31Å; F70-C74 WeakPolarHBondContact CZ-SG 3.23Å; F70-C74 PolarHBondContact O-N 3.11Å; C74-Q76 VanDerWaalsContact C-N 3.35Å; C74-Q76 PolarHBondContact O-N 2.86Å; C74-A77 PolarHBondContact O-N 2.99Å; C74-I78 HydrophobicContact CB-CD1 4.47Å; C74-I78 WeakPolarHBondContact O-CB 3.3Å; C74-I78 WeakPolarHBondContact O-CG1 3.47Å; C74-I78 PolarHBondContact O-N 2.98Å; C74-Y130 HydrophobicContact CB-CD1 3.68Å; C74-Y130 HydrophobicContact CB-CE1 3.98Å; C74-Y130 HydrophobicContact CB-CG 3.99Å |
| 75 | L | 89.2 | Confident | 80.7 | Confident | 57 Ų | 57 | 56.2 Ų | 56.2 | 30% | 0.298 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.9 | -45.9 | 174.3 | -83.6 | 163.7 | 0 | 0 | 0 | 111.7 | D71 R72 N79 Y130 | D71-L75 WeakPolarHBondContact O-CB 3.34Å; D71-L75 WeakPolarHBondContact O-CG 3.37Å; D71-L75 PolarHBondContact O-N 2.68Å; R72-L75 PolarHBondContact O-N 2.92Å; L75-N79 WeakPolarHBondContact O-CB 3.5Å; L75-N79 PolarHBondContact O-N 3.4Å; L75-N79 PolarHBondContact O-ND2 3.28Å; L75-Y130 HydrophobicContact CG-CD1 4.24Å |
| 76 | Q | 87.8 | Confident | 78.9 | Confident | 79 Ų | 79 | 56.7 Ų | 56.7 | 37% | 0.369 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.2 | -39.3 | -180 | -73.3 | 178.7 | 29.9 | 0 | 0 | 112.5 | E18 K22 R72 A73 C74 Y80 | E18-Q76 PolarHBondContact OE1-NE2 3.07Å; K22-Q76 HydrophobicContact CD-CB 4.38Å; R72-Q76 WeakPolarHBondContact O-CG 3.36Å; R72-Q76 PolarHBondContact O-N 3.45Å; A73-Q76 PolarHBondContact O-N 2.93Å; C74-Q76 VanDerWaalsContact C-N 3.35Å; C74-Q76 PolarHBondContact O-N 2.86Å; Q76-Y80 WeakPolarHBondContact O-CB 3.46Å; Q76-Y80 PolarHBondContact O-N 3.42Å |
| 77 | A | 87.1 | Confident | 77.1 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -75.6 | -42.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | C25 L26 A73 C74 Y80 | C25-A77 HydrophobicContact CB-CB 3.28Å; L26-A77 HydrophobicContact CD2-CB 4.2Å; L26-A77 HydrophobicContact CG-CB 4.08Å; A73-A77 WeakPolarHBondContact O-CB 3.49Å; A73-A77 PolarHBondContact O-N 3.39Å; C74-A77 PolarHBondContact O-N 2.99Å; A77-Y80 VanDerWaalsContact O-CB 3.3Å; A77-Y80 WeakPolarHBondContact O-CB 3.27Å; A77-Y80 PolarHBondContact O-N 3.43Å |
| 78 | I | 86.7 | Confident | 75.6 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71 | -36.7 | -178.5 | -70.2 | 166.1 | 0 | 0 | 0 | 111.4 | I29 F41 I45 C74 Y80 A90 Y130 I131 | I29-I78 HydrophobicContact CD1-CG1 4.14Å; F41-I78 HydrophobicContact CZ-CG2 4.29Å; I45-I78 HydrophobicContact CD1-CD1 3.92Å; I45-I78 HydrophobicContact CD1-CG1 3.84Å; I45-I78 HydrophobicContact CG1-CD1 4.3Å; I45-I78 HydrophobicContact CG2-CD1 3.97Å; C74-I78 HydrophobicContact CB-CD1 4.47Å; C74-I78 WeakPolarHBondContact O-CB 3.3Å; C74-I78 WeakPolarHBondContact O-CG1 3.47Å; C74-I78 PolarHBondContact O-N 2.98Å; I78-Y80 VanDerWaalsContact C-N 3.27Å; I78-A90 HydrophobicContact CG2-CB 4.19Å; I78-Y130 VanDerWaalsContact CD1-CB 3.49Å; I78-Y130 HydrophobicContact CD1-CG 4.23Å; I78-I131 HydrophobicContact CG2-CG1 4.01Å |
| 79 | N | 84.8 | Confident | 74.9 | Confident | 27 Ų | 27 | 58.5 Ų | 58.5 | 14% | 0.144 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 13.3 | 178.4 | -55.2 | -69.3 | 0 | 0 | 0 | 112.4 | L75 K81 Y130 D132 | L75-N79 WeakPolarHBondContact O-CB 3.5Å; L75-N79 PolarHBondContact O-N 3.4Å; L75-N79 PolarHBondContact O-ND2 3.28Å; N79-K81 PolarHBondContact O-N 3.14Å; N79-K81 VanDerWaalsContact O-N 3.16Å; N79-Y130 PolarHBondContact ND2-O 3.29Å; N79-D132 PolarHBondContact OD1-N 3.14Å |
| 80 | Y | 79.7 | Confident | 74.5 | Confident | 116 Ų | 116 | 58.7 Ų | 58.7 | 46% | 0.455 | 29% | 0.291 | S | S | . | . | trans | -65.1 | 117 | 178 | -171.6 | -107.9 | 0 | 0 | 0 | 110 | L26 Q76 A77 I78 E82 | L26-Y80 HydrophobicContact CD2-CD1 3.8Å; L26-Y80 HydrophobicContact CD2-CD2 4.49Å; L26-Y80 HydrophobicContact CD2-CG 3.75Å; Q76-Y80 WeakPolarHBondContact O-CB 3.46Å; Q76-Y80 PolarHBondContact O-N 3.42Å; A77-Y80 VanDerWaalsContact O-CB 3.3Å; A77-Y80 WeakPolarHBondContact O-CB 3.27Å; A77-Y80 PolarHBondContact O-N 3.43Å; I78-Y80 VanDerWaalsContact C-N 3.27Å; Y80-E82 HydrophobicContact CD1-CB 4.29Å; Y80-E82 HydrophobicContact CE1-CB 3.97Å; Y80-E82 HydrophobicContact CE1-CG 3.89Å; Y80-E82 PolarHBondContact O-N 3.36Å | ||
| 81 | K | 65.4 | Low | 74.2 | Confident | 130 Ų | 130 | 58.8 Ų | 58.8 | 57% | 0.565 | 29% | 0.292 | S | S | * | . | trans | -91.6 | 90.9 | 172.8 | -75.4 | 173.6 | -176.3 | -178.1 | 0 | 107.3 | N79 S87 E133 | N79-K81 PolarHBondContact O-N 3.14Å; N79-K81 VanDerWaalsContact O-N 3.16Å; K81-S87 WeakPolarHBondContact CE-OG 3.47Å; K81-S87 WeakPolarHBondContact CG-OG 3.4Å; K81-E133 IonicContact NZ-OE1 2.6Å | ||
| 82 | E | 54.8 | Low | 73.8 | Confident | 112 Ų | 112 | 56.9 Ų | 56.9 | 52% | 0.523 | 28% | 0.281 | S | S | . | . | trans | -62.7 | 149.2 | 161.3 | -140.7 | 161.2 | -136.1 | 0 | 0 | 107.9 | Y80 T84 G85 | Y80-E82 HydrophobicContact CD1-CB 4.29Å; Y80-E82 HydrophobicContact CE1-CB 3.97Å; Y80-E82 HydrophobicContact CE1-CG 3.89Å; Y80-E82 PolarHBondContact O-N 3.36Å; E82-T84 CarbonylContact O-C 3.55Å; E82-T84 PolarHBondContact O-N 3.37Å; E82-G85 PolarHBondContact O-N 2.97Å | ||
| 83 | E | 48.5 | Very low | 73.5 | Confident | 208 Ų | 208 | 53.7 Ų | 53.7 | 97% | 0.972 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -52.7 | -17.6 | -172.7 | -68.4 | -174.7 | 159 | 0 | 0 | 113.5 | G85 | E83-G85 PolarHBondContact O-N 3.48Š|
| 84 | T | 44.4 | Very low | 73.4 | Confident | 96 Ų | 96 | 53.7 Ų | 53.7 | 59% | 0.589 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -89.3 | 59.8 | 170.5 | 54.7 | 0 | 0 | 0 | 0 | 112.9 | E82 D86 | E82-T84 CarbonylContact O-C 3.55Å; E82-T84 PolarHBondContact O-N 3.37Å; T84-D86 WeakPolarHBondContact O-CB 3.43Å; T84-D86 PolarHBondContact O-N 2.85Å |
| 85 | G | 49.8 | Very low | 73.4 | Confident | 43 Ų | 43 | 53.5 Ų | 53.5 | 44% | 0.443 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 52.8 | 0.1 | 153.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | E82 E83 S87 | E82-G85 PolarHBondContact O-N 2.97Å; E83-G85 PolarHBondContact O-N 3.48Å; G85-S87 PolarHBondContact O-N 3.02Å |
| 86 | D | 52.4 | Low | 73.4 | Confident | 70 Ų | 70 | 54.2 Ų | 54.2 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -9.3 | -155.2 | -94.1 | 7.5 | 0 | 0 | 0 | 115.2 | T84 L88 K89 | T84-D86 WeakPolarHBondContact O-CB 3.43Å; T84-D86 PolarHBondContact O-N 2.85Å; D86-L88 PolarHBondContact O-N 3.43Å; D86-K89 HydrophobicContact CB-CD 4.29Å; D86-K89 VanDerWaalsContact O-CB 3.26Å; D86-K89 WeakPolarHBondContact O-CB 3.42Å; D86-K89 WeakPolarHBondContact O-CG 3.37Å; D86-K89 PolarHBondContact O-N 3.32Å; D86-K89 WeakPolarHBondContact OD1-CE 3.33Å; D86-K89 IonicContact OD1-NZ 3.83Å; D86-K89 PolarHBondContact OD1-NZ 2.98Å; D86-K89 IonicContact OD2-NZ 2.76Å; D86-K89 PolarHBondContact OD2-NZ 3.12Å |
| 87 | S | 52.8 | Low | 73.4 | Confident | 14 Ų | 14 | 51 Ų | 51 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -25.2 | 179 | 75.9 | 0 | 0 | 0 | 0 | 113.6 | K81 G85 K89 A90 | K81-S87 WeakPolarHBondContact CE-OG 3.47Å; K81-S87 WeakPolarHBondContact CG-OG 3.4Å; G85-S87 PolarHBondContact O-N 3.02Å; S87-K89 PolarHBondContact O-N 3.37Å; S87-A90 PolarHBondContact O-N 3.24Å |
| 88 | L | 60.1 | Low | 73.6 | Confident | 34 Ų | 34 | 50.9 Ų | 50.9 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.2 | -23.9 | 176.8 | -73.4 | 147.5 | 0 | 0 | 0 | 111.2 | D86 L136 | D86-L88 PolarHBondContact O-N 3.43Å; L88-L136 HydrophobicContact CB-CD2 4.05Å; L88-L136 HydrophobicContact CD2-CD2 3.65Å; L88-L136 HydrophobicContact CG-CD2 4.44Å; L88-L136 WeakPolarHBondContact O-CD2 3.47Å |
| 89 | K | 76.5 | Confident | 73.7 | Confident | 58 Ų | 58 | 51 Ų | 51 | 25% | 0.252 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -74.4 | -27.4 | -175.5 | -61 | -178.2 | 176.9 | 164.3 | 0 | 113.4 | D86 S87 A91 E92 W93 | D86-K89 HydrophobicContact CB-CD 4.29Å; D86-K89 VanDerWaalsContact O-CB 3.26Å; D86-K89 WeakPolarHBondContact O-CB 3.42Å; D86-K89 WeakPolarHBondContact O-CG 3.37Å; D86-K89 PolarHBondContact O-N 3.32Å; D86-K89 WeakPolarHBondContact OD1-CE 3.33Å; D86-K89 IonicContact OD1-NZ 3.83Å; D86-K89 PolarHBondContact OD1-NZ 2.98Å; D86-K89 IonicContact OD2-NZ 2.76Å; D86-K89 PolarHBondContact OD2-NZ 3.12Å; S87-K89 PolarHBondContact O-N 3.37Å; K89-A91 PolarHBondContact O-N 3.34Å; K89-E92 PolarHBondContact O-N 2.97Å; K89-W93 HydrophobicContact CB-CD2 3.97Å; K89-W93 HydrophobicContact CB-CE3 4.31Å; K89-W93 HydrophobicContact CB-CH2 3.97Å; K89-W93 HydrophobicContact CB-CZ2 3.57Å; K89-W93 HydrophobicContact CB-CZ3 4.32Å; K89-W93 HydrophobicContact CD-CH2 4.22Å; K89-W93 HydrophobicContact CD-CZ2 3.6Å; K89-W93 HydrophobicContact CG-CZ2 4.21Å; K89-W93 VanDerWaalsContact O-CB 3.3Å; K89-W93 WeakPolarHBondContact O-CB 3.41Å; K89-W93 PolarHBondContact O-N 2.81Å |
| 90 | A | 84.5 | Confident | 73.9 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 3% | 0.033 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.7 | -44.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F41 I78 S87 L94 | F41-A90 HydrophobicContact CE1-CB 4.22Å; F41-A90 HydrophobicContact CE2-CB 4.44Å; F41-A90 HydrophobicContact CZ-CB 3.75Å; I78-A90 HydrophobicContact CG2-CB 4.19Å; S87-A90 PolarHBondContact O-N 3.24Å; A90-L94 WeakPolarHBondContact O-CB 3.46Å; A90-L94 PolarHBondContact O-N 3.39Å |
| 91 | A | 86.9 | Confident | 74.2 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | K89 A95 I131 L136 F137 | K89-A91 PolarHBondContact O-N 3.34Å; A91-A95 PolarHBondContact O-N 3.29Å; A91-A95 VanDerWaalsContact O-N 3.13Å; A91-I131 HydrophobicContact CB-CG2 3.99Å; A91-L136 HydrophobicContact CB-CB 4.13Å; A91-L136 HydrophobicContact CB-CD2 3.97Å; A91-L136 HydrophobicContact CB-CG 3.99Å; A91-F137 HydrophobicContact CB-CB 4.03Å; A91-F137 WeakPolarHBondContact O-CD2 3.42Å |
| 92 | E | 83.1 | Confident | 75.4 | Confident | 17 Ų | 17 | 44.2 Ų | 44.2 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69 | -45.5 | 177.9 | -173.5 | -175.1 | 146.9 | 0 | 0 | 111.9 | K89 L94 A95 K96 A380 G383 | K89-E92 PolarHBondContact O-N 2.97Å; E92-L94 VanDerWaalsContact C-N 3.31Å; E92-L94 PolarHBondContact O-N 3.24Å; E92-A95 WeakPolarHBondContact O-CB 3.47Å; E92-A95 PolarHBondContact O-N 3.36Å; E92-A95 VanDerWaalsContact O-N 3.1Å; E92-K96 WeakPolarHBondContact O-CB 3.35Å; E92-K96 PolarHBondContact O-N 3.15Å; E92-A380 VanDerWaalsContact OE1-O 3.06Å; E92-G383 VanDerWaalsContact OE2-CA 3.29Å; E92-G383 WeakPolarHBondContact OE2-CA 3.43Å |
| 93 | W | 86.5 | Confident | 76.9 | Confident | 46 Ų | 46 | 42.8 Ų | 42.8 | 17% | 0.174 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.6 | -43.4 | 176.5 | -70.4 | -14.1 | 0 | 0 | 0 | 111.5 | V37 A38 F41 K89 A95 K96 Y97 | V37-W93 HydrophobicContact CG1-CD2 3.94Å; V37-W93 VanDerWaalsContact CG1-CE2 3.48Å; V37-W93 HydrophobicContact CG1-CE3 4.22Å; V37-W93 HydrophobicContact CG1-CH2 3.68Å; V37-W93 HydrophobicContact CG1-CZ2 3.34Å; V37-W93 HydrophobicContact CG1-CZ3 4.11Å; A38-W93 HydrophobicContact CB-CB 3.86Å; A38-W93 HydrophobicContact CB-CG 4.09Å; F41-W93 HydrophobicContact CB-CE3 3.94Å; F41-W93 HydrophobicContact CD1-CB 4.13Å; F41-W93 HydrophobicContact CD1-CE3 4.06Å; F41-W93 AromaticContact CD2-CE3 3.76Å; F41-W93 HydrophobicContact CD2-CE3 3.76Å; F41-W93 AromaticContact CD2-CZ3 3.95Å; F41-W93 HydrophobicContact CD2-CZ3 3.95Å; F41-W93 HydrophobicContact CE2-CE3 4.28Å; F41-W93 HydrophobicContact CE2-CZ3 4.44Å; F41-W93 AromaticContact CG-CE3 3.64Å; F41-W93 HydrophobicContact CG-CE3 3.64Å; F41-W93 HydrophobicContact CG-CZ3 4.25Å; K89-W93 HydrophobicContact CB-CD2 3.97Å; K89-W93 HydrophobicContact CB-CE3 4.31Å; K89-W93 HydrophobicContact CB-CH2 3.97Å; K89-W93 HydrophobicContact CB-CZ2 3.57Å; K89-W93 HydrophobicContact CB-CZ3 4.32Å; K89-W93 HydrophobicContact CD-CH2 4.22Å; K89-W93 HydrophobicContact CD-CZ2 3.6Å; K89-W93 HydrophobicContact CG-CZ2 4.21Å; K89-W93 VanDerWaalsContact O-CB 3.3Å; K89-W93 WeakPolarHBondContact O-CB 3.41Å; K89-W93 PolarHBondContact O-N 2.81Å; W93-A95 VanDerWaalsContact C-N 3.34Å; W93-A95 PolarHBondContact O-N 3.15Å; W93-K96 PolarHBondContact O-N 3.23Å; W93-Y97 WeakPolarHBondContact O-CB 3.47Å; W93-Y97 PolarHBondContact O-N 3.27Å |
| 94 | L | 90.6 | Very high | 78.2 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63 | -41 | 175.1 | -171.9 | 66.3 | 0 | 0 | 0 | 111.9 | V42 A90 E92 Y97 A98 T124 V127 L128 I131 F137 | V42-L94 HydrophobicContact CG1-CD1 4.48Å; V42-L94 HydrophobicContact CG2-CD1 3.74Å; A90-L94 WeakPolarHBondContact O-CB 3.46Å; A90-L94 PolarHBondContact O-N 3.39Å; E92-L94 VanDerWaalsContact C-N 3.31Å; E92-L94 PolarHBondContact O-N 3.24Å; L94-Y97 PolarHBondContact O-N 3.08Å; L94-A98 WeakPolarHBondContact O-CB 3.44Å; L94-A98 PolarHBondContact O-N 2.95Å; L94-T124 HydrophobicContact CD1-CG2 3.58Å; L94-T124 HydrophobicContact CD2-CG2 4.31Å; L94-T124 HydrophobicContact CG-CG2 3.8Å; L94-V127 HydrophobicContact CD1-CB 3.89Å; L94-V127 HydrophobicContact CD1-CG1 3.91Å; L94-V127 HydrophobicContact CD2-CB 4.35Å; L94-V127 HydrophobicContact CD2-CG1 4.26Å; L94-L128 HydrophobicContact CD2-CB 3.8Å; L94-L128 HydrophobicContact CD2-CD1 4.01Å; L94-L128 HydrophobicContact CD2-CG 4.49Å; L94-I131 HydrophobicContact CB-CD1 4.09Å; L94-I131 HydrophobicContact CD2-CD1 3.59Å; L94-I131 HydrophobicContact CG-CD1 4.46Å; L94-F137 HydrophobicContact CB-CD2 4.14Å; L94-F137 HydrophobicContact CB-CE2 4.21Å; L94-F137 HydrophobicContact CD2-CD2 4.05Å; L94-F137 HydrophobicContact CD2-CE2 3.95Å; L94-F137 HydrophobicContact CG-CD2 4.17Å; L94-F137 HydrophobicContact CG-CE2 3.85Å |
| 95 | A | 90.2 | Very high | 79.3 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.9 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A91 E92 W93 A98 D99 F137 A140 Y144 | A91-A95 PolarHBondContact O-N 3.29Å; A91-A95 VanDerWaalsContact O-N 3.13Å; E92-A95 WeakPolarHBondContact O-CB 3.47Å; E92-A95 PolarHBondContact O-N 3.36Å; E92-A95 VanDerWaalsContact O-N 3.1Å; W93-A95 VanDerWaalsContact C-N 3.34Å; W93-A95 PolarHBondContact O-N 3.15Å; A95-A98 PolarHBondContact O-N 3.37Å; A95-D99 PolarHBondContact O-N 3.19Å; A95-F137 HydrophobicContact CB-CD2 3.9Å; A95-F137 HydrophobicContact CB-CE2 3.99Å; A95-A140 HydrophobicContact CB-CB 3.77Å; A95-Y144 HydrophobicContact CB-CD2 4.13Å; A95-Y144 HydrophobicContact CB-CE2 4.15Å |
| 96 | K | 87.6 | Confident | 79.6 | Confident | 72 Ų | 72 | 44.5 Ų | 44.5 | 31% | 0.313 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.5 | -40.6 | 176.9 | -173.6 | 177.1 | -179.5 | -176.6 | 0 | 112 | A38 E92 W93 D99 K100 Y144 | A38-K96 HydrophobicContact CB-CB 4.27Å; A38-K96 HydrophobicContact CB-CD 4.07Å; A38-K96 HydrophobicContact CB-CG 4.35Å; E92-K96 WeakPolarHBondContact O-CB 3.35Å; E92-K96 PolarHBondContact O-N 3.15Å; W93-K96 PolarHBondContact O-N 3.23Å; K96-D99 WeakPolarHBondContact O-CB 3.04Å; K96-D99 PolarHBondContact O-N 2.91Å; K96-K100 PolarHBondContact O-N 3.44Å; K96-Y144 HydrophobicContact CB-CE2 4.23Å |
| 97 | Y | 89.3 | Confident | 79.8 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 5% | 0.051 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -47.1 | 173.3 | -178.1 | -101.3 | 0 | 0 | 0 | 111.2 | D39 V42 W93 L94 D99 K100 L101 | D39-Y97 HydrophobicContact CB-CD2 4.4Å; D39-Y97 WeakPolarHBondContact OD1-CD2 3.38Å; V42-Y97 HydrophobicContact CB-CD1 4.04Å; V42-Y97 HydrophobicContact CB-CD2 4.08Å; V42-Y97 HydrophobicContact CB-CE1 4.19Å; V42-Y97 HydrophobicContact CB-CE2 4.23Å; V42-Y97 HydrophobicContact CB-CG 3.96Å; V42-Y97 HydrophobicContact CG1-CD1 3.66Å; V42-Y97 HydrophobicContact CG1-CD2 4.43Å; V42-Y97 HydrophobicContact CG1-CE1 3.51Å; V42-Y97 HydrophobicContact CG1-CE2 4.31Å; V42-Y97 HydrophobicContact CG1-CG 4.11Å; V42-Y97 HydrophobicContact CG2-CD1 3.98Å; V42-Y97 HydrophobicContact CG2-CD2 4.26Å; V42-Y97 HydrophobicContact CG2-CG 3.76Å; W93-Y97 WeakPolarHBondContact O-CB 3.47Å; W93-Y97 PolarHBondContact O-N 3.27Å; L94-Y97 PolarHBondContact O-N 3.08Å; Y97-D99 VanDerWaalsContact C-N 3.32Å; Y97-D99 PolarHBondContact O-N 3.14Å; Y97-K100 WeakPolarHBondContact O-CB 3.34Å; Y97-K100 PolarHBondContact O-N 3.41Å; Y97-L101 HydrophobicContact CD1-CD1 3.84Å; Y97-L101 HydrophobicContact CD1-CG 4.31Å; Y97-L101 HydrophobicContact CE1-CD1 3.39Å; Y97-L101 HydrophobicContact CE1-CD2 4.47Å; Y97-L101 HydrophobicContact CE1-CG 3.99Å; Y97-L101 WeakPolarHBondContact O-CG 3.47Å; Y97-L101 PolarHBondContact O-N 3.02Å |
| 98 | A | 91 | Very high | 79.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.5 | -37.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L94 A95 L101 L102 T124 Y141 M163 | L94-A98 WeakPolarHBondContact O-CB 3.44Å; L94-A98 PolarHBondContact O-N 2.95Å; A95-A98 PolarHBondContact O-N 3.37Å; A98-L101 PolarHBondContact O-N 3.31Å; A98-L102 PolarHBondContact O-N 3.44Å; A98-T124 HydrophobicContact CB-CG2 4.03Å; A98-Y141 HydrophobicContact CB-CD2 4.09Å; A98-Y141 HydrophobicContact CB-CE2 3.87Å; A98-M163 HydrophobicContact CB-CE 4.28Å |
| 99 | D | 88.9 | Confident | 79.5 | Confident | 10 Ų | 10 | 59.9 Ų | 59.9 | 5% | 0.053 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.3 | -48.9 | 172.8 | -177.4 | 65.1 | 0 | 0 | 0 | 111.7 | A95 K96 Y97 L101 L102 R103 Y144 R148 | A95-D99 PolarHBondContact O-N 3.19Å; K96-D99 WeakPolarHBondContact O-CB 3.04Å; K96-D99 PolarHBondContact O-N 2.91Å; Y97-D99 VanDerWaalsContact C-N 3.32Å; Y97-D99 PolarHBondContact O-N 3.14Å; D99-L101 VanDerWaalsContact C-N 3.32Å; D99-L101 PolarHBondContact O-N 2.94Å; D99-L102 PolarHBondContact O-N 3.16Å; D99-R103 WeakPolarHBondContact O-CB 3.34Å; D99-R103 PolarHBondContact O-N 3.31Å; D99-R103 VanDerWaalsContact O-N 3.09Å; D99-R103 IonicContact OD2-NH1 2.85Å; D99-Y144 HydrophobicContact CB-CD1 4.15Å; D99-Y144 HydrophobicContact CB-CD2 4.23Å; D99-Y144 HydrophobicContact CB-CG 3.86Å; D99-R148 WeakPolarHBondContact OD1-CD 3.12Å; D99-R148 VanDerWaalsContact OD1-CG 3.27Å; D99-R148 WeakPolarHBondContact OD1-CG 3.26Å; D99-R148 IonicContact OD1-CZ 2.79Å; D99-R148 IonicContact OD1-NE 2.77Å; D99-R148 IonicContact OD1-NH1 3.08Å; D99-R148 PolarHBondContact OD1-NH1 2.82Å |
| 100 | K | 88 | Confident | 79 | Confident | 102 Ų | 102 | 61.7 Ų | 61.7 | 44% | 0.443 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.3 | -41.9 | 179.3 | -175 | -171.8 | 175.4 | -172.1 | 0 | 112.1 | D39 K96 Y97 L102 | D39-K100 WeakPolarHBondContact OD1-CD 3.47Å; D39-K100 IonicContact OD1-NZ 3.69Å; D39-K100 PolarHBondContact OD1-NZ 3Å; D39-K100 IonicContact OD2-NZ 2.72Å; D39-K100 PolarHBondContact OD2-NZ 3.46Å; K96-K100 PolarHBondContact O-N 3.44Å; Y97-K100 WeakPolarHBondContact O-CB 3.34Å; Y97-K100 PolarHBondContact O-N 3.41Å; K100-L102 VanDerWaalsContact C-N 3.31Å; K100-L102 PolarHBondContact O-N 3.46Å |
| 101 | L | 87.3 | Confident | 78.4 | Confident | 28 Ų | 28 | 68 Ų | 68 | 15% | 0.147 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.4 | -35.7 | 178.2 | -72.2 | -179.6 | 0 | 0 | 0 | 112.9 | Y97 A98 D99 E120 I155 | Y97-L101 HydrophobicContact CD1-CD1 3.84Å; Y97-L101 HydrophobicContact CD1-CG 4.31Å; Y97-L101 HydrophobicContact CE1-CD1 3.39Å; Y97-L101 HydrophobicContact CE1-CD2 4.47Å; Y97-L101 HydrophobicContact CE1-CG 3.99Å; Y97-L101 WeakPolarHBondContact O-CG 3.47Å; Y97-L101 PolarHBondContact O-N 3.02Å; A98-L101 PolarHBondContact O-N 3.31Å; D99-L101 VanDerWaalsContact C-N 3.32Å; D99-L101 PolarHBondContact O-N 2.94Å; L101-E120 HydrophobicContact CD1-CB 3.68Å; L101-E120 HydrophobicContact CD2-CB 3.97Å; L101-E120 HydrophobicContact CD2-CG 4.34Å; L101-E120 HydrophobicContact CG-CB 4.49Å; L101-I155 WeakPolarHBondContact O-CD1 3.38Å |
| 102 | L | 89.7 | Confident | 77.8 | Confident | 1 Ų | 1 | 75.7 Ų | 75.7 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -95.2 | -0.9 | -173.9 | -70.1 | 167.7 | 0 | 0 | 0 | 114 | A98 D99 K100 L121 S154 I155 A159 M163 | A98-L102 PolarHBondContact O-N 3.44Å; D99-L102 PolarHBondContact O-N 3.16Å; K100-L102 VanDerWaalsContact C-N 3.31Å; K100-L102 PolarHBondContact O-N 3.46Å; L102-L121 HydrophobicContact CD1-CD2 3.99Å; L102-L121 HydrophobicContact CD2-CD1 4.08Å; L102-L121 HydrophobicContact CD2-CD2 3.97Å; L102-L121 HydrophobicContact CG-CD2 3.94Å; L102-S154 WeakPolarHBondContact O-CA 3.36Å; L102-I155 WeakPolarHBondContact O-CG1 3.4Å; L102-I155 PolarHBondContact O-N 2.93Å; L102-A159 HydrophobicContact CD2-CB 4.02Å; L102-M163 HydrophobicContact CD1-CB 4.16Å; L102-M163 HydrophobicContact CD1-CG 4.09Å |
| 103 | R | 86.8 | Confident | 77.1 | Confident | 81 Ų | 81 | 77.4 Ų | 77.4 | 31% | 0.306 | 37% | 0.367 | S | S | . | . | B | Isolated β-bridge | trans | -91.6 | 137.6 | -178.9 | -153.7 | 166.7 | -178.8 | -173.8 | -6.3 | 112.1 | D99 N105 T153 I155 E377 | D99-R103 WeakPolarHBondContact O-CB 3.34Å; D99-R103 PolarHBondContact O-N 3.31Å; D99-R103 VanDerWaalsContact O-N 3.09Å; D99-R103 IonicContact OD2-NH1 2.85Å; R103-N105 PolarHBondContact O-N 2.96Å; R103-T153 CarbonylContact C-O 3.57Å; R103-T153 WeakPolarHBondContact CA-O 3.41Å; R103-I155 VanDerWaalsContact C-CG1 3.48Å; R103-I155 WeakPolarHBondContact O-CG1 3.35Å; R103-E377 IonicContact NH2-OE1 3.72Å |
| 104 | K | 76.5 | Confident | 76.4 | Confident | 124 Ų | 124 | 77.9 Ų | 77.9 | 54% | 0.539 | 37% | 0.372 | S | S | . | . | trans | -63 | 107.1 | 172.6 | -78.9 | 177.3 | 171.7 | 159.3 | 0 | 109.2 | T153 S154 I155 | K104-T153 WeakPolarHBondContact CB-O 3.4Å; K104-T153 PolarHBondContact N-O 2.95Å; K104-S154 WeakPolarHBondContact CD-O 3.42Å; K104-S154 WeakPolarHBondContact CE-O 3.34Å; K104-S154 WeakPolarHBondContact CG-O 3.34Å; K104-S154 PolarHBondContact NZ-O 3.24Å; K104-I155 VanDerWaalsContact CE-O 3.32Å; K104-I155 WeakPolarHBondContact CE-O 3.21Å; K104-I155 HydrophobicContact CG-CG1 4.33Å | ||
| 105 | N | 66.8 | Low | 75.6 | Confident | 90 Ų | 90 | 83.3 Ų | 83.3 | 48% | 0.481 | 40% | 0.398 | S | S | . | . | trans | -77.9 | 146.4 | 164.9 | -79.8 | -19.5 | 0 | 0 | 0 | 109.7 | R103 K107 | R103-N105 PolarHBondContact O-N 2.96Å; N105-K107 PolarHBondContact O-N 3.44Å | ||
| 106 | Q | 56 | Low | 75 | Confident | 169 Ų | 169 | 85.4 Ų | 85.4 | 79% | 0.79 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -63.3 | -8.9 | -177.4 | -73.6 | -167.5 | -17.5 | 0 | 0 | 114.6 | ||
| 107 | K | 56.4 | Low | 74.3 | Confident | 179 Ų | 179 | 82.3 Ų | 82.3 | 78% | 0.778 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -83.7 | 118.9 | 171.2 | -72.2 | -176.1 | 176.2 | -179.2 | 0 | 108.1 | N105 K109 | N105-K107 PolarHBondContact O-N 3.44Å; K107-K109 PolarHBondContact O-N 3.34Å |
| 108 | N | 49.4 | Very low | 73.5 | Confident | 169 Ų | 169 | 83.7 Ų | 83.7 | 90% | 0.904 | 41% | 0.413 | S | S | * | . | trans | -47.2 | 103.1 | 174.9 | -73.5 | -16.1 | 0 | 0 | 0 | 109.6 | ||||
| 109 | K | 57.4 | Low | 72.9 | Confident | 93 Ų | 93 | 91.1 Ų | 91.1 | 40% | 0.404 | 44% | 0.44 | S | S | . | . | trans | -86 | 123.3 | -178.2 | -90.1 | -172.7 | 161.3 | -169.1 | 0 | 108.6 | K107 D113 | K107-K109 PolarHBondContact O-N 3.34Å; K109-D113 WeakPolarHBondContact CA-OD2 3.39Å; K109-D113 HydrophobicContact CB-CB 3.6Å; K109-D113 WeakPolarHBondContact CB-OD2 3.29Å; K109-D113 HydrophobicContact CD-CB 3.66Å; K109-D113 HydrophobicContact CG-CB 3.58Å | ||
| 110 | T | 66.2 | Low | 72.5 | Confident | 96 Ų | 96 | 92.9 Ų | 92.9 | 59% | 0.589 | 45% | 0.449 | S | S | * | . | trans | -70.8 | 165 | 174.4 | 21.7 | 0 | 0 | 0 | 0 | 111 | K112 D113 | T110-K112 PolarHBondContact O-N 3.1Å; T110-D113 PolarHBondContact N-OD2 3.37Å; T110-D113 VanDerWaalsContact O-CB 3.31Å; T110-D113 WeakPolarHBondContact O-CB 3.47Å; T110-D113 PolarHBondContact O-N 3.33Å; T110-D113 PolarHBondContact OG1-OD2 3.39Å; T110-D113 VanDerWaalsContact OG1-OD2 3.07Å | ||
| 111 | D | 71.7 | Confident | 72.3 | Confident | 136 Ų | 136 | 88.1 Ų | 88.1 | 73% | 0.727 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -51.6 | -30.9 | 174.1 | -75.5 | -20.1 | 0 | 0 | 0 | 113.2 | D113 L114 E115 | D111-D113 VanDerWaalsContact C-N 3.26Å; D111-D113 PolarHBondContact O-N 3.01Å; D111-L114 VanDerWaalsContact O-CB 3.3Å; D111-L114 WeakPolarHBondContact O-CB 3.47Å; D111-L114 PolarHBondContact O-N 2.89Å; D111-E115 PolarHBondContact O-N 3.34Å |
| 112 | K | 73.9 | Confident | 72.1 | Confident | 164 Ų | 164 | 89.8 Ų | 89.8 | 71% | 0.713 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -58.1 | -36.1 | 172.9 | -71.2 | -172.9 | 176.6 | -178.2 | 0 | 113.4 | T110 L114 E115 A116 | T110-K112 PolarHBondContact O-N 3.1Å; K112-L114 VanDerWaalsContact C-N 3.3Å; K112-E115 PolarHBondContact O-N 3.12Å; K112-A116 WeakPolarHBondContact O-CB 3.49Å; K112-A116 PolarHBondContact O-N 3.39Å |
| 113 | D | 70 | Confident | 71.7 | Confident | 53 Ų | 53 | 93.1 Ų | 93.1 | 28% | 0.283 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -72.5 | -28.1 | 177.8 | -64 | -67.6 | 0 | 0 | 0 | 111.9 | K109 T110 D111 A117 | K109-D113 WeakPolarHBondContact CA-OD2 3.39Å; K109-D113 HydrophobicContact CB-CB 3.6Å; K109-D113 WeakPolarHBondContact CB-OD2 3.29Å; K109-D113 HydrophobicContact CD-CB 3.66Å; K109-D113 HydrophobicContact CG-CB 3.58Å; T110-D113 PolarHBondContact N-OD2 3.37Å; T110-D113 VanDerWaalsContact O-CB 3.31Å; T110-D113 WeakPolarHBondContact O-CB 3.47Å; T110-D113 PolarHBondContact O-N 3.33Å; T110-D113 PolarHBondContact OG1-OD2 3.39Å; T110-D113 VanDerWaalsContact OG1-OD2 3.07Å; D111-D113 VanDerWaalsContact C-N 3.26Å; D111-D113 PolarHBondContact O-N 3.01Å; D113-A117 VanDerWaalsContact O-CB 3.31Å; D113-A117 WeakPolarHBondContact O-CB 3.45Å; D113-A117 PolarHBondContact O-N 3.34Å |
| 114 | L | 70.4 | Confident | 71.7 | Confident | 55 Ų | 55 | 89.2 Ų | 89.2 | 29% | 0.288 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.3 | -47.1 | 172.8 | -167.3 | 75.7 | 0 | 0 | 0 | 110.2 | D111 K112 A116 A117 V118 I155 A159 | D111-L114 VanDerWaalsContact O-CB 3.3Å; D111-L114 WeakPolarHBondContact O-CB 3.47Å; D111-L114 PolarHBondContact O-N 2.89Å; K112-L114 VanDerWaalsContact C-N 3.3Å; L114-A116 VanDerWaalsContact C-N 3.32Å; L114-A116 PolarHBondContact O-N 3.11Å; L114-A117 PolarHBondContact O-N 3.07Å; L114-V118 VanDerWaalsContact O-CG2 3.3Å; L114-V118 WeakPolarHBondContact O-CG2 3.29Å; L114-V118 PolarHBondContact O-N 3.17Å; L114-I155 HydrophobicContact CD1-CG2 3.66Å; L114-A159 HydrophobicContact CD1-CB 4.09Å |
| 115 | E | 74.7 | Confident | 72.2 | Confident | 115 Ų | 115 | 84 Ų | 84 | 54% | 0.537 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 175 | -71.3 | -173.7 | 173.7 | 0 | 0 | 112.6 | D111 K112 V118 R119 | D111-E115 PolarHBondContact O-N 3.34Å; K112-E115 PolarHBondContact O-N 3.12Å; E115-V118 PolarHBondContact O-N 2.99Å; E115-R119 PolarHBondContact O-N 2.93Å; E115-R119 IonicContact OE2-NH2 3.77Å |
| 116 | A | 76.5 | Confident | 73.3 | Confident | 43 Ų | 43 | 81 Ų | 81 | 36% | 0.355 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62 | -48.9 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | K112 L114 V118 R119 E120 | K112-A116 WeakPolarHBondContact O-CB 3.49Å; K112-A116 PolarHBondContact O-N 3.39Å; L114-A116 VanDerWaalsContact C-N 3.32Å; L114-A116 PolarHBondContact O-N 3.11Å; A116-V118 VanDerWaalsContact C-N 3.33Å; A116-V118 PolarHBondContact O-N 3.39Å; A116-R119 WeakPolarHBondContact O-CB 3.45Å; A116-R119 PolarHBondContact O-N 3.33Å; A116-R119 VanDerWaalsContact O-N 3.14Å; A116-E120 WeakPolarHBondContact O-CG 3.33Å; A116-E120 PolarHBondContact O-N 3.49Å |
| 117 | A | 72.6 | Confident | 74.9 | Confident | 7 Ų | 7 | 73 Ų | 73 | 6% | 0.058 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56.7 | -46.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D113 L114 R119 E120 L121 | D113-A117 VanDerWaalsContact O-CB 3.31Å; D113-A117 WeakPolarHBondContact O-CB 3.45Å; D113-A117 PolarHBondContact O-N 3.34Å; L114-A117 PolarHBondContact O-N 3.07Å; A117-R119 VanDerWaalsContact C-N 3.31Å; A117-R119 PolarHBondContact O-N 3.46Å; A117-E120 PolarHBondContact O-N 2.89Å; A117-E120 VanDerWaalsContact O-N 3.11Å; A117-L121 WeakPolarHBondContact O-CG 3.44Å; A117-L121 PolarHBondContact O-N 3.03Å |
| 118 | V | 73.9 | Confident | 76.5 | Confident | 43 Ų | 43 | 64.5 Ų | 64.5 | 26% | 0.261 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.7 | -38 | 178.1 | 172.2 | 0 | 0 | 0 | 0 | 112.3 | L114 E115 A116 L121 T162 | L114-V118 VanDerWaalsContact O-CG2 3.3Å; L114-V118 WeakPolarHBondContact O-CG2 3.29Å; L114-V118 PolarHBondContact O-N 3.17Å; E115-V118 PolarHBondContact O-N 2.99Å; A116-V118 VanDerWaalsContact C-N 3.33Å; A116-V118 PolarHBondContact O-N 3.39Å; V118-L121 WeakPolarHBondContact O-CB 3.49Å; V118-L121 PolarHBondContact O-N 2.8Å; V118-T162 HydrophobicContact CG1-CG2 4.26Å |
| 119 | R | 78.1 | Confident | 78.4 | Confident | 155 Ų | 155 | 63.6 Ų | 63.6 | 59% | 0.585 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.4 | -44.4 | 172.7 | -89.5 | -175.8 | -88.5 | -148.6 | -8.3 | 112.1 | E115 A116 A117 L121 N122 | E115-R119 PolarHBondContact O-N 2.93Å; E115-R119 IonicContact OE2-NH2 3.77Å; A116-R119 WeakPolarHBondContact O-CB 3.45Å; A116-R119 PolarHBondContact O-N 3.33Å; A116-R119 VanDerWaalsContact O-N 3.14Å; A117-R119 VanDerWaalsContact C-N 3.31Å; A117-R119 PolarHBondContact O-N 3.46Å; R119-L121 VanDerWaalsContact C-N 3.28Å; R119-L121 PolarHBondContact O-N 3.01Å; R119-N122 PolarHBondContact O-N 2.92Å |
| 120 | E | 80.3 | Confident | 79.9 | Confident | 48 Ų | 48 | 59.8 Ų | 59.8 | 22% | 0.224 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.9 | -28.7 | 177 | -61 | -52.9 | 130.4 | 0 | 0 | 112.6 | L101 A116 A117 N122 K123 T124 | L101-E120 HydrophobicContact CD1-CB 3.68Å; L101-E120 HydrophobicContact CD2-CB 3.97Å; L101-E120 HydrophobicContact CD2-CG 4.34Å; L101-E120 HydrophobicContact CG-CB 4.49Å; A116-E120 WeakPolarHBondContact O-CG 3.33Å; A116-E120 PolarHBondContact O-N 3.49Å; A117-E120 PolarHBondContact O-N 2.89Å; A117-E120 VanDerWaalsContact O-N 3.11Å; E120-N122 VanDerWaalsContact C-N 3.32Å; E120-N122 PolarHBondContact O-N 3.23Å; E120-K123 VanDerWaalsContact O-CB 3.26Å; E120-K123 WeakPolarHBondContact O-CB 3.27Å; E120-K123 PolarHBondContact O-N 3.04Å; E120-K123 VanDerWaalsContact O-N 3.08Å; E120-K123 WeakPolarHBondContact OE1-CE 3.35Å; E120-K123 IonicContact OE1-NZ 3.8Å; E120-K123 PolarHBondContact OE1-NZ 3.45Å; E120-K123 VanDerWaalsContact OE2-CD 3.28Å; E120-K123 WeakPolarHBondContact OE2-CD 3.49Å; E120-K123 VanDerWaalsContact OE2-CE 3.27Å; E120-K123 WeakPolarHBondContact OE2-CE 3.49Å; E120-K123 IonicContact OE2-NZ 3.84Å; E120-K123 PolarHBondContact OE2-NZ 3.12Å; E120-T124 PolarHBondContact O-N 3.44Å; E120-T124 VanDerWaalsContact O-N 3.15Å; E120-T124 PolarHBondContact O-OG1 3.26Å |
| 121 | L | 83.3 | Confident | 81 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -36.8 | 174.7 | -66.4 | 175.2 | 0 | 0 | 0 | 112.7 | L102 A117 V118 R119 K123 T124 V125 M163 | L102-L121 HydrophobicContact CD1-CD2 3.99Å; L102-L121 HydrophobicContact CD2-CD1 4.08Å; L102-L121 HydrophobicContact CD2-CD2 3.97Å; L102-L121 HydrophobicContact CG-CD2 3.94Å; A117-L121 WeakPolarHBondContact O-CG 3.44Å; A117-L121 PolarHBondContact O-N 3.03Å; V118-L121 WeakPolarHBondContact O-CB 3.49Å; V118-L121 PolarHBondContact O-N 2.8Å; R119-L121 VanDerWaalsContact C-N 3.28Å; R119-L121 PolarHBondContact O-N 3.01Å; L121-K123 PolarHBondContact O-N 3.12Å; L121-T124 WeakPolarHBondContact O-CB 3.16Å; L121-T124 PolarHBondContact O-N 3.45Å; L121-V125 WeakPolarHBondContact O-CG2 3.3Å; L121-V125 PolarHBondContact O-N 3.38Å; L121-M163 HydrophobicContact CB-SD 4.12Å; L121-M163 HydrophobicContact CD1-CB 4.03Å; L121-M163 HydrophobicContact CD2-CB 4.28Å; L121-M163 HydrophobicContact CD2-CG 4.15Å; L121-M163 HydrophobicContact CD2-SD 3.76Å; L121-M163 HydrophobicContact CG-SD 4.35Å |
| 122 | N | 82.6 | Confident | 81.7 | Confident | 63 Ų | 63 | 50.8 Ų | 50.8 | 34% | 0.337 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.4 | -36.8 | 175 | -74.6 | -27.8 | 0 | 0 | 0 | 110.9 | R119 E120 V125 V126 R166 | R119-N122 PolarHBondContact O-N 2.92Å; E120-N122 VanDerWaalsContact C-N 3.32Å; E120-N122 PolarHBondContact O-N 3.23Å; N122-V125 PolarHBondContact O-N 2.96Å; N122-V126 PolarHBondContact O-N 2.97Å; N122-V126 VanDerWaalsContact O-N 3.15Å; N122-R166 WeakPolarHBondContact OD1-CD 3.5Å; N122-R166 PolarHBondContact OD1-NE 2.93Å |
| 123 | K | 82.4 | Confident | 82.3 | Confident | 71 Ų | 71 | 43.6 Ų | 43.6 | 31% | 0.309 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.4 | -40.1 | 177.5 | -56.9 | -165.3 | -162.8 | 160.5 | 0 | 111.9 | L46 E120 L121 V125 V126 V127 | L46-K123 HydrophobicContact CD1-CB 3.6Å; L46-K123 HydrophobicContact CD1-CD 3.67Å; L46-K123 HydrophobicContact CD1-CG 4.27Å; L46-K123 HydrophobicContact CD2-CB 3.59Å; L46-K123 HydrophobicContact CD2-CD 4.24Å; L46-K123 HydrophobicContact CD2-CG 4.22Å; L46-K123 HydrophobicContact CG-CB 4.22Å; L46-K123 HydrophobicContact CG-CD 4.45Å; E120-K123 VanDerWaalsContact O-CB 3.26Å; E120-K123 WeakPolarHBondContact O-CB 3.27Å; E120-K123 PolarHBondContact O-N 3.04Å; E120-K123 VanDerWaalsContact O-N 3.08Å; E120-K123 WeakPolarHBondContact OE1-CE 3.35Å; E120-K123 IonicContact OE1-NZ 3.8Å; E120-K123 PolarHBondContact OE1-NZ 3.45Å; E120-K123 VanDerWaalsContact OE2-CD 3.28Å; E120-K123 WeakPolarHBondContact OE2-CD 3.49Å; E120-K123 VanDerWaalsContact OE2-CE 3.27Å; E120-K123 WeakPolarHBondContact OE2-CE 3.49Å; E120-K123 IonicContact OE2-NZ 3.84Å; E120-K123 PolarHBondContact OE2-NZ 3.12Å; L121-K123 PolarHBondContact O-N 3.12Å; K123-V125 PolarHBondContact O-N 2.91Å; K123-V126 WeakPolarHBondContact O-CB 3.26Å; K123-V126 PolarHBondContact O-N 3.14Å; K123-V126 VanDerWaalsContact O-N 3.15Å; K123-V127 PolarHBondContact O-N 3.47Å; K123-V127 VanDerWaalsContact O-N 3.14Å |
| 124 | T | 86.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56 | -40.9 | 173.7 | -50.5 | 0 | 0 | 0 | 0 | 111.7 | L94 A98 E120 L121 V127 L128 M163 | L94-T124 HydrophobicContact CD1-CG2 3.58Å; L94-T124 HydrophobicContact CD2-CG2 4.31Å; L94-T124 HydrophobicContact CG-CG2 3.8Å; A98-T124 HydrophobicContact CB-CG2 4.03Å; E120-T124 PolarHBondContact O-N 3.44Å; E120-T124 VanDerWaalsContact O-N 3.15Å; E120-T124 PolarHBondContact O-OG1 3.26Å; L121-T124 WeakPolarHBondContact O-CB 3.16Å; L121-T124 PolarHBondContact O-N 3.45Å; T124-V127 PolarHBondContact O-N 3.15Å; T124-L128 PolarHBondContact O-N 3.14Å; T124-M163 HydrophobicContact CG2-CE 3.76Å |
| 125 | V | 87.8 | Confident | 84 | Confident | 13 Ų | 13 | 41 Ų | 41 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.3 | -30.8 | -178.2 | 176.9 | 0 | 0 | 0 | 0 | 112 | L121 N122 K123 M163 R166 L167 A170 | L121-V125 WeakPolarHBondContact O-CG2 3.3Å; L121-V125 PolarHBondContact O-N 3.38Å; N122-V125 PolarHBondContact O-N 2.96Å; K123-V125 PolarHBondContact O-N 2.91Å; V125-M163 HydrophobicContact CG2-SD 4.41Å; V125-R166 HydrophobicContact CG2-CB 3.75Å; V125-L167 HydrophobicContact CG2-CD2 4.47Å; V125-A170 HydrophobicContact CG1-CB 3.57Å |
| 126 | V | 88.4 | Confident | 84.6 | Confident | 28 Ų | 28 | 35.7 Ų | 35.7 | 17% | 0.17 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.4 | -50.6 | 171.8 | 172.3 | 0 | 0 | 0 | 0 | 110.1 | Y49 N122 K123 L128 R129 Y130 | Y49-V126 HydrophobicContact CD1-CG1 4.02Å; Y49-V126 HydrophobicContact CD2-CG1 3.7Å; Y49-V126 HydrophobicContact CE1-CG1 3.8Å; Y49-V126 HydrophobicContact CE2-CG1 3.49Å; Y49-V126 VanDerWaalsContact CE2-CG1 3.49Å; Y49-V126 HydrophobicContact CG-CG1 3.97Å; N122-V126 PolarHBondContact O-N 2.97Å; N122-V126 VanDerWaalsContact O-N 3.15Å; K123-V126 WeakPolarHBondContact O-CB 3.26Å; K123-V126 PolarHBondContact O-N 3.14Å; K123-V126 VanDerWaalsContact O-N 3.15Å; V126-L128 VanDerWaalsContact C-N 3.28Å; V126-L128 PolarHBondContact O-N 2.79Å; V126-R129 WeakPolarHBondContact O-CB 3.42Å; V126-R129 PolarHBondContact O-N 2.86Å; V126-R129 VanDerWaalsContact O-N 3.1Å; V126-Y130 HydrophobicContact CG1-CE2 4.16Å; V126-Y130 WeakPolarHBondContact O-CD2 3.25Å |
| 127 | V | 90.1 | Very high | 85.3 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.8 | -38.7 | 179 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | F41 V42 I45 L46 L94 K123 T124 R129 Y130 I131 | F41-V127 HydrophobicContact CE1-CG1 4.42Å; V42-V127 HydrophobicContact CG1-CG2 4.35Å; I45-V127 HydrophobicContact CB-CG2 4.39Å; I45-V127 HydrophobicContact CG2-CG1 4.14Å; I45-V127 HydrophobicContact CG2-CG2 3.89Å; L46-V127 HydrophobicContact CD2-CG2 3.81Å; L46-V127 HydrophobicContact CG-CG2 4.01Å; L94-V127 HydrophobicContact CD1-CB 3.89Å; L94-V127 HydrophobicContact CD1-CG1 3.91Å; L94-V127 HydrophobicContact CD2-CB 4.35Å; L94-V127 HydrophobicContact CD2-CG1 4.26Å; K123-V127 PolarHBondContact O-N 3.47Å; K123-V127 VanDerWaalsContact O-N 3.14Å; T124-V127 PolarHBondContact O-N 3.15Å; V127-R129 PolarHBondContact O-N 3.38Å; V127-R129 VanDerWaalsContact O-N 3.12Å; V127-Y130 PolarHBondContact O-N 3.39Å; V127-I131 HydrophobicContact CG1-CD1 4.47Å |
| 128 | L | 90.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.8 | -25.7 | 177.9 | -173.6 | 60.3 | 0 | 0 | 0 | 113.7 | L94 T124 V126 Y130 I131 K134 F137 L167 | L94-L128 HydrophobicContact CD2-CB 3.8Å; L94-L128 HydrophobicContact CD2-CD1 4.01Å; L94-L128 HydrophobicContact CD2-CG 4.49Å; T124-L128 PolarHBondContact O-N 3.14Å; V126-L128 VanDerWaalsContact C-N 3.28Å; V126-L128 PolarHBondContact O-N 2.79Å; L128-Y130 PolarHBondContact O-N 3.07Å; L128-I131 PolarHBondContact O-N 3.24Å; L128-K134 HydrophobicContact CD1-CG 4.47Å; L128-F137 HydrophobicContact CD1-CB 4.09Å; L128-F137 HydrophobicContact CD1-CD1 3.71Å; L128-F137 HydrophobicContact CD1-CD2 4.15Å; L128-F137 HydrophobicContact CD1-CE1 4.19Å; L128-F137 HydrophobicContact CD1-CG 3.7Å; L128-F137 HydrophobicContact CD2-CD1 4.12Å; L128-F137 HydrophobicContact CD2-CE1 3.89Å; L128-F137 HydrophobicContact CD2-CZ 4.41Å; L128-L167 HydrophobicContact CD2-CD2 3.47Å; L128-L167 VanDerWaalsContact CD2-CD2 3.47Å |
| 129 | R | 89 | Confident | 86.7 | Confident | 149 Ų | 149 | 35.5 Ų | 35.5 | 56% | 0.562 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -64.5 | -30.7 | 176.7 | -66.1 | -179.2 | -179.6 | -172.6 | -0.2 | 112.2 | V126 V127 | V126-R129 WeakPolarHBondContact O-CB 3.42Å; V126-R129 PolarHBondContact O-N 2.86Å; V126-R129 VanDerWaalsContact O-N 3.1Å; V127-R129 PolarHBondContact O-N 3.38Å; V127-R129 VanDerWaalsContact O-N 3.12Å |
| 130 | Y | 89.1 | Confident | 87 | Confident | 13 Ų | 13 | 28.4 Ų | 28.4 | 5% | 0.051 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 4.4 | -177.5 | -54.5 | -65.4 | 0 | 0 | 0 | 113.4 | Y49 D71 C74 L75 I78 N79 V126 V127 L128 | Y49-Y130 AromaticContact CD2-CE2 3.96Å; Y49-Y130 HydrophobicContact CD2-CE2 3.96Å; Y49-Y130 HydrophobicContact CE2-CE2 4.17Å; Y49-Y130 WeakPolarHBondContact CE2-OH 3.39Å; D71-Y130 HydrophobicContact CB-CE1 4.17Å; D71-Y130 VanDerWaalsContact OD1-CE1 3.26Å; D71-Y130 WeakPolarHBondContact OD1-CE1 3.26Å; D71-Y130 PolarHBondContact OD1-OH 3.38Å; C74-Y130 HydrophobicContact CB-CD1 3.68Å; C74-Y130 HydrophobicContact CB-CE1 3.98Å; C74-Y130 HydrophobicContact CB-CG 3.99Å; L75-Y130 HydrophobicContact CG-CD1 4.24Å; I78-Y130 VanDerWaalsContact CD1-CB 3.49Å; I78-Y130 HydrophobicContact CD1-CG 4.23Å; N79-Y130 PolarHBondContact ND2-O 3.29Å; V126-Y130 HydrophobicContact CG1-CE2 4.16Å; V126-Y130 WeakPolarHBondContact O-CD2 3.25Å; V127-Y130 PolarHBondContact O-N 3.39Å; L128-Y130 PolarHBondContact O-N 3.07Å |
| 131 | I | 88.9 | Confident | 87.5 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | trans | -102.4 | 125.6 | 176.8 | -61.8 | 179.2 | 0 | 0 | 0 | 109.6 | I78 A91 L94 V127 L128 K134 | I78-I131 HydrophobicContact CG2-CG1 4.01Å; A91-I131 HydrophobicContact CB-CG2 3.99Å; L94-I131 HydrophobicContact CB-CD1 4.09Å; L94-I131 HydrophobicContact CD2-CD1 3.59Å; L94-I131 HydrophobicContact CG-CD1 4.46Å; V127-I131 HydrophobicContact CG1-CD1 4.47Å; L128-I131 PolarHBondContact O-N 3.24Å; I131-K134 WeakPolarHBondContact O-CG 3.43Å; I131-K134 PolarHBondContact O-NZ 3.24Å | ||
| 132 | D | 86.1 | Confident | 87.9 | Confident | 42 Ų | 42 | 26.3 Ų | 26.3 | 23% | 0.225 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -76.5 | -42.8 | 177.5 | -81.2 | -26.2 | 0 | 0 | 0 | 112 | N79 K134 L431 | N79-D132 PolarHBondContact OD1-N 3.14Å; D132-K134 PolarHBondContact O-N 2.87Å; D132-L431 HydrophobicContact CB-CB 4.47Å |
| 133 | E | 86.4 | Confident | 88 | Confident | 13 Ų | 13 | 25.5 Ų | 25.5 | 6% | 0.061 | 12% | 0.117 | C | C | . | . | trans | -80.1 | 60.3 | -176 | -53.6 | -71.2 | -160.1 | 0 | 0 | 111.8 | K81 D135 L136 F137 R395 F430 | K81-E133 IonicContact NZ-OE1 2.6Å; E133-D135 VanDerWaalsContact C-N 3.29Å; E133-D135 PolarHBondContact O-N 3.33Å; E133-L136 HydrophobicContact CB-CB 4.15Å; E133-L136 WeakPolarHBondContact O-CB 3.46Å; E133-L136 PolarHBondContact O-N 3.41Å; E133-F137 PolarHBondContact O-N 3.21Å; E133-R395 IonicContact OE1-NH1 2.73Å; E133-R395 IonicContact OE1-NH2 3.92Å; E133-R395 IonicContact OE2-CZ 2.95Å; E133-R395 VanDerWaalsContact OE2-CZ 3.26Å; E133-R395 IonicContact OE2-NH1 2.62Å; E133-R395 PolarHBondContact OE2-NH1 3.11Å; E133-R395 IonicContact OE2-NH2 3.8Å; E133-R395 PolarHBondContact OE2-NH2 3.34Å; E133-F430 WeakPolarHBondContact OE2-CB 3.41Å | ||
| 134 | K | 89.1 | Confident | 88.2 | Confident | 35 Ų | 35 | 22.5 Ų | 22.5 | 15% | 0.152 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.8 | -28.9 | -176.1 | -62.9 | 179.4 | 178.1 | 63 | 0 | 112.7 | L128 I131 D132 L136 F137 R138 F175 R429 | L128-K134 HydrophobicContact CD1-CG 4.47Å; I131-K134 WeakPolarHBondContact O-CG 3.43Å; I131-K134 PolarHBondContact O-NZ 3.24Å; D132-K134 PolarHBondContact O-N 2.87Å; K134-L136 VanDerWaalsContact C-N 3.35Å; K134-F137 PolarHBondContact O-N 2.9Å; K134-R138 WeakPolarHBondContact O-CB 3.43Å; K134-R138 PolarHBondContact O-N 2.97Å; K134-F175 HydrophobicContact CB-CE2 3.95Å; K134-F175 HydrophobicContact CB-CZ 4.4Å; K134-F175 WeakPolarHBondContact O-CE2 3.35Å; K134-F175 WeakPolarHBondContact O-CZ 3.29Å; K134-R429 PolarHBondContact N-O 2.88Å |
| 135 | D | 88.1 | Confident | 88.4 | Confident | 18 Ų | 18 | 22.5 Ų | 22.5 | 10% | 0.096 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.9 | -35.9 | 174.8 | 64.1 | -19.5 | 0 | 0 | 0 | 112.8 | E133 R138 K139 L391 R395 R429 | E133-D135 VanDerWaalsContact C-N 3.29Å; E133-D135 PolarHBondContact O-N 3.33Å; D135-R138 WeakPolarHBondContact O-CB 3.42Å; D135-R138 PolarHBondContact O-N 3.41Å; D135-K139 WeakPolarHBondContact O-CB 3.41Å; D135-K139 PolarHBondContact O-N 3.01Å; D135-L391 HydrophobicContact CB-CD1 4.31Å; D135-R395 IonicContact OD1-CZ 3.6Å; D135-R395 IonicContact OD1-NE 3.52Å; D135-R395 IonicContact OD1-NH2 3.98Å; D135-R395 PolarHBondContact OD1-NH2 3.34Å; D135-R395 WeakPolarHBondContact OD2-CG 3.5Å; D135-R395 IonicContact OD2-CZ 3.46Å; D135-R395 IonicContact OD2-NE 3.98Å; D135-R395 PolarHBondContact OD2-NE 2.82Å; D135-R395 IonicContact OD2-NH2 3.01Å; D135-R395 PolarHBondContact OD2-NH2 3Å; D135-R429 PolarHBondContact N-O 3.42Å; D135-R429 VanDerWaalsContact N-O 3.15Å |
| 136 | L | 87.1 | Confident | 88.5 | Confident | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.016 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.2 | -48.7 | 172.1 | 179.7 | 62.4 | 0 | 0 | 0 | 110.6 | L88 A91 E133 K134 R138 K139 A140 L387 L391 | L88-L136 HydrophobicContact CB-CD2 4.05Å; L88-L136 HydrophobicContact CD2-CD2 3.65Å; L88-L136 HydrophobicContact CG-CD2 4.44Å; L88-L136 WeakPolarHBondContact O-CD2 3.47Å; A91-L136 HydrophobicContact CB-CB 4.13Å; A91-L136 HydrophobicContact CB-CD2 3.97Å; A91-L136 HydrophobicContact CB-CG 3.99Å; E133-L136 HydrophobicContact CB-CB 4.15Å; E133-L136 WeakPolarHBondContact O-CB 3.46Å; E133-L136 PolarHBondContact O-N 3.41Å; K134-L136 VanDerWaalsContact C-N 3.35Å; L136-R138 VanDerWaalsContact C-N 3.29Å; L136-R138 PolarHBondContact O-N 2.93Å; L136-K139 PolarHBondContact O-N 3.32Å; L136-K139 VanDerWaalsContact O-N 3.17Å; L136-A140 WeakPolarHBondContact O-CB 3.3Å; L136-A140 PolarHBondContact O-N 3.11Å; L136-L387 HydrophobicContact CD1-CD2 3.45Å; L136-L387 VanDerWaalsContact CD1-CD2 3.45Å; L136-L391 HydrophobicContact CB-CD2 4.03Å; L136-L391 HydrophobicContact CD1-CD2 3.96Å |
| 137 | F | 89.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -55.4 | -47 | 173.3 | 170.3 | -92.6 | 0 | 0 | 0 | 110.7 | A91 L94 A95 L128 E133 K134 K139 A140 Y141 L167 F175 | A91-F137 HydrophobicContact CB-CB 4.03Å; A91-F137 WeakPolarHBondContact O-CD2 3.42Å; L94-F137 HydrophobicContact CB-CD2 4.14Å; L94-F137 HydrophobicContact CB-CE2 4.21Å; L94-F137 HydrophobicContact CD2-CD2 4.05Å; L94-F137 HydrophobicContact CD2-CE2 3.95Å; L94-F137 HydrophobicContact CG-CD2 4.17Å; L94-F137 HydrophobicContact CG-CE2 3.85Å; A95-F137 HydrophobicContact CB-CD2 3.9Å; A95-F137 HydrophobicContact CB-CE2 3.99Å; L128-F137 HydrophobicContact CD1-CB 4.09Å; L128-F137 HydrophobicContact CD1-CD1 3.71Å; L128-F137 HydrophobicContact CD1-CD2 4.15Å; L128-F137 HydrophobicContact CD1-CE1 4.19Å; L128-F137 HydrophobicContact CD1-CG 3.7Å; L128-F137 HydrophobicContact CD2-CD1 4.12Å; L128-F137 HydrophobicContact CD2-CE1 3.89Å; L128-F137 HydrophobicContact CD2-CZ 4.41Å; E133-F137 PolarHBondContact O-N 3.21Å; K134-F137 PolarHBondContact O-N 2.9Å; F137-K139 VanDerWaalsContact C-N 3.3Å; F137-K139 PolarHBondContact O-N 3.35Å; F137-A140 PolarHBondContact O-N 2.98Å; F137-Y141 HydrophobicContact CE1-CG 4.33Å; F137-Y141 HydrophobicContact CZ-CD2 4.05Å; F137-Y141 HydrophobicContact CZ-CG 4.13Å; F137-Y141 WeakPolarHBondContact O-CB 3.36Å; F137-Y141 PolarHBondContact O-N 3.47Å; F137-L167 HydrophobicContact CE1-CD1 4.32Å; F137-L167 HydrophobicContact CE1-CD2 3.8Å; F137-L167 HydrophobicContact CZ-CD2 4.15Å; F137-F175 HydrophobicContact CD1-CE1 4.28Å; F137-F175 HydrophobicContact CD1-CZ 4.01Å; F137-F175 HydrophobicContact CE1-CE1 4.42Å |
| 138 | R | 89.9 | Confident | 88.1 | Confident | 43 Ų | 43 | 22.5 Ų | 22.5 | 16% | 0.162 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -56.1 | -45.9 | 178.7 | -169.1 | -173.9 | 175.5 | -143 | 8.1 | 111.4 | K134 D135 L136 G142 E174 F175 F179 | K134-R138 WeakPolarHBondContact O-CB 3.43Å; K134-R138 PolarHBondContact O-N 2.97Å; D135-R138 WeakPolarHBondContact O-CB 3.42Å; D135-R138 PolarHBondContact O-N 3.41Å; L136-R138 VanDerWaalsContact C-N 3.29Å; L136-R138 PolarHBondContact O-N 2.93Å; R138-G142 PolarHBondContact O-N 3.32Å; R138-E174 PolarHBondContact NH2-O 3.33Å; R138-E174 VanDerWaalsContact NH2-O 3.14Å; R138-F175 HydrophobicContact CB-CE1 4.09Å; R138-F175 HydrophobicContact CB-CE2 3.72Å; R138-F175 HydrophobicContact CB-CZ 3.48Å; R138-F175 VanDerWaalsContact CB-CZ 3.48Å; R138-F175 HydrophobicContact CG-CD1 4.42Å; R138-F175 HydrophobicContact CG-CD2 4.41Å; R138-F175 HydrophobicContact CG-CE1 4.07Å; R138-F175 HydrophobicContact CG-CE2 4.05Å; R138-F175 HydrophobicContact CG-CZ 3.89Å; R138-F175 PolarHBondContact NE-O 3.29Å; R138-F175 PolarHBondContact NH2-O 3.25Å; R138-F179 HydrophobicContact CB-CZ 4.43Å; R138-F179 HydrophobicContact CG-CE1 4.41Å; R138-F179 HydrophobicContact CG-CE2 4.08Å; R138-F179 HydrophobicContact CG-CZ 3.52Å; R138-F179 VanDerWaalsContact O-CZ 3.29Å; R138-F179 WeakPolarHBondContact O-CZ 3.3Å |
| 139 | K | 86.2 | Confident | 88.1 | Confident | 47 Ų | 47 | 22.8 Ų | 22.8 | 20% | 0.204 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.4 | -48.1 | -177.1 | -165.4 | 171.3 | 179.2 | 176.8 | 0 | 111.3 | D135 L136 F137 G142 I143 L387 S390 L391 | D135-K139 WeakPolarHBondContact O-CB 3.41Å; D135-K139 PolarHBondContact O-N 3.01Å; L136-K139 PolarHBondContact O-N 3.32Å; L136-K139 VanDerWaalsContact O-N 3.17Å; F137-K139 VanDerWaalsContact C-N 3.3Å; F137-K139 PolarHBondContact O-N 3.35Å; K139-G142 PolarHBondContact O-N 3.12Å; K139-I143 WeakPolarHBondContact O-CG1 3.48Å; K139-I143 PolarHBondContact O-N 3.45Å; K139-I143 VanDerWaalsContact O-N 3.17Å; K139-L387 HydrophobicContact CD-CD1 4.17Å; K139-L387 HydrophobicContact CD-CD2 4.45Å; K139-L387 HydrophobicContact CD-CG 3.97Å; K139-L387 HydrophobicContact CG-CD1 4.09Å; K139-L387 HydrophobicContact CG-CD2 4.47Å; K139-L387 HydrophobicContact CG-CG 4.27Å; K139-L387 PolarHBondContact NZ-O 3.17Å; K139-L387 VanDerWaalsContact NZ-O 3.08Å; K139-S390 PolarHBondContact NZ-OG 3.01Å; K139-L391 HydrophobicContact CD-CD1 4.01Å |
| 140 | A | 85.9 | Confident | 87.9 | Confident | 5 Ų | 5 | 17.3 Ų | 17.3 | 4% | 0.041 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.6 | -49.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A95 L136 F137 G142 I143 Y144 | A95-A140 HydrophobicContact CB-CB 3.77Å; L136-A140 WeakPolarHBondContact O-CB 3.3Å; L136-A140 PolarHBondContact O-N 3.11Å; F137-A140 PolarHBondContact O-N 2.98Å; A140-G142 VanDerWaalsContact C-N 3.3Å; A140-G142 PolarHBondContact O-N 3.09Å; A140-I143 PolarHBondContact O-N 3.25Å; A140-Y144 WeakPolarHBondContact O-CD2 3.31Å; A140-Y144 PolarHBondContact O-N 3.07Å; A140-Y144 VanDerWaalsContact O-N 3.13Å |
| 141 | Y | 90.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.6 | -39.3 | 177.6 | -175.4 | -95.7 | 0 | 0 | 0 | 112.1 | A98 F137 I143 Y144 L145 M163 L167 F179 | A98-Y141 HydrophobicContact CB-CD2 4.09Å; A98-Y141 HydrophobicContact CB-CE2 3.87Å; F137-Y141 HydrophobicContact CE1-CG 4.33Å; F137-Y141 HydrophobicContact CZ-CD2 4.05Å; F137-Y141 HydrophobicContact CZ-CG 4.13Å; F137-Y141 WeakPolarHBondContact O-CB 3.36Å; F137-Y141 PolarHBondContact O-N 3.47Å; Y141-I143 VanDerWaalsContact C-N 3.35Å; Y141-I143 PolarHBondContact O-N 3.04Å; Y141-Y144 PolarHBondContact O-N 3.4Å; Y141-L145 HydrophobicContact CE1-CB 4.28Å; Y141-L145 HydrophobicContact CE1-CD2 4.27Å; Y141-L145 WeakPolarHBondContact O-CB 3.31Å; Y141-L145 PolarHBondContact O-N 3.31Å; Y141-M163 HydrophobicContact CE2-CE 4.36Å; Y141-M163 HydrophobicContact CE2-CG 4.44Å; Y141-M163 WeakPolarHBondContact OH-CG 3.25Å; Y141-L167 HydrophobicContact CD1-CD1 4.24Å; Y141-L167 HydrophobicContact CE1-CD1 3.93Å; Y141-F179 HydrophobicContact CD1-CD2 4.2Å; Y141-F179 HydrophobicContact CD1-CE1 4.46Å; Y141-F179 AromaticContact CD1-CE2 3.81Å; Y141-F179 HydrophobicContact CD1-CE2 3.81Å; Y141-F179 AromaticContact CD1-CZ 3.94Å; Y141-F179 HydrophobicContact CD1-CZ 3.94Å; Y141-F179 HydrophobicContact CE1-CD2 4.31Å; Y141-F179 HydrophobicContact CE1-CE2 4.35Å |
| 142 | G | 90 | Very high | 87.4 | Confident | 6 Ų | 6 | 21.2 Ų | 21.2 | 6% | 0.062 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R138 K139 A140 A146 F179 | R138-G142 PolarHBondContact O-N 3.32Å; K139-G142 PolarHBondContact O-N 3.12Å; A140-G142 VanDerWaalsContact C-N 3.3Å; A140-G142 PolarHBondContact O-N 3.09Å; G142-A146 WeakPolarHBondContact O-CB 3.32Å; G142-A146 PolarHBondContact O-N 3.4Å; G142-F179 VanDerWaalsContact CA-CE1 3.45Å |
| 143 | I | 84.8 | Confident | 87.4 | Confident | 46 Ų | 46 | 20.9 Ų | 20.9 | 24% | 0.236 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.5 | -48.2 | 175.4 | -67.2 | 166.2 | 0 | 0 | 0 | 110.3 | K139 A140 Y141 A146 K147 P224 A380 L387 | K139-I143 WeakPolarHBondContact O-CG1 3.48Å; K139-I143 PolarHBondContact O-N 3.45Å; K139-I143 VanDerWaalsContact O-N 3.17Å; A140-I143 PolarHBondContact O-N 3.25Å; Y141-I143 VanDerWaalsContact C-N 3.35Å; Y141-I143 PolarHBondContact O-N 3.04Å; I143-A146 PolarHBondContact O-N 3.08Å; I143-K147 WeakPolarHBondContact O-CB 3.28Å; I143-K147 PolarHBondContact O-N 2.93Å; I143-P224 HydrophobicContact CG1-CB 4.08Å; I143-P224 HydrophobicContact CG1-CG 4.21Å; I143-A380 HydrophobicContact CG2-CB 4.49Å; I143-L387 HydrophobicContact CD1-CD1 3.47Å; I143-L387 VanDerWaalsContact CD1-CD1 3.47Å |
| 144 | Y | 87.7 | Confident | 87.5 | Confident | 7 Ų | 7 | 20.9 Ų | 20.9 | 3% | 0.027 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.7 | -45.1 | 178.7 | -69.4 | -52.4 | 0 | 0 | 0 | 112.2 | A95 K96 D99 A140 Y141 A146 K147 R148 A380 N381 | A95-Y144 HydrophobicContact CB-CD2 4.13Å; A95-Y144 HydrophobicContact CB-CE2 4.15Å; K96-Y144 HydrophobicContact CB-CE2 4.23Å; D99-Y144 HydrophobicContact CB-CD1 4.15Å; D99-Y144 HydrophobicContact CB-CD2 4.23Å; D99-Y144 HydrophobicContact CB-CG 3.86Å; A140-Y144 WeakPolarHBondContact O-CD2 3.31Å; A140-Y144 PolarHBondContact O-N 3.07Å; A140-Y144 VanDerWaalsContact O-N 3.13Å; Y141-Y144 PolarHBondContact O-N 3.4Å; Y144-A146 PolarHBondContact O-N 3.29Å; Y144-K147 PolarHBondContact O-N 2.79Å; Y144-R148 WeakPolarHBondContact O-CG 3.33Å; Y144-R148 PolarHBondContact O-N 3.33Å; Y144-A380 HydrophobicContact CE1-CB 4.24Å; Y144-A380 PolarHBondContact OH-O 2.93Å; Y144-N381 PolarHBondContact OH-OD1 3.05Å |
| 145 | L | 91.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.8 | -49 | 175.7 | 177.4 | 64 | 0 | 0 | 0 | 111.2 | Y141 K147 R148 L149 E160 I164 F179 M182 | Y141-L145 HydrophobicContact CE1-CB 4.28Å; Y141-L145 HydrophobicContact CE1-CD2 4.27Å; Y141-L145 WeakPolarHBondContact O-CB 3.31Å; Y141-L145 PolarHBondContact O-N 3.31Å; L145-K147 VanDerWaalsContact C-N 3.28Å; L145-K147 PolarHBondContact O-N 3Å; L145-R148 PolarHBondContact O-N 3.04Å; L145-L149 HydrophobicContact CD1-CD1 3.96Å; L145-L149 HydrophobicContact CD1-CD2 4.48Å; L145-L149 HydrophobicContact CD1-CG 3.98Å; L145-L149 HydrophobicContact CG-CD1 3.93Å; L145-L149 HydrophobicContact CG-CG 4.33Å; L145-L149 WeakPolarHBondContact O-CB 3.39Å; L145-L149 VanDerWaalsContact O-CG 3.31Å; L145-L149 WeakPolarHBondContact O-CG 3.23Å; L145-L149 PolarHBondContact O-N 3.03Å; L145-E160 VanDerWaalsContact CD1-OE2 3.27Å; L145-E160 WeakPolarHBondContact CD1-OE2 3.37Å; L145-I164 HydrophobicContact CD2-CD1 4.31Å; L145-F179 HydrophobicContact CD2-CB 3.62Å; L145-F179 HydrophobicContact CD2-CD1 3.94Å; L145-F179 HydrophobicContact CD2-CG 3.91Å; L145-M182 HydrophobicContact CB-CE 4.28Å; L145-M182 HydrophobicContact CD2-CE 4.07Å; L145-M182 HydrophobicContact CD2-SD 4.3Å; L145-M182 HydrophobicContact CG-CE 3.93Å |
| 146 | A | 88.2 | Confident | 87.3 | Confident | 4 Ų | 4 | 21.7 Ų | 21.7 | 3% | 0.033 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.5 | -47.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G142 I143 Y144 L149 I150 M182 W223 P224 | G142-A146 WeakPolarHBondContact O-CB 3.32Å; G142-A146 PolarHBondContact O-N 3.4Å; I143-A146 PolarHBondContact O-N 3.08Å; Y144-A146 PolarHBondContact O-N 3.29Å; A146-L149 PolarHBondContact O-N 3.06Å; A146-I150 WeakPolarHBondContact O-CB 3.41Å; A146-I150 WeakPolarHBondContact O-CD1 3.27Å; A146-I150 WeakPolarHBondContact O-CG1 3.33Å; A146-I150 PolarHBondContact O-N 3.45Å; A146-M182 HydrophobicContact CB-CE 3.45Å; A146-M182 VanDerWaalsContact CB-CE 3.45Å; A146-M182 VanDerWaalsContact N-CE 3.35Å; A146-W223 HydrophobicContact CB-CE3 4Å; A146-W223 HydrophobicContact CB-CZ3 4.1Å; A146-P224 HydrophobicContact CB-CG 3.64Å |
| 147 | K | 83.3 | Confident | 87.3 | Confident | 38 Ų | 38 | 23 Ų | 23 | 17% | 0.165 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 178.5 | -179.5 | -176.8 | 169.9 | -157.5 | 0 | 112.3 | I143 Y144 L145 L149 S151 E377 | I143-K147 WeakPolarHBondContact O-CB 3.28Å; I143-K147 PolarHBondContact O-N 2.93Å; Y144-K147 PolarHBondContact O-N 2.79Å; L145-K147 VanDerWaalsContact C-N 3.28Å; L145-K147 PolarHBondContact O-N 3Å; K147-L149 VanDerWaalsContact C-N 3.32Å; K147-L149 PolarHBondContact O-N 3.06Å; K147-S151 VanDerWaalsContact O-CB 3.28Å; K147-S151 WeakPolarHBondContact O-CB 3.29Å; K147-S151 PolarHBondContact O-N 3.47Å; K147-S151 PolarHBondContact O-OG 2.77Å; K147-E377 WeakPolarHBondContact CE-OE1 3.09Å; K147-E377 VanDerWaalsContact NZ-CD 3.28Å; K147-E377 IonicContact NZ-OE1 3.78Å; K147-E377 PolarHBondContact NZ-OE1 2.77Å |
| 148 | R | 88.5 | Confident | 87.3 | Confident | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 178.3 | -70.6 | -165.4 | -54.8 | -80.5 | 2.5 | 111.7 | D99 Y144 L145 G152 T153 S154 E160 | D99-R148 WeakPolarHBondContact OD1-CD 3.12Å; D99-R148 VanDerWaalsContact OD1-CG 3.27Å; D99-R148 WeakPolarHBondContact OD1-CG 3.26Å; D99-R148 IonicContact OD1-CZ 2.79Å; D99-R148 IonicContact OD1-NE 2.77Å; D99-R148 IonicContact OD1-NH1 3.08Å; D99-R148 PolarHBondContact OD1-NH1 2.82Å; Y144-R148 WeakPolarHBondContact O-CG 3.33Å; Y144-R148 PolarHBondContact O-N 3.33Å; L145-R148 PolarHBondContact O-N 3.04Å; R148-G152 PolarHBondContact O-N 3.31Å; R148-T153 PolarHBondContact O-N 2.86Å; R148-S154 WeakPolarHBondContact CB-OG 3.27Å; R148-E160 IonicContact CZ-OE1 2.76Å; R148-E160 IonicContact CZ-OE2 3.64Å; R148-E160 IonicContact NE-OE1 2.63Å; R148-E160 PolarHBondContact NE-OE1 2.99Å; R148-E160 IonicContact NE-OE2 3.82Å; R148-E160 IonicContact NH2-OE1 3.22Å; R148-E160 PolarHBondContact NH2-OE1 3.41Å; R148-E160 IonicContact NH2-OE2 2.7Å; R148-E160 PolarHBondContact NH2-OE2 3.41Å |
| 149 | L | 90.3 | Very high | 87.3 | Confident | 7 Ų | 7 | 26.1 Ų | 26.1 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.6 | -49.3 | 178 | -71.2 | -179.8 | 0 | 0 | 0 | 112.6 | L145 A146 K147 G152 L157 M182 I183 V186 W223 | L145-L149 HydrophobicContact CD1-CD1 3.96Å; L145-L149 HydrophobicContact CD1-CD2 4.48Å; L145-L149 HydrophobicContact CD1-CG 3.98Å; L145-L149 HydrophobicContact CG-CD1 3.93Å; L145-L149 HydrophobicContact CG-CG 4.33Å; L145-L149 WeakPolarHBondContact O-CB 3.39Å; L145-L149 VanDerWaalsContact O-CG 3.31Å; L145-L149 WeakPolarHBondContact O-CG 3.23Å; L145-L149 PolarHBondContact O-N 3.03Å; A146-L149 PolarHBondContact O-N 3.06Å; K147-L149 VanDerWaalsContact C-N 3.32Å; K147-L149 PolarHBondContact O-N 3.06Å; L149-G152 PolarHBondContact O-N 2.93Å; L149-L157 HydrophobicContact CD2-CD1 3.96Å; L149-M182 HydrophobicContact CD1-CB 3.88Å; L149-M182 HydrophobicContact CD1-CE 4.24Å; L149-I183 HydrophobicContact CD1-CG1 4.36Å; L149-V186 HydrophobicContact CB-CG2 4.05Å; L149-V186 HydrophobicContact CD1-CG2 4.26Å; L149-V186 HydrophobicContact CD2-CG2 4.45Å; L149-V186 HydrophobicContact CG-CG2 4.48Å; L149-W223 HydrophobicContact CB-CH2 4.13Å; L149-W223 HydrophobicContact CB-CZ3 4.39Å; L149-W223 HydrophobicContact CD1-CH2 4.01Å |
| 150 | I | 84.7 | Confident | 87.5 | Confident | 34 Ų | 34 | 23.9 Ų | 23.9 | 17% | 0.174 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.6 | -44.8 | -179.5 | -67.5 | 160.3 | 0 | 0 | 0 | 111 | A146 G152 L216 W223 L225 L275 | A146-I150 WeakPolarHBondContact O-CB 3.41Å; A146-I150 WeakPolarHBondContact O-CD1 3.27Å; A146-I150 WeakPolarHBondContact O-CG1 3.33Å; A146-I150 PolarHBondContact O-N 3.45Å; I150-G152 VanDerWaalsContact C-N 3.25Å; I150-G152 PolarHBondContact O-N 2.72Å; I150-L216 HydrophobicContact CD1-CD1 4.29Å; I150-L216 HydrophobicContact CG1-CD1 3.89Å; I150-W223 HydrophobicContact CD1-CE3 4.22Å; I150-W223 HydrophobicContact CD1-CZ3 3.97Å; I150-W223 HydrophobicContact CG1-CZ3 3.88Å; I150-L225 HydrophobicContact CD1-CD1 4.09Å; I150-L225 HydrophobicContact CD1-CD2 3.78Å; I150-L225 HydrophobicContact CD1-CG 4.45Å; I150-L275 HydrophobicContact CD1-CD1 4.26Å; I150-L275 HydrophobicContact CG2-CB 4.33Å |
| 151 | S | 82 | Confident | 87.8 | Confident | 52 Ų | 52 | 26.8 Ų | 26.8 | 36% | 0.364 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -4.5 | -178.2 | 63.3 | 0 | 0 | 0 | 0 | 114.1 | K147 T153 | K147-S151 VanDerWaalsContact O-CB 3.28Å; K147-S151 WeakPolarHBondContact O-CB 3.29Å; K147-S151 PolarHBondContact O-N 3.47Å; K147-S151 PolarHBondContact O-OG 2.77Å; S151-T153 PolarHBondContact O-N 3.37Å; S151-T153 WeakPolarHBondContact OG-CG2 3.34Å; S151-T153 PolarHBondContact OG-OG1 3.25Å |
| 152 | G | 84.5 | Confident | 87.9 | Confident | 45 Ų | 45 | 29 Ų | 29 | 46% | 0.464 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 22.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R148 L149 I150 | R148-G152 PolarHBondContact O-N 3.31Å; L149-G152 PolarHBondContact O-N 2.93Å; I150-G152 VanDerWaalsContact C-N 3.25Å; I150-G152 PolarHBondContact O-N 2.72Å |
| 153 | T | 87.1 | Confident | 88 | Confident | 34 Ų | 34 | 28.8 Ų | 28.8 | 21% | 0.209 | 17% | 0.169 | C | C | . | . | trans | -90.5 | -1.4 | -176.2 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | R103 K104 R148 S151 | R103-T153 CarbonylContact C-O 3.57Å; R103-T153 WeakPolarHBondContact CA-O 3.41Å; K104-T153 WeakPolarHBondContact CB-O 3.4Å; K104-T153 PolarHBondContact N-O 2.95Å; R148-T153 PolarHBondContact O-N 2.86Å; S151-T153 PolarHBondContact O-N 3.37Å; S151-T153 WeakPolarHBondContact OG-CG2 3.34Å; S151-T153 PolarHBondContact OG-OG1 3.25Å | ||
| 154 | S | 87.2 | Confident | 88.4 | Confident | 13 Ų | 13 | 27.1 Ų | 27.1 | 9% | 0.091 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -61.5 | 139.6 | 169.9 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | L102 K104 R148 E160 | L102-S154 WeakPolarHBondContact O-CA 3.36Å; K104-S154 WeakPolarHBondContact CD-O 3.42Å; K104-S154 WeakPolarHBondContact CE-O 3.34Å; K104-S154 WeakPolarHBondContact CG-O 3.34Å; K104-S154 PolarHBondContact NZ-O 3.24Å; R148-S154 WeakPolarHBondContact CB-OG 3.27Å; S154-E160 VanDerWaalsContact CB-OE1 3.25Å; S154-E160 WeakPolarHBondContact CB-OE1 3.46Å; S154-E160 PolarHBondContact OG-OE1 2.9Å |
| 155 | I | 86.2 | Confident | 88.6 | Confident | 33 Ų | 33 | 29.2 Ų | 29.2 | 17% | 0.169 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -57.5 | -53.8 | 175.9 | -66.8 | 168.9 | 0 | 0 | 0 | 110.5 | L101 L102 R103 K104 L114 | L101-I155 WeakPolarHBondContact O-CD1 3.38Å; L102-I155 WeakPolarHBondContact O-CG1 3.4Å; L102-I155 PolarHBondContact O-N 2.93Å; R103-I155 VanDerWaalsContact C-CG1 3.48Å; R103-I155 WeakPolarHBondContact O-CG1 3.35Å; K104-I155 VanDerWaalsContact CE-O 3.32Å; K104-I155 WeakPolarHBondContact CE-O 3.21Å; K104-I155 HydrophobicContact CG-CG1 4.33Å; L114-I155 HydrophobicContact CD1-CG2 3.66Å |
| 156 | S | 87 | Confident | 88.6 | Confident | 38 Ų | 38 | 34.7 Ų | 34.7 | 27% | 0.266 | 20% | 0.199 | S | C | . | . | trans | -153.8 | 145.8 | 177.5 | 176.1 | 0 | 0 | 0 | 0 | 109.5 | M158 A159 E160 | S156-M158 VanDerWaalsContact C-N 3.26Å; S156-M158 PolarHBondContact O-N 2.92Å; S156-M158 PolarHBondContact OG-N 3.11Å; S156-A159 PolarHBondContact O-N 3.16Å; S156-E160 PolarHBondContact O-N 3.38Å | ||
| 157 | L | 88.8 | Confident | 88.8 | Confident | 31 Ų | 31 | 34.5 Ų | 34.5 | 16% | 0.162 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.2 | -35.4 | 175.1 | -163 | 66.7 | 0 | 0 | 0 | 111.2 | L149 A159 E160 E161 I183 | L149-L157 HydrophobicContact CD2-CD1 3.96Å; L157-A159 VanDerWaalsContact C-N 3.27Å; L157-A159 PolarHBondContact O-N 3.4Å; L157-E160 WeakPolarHBondContact O-CB 3.45Å; L157-E160 PolarHBondContact O-N 2.99Å; L157-E160 VanDerWaalsContact O-N 3.16Å; L157-E161 WeakPolarHBondContact O-CG 3.45Å; L157-E161 PolarHBondContact O-N 2.98Å; L157-I183 HydrophobicContact CD1-CD1 4.34Å; L157-I183 HydrophobicContact CD1-CG1 4.32Å; L157-I183 HydrophobicContact CD1-CG2 3.95Å; L157-I183 HydrophobicContact CD2-CG2 4.22Å; L157-I183 HydrophobicContact CG-CG2 4.07Å |
| 158 | M | 88.8 | Confident | 89.3 | Confident | 104 Ų | 104 | 37.6 Ų | 37.6 | 51% | 0.512 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.5 | -34.9 | 175.8 | -63.2 | -70.4 | 99.1 | 0 | 0 | 112.5 | S156 E161 T162 | S156-M158 VanDerWaalsContact C-N 3.26Å; S156-M158 PolarHBondContact O-N 2.92Å; S156-M158 PolarHBondContact OG-N 3.11Å; M158-E161 WeakPolarHBondContact CE-OE2 3.39Å; M158-T162 WeakPolarHBondContact O-CB 3.34Å; M158-T162 PolarHBondContact O-N 2.87Å; M158-T162 PolarHBondContact O-OG1 3.32Å |
| 159 | A | 89 | Confident | 89.4 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.4 | -39.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L102 L114 S156 L157 T162 M163 | L102-A159 HydrophobicContact CD2-CB 4.02Å; L114-A159 HydrophobicContact CD1-CB 4.09Å; S156-A159 PolarHBondContact O-N 3.16Å; L157-A159 VanDerWaalsContact C-N 3.27Å; L157-A159 PolarHBondContact O-N 3.4Å; A159-T162 PolarHBondContact O-N 3.36Å; A159-M163 PolarHBondContact O-N 3.01Å |
| 160 | E | 91.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 174.9 | -59.1 | -78.5 | -172.1 | 0 | 0 | 110.8 | L145 R148 S154 S156 L157 T162 M163 I164 I183 | L145-E160 VanDerWaalsContact CD1-OE2 3.27Å; L145-E160 WeakPolarHBondContact CD1-OE2 3.37Å; R148-E160 IonicContact CZ-OE1 2.76Å; R148-E160 IonicContact CZ-OE2 3.64Å; R148-E160 IonicContact NE-OE1 2.63Å; R148-E160 PolarHBondContact NE-OE1 2.99Å; R148-E160 IonicContact NE-OE2 3.82Å; R148-E160 IonicContact NH2-OE1 3.22Å; R148-E160 PolarHBondContact NH2-OE1 3.41Å; R148-E160 IonicContact NH2-OE2 2.7Å; R148-E160 PolarHBondContact NH2-OE2 3.41Å; S154-E160 VanDerWaalsContact CB-OE1 3.25Å; S154-E160 WeakPolarHBondContact CB-OE1 3.46Å; S154-E160 PolarHBondContact OG-OE1 2.9Å; S156-E160 PolarHBondContact O-N 3.38Å; L157-E160 WeakPolarHBondContact O-CB 3.45Å; L157-E160 PolarHBondContact O-N 2.99Å; L157-E160 VanDerWaalsContact O-N 3.16Å; E160-T162 VanDerWaalsContact C-N 3.33Å; E160-T162 PolarHBondContact O-N 3.48Å; E160-M163 PolarHBondContact O-N 3.37Å; E160-I164 WeakPolarHBondContact O-CG1 3.14Å; E160-I164 PolarHBondContact O-N 3.47Å; E160-I183 HydrophobicContact CB-CD1 3.65Å |
| 161 | E | 92.8 | Very high | 89.4 | Confident | 67 Ų | 67 | 44.3 Ų | 44.3 | 31% | 0.313 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 174.3 | -73.9 | 175.1 | -173 | 0 | 0 | 112.3 | L157 M158 I164 A165 I183 | L157-E161 WeakPolarHBondContact O-CG 3.45Å; L157-E161 PolarHBondContact O-N 2.98Å; M158-E161 WeakPolarHBondContact CE-OE2 3.39Å; E161-I164 PolarHBondContact O-N 3.32Å; E161-A165 WeakPolarHBondContact O-CB 3.47Å; E161-A165 PolarHBondContact O-N 3.15Å; E161-I183 HydrophobicContact CG-CD1 3.76Å; E161-I183 HydrophobicContact CG-CG2 4.04Å |
| 162 | T | 91.4 | Very high | 89.8 | Confident | 47 Ų | 47 | 43.3 Ų | 43.3 | 29% | 0.288 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 176.2 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | V118 M158 A159 E160 I164 A165 R166 | V118-T162 HydrophobicContact CG1-CG2 4.26Å; M158-T162 WeakPolarHBondContact O-CB 3.34Å; M158-T162 PolarHBondContact O-N 2.87Å; M158-T162 PolarHBondContact O-OG1 3.32Å; A159-T162 PolarHBondContact O-N 3.36Å; E160-T162 VanDerWaalsContact C-N 3.33Å; E160-T162 PolarHBondContact O-N 3.48Å; T162-I164 VanDerWaalsContact C-N 3.35Å; T162-I164 PolarHBondContact O-N 3.37Å; T162-A165 PolarHBondContact O-N 3.44Å; T162-R166 VanDerWaalsContact O-CG 3.3Å; T162-R166 WeakPolarHBondContact O-CG 3.47Å; T162-R166 PolarHBondContact O-N 2.82Å |
| 163 | M | 92.1 | Very high | 90 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 175.9 | -176.7 | 50.8 | 173.5 | 0 | 0 | 111.4 | A98 L102 L121 T124 V125 Y141 A159 E160 A165 R166 L167 | A98-M163 HydrophobicContact CB-CE 4.28Å; L102-M163 HydrophobicContact CD1-CB 4.16Å; L102-M163 HydrophobicContact CD1-CG 4.09Å; L121-M163 HydrophobicContact CB-SD 4.12Å; L121-M163 HydrophobicContact CD1-CB 4.03Å; L121-M163 HydrophobicContact CD2-CB 4.28Å; L121-M163 HydrophobicContact CD2-CG 4.15Å; L121-M163 HydrophobicContact CD2-SD 3.76Å; L121-M163 HydrophobicContact CG-SD 4.35Å; T124-M163 HydrophobicContact CG2-CE 3.76Å; V125-M163 HydrophobicContact CG2-SD 4.41Å; Y141-M163 HydrophobicContact CE2-CE 4.36Å; Y141-M163 HydrophobicContact CE2-CG 4.44Å; Y141-M163 WeakPolarHBondContact OH-CG 3.25Å; A159-M163 PolarHBondContact O-N 3.01Å; E160-M163 PolarHBondContact O-N 3.37Å; M163-A165 VanDerWaalsContact C-N 3.34Å; M163-A165 PolarHBondContact O-N 3.42Å; M163-R166 PolarHBondContact O-N 2.82Å; M163-R166 VanDerWaalsContact O-N 3.17Å; M163-L167 HydrophobicContact CE-CD1 4.13Å; M163-L167 HydrophobicContact CE-CD2 4Å; M163-L167 HydrophobicContact CE-CG 4.02Å; M163-L167 HydrophobicContact CG-CD1 4.29Å; M163-L167 WeakPolarHBondContact O-CG 3.37Å; M163-L167 PolarHBondContact O-N 3.36Å; M163-L167 HydrophobicContact SD-CG 4.3Å |
| 164 | I | 93.4 | Very high | 90.1 | Very high | 12 Ų | 12 | 51 Ų | 51 | 6% | 0.062 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 177.7 | -71.5 | 171.1 | 0 | 0 | 0 | 111.4 | L145 E160 E161 T162 R166 L167 K168 V176 F179 A180 I183 | L145-I164 HydrophobicContact CD2-CD1 4.31Å; E160-I164 WeakPolarHBondContact O-CG1 3.14Å; E160-I164 PolarHBondContact O-N 3.47Å; E161-I164 PolarHBondContact O-N 3.32Å; T162-I164 VanDerWaalsContact C-N 3.35Å; T162-I164 PolarHBondContact O-N 3.37Å; I164-R166 VanDerWaalsContact C-N 3.29Å; I164-R166 PolarHBondContact O-N 3.32Å; I164-L167 PolarHBondContact O-N 2.95Å; I164-K168 WeakPolarHBondContact O-CB 3.35Å; I164-K168 PolarHBondContact O-N 3.33Å; I164-V176 HydrophobicContact CG2-CB 4.01Å; I164-V176 HydrophobicContact CG2-CG1 4.45Å; I164-V176 HydrophobicContact CG2-CG2 4.37Å; I164-F179 HydrophobicContact CD1-CB 3.67Å; I164-F179 HydrophobicContact CG1-CB 3.97Å; I164-A180 HydrophobicContact CG2-CB 4.43Å; I164-I183 HydrophobicContact CD1-CD1 3.41Å; I164-I183 VanDerWaalsContact CD1-CD1 3.41Å; I164-I183 HydrophobicContact CD1-CG1 3.9Å |
| 165 | A | 93 | Very high | 90.1 | Very high | 51 Ų | 51 | 50.9 Ų | 50.9 | 42% | 0.421 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E161 T162 M163 K168 V169 | E161-A165 WeakPolarHBondContact O-CB 3.47Å; E161-A165 PolarHBondContact O-N 3.15Å; T162-A165 PolarHBondContact O-N 3.44Å; M163-A165 VanDerWaalsContact C-N 3.34Å; M163-A165 PolarHBondContact O-N 3.42Å; A165-K168 WeakPolarHBondContact O-CB 3.42Å; A165-K168 PolarHBondContact O-N 3.01Å; A165-V169 WeakPolarHBondContact O-CG2 3.23Å; A165-V169 PolarHBondContact O-N 3.33Å |
| 166 | R | 91.4 | Very high | 90.5 | Very high | 114 Ų | 114 | 49.4 Ų | 49.4 | 43% | 0.43 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70 | -42.7 | 176.3 | -61.6 | -69 | 179.6 | -176.9 | 0.2 | 112.4 | N122 V125 T162 M163 I164 K168 V169 A170 | N122-R166 WeakPolarHBondContact OD1-CD 3.5Å; N122-R166 PolarHBondContact OD1-NE 2.93Å; V125-R166 HydrophobicContact CG2-CB 3.75Å; T162-R166 VanDerWaalsContact O-CG 3.3Å; T162-R166 WeakPolarHBondContact O-CG 3.47Å; T162-R166 PolarHBondContact O-N 2.82Å; M163-R166 PolarHBondContact O-N 2.82Å; M163-R166 VanDerWaalsContact O-N 3.17Å; I164-R166 VanDerWaalsContact C-N 3.29Å; I164-R166 PolarHBondContact O-N 3.32Å; R166-K168 PolarHBondContact O-N 2.8Å; R166-V169 PolarHBondContact O-N 3.04Å; R166-V169 VanDerWaalsContact O-N 3.17Å; R166-A170 PolarHBondContact O-N 2.8Å; R166-A170 VanDerWaalsContact O-N 3.13Å |
| 167 | L | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.2 | -36.1 | 172.7 | -70.3 | 176.3 | 0 | 0 | 0 | 111.7 | V125 L128 F137 Y141 M163 I164 V169 A170 C171 V176 | V125-L167 HydrophobicContact CG2-CD2 4.47Å; L128-L167 HydrophobicContact CD2-CD2 3.47Å; L128-L167 VanDerWaalsContact CD2-CD2 3.47Å; F137-L167 HydrophobicContact CE1-CD1 4.32Å; F137-L167 HydrophobicContact CE1-CD2 3.8Å; F137-L167 HydrophobicContact CZ-CD2 4.15Å; Y141-L167 HydrophobicContact CD1-CD1 4.24Å; Y141-L167 HydrophobicContact CE1-CD1 3.93Å; M163-L167 HydrophobicContact CE-CD1 4.13Å; M163-L167 HydrophobicContact CE-CD2 4Å; M163-L167 HydrophobicContact CE-CG 4.02Å; M163-L167 HydrophobicContact CG-CD1 4.29Å; M163-L167 WeakPolarHBondContact O-CG 3.37Å; M163-L167 PolarHBondContact O-N 3.36Å; M163-L167 HydrophobicContact SD-CG 4.3Å; I164-L167 PolarHBondContact O-N 2.95Å; L167-V169 VanDerWaalsContact C-N 3.34Å; L167-V169 PolarHBondContact O-N 3.27Å; L167-A170 PolarHBondContact O-N 3.26Å; L167-C171 PolarHBondContact O-N 3.46Å; L167-V176 HydrophobicContact CB-CG1 3.6Å |
| 168 | K | 92.7 | Very high | 90.8 | Very high | 104 Ų | 104 | 51.9 Ų | 51.9 | 45% | 0.452 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 175.6 | -172.9 | 177.9 | 169.8 | 178.4 | 0 | 111.8 | I164 A165 R166 A170 G172 F173 V176 | I164-K168 WeakPolarHBondContact O-CB 3.35Å; I164-K168 PolarHBondContact O-N 3.33Å; A165-K168 WeakPolarHBondContact O-CB 3.42Å; A165-K168 PolarHBondContact O-N 3.01Å; R166-K168 PolarHBondContact O-N 2.8Å; K168-A170 VanDerWaalsContact C-N 3.35Å; K168-G172 CarbonylContact O-C 3.57Å; K168-G172 WeakPolarHBondContact O-CA 3.47Å; K168-G172 PolarHBondContact O-N 3.47Å; K168-F173 HydrophobicContact CD-CD2 4.45Å; K168-V176 HydrophobicContact CB-CG1 4.31Å; K168-V176 HydrophobicContact CB-CG2 3.73Å; K168-V176 HydrophobicContact CD-CG2 4.29Å; K168-V176 HydrophobicContact CG-CG2 3.88Å |
| 169 | V | 90.1 | Very high | 91.1 | Very high | 123 Ų | 123 | 47.2 Ų | 47.2 | 75% | 0.745 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -65.8 | -39.7 | 177.4 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | A165 R166 L167 | A165-V169 WeakPolarHBondContact O-CG2 3.23Å; A165-V169 PolarHBondContact O-N 3.33Å; R166-V169 PolarHBondContact O-N 3.04Å; R166-V169 VanDerWaalsContact O-N 3.17Å; L167-V169 VanDerWaalsContact C-N 3.34Å; L167-V169 PolarHBondContact O-N 3.27Å |
| 170 | A | 86.7 | Confident | 91.2 | Very high | 39 Ų | 39 | 49 Ų | 49 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -80.9 | -37.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V125 R166 L167 K168 | V125-A170 HydrophobicContact CG1-CB 3.57Å; R166-A170 PolarHBondContact O-N 2.8Å; R166-A170 VanDerWaalsContact O-N 3.13Å; L167-A170 PolarHBondContact O-N 3.26Å; K168-A170 VanDerWaalsContact C-N 3.35Å |
| 171 | C | 89.2 | Confident | 91.3 | Very high | 21 Ų | 21 | 52.9 Ų | 52.9 | 14% | 0.142 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -120.6 | -4.9 | -170.7 | -57.4 | 0 | 0 | 0 | 0 | 114 | L167 F175 | L167-C171 PolarHBondContact O-N 3.46Å; C171-F175 HydrophobicContact CB-CB 3.72Å; C171-F175 HydrophobicContact CB-CD1 3.64Å; C171-F175 HydrophobicContact CB-CD2 3.76Å; C171-F175 HydrophobicContact CB-CE1 4.12Å; C171-F175 HydrophobicContact CB-CE2 4.23Å; C171-F175 HydrophobicContact CB-CG 3.42Å; C171-F175 VanDerWaalsContact CB-CG 3.42Å; C171-F175 HydrophobicContact CB-CZ 4.37Å |
| 172 | G | 89.2 | Confident | 91.3 | Very high | 31 Ų | 31 | 49.7 Ų | 49.7 | 32% | 0.32 | 27% | 0.267 | S | S | . | . | trans | 89.3 | 172.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | K168 F175 | K168-G172 CarbonylContact O-C 3.57Å; K168-G172 WeakPolarHBondContact O-CA 3.47Å; K168-G172 PolarHBondContact O-N 3.47Å; G172-F175 WeakPolarHBondContact O-CB 3.39Å; G172-F175 PolarHBondContact O-N 3.04Å | ||
| 173 | F | 90.3 | Very high | 91.4 | Very high | 121 Ų | 121 | 47.8 Ų | 47.8 | 53% | 0.531 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.4 | -45.8 | -174.2 | 177.2 | -102.1 | 0 | 0 | 0 | 113.7 | K168 F175 V176 S177 | K168-F173 HydrophobicContact CD-CD2 4.45Å; F173-F175 PolarHBondContact O-N 3.41Å; F173-F175 VanDerWaalsContact O-N 3.16Å; F173-V176 WeakPolarHBondContact O-CG2 3.38Å; F173-V176 PolarHBondContact O-N 3Å; F173-V176 VanDerWaalsContact O-N 3.08Å; F173-S177 PolarHBondContact O-N 3.41Å |
| 174 | E | 87.6 | Confident | 91.3 | Very high | 120 Ų | 120 | 52 Ų | 52 | 56% | 0.561 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.2 | -28.7 | 180 | -74 | -60.3 | 128.8 | 0 | 0 | 113 | R138 S177 | R138-E174 PolarHBondContact NH2-O 3.33Å; R138-E174 VanDerWaalsContact NH2-O 3.14Å; E174-S177 PolarHBondContact O-OG 3.39Å |
| 175 | F | 88.8 | Confident | 91.2 | Very high | 9 Ų | 9 | 51.7 Ų | 51.7 | 4% | 0.039 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 177.3 | -167.4 | -92.9 | 0 | 0 | 0 | 111.3 | K134 F137 R138 C171 G172 F173 F179 | K134-F175 HydrophobicContact CB-CE2 3.95Å; K134-F175 HydrophobicContact CB-CZ 4.4Å; K134-F175 WeakPolarHBondContact O-CE2 3.35Å; K134-F175 WeakPolarHBondContact O-CZ 3.29Å; F137-F175 HydrophobicContact CD1-CE1 4.28Å; F137-F175 HydrophobicContact CD1-CZ 4.01Å; F137-F175 HydrophobicContact CE1-CE1 4.42Å; R138-F175 HydrophobicContact CB-CE1 4.09Å; R138-F175 HydrophobicContact CB-CE2 3.72Å; R138-F175 HydrophobicContact CB-CZ 3.48Å; R138-F175 VanDerWaalsContact CB-CZ 3.48Å; R138-F175 HydrophobicContact CG-CD1 4.42Å; R138-F175 HydrophobicContact CG-CD2 4.41Å; R138-F175 HydrophobicContact CG-CE1 4.07Å; R138-F175 HydrophobicContact CG-CE2 4.05Å; R138-F175 HydrophobicContact CG-CZ 3.89Å; R138-F175 PolarHBondContact NE-O 3.29Å; R138-F175 PolarHBondContact NH2-O 3.25Å; C171-F175 HydrophobicContact CB-CB 3.72Å; C171-F175 HydrophobicContact CB-CD1 3.64Å; C171-F175 HydrophobicContact CB-CD2 3.76Å; C171-F175 HydrophobicContact CB-CE1 4.12Å; C171-F175 HydrophobicContact CB-CE2 4.23Å; C171-F175 HydrophobicContact CB-CG 3.42Å; C171-F175 VanDerWaalsContact CB-CG 3.42Å; C171-F175 HydrophobicContact CB-CZ 4.37Å; G172-F175 WeakPolarHBondContact O-CB 3.39Å; G172-F175 PolarHBondContact O-N 3.04Å; F173-F175 PolarHBondContact O-N 3.41Å; F173-F175 VanDerWaalsContact O-N 3.16Å; F175-F179 HydrophobicContact CE1-CE2 4.41Å |
| 176 | V | 93 | Very high | 91.1 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -98.4 | -9 | -171.9 | -61.1 | 0 | 0 | 0 | 0 | 115.1 | I164 L167 K168 F173 K178 F179 A180 | I164-V176 HydrophobicContact CG2-CB 4.01Å; I164-V176 HydrophobicContact CG2-CG1 4.45Å; I164-V176 HydrophobicContact CG2-CG2 4.37Å; L167-V176 HydrophobicContact CB-CG1 3.6Å; K168-V176 HydrophobicContact CB-CG1 4.31Å; K168-V176 HydrophobicContact CB-CG2 3.73Å; K168-V176 HydrophobicContact CD-CG2 4.29Å; K168-V176 HydrophobicContact CG-CG2 3.88Å; F173-V176 WeakPolarHBondContact O-CG2 3.38Å; F173-V176 PolarHBondContact O-N 3Å; F173-V176 VanDerWaalsContact O-N 3.08Å; V176-K178 PolarHBondContact O-N 3.05Å; V176-K178 VanDerWaalsContact O-N 3.14Å; V176-F179 HydrophobicContact CB-CD2 4.36Å; V176-F179 HydrophobicContact CG1-CD2 4.4Å; V176-F179 WeakPolarHBondContact O-CA 3.43Å; V176-F179 WeakPolarHBondContact O-CB 3.43Å; V176-F179 PolarHBondContact O-N 3.5Å; V176-A180 PolarHBondContact O-N 2.78Å |
| 177 | S | 91.8 | Very high | 91.1 | Very high | 34 Ų | 34 | 48 Ų | 48 | 24% | 0.238 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -51.1 | -42.4 | -173.1 | 59.7 | 0 | 0 | 0 | 0 | 113.2 | F173 E174 R181 | F173-S177 PolarHBondContact O-N 3.41Å; E174-S177 PolarHBondContact O-OG 3.39Å; S177-R181 PolarHBondContact O-N 3.06Å |
| 178 | K | 91.3 | Very high | 91 | Very high | 87 Ų | 87 | 51.6 Ų | 51.6 | 38% | 0.378 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 175.2 | -66.8 | -171.4 | 174.4 | -160.4 | 0 | 112.7 | V176 R181 M182 G221 A222 | V176-K178 PolarHBondContact O-N 3.05Å; V176-K178 VanDerWaalsContact O-N 3.14Å; K178-R181 WeakPolarHBondContact O-CB 3.41Å; K178-R181 PolarHBondContact O-N 2.82Å; K178-M182 VanDerWaalsContact O-CG 3.29Å; K178-M182 WeakPolarHBondContact O-CG 3.47Å; K178-M182 PolarHBondContact O-N 3.47Å; K178-G221 WeakPolarHBondContact CE-O 3.36Å; K178-G221 PolarHBondContact NZ-O 2.82Å; K178-A222 HydrophobicContact CB-CB 4.15Å; K178-A222 HydrophobicContact CG-CB 4.39Å |
| 179 | F | 93.9 | Very high | 90.9 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.1 | -43 | 179.6 | -52.7 | -29.9 | 0 | 0 | 0 | 111.7 | R138 Y141 G142 L145 I164 F175 V176 R181 M182 I183 | R138-F179 HydrophobicContact CB-CZ 4.43Å; R138-F179 HydrophobicContact CG-CE1 4.41Å; R138-F179 HydrophobicContact CG-CE2 4.08Å; R138-F179 HydrophobicContact CG-CZ 3.52Å; R138-F179 VanDerWaalsContact O-CZ 3.29Å; R138-F179 WeakPolarHBondContact O-CZ 3.3Å; Y141-F179 HydrophobicContact CD1-CD2 4.2Å; Y141-F179 HydrophobicContact CD1-CE1 4.46Å; Y141-F179 AromaticContact CD1-CE2 3.81Å; Y141-F179 HydrophobicContact CD1-CE2 3.81Å; Y141-F179 AromaticContact CD1-CZ 3.94Å; Y141-F179 HydrophobicContact CD1-CZ 3.94Å; Y141-F179 HydrophobicContact CE1-CD2 4.31Å; Y141-F179 HydrophobicContact CE1-CE2 4.35Å; G142-F179 VanDerWaalsContact CA-CE1 3.45Å; L145-F179 HydrophobicContact CD2-CB 3.62Å; L145-F179 HydrophobicContact CD2-CD1 3.94Å; L145-F179 HydrophobicContact CD2-CG 3.91Å; I164-F179 HydrophobicContact CD1-CB 3.67Å; I164-F179 HydrophobicContact CG1-CB 3.97Å; F175-F179 HydrophobicContact CE1-CE2 4.41Å; V176-F179 HydrophobicContact CB-CD2 4.36Å; V176-F179 HydrophobicContact CG1-CD2 4.4Å; V176-F179 WeakPolarHBondContact O-CA 3.43Å; V176-F179 WeakPolarHBondContact O-CB 3.43Å; V176-F179 PolarHBondContact O-N 3.5Å; F179-R181 VanDerWaalsContact C-N 3.25Å; F179-R181 PolarHBondContact O-N 2.93Å; F179-M182 HydrophobicContact CD1-SD 4.17Å; F179-M182 WeakPolarHBondContact O-CB 3.35Å; F179-M182 PolarHBondContact O-N 3.26Å; F179-M182 VanDerWaalsContact O-N 3.14Å; F179-I183 PolarHBondContact O-N 2.89Å; F179-I183 VanDerWaalsContact O-N 3.12Å |
| 180 | A | 92.8 | Very high | 90.8 | Very high | 41 Ų | 41 | 46.1 Ų | 46.1 | 34% | 0.339 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.1 | -39.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I164 V176 I183 M184 | I164-A180 HydrophobicContact CG2-CB 4.43Å; V176-A180 PolarHBondContact O-N 2.78Å; A180-I183 PolarHBondContact O-N 3.21Å; A180-M184 PolarHBondContact O-N 2.99Å; A180-M184 VanDerWaalsContact O-N 3.12Å |
| 181 | R | 92.3 | Very high | 91 | Very high | 80 Ų | 80 | 49.9 Ų | 49.9 | 30% | 0.302 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.3 | -41 | 174.3 | -171.6 | 67.6 | -163.9 | -177.4 | -1.6 | 112.6 | S177 K178 F179 I183 M184 D185 A222 | S177-R181 PolarHBondContact O-N 3.06Å; K178-R181 WeakPolarHBondContact O-CB 3.41Å; K178-R181 PolarHBondContact O-N 2.82Å; F179-R181 VanDerWaalsContact C-N 3.25Å; F179-R181 PolarHBondContact O-N 2.93Å; R181-I183 VanDerWaalsContact C-N 3.35Å; R181-I183 PolarHBondContact O-N 3.21Å; R181-M184 PolarHBondContact NH1-SD 3.18Å; R181-M184 PolarHBondContact O-N 3.46Å; R181-D185 IonicContact CZ-OD1 2.68Å; R181-D185 IonicContact NE-OD1 3.71Å; R181-D185 PolarHBondContact NE-OD1 3.5Å; R181-D185 IonicContact NH2-OD1 3.55Å; R181-D185 PolarHBondContact O-N 3.05Å; R181-A222 HydrophobicContact CB-CB 4.07Å; R181-A222 HydrophobicContact CG-CB 4.13Å |
| 182 | M | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 177.7 | -67 | 162.9 | 61.8 | 0 | 0 | 112.2 | L145 A146 L149 K178 F179 D185 V186 A222 W223 | L145-M182 HydrophobicContact CB-CE 4.28Å; L145-M182 HydrophobicContact CD2-CE 4.07Å; L145-M182 HydrophobicContact CD2-SD 4.3Å; L145-M182 HydrophobicContact CG-CE 3.93Å; A146-M182 HydrophobicContact CB-CE 3.45Å; A146-M182 VanDerWaalsContact CB-CE 3.45Å; A146-M182 VanDerWaalsContact N-CE 3.35Å; L149-M182 HydrophobicContact CD1-CB 3.88Å; L149-M182 HydrophobicContact CD1-CE 4.24Å; K178-M182 VanDerWaalsContact O-CG 3.29Å; K178-M182 WeakPolarHBondContact O-CG 3.47Å; K178-M182 PolarHBondContact O-N 3.47Å; F179-M182 HydrophobicContact CD1-SD 4.17Å; F179-M182 WeakPolarHBondContact O-CB 3.35Å; F179-M182 PolarHBondContact O-N 3.26Å; F179-M182 VanDerWaalsContact O-N 3.14Å; M182-D185 PolarHBondContact O-N 2.9Å; M182-V186 WeakPolarHBondContact O-CG2 3.3Å; M182-V186 PolarHBondContact O-N 3.4Å; M182-A222 HydrophobicContact CG-CB 4.31Å; M182-W223 HydrophobicContact CB-CD2 4.48Å; M182-W223 HydrophobicContact CB-CH2 4.01Å; M182-W223 HydrophobicContact CB-CZ2 3.73Å; M182-W223 HydrophobicContact CB-CZ3 4.5Å; M182-W223 HydrophobicContact CE-CD2 4.46Å; M182-W223 HydrophobicContact CE-CE3 3.92Å; M182-W223 HydrophobicContact CE-CH2 4.42Å; M182-W223 HydrophobicContact CE-CZ3 3.9Å; M182-W223 HydrophobicContact CG-CD2 3.88Å; M182-W223 HydrophobicContact CG-CE3 4.25Å; M182-W223 HydrophobicContact CG-CG 4.28Å; M182-W223 HydrophobicContact CG-CH2 4.4Å; M182-W223 HydrophobicContact CG-CZ2 4.05Å; M182-W223 HydrophobicContact CG-CZ3 4.5Å; M182-W223 WeakPolarHBondContact O-CZ2 3Å |
| 183 | I | 92.7 | Very high | 90.7 | Very high | 8 Ų | 8 | 49.2 Ų | 49.2 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.8 | -48.1 | 174.9 | -71.2 | -163.7 | 0 | 0 | 0 | 111 | L149 L157 E160 E161 I164 F179 A180 R181 D185 V186 E187 | L149-I183 HydrophobicContact CD1-CG1 4.36Å; L157-I183 HydrophobicContact CD1-CD1 4.34Å; L157-I183 HydrophobicContact CD1-CG1 4.32Å; L157-I183 HydrophobicContact CD1-CG2 3.95Å; L157-I183 HydrophobicContact CD2-CG2 4.22Å; L157-I183 HydrophobicContact CG-CG2 4.07Å; E160-I183 HydrophobicContact CB-CD1 3.65Å; E161-I183 HydrophobicContact CG-CD1 3.76Å; E161-I183 HydrophobicContact CG-CG2 4.04Å; I164-I183 HydrophobicContact CD1-CD1 3.41Å; I164-I183 VanDerWaalsContact CD1-CD1 3.41Å; I164-I183 HydrophobicContact CD1-CG1 3.9Å; F179-I183 PolarHBondContact O-N 2.89Å; F179-I183 VanDerWaalsContact O-N 3.12Å; A180-I183 PolarHBondContact O-N 3.21Å; R181-I183 VanDerWaalsContact C-N 3.35Å; R181-I183 PolarHBondContact O-N 3.21Å; I183-D185 VanDerWaalsContact C-N 3.33Å; I183-D185 PolarHBondContact O-N 2.9Å; I183-V186 PolarHBondContact O-N 3.47Å; I183-V186 VanDerWaalsContact O-N 3.17Å; I183-E187 PolarHBondContact O-N 3.27Å |
| 184 | M | 91.9 | Very high | 90.5 | Very high | 89 Ų | 89 | 47.8 Ų | 47.8 | 44% | 0.438 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.5 | -42.9 | -180 | -174.3 | -176.3 | -66 | 0 | 0 | 112.1 | A180 R181 V186 E187 I188 | A180-M184 PolarHBondContact O-N 2.99Å; A180-M184 VanDerWaalsContact O-N 3.12Å; R181-M184 PolarHBondContact NH1-SD 3.18Å; R181-M184 PolarHBondContact O-N 3.46Å; M184-V186 VanDerWaalsContact C-N 3.33Å; M184-V186 PolarHBondContact O-N 3.43Å; M184-E187 PolarHBondContact O-N 2.89Å; M184-I188 HydrophobicContact CG-CD1 3.78Å; M184-I188 HydrophobicContact CG-CG1 4.4Å; M184-I188 WeakPolarHBondContact O-CB 3.33Å; M184-I188 VanDerWaalsContact O-CG1 3.29Å; M184-I188 WeakPolarHBondContact O-CG1 3.47Å; M184-I188 PolarHBondContact O-N 3.43Å; M184-I188 HydrophobicContact SD-CD1 4.45Å |
| 185 | D | 91.3 | Very high | 90.4 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.3 | -42.5 | 177.2 | -76.3 | -2.1 | 0 | 0 | 0 | 111.5 | R181 M182 I183 E187 S189 Q217 W223 | R181-D185 IonicContact CZ-OD1 2.68Å; R181-D185 IonicContact NE-OD1 3.71Å; R181-D185 PolarHBondContact NE-OD1 3.5Å; R181-D185 IonicContact NH2-OD1 3.55Å; R181-D185 PolarHBondContact O-N 3.05Å; M182-D185 PolarHBondContact O-N 2.9Å; I183-D185 VanDerWaalsContact C-N 3.33Å; I183-D185 PolarHBondContact O-N 2.9Å; D185-E187 VanDerWaalsContact C-N 3.35Å; D185-E187 PolarHBondContact O-N 3.35Å; D185-S189 VanDerWaalsContact O-CB 3.23Å; D185-S189 WeakPolarHBondContact O-CB 3.33Å; D185-S189 PolarHBondContact O-N 3.27Å; D185-Q217 WeakPolarHBondContact OD2-CB 3.29Å; D185-Q217 PolarHBondContact OD2-N 2.98Å; D185-W223 HydrophobicContact CB-CZ2 4.08Å; D185-W223 PolarHBondContact OD2-NE1 2.92Å |
| 186 | V | 90.7 | Very high | 90.1 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.024 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65 | -39.4 | 177.5 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | L149 M182 I183 M184 S189 K190 L216 W223 | L149-V186 HydrophobicContact CB-CG2 4.05Å; L149-V186 HydrophobicContact CD1-CG2 4.26Å; L149-V186 HydrophobicContact CD2-CG2 4.45Å; L149-V186 HydrophobicContact CG-CG2 4.48Å; M182-V186 WeakPolarHBondContact O-CG2 3.3Å; M182-V186 PolarHBondContact O-N 3.4Å; I183-V186 PolarHBondContact O-N 3.47Å; I183-V186 VanDerWaalsContact O-N 3.17Å; M184-V186 VanDerWaalsContact C-N 3.33Å; M184-V186 PolarHBondContact O-N 3.43Å; V186-S189 PolarHBondContact O-N 2.89Å; V186-K190 WeakPolarHBondContact O-CG 3.48Å; V186-K190 PolarHBondContact O-N 3.22Å; V186-L216 HydrophobicContact CG2-CD2 4.13Å; V186-W223 HydrophobicContact CG2-CH2 3.76Å; V186-W223 HydrophobicContact CG2-CZ2 4.05Å |
| 187 | E | 91.4 | Very high | 89.6 | Confident | 83 Ų | 83 | 48.7 Ų | 48.7 | 39% | 0.388 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.2 | -47.6 | 179.4 | -170.6 | 166.3 | -152 | 0 | 0 | 112.1 | I183 M184 D185 S189 K190 Q191 | I183-E187 PolarHBondContact O-N 3.27Å; M184-E187 PolarHBondContact O-N 2.89Å; D185-E187 VanDerWaalsContact C-N 3.35Å; D185-E187 PolarHBondContact O-N 3.35Å; E187-S189 PolarHBondContact O-N 2.87Å; E187-K190 PolarHBondContact O-N 3.37Å; E187-K190 VanDerWaalsContact O-N 3.11Å; E187-Q191 WeakPolarHBondContact O-CG 3.44Å; E187-Q191 PolarHBondContact O-N 2.97Å; E187-Q191 VanDerWaalsContact O-N 3.07Å |
| 188 | I | 90.4 | Very high | 89.4 | Confident | 76 Ų | 76 | 55.1 Ų | 55.1 | 39% | 0.39 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.9 | -42.1 | 173.5 | -67.8 | 169.3 | 0 | 0 | 0 | 110 | M184 K190 Q191 F192 | M184-I188 HydrophobicContact CG-CD1 3.78Å; M184-I188 HydrophobicContact CG-CG1 4.4Å; M184-I188 WeakPolarHBondContact O-CB 3.33Å; M184-I188 VanDerWaalsContact O-CG1 3.29Å; M184-I188 WeakPolarHBondContact O-CG1 3.47Å; M184-I188 PolarHBondContact O-N 3.43Å; M184-I188 HydrophobicContact SD-CD1 4.45Å; I188-K190 VanDerWaalsContact C-N 3.32Å; I188-K190 PolarHBondContact O-N 3.39Å; I188-Q191 PolarHBondContact O-N 3.31Å; I188-F192 WeakPolarHBondContact O-CB 3.26Å; I188-F192 PolarHBondContact O-N 3.3Å |
| 189 | S | 89.9 | Confident | 89 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 177.8 | -177.7 | 0 | 0 | 0 | 0 | 113 | D185 V186 E187 F192 A193 Q214 V215 | D185-S189 VanDerWaalsContact O-CB 3.23Å; D185-S189 WeakPolarHBondContact O-CB 3.33Å; D185-S189 PolarHBondContact O-N 3.27Å; V186-S189 PolarHBondContact O-N 2.89Å; E187-S189 PolarHBondContact O-N 2.87Å; S189-F192 PolarHBondContact O-N 2.61Å; S189-A193 WeakPolarHBondContact O-CB 3.47Å; S189-A193 PolarHBondContact O-N 3.18Å; S189-Q214 VanDerWaalsContact OG-CA 3.24Å; S189-Q214 WeakPolarHBondContact OG-CA 3.01Å; S189-V215 WeakPolarHBondContact CB-O 3.33Å; S189-V215 PolarHBondContact OG-N 2.76Å |
| 190 | K | 89 | Confident | 88.5 | Confident | 109 Ų | 109 | 56.5 Ų | 56.5 | 47% | 0.474 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.9 | -41 | 176.4 | -75.6 | 172.9 | -179.2 | 175.8 | 0 | 111.3 | V186 E187 I188 A193 N194 | V186-K190 WeakPolarHBondContact O-CG 3.48Å; V186-K190 PolarHBondContact O-N 3.22Å; E187-K190 PolarHBondContact O-N 3.37Å; E187-K190 VanDerWaalsContact O-N 3.11Å; I188-K190 VanDerWaalsContact C-N 3.32Å; I188-K190 PolarHBondContact O-N 3.39Å; K190-A193 PolarHBondContact O-N 2.89Å; K190-N194 PolarHBondContact O-N 2.83Å; K190-N194 PolarHBondContact O-ND2 3.29Å |
| 191 | Q | 89.3 | Confident | 88.1 | Confident | 119 Ų | 119 | 61.2 Ų | 61.2 | 56% | 0.556 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.3 | -46.3 | 175.9 | -66.8 | 175.2 | 6 | 0 | 0 | 110.8 | E187 I188 N194 E195 | E187-Q191 WeakPolarHBondContact O-CG 3.44Å; E187-Q191 PolarHBondContact O-N 2.97Å; E187-Q191 VanDerWaalsContact O-N 3.07Å; I188-Q191 PolarHBondContact O-N 3.31Å; Q191-N194 PolarHBondContact O-N 2.75Å; Q191-E195 PolarHBondContact O-N 3.15Å |
| 192 | F | 88.1 | Confident | 87.8 | Confident | 14 Ų | 14 | 61.8 Ų | 61.8 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 177 | -172.9 | -103.6 | 0 | 0 | 0 | 112.5 | I188 S189 N194 E195 V196 V215 F256 I259 Y260 H263 | I188-F192 WeakPolarHBondContact O-CB 3.26Å; I188-F192 PolarHBondContact O-N 3.3Å; S189-F192 PolarHBondContact O-N 2.61Å; F192-N194 VanDerWaalsContact C-N 3.32Å; F192-N194 PolarHBondContact O-N 3.35Å; F192-E195 WeakPolarHBondContact O-CB 3.45Å; F192-E195 PolarHBondContact O-N 2.86Å; F192-V196 HydrophobicContact CD1-CG2 4.22Å; F192-V196 HydrophobicContact CE1-CG2 3.75Å; F192-V196 HydrophobicContact CZ-CG2 3.96Å; F192-V196 WeakPolarHBondContact O-CG2 3.48Å; F192-V196 PolarHBondContact O-N 3.17Å; F192-V215 HydrophobicContact CD1-CG2 4.43Å; F192-F256 AromaticContact CD1-CE2 3.77Å; F192-F256 HydrophobicContact CD1-CE2 3.77Å; F192-F256 AromaticContact CD1-CZ 3.74Å; F192-F256 HydrophobicContact CD1-CZ 3.74Å; F192-F256 HydrophobicContact CE1-CD2 4.21Å; F192-F256 HydrophobicContact CE1-CE1 4.16Å; F192-F256 AromaticContact CE1-CE2 3.49Å; F192-F256 HydrophobicContact CE1-CE2 3.49Å; F192-F256 VanDerWaalsContact CE1-CE2 3.49Å; F192-F256 AromaticContact CE1-CZ 3.45Å; F192-F256 HydrophobicContact CE1-CZ 3.45Å; F192-F256 VanDerWaalsContact CE1-CZ 3.45Å; F192-I259 HydrophobicContact CE2-CG2 4.1Å; F192-I259 HydrophobicContact CZ-CB 4.46Å; F192-I259 HydrophobicContact CZ-CG2 3.87Å; F192-Y260 HydrophobicContact CD1-CD2 4.3Å; F192-Y260 AromaticContact CE1-CD2 3.71Å; F192-Y260 HydrophobicContact CE1-CD2 3.71Å; F192-Y260 HydrophobicContact CE1-CG 4.43Å; F192-Y260 HydrophobicContact CE2-CD2 4.43Å; F192-Y260 AromaticContact CZ-CD2 3.79Å; F192-Y260 HydrophobicContact CZ-CD2 3.79Å; F192-Y260 HydrophobicContact CZ-CG 4.31Å; F192-H263 HydrophobicContact CE2-CB 4.31Å |
| 193 | A | 85.1 | Confident | 87.4 | Confident | 24 Ų | 24 | 66 Ų | 66 | 20% | 0.198 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.6 | -43.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S189 K190 E195 V196 T197 | S189-A193 WeakPolarHBondContact O-CB 3.47Å; S189-A193 PolarHBondContact O-N 3.18Å; K190-A193 PolarHBondContact O-N 2.89Å; A193-E195 VanDerWaalsContact C-N 3.31Å; A193-E195 PolarHBondContact O-N 3.22Å; A193-V196 PolarHBondContact O-N 3.41Å; A193-T197 PolarHBondContact O-N 3.43Å; A193-T197 PolarHBondContact O-OG1 3.5Å; A193-T197 VanDerWaalsContact O-OG1 3.09Å |
| 194 | N | 86.3 | Confident | 86.8 | Confident | 90 Ų | 90 | 68.4 Ų | 68.4 | 48% | 0.481 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 176.3 | -67.2 | -21.3 | 0 | 0 | 0 | 112.4 | K190 Q191 F192 T197 R198 | K190-N194 PolarHBondContact O-N 2.83Å; K190-N194 PolarHBondContact O-ND2 3.29Å; Q191-N194 PolarHBondContact O-N 2.75Å; F192-N194 VanDerWaalsContact C-N 3.32Å; F192-N194 PolarHBondContact O-N 3.35Å; N194-T197 PolarHBondContact O-N 3.27Å; N194-R198 WeakPolarHBondContact O-CG 3.31Å; N194-R198 PolarHBondContact O-N 3.39Å |
| 195 | E | 85.6 | Confident | 86 | Confident | 79 Ų | 79 | 66.7 Ų | 66.7 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 174.7 | -179.4 | 171.9 | -156.1 | 0 | 0 | 111.6 | Q191 F192 A193 T197 R198 Y199 H263 | Q191-E195 PolarHBondContact O-N 3.15Å; F192-E195 WeakPolarHBondContact O-CB 3.45Å; F192-E195 PolarHBondContact O-N 2.86Å; A193-E195 VanDerWaalsContact C-N 3.31Å; A193-E195 PolarHBondContact O-N 3.22Å; E195-T197 VanDerWaalsContact C-N 3.34Å; E195-T197 PolarHBondContact O-N 2.78Å; E195-R198 PolarHBondContact O-N 3.27Å; E195-Y199 PolarHBondContact O-N 2.91Å; E195-H263 IonicContact OE1-CE1 2.9Å; E195-H263 PolarHBondContact OE1-CE1 3.06Å; E195-H263 IonicContact OE1-ND1 2.74Å; E195-H263 IonicContact OE1-NE2 2.78Å; E195-H263 PolarHBondContact OE1-NE2 3.19Å; E195-H263 IonicContact OE2-CE1 3.22Å |
| 196 | V | 82.3 | Confident | 85 | Confident | 7 Ų | 7 | 72.4 Ų | 72.4 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 174.3 | 174.4 | 0 | 0 | 0 | 0 | 111 | F192 A193 R198 Y199 L200 F256 I259 | F192-V196 HydrophobicContact CD1-CG2 4.22Å; F192-V196 HydrophobicContact CE1-CG2 3.75Å; F192-V196 HydrophobicContact CZ-CG2 3.96Å; F192-V196 WeakPolarHBondContact O-CG2 3.48Å; F192-V196 PolarHBondContact O-N 3.17Å; A193-V196 PolarHBondContact O-N 3.41Å; V196-R198 PolarHBondContact O-N 3.15Å; V196-Y199 WeakPolarHBondContact O-CB 3.4Å; V196-Y199 PolarHBondContact O-N 2.87Å; V196-L200 HydrophobicContact CG1-CD1 4.17Å; V196-L200 HydrophobicContact CG1-CG 4.45Å; V196-L200 WeakPolarHBondContact O-CG 3.41Å; V196-L200 PolarHBondContact O-N 3.33Å; V196-F256 HydrophobicContact CB-CD2 4.48Å; V196-F256 HydrophobicContact CG1-CD2 4.21Å; V196-F256 HydrophobicContact CG2-CD2 3.9Å; V196-F256 HydrophobicContact CG2-CE2 4.09Å; V196-I259 HydrophobicContact CB-CD1 4.38Å; V196-I259 HydrophobicContact CG1-CD1 4.01Å; V196-I259 HydrophobicContact CG2-CB 4.47Å; V196-I259 HydrophobicContact CG2-CD1 4.06Å; V196-I259 HydrophobicContact CG2-CG2 4.14Å |
| 197 | T | 82.7 | Confident | 83.8 | Confident | 64 Ų | 64 | 74.3 Ų | 74.3 | 39% | 0.393 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 176 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | A193 N194 E195 Y199 L200 E201 | A193-T197 PolarHBondContact O-N 3.43Å; A193-T197 PolarHBondContact O-OG1 3.5Å; A193-T197 VanDerWaalsContact O-OG1 3.09Å; N194-T197 PolarHBondContact O-N 3.27Å; E195-T197 VanDerWaalsContact C-N 3.34Å; E195-T197 PolarHBondContact O-N 2.78Å; T197-Y199 VanDerWaalsContact C-N 3.31Å; T197-Y199 PolarHBondContact O-N 3.3Å; T197-L200 PolarHBondContact O-N 2.95Å; T197-E201 WeakPolarHBondContact O-CG 3.47Å; T197-E201 PolarHBondContact O-N 3.41Å |
| 198 | R | 86.1 | Confident | 82.5 | Confident | 169 Ų | 169 | 76.5 Ų | 76.5 | 64% | 0.638 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63 | -37.2 | 176.2 | -70.4 | 175.6 | -164.7 | 165 | 3.6 | 112.5 | N194 E195 V196 E201 S202 | N194-R198 WeakPolarHBondContact O-CG 3.31Å; N194-R198 PolarHBondContact O-N 3.39Å; E195-R198 PolarHBondContact O-N 3.27Å; V196-R198 PolarHBondContact O-N 3.15Å; R198-E201 PolarHBondContact O-N 3.47Å; R198-S202 WeakPolarHBondContact O-CB 3.26Å; R198-S202 PolarHBondContact O-N 3.49Å; R198-S202 PolarHBondContact O-OG 3.43Å |
| 199 | Y | 84.5 | Confident | 81.5 | Confident | 109 Ų | 109 | 75.9 Ų | 75.9 | 43% | 0.427 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 175.2 | -178.7 | -88 | 0 | 0 | 0 | 111.3 | E195 V196 T197 S202 N203 I255 I259 | E195-Y199 PolarHBondContact O-N 2.91Å; V196-Y199 WeakPolarHBondContact O-CB 3.4Å; V196-Y199 PolarHBondContact O-N 2.87Å; T197-Y199 VanDerWaalsContact C-N 3.31Å; T197-Y199 PolarHBondContact O-N 3.3Å; Y199-S202 WeakPolarHBondContact CA-OG 3.18Å; Y199-S202 PolarHBondContact O-OG 3.08Å; Y199-S202 VanDerWaalsContact O-OG 3.06Å; Y199-N203 WeakPolarHBondContact CE1-ND2 3.38Å; Y199-N203 VanDerWaalsContact CE2-ND2 3.3Å; Y199-N203 WeakPolarHBondContact CE2-ND2 3.37Å; Y199-N203 WeakPolarHBondContact O-CB 3.48Å; Y199-N203 PolarHBondContact O-N 3.35Å; Y199-N203 VanDerWaalsContact O-N 3.17Å; Y199-N203 PolarHBondContact O-ND2 3.36Å; Y199-I255 HydrophobicContact CD1-CG2 4.48Å; Y199-I255 HydrophobicContact CE1-CG2 4.45Å; Y199-I259 HydrophobicContact CD1-CD1 3.52Å; Y199-I259 HydrophobicContact CD1-CG1 4.28Å; Y199-I259 HydrophobicContact CE1-CD1 4.06Å; Y199-I259 HydrophobicContact CE1-CG1 4.42Å; Y199-I259 HydrophobicContact CG-CD1 3.85Å |
| 200 | L | 82 | Confident | 80.6 | Confident | 15 Ų | 15 | 81.6 Ų | 81.6 | 8% | 0.079 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 176.4 | -68.7 | 170 | 0 | 0 | 0 | 111.4 | V196 T197 N203 G204 I205 T207 T252 I255 | V196-L200 HydrophobicContact CG1-CD1 4.17Å; V196-L200 HydrophobicContact CG1-CG 4.45Å; V196-L200 WeakPolarHBondContact O-CG 3.41Å; V196-L200 PolarHBondContact O-N 3.33Å; T197-L200 PolarHBondContact O-N 2.95Å; L200-N203 PolarHBondContact O-N 2.96Å; L200-G204 PolarHBondContact O-N 3.05Å; L200-I205 HydrophobicContact CD2-CB 3.89Å; L200-I205 HydrophobicContact CD2-CD1 4.26Å; L200-I205 HydrophobicContact CD2-CG2 3.77Å; L200-I205 PolarHBondContact O-N 3.32Å; L200-T207 HydrophobicContact CD1-CG2 4.33Å; L200-T252 HydrophobicContact CD1-CG2 4.26Å; L200-I255 HydrophobicContact CD2-CD1 3.86Å; L200-I255 HydrophobicContact CD2-CG2 3.9Å |
| 201 | E | 84.7 | Confident | 79.8 | Confident | 140 Ų | 140 | 80 Ų | 80 | 65% | 0.654 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.9 | -47 | 178.3 | -71.6 | 171.8 | 176.6 | 0 | 0 | 112.4 | T197 R198 N203 G204 | T197-E201 WeakPolarHBondContact O-CG 3.47Å; T197-E201 PolarHBondContact O-N 3.41Å; R198-E201 PolarHBondContact O-N 3.47Å; E201-N203 VanDerWaalsContact C-N 3.3Å; E201-N203 PolarHBondContact O-N 3.31Å; E201-G204 PolarHBondContact O-N 2.79Å; E201-G204 VanDerWaalsContact O-N 3.13Å |
| 202 | S | 87.4 | Confident | 79.2 | Confident | 91 Ų | 91 | 79 Ų | 79 | 64% | 0.636 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66.9 | -28.2 | -179.1 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | R198 Y199 | R198-S202 WeakPolarHBondContact O-CB 3.26Å; R198-S202 PolarHBondContact O-N 3.49Å; R198-S202 PolarHBondContact O-OG 3.43Å; Y199-S202 WeakPolarHBondContact CA-OG 3.18Å; Y199-S202 PolarHBondContact O-OG 3.08Å; Y199-S202 VanDerWaalsContact O-OG 3.06Å |
| 203 | N | 84 | Confident | 78.8 | Confident | 88 Ų | 88 | 79.2 Ų | 79.2 | 47% | 0.471 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 5.2 | 175.7 | -69.1 | -70.7 | 0 | 0 | 0 | 113.3 | Y199 L200 E201 I205 | Y199-N203 WeakPolarHBondContact CE1-ND2 3.38Å; Y199-N203 VanDerWaalsContact CE2-ND2 3.3Å; Y199-N203 WeakPolarHBondContact CE2-ND2 3.37Å; Y199-N203 WeakPolarHBondContact O-CB 3.48Å; Y199-N203 PolarHBondContact O-N 3.35Å; Y199-N203 VanDerWaalsContact O-N 3.17Å; Y199-N203 PolarHBondContact O-ND2 3.36Å; L200-N203 PolarHBondContact O-N 2.96Å; E201-N203 VanDerWaalsContact C-N 3.3Å; E201-N203 PolarHBondContact O-N 3.31Å; N203-I205 HydrophobicContact CB-CD1 3.92Å; N203-I205 HydrophobicContact CB-CG1 3.92Å; N203-I205 PolarHBondContact O-N 3.45Å |
| 204 | G | 79.6 | Confident | 78.6 | Confident | 60 Ų | 60 | 82 Ų | 82 | 62% | 0.619 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 22.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | L200 E201 T206 | L200-G204 PolarHBondContact O-N 3.05Å; E201-G204 PolarHBondContact O-N 2.79Å; E201-G204 VanDerWaalsContact O-N 3.13Å; G204-T206 PolarHBondContact O-N 2.77Å |
| 205 | I | 76.4 | Confident | 78.5 | Confident | 52 Ų | 52 | 78.8 Ų | 78.8 | 27% | 0.267 | 44% | 0.439 | S | S | . | . | trans | -85.5 | 97.9 | 180 | -56.1 | 173.6 | 0 | 0 | 0 | 107.9 | L200 N203 I255 | L200-I205 HydrophobicContact CD2-CB 3.89Å; L200-I205 HydrophobicContact CD2-CD1 4.26Å; L200-I205 HydrophobicContact CD2-CG2 3.77Å; L200-I205 PolarHBondContact O-N 3.32Å; N203-I205 HydrophobicContact CB-CD1 3.92Å; N203-I205 HydrophobicContact CB-CG1 3.92Å; N203-I205 PolarHBondContact O-N 3.45Å; I205-I255 HydrophobicContact CD1-CD1 4.12Å; I205-I255 HydrophobicContact CG2-CD1 3.98Å | ||
| 206 | T | 69.3 | Low | 78.3 | Confident | 125 Ų | 125 | 76.4 Ų | 76.4 | 77% | 0.767 | 43% | 0.429 | S | S | * | . | trans | -83.3 | 122.5 | 175.2 | 52.4 | 0 | 0 | 0 | 0 | 110.6 | G204 | G204-T206 PolarHBondContact O-N 2.77Š| ||
| 207 | T | 64.9 | Low | 78.2 | Confident | 43 Ų | 43 | 78.1 Ų | 78.1 | 26% | 0.264 | 44% | 0.436 | S | S | . | . | trans | -99.5 | 119.8 | 172 | 57.8 | 0 | 0 | 0 | 0 | 109.1 | L200 I209 T252 | L200-T207 HydrophobicContact CD1-CG2 4.33Å; T207-I209 PolarHBondContact O-N 3.11Å; T207-T252 HydrophobicContact CG2-CG2 4.25Å; T207-T252 WeakPolarHBondContact CG2-OG1 3.47Å | ||
| 208 | D | 65.4 | Low | 77.4 | Confident | 129 Ų | 129 | 77.6 Ų | 77.6 | 69% | 0.69 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -62.2 | -17.5 | -179.1 | -64.3 | -24.2 | 0 | 0 | 0 | 113.7 | ||
| 209 | I | 68.8 | Low | 76.2 | Confident | 63 Ų | 63 | 75.4 Ų | 75.4 | 32% | 0.323 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -125.1 | 125.8 | -176.9 | -54.9 | 173.7 | 0 | 0 | 0 | 108.8 | T207 F211 M247 | T207-I209 PolarHBondContact O-N 3.11Å; I209-F211 PolarHBondContact O-N 2.79Å; I209-M247 HydrophobicContact CD1-SD 3.72Å |
| 210 | P | 70.3 | Confident | 75.2 | Confident | 124 Ų | 124 | 72.9 Ų | 72.9 | 81% | 0.805 | 45% | 0.447 | S | S | * | . | trans | -63 | 122.5 | 174.4 | 23.9 | -30.7 | 0 | 0 | 0 | 110.2 | ||||
| 211 | F | 73.5 | Confident | 74.9 | Confident | 75 Ų | 75 | 74 Ų | 74 | 33% | 0.329 | 46% | 0.462 | S | S | . | . | trans | -114.4 | 116.2 | -177.5 | -179.7 | -112.3 | 0 | 0 | 0 | 110 | I209 V213 T252 R253 F256 W271 | I209-F211 PolarHBondContact O-N 2.79Å; F211-V213 HydrophobicContact CD1-CG2 3.64Å; F211-V213 HydrophobicContact CD2-CG2 4.46Å; F211-V213 HydrophobicContact CE1-CB 4.4Å; F211-V213 HydrophobicContact CE1-CG2 2.98Å; F211-V213 HydrophobicContact CE2-CG2 3.88Å; F211-V213 HydrophobicContact CG-CG2 4.37Å; F211-V213 HydrophobicContact CZ-CG2 3.11Å; F211-T252 HydrophobicContact CB-CG2 3.88Å; F211-T252 HydrophobicContact CD1-CG2 3.24Å; F211-T252 HydrophobicContact CE1-CG2 3.86Å; F211-T252 HydrophobicContact CG-CG2 3.8Å; F211-R253 HydrophobicContact CZ-CB 4.46Å; F211-F256 HydrophobicContact CE1-CB 4.3Å; F211-F256 HydrophobicContact CE1-CG 4.49Å; F211-W271 AromaticContact CZ-CH2 3.98Å; F211-W271 HydrophobicContact CZ-CH2 3.98Å; F211-W271 HydrophobicContact CZ-CZ3 4.25Å | ||
| 212 | A | 76.4 | Confident | 74.7 | Confident | 99 Ų | 99 | 67.8 Ų | 67.8 | 82% | 0.818 | 44% | 0.435 | S | S | * | . | trans | -113.8 | 121.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 213 | V | 79.3 | Confident | 74.6 | Confident | 18 Ų | 18 | 64.1 Ų | 64.1 | 11% | 0.109 | 41% | 0.407 | C | S | . | . | trans | -114.6 | 134.6 | 177.9 | -178.1 | 0 | 0 | 0 | 0 | 110 | F211 V215 F256 W271 | F211-V213 HydrophobicContact CD1-CG2 3.64Å; F211-V213 HydrophobicContact CD2-CG2 4.46Å; F211-V213 HydrophobicContact CE1-CB 4.4Å; F211-V213 HydrophobicContact CE1-CG2 2.98Å; F211-V213 HydrophobicContact CE2-CG2 3.88Å; F211-V213 HydrophobicContact CG-CG2 4.37Å; F211-V213 HydrophobicContact CZ-CG2 3.11Å; V213-V215 HydrophobicContact CG1-CG2 4.26Å; V213-F256 HydrophobicContact CB-CD2 4.25Å; V213-F256 HydrophobicContact CB-CE1 4.41Å; V213-F256 HydrophobicContact CB-CE2 3.75Å; V213-F256 HydrophobicContact CB-CZ 3.84Å; V213-F256 HydrophobicContact CG1-CD1 4.44Å; V213-F256 HydrophobicContact CG1-CE1 3.77Å; V213-F256 HydrophobicContact CG1-CE2 3.98Å; V213-F256 HydrophobicContact CG1-CZ 3.51Å; V213-F256 HydrophobicContact CG2-CD2 4.18Å; V213-F256 HydrophobicContact CG2-CE2 4.18Å; V213-F256 HydrophobicContact CG2-CG 4.46Å; V213-F256 HydrophobicContact CG2-CZ 4.45Å; V213-W271 HydrophobicContact CG1-CH2 4.05Å; V213-W271 HydrophobicContact CG1-CZ3 3.96Å; V213-W271 HydrophobicContact CG2-CH2 4.03Å; V213-W271 HydrophobicContact CG2-CZ3 4.1Å | ||
| 214 | Q | 81 | Confident | 74.3 | Confident | 82 Ų | 82 | 62.8 Ų | 62.8 | 38% | 0.383 | 40% | 0.403 | S | S | . | . | trans | -104.8 | 120 | 165.7 | -69.8 | -176.1 | -4.2 | 0 | 0 | 110 | S189 | S189-Q214 VanDerWaalsContact OG-CA 3.24Å; S189-Q214 WeakPolarHBondContact OG-CA 3.01Å | ||
| 215 | V | 83.5 | Confident | 74 | Confident | 23 Ų | 23 | 61.1 Ų | 61.1 | 14% | 0.139 | 38% | 0.38 | C | S | . | . | trans | -96.4 | 115.5 | 172.9 | -172.1 | 0 | 0 | 0 | 0 | 108.6 | S189 F192 V213 F256 Y260 L269 | S189-V215 WeakPolarHBondContact CB-O 3.33Å; S189-V215 PolarHBondContact OG-N 2.76Å; F192-V215 HydrophobicContact CD1-CG2 4.43Å; V213-V215 HydrophobicContact CG1-CG2 4.26Å; V215-F256 HydrophobicContact CG2-CE1 3.87Å; V215-F256 HydrophobicContact CG2-CZ 3.4Å; V215-F256 VanDerWaalsContact CG2-CZ 3.4Å; V215-Y260 HydrophobicContact CB-CE2 4.49Å; V215-Y260 HydrophobicContact CG1-CE2 3.69Å; V215-Y260 HydrophobicContact CG2-CD2 4.44Å; V215-Y260 HydrophobicContact CG2-CE2 4.29Å; V215-L269 HydrophobicContact CG1-CD2 4.28Å | ||
| 216 | L | 83 | Confident | 73.3 | Confident | 28 Ų | 28 | 63.2 Ų | 63.2 | 15% | 0.147 | 40% | 0.399 | C | S | . | . | trans | -115.8 | 138.2 | 179.6 | -51.1 | 174.9 | 0 | 0 | 0 | 109.2 | I150 V186 A218 W223 L225 | I150-L216 HydrophobicContact CD1-CD1 4.29Å; I150-L216 HydrophobicContact CG1-CD1 3.89Å; V186-L216 HydrophobicContact CG2-CD2 4.13Å; L216-A218 VanDerWaalsContact C-N 3.35Å; L216-A218 PolarHBondContact O-N 3.31Å; L216-W223 HydrophobicContact CB-CD2 4.4Å; L216-W223 HydrophobicContact CB-CZ2 4.29Å; L216-W223 HydrophobicContact CD1-CD2 4.26Å; L216-W223 HydrophobicContact CD1-CE3 4.11Å; L216-W223 HydrophobicContact CD1-CH2 4.02Å; L216-W223 HydrophobicContact CD1-CZ2 4.16Å; L216-W223 HydrophobicContact CD1-CZ3 3.99Å; L216-W223 HydrophobicContact CD2-CH2 3.74Å; L216-W223 HydrophobicContact CD2-CZ2 3.44Å; L216-W223 VanDerWaalsContact CD2-CZ2 3.44Å; L216-W223 HydrophobicContact CG-CH2 4.41Å; L216-W223 HydrophobicContact CG-CZ2 4.14Å; L216-L225 HydrophobicContact CD1-CD1 4.13Å | ||
| 217 | Q | 80.1 | Confident | 72.6 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 21% | 0.206 | 39% | 0.393 | C | S | . | . | trans | -84.4 | 80.9 | 178.7 | -66.8 | -168.4 | -21.4 | 0 | 0 | 110.8 | D185 S219 S220 R267 | D185-Q217 WeakPolarHBondContact OD2-CB 3.29Å; D185-Q217 PolarHBondContact OD2-N 2.98Å; Q217-S219 VanDerWaalsContact C-N 3.25Å; Q217-S219 PolarHBondContact O-N 3.5Å; Q217-S220 PolarHBondContact O-N 2.93Å; Q217-S220 PolarHBondContact O-OG 2.74Å; Q217-R267 VanDerWaalsContact NE2-NH1 3.16Å | ||
| 218 | A | 66.3 | Low | 72 | Confident | 52 Ų | 52 | 62.2 Ų | 62.2 | 43% | 0.43 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -60.6 | -32.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L216 S220 G221 | L216-A218 VanDerWaalsContact C-N 3.35Å; L216-A218 PolarHBondContact O-N 3.31Å; A218-S220 PolarHBondContact O-N 2.9Å; A218-S220 VanDerWaalsContact O-N 3.15Å; A218-G221 PolarHBondContact O-N 3Å |
| 219 | S | 60.4 | Low | 71.3 | Confident | 124 Ų | 124 | 64.7 Ų | 64.7 | 87% | 0.867 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -67.1 | -13.9 | -179 | 54.3 | 0 | 0 | 0 | 0 | 114.6 | Q217 G221 | Q217-S219 VanDerWaalsContact C-N 3.25Å; Q217-S219 PolarHBondContact O-N 3.5Å; S219-G221 PolarHBondContact O-N 3.07Å |
| 220 | S | 62.4 | Low | 70.1 | Confident | 55 Ų | 55 | 64.8 Ų | 64.8 | 39% | 0.385 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -74.5 | -12.2 | 177.7 | 67.6 | 0 | 0 | 0 | 0 | 113.6 | Q217 A218 A222 | Q217-S220 PolarHBondContact O-N 2.93Å; Q217-S220 PolarHBondContact O-OG 2.74Å; A218-S220 PolarHBondContact O-N 2.9Å; A218-S220 VanDerWaalsContact O-N 3.15Å; S220-A222 PolarHBondContact O-N 2.86Å; S220-A222 VanDerWaalsContact O-N 3.15Å; S220-A222 WeakPolarHBondContact OG-CB 3.32Å; S220-A222 PolarHBondContact OG-N 3.2Å |
| 221 | G | 75.8 | Confident | 68.8 | Low | 38 Ų | 38 | 61 Ų | 61 | 39% | 0.392 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 64.8 | 11.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | K178 A218 S219 | K178-G221 WeakPolarHBondContact CE-O 3.36Å; K178-G221 PolarHBondContact NZ-O 2.82Å; A218-G221 PolarHBondContact O-N 3Å; S219-G221 PolarHBondContact O-N 3.07Å |
| 222 | A | 80.3 | Confident | 67.4 | Low | 10 Ų | 10 | 59.1 Ų | 59.1 | 8% | 0.083 | 38% | 0.384 | C | S | . | . | trans | -76.6 | -37.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | K178 R181 M182 S220 | K178-A222 HydrophobicContact CB-CB 4.15Å; K178-A222 HydrophobicContact CG-CB 4.39Å; R181-A222 HydrophobicContact CB-CB 4.07Å; R181-A222 HydrophobicContact CG-CB 4.13Å; M182-A222 HydrophobicContact CG-CB 4.31Å; S220-A222 PolarHBondContact O-N 2.86Å; S220-A222 VanDerWaalsContact O-N 3.15Å; S220-A222 WeakPolarHBondContact OG-CB 3.32Å; S220-A222 PolarHBondContact OG-N 3.2Å | ||
| 223 | W | 85.5 | Confident | 66.1 | Low | 14 Ų | 14 | 61.5 Ų | 61.5 | 5% | 0.053 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -86.3 | 129.4 | -177.9 | -68.6 | 90.1 | 0 | 0 | 0 | 111.2 | A146 L149 I150 M182 D185 V186 L216 L225 | A146-W223 HydrophobicContact CB-CE3 4Å; A146-W223 HydrophobicContact CB-CZ3 4.1Å; L149-W223 HydrophobicContact CB-CH2 4.13Å; L149-W223 HydrophobicContact CB-CZ3 4.39Å; L149-W223 HydrophobicContact CD1-CH2 4.01Å; I150-W223 HydrophobicContact CD1-CE3 4.22Å; I150-W223 HydrophobicContact CD1-CZ3 3.97Å; I150-W223 HydrophobicContact CG1-CZ3 3.88Å; M182-W223 HydrophobicContact CB-CD2 4.48Å; M182-W223 HydrophobicContact CB-CH2 4.01Å; M182-W223 HydrophobicContact CB-CZ2 3.73Å; M182-W223 HydrophobicContact CB-CZ3 4.5Å; M182-W223 HydrophobicContact CE-CD2 4.46Å; M182-W223 HydrophobicContact CE-CE3 3.92Å; M182-W223 HydrophobicContact CE-CH2 4.42Å; M182-W223 HydrophobicContact CE-CZ3 3.9Å; M182-W223 HydrophobicContact CG-CD2 3.88Å; M182-W223 HydrophobicContact CG-CE3 4.25Å; M182-W223 HydrophobicContact CG-CG 4.28Å; M182-W223 HydrophobicContact CG-CH2 4.4Å; M182-W223 HydrophobicContact CG-CZ2 4.05Å; M182-W223 HydrophobicContact CG-CZ3 4.5Å; M182-W223 WeakPolarHBondContact O-CZ2 3Å; D185-W223 HydrophobicContact CB-CZ2 4.08Å; D185-W223 PolarHBondContact OD2-NE1 2.92Å; V186-W223 HydrophobicContact CG2-CH2 3.76Å; V186-W223 HydrophobicContact CG2-CZ2 4.05Å; L216-W223 HydrophobicContact CB-CD2 4.4Å; L216-W223 HydrophobicContact CB-CZ2 4.29Å; L216-W223 HydrophobicContact CD1-CD2 4.26Å; L216-W223 HydrophobicContact CD1-CE3 4.11Å; L216-W223 HydrophobicContact CD1-CH2 4.02Å; L216-W223 HydrophobicContact CD1-CZ2 4.16Å; L216-W223 HydrophobicContact CD1-CZ3 3.99Å; L216-W223 HydrophobicContact CD2-CH2 3.74Å; L216-W223 HydrophobicContact CD2-CZ2 3.44Å; L216-W223 VanDerWaalsContact CD2-CZ2 3.44Å; L216-W223 HydrophobicContact CG-CH2 4.41Å; L216-W223 HydrophobicContact CG-CZ2 4.14Å; W223-L225 HydrophobicContact CB-CB 4.38Å; W223-L225 HydrophobicContact CB-CD1 3.93Å; W223-L225 HydrophobicContact CB-CG 3.95Å; W223-L225 HydrophobicContact CD2-CD1 4.35Å; W223-L225 HydrophobicContact CE3-CD1 4.09Å; W223-L225 HydrophobicContact CG-CD1 4.31Å; W223-L225 PolarHBondContact O-N 2.68Å |
| 224 | P | 78.8 | Confident | 64.9 | Low | 60 Ų | 60 | 61.8 Ų | 61.8 | 39% | 0.39 | 38% | 0.384 | S | S | . | . | trans | -79.5 | 50.2 | 173.5 | 35.6 | -35.7 | 0 | 0 | 0 | 110.6 | I143 A146 | I143-P224 HydrophobicContact CG1-CB 4.08Å; I143-P224 HydrophobicContact CG1-CG 4.21Å; A146-P224 HydrophobicContact CB-CG 3.64Å | ||
| 225 | L | 72.4 | Confident | 63.6 | Low | 26 Ų | 26 | 58 Ų | 58 | 14% | 0.136 | 37% | 0.366 | C | S | . | . | trans | -104.4 | 106.7 | -179.1 | -63.8 | 175.8 | 0 | 0 | 0 | 108.1 | I150 L216 W223 P227 M272 L275 | I150-L225 HydrophobicContact CD1-CD1 4.09Å; I150-L225 HydrophobicContact CD1-CD2 3.78Å; I150-L225 HydrophobicContact CD1-CG 4.45Å; L216-L225 HydrophobicContact CD1-CD1 4.13Å; W223-L225 HydrophobicContact CB-CB 4.38Å; W223-L225 HydrophobicContact CB-CD1 3.93Å; W223-L225 HydrophobicContact CB-CG 3.95Å; W223-L225 HydrophobicContact CD2-CD1 4.35Å; W223-L225 HydrophobicContact CE3-CD1 4.09Å; W223-L225 HydrophobicContact CG-CD1 4.31Å; W223-L225 PolarHBondContact O-N 2.68Å; L225-P227 WeakPolarHBondContact O-CD 3.32Å; L225-M272 HydrophobicContact CB-CE 4.49Å; L225-M272 HydrophobicContact CB-SD 4.11Å; L225-M272 HydrophobicContact CD1-CE 3.62Å; L225-M272 HydrophobicContact CD1-SD 4Å; L225-L275 HydrophobicContact CD1-CD1 4.33Å; L225-L275 HydrophobicContact CD2-CD1 3.92Å | ||
| 226 | S | 63 | Low | 62.2 | Low | 95 Ų | 95 | 61.8 Ų | 61.8 | 66% | 0.664 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -78.6 | 121 | 167.8 | -62.8 | 0 | 0 | 0 | 0 | 108.1 | ||
| 227 | P | 54.5 | Low | 60.5 | Low | 98 Ų | 98 | 60.7 Ų | 60.7 | 64% | 0.636 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 136.6 | 167.6 | 24.7 | -30.3 | 0 | 0 | 0 | 108.1 | L225 I229 | L225-P227 WeakPolarHBondContact O-CD 3.32Å; P227-I229 PolarHBondContact O-N 3.48Å |
| 228 | P | 52 | Low | 59.1 | Low | 49 Ų | 49 | 60.1 Ų | 60.1 | 32% | 0.318 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 134.1 | 173.3 | -13.5 | 23.3 | 0 | 0 | 0 | 108.9 | S230 C231 H274 | P228-S230 PolarHBondContact O-N 2.89Å; P228-S230 VanDerWaalsContact O-N 3.08Å; P228-C231 HydrophobicContact CB-CB 4.13Å; P228-C231 HydrophobicContact CG-CB 4.02Å; P228-C231 PolarHBondContact O-N 3.43Å; P228-H274 WeakPolarHBondContact CG-ND1 3.49Å |
| 229 | I | 49.5 | Very low | 58.3 | Low | 181 Ų | 181 | 60.6 Ų | 60.6 | 93% | 0.928 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -28.8 | -179.5 | -62.6 | 165 | 0 | 0 | 0 | 110.8 | P227 | P227-I229 PolarHBondContact O-N 3.48Š|
| 230 | S | 43.6 | Very low | 57.4 | Low | 66 Ų | 66 | 58 Ų | 58 | 46% | 0.462 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139 | 79.2 | 176.8 | 37.8 | 0 | 0 | 0 | 0 | 107.9 | P228 P232 | P228-S230 PolarHBondContact O-N 2.89Å; P228-S230 VanDerWaalsContact O-N 3.08Å; S230-P232 WeakPolarHBondContact O-CD 3.04Å |
| 231 | C | 42.9 | Very low | 56 | Low | 44 Ų | 44 | 59 Ų | 59 | 30% | 0.297 | 36% | 0.358 | S | S | . | . | trans | -85.9 | 107.8 | 160.5 | -161.1 | 0 | 0 | 0 | 0 | 106.1 | P228 D233 | P228-C231 HydrophobicContact CB-CB 4.13Å; P228-C231 HydrophobicContact CG-CB 4.02Å; P228-C231 PolarHBondContact O-N 3.43Å; C231-D233 PolarHBondContact O-N 3.46Å | ||
| 232 | P | 45.4 | Very low | 54.1 | Low | 35 Ų | 35 | 61.8 Ų | 61.8 | 23% | 0.227 | 38% | 0.378 | C | S | . | . | trans | -55.7 | 144.9 | 168.5 | 22.7 | -29.4 | 0 | 0 | 0 | 107.9 | S230 L321 | S230-P232 WeakPolarHBondContact O-CD 3.04Å; P232-L321 HydrophobicContact CG-CD2 4.46Å | ||
| 233 | D | 49.3 | Very low | 52 | Low | 150 Ų | 150 | 63 Ų | 63 | 80% | 0.802 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -43.4 | 144.5 | 160.5 | -77.2 | -46.9 | 0 | 0 | 0 | 108.6 | C231 | C231-D233 PolarHBondContact O-N 3.46Š|
| 234 | I | 54.2 | Low | 49.7 | Very low | 24 Ų | 24 | 64.8 Ų | 64.8 | 12% | 0.123 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -12.1 | 116.1 | 179.3 | -58.2 | 157.9 | 0 | 0 | 0 | 111.1 | Q236 L238 L239 Y273 | I234-Q236 PolarHBondContact O-N 2.92Å; I234-L238 HydrophobicContact CG2-CB 3.49Å; I234-L238 VanDerWaalsContact CG2-CB 3.49Å; I234-L238 HydrophobicContact CG2-CD1 4.26Å; I234-L238 HydrophobicContact CG2-CG 4.49Å; I234-L239 HydrophobicContact CB-CD1 3.64Å; I234-L239 HydrophobicContact CB-CG 4.02Å; I234-L239 HydrophobicContact CD1-CD1 3.96Å; I234-L239 HydrophobicContact CD1-CD2 4.25Å; I234-L239 HydrophobicContact CD1-CG 3.94Å; I234-L239 HydrophobicContact CG1-CD1 4.38Å; I234-L239 HydrophobicContact CG2-CB 4.49Å; I234-L239 HydrophobicContact CG2-CD1 3.99Å; I234-L239 HydrophobicContact CG2-CG 3.86Å; I234-Y273 HydrophobicContact CG1-CE1 4.37Å; I234-Y273 HydrophobicContact CG1-CE2 4.26Å; I234-Y273 WeakPolarHBondContact CG1-OH 3.41Å |
| 235 | P | 53 | Low | 47.5 | Very low | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.006 | 42% | 0.415 | C | S | . | . | trans | -40.9 | 120.9 | 176.8 | -29.5 | 31.2 | 0 | 0 | 0 | 109 | C237 L238 Y296 L321 | P235-C237 PolarHBondContact O-N 3.5Å; P235-L238 HydrophobicContact CB-CD1 4.49Å; P235-L238 HydrophobicContact CG-CD1 4.28Å; P235-L238 WeakPolarHBondContact O-CB 3.39Å; P235-L238 PolarHBondContact O-N 3.43Å; P235-Y296 HydrophobicContact CG-CD1 4.2Å; P235-Y296 HydrophobicContact CG-CE1 4.22Å; P235-L321 HydrophobicContact CG-CD2 4.23Å | ||
| 236 | Q | 53.3 | Low | 45.9 | Very low | 103 Ų | 103 | 76.9 Ų | 76.9 | 48% | 0.481 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -56 | -25.4 | -164.7 | -81.8 | -121.6 | -26.1 | 0 | 0 | 112.4 | I234 L238 L239 N240 | I234-Q236 PolarHBondContact O-N 2.92Å; Q236-L238 PolarHBondContact O-N 3.06Å; Q236-L239 CarbonylContact O-C 3.56Å; Q236-L239 WeakPolarHBondContact O-CA 3.43Å; Q236-L239 WeakPolarHBondContact O-CB 3.49Å; Q236-L239 PolarHBondContact O-N 3.49Å; Q236-N240 PolarHBondContact O-N 2.76Å; Q236-N240 PolarHBondContact O-OD1 3.08Å |
| 237 | C | 47.9 | Very low | 45 | Very low | 6 Ų | 6 | 73.9 Ų | 73.9 | 4% | 0.041 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -57.6 | -29.2 | 171.3 | 71.8 | 0 | 0 | 0 | 0 | 114.6 | P235 S299 Q302 | P235-C237 PolarHBondContact O-N 3.5Å; C237-S299 WeakPolarHBondContact SG-CB 3.41Å; C237-Q302 PolarHBondContact O-NE2 2.96Å; C237-Q302 PolarHBondContact O-OE1 3.19Å |
| 238 | L | 51.3 | Low | 44.6 | Very low | 32 Ų | 32 | 69.8 Ų | 69.8 | 17% | 0.168 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -81.2 | -20.6 | 173.3 | -66.3 | 176.9 | 0 | 0 | 0 | 112.4 | I234 P235 Q236 T250 Y298 | I234-L238 HydrophobicContact CG2-CB 3.49Å; I234-L238 VanDerWaalsContact CG2-CB 3.49Å; I234-L238 HydrophobicContact CG2-CD1 4.26Å; I234-L238 HydrophobicContact CG2-CG 4.49Å; P235-L238 HydrophobicContact CB-CD1 4.49Å; P235-L238 HydrophobicContact CG-CD1 4.28Å; P235-L238 WeakPolarHBondContact O-CB 3.39Å; P235-L238 PolarHBondContact O-N 3.43Å; Q236-L238 PolarHBondContact O-N 3.06Å; L238-T250 PolarHBondContact O-OG1 3.32Å; L238-Y298 HydrophobicContact CD2-CD1 3.94Å; L238-Y298 HydrophobicContact CD2-CE1 3.82Å |
| 239 | L | 49.6 | Very low | 44.5 | Very low | 62 Ų | 62 | 68.6 Ų | 68.6 | 33% | 0.325 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -90.4 | -24 | 175.9 | -96.6 | 156.9 | 0 | 0 | 0 | 113 | I234 Q236 A241 T244 | I234-L239 HydrophobicContact CB-CD1 3.64Å; I234-L239 HydrophobicContact CB-CG 4.02Å; I234-L239 HydrophobicContact CD1-CD1 3.96Å; I234-L239 HydrophobicContact CD1-CD2 4.25Å; I234-L239 HydrophobicContact CD1-CG 3.94Å; I234-L239 HydrophobicContact CG1-CD1 4.38Å; I234-L239 HydrophobicContact CG2-CB 4.49Å; I234-L239 HydrophobicContact CG2-CD1 3.99Å; I234-L239 HydrophobicContact CG2-CG 3.86Å; Q236-L239 CarbonylContact O-C 3.56Å; Q236-L239 WeakPolarHBondContact O-CA 3.43Å; Q236-L239 WeakPolarHBondContact O-CB 3.49Å; Q236-L239 PolarHBondContact O-N 3.49Å; L239-A241 PolarHBondContact O-N 3.37Å; L239-T244 PolarHBondContact O-OG1 3.44Å |
| 240 | N | 40.8 | Very low | 44.8 | Very low | 70 Ų | 70 | 61 Ų | 61 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | trans | -64.1 | 122.4 | -169 | -80.8 | -15 | 0 | 0 | 0 | 112.6 | Q236 A242 T243 T244 | Q236-N240 PolarHBondContact O-N 2.76Å; Q236-N240 PolarHBondContact O-OD1 3.08Å; N240-A242 PolarHBondContact O-N 3.3Å; N240-T243 PolarHBondContact O-N 3.47Å; N240-T243 PolarHBondContact O-OG1 3.41Å; N240-T244 PolarHBondContact O-N 2.91Å; N240-T244 VanDerWaalsContact O-N 3.12Å; N240-T244 PolarHBondContact O-OG1 3.17Å | ||
| 241 | A | 34 | Very low | 45.6 | Very low | 74 Ų | 74 | 62.6 Ų | 62.6 | 61% | 0.612 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -49.7 | -34.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L239 T243 T244 V245 | L239-A241 PolarHBondContact O-N 3.37Å; A241-T243 VanDerWaalsContact C-N 3.33Å; A241-T243 PolarHBondContact O-N 3.19Å; A241-T244 WeakPolarHBondContact CA-OG1 3.39Å; A241-T244 PolarHBondContact N-OG1 3.21Å; A241-T244 WeakPolarHBondContact O-CB 3.48Å; A241-T244 PolarHBondContact O-N 3.09Å; A241-T244 VanDerWaalsContact O-N 3.07Å; A241-V245 PolarHBondContact O-N 3.03Å |
| 242 | A | 35.6 | Very low | 46.7 | Very low | 97 Ų | 97 | 60.6 Ų | 60.6 | 80% | 0.802 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -67.2 | -30.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N240 | N240-A242 PolarHBondContact O-N 3.3Å |
| 243 | T | 36.6 | Very low | 48.1 | Very low | 37 Ų | 37 | 60.9 Ų | 60.9 | 23% | 0.227 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -87.4 | -21.1 | 170.6 | -12.4 | 0 | 0 | 0 | 0 | 111.5 | N240 A241 V245 R246 M247 Q302 | N240-T243 PolarHBondContact O-N 3.47Å; N240-T243 PolarHBondContact O-OG1 3.41Å; A241-T243 VanDerWaalsContact C-N 3.33Å; A241-T243 PolarHBondContact O-N 3.19Å; T243-V245 VanDerWaalsContact C-N 3.26Å; T243-V245 PolarHBondContact O-N 3.44Å; T243-R246 PolarHBondContact O-N 3.38Å; T243-M247 HydrophobicContact CG2-CG 4.11Å; T243-M247 VanDerWaalsContact O-CB 3.31Å; T243-M247 WeakPolarHBondContact O-CB 3.37Å; T243-M247 WeakPolarHBondContact O-CG 3.42Å; T243-M247 PolarHBondContact O-N 3.39Å; T243-M247 VanDerWaalsContact O-N 3.13Å; T243-Q302 VanDerWaalsContact CG2-NE2 3.28Å; T243-Q302 PolarHBondContact OG1-NE2 3.41Å |
| 244 | T | 36 | Very low | 49.3 | Very low | 50 Ų | 50 | 59.9 Ų | 59.9 | 31% | 0.307 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.5 | -25.3 | -178.1 | -41.2 | 0 | 0 | 0 | 0 | 112.6 | L239 N240 A241 R246 M247 T250 | L239-T244 PolarHBondContact O-OG1 3.44Å; N240-T244 PolarHBondContact O-N 2.91Å; N240-T244 VanDerWaalsContact O-N 3.12Å; N240-T244 PolarHBondContact O-OG1 3.17Å; A241-T244 WeakPolarHBondContact CA-OG1 3.39Å; A241-T244 PolarHBondContact N-OG1 3.21Å; A241-T244 WeakPolarHBondContact O-CB 3.48Å; A241-T244 PolarHBondContact O-N 3.09Å; A241-T244 VanDerWaalsContact O-N 3.07Å; T244-R246 PolarHBondContact O-N 3.19Å; T244-M247 PolarHBondContact O-N 3.31Å; T244-T250 HydrophobicContact CG2-CG2 4.39Å |
| 245 | V | 33 | Very low | 50.3 | Low | 129 Ų | 129 | 60 Ų | 60 | 78% | 0.782 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -16.2 | 177.5 | -175.1 | 0 | 0 | 0 | 0 | 113.2 | A241 T243 | A241-V245 PolarHBondContact O-N 3.03Å; T243-V245 VanDerWaalsContact C-N 3.26Å; T243-V245 PolarHBondContact O-N 3.44Å |
| 246 | R | 38.5 | Very low | 51.6 | Low | 212 Ų | 212 | 60.2 Ų | 60.2 | 80% | 0.8 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.3 | -2.3 | 172.9 | -71.4 | -167.6 | 174.5 | -159.6 | -0.5 | 114.6 | T243 T244 G248 | T243-R246 PolarHBondContact O-N 3.38Å; T244-R246 PolarHBondContact O-N 3.19Å; R246-G248 PolarHBondContact O-N 3.45Å |
| 247 | M | 43.1 | Very low | 53.1 | Low | 32 Ų | 32 | 56.5 Ų | 56.5 | 16% | 0.158 | 31% | 0.312 | C | S | . | . | trans | -99.1 | 89.8 | -176.5 | -68.5 | -73.7 | -85.6 | 0 | 0 | 109.5 | I209 T243 T244 G249 T250 Y298 | I209-M247 HydrophobicContact CD1-SD 3.72Å; T243-M247 HydrophobicContact CG2-CG 4.11Å; T243-M247 VanDerWaalsContact O-CB 3.31Å; T243-M247 WeakPolarHBondContact O-CB 3.37Å; T243-M247 WeakPolarHBondContact O-CG 3.42Å; T243-M247 PolarHBondContact O-N 3.39Å; T243-M247 VanDerWaalsContact O-N 3.13Å; T244-M247 PolarHBondContact O-N 3.31Å; M247-G249 PolarHBondContact O-N 2.89Å; M247-T250 PolarHBondContact O-N 2.98Å; M247-Y298 HydrophobicContact CE-CE1 4.07Å | ||
| 248 | G | 46.1 | Very low | 54.7 | Low | 12 Ų | 12 | 59.7 Ų | 59.7 | 12% | 0.124 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -50.1 | -22.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113 | R246 T250 L251 T252 | R246-G248 PolarHBondContact O-N 3.45Å; G248-T250 PolarHBondContact O-N 3.42Å; G248-L251 PolarHBondContact O-N 2.92Å; G248-T252 VanDerWaalsContact O-CB 3.3Å; G248-T252 WeakPolarHBondContact O-CB 3.33Å; G248-T252 PolarHBondContact O-N 2.7Å; G248-T252 PolarHBondContact O-OG1 3.01Å |
| 249 | G | 51 | Low | 56.3 | Low | 23 Ų | 23 | 58.9 Ų | 58.9 | 24% | 0.237 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.8 | -38.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | M247 T252 R253 | M247-G249 PolarHBondContact O-N 2.89Å; G249-T252 PolarHBondContact O-N 2.94Å; G249-R253 WeakPolarHBondContact O-CB 3.46Å; G249-R253 PolarHBondContact O-N 3.48Å |
| 250 | T | 55.7 | Low | 58.1 | Low | 23 Ų | 23 | 56.5 Ų | 56.5 | 14% | 0.141 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -74.5 | -42.8 | -179.4 | -48.7 | 0 | 0 | 0 | 0 | 110.8 | L238 T244 M247 G248 T252 R253 Y254 | L238-T250 PolarHBondContact O-OG1 3.32Å; T244-T250 HydrophobicContact CG2-CG2 4.39Å; M247-T250 PolarHBondContact O-N 2.98Å; G248-T250 PolarHBondContact O-N 3.42Å; T250-T252 VanDerWaalsContact C-N 3.33Å; T250-T252 PolarHBondContact O-N 3.29Å; T250-R253 PolarHBondContact O-N 2.85Å; T250-Y254 HydrophobicContact CG2-CD2 4Å; T250-Y254 HydrophobicContact CG2-CE2 3.59Å; T250-Y254 WeakPolarHBondContact O-CD2 3.47Å; T250-Y254 PolarHBondContact O-N 2.82Å |
| 251 | L | 60.4 | Low | 60.3 | Low | 98 Ų | 98 | 61.1 Ų | 61.1 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 171.2 | -178.3 | 65.2 | 0 | 0 | 0 | 110.7 | G248 R253 Y254 I255 | G248-L251 PolarHBondContact O-N 2.92Å; L251-R253 VanDerWaalsContact C-N 3.31Å; L251-R253 PolarHBondContact O-N 2.64Å; L251-Y254 PolarHBondContact O-N 3.42Å; L251-I255 HydrophobicContact CD1-CD1 4.14Å; L251-I255 HydrophobicContact CD1-CG1 4.41Å; L251-I255 HydrophobicContact CD2-CD1 4.37Å; L251-I255 HydrophobicContact CG-CD1 3.76Å; L251-I255 HydrophobicContact CG-CG1 4.43Å; L251-I255 WeakPolarHBondContact O-CB 3.34Å; L251-I255 VanDerWaalsContact O-CG1 3.25Å; L251-I255 WeakPolarHBondContact O-CG1 3.36Å; L251-I255 PolarHBondContact O-N 2.81Å |
| 252 | T | 66.5 | Low | 62.8 | Low | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 179.8 | -47.3 | 0 | 0 | 0 | 0 | 111.5 | L200 T207 F211 G248 G249 T250 I255 F256 | L200-T252 HydrophobicContact CD1-CG2 4.26Å; T207-T252 HydrophobicContact CG2-CG2 4.25Å; T207-T252 WeakPolarHBondContact CG2-OG1 3.47Å; F211-T252 HydrophobicContact CB-CG2 3.88Å; F211-T252 HydrophobicContact CD1-CG2 3.24Å; F211-T252 HydrophobicContact CE1-CG2 3.86Å; F211-T252 HydrophobicContact CG-CG2 3.8Å; G248-T252 VanDerWaalsContact O-CB 3.3Å; G248-T252 WeakPolarHBondContact O-CB 3.33Å; G248-T252 PolarHBondContact O-N 2.7Å; G248-T252 PolarHBondContact O-OG1 3.01Å; G249-T252 PolarHBondContact O-N 2.94Å; T250-T252 VanDerWaalsContact C-N 3.33Å; T250-T252 PolarHBondContact O-N 3.29Å; T252-I255 PolarHBondContact O-N 3.38Å; T252-F256 WeakPolarHBondContact O-CB 3.22Å; T252-F256 PolarHBondContact O-N 3.03Å |
| 253 | R | 73.4 | Confident | 65.1 | Low | 42 Ų | 42 | 62.9 Ų | 62.9 | 16% | 0.158 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 172.7 | -179.1 | -138.5 | 169.5 | 115.6 | -6.6 | 111.5 | F211 G249 T250 L251 I255 F256 E257 W271 Y273 | F211-R253 HydrophobicContact CZ-CB 4.46Å; G249-R253 WeakPolarHBondContact O-CB 3.46Å; G249-R253 PolarHBondContact O-N 3.48Å; T250-R253 PolarHBondContact O-N 2.85Å; L251-R253 VanDerWaalsContact C-N 3.31Å; L251-R253 PolarHBondContact O-N 2.64Å; R253-I255 VanDerWaalsContact C-N 3.35Å; R253-I255 PolarHBondContact O-N 3.46Å; R253-F256 WeakPolarHBondContact O-CB 3.27Å; R253-F256 PolarHBondContact O-N 3.36Å; R253-E257 IonicContact CZ-OE1 3.36Å; R253-E257 VanDerWaalsContact CZ-OE1 3.22Å; R253-E257 IonicContact NE-OE1 2.58Å; R253-E257 PolarHBondContact NE-OE1 3.09Å; R253-E257 IonicContact NH2-OE1 2.67Å; R253-E257 PolarHBondContact NH2-OE1 3.33Å; R253-E257 WeakPolarHBondContact O-CG 3.21Å; R253-E257 PolarHBondContact O-N 3.2Å; R253-W271 HydrophobicContact CG-CH2 4.07Å; R253-W271 HydrophobicContact CG-CZ2 3.54Å; R253-W271 VanDerWaalsContact NH2-CD1 3.25Å; R253-Y273 PolarHBondContact NH1-OH 3.29Å |
| 254 | Y | 74.5 | Confident | 67.4 | Low | 129 Ų | 129 | 63.5 Ų | 63.5 | 51% | 0.506 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 178.3 | -76 | -62.8 | 0 | 0 | 0 | 112.1 | T250 L251 F256 E257 S258 | T250-Y254 HydrophobicContact CG2-CD2 4Å; T250-Y254 HydrophobicContact CG2-CE2 3.59Å; T250-Y254 WeakPolarHBondContact O-CD2 3.47Å; T250-Y254 PolarHBondContact O-N 2.82Å; L251-Y254 PolarHBondContact O-N 3.42Å; Y254-F256 VanDerWaalsContact C-N 3.35Å; Y254-E257 PolarHBondContact O-N 3.4Å; Y254-S258 VanDerWaalsContact O-CB 3.31Å; Y254-S258 WeakPolarHBondContact O-CB 3.3Å; Y254-S258 PolarHBondContact O-N 2.92Å |
| 255 | I | 75.5 | Confident | 69.6 | Low | 27 Ų | 27 | 66.4 Ų | 66.4 | 14% | 0.138 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 174 | -67.5 | 167.6 | 0 | 0 | 0 | 110 | Y199 L200 I205 L251 T252 R253 E257 S258 I259 | Y199-I255 HydrophobicContact CD1-CG2 4.48Å; Y199-I255 HydrophobicContact CE1-CG2 4.45Å; L200-I255 HydrophobicContact CD2-CD1 3.86Å; L200-I255 HydrophobicContact CD2-CG2 3.9Å; I205-I255 HydrophobicContact CD1-CD1 4.12Å; I205-I255 HydrophobicContact CG2-CD1 3.98Å; L251-I255 HydrophobicContact CD1-CD1 4.14Å; L251-I255 HydrophobicContact CD1-CG1 4.41Å; L251-I255 HydrophobicContact CD2-CD1 4.37Å; L251-I255 HydrophobicContact CG-CD1 3.76Å; L251-I255 HydrophobicContact CG-CG1 4.43Å; L251-I255 WeakPolarHBondContact O-CB 3.34Å; L251-I255 VanDerWaalsContact O-CG1 3.25Å; L251-I255 WeakPolarHBondContact O-CG1 3.36Å; L251-I255 PolarHBondContact O-N 2.81Å; T252-I255 PolarHBondContact O-N 3.38Å; R253-I255 VanDerWaalsContact C-N 3.35Å; R253-I255 PolarHBondContact O-N 3.46Å; I255-E257 PolarHBondContact O-N 3.1Å; I255-S258 WeakPolarHBondContact O-CB 3.25Å; I255-S258 PolarHBondContact O-N 3.13Å; I255-I259 HydrophobicContact CG2-CD1 3.61Å; I255-I259 HydrophobicContact CG2-CG1 4.29Å; I255-I259 VanDerWaalsContact O-CG1 3.3Å; I255-I259 WeakPolarHBondContact O-CG1 3.39Å; I255-I259 PolarHBondContact O-N 3.4Å |
| 256 | F | 81.8 | Confident | 72 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 2% | 0.022 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.9 | -49.2 | 178 | -176 | -85.9 | 0 | 0 | 0 | 111.9 | F192 V196 F211 V213 V215 T252 R253 Y254 S258 I259 Y260 W271 | F192-F256 AromaticContact CD1-CE2 3.77Å; F192-F256 HydrophobicContact CD1-CE2 3.77Å; F192-F256 AromaticContact CD1-CZ 3.74Å; F192-F256 HydrophobicContact CD1-CZ 3.74Å; F192-F256 HydrophobicContact CE1-CD2 4.21Å; F192-F256 HydrophobicContact CE1-CE1 4.16Å; F192-F256 AromaticContact CE1-CE2 3.49Å; F192-F256 HydrophobicContact CE1-CE2 3.49Å; F192-F256 VanDerWaalsContact CE1-CE2 3.49Å; F192-F256 AromaticContact CE1-CZ 3.45Å; F192-F256 HydrophobicContact CE1-CZ 3.45Å; F192-F256 VanDerWaalsContact CE1-CZ 3.45Å; V196-F256 HydrophobicContact CB-CD2 4.48Å; V196-F256 HydrophobicContact CG1-CD2 4.21Å; V196-F256 HydrophobicContact CG2-CD2 3.9Å; V196-F256 HydrophobicContact CG2-CE2 4.09Å; F211-F256 HydrophobicContact CE1-CB 4.3Å; F211-F256 HydrophobicContact CE1-CG 4.49Å; V213-F256 HydrophobicContact CB-CD2 4.25Å; V213-F256 HydrophobicContact CB-CE1 4.41Å; V213-F256 HydrophobicContact CB-CE2 3.75Å; V213-F256 HydrophobicContact CB-CZ 3.84Å; V213-F256 HydrophobicContact CG1-CD1 4.44Å; V213-F256 HydrophobicContact CG1-CE1 3.77Å; V213-F256 HydrophobicContact CG1-CE2 3.98Å; V213-F256 HydrophobicContact CG1-CZ 3.51Å; V213-F256 HydrophobicContact CG2-CD2 4.18Å; V213-F256 HydrophobicContact CG2-CE2 4.18Å; V213-F256 HydrophobicContact CG2-CG 4.46Å; V213-F256 HydrophobicContact CG2-CZ 4.45Å; V215-F256 HydrophobicContact CG2-CE1 3.87Å; V215-F256 HydrophobicContact CG2-CZ 3.4Å; V215-F256 VanDerWaalsContact CG2-CZ 3.4Å; T252-F256 WeakPolarHBondContact O-CB 3.22Å; T252-F256 PolarHBondContact O-N 3.03Å; R253-F256 WeakPolarHBondContact O-CB 3.27Å; R253-F256 PolarHBondContact O-N 3.36Å; Y254-F256 VanDerWaalsContact C-N 3.35Å; F256-S258 VanDerWaalsContact C-N 3.29Å; F256-S258 PolarHBondContact O-N 3.13Å; F256-I259 PolarHBondContact O-N 3.37Å; F256-Y260 VanDerWaalsContact O-CB 3.26Å; F256-Y260 WeakPolarHBondContact O-CB 3.43Å; F256-Y260 PolarHBondContact O-N 2.99Å; F256-W271 HydrophobicContact CD1-CH2 4.08Å; F256-W271 HydrophobicContact CD1-CZ2 4.19Å; F256-W271 HydrophobicContact CE1-CH2 4.47Å |
| 257 | E | 82.8 | Confident | 74.2 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 12% | 0.117 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62 | -38.4 | 177.2 | -73.2 | -172.2 | -169.8 | 0 | 0 | 111.8 | R253 Y254 I255 Y260 R261 L269 W271 | R253-E257 IonicContact CZ-OE1 3.36Å; R253-E257 VanDerWaalsContact CZ-OE1 3.22Å; R253-E257 IonicContact NE-OE1 2.58Å; R253-E257 PolarHBondContact NE-OE1 3.09Å; R253-E257 IonicContact NH2-OE1 2.67Å; R253-E257 PolarHBondContact NH2-OE1 3.33Å; R253-E257 WeakPolarHBondContact O-CG 3.21Å; R253-E257 PolarHBondContact O-N 3.2Å; Y254-E257 PolarHBondContact O-N 3.4Å; I255-E257 PolarHBondContact O-N 3.1Å; E257-Y260 PolarHBondContact O-N 2.94Å; E257-R261 WeakPolarHBondContact O-CB 3.46Å; E257-R261 VanDerWaalsContact O-CG 3.23Å; E257-R261 WeakPolarHBondContact O-CG 3.45Å; E257-R261 PolarHBondContact O-N 3.37Å; E257-L269 HydrophobicContact CB-CD1 4.5Å; E257-L269 HydrophobicContact CG-CD1 4Å; E257-W271 HydrophobicContact CG-CZ2 4.11Å; E257-W271 PolarHBondContact OE1-NE1 3.45Å |
| 258 | S | 83.4 | Confident | 76 | Confident | 72 Ų | 72 | 68.2 Ų | 68.2 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64 | -50.9 | 177.1 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | Y254 I255 F256 Y260 R261 T262 | Y254-S258 VanDerWaalsContact O-CB 3.31Å; Y254-S258 WeakPolarHBondContact O-CB 3.3Å; Y254-S258 PolarHBondContact O-N 2.92Å; I255-S258 WeakPolarHBondContact O-CB 3.25Å; I255-S258 PolarHBondContact O-N 3.13Å; F256-S258 VanDerWaalsContact C-N 3.29Å; F256-S258 PolarHBondContact O-N 3.13Å; S258-Y260 VanDerWaalsContact C-N 3.31Å; S258-Y260 PolarHBondContact O-N 3.48Å; S258-R261 PolarHBondContact O-N 3.06Å; S258-T262 PolarHBondContact O-N 3.32Å; S258-T262 VanDerWaalsContact O-N 3.17Å; S258-T262 PolarHBondContact O-OG1 2.93Å; S258-T262 VanDerWaalsContact O-OG1 3.06Å |
| 259 | I | 84.5 | Confident | 77.7 | Confident | 15 Ų | 15 | 69.8 Ų | 69.8 | 8% | 0.077 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.3 | -44 | 177.1 | -63.1 | 165.9 | 0 | 0 | 0 | 110 | F192 V196 Y199 I255 F256 R261 T262 H263 | F192-I259 HydrophobicContact CE2-CG2 4.1Å; F192-I259 HydrophobicContact CZ-CB 4.46Å; F192-I259 HydrophobicContact CZ-CG2 3.87Å; V196-I259 HydrophobicContact CB-CD1 4.38Å; V196-I259 HydrophobicContact CG1-CD1 4.01Å; V196-I259 HydrophobicContact CG2-CB 4.47Å; V196-I259 HydrophobicContact CG2-CD1 4.06Å; V196-I259 HydrophobicContact CG2-CG2 4.14Å; Y199-I259 HydrophobicContact CD1-CD1 3.52Å; Y199-I259 HydrophobicContact CD1-CG1 4.28Å; Y199-I259 HydrophobicContact CE1-CD1 4.06Å; Y199-I259 HydrophobicContact CE1-CG1 4.42Å; Y199-I259 HydrophobicContact CG-CD1 3.85Å; I255-I259 HydrophobicContact CG2-CD1 3.61Å; I255-I259 HydrophobicContact CG2-CG1 4.29Å; I255-I259 VanDerWaalsContact O-CG1 3.3Å; I255-I259 WeakPolarHBondContact O-CG1 3.39Å; I255-I259 PolarHBondContact O-N 3.4Å; F256-I259 PolarHBondContact O-N 3.37Å; I259-R261 PolarHBondContact O-N 3.19Å; I259-T262 WeakPolarHBondContact O-CB 3.44Å; I259-T262 PolarHBondContact O-N 3.49Å; I259-H263 PolarHBondContact O-CD2 3.32Å; I259-H263 PolarHBondContact O-N 2.81Å; I259-H263 VanDerWaalsContact O-N 3.11Å |
| 260 | Y | 86.5 | Confident | 79.2 | Confident | 13 Ų | 13 | 73.6 Ų | 73.6 | 5% | 0.051 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.7 | -42 | -179.5 | -172.4 | -90.6 | 0 | 0 | 0 | 112.4 | F192 V215 F256 E257 S258 T262 H263 H264 R267 L269 | F192-Y260 HydrophobicContact CD1-CD2 4.3Å; F192-Y260 AromaticContact CE1-CD2 3.71Å; F192-Y260 HydrophobicContact CE1-CD2 3.71Å; F192-Y260 HydrophobicContact CE1-CG 4.43Å; F192-Y260 HydrophobicContact CE2-CD2 4.43Å; F192-Y260 AromaticContact CZ-CD2 3.79Å; F192-Y260 HydrophobicContact CZ-CD2 3.79Å; F192-Y260 HydrophobicContact CZ-CG 4.31Å; V215-Y260 HydrophobicContact CB-CE2 4.49Å; V215-Y260 HydrophobicContact CG1-CE2 3.69Å; V215-Y260 HydrophobicContact CG2-CD2 4.44Å; V215-Y260 HydrophobicContact CG2-CE2 4.29Å; F256-Y260 VanDerWaalsContact O-CB 3.26Å; F256-Y260 WeakPolarHBondContact O-CB 3.43Å; F256-Y260 PolarHBondContact O-N 2.99Å; E257-Y260 PolarHBondContact O-N 2.94Å; S258-Y260 VanDerWaalsContact C-N 3.31Å; S258-Y260 PolarHBondContact O-N 3.48Å; Y260-T262 VanDerWaalsContact C-N 3.28Å; Y260-T262 PolarHBondContact O-N 3.37Å; Y260-H263 PolarHBondContact O-N 2.92Å; Y260-H264 HydrophobicContact CD1-CB 4.41Å; Y260-H264 AromaticContact CD2-CD2 3.76Å; Y260-H264 HydrophobicContact CE1-CB 4Å; Y260-H264 AromaticContact CE2-CD2 3.33Å; Y260-H264 WeakPolarHBondContact CE2-CD2 3.31Å; Y260-H264 AromaticContact CZ-CD2 3.65Å; Y260-H264 WeakPolarHBondContact O-CB 3.33Å; Y260-H264 PolarHBondContact O-N 3.29Å; Y260-R267 HydrophobicContact CE1-CB 4.21Å; Y260-L269 HydrophobicContact CD1-CD1 3.55Å; Y260-L269 HydrophobicContact CD1-CD2 3.72Å; Y260-L269 HydrophobicContact CD1-CG 3.6Å; Y260-L269 HydrophobicContact CD2-CD2 4.45Å; Y260-L269 HydrophobicContact CE1-CD1 4.18Å; Y260-L269 HydrophobicContact CE1-CD2 3.47Å; Y260-L269 VanDerWaalsContact CE1-CD2 3.47Å; Y260-L269 HydrophobicContact CE1-CG 3.71Å; Y260-L269 HydrophobicContact CE2-CD2 4.27Å; Y260-L269 HydrophobicContact CG-CD1 3.85Å; Y260-L269 HydrophobicContact CG-CD2 4.2Å; Y260-L269 HydrophobicContact CG-CG 4.29Å |
| 261 | R | 87.1 | Confident | 80.3 | Confident | 167 Ų | 167 | 75.2 Ų | 75.2 | 63% | 0.63 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.3 | -34.9 | 176.9 | -76.6 | 175.4 | -170.8 | -139.7 | 7.8 | 112.2 | E257 S258 I259 | E257-R261 WeakPolarHBondContact O-CB 3.46Å; E257-R261 VanDerWaalsContact O-CG 3.23Å; E257-R261 WeakPolarHBondContact O-CG 3.45Å; E257-R261 PolarHBondContact O-N 3.37Å; S258-R261 PolarHBondContact O-N 3.06Å; I259-R261 PolarHBondContact O-N 3.19Å |
| 262 | T | 86.3 | Confident | 81.2 | Confident | 112 Ų | 112 | 72.8 Ų | 72.8 | 69% | 0.687 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -67.6 | -42.9 | 177 | -54.1 | 0 | 0 | 0 | 0 | 111.6 | S258 I259 Y260 | S258-T262 PolarHBondContact O-N 3.32Å; S258-T262 VanDerWaalsContact O-N 3.17Å; S258-T262 PolarHBondContact O-OG1 2.93Å; S258-T262 VanDerWaalsContact O-OG1 3.06Å; I259-T262 WeakPolarHBondContact O-CB 3.44Å; I259-T262 PolarHBondContact O-N 3.49Å; Y260-T262 VanDerWaalsContact C-N 3.28Å; Y260-T262 PolarHBondContact O-N 3.37Å |
| 263 | H | 84.6 | Confident | 81.7 | Confident | 95 Ų | 95 | 74 Ų | 74 | 44% | 0.44 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -78 | -30.1 | 179.5 | -81.3 | -101.2 | 0 | 0 | 0 | 114 | F192 E195 I259 Y260 | F192-H263 HydrophobicContact CE2-CB 4.31Å; E195-H263 IonicContact OE1-CE1 2.9Å; E195-H263 PolarHBondContact OE1-CE1 3.06Å; E195-H263 IonicContact OE1-ND1 2.74Å; E195-H263 IonicContact OE1-NE2 2.78Å; E195-H263 PolarHBondContact OE1-NE2 3.19Å; E195-H263 IonicContact OE2-CE1 3.22Å; I259-H263 PolarHBondContact O-CD2 3.32Å; I259-H263 PolarHBondContact O-N 2.81Å; I259-H263 VanDerWaalsContact O-N 3.11Å; Y260-H263 PolarHBondContact O-N 2.92Å |
| 264 | H | 84.2 | Confident | 81.9 | Confident | 51 Ų | 51 | 72.4 Ų | 72.4 | 24% | 0.236 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -130 | 78.2 | -173 | -63.5 | -52.6 | 0 | 0 | 0 | 111.5 | Y260 R267 | Y260-H264 HydrophobicContact CD1-CB 4.41Å; Y260-H264 AromaticContact CD2-CD2 3.76Å; Y260-H264 HydrophobicContact CE1-CB 4Å; Y260-H264 AromaticContact CE2-CD2 3.33Å; Y260-H264 WeakPolarHBondContact CE2-CD2 3.31Å; Y260-H264 AromaticContact CZ-CD2 3.65Å; Y260-H264 WeakPolarHBondContact O-CB 3.33Å; Y260-H264 PolarHBondContact O-N 3.29Å; H264-R267 HydrophobicContact CB-CG 4.32Å |
| 265 | S | 83.2 | Confident | 82.1 | Confident | 110 Ų | 110 | 68.1 Ų | 68.1 | 77% | 0.769 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 143.4 | 172.9 | 61.5 | 0 | 0 | 0 | 0 | 111.6 | R267 | S265-R267 VanDerWaalsContact C-N 3.3Å; S265-R267 PolarHBondContact O-N 3.13Å |
| 266 | G | 83.3 | Confident | 82.4 | Confident | 91 Ų | 91 | 67.9 Ų | 67.9 | 94% | 0.938 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 267 | R | 84.4 | Confident | 82.5 | Confident | 121 Ų | 121 | 71.6 Ų | 71.6 | 46% | 0.457 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -101.7 | 142.8 | 174.9 | -61.2 | -166.7 | -175.7 | 161.7 | 0.3 | 111.8 | Q217 Y260 H264 S265 | Q217-R267 VanDerWaalsContact NE2-NH1 3.16Å; Y260-R267 HydrophobicContact CE1-CB 4.21Å; H264-R267 HydrophobicContact CB-CG 4.32Å; S265-R267 VanDerWaalsContact C-N 3.3Å; S265-R267 PolarHBondContact O-N 3.13Å |
| 268 | K | 81.2 | Confident | 82.7 | Confident | 199 Ų | 199 | 72.1 Ų | 72.1 | 87% | 0.865 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -102.4 | 132.1 | 170.5 | -174 | 178.1 | 179.2 | -178.4 | 0 | 109.6 | ||
| 269 | L | 82.4 | Confident | 83 | Confident | 46 Ų | 46 | 74 Ų | 74 | 24% | 0.241 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -87 | 137.5 | 170 | -71.8 | 173.1 | 0 | 0 | 0 | 109.9 | V215 E257 Y260 | V215-L269 HydrophobicContact CG1-CD2 4.28Å; E257-L269 HydrophobicContact CB-CD1 4.5Å; E257-L269 HydrophobicContact CG-CD1 4Å; Y260-L269 HydrophobicContact CD1-CD1 3.55Å; Y260-L269 HydrophobicContact CD1-CD2 3.72Å; Y260-L269 HydrophobicContact CD1-CG 3.6Å; Y260-L269 HydrophobicContact CD2-CD2 4.45Å; Y260-L269 HydrophobicContact CE1-CD1 4.18Å; Y260-L269 HydrophobicContact CE1-CD2 3.47Å; Y260-L269 VanDerWaalsContact CE1-CD2 3.47Å; Y260-L269 HydrophobicContact CE1-CG 3.71Å; Y260-L269 HydrophobicContact CE2-CD2 4.27Å; Y260-L269 HydrophobicContact CG-CD1 3.85Å; Y260-L269 HydrophobicContact CG-CD2 4.2Å; Y260-L269 HydrophobicContact CG-CG 4.29Å |
| 270 | S | 80.9 | Confident | 83.3 | Confident | 103 Ų | 103 | 74.4 Ų | 74.4 | 72% | 0.72 | 40% | 0.404 | S | S | * | . | trans | -127.5 | 122.8 | 170.2 | -173 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 271 | W | 79.2 | Confident | 83.5 | Confident | 56 Ų | 56 | 76.6 Ų | 76.6 | 21% | 0.212 | 42% | 0.421 | C | S | . | . | trans | -88.3 | 128.8 | -175.7 | -69.6 | 90.9 | 0 | 0 | 0 | 110.6 | F211 V213 R253 F256 E257 Y273 | F211-W271 AromaticContact CZ-CH2 3.98Å; F211-W271 HydrophobicContact CZ-CH2 3.98Å; F211-W271 HydrophobicContact CZ-CZ3 4.25Å; V213-W271 HydrophobicContact CG1-CH2 4.05Å; V213-W271 HydrophobicContact CG1-CZ3 3.96Å; V213-W271 HydrophobicContact CG2-CH2 4.03Å; V213-W271 HydrophobicContact CG2-CZ3 4.1Å; R253-W271 HydrophobicContact CG-CH2 4.07Å; R253-W271 HydrophobicContact CG-CZ2 3.54Å; R253-W271 VanDerWaalsContact NH2-CD1 3.25Å; F256-W271 HydrophobicContact CD1-CH2 4.08Å; F256-W271 HydrophobicContact CD1-CZ2 4.19Å; F256-W271 HydrophobicContact CE1-CH2 4.47Å; E257-W271 HydrophobicContact CG-CZ2 4.11Å; E257-W271 PolarHBondContact OE1-NE1 3.45Å; W271-Y273 HydrophobicContact CB-CD1 4.35Å; W271-Y273 HydrophobicContact CB-CE1 3.68Å; W271-Y273 HydrophobicContact CB-CE2 3.87Å; W271-Y273 WeakPolarHBondContact CB-OH 3.21Å; W271-Y273 HydrophobicContact CG-CE1 4.2Å | ||
| 272 | M | 79.2 | Confident | 83.7 | Confident | 47 Ų | 47 | 68.9 Ų | 68.9 | 23% | 0.232 | 39% | 0.393 | C | S | . | . | trans | -102.3 | 76.2 | 177.5 | -71.6 | -171.8 | -96.8 | 0 | 0 | 110.7 | L225 H274 L275 | L225-M272 HydrophobicContact CB-CE 4.49Å; L225-M272 HydrophobicContact CB-SD 4.11Å; L225-M272 HydrophobicContact CD1-CE 3.62Å; L225-M272 HydrophobicContact CD1-SD 4Å; M272-H274 PolarHBondContact O-N 2.79Å; M272-L275 HydrophobicContact CB-CD1 3.98Å; M272-L275 HydrophobicContact CB-CG 4.32Å; M272-L275 PolarHBondContact O-N 3.2Å; M272-L275 VanDerWaalsContact O-N 3.08Å; M272-L275 HydrophobicContact SD-CD1 3.97Å | ||
| 273 | Y | 78.1 | Confident | 83.9 | Confident | 28 Ų | 28 | 69.5 Ų | 69.5 | 11% | 0.11 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -61.9 | -28.9 | -175.3 | -54.2 | -68.9 | 0 | 0 | 0 | 113.9 | I234 R253 W271 L275 G276 L295 | I234-Y273 HydrophobicContact CG1-CE1 4.37Å; I234-Y273 HydrophobicContact CG1-CE2 4.26Å; I234-Y273 WeakPolarHBondContact CG1-OH 3.41Å; R253-Y273 PolarHBondContact NH1-OH 3.29Å; W271-Y273 HydrophobicContact CB-CD1 4.35Å; W271-Y273 HydrophobicContact CB-CE1 3.68Å; W271-Y273 HydrophobicContact CB-CE2 3.87Å; W271-Y273 WeakPolarHBondContact CB-OH 3.21Å; W271-Y273 HydrophobicContact CG-CE1 4.2Å; Y273-L275 PolarHBondContact O-N 3.36Å; Y273-L275 VanDerWaalsContact O-N 3.16Å; Y273-G276 PolarHBondContact O-N 3.41Å; Y273-L295 HydrophobicContact CD1-CD1 3.8Å; Y273-L295 HydrophobicContact CG-CD1 4.32Å |
| 274 | H | 76.6 | Confident | 84.1 | Confident | 9 Ų | 9 | 67.9 Ų | 67.9 | 4% | 0.042 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -60.7 | -21.8 | 176.2 | 68.8 | -85.8 | 0 | 0 | 0 | 113.9 | P228 M272 Y296 | P228-H274 WeakPolarHBondContact CG-ND1 3.49Å; M272-H274 PolarHBondContact O-N 2.79Å; H274-Y296 VanDerWaalsContact CA-CE2 3.45Å; H274-Y296 HydrophobicContact CB-CE2 3.54Å |
| 275 | L | 78.9 | Confident | 84.2 | Confident | 38 Ų | 38 | 66.1 Ų | 66.1 | 20% | 0.199 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -94.7 | -11.2 | 174.6 | -56.7 | 175.4 | 0 | 0 | 0 | 112.8 | I150 L225 M272 Y273 | I150-L275 HydrophobicContact CD1-CD1 4.26Å; I150-L275 HydrophobicContact CG2-CB 4.33Å; L225-L275 HydrophobicContact CD1-CD1 4.33Å; L225-L275 HydrophobicContact CD2-CD1 3.92Å; M272-L275 HydrophobicContact CB-CD1 3.98Å; M272-L275 HydrophobicContact CB-CG 4.32Å; M272-L275 PolarHBondContact O-N 3.2Å; M272-L275 VanDerWaalsContact O-N 3.08Å; M272-L275 HydrophobicContact SD-CD1 3.97Å; Y273-L275 PolarHBondContact O-N 3.36Å; Y273-L275 VanDerWaalsContact O-N 3.16Å |
| 276 | G | 81.6 | Confident | 84.3 | Confident | 22 Ų | 22 | 66.3 Ų | 66.3 | 23% | 0.227 | 37% | 0.373 | C | S | . | . | trans | -71.4 | 142.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y273 N294 L295 | Y273-G276 PolarHBondContact O-N 3.41Å; G276-N294 WeakPolarHBondContact O-CA 3.45Å; G276-L295 PolarHBondContact O-N 3.35Å | ||
| 277 | S | 84.6 | Confident | 84.4 | Confident | 83 Ų | 83 | 69.1 Ų | 69.1 | 58% | 0.58 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 145.3 | 173.6 | 62.5 | 0 | 0 | 0 | 0 | 111 | V293 | S277-V293 CarbonylContact C-O 3.58Å; S277-V293 VanDerWaalsContact CA-O 3.3Å; S277-V293 WeakPolarHBondContact CA-O 3.44Å |
| 278 | I | 86.4 | Confident | 84.4 | Confident | 37 Ų | 37 | 66.4 Ų | 66.4 | 19% | 0.19 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 146.7 | 177.7 | -173.5 | 167.7 | 0 | 0 | 0 | 109.8 | V280 T292 V293 L295 Y298 | I278-V280 HydrophobicContact CG1-CG2 4.5Å; I278-V280 HydrophobicContact CG2-CG2 4.06Å; I278-T292 CarbonylContact O-C 3.45Å; I278-T292 WeakPolarHBondContact O-CA 3.21Å; I278-V293 HydrophobicContact CG2-CG2 3.56Å; I278-V293 PolarHBondContact N-O 2.81Å; I278-V293 PolarHBondContact O-N 3.17Å; I278-L295 HydrophobicContact CB-CD2 4.33Å; I278-L295 HydrophobicContact CG2-CD2 4.27Å; I278-Y298 HydrophobicContact CD1-CD1 4.23Å; I278-Y298 HydrophobicContact CD1-CD2 4.4Å; I278-Y298 HydrophobicContact CD1-CE1 4.13Å; I278-Y298 HydrophobicContact CD1-CE2 4.3Å; I278-Y298 HydrophobicContact CD1-CG 4.35Å; I278-Y298 HydrophobicContact CG2-CD1 4.45Å; I278-Y298 HydrophobicContact CG2-CD2 4.17Å; I278-Y298 HydrophobicContact CG2-CG 3.83Å |
| 279 | E | 90 | Very high | 84.9 | Confident | 110 Ų | 110 | 57.5 Ų | 57.5 | 51% | 0.514 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 123.2 | 171.3 | -62.3 | -166.9 | 172.3 | 0 | 0 | 109.4 | I290 K365 | E279-I290 HydrophobicContact CB-CG2 3.99Å; E279-K365 WeakPolarHBondContact OE1-CE 3.47Å; E279-K365 IonicContact OE1-NZ 2.8Å; E279-K365 PolarHBondContact OE1-NZ 3.37Å; E279-K365 WeakPolarHBondContact OE2-CE 3.37Å; E279-K365 IonicContact OE2-NZ 3.72Å; E279-K365 PolarHBondContact OE2-NZ 3.16Å |
| 280 | V | 90.3 | Very high | 85.3 | Confident | 24 Ų | 24 | 58.2 Ų | 58.2 | 15% | 0.145 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 128.5 | -175.5 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | I278 L282 I290 A291 V293 Y298 M301 | I278-V280 HydrophobicContact CG1-CG2 4.5Å; I278-V280 HydrophobicContact CG2-CG2 4.06Å; V280-L282 HydrophobicContact CG1-CD2 4.32Å; V280-I290 CarbonylContact O-C 3.55Å; V280-I290 WeakPolarHBondContact O-CA 3.33Å; V280-A291 PolarHBondContact N-O 3.2Å; V280-A291 PolarHBondContact O-N 3.38Å; V280-V293 HydrophobicContact CG2-CG2 3.66Å; V280-Y298 HydrophobicContact CG1-CE2 4.47Å; V280-Y298 HydrophobicContact CG2-CD2 3.45Å; V280-Y298 VanDerWaalsContact CG2-CD2 3.45Å; V280-Y298 HydrophobicContact CG2-CE2 3.88Å; V280-Y298 HydrophobicContact CG2-CG 4.45Å; V280-M301 HydrophobicContact CG1-CE 4.29Å |
| 281 | S | 90.9 | Very high | 85.9 | Confident | 59 Ų | 59 | 53.3 Ų | 53.3 | 41% | 0.413 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 119.3 | 172.6 | -170.2 | 0 | 0 | 0 | 0 | 110 | N283 | S281-N283 WeakPolarHBondContact CB-OD1 3.49Å; S281-N283 PolarHBondContact O-N 3.42Å; S281-N283 PolarHBondContact OG-OD1 3.2Å |
| 282 | L | 91.5 | Very high | 86.5 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 86.5 | 176.8 | -53.1 | -176.2 | 0 | 0 | 0 | 109.3 | V280 Y284 L285 C289 A291 M301 I338 F359 F366 | V280-L282 HydrophobicContact CG1-CD2 4.32Å; L282-Y284 VanDerWaalsContact C-N 3.33Å; L282-Y284 HydrophobicContact CB-CD1 4.32Å; L282-Y284 HydrophobicContact CB-CE1 3.94Å; L282-Y284 HydrophobicContact CD2-CE1 4.17Å; L282-Y284 HydrophobicContact CG-CE1 4.43Å; L282-L285 HydrophobicContact CB-CD1 3.8Å; L282-L285 HydrophobicContact CB-CG 4.36Å; L282-L285 HydrophobicContact CD1-CD1 4.01Å; L282-C289 PolarHBondContact N-O 3.22Å; L282-A291 HydrophobicContact CD1-CB 4.41Å; L282-M301 HydrophobicContact CD2-CE 3.39Å; L282-I338 HydrophobicContact CD1-CD1 4.45Å; L282-F359 HydrophobicContact CD1-CE1 4.39Å; L282-F366 HydrophobicContact CD1-CE1 4.44Å; L282-F366 HydrophobicContact CD1-CZ 4.06Å |
| 283 | N | 89.7 | Confident | 87.1 | Confident | 124 Ų | 124 | 49.4 Ų | 49.4 | 66% | 0.663 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -11.1 | -173.7 | -61.5 | -23.9 | 0 | 0 | 0 | 113.8 | S281 L285 | S281-N283 WeakPolarHBondContact CB-OD1 3.49Å; S281-N283 PolarHBondContact O-N 3.42Å; S281-N283 PolarHBondContact OG-OD1 3.2Å; N283-L285 PolarHBondContact O-N 3.16Å |
| 284 | Y | 88.6 | Confident | 87.5 | Confident | 62 Ų | 62 | 48.4 Ų | 48.4 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -10.9 | 178.8 | 71.7 | -92.3 | 0 | 0 | 0 | 113.1 | L282 L355 N356 F357 | L282-Y284 VanDerWaalsContact C-N 3.33Å; L282-Y284 HydrophobicContact CB-CD1 4.32Å; L282-Y284 HydrophobicContact CB-CE1 3.94Å; L282-Y284 HydrophobicContact CD2-CE1 4.17Å; L282-Y284 HydrophobicContact CG-CE1 4.43Å; Y284-L355 HydrophobicContact CD1-CD1 4.47Å; Y284-L355 HydrophobicContact CD1-CD2 3.95Å; Y284-L355 HydrophobicContact CD2-CD2 3.99Å; Y284-L355 HydrophobicContact CD2-CG 4.31Å; Y284-L355 HydrophobicContact CE1-CD1 3.91Å; Y284-L355 HydrophobicContact CE1-CD2 4.19Å; Y284-L355 HydrophobicContact CE1-CG 4.3Å; Y284-L355 HydrophobicContact CE2-CD1 4.35Å; Y284-L355 HydrophobicContact CE2-CD2 4.22Å; Y284-L355 HydrophobicContact CE2-CG 4.06Å; Y284-L355 HydrophobicContact CG-CD2 3.85Å; Y284-N356 VanDerWaalsContact CE2-O 3.32Å; Y284-N356 WeakPolarHBondContact CE2-O 3.34Å; Y284-F357 AromaticContact CD2-CD1 3.89Å; Y284-F357 HydrophobicContact CD2-CD1 3.89Å; Y284-F357 HydrophobicContact CD2-CE1 4.23Å |
| 285 | L | 87.8 | Confident | 87.9 | Confident | 14 Ų | 14 | 49.4 Ų | 49.4 | 7% | 0.073 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -88.1 | 152 | 179.9 | -62.2 | 170.8 | 0 | 0 | 0 | 111.2 | L282 N283 H287 C289 F359 | L282-L285 HydrophobicContact CB-CD1 3.8Å; L282-L285 HydrophobicContact CB-CG 4.36Å; L282-L285 HydrophobicContact CD1-CD1 4.01Å; N283-L285 PolarHBondContact O-N 3.16Å; L285-H287 PolarHBondContact O-N 3.47Å; L285-H287 VanDerWaalsContact O-N 3.14Å; L285-C289 HydrophobicContact CD1-CB 4.43Å; L285-F359 HydrophobicContact CD1-CD1 3.7Å; L285-F359 HydrophobicContact CD1-CE1 4.27Å; L285-F359 HydrophobicContact CD2-CB 4.09Å; L285-F359 HydrophobicContact CD2-CD1 4.28Å |
| 286 | P | 84.1 | Confident | 88.3 | Confident | 113 Ų | 113 | 48 Ų | 48 | 73% | 0.734 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -57.3 | -31.4 | 176.5 | -22.8 | 31.8 | 0 | 0 | 0 | 113.5 | ||
| 287 | H | 85.8 | Confident | 88.7 | Confident | 151 Ų | 151 | 47 Ų | 47 | 70% | 0.699 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -121.3 | 113.1 | 173.6 | -64.8 | -43.1 | 0 | 0 | 0 | 109.3 | L285 C289 | L285-H287 PolarHBondContact O-N 3.47Å; L285-H287 VanDerWaalsContact O-N 3.14Å; H287-C289 PolarHBondContact O-N 2.91Å; H287-C289 PolarHBondContact O-SG 3.24Å |
| 288 | P | 83.7 | Confident | 88.9 | Confident | 63 Ų | 63 | 44.3 Ų | 44.3 | 41% | 0.409 | 24% | 0.237 | S | C | . | . | trans | -63.1 | 123.6 | -176 | 22.8 | -31.7 | 0 | 0 | 0 | 110.3 | ||||
| 289 | C | 91.5 | Very high | 88.9 | Confident | 13 Ų | 13 | 42.6 Ų | 42.6 | 9% | 0.088 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 149.2 | 179.1 | -65.3 | 0 | 0 | 0 | 0 | 110 | L282 L285 H287 T361 R364 F366 | L282-C289 PolarHBondContact N-O 3.22Å; L285-C289 HydrophobicContact CD1-CB 4.43Å; H287-C289 PolarHBondContact O-N 2.91Å; H287-C289 PolarHBondContact O-SG 3.24Å; C289-T361 HydrophobicContact CB-CG2 4.17Å; C289-T361 VanDerWaalsContact SG-CG2 3.52Å; C289-R364 CarbonylContact C-O 3.49Å; C289-R364 WeakPolarHBondContact CA-O 3.24Å; C289-F366 HydrophobicContact CB-CE1 4.12Å |
| 290 | I | 92.5 | Very high | 88.9 | Confident | 60 Ų | 60 | 37.3 Ų | 37.3 | 31% | 0.308 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 118.1 | 179.1 | -58.9 | 173.8 | 0 | 0 | 0 | 108.8 | E279 V280 R364 K365 F366 | E279-I290 HydrophobicContact CB-CG2 3.99Å; V280-I290 CarbonylContact O-C 3.55Å; V280-I290 WeakPolarHBondContact O-CA 3.33Å; I290-R364 PolarHBondContact N-O 3.42Å; I290-K365 HydrophobicContact CB-CB 4.44Å; I290-K365 HydrophobicContact CB-CG 4.24Å; I290-K365 HydrophobicContact CG2-CD 4.42Å; I290-K365 HydrophobicContact CG2-CG 4.3Å; I290-K365 VanDerWaalsContact O-CA 3.29Å; I290-K365 WeakPolarHBondContact O-CA 3.28Å; I290-F366 PolarHBondContact O-N 3.08Å |
| 291 | A | 93.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 122.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V280 L282 V293 F366 I368 | V280-A291 PolarHBondContact N-O 3.2Å; V280-A291 PolarHBondContact O-N 3.38Å; L282-A291 HydrophobicContact CD1-CB 4.41Å; A291-V293 HydrophobicContact CB-CG1 3.97Å; A291-F366 CarbonylContact C-O 3.59Å; A291-F366 WeakPolarHBondContact CA-O 3.12Å; A291-F366 HydrophobicContact CB-CE1 4.27Å; A291-F366 HydrophobicContact CB-CE2 3.92Å; A291-F366 HydrophobicContact CB-CZ 3.76Å; A291-I368 HydrophobicContact CB-CD1 4.46Å |
| 292 | T | 91.9 | Very high | 88.7 | Confident | 20 Ų | 20 | 35.3 Ų | 35.3 | 12% | 0.123 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 114.2 | 166 | -53.7 | 0 | 0 | 0 | 0 | 108.4 | I278 F366 K367 I368 | I278-T292 CarbonylContact O-C 3.45Å; I278-T292 WeakPolarHBondContact O-CA 3.21Å; T292-F366 PolarHBondContact N-O 3.21Å; T292-K367 HydrophobicContact CG2-CD 4.45Å; T292-K367 HydrophobicContact CG2-CG 4.27Å; T292-K367 WeakPolarHBondContact O-CA 2.95Å; T292-I368 PolarHBondContact O-N 3.14Å |
| 293 | V | 91.3 | Very high | 88.6 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 159.1 | -175.7 | -55.2 | 0 | 0 | 0 | 0 | 110.4 | S277 I278 V280 A291 Q297 M301 I368 | S277-V293 CarbonylContact C-O 3.58Å; S277-V293 VanDerWaalsContact CA-O 3.3Å; S277-V293 WeakPolarHBondContact CA-O 3.44Å; I278-V293 HydrophobicContact CG2-CG2 3.56Å; I278-V293 PolarHBondContact N-O 2.81Å; I278-V293 PolarHBondContact O-N 3.17Å; V280-V293 HydrophobicContact CG2-CG2 3.66Å; A291-V293 HydrophobicContact CB-CG1 3.97Å; V293-Q297 HydrophobicContact CB-CB 3.93Å; V293-Q297 HydrophobicContact CG2-CB 4.49Å; V293-M301 HydrophobicContact CG1-SD 3.96Å; V293-M301 HydrophobicContact CG2-SD 4.34Å; V293-I368 HydrophobicContact CG1-CB 4.09Å; V293-I368 HydrophobicContact CG1-CD1 3.45Å; V293-I368 VanDerWaalsContact CG1-CD1 3.45Å; V293-I368 HydrophobicContact CG1-CG1 3.81Å |
| 294 | N | 87 | Confident | 88.6 | Confident | 7 Ų | 7 | 30.2 Ų | 30.2 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 169.2 | 168.3 | 73.7 | 5.5 | 0 | 0 | 0 | 110.7 | G276 Y296 Q297 Y298 N329 S370 | G276-N294 WeakPolarHBondContact O-CA 3.45Å; N294-Y296 VanDerWaalsContact C-N 3.28Å; N294-Y296 PolarHBondContact O-N 2.94Å; N294-Y296 PolarHBondContact OD1-N 2.95Å; N294-Q297 PolarHBondContact O-N 2.97Å; N294-Q297 WeakPolarHBondContact OD1-CB 3.33Å; N294-Q297 VanDerWaalsContact OD1-CD 3.22Å; N294-Q297 WeakPolarHBondContact OD1-CG 3.46Å; N294-Q297 PolarHBondContact OD1-N 3.17Å; N294-Q297 PolarHBondContact OD1-OE1 3.42Å; N294-Y298 PolarHBondContact O-N 2.8Å; N294-N329 PolarHBondContact ND2-OD1 3.17Å; N294-N329 PolarHBondContact OD1-OD1 3.42Å; N294-S370 PolarHBondContact ND2-OG 3.33Å |
| 295 | L | 84.6 | Confident | 88.5 | Confident | 30 Ų | 30 | 31.9 Ų | 31.9 | 16% | 0.157 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.3 | -29.3 | -176.8 | -67.4 | 177.5 | 0 | 0 | 0 | 113.6 | Y273 G276 I278 S299 | Y273-L295 HydrophobicContact CD1-CD1 3.8Å; Y273-L295 HydrophobicContact CG-CD1 4.32Å; G276-L295 PolarHBondContact O-N 3.35Å; I278-L295 HydrophobicContact CB-CD2 4.33Å; I278-L295 HydrophobicContact CG2-CD2 4.27Å; L295-S299 PolarHBondContact O-N 2.88Å |
| 296 | Y | 85.9 | Confident | 88.4 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.5 | -44.4 | 177.1 | -56 | -53.8 | 0 | 0 | 0 | 112 | P235 H274 N294 Y298 S299 L300 L321 V325 | P235-Y296 HydrophobicContact CG-CD1 4.2Å; P235-Y296 HydrophobicContact CG-CE1 4.22Å; H274-Y296 VanDerWaalsContact CA-CE2 3.45Å; H274-Y296 HydrophobicContact CB-CE2 3.54Å; N294-Y296 VanDerWaalsContact C-N 3.28Å; N294-Y296 PolarHBondContact O-N 2.94Å; N294-Y296 PolarHBondContact OD1-N 2.95Å; Y296-Y298 VanDerWaalsContact C-N 3.26Å; Y296-Y298 PolarHBondContact O-N 3.03Å; Y296-S299 WeakPolarHBondContact O-CB 3.26Å; Y296-S299 PolarHBondContact O-N 2.9Å; Y296-S299 VanDerWaalsContact O-N 3.12Å; Y296-S299 PolarHBondContact O-OG 3.43Å; Y296-L300 PolarHBondContact O-N 2.8Å; Y296-L321 HydrophobicContact CD1-CD1 4.39Å; Y296-L321 HydrophobicContact CD1-CD2 3.54Å; Y296-L321 HydrophobicContact CE1-CD2 3.91Å; Y296-L321 HydrophobicContact CG-CD2 4.49Å; Y296-V325 HydrophobicContact CD2-CG1 4.05Å; Y296-V325 HydrophobicContact CE2-CG1 4.24Å; Y296-V325 HydrophobicContact CG-CG1 4.23Å |
| 297 | Q | 90.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.4 | -43.4 | 171 | -73.4 | 160.4 | -12.2 | 0 | 0 | 110.6 | V293 N294 S299 L300 M301 N329 S332 L333 I368 P369 | V293-Q297 HydrophobicContact CB-CB 3.93Å; V293-Q297 HydrophobicContact CG2-CB 4.49Å; N294-Q297 PolarHBondContact O-N 2.97Å; N294-Q297 WeakPolarHBondContact OD1-CB 3.33Å; N294-Q297 VanDerWaalsContact OD1-CD 3.22Å; N294-Q297 WeakPolarHBondContact OD1-CG 3.46Å; N294-Q297 PolarHBondContact OD1-N 3.17Å; N294-Q297 PolarHBondContact OD1-OE1 3.42Å; Q297-S299 VanDerWaalsContact C-N 3.34Å; Q297-S299 PolarHBondContact O-N 3.26Å; Q297-L300 WeakPolarHBondContact O-CB 3.02Å; Q297-L300 PolarHBondContact O-N 2.89Å; Q297-M301 VanDerWaalsContact O-CG 3.31Å; Q297-M301 WeakPolarHBondContact O-CG 3.06Å; Q297-M301 PolarHBondContact O-N 3.21Å; Q297-N329 HydrophobicContact CG-CB 4.15Å; Q297-S332 PolarHBondContact NE2-OG 3.48Å; Q297-L333 HydrophobicContact CB-CD1 4.25Å; Q297-L333 HydrophobicContact CB-CD2 4.25Å; Q297-L333 HydrophobicContact CB-CG 4.48Å; Q297-L333 HydrophobicContact CG-CD1 4.35Å; Q297-L333 HydrophobicContact CG-CD2 4.24Å; Q297-L333 HydrophobicContact CG-CG 4.22Å; Q297-I368 VanDerWaalsContact NE2-CG2 3.29Å; Q297-P369 PolarHBondContact NE2-O 2.74Å |
| 298 | Y | 88.7 | Confident | 89 | Confident | 28 Ų | 28 | 36.6 Ų | 36.6 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.2 | -41.6 | 175.2 | 179.1 | -112.6 | 0 | 0 | 0 | 112.8 | L238 M247 I278 V280 N294 Y296 L300 M301 Q302 | L238-Y298 HydrophobicContact CD2-CD1 3.94Å; L238-Y298 HydrophobicContact CD2-CE1 3.82Å; M247-Y298 HydrophobicContact CE-CE1 4.07Å; I278-Y298 HydrophobicContact CD1-CD1 4.23Å; I278-Y298 HydrophobicContact CD1-CD2 4.4Å; I278-Y298 HydrophobicContact CD1-CE1 4.13Å; I278-Y298 HydrophobicContact CD1-CE2 4.3Å; I278-Y298 HydrophobicContact CD1-CG 4.35Å; I278-Y298 HydrophobicContact CG2-CD1 4.45Å; I278-Y298 HydrophobicContact CG2-CD2 4.17Å; I278-Y298 HydrophobicContact CG2-CG 3.83Å; V280-Y298 HydrophobicContact CG1-CE2 4.47Å; V280-Y298 HydrophobicContact CG2-CD2 3.45Å; V280-Y298 VanDerWaalsContact CG2-CD2 3.45Å; V280-Y298 HydrophobicContact CG2-CE2 3.88Å; V280-Y298 HydrophobicContact CG2-CG 4.45Å; N294-Y298 PolarHBondContact O-N 2.8Å; Y296-Y298 VanDerWaalsContact C-N 3.26Å; Y296-Y298 PolarHBondContact O-N 3.03Å; Y298-L300 PolarHBondContact O-N 2.9Å; Y298-M301 PolarHBondContact O-N 3.08Å; Y298-M301 VanDerWaalsContact O-N 3.12Å; Y298-Q302 WeakPolarHBondContact O-CB 3.49Å; Y298-Q302 PolarHBondContact O-N 2.76Å |
| 299 | S | 86.3 | Confident | 89.4 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.3 | -37.3 | 176.4 | 67.8 | 0 | 0 | 0 | 0 | 112.9 | C237 L295 Y296 Q297 | C237-S299 WeakPolarHBondContact SG-CB 3.41Å; L295-S299 PolarHBondContact O-N 2.88Å; Y296-S299 WeakPolarHBondContact O-CB 3.26Å; Y296-S299 PolarHBondContact O-N 2.9Å; Y296-S299 VanDerWaalsContact O-N 3.12Å; Y296-S299 PolarHBondContact O-OG 3.43Å; Q297-S299 VanDerWaalsContact C-N 3.34Å; Q297-S299 PolarHBondContact O-N 3.26Å |
| 300 | L | 90.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.6 | -43.9 | 174.8 | -58.4 | 173.3 | 0 | 0 | 0 | 111.3 | Y296 Q297 Y298 Q302 C303 F304 M315 T319 F326 N329 L330 L333 F339 | Y296-L300 PolarHBondContact O-N 2.8Å; Q297-L300 WeakPolarHBondContact O-CB 3.02Å; Q297-L300 PolarHBondContact O-N 2.89Å; Y298-L300 PolarHBondContact O-N 2.9Å; L300-Q302 VanDerWaalsContact C-N 3.3Å; L300-Q302 PolarHBondContact O-N 3.44Å; L300-C303 VanDerWaalsContact O-CB 3.27Å; L300-C303 WeakPolarHBondContact O-CB 3.14Å; L300-C303 PolarHBondContact O-N 2.84Å; L300-F304 WeakPolarHBondContact O-CD2 3.46Å; L300-M315 HydrophobicContact CB-SD 4.36Å; L300-M315 HydrophobicContact CD2-CE 4.07Å; L300-M315 HydrophobicContact CD2-CG 3.97Å; L300-M315 HydrophobicContact CD2-SD 3.99Å; L300-T319 HydrophobicContact CD2-CG2 3.92Å; L300-F326 HydrophobicContact CD2-CD2 3.59Å; L300-F326 HydrophobicContact CD2-CE2 3.39Å; L300-F326 HydrophobicContact CD2-CZ 4.45Å; L300-N329 HydrophobicContact CD1-CB 4.01Å; L300-L330 HydrophobicContact CD1-CB 4.29Å; L300-L333 HydrophobicContact CB-CD1 4.05Å; L300-L333 HydrophobicContact CD1-CD1 3.94Å; L300-F339 HydrophobicContact CB-CE2 4.16Å |
| 301 | M | 90.8 | Very high | 89.5 | Confident | 18 Ų | 18 | 39.1 Ų | 39.1 | 9% | 0.089 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.6 | -35.9 | 178.6 | -65.5 | 173.7 | 78 | 0 | 0 | 112.6 | V280 L282 V293 Q297 Y298 C303 F304 L333 I338 F339 | V280-M301 HydrophobicContact CG1-CE 4.29Å; L282-M301 HydrophobicContact CD2-CE 3.39Å; V293-M301 HydrophobicContact CG1-SD 3.96Å; V293-M301 HydrophobicContact CG2-SD 4.34Å; Q297-M301 VanDerWaalsContact O-CG 3.31Å; Q297-M301 WeakPolarHBondContact O-CG 3.06Å; Q297-M301 PolarHBondContact O-N 3.21Å; Y298-M301 PolarHBondContact O-N 3.08Å; Y298-M301 VanDerWaalsContact O-N 3.12Å; M301-C303 PolarHBondContact O-N 3.07Å; M301-F304 PolarHBondContact O-N 3.12Å; M301-L333 HydrophobicContact CG-CD1 4.29Å; M301-L333 HydrophobicContact SD-CD2 4.33Å; M301-I338 HydrophobicContact CE-CD1 4.42Å; M301-I338 HydrophobicContact CE-CG2 4.41Å; M301-F339 HydrophobicContact CG-CZ 4.09Å |
| 302 | Q | 87.3 | Confident | 89.4 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.2 | -26.4 | 178.4 | -170.3 | -176.8 | -17 | 0 | 0 | 112.5 | C237 T243 Y298 L300 F304 N305 | C237-Q302 PolarHBondContact O-NE2 2.96Å; C237-Q302 PolarHBondContact O-OE1 3.19Å; T243-Q302 VanDerWaalsContact CG2-NE2 3.28Å; T243-Q302 PolarHBondContact OG1-NE2 3.41Å; Y298-Q302 WeakPolarHBondContact O-CB 3.49Å; Y298-Q302 PolarHBondContact O-N 2.76Å; L300-Q302 VanDerWaalsContact C-N 3.3Å; L300-Q302 PolarHBondContact O-N 3.44Å; Q302-F304 PolarHBondContact O-N 2.73Å; Q302-N305 PolarHBondContact O-N 3.01Å |
| 303 | C | 88.4 | Confident | 89.3 | Confident | 9 Ų | 9 | 43.4 Ų | 43.4 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -57.9 | -28.1 | 173.1 | -70.3 | 0 | 0 | 0 | 0 | 111.8 | L300 M301 R307 M310 M315 | L300-C303 VanDerWaalsContact O-CB 3.27Å; L300-C303 WeakPolarHBondContact O-CB 3.14Å; L300-C303 PolarHBondContact O-N 2.84Å; M301-C303 PolarHBondContact O-N 3.07Å; C303-R307 WeakPolarHBondContact O-CD 3.41Å; C303-R307 WeakPolarHBondContact O-CG 3.31Å; C303-R307 PolarHBondContact O-NE 2.95Å; C303-M310 HydrophobicContact CB-SD 3.81Å; C303-M315 HydrophobicContact CB-CG 4.45Å |
| 304 | F | 90.1 | Very high | 89.2 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -96.8 | 12.6 | -174.8 | -62.7 | -90.2 | 0 | 0 | 0 | 114.3 | L300 M301 Q302 H306 R307 M310 M315 F339 I353 L355 | L300-F304 WeakPolarHBondContact O-CD2 3.46Å; M301-F304 PolarHBondContact O-N 3.12Å; Q302-F304 PolarHBondContact O-N 2.73Å; F304-H306 VanDerWaalsContact C-N 3.25Å; F304-H306 PolarHBondContact O-N 2.62Å; F304-R307 CarbonylContact C-O 3.42Å; F304-R307 WeakPolarHBondContact CA-O 3.42Å; F304-R307 WeakPolarHBondContact CB-O 3.38Å; F304-R307 WeakPolarHBondContact CD1-O 3.21Å; F304-M310 HydrophobicContact CE1-CB 4.23Å; F304-M310 HydrophobicContact CZ-CB 4.15Å; F304-M315 HydrophobicContact CE2-SD 3.85Å; F304-M315 HydrophobicContact CZ-SD 4.28Å; F304-F339 HydrophobicContact CD2-CD1 4.42Å; F304-F339 AromaticContact CD2-CE1 3.43Å; F304-F339 HydrophobicContact CD2-CE1 3.43Å; F304-F339 VanDerWaalsContact CD2-CE1 3.43Å; F304-F339 AromaticContact CD2-CZ 3.51Å; F304-F339 HydrophobicContact CD2-CZ 3.51Å; F304-F339 HydrophobicContact CE2-CD1 4.18Å; F304-F339 AromaticContact CE2-CE1 3.49Å; F304-F339 HydrophobicContact CE2-CE1 3.49Å; F304-F339 VanDerWaalsContact CE2-CE1 3.49Å; F304-F339 HydrophobicContact CE2-CE2 4.08Å; F304-F339 AromaticContact CE2-CZ 3.42Å; F304-F339 HydrophobicContact CE2-CZ 3.42Å; F304-F339 VanDerWaalsContact CE2-CZ 3.42Å; F304-F339 HydrophobicContact CG-CE1 4.1Å; F304-F339 HydrophobicContact CZ-CD1 4.5Å; F304-F339 HydrophobicContact CZ-CE1 4.19Å; F304-F339 HydrophobicContact CZ-CZ 4.42Å; F304-I353 WeakPolarHBondContact CE1-O 3.49Å; F304-I353 HydrophobicContact CE2-CG2 4.42Å; F304-I353 HydrophobicContact CZ-CB 4.11Å; F304-I353 HydrophobicContact CZ-CG2 3.77Å; F304-L355 HydrophobicContact CB-CD1 4.46Å; F304-L355 HydrophobicContact CB-CD2 4.5Å; F304-L355 HydrophobicContact CD1-CB 4.15Å |
| 305 | N | 87.2 | Confident | 89.3 | Confident | 97 Ų | 97 | 46.9 Ų | 46.9 | 52% | 0.519 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -66 | -27.2 | 178.3 | -77.8 | -19.8 | 0 | 0 | 0 | 113.7 | Q302 | Q302-N305 PolarHBondContact O-N 3.01Š|
| 306 | H | 86 | Confident | 89.5 | Confident | 189 Ų | 189 | 48.1 Ų | 48.1 | 88% | 0.875 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -132.5 | 10.8 | -175.5 | -56.4 | -50.4 | 0 | 0 | 0 | 113 | F304 | F304-H306 VanDerWaalsContact C-N 3.25Å; F304-H306 PolarHBondContact O-N 2.62Å |
| 307 | R | 89.5 | Confident | 89.6 | Confident | 92 Ų | 92 | 51.2 Ų | 51.2 | 35% | 0.347 | 27% | 0.267 | S | S | . | . | trans | -152.9 | 147.2 | -179.3 | 54.2 | -179.6 | 167.7 | -154.8 | -5.7 | 109.9 | C303 F304 M310 | C303-R307 WeakPolarHBondContact O-CD 3.41Å; C303-R307 WeakPolarHBondContact O-CG 3.31Å; C303-R307 PolarHBondContact O-NE 2.95Å; F304-R307 CarbonylContact C-O 3.42Å; F304-R307 WeakPolarHBondContact CA-O 3.42Å; F304-R307 WeakPolarHBondContact CB-O 3.38Å; F304-R307 WeakPolarHBondContact CD1-O 3.21Å; R307-M310 PolarHBondContact NE-SD 3.2Å; R307-M310 PolarHBondContact NH2-SD 3.3Å | ||
| 308 | D | 92 | Very high | 89.3 | Confident | 96 Ų | 96 | 53.7 Ų | 53.7 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -96.3 | -18.9 | -176.2 | -59.9 | -21.2 | 0 | 0 | 0 | 112.7 | L355 F357 | D308-L355 PolarHBondContact O-N 3.39Å; D308-F357 HydrophobicContact CB-CE2 4.04Å; D308-F357 HydrophobicContact CB-CZ 4.14Å |
| 309 | Q | 93.3 | Very high | 89 | Confident | 117 Ų | 117 | 52.4 Ų | 52.4 | 55% | 0.547 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 151.9 | -179.7 | 69.3 | -172.9 | 24 | 0 | 0 | 111.5 | V352 I353 H354 | Q309-V352 HydrophobicContact CB-CG1 4.09Å; Q309-I353 CarbonylContact C-O 3.54Å; Q309-I353 VanDerWaalsContact CA-O 3.24Å; Q309-I353 WeakPolarHBondContact CA-O 3.23Å; Q309-H354 PolarHBondContact OE1-CE1 3.42Å; Q309-H354 PolarHBondContact OE1-ND1 2.67Å |
| 310 | M | 92.4 | Very high | 88.9 | Confident | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.049 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 142.1 | 179 | -168.5 | 177.7 | -172.8 | 0 | 0 | 110.8 | C303 F304 R307 D314 M315 T318 I353 | C303-M310 HydrophobicContact CB-SD 3.81Å; F304-M310 HydrophobicContact CE1-CB 4.23Å; F304-M310 HydrophobicContact CZ-CB 4.15Å; R307-M310 PolarHBondContact NE-SD 3.2Å; R307-M310 PolarHBondContact NH2-SD 3.3Å; M310-D314 HydrophobicContact CE-CB 3.48Å; M310-D314 VanDerWaalsContact CE-CB 3.48Å; M310-D314 VanDerWaalsContact CE-O 3.25Å; M310-D314 WeakPolarHBondContact CE-O 3.5Å; M310-D314 HydrophobicContact CG-CB 4.28Å; M310-M315 HydrophobicContact CE-CB 4.23Å; M310-M315 HydrophobicContact CG-CB 4.37Å; M310-M315 HydrophobicContact SD-CB 3.77Å; M310-M315 HydrophobicContact SD-CG 4.05Å; M310-T318 WeakPolarHBondContact CE-OG1 3.38Å; M310-I353 PolarHBondContact N-O 2.65Å; M310-I353 PolarHBondContact O-N 3.16Å |
| 311 | L | 92.7 | Very high | 88.5 | Confident | 62 Ų | 62 | 57.8 Ų | 57.8 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 139.7 | 170.1 | -74.9 | 164 | 0 | 0 | 0 | 110.5 | S313 D314 M315 V352 | L311-S313 VanDerWaalsContact C-N 3.28Å; L311-S313 PolarHBondContact O-N 2.86Å; L311-D314 HydrophobicContact CB-CB 4.22Å; L311-D314 PolarHBondContact O-N 3.19Å; L311-M315 PolarHBondContact O-N 3.07Å; L311-V352 HydrophobicContact CD2-CG2 3.86Å |
| 312 | E | 92.4 | Very high | 88.3 | Confident | 43 Ų | 43 | 60 Ų | 60 | 20% | 0.201 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.1 | -40.2 | 179 | -171.2 | 178 | 145.2 | 0 | 0 | 112.1 | M315 L316 F326 L330 Q341 P351 I353 | E312-M315 WeakPolarHBondContact O-CB 3.21Å; E312-M315 PolarHBondContact O-N 2.74Å; E312-L316 PolarHBondContact O-N 3.44Å; E312-F326 HydrophobicContact CG-CE1 3.58Å; E312-F326 HydrophobicContact CG-CZ 3.72Å; E312-L330 HydrophobicContact CG-CD2 3.9Å; E312-Q341 PolarHBondContact OE2-NE2 3.38Å; E312-P351 HydrophobicContact CB-CG 3.88Å; E312-P351 WeakPolarHBondContact CB-O 3.23Å; E312-P351 HydrophobicContact CG-CG 4.48Å; E312-P351 PolarHBondContact N-O 2.6Å; E312-P351 WeakPolarHBondContact OE2-CG 3.4Å; E312-I353 HydrophobicContact CB-CG1 4.27Å |
| 313 | S | 90.2 | Very high | 88.3 | Confident | 68 Ų | 68 | 61.9 Ų | 61.9 | 48% | 0.476 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 176.7 | 52.2 | 0 | 0 | 0 | 0 | 112.7 | L311 M315 L316 A317 | L311-S313 VanDerWaalsContact C-N 3.28Å; L311-S313 PolarHBondContact O-N 2.86Å; S313-M315 VanDerWaalsContact C-N 3.26Å; S313-M315 PolarHBondContact O-N 2.9Å; S313-L316 PolarHBondContact O-N 2.81Å; S313-A317 WeakPolarHBondContact O-CB 3.45Å; S313-A317 PolarHBondContact O-N 3.05Å |
| 314 | D | 89.2 | Confident | 88.2 | Confident | 81 Ų | 81 | 66.9 Ų | 66.9 | 43% | 0.433 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66 | -34.7 | 176.7 | -67.4 | -19.3 | 0 | 0 | 0 | 110.7 | M310 L311 A317 T318 | M310-D314 HydrophobicContact CE-CB 3.48Å; M310-D314 VanDerWaalsContact CE-CB 3.48Å; M310-D314 VanDerWaalsContact CE-O 3.25Å; M310-D314 WeakPolarHBondContact CE-O 3.5Å; M310-D314 HydrophobicContact CG-CB 4.28Å; L311-D314 HydrophobicContact CB-CB 4.22Å; L311-D314 PolarHBondContact O-N 3.19Å; D314-A317 PolarHBondContact O-N 3.08Å; D314-T318 WeakPolarHBondContact O-CB 3.46Å; D314-T318 PolarHBondContact O-N 3.36Å; D314-T318 PolarHBondContact O-OG1 3.28Å |
| 315 | M | 89 | Confident | 88 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.5 | -41.5 | -179.4 | -167.4 | 172 | 58 | 0 | 0 | 110.5 | L300 C303 F304 M310 L311 E312 S313 T318 T319 F326 L330 I353 | L300-M315 HydrophobicContact CB-SD 4.36Å; L300-M315 HydrophobicContact CD2-CE 4.07Å; L300-M315 HydrophobicContact CD2-CG 3.97Å; L300-M315 HydrophobicContact CD2-SD 3.99Å; C303-M315 HydrophobicContact CB-CG 4.45Å; F304-M315 HydrophobicContact CE2-SD 3.85Å; F304-M315 HydrophobicContact CZ-SD 4.28Å; M310-M315 HydrophobicContact CE-CB 4.23Å; M310-M315 HydrophobicContact CG-CB 4.37Å; M310-M315 HydrophobicContact SD-CB 3.77Å; M310-M315 HydrophobicContact SD-CG 4.05Å; L311-M315 PolarHBondContact O-N 3.07Å; E312-M315 WeakPolarHBondContact O-CB 3.21Å; E312-M315 PolarHBondContact O-N 2.74Å; S313-M315 VanDerWaalsContact C-N 3.26Å; S313-M315 PolarHBondContact O-N 2.9Å; M315-T318 PolarHBondContact O-N 3.08Å; M315-T319 WeakPolarHBondContact O-CG2 3.46Å; M315-T319 PolarHBondContact O-N 3.15Å; M315-T319 PolarHBondContact O-OG1 2.98Å; M315-F326 HydrophobicContact CB-CE2 4.17Å; M315-F326 HydrophobicContact CB-CZ 4.25Å; M315-F326 HydrophobicContact CE-CE2 3.73Å; M315-F326 HydrophobicContact CE-CZ 3.46Å; M315-F326 VanDerWaalsContact CE-CZ 3.46Å; M315-F326 HydrophobicContact CG-CE2 4.02Å; M315-F326 HydrophobicContact CG-CZ 4.42Å; M315-L330 HydrophobicContact CE-CD1 3.72Å; M315-L330 HydrophobicContact CE-CD2 4Å; M315-L330 HydrophobicContact CE-CG 4.42Å; M315-I353 HydrophobicContact CE-CB 4.5Å; M315-I353 HydrophobicContact CE-CG1 4.01Å |
| 316 | L | 88 | Confident | 88.1 | Confident | 56 Ų | 56 | 63.8 Ų | 63.8 | 29% | 0.293 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 171.3 | -179.9 | 65.1 | 0 | 0 | 0 | 110.9 | E312 S313 T318 T319 N320 L321 F326 | E312-L316 PolarHBondContact O-N 3.44Å; S313-L316 PolarHBondContact O-N 2.81Å; L316-T318 PolarHBondContact O-N 2.87Å; L316-T319 PolarHBondContact O-N 3.29Å; L316-T319 PolarHBondContact O-OG1 2.77Å; L316-N320 PolarHBondContact O-N 3.02Å; L316-L321 WeakPolarHBondContact CD1-O 3.4Å; L316-F326 HydrophobicContact CB-CD2 4.24Å; L316-F326 HydrophobicContact CB-CE1 4.38Å; L316-F326 HydrophobicContact CB-CE2 4.05Å; L316-F326 HydrophobicContact CB-CG 4.47Å; L316-F326 HydrophobicContact CB-CZ 4.12Å; L316-F326 HydrophobicContact CD1-CB 3.58Å; L316-F326 HydrophobicContact CD1-CD1 4.03Å; L316-F326 HydrophobicContact CD1-CD2 3.79Å; L316-F326 HydrophobicContact CD1-CE2 4.45Å; L316-F326 HydrophobicContact CD1-CG 3.54Å |
| 317 | A | 87 | Confident | 88.3 | Confident | 73 Ų | 73 | 60.8 Ų | 60.8 | 60% | 0.603 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.6 | -39.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S313 D314 | S313-A317 WeakPolarHBondContact O-CB 3.45Å; S313-A317 PolarHBondContact O-N 3.05Å; D314-A317 PolarHBondContact O-N 3.08Å |
| 318 | T | 84.2 | Confident | 88.4 | Confident | 53 Ų | 53 | 60.9 Ų | 60.9 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.3 | -38.8 | -179.6 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | M310 D314 M315 L316 | M310-T318 WeakPolarHBondContact CE-OG1 3.38Å; D314-T318 WeakPolarHBondContact O-CB 3.46Å; D314-T318 PolarHBondContact O-N 3.36Å; D314-T318 PolarHBondContact O-OG1 3.28Å; M315-T318 PolarHBondContact O-N 3.08Å; L316-T318 PolarHBondContact O-N 2.87Å |
| 319 | T | 83.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -82.6 | -23.3 | -178.8 | 56.8 | 0 | 0 | 0 | 0 | 113 | L300 M315 L316 L321 | L300-T319 HydrophobicContact CD2-CG2 3.92Å; M315-T319 WeakPolarHBondContact O-CG2 3.46Å; M315-T319 PolarHBondContact O-N 3.15Å; M315-T319 PolarHBondContact O-OG1 2.98Å; L316-T319 PolarHBondContact O-N 3.29Å; L316-T319 PolarHBondContact O-OG1 2.77Å; T319-L321 PolarHBondContact O-N 3.23Å |
| 320 | N | 83.2 | Confident | 88.3 | Confident | 98 Ų | 98 | 51 Ų | 51 | 52% | 0.524 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 42 | -178.1 | -166.2 | 43.2 | 0 | 0 | 0 | 112.3 | L316 | L316-N320 PolarHBondContact O-N 3.02Š|
| 321 | L | 83.1 | Confident | 88.3 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | trans | -90.7 | 155 | 175.9 | -63.3 | 177.3 | 0 | 0 | 0 | 110.4 | P232 P235 Y296 L316 T319 F326 | P232-L321 HydrophobicContact CG-CD2 4.46Å; P235-L321 HydrophobicContact CG-CD2 4.23Å; Y296-L321 HydrophobicContact CD1-CD1 4.39Å; Y296-L321 HydrophobicContact CD1-CD2 3.54Å; Y296-L321 HydrophobicContact CE1-CD2 3.91Å; Y296-L321 HydrophobicContact CG-CD2 4.49Å; L316-L321 WeakPolarHBondContact CD1-O 3.4Å; T319-L321 PolarHBondContact O-N 3.23Å; L321-F326 HydrophobicContact CB-CB 4.15Å | ||
| 322 | D | 85.5 | Confident | 88.3 | Confident | 65 Ų | 65 | 52.2 Ų | 52.2 | 35% | 0.348 | 29% | 0.29 | S | S | . | . | trans | -59.9 | 140.2 | 165.2 | -177.5 | -85 | 0 | 0 | 0 | 110.1 | E324 V325 F326 | D322-E324 VanDerWaalsContact C-N 3.29Å; D322-E324 PolarHBondContact O-N 2.78Å; D322-E324 WeakPolarHBondContact OD1-CB 3.44Å; D322-E324 PolarHBondContact OD1-N 3.24Å; D322-V325 HydrophobicContact CB-CB 4.28Å; D322-V325 HydrophobicContact CB-CG2 4.07Å; D322-V325 PolarHBondContact O-N 2.96Å; D322-V325 VanDerWaalsContact O-N 3.11Å; D322-F326 WeakPolarHBondContact O-CB 3.14Å; D322-F326 PolarHBondContact O-N 2.61Å | ||
| 323 | A | 87.2 | Confident | 88.4 | Confident | 61 Ų | 61 | 50.2 Ų | 50.2 | 50% | 0.504 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.3 | -40.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F326 E327 | A323-F326 PolarHBondContact O-N 3.04Å; A323-E327 WeakPolarHBondContact O-CB 3.28Å; A323-E327 PolarHBondContact O-N 3.38Å |
| 324 | E | 87.3 | Confident | 88.6 | Confident | 115 Ų | 115 | 48.3 Ų | 48.3 | 54% | 0.537 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.5 | -37.8 | -180 | -169.2 | -172.9 | 170.2 | 0 | 0 | 111.1 | D322 K328 | D322-E324 VanDerWaalsContact C-N 3.29Å; D322-E324 PolarHBondContact O-N 2.78Å; D322-E324 WeakPolarHBondContact OD1-CB 3.44Å; D322-E324 PolarHBondContact OD1-N 3.24Å; E324-K328 HydrophobicContact CG-CD 4.42Å; E324-K328 WeakPolarHBondContact O-CB 3.43Å; E324-K328 VanDerWaalsContact O-CG 3.3Å; E324-K328 WeakPolarHBondContact O-CG 3.11Å; E324-K328 PolarHBondContact O-N 3.36Å; E324-K328 WeakPolarHBondContact OE1-CE 3.35Å; E324-K328 IonicContact OE1-NZ 3.3Å; E324-K328 PolarHBondContact OE1-NZ 3.07Å |
| 325 | V | 84.8 | Confident | 88.7 | Confident | 41 Ų | 41 | 49.3 Ų | 49.3 | 25% | 0.248 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.6 | -44 | 176.3 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | Y296 D322 N329 | Y296-V325 HydrophobicContact CD2-CG1 4.05Å; Y296-V325 HydrophobicContact CE2-CG1 4.24Å; Y296-V325 HydrophobicContact CG-CG1 4.23Å; D322-V325 HydrophobicContact CB-CB 4.28Å; D322-V325 HydrophobicContact CB-CG2 4.07Å; D322-V325 PolarHBondContact O-N 2.96Å; D322-V325 VanDerWaalsContact O-N 3.11Å; V325-N329 WeakPolarHBondContact CG1-ND2 3.32Å; V325-N329 PolarHBondContact O-N 3.43Å; V325-N329 VanDerWaalsContact O-N 3.13Å; V325-N329 PolarHBondContact O-ND2 3.28Å |
| 326 | F | 89.1 | Confident | 88.8 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 2% | 0.022 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.9 | -55.6 | 177.3 | 172.9 | -92.6 | 0 | 0 | 0 | 111 | L300 E312 M315 L316 L321 D322 A323 K328 N329 L330 | L300-F326 HydrophobicContact CD2-CD2 3.59Å; L300-F326 HydrophobicContact CD2-CE2 3.39Å; L300-F326 HydrophobicContact CD2-CZ 4.45Å; E312-F326 HydrophobicContact CG-CE1 3.58Å; E312-F326 HydrophobicContact CG-CZ 3.72Å; M315-F326 HydrophobicContact CB-CE2 4.17Å; M315-F326 HydrophobicContact CB-CZ 4.25Å; M315-F326 HydrophobicContact CE-CE2 3.73Å; M315-F326 HydrophobicContact CE-CZ 3.46Å; M315-F326 VanDerWaalsContact CE-CZ 3.46Å; M315-F326 HydrophobicContact CG-CE2 4.02Å; M315-F326 HydrophobicContact CG-CZ 4.42Å; L316-F326 HydrophobicContact CB-CD2 4.24Å; L316-F326 HydrophobicContact CB-CE1 4.38Å; L316-F326 HydrophobicContact CB-CE2 4.05Å; L316-F326 HydrophobicContact CB-CG 4.47Å; L316-F326 HydrophobicContact CB-CZ 4.12Å; L316-F326 HydrophobicContact CD1-CB 3.58Å; L316-F326 HydrophobicContact CD1-CD1 4.03Å; L316-F326 HydrophobicContact CD1-CD2 3.79Å; L316-F326 HydrophobicContact CD1-CE2 4.45Å; L316-F326 HydrophobicContact CD1-CG 3.54Å; L321-F326 HydrophobicContact CB-CB 4.15Å; D322-F326 WeakPolarHBondContact O-CB 3.14Å; D322-F326 PolarHBondContact O-N 2.61Å; A323-F326 PolarHBondContact O-N 3.04Å; F326-K328 VanDerWaalsContact C-N 3.35Å; F326-K328 PolarHBondContact O-N 3.28Å; F326-N329 PolarHBondContact O-N 2.65Å; F326-N329 VanDerWaalsContact O-N 3.12Å; F326-L330 HydrophobicContact CE1-CD2 3.72Å; F326-L330 HydrophobicContact CZ-CD2 3.94Å; F326-L330 WeakPolarHBondContact O-CB 3.46Å; F326-L330 PolarHBondContact O-N 2.57Å |
| 327 | E | 91.1 | Very high | 89 | Confident | 126 Ų | 126 | 50.5 Ų | 50.5 | 59% | 0.589 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -57.6 | -46.9 | -176.1 | -173.3 | -175.4 | 175.9 | 0 | 0 | 111.2 | A323 N329 L330 Q331 | A323-E327 WeakPolarHBondContact O-CB 3.28Å; A323-E327 PolarHBondContact O-N 3.38Å; E327-N329 PolarHBondContact O-N 3.26Å; E327-L330 PolarHBondContact O-N 2.87Å; E327-Q331 WeakPolarHBondContact O-CB 3.3Å; E327-Q331 PolarHBondContact O-N 3.2Å |
| 328 | K | 90.5 | Very high | 89.2 | Confident | 94 Ų | 94 | 47 Ų | 47 | 41% | 0.409 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 178.4 | -73.6 | 177.9 | -174.6 | 171 | 0 | 113 | E324 F326 S332 P371 | E324-K328 HydrophobicContact CG-CD 4.42Å; E324-K328 WeakPolarHBondContact O-CB 3.43Å; E324-K328 VanDerWaalsContact O-CG 3.3Å; E324-K328 WeakPolarHBondContact O-CG 3.11Å; E324-K328 PolarHBondContact O-N 3.36Å; E324-K328 WeakPolarHBondContact OE1-CE 3.35Å; E324-K328 IonicContact OE1-NZ 3.3Å; E324-K328 PolarHBondContact OE1-NZ 3.07Å; F326-K328 VanDerWaalsContact C-N 3.35Å; F326-K328 PolarHBondContact O-N 3.28Å; K328-S332 PolarHBondContact O-N 2.92Å; K328-P371 HydrophobicContact CB-CB 3.76Å; K328-P371 HydrophobicContact CB-CG 4.11Å; K328-P371 WeakPolarHBondContact O-CG 3.33Å |
| 329 | N | 91 | Very high | 89.7 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -74.4 | -36.8 | 178.5 | -73.5 | -79 | 0 | 0 | 0 | 111.2 | N294 Q297 L300 V325 F326 E327 S332 L333 P371 | N294-N329 PolarHBondContact ND2-OD1 3.17Å; N294-N329 PolarHBondContact OD1-OD1 3.42Å; Q297-N329 HydrophobicContact CG-CB 4.15Å; L300-N329 HydrophobicContact CD1-CB 4.01Å; V325-N329 WeakPolarHBondContact CG1-ND2 3.32Å; V325-N329 PolarHBondContact O-N 3.43Å; V325-N329 VanDerWaalsContact O-N 3.13Å; V325-N329 PolarHBondContact O-ND2 3.28Å; F326-N329 PolarHBondContact O-N 2.65Å; F326-N329 VanDerWaalsContact O-N 3.12Å; E327-N329 PolarHBondContact O-N 3.26Å; N329-S332 PolarHBondContact O-N 2.8Å; N329-S332 PolarHBondContact O-OG 3.33Å; N329-L333 WeakPolarHBondContact O-CG 3.29Å; N329-L333 PolarHBondContact O-N 3.49Å; N329-P371 WeakPolarHBondContact OD1-CD 3.36Å |
| 330 | L | 93.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -50 | 173.5 | 178.8 | 55.3 | 0 | 0 | 0 | 110.8 | L300 E312 M315 F326 E327 S332 L333 L334 F339 I353 | L300-L330 HydrophobicContact CD1-CB 4.29Å; E312-L330 HydrophobicContact CG-CD2 3.9Å; M315-L330 HydrophobicContact CE-CD1 3.72Å; M315-L330 HydrophobicContact CE-CD2 4Å; M315-L330 HydrophobicContact CE-CG 4.42Å; F326-L330 HydrophobicContact CE1-CD2 3.72Å; F326-L330 HydrophobicContact CZ-CD2 3.94Å; F326-L330 WeakPolarHBondContact O-CB 3.46Å; F326-L330 PolarHBondContact O-N 2.57Å; E327-L330 PolarHBondContact O-N 2.87Å; L330-S332 PolarHBondContact O-N 2.87Å; L330-L333 WeakPolarHBondContact O-CA 3.28Å; L330-L333 WeakPolarHBondContact O-CB 3.43Å; L330-L333 PolarHBondContact O-N 3.48Å; L330-L334 HydrophobicContact CD1-CD1 4.32Å; L330-L334 HydrophobicContact CD1-CG 4.23Å; L330-L334 HydrophobicContact CG-CD1 3.98Å; L330-L334 HydrophobicContact CG-CG 4.38Å; L330-L334 WeakPolarHBondContact O-CG 3.43Å; L330-L334 PolarHBondContact O-N 2.97Å; L330-F339 HydrophobicContact CD1-CD2 3.94Å; L330-I353 HydrophobicContact CD1-CD1 4.36Å; L330-I353 HydrophobicContact CD1-CG2 4.46Å; L330-I353 HydrophobicContact CD2-CD1 4.21Å |
| 331 | Q | 92.8 | Very high | 90.6 | Very high | 89 Ų | 89 | 47.9 Ų | 47.9 | 42% | 0.416 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -56.1 | -40.7 | 177.7 | -170 | 60.9 | 48.6 | 0 | 0 | 111.7 | E327 L333 L334 D335 | E327-Q331 WeakPolarHBondContact O-CB 3.3Å; E327-Q331 PolarHBondContact O-N 3.2Å; Q331-L333 PolarHBondContact O-N 2.8Å; Q331-L334 PolarHBondContact O-N 3.19Å; Q331-D335 PolarHBondContact NE2-OD1 3.39Å; Q331-D335 WeakPolarHBondContact O-CB 3.26Å; Q331-D335 PolarHBondContact O-N 3.4Å |
| 332 | S | 92.6 | Very high | 90.9 | Very high | 9 Ų | 9 | 53.1 Ų | 53.1 | 6% | 0.063 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.9 | -26.5 | 177.6 | 70.9 | 0 | 0 | 0 | 0 | 114.4 | Q297 K328 N329 L330 | Q297-S332 PolarHBondContact NE2-OG 3.48Å; K328-S332 PolarHBondContact O-N 2.92Å; N329-S332 PolarHBondContact O-N 2.8Å; N329-S332 PolarHBondContact O-OG 3.33Å; L330-S332 PolarHBondContact O-N 2.87Å |
| 333 | L | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -84.6 | -34 | 176 | -65.2 | 172.4 | 0 | 0 | 0 | 111.7 | Q297 L300 M301 N329 L330 Q331 A337 I338 F339 I368 | Q297-L333 HydrophobicContact CB-CD1 4.25Å; Q297-L333 HydrophobicContact CB-CD2 4.25Å; Q297-L333 HydrophobicContact CB-CG 4.48Å; Q297-L333 HydrophobicContact CG-CD1 4.35Å; Q297-L333 HydrophobicContact CG-CD2 4.24Å; Q297-L333 HydrophobicContact CG-CG 4.22Å; L300-L333 HydrophobicContact CB-CD1 4.05Å; L300-L333 HydrophobicContact CD1-CD1 3.94Å; M301-L333 HydrophobicContact CG-CD1 4.29Å; M301-L333 HydrophobicContact SD-CD2 4.33Å; N329-L333 WeakPolarHBondContact O-CG 3.29Å; N329-L333 PolarHBondContact O-N 3.49Å; L330-L333 WeakPolarHBondContact O-CA 3.28Å; L330-L333 WeakPolarHBondContact O-CB 3.43Å; L330-L333 PolarHBondContact O-N 3.48Å; Q331-L333 PolarHBondContact O-N 2.8Å; L333-A337 PolarHBondContact O-N 3.5Å; L333-I338 HydrophobicContact CD2-CD1 4.31Å; L333-I338 PolarHBondContact O-N 3.49Å; L333-F339 HydrophobicContact CB-CD2 3.71Å; L333-F339 HydrophobicContact CB-CE2 4.12Å; L333-F339 HydrophobicContact CB-CG 4.47Å; L333-F339 HydrophobicContact CD1-CD2 3.92Å; L333-F339 HydrophobicContact CD1-CE2 3.42Å; L333-F339 VanDerWaalsContact CD1-CE2 3.42Å; L333-F339 HydrophobicContact CD1-CZ 4.26Å; L333-F339 HydrophobicContact CG-CD2 4.45Å; L333-F339 HydrophobicContact CG-CE2 4.37Å; L333-I368 HydrophobicContact CD2-CD1 3.54Å; L333-I368 HydrophobicContact CD2-CG2 4.29Å |
| 334 | L | 93.6 | Very high | 90.2 | Very high | 28 Ų | 28 | 54.7 Ų | 54.7 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 172.2 | -67.5 | 172.2 | 0 | 0 | 0 | 111.7 | L330 Q331 I336 A337 F339 Q341 | L330-L334 HydrophobicContact CD1-CD1 4.32Å; L330-L334 HydrophobicContact CD1-CG 4.23Å; L330-L334 HydrophobicContact CG-CD1 3.98Å; L330-L334 HydrophobicContact CG-CG 4.38Å; L330-L334 WeakPolarHBondContact O-CG 3.43Å; L330-L334 PolarHBondContact O-N 2.97Å; Q331-L334 PolarHBondContact O-N 3.19Å; L334-I336 PolarHBondContact O-N 3.1Å; L334-A337 WeakPolarHBondContact O-CA 3.16Å; L334-A337 PolarHBondContact O-N 3.01Å; L334-F339 HydrophobicContact CD2-CB 3.77Å; L334-Q341 HydrophobicContact CD1-CB 4.36Å; L334-Q341 HydrophobicContact CD2-CB 3.96Å |
| 335 | D | 91.9 | Very high | 89.5 | Confident | 102 Ų | 102 | 57.5 Ų | 57.5 | 55% | 0.545 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -32.1 | 178.6 | -73.1 | -10.1 | 0 | 0 | 0 | 112.7 | Q331 A337 | Q331-D335 PolarHBondContact NE2-OD1 3.39Å; Q331-D335 WeakPolarHBondContact O-CB 3.26Å; Q331-D335 PolarHBondContact O-N 3.4Å; D335-A337 VanDerWaalsContact C-N 3.33Å |
| 336 | I | 90.8 | Very high | 88.8 | Confident | 48 Ų | 48 | 62.3 Ų | 62.3 | 25% | 0.246 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -7.6 | 176.4 | -70.1 | 167.2 | 0 | 0 | 0 | 111.3 | L334 I338 F359 F366 I368 | L334-I336 PolarHBondContact O-N 3.1Å; I336-I338 VanDerWaalsContact C-N 3.32Å; I336-I338 HydrophobicContact CG2-CD1 4.4Å; I336-I338 HydrophobicContact CG2-CG1 4.09Å; I336-I338 PolarHBondContact O-N 2.95Å; I336-F359 HydrophobicContact CG2-CE2 3.83Å; I336-F359 HydrophobicContact CG2-CZ 4.18Å; I336-F359 WeakPolarHBondContact O-CE2 3.02Å; I336-F366 HydrophobicContact CG2-CE2 4.37Å; I336-I368 HydrophobicContact CD1-CB 4.14Å; I336-I368 HydrophobicContact CD1-CD1 4.48Å; I336-I368 HydrophobicContact CD1-CG1 3.97Å; I336-I368 HydrophobicContact CD1-CG2 3.8Å |
| 337 | A | 92.2 | Very high | 87.7 | Confident | 33 Ų | 33 | 67.9 Ų | 67.9 | 27% | 0.273 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 35.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L333 L334 D335 F339 N356 F359 | L333-A337 PolarHBondContact O-N 3.5Å; L334-A337 WeakPolarHBondContact O-CA 3.16Å; L334-A337 PolarHBondContact O-N 3.01Å; D335-A337 VanDerWaalsContact C-N 3.33Å; A337-F339 VanDerWaalsContact C-N 3.34Å; A337-N356 WeakPolarHBondContact O-CB 3.34Å; A337-N356 PolarHBondContact O-ND2 3.34Å; A337-F359 WeakPolarHBondContact O-CD2 3.48Å |
| 338 | I | 92.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -72.4 | -38.4 | 163.1 | -70.4 | -178.4 | 0 | 0 | 0 | 109.6 | L282 M301 L333 I336 N356 F359 F366 I368 | L282-I338 HydrophobicContact CD1-CD1 4.45Å; M301-I338 HydrophobicContact CE-CD1 4.42Å; M301-I338 HydrophobicContact CE-CG2 4.41Å; L333-I338 HydrophobicContact CD2-CD1 4.31Å; L333-I338 PolarHBondContact O-N 3.49Å; I336-I338 VanDerWaalsContact C-N 3.32Å; I336-I338 HydrophobicContact CG2-CD1 4.4Å; I336-I338 HydrophobicContact CG2-CG1 4.09Å; I336-I338 PolarHBondContact O-N 2.95Å; I338-N356 VanDerWaalsContact O-CB 3.29Å; I338-N356 WeakPolarHBondContact O-CB 3.3Å; I338-N356 PolarHBondContact O-N 2.93Å; I338-F359 HydrophobicContact CG1-CD2 4.5Å; I338-F359 HydrophobicContact CG1-CE2 4.34Å; I338-F359 HydrophobicContact CG1-CZ 4.46Å; I338-F366 HydrophobicContact CD1-CE2 4.4Å; I338-F366 HydrophobicContact CD1-CZ 4.42Å; I338-I368 HydrophobicContact CD1-CD1 3.34Å |
| 339 | F | 94.3 | Very high | 85.8 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.009 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 155.1 | 171.5 | -62.9 | -32.7 | 0 | 0 | 0 | 110.6 | L300 M301 F304 L330 L333 L334 A337 I353 H354 L355 | L300-F339 HydrophobicContact CB-CE2 4.16Å; M301-F339 HydrophobicContact CG-CZ 4.09Å; F304-F339 HydrophobicContact CD2-CD1 4.42Å; F304-F339 AromaticContact CD2-CE1 3.43Å; F304-F339 HydrophobicContact CD2-CE1 3.43Å; F304-F339 VanDerWaalsContact CD2-CE1 3.43Å; F304-F339 AromaticContact CD2-CZ 3.51Å; F304-F339 HydrophobicContact CD2-CZ 3.51Å; F304-F339 HydrophobicContact CE2-CD1 4.18Å; F304-F339 AromaticContact CE2-CE1 3.49Å; F304-F339 HydrophobicContact CE2-CE1 3.49Å; F304-F339 VanDerWaalsContact CE2-CE1 3.49Å; F304-F339 HydrophobicContact CE2-CE2 4.08Å; F304-F339 AromaticContact CE2-CZ 3.42Å; F304-F339 HydrophobicContact CE2-CZ 3.42Å; F304-F339 VanDerWaalsContact CE2-CZ 3.42Å; F304-F339 HydrophobicContact CG-CE1 4.1Å; F304-F339 HydrophobicContact CZ-CD1 4.5Å; F304-F339 HydrophobicContact CZ-CE1 4.19Å; F304-F339 HydrophobicContact CZ-CZ 4.42Å; L330-F339 HydrophobicContact CD1-CD2 3.94Å; L333-F339 HydrophobicContact CB-CD2 3.71Å; L333-F339 HydrophobicContact CB-CE2 4.12Å; L333-F339 HydrophobicContact CB-CG 4.47Å; L333-F339 HydrophobicContact CD1-CD2 3.92Å; L333-F339 HydrophobicContact CD1-CE2 3.42Å; L333-F339 VanDerWaalsContact CD1-CE2 3.42Å; L333-F339 HydrophobicContact CD1-CZ 4.26Å; L333-F339 HydrophobicContact CG-CD2 4.45Å; L333-F339 HydrophobicContact CG-CE2 4.37Å; L334-F339 HydrophobicContact CD2-CB 3.77Å; A337-F339 VanDerWaalsContact C-N 3.34Å; F339-I353 HydrophobicContact CB-CG2 3.76Å; F339-I353 HydrophobicContact CD1-CG2 4.37Å; F339-I353 HydrophobicContact CD2-CG2 4.05Å; F339-I353 HydrophobicContact CG-CG2 3.84Å; F339-H354 CarbonylContact C-O 3.6Å; F339-H354 VanDerWaalsContact CA-O 3.29Å; F339-H354 WeakPolarHBondContact CA-O 3.43Å; F339-L355 HydrophobicContact CD1-CD1 4.17Å; F339-L355 HydrophobicContact CE1-CD1 3.95Å |
| 340 | L | 93.9 | Very high | 85.1 | Confident | 83 Ų | 83 | 68.3 Ų | 68.3 | 44% | 0.435 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 143.4 | 167.6 | -58.7 | 173.6 | 0 | 0 | 0 | 107.7 | I353 H354 N356 | L340-I353 CarbonylContact O-C 3.27Å; L340-I353 WeakPolarHBondContact O-CA 3.12Å; L340-H354 HydrophobicContact CB-CB 4.46Å; L340-H354 PolarHBondContact N-O 3.1Å; L340-H354 PolarHBondContact O-N 3.38Å; L340-N356 HydrophobicContact CD1-CB 4.18Å; L340-N356 HydrophobicContact CD2-CB 4.45Å; L340-N356 HydrophobicContact CG-CB 3.95Å |
| 341 | Q | 92.2 | Very high | 84.9 | Confident | 85 Ų | 85 | 68.9 Ų | 68.9 | 40% | 0.397 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 121.9 | 176.4 | -174.4 | 175 | 32.3 | 0 | 0 | 108.2 | E312 L334 V343 P351 I353 | E312-Q341 PolarHBondContact OE2-NE2 3.38Å; L334-Q341 HydrophobicContact CD1-CB 4.36Å; L334-Q341 HydrophobicContact CD2-CB 3.96Å; Q341-V343 HydrophobicContact CG-CG2 4.18Å; Q341-P351 HydrophobicContact CG-CB 3.84Å; Q341-I353 HydrophobicContact CB-CD1 3.93Å; Q341-I353 HydrophobicContact CG-CD1 3.74Å |
| 342 | E | 87.9 | Confident | 84.9 | Confident | 124 Ų | 124 | 66.5 Ų | 66.5 | 58% | 0.579 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 124.1 | 170.6 | -171.2 | 171.1 | 175.9 | 0 | 0 | 108.3 | P351 V352 H354 | E342-P351 WeakPolarHBondContact O-CA 3.34Å; E342-V352 PolarHBondContact N-O 2.81Å; E342-V352 PolarHBondContact O-N 3.24Å; E342-H354 IonicContact OE2-CE1 2.61Å; E342-H354 IonicContact OE2-NE2 3.26Å; E342-H354 PolarHBondContact OE2-NE2 2.97Å |
| 343 | V | 84.4 | Confident | 85 | Confident | 72 Ų | 72 | 66.1 Ų | 66.1 | 44% | 0.436 | 36% | 0.363 | S | S | . | . | trans | -111.3 | 113.6 | 177.1 | -174.5 | 0 | 0 | 0 | 0 | 106.9 | Q341 M345 P348 P351 | Q341-V343 HydrophobicContact CG-CG2 4.18Å; V343-M345 PolarHBondContact O-N 2.8Å; V343-P348 HydrophobicContact CG1-CB 4.12Å; V343-P351 HydrophobicContact CG2-CB 4.35Å | ||
| 344 | D | 74.4 | Confident | 85 | Confident | 87 Ų | 87 | 67.9 Ų | 67.9 | 47% | 0.465 | 37% | 0.372 | S | S | . | . | trans | -69.3 | 127.6 | 171.6 | -168 | -19.8 | 0 | 0 | 0 | 108.8 | N346 E347 | D344-N346 PolarHBondContact O-N 3.37Å; D344-N346 PolarHBondContact OD1-N 2.63Å; D344-N346 PolarHBondContact OD1-ND2 2.76Å; D344-E347 CarbonylContact O-C 3.56Å; D344-E347 VanDerWaalsContact O-C 3.27Å; D344-E347 PolarHBondContact O-N 2.94Å | ||
| 345 | M | 72.6 | Confident | 85 | Confident | 174 Ų | 174 | 67.4 Ų | 67.4 | 86% | 0.857 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -63.2 | -21.8 | 178.8 | -65.4 | -67.1 | -72.9 | 0 | 0 | 112.2 | V343 | V343-M345 PolarHBondContact O-N 2.8Š|
| 346 | N | 70.6 | Confident | 85.1 | Confident | 142 Ų | 142 | 63.5 Ų | 63.5 | 76% | 0.759 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -85.6 | -28.3 | 179.1 | -61.9 | -44 | 0 | 0 | 0 | 113.2 | D344 | D344-N346 PolarHBondContact O-N 3.37Å; D344-N346 PolarHBondContact OD1-N 2.63Å; D344-N346 PolarHBondContact OD1-ND2 2.76Å |
| 347 | E | 66.4 | Low | 85.1 | Confident | 122 Ų | 122 | 66.4 Ų | 66.4 | 57% | 0.57 | 36% | 0.359 | S | S | * | . | trans | -137.8 | 79 | 176.4 | -73.9 | -168.2 | 172.7 | 0 | 0 | 111.1 | D344 S349 S350 | D344-E347 CarbonylContact O-C 3.56Å; D344-E347 VanDerWaalsContact O-C 3.27Å; D344-E347 PolarHBondContact O-N 2.94Å; E347-S349 PolarHBondContact O-N 2.73Å; E347-S350 PolarHBondContact O-N 3.26Å; E347-S350 PolarHBondContact O-OG 3.07Å | ||
| 348 | P | 68.7 | Low | 85 | Confident | 91 Ų | 91 | 68.5 Ų | 68.5 | 59% | 0.591 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -10 | -178.6 | 25.6 | -33.8 | 0 | 0 | 0 | 113.8 | V343 S350 | V343-P348 HydrophobicContact CG1-CB 4.12Å; P348-S350 VanDerWaalsContact C-N 3.35Å |
| 349 | S | 72.2 | Confident | 84.8 | Confident | 107 Ų | 107 | 69.5 Ų | 69.5 | 75% | 0.748 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -6.9 | 179.9 | 47.9 | 0 | 0 | 0 | 0 | 114.7 | E347 | E347-S349 PolarHBondContact O-N 2.73Š|
| 350 | S | 75.4 | Confident | 84.4 | Confident | 33 Ų | 33 | 78 Ų | 78 | 23% | 0.231 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -128.4 | 57 | -175.7 | 46.5 | 0 | 0 | 0 | 0 | 112.5 | E347 P348 V352 | E347-S350 PolarHBondContact O-N 3.26Å; E347-S350 PolarHBondContact O-OG 3.07Å; P348-S350 VanDerWaalsContact C-N 3.35Å; S350-V352 PolarHBondContact O-N 3.36Å |
| 351 | P | 89.5 | Confident | 84 | Confident | 16 Ų | 16 | 76.5 Ų | 76.5 | 10% | 0.104 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 134.7 | 177.4 | 24.5 | -33.6 | 0 | 0 | 0 | 111.5 | E312 Q341 E342 V343 | E312-P351 HydrophobicContact CB-CG 3.88Å; E312-P351 WeakPolarHBondContact CB-O 3.23Å; E312-P351 HydrophobicContact CG-CG 4.48Å; E312-P351 PolarHBondContact N-O 2.6Å; E312-P351 WeakPolarHBondContact OE2-CG 3.4Å; Q341-P351 HydrophobicContact CG-CB 3.84Å; E342-P351 WeakPolarHBondContact O-CA 3.34Å; V343-P351 HydrophobicContact CG2-CB 4.35Å |
| 352 | V | 92.9 | Very high | 83.7 | Confident | 39 Ų | 39 | 83 Ų | 83 | 24% | 0.236 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 129.7 | 175.3 | -174 | 0 | 0 | 0 | 0 | 108.3 | Q309 L311 E342 S350 H354 | Q309-V352 HydrophobicContact CB-CG1 4.09Å; L311-V352 HydrophobicContact CD2-CG2 3.86Å; E342-V352 PolarHBondContact N-O 2.81Å; E342-V352 PolarHBondContact O-N 3.24Å; S350-V352 PolarHBondContact O-N 3.36Å; V352-H354 VanDerWaalsContact CG1-NE2 3.32Å; V352-H354 WeakPolarHBondContact CG1-NE2 3.25Å; V352-H354 PolarHBondContact O-CD2 2.85Å |
| 353 | I | 94.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 84.2 Ų | 84.2 | 0% | 0 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 126.6 | 177.4 | -53.6 | -59 | 0 | 0 | 0 | 108.6 | F304 Q309 M310 E312 M315 L330 F339 L340 Q341 | F304-I353 WeakPolarHBondContact CE1-O 3.49Å; F304-I353 HydrophobicContact CE2-CG2 4.42Å; F304-I353 HydrophobicContact CZ-CB 4.11Å; F304-I353 HydrophobicContact CZ-CG2 3.77Å; Q309-I353 CarbonylContact C-O 3.54Å; Q309-I353 VanDerWaalsContact CA-O 3.24Å; Q309-I353 WeakPolarHBondContact CA-O 3.23Å; M310-I353 PolarHBondContact N-O 2.65Å; M310-I353 PolarHBondContact O-N 3.16Å; E312-I353 HydrophobicContact CB-CG1 4.27Å; M315-I353 HydrophobicContact CE-CB 4.5Å; M315-I353 HydrophobicContact CE-CG1 4.01Å; L330-I353 HydrophobicContact CD1-CD1 4.36Å; L330-I353 HydrophobicContact CD1-CG2 4.46Å; L330-I353 HydrophobicContact CD2-CD1 4.21Å; F339-I353 HydrophobicContact CB-CG2 3.76Å; F339-I353 HydrophobicContact CD1-CG2 4.37Å; F339-I353 HydrophobicContact CD2-CG2 4.05Å; F339-I353 HydrophobicContact CG-CG2 3.84Å; L340-I353 CarbonylContact O-C 3.27Å; L340-I353 WeakPolarHBondContact O-CA 3.12Å; Q341-I353 HydrophobicContact CB-CD1 3.93Å; Q341-I353 HydrophobicContact CG-CD1 3.74Å |
| 354 | H | 94.2 | Very high | 83.7 | Confident | 38 Ų | 38 | 90.1 Ų | 90.1 | 18% | 0.176 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 144.7 | 179.6 | -59.4 | -99.9 | 0 | 0 | 0 | 110.9 | Q309 F339 L340 E342 V352 | Q309-H354 PolarHBondContact OE1-CE1 3.42Å; Q309-H354 PolarHBondContact OE1-ND1 2.67Å; F339-H354 CarbonylContact C-O 3.6Å; F339-H354 VanDerWaalsContact CA-O 3.29Å; F339-H354 WeakPolarHBondContact CA-O 3.43Å; L340-H354 HydrophobicContact CB-CB 4.46Å; L340-H354 PolarHBondContact N-O 3.1Å; L340-H354 PolarHBondContact O-N 3.38Å; E342-H354 IonicContact OE2-CE1 2.61Å; E342-H354 IonicContact OE2-NE2 3.26Å; E342-H354 PolarHBondContact OE2-NE2 2.97Å; V352-H354 VanDerWaalsContact CG1-NE2 3.32Å; V352-H354 WeakPolarHBondContact CG1-NE2 3.25Å; V352-H354 PolarHBondContact O-CD2 2.85Å |
| 355 | L | 93.2 | Very high | 84.5 | Confident | 18 Ų | 18 | 91.1 Ų | 91.1 | 9% | 0.094 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 126 | 169.1 | -172.1 | 66.7 | 0 | 0 | 0 | 110.3 | Y284 F304 D308 F339 F357 | Y284-L355 HydrophobicContact CD1-CD1 4.47Å; Y284-L355 HydrophobicContact CD1-CD2 3.95Å; Y284-L355 HydrophobicContact CD2-CD2 3.99Å; Y284-L355 HydrophobicContact CD2-CG 4.31Å; Y284-L355 HydrophobicContact CE1-CD1 3.91Å; Y284-L355 HydrophobicContact CE1-CD2 4.19Å; Y284-L355 HydrophobicContact CE1-CG 4.3Å; Y284-L355 HydrophobicContact CE2-CD1 4.35Å; Y284-L355 HydrophobicContact CE2-CD2 4.22Å; Y284-L355 HydrophobicContact CE2-CG 4.06Å; Y284-L355 HydrophobicContact CG-CD2 3.85Å; F304-L355 HydrophobicContact CB-CD1 4.46Å; F304-L355 HydrophobicContact CB-CD2 4.5Å; F304-L355 HydrophobicContact CD1-CB 4.15Å; D308-L355 PolarHBondContact O-N 3.39Å; F339-L355 HydrophobicContact CD1-CD1 4.17Å; F339-L355 HydrophobicContact CE1-CD1 3.95Å; L355-F357 HydrophobicContact CB-CE2 4.32Å; L355-F357 HydrophobicContact CD2-CE1 4.21Å; L355-F357 HydrophobicContact CD2-CZ 4.08Å; L355-F357 VanDerWaalsContact O-CD2 3.31Å; L355-F357 WeakPolarHBondContact O-CD2 3Å; L355-F357 PolarHBondContact O-N 3.43Å; L355-F357 VanDerWaalsContact O-N 3.09Å |
| 356 | N | 93.8 | Very high | 85.4 | Confident | 20 Ų | 20 | 84 Ų | 84 | 11% | 0.107 | 42% | 0.42 | C | S | . | . | trans | -79.7 | 92.7 | -179.6 | -173.1 | 4.7 | 0 | 0 | 0 | 112.1 | Y284 A337 I338 L340 A358 F359 | Y284-N356 VanDerWaalsContact CE2-O 3.32Å; Y284-N356 WeakPolarHBondContact CE2-O 3.34Å; A337-N356 WeakPolarHBondContact O-CB 3.34Å; A337-N356 PolarHBondContact O-ND2 3.34Å; I338-N356 VanDerWaalsContact O-CB 3.29Å; I338-N356 WeakPolarHBondContact O-CB 3.3Å; I338-N356 PolarHBondContact O-N 2.93Å; L340-N356 HydrophobicContact CD1-CB 4.18Å; L340-N356 HydrophobicContact CD2-CB 4.45Å; L340-N356 HydrophobicContact CG-CB 3.95Å; N356-A358 PolarHBondContact O-N 2.83Å; N356-A358 WeakPolarHBondContact OD1-CA 3.43Å; N356-A358 PolarHBondContact OD1-N 2.96Å; N356-F359 HydrophobicContact CB-CB 4.25Å; N356-F359 WeakPolarHBondContact O-CB 3.34Å; N356-F359 PolarHBondContact O-N 2.86Å; N356-F359 PolarHBondContact OD1-N 3.29Å | ||
| 357 | F | 90.9 | Very high | 86.3 | Confident | 109 Ų | 109 | 83.1 Ų | 83.1 | 48% | 0.478 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18.4 | 174.5 | -67.2 | -80.9 | 0 | 0 | 0 | 114.3 | Y284 D308 L355 | Y284-F357 AromaticContact CD2-CD1 3.89Å; Y284-F357 HydrophobicContact CD2-CD1 3.89Å; Y284-F357 HydrophobicContact CD2-CE1 4.23Å; D308-F357 HydrophobicContact CB-CE2 4.04Å; D308-F357 HydrophobicContact CB-CZ 4.14Å; L355-F357 HydrophobicContact CB-CE2 4.32Å; L355-F357 HydrophobicContact CD2-CE1 4.21Å; L355-F357 HydrophobicContact CD2-CZ 4.08Å; L355-F357 VanDerWaalsContact O-CD2 3.31Å; L355-F357 WeakPolarHBondContact O-CD2 3Å; L355-F357 PolarHBondContact O-N 3.43Å; L355-F357 VanDerWaalsContact O-N 3.09Å |
| 358 | A | 90 | Very high | 87.4 | Confident | 77 Ų | 77 | 77.4 Ų | 77.4 | 64% | 0.636 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | N356 Q360 | N356-A358 PolarHBondContact O-N 2.83Å; N356-A358 WeakPolarHBondContact OD1-CA 3.43Å; N356-A358 PolarHBondContact OD1-N 2.96Å; A358-Q360 PolarHBondContact O-N 3.41Å |
| 359 | F | 89.1 | Confident | 88.2 | Confident | 21 Ų | 21 | 74.9 Ų | 74.9 | 9% | 0.092 | 37% | 0.366 | C | S | . | . | trans | -59.3 | 129.9 | -179 | 172.1 | -100.3 | 0 | 0 | 0 | 111.8 | L282 L285 I336 A337 I338 N356 T361 F366 | L282-F359 HydrophobicContact CD1-CE1 4.39Å; L285-F359 HydrophobicContact CD1-CD1 3.7Å; L285-F359 HydrophobicContact CD1-CE1 4.27Å; L285-F359 HydrophobicContact CD2-CB 4.09Å; L285-F359 HydrophobicContact CD2-CD1 4.28Å; I336-F359 HydrophobicContact CG2-CE2 3.83Å; I336-F359 HydrophobicContact CG2-CZ 4.18Å; I336-F359 WeakPolarHBondContact O-CE2 3.02Å; A337-F359 WeakPolarHBondContact O-CD2 3.48Å; I338-F359 HydrophobicContact CG1-CD2 4.5Å; I338-F359 HydrophobicContact CG1-CE2 4.34Å; I338-F359 HydrophobicContact CG1-CZ 4.46Å; N356-F359 HydrophobicContact CB-CB 4.25Å; N356-F359 WeakPolarHBondContact O-CB 3.34Å; N356-F359 PolarHBondContact O-N 2.86Å; N356-F359 PolarHBondContact OD1-N 3.29Å; F359-T361 HydrophobicContact CE1-CG2 3.88Å; F359-T361 HydrophobicContact CZ-CG2 4.3Å; F359-F366 HydrophobicContact CE1-CE1 4.14Å; F359-F366 AromaticContact CE1-CZ 3.88Å; F359-F366 HydrophobicContact CE1-CZ 3.88Å; F359-F366 HydrophobicContact CZ-CE1 4.25Å; F359-F366 HydrophobicContact CZ-CE2 4.31Å; F359-F366 AromaticContact CZ-CZ 3.75Å; F359-F366 HydrophobicContact CZ-CZ 3.75Å | ||
| 360 | Q | 85.7 | Confident | 88.6 | Confident | 180 Ų | 180 | 70.2 Ų | 70.2 | 84% | 0.841 | 33% | 0.334 | S | S | * | . | trans | -124.7 | 134.3 | 177.7 | -66.3 | -175.2 | 4.3 | 0 | 0 | 110.6 | A358 | A358-Q360 PolarHBondContact O-N 3.41Š| ||
| 361 | T | 85.8 | Confident | 88.7 | Confident | 51 Ų | 51 | 69.5 Ų | 69.5 | 31% | 0.313 | 33% | 0.328 | S | S | . | . | trans | -130.5 | 140 | 174.2 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | C289 F359 R363 F366 | C289-T361 HydrophobicContact CB-CG2 4.17Å; C289-T361 VanDerWaalsContact SG-CG2 3.52Å; F359-T361 HydrophobicContact CE1-CG2 3.88Å; F359-T361 HydrophobicContact CZ-CG2 4.3Å; T361-R363 VanDerWaalsContact CG2-O 3.28Å; T361-R363 WeakPolarHBondContact CG2-O 3.21Å; T361-R363 PolarHBondContact O-N 2.79Å; T361-R363 PolarHBondContact OG1-N 3.35Å; T361-R363 PolarHBondContact OG1-O 3.45Å; T361-F366 HydrophobicContact CG2-CD1 4.2Å; T361-F366 HydrophobicContact CG2-CE1 4Å | ||
| 362 | K | 85.4 | Confident | 87.8 | Confident | 221 Ų | 221 | 70.5 Ų | 70.5 | 96% | 0.961 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -71.6 | -18 | 173.6 | -63.9 | -178 | -179.2 | 178.7 | 0 | 112.4 | ||
| 363 | R | 86.2 | Confident | 86.6 | Confident | 151 Ų | 151 | 70.8 Ų | 70.8 | 57% | 0.57 | 33% | 0.334 | S | S | * | . | trans | -116.9 | 124.5 | -174 | -64.9 | -176.9 | 178 | -175.1 | -1.5 | 110.4 | T361 K365 F366 | T361-R363 VanDerWaalsContact CG2-O 3.28Å; T361-R363 WeakPolarHBondContact CG2-O 3.21Å; T361-R363 PolarHBondContact O-N 2.79Å; T361-R363 PolarHBondContact OG1-N 3.35Å; T361-R363 PolarHBondContact OG1-O 3.45Å; R363-K365 PolarHBondContact O-N 3.4Å; R363-F366 HydrophobicContact CB-CB 4.46Å | ||
| 364 | R | 86.9 | Confident | 85.3 | Confident | 195 Ų | 195 | 76.8 Ų | 76.8 | 74% | 0.736 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -62.1 | -28.9 | 175.3 | -167.4 | 177.8 | -178.3 | -162.5 | 0.5 | 113.2 | C289 I290 | C289-R364 CarbonylContact C-O 3.49Å; C289-R364 WeakPolarHBondContact CA-O 3.24Å; I290-R364 PolarHBondContact N-O 3.42Å |
| 365 | K | 90.5 | Very high | 83.9 | Confident | 108 Ų | 108 | 77.3 Ų | 77.3 | 47% | 0.47 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 125.9 | 172.4 | -174.8 | 166.8 | 176.6 | 165.5 | 0 | 109.7 | E279 I290 R363 | E279-K365 WeakPolarHBondContact OE1-CE 3.47Å; E279-K365 IonicContact OE1-NZ 2.8Å; E279-K365 PolarHBondContact OE1-NZ 3.37Å; E279-K365 WeakPolarHBondContact OE2-CE 3.37Å; E279-K365 IonicContact OE2-NZ 3.72Å; E279-K365 PolarHBondContact OE2-NZ 3.16Å; I290-K365 HydrophobicContact CB-CB 4.44Å; I290-K365 HydrophobicContact CB-CG 4.24Å; I290-K365 HydrophobicContact CG2-CD 4.42Å; I290-K365 HydrophobicContact CG2-CG 4.3Å; I290-K365 VanDerWaalsContact O-CA 3.29Å; I290-K365 WeakPolarHBondContact O-CA 3.28Å; R363-K365 PolarHBondContact O-N 3.4Å |
| 366 | F | 91.3 | Very high | 82.5 | Confident | 26 Ų | 26 | 80.3 Ų | 80.3 | 11% | 0.114 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 159.4 | -179 | 64.4 | -84.9 | 0 | 0 | 0 | 111.1 | L282 C289 I290 A291 T292 I336 I338 F359 T361 R363 I368 | L282-F366 HydrophobicContact CD1-CE1 4.44Å; L282-F366 HydrophobicContact CD1-CZ 4.06Å; C289-F366 HydrophobicContact CB-CE1 4.12Å; I290-F366 PolarHBondContact O-N 3.08Å; A291-F366 CarbonylContact C-O 3.59Å; A291-F366 WeakPolarHBondContact CA-O 3.12Å; A291-F366 HydrophobicContact CB-CE1 4.27Å; A291-F366 HydrophobicContact CB-CE2 3.92Å; A291-F366 HydrophobicContact CB-CZ 3.76Å; T292-F366 PolarHBondContact N-O 3.21Å; I336-F366 HydrophobicContact CG2-CE2 4.37Å; I338-F366 HydrophobicContact CD1-CE2 4.4Å; I338-F366 HydrophobicContact CD1-CZ 4.42Å; F359-F366 HydrophobicContact CE1-CE1 4.14Å; F359-F366 AromaticContact CE1-CZ 3.88Å; F359-F366 HydrophobicContact CE1-CZ 3.88Å; F359-F366 HydrophobicContact CZ-CE1 4.25Å; F359-F366 HydrophobicContact CZ-CE2 4.31Å; F359-F366 AromaticContact CZ-CZ 3.75Å; F359-F366 HydrophobicContact CZ-CZ 3.75Å; T361-F366 HydrophobicContact CG2-CD1 4.2Å; T361-F366 HydrophobicContact CG2-CE1 4Å; R363-F366 HydrophobicContact CB-CB 4.46Å; F366-I368 HydrophobicContact CD2-CG1 4.33Å; F366-I368 HydrophobicContact CE2-CD1 4.35Å; F366-I368 HydrophobicContact CE2-CG1 3.99Å |
| 367 | K | 89.3 | Confident | 80.9 | Confident | 122 Ų | 122 | 81.9 Ų | 81.9 | 53% | 0.53 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.7 | 179.3 | -179.1 | 171.1 | -176.3 | 172 | 0 | 109.5 | T292 | T292-K367 HydrophobicContact CG2-CD 4.45Å; T292-K367 HydrophobicContact CG2-CG 4.27Å; T292-K367 WeakPolarHBondContact O-CA 2.95Å |
| 368 | I | 90.4 | Very high | 79.6 | Confident | 2 Ų | 2 | 82.8 Ų | 82.8 | 1% | 0.01 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 127.3 | 172.3 | -59.4 | -168.2 | 0 | 0 | 0 | 107.8 | A291 T292 V293 Q297 L333 I336 I338 F366 S370 | A291-I368 HydrophobicContact CB-CD1 4.46Å; T292-I368 PolarHBondContact O-N 3.14Å; V293-I368 HydrophobicContact CG1-CB 4.09Å; V293-I368 HydrophobicContact CG1-CD1 3.45Å; V293-I368 VanDerWaalsContact CG1-CD1 3.45Å; V293-I368 HydrophobicContact CG1-CG1 3.81Å; Q297-I368 VanDerWaalsContact NE2-CG2 3.29Å; L333-I368 HydrophobicContact CD2-CD1 3.54Å; L333-I368 HydrophobicContact CD2-CG2 4.29Å; I336-I368 HydrophobicContact CD1-CB 4.14Å; I336-I368 HydrophobicContact CD1-CD1 4.48Å; I336-I368 HydrophobicContact CD1-CG1 3.97Å; I336-I368 HydrophobicContact CD1-CG2 3.8Å; I338-I368 HydrophobicContact CD1-CD1 3.34Å; F366-I368 HydrophobicContact CD2-CG1 4.33Å; F366-I368 HydrophobicContact CE2-CD1 4.35Å; F366-I368 HydrophobicContact CE2-CG1 3.99Å; I368-S370 PolarHBondContact O-N 3.14Å |
| 369 | P | 84.5 | Confident | 78 | Confident | 38 Ų | 38 | 82.4 Ų | 82.4 | 25% | 0.247 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 128.1 | 176.4 | -21.1 | 33 | 0 | 0 | 0 | 110.6 | Q297 R374 | Q297-P369 PolarHBondContact NE2-O 2.74Å; P369-R374 HydrophobicContact CB-CG 4.37Å; P369-R374 VanDerWaalsContact CB-NE 3.26Å; P369-R374 VanDerWaalsContact CG-NH2 3.34Å |
| 370 | S | 81.8 | Confident | 76.3 | Confident | 9 Ų | 9 | 82.1 Ų | 82.1 | 6% | 0.063 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 128.5 | 173.8 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | N294 I368 V372 I373 R374 | N294-S370 PolarHBondContact ND2-OG 3.33Å; I368-S370 PolarHBondContact O-N 3.14Å; S370-V372 VanDerWaalsContact C-N 3.28Å; S370-V372 PolarHBondContact O-N 3.46Å; S370-I373 PolarHBondContact O-N 3.48Å; S370-R374 WeakPolarHBondContact O-CB 3.41Å; S370-R374 PolarHBondContact O-N 3.33Å |
| 371 | P | 76.4 | Confident | 74.8 | Confident | 18 Ų | 18 | 77.2 Ų | 77.2 | 12% | 0.117 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.6 | -36.7 | 178.4 | -20.8 | 29.6 | 0 | 0 | 0 | 113 | K328 N329 R374 A375 | K328-P371 HydrophobicContact CB-CB 3.76Å; K328-P371 HydrophobicContact CB-CG 4.11Å; K328-P371 WeakPolarHBondContact O-CG 3.33Å; N329-P371 WeakPolarHBondContact OD1-CD 3.36Å; P371-R374 PolarHBondContact O-N 3.08Å; P371-A375 VanDerWaalsContact O-CB 3.28Å; P371-A375 WeakPolarHBondContact O-CB 3.39Å; P371-A375 PolarHBondContact O-N 2.84Å |
| 372 | V | 70.7 | Confident | 73.3 | Confident | 38 Ų | 38 | 81.3 Ų | 81.3 | 23% | 0.23 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.3 | -46.3 | 178.7 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | S370 R374 A375 Q376 | S370-V372 VanDerWaalsContact C-N 3.28Å; S370-V372 PolarHBondContact O-N 3.46Å; V372-R374 VanDerWaalsContact C-N 3.33Å; V372-R374 PolarHBondContact O-N 2.82Å; V372-A375 PolarHBondContact O-N 2.87Å; V372-Q376 WeakPolarHBondContact O-CG 3.36Å; V372-Q376 PolarHBondContact O-N 3.32Å |
| 373 | I | 68.1 | Low | 71.7 | Confident | 44 Ų | 44 | 71.8 Ų | 71.8 | 23% | 0.226 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 177.3 | -58.6 | 177.8 | 0 | 0 | 0 | 110.2 | S370 Q376 E377 | S370-I373 PolarHBondContact O-N 3.48Å; I373-Q376 PolarHBondContact O-N 2.98Å; I373-E377 HydrophobicContact CG2-CG 4.49Å; I373-E377 WeakPolarHBondContact O-CB 3.13Å; I373-E377 VanDerWaalsContact O-CG 3.28Å; I373-E377 WeakPolarHBondContact O-CG 3.09Å; I373-E377 PolarHBondContact O-N 3.4Å |
| 374 | R | 68.1 | Low | 70.1 | Confident | 126 Ų | 126 | 67 Ų | 67 | 48% | 0.475 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 174.9 | -89.1 | -175.2 | 168.9 | 175.6 | -1.1 | 112.6 | P369 S370 P371 V372 E377 K378 | P369-R374 HydrophobicContact CB-CG 4.37Å; P369-R374 VanDerWaalsContact CB-NE 3.26Å; P369-R374 VanDerWaalsContact CG-NH2 3.34Å; S370-R374 WeakPolarHBondContact O-CB 3.41Å; S370-R374 PolarHBondContact O-N 3.33Å; P371-R374 PolarHBondContact O-N 3.08Å; V372-R374 VanDerWaalsContact C-N 3.33Å; V372-R374 PolarHBondContact O-N 2.82Å; R374-E377 WeakPolarHBondContact O-CB 3.18Å; R374-E377 PolarHBondContact O-N 3.32Å; R374-K378 WeakPolarHBondContact O-CB 3.35Å; R374-K378 PolarHBondContact O-N 2.83Å |
| 375 | A | 65 | Low | 68.4 | Low | 49 Ų | 49 | 64 Ų | 64 | 41% | 0.405 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.8 | -41 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | P371 V372 K378 A379 | P371-A375 VanDerWaalsContact O-CB 3.28Å; P371-A375 WeakPolarHBondContact O-CB 3.39Å; P371-A375 PolarHBondContact O-N 2.84Å; V372-A375 PolarHBondContact O-N 2.87Å; A375-K378 PolarHBondContact O-N 3.36Å; A375-A379 WeakPolarHBondContact O-CB 3.29Å; A375-A379 PolarHBondContact O-N 2.91Å |
| 376 | Q | 63.3 | Low | 67 | Low | 81 Ų | 81 | 61.9 Ų | 61.9 | 38% | 0.379 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 172.2 | -72.2 | 177.1 | -15.2 | 0 | 0 | 112.1 | V372 I373 A379 A380 | V372-Q376 WeakPolarHBondContact O-CG 3.36Å; V372-Q376 PolarHBondContact O-N 3.32Å; I373-Q376 PolarHBondContact O-N 2.98Å; Q376-A379 PolarHBondContact O-N 3.02Å; Q376-A380 VanDerWaalsContact O-CB 3.23Å; Q376-A380 WeakPolarHBondContact O-CB 3.43Å; Q376-A380 PolarHBondContact O-N 3.3Å |
| 377 | E | 60.5 | Low | 65.7 | Low | 53 Ų | 53 | 62.1 Ų | 62.1 | 25% | 0.248 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 172.5 | -80.8 | 176 | 166.5 | 0 | 0 | 111.8 | R103 K147 I373 R374 A380 N381 | R103-E377 IonicContact NH2-OE1 3.72Å; K147-E377 WeakPolarHBondContact CE-OE1 3.09Å; K147-E377 VanDerWaalsContact NZ-CD 3.28Å; K147-E377 IonicContact NZ-OE1 3.78Å; K147-E377 PolarHBondContact NZ-OE1 2.77Å; I373-E377 HydrophobicContact CG2-CG 4.49Å; I373-E377 WeakPolarHBondContact O-CB 3.13Å; I373-E377 VanDerWaalsContact O-CG 3.28Å; I373-E377 WeakPolarHBondContact O-CG 3.09Å; I373-E377 PolarHBondContact O-N 3.4Å; R374-E377 WeakPolarHBondContact O-CB 3.18Å; R374-E377 PolarHBondContact O-N 3.32Å; E377-A380 CarbonylContact O-C 3.35Å; E377-A380 PolarHBondContact O-N 3.34Å; E377-N381 WeakPolarHBondContact O-CB 3.4Å; E377-N381 PolarHBondContact O-N 3.23Å; E377-N381 PolarHBondContact O-ND2 2.8Å |
| 378 | K | 62.4 | Low | 64.7 | Low | 129 Ų | 129 | 57.3 Ų | 57.3 | 56% | 0.561 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65.3 | -45 | 174.4 | -89.4 | -172.6 | 174.1 | -176.6 | 0 | 110.8 | R374 A375 A380 N381 Q382 | R374-K378 WeakPolarHBondContact O-CB 3.35Å; R374-K378 PolarHBondContact O-N 2.83Å; A375-K378 PolarHBondContact O-N 3.36Å; K378-A380 PolarHBondContact O-N 3.35Å; K378-N381 CarbonylContact O-C 3.55Å; K378-N381 PolarHBondContact O-N 2.9Å; K378-N381 VanDerWaalsContact O-N 3.1Å; K378-Q382 HydrophobicContact CB-CG 4.5Å; K378-Q382 WeakPolarHBondContact O-CA 3.38Å; K378-Q382 WeakPolarHBondContact O-CB 3.15Å; K378-Q382 WeakPolarHBondContact O-CG 3.48Å; K378-Q382 PolarHBondContact O-N 2.78Å |
| 379 | A | 56.9 | Low | 63.8 | Low | 69 Ų | 69 | 60.6 Ų | 60.6 | 57% | 0.57 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.2 | -32.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A375 Q376 | A375-A379 WeakPolarHBondContact O-CB 3.29Å; A375-A379 PolarHBondContact O-N 2.91Å; Q376-A379 PolarHBondContact O-N 3.02Å |
| 380 | A | 52.6 | Low | 63.5 | Low | 15 Ų | 15 | 61.3 Ų | 61.3 | 12% | 0.124 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -82 | -21 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | E92 I143 Y144 Q376 E377 K378 | E92-A380 VanDerWaalsContact OE1-O 3.06Å; I143-A380 HydrophobicContact CG2-CB 4.49Å; Y144-A380 HydrophobicContact CE1-CB 4.24Å; Y144-A380 PolarHBondContact OH-O 2.93Å; Q376-A380 VanDerWaalsContact O-CB 3.23Å; Q376-A380 WeakPolarHBondContact O-CB 3.43Å; Q376-A380 PolarHBondContact O-N 3.3Å; E377-A380 CarbonylContact O-C 3.35Å; E377-A380 PolarHBondContact O-N 3.34Å; K378-A380 PolarHBondContact O-N 3.35Å |
| 381 | N | 56 | Low | 63.5 | Low | 77 Ų | 77 | 61.2 Ų | 61.2 | 41% | 0.412 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -104.1 | -24 | -178.8 | -73.7 | -24.3 | 0 | 0 | 0 | 113.6 | Y144 E377 K378 G383 | Y144-N381 PolarHBondContact OH-OD1 3.05Å; E377-N381 WeakPolarHBondContact O-CB 3.4Å; E377-N381 PolarHBondContact O-N 3.23Å; E377-N381 PolarHBondContact O-ND2 2.8Å; K378-N381 CarbonylContact O-C 3.55Å; K378-N381 PolarHBondContact O-N 2.9Å; K378-N381 VanDerWaalsContact O-N 3.1Å; N381-G383 PolarHBondContact O-N 3.3Å |
| 382 | Q | 53.8 | Low | 63.9 | Low | 137 Ų | 137 | 66.4 Ų | 66.4 | 64% | 0.64 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -93.9 | 50.2 | 172.9 | -63.8 | -177.4 | -23.3 | 0 | 0 | 107.6 | K378 | K378-Q382 HydrophobicContact CB-CG 4.5Å; K378-Q382 WeakPolarHBondContact O-CA 3.38Å; K378-Q382 WeakPolarHBondContact O-CB 3.15Å; K378-Q382 WeakPolarHBondContact O-CG 3.48Å; K378-Q382 PolarHBondContact O-N 2.78Å |
| 383 | G | 51.7 | Low | 64.6 | Low | 21 Ų | 21 | 69.7 Ų | 69.7 | 22% | 0.216 | 39% | 0.389 | C | S | . | . | trans | -42.8 | 160.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | E92 N381 | E92-G383 VanDerWaalsContact OE2-CA 3.29Å; E92-G383 WeakPolarHBondContact OE2-CA 3.43Å; N381-G383 PolarHBondContact O-N 3.3Å | ||
| 384 | I | 51.9 | Low | 65.5 | Low | 50 Ų | 50 | 71.6 Ų | 71.6 | 26% | 0.256 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 112.4 | -78.9 | 170.8 | -55.6 | 161.8 | 0 | 0 | 0 | 112 | N388 | I384-N388 WeakPolarHBondContact CG2-ND2 3.47Å; I384-N388 WeakPolarHBondContact O-CB 3.3Å; I384-N388 PolarHBondContact O-N 3.13Å; I384-N388 PolarHBondContact O-ND2 3.24Å; I384-N388 VanDerWaalsContact O-ND2 3.1Å; I384-N388 PolarHBondContact O-OD1 3.24Å |
| 385 | D | 52.6 | Low | 66.6 | Low | 133 Ų | 133 | 67 Ų | 67 | 71% | 0.711 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -70.8 | -51.2 | -155.5 | -59.6 | -24.9 | 0 | 0 | 0 | 117.1 | S389 | D385-S389 PolarHBondContact O-N 3.48Å; D385-S389 VanDerWaalsContact O-N 3.14Å; D385-S389 PolarHBondContact O-OG 3.4Å; D385-S389 VanDerWaalsContact O-OG 3.14Å |
| 386 | G | 59.5 | Low | 67.9 | Low | 63 Ų | 63 | 68.1 Ų | 68.1 | 65% | 0.649 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -72.3 | -33.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S389 | G386-S389 PolarHBondContact O-OG 3.35Å |
| 387 | L | 64.4 | Low | 69.3 | Low | 31 Ų | 31 | 68.6 Ų | 68.6 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -75.6 | -39.8 | 178.4 | -153 | 87.3 | 0 | 0 | 0 | 110.7 | L136 K139 I143 L391 | L136-L387 HydrophobicContact CD1-CD2 3.45Å; L136-L387 VanDerWaalsContact CD1-CD2 3.45Å; K139-L387 HydrophobicContact CD-CD1 4.17Å; K139-L387 HydrophobicContact CD-CD2 4.45Å; K139-L387 HydrophobicContact CD-CG 3.97Å; K139-L387 HydrophobicContact CG-CD1 4.09Å; K139-L387 HydrophobicContact CG-CD2 4.47Å; K139-L387 HydrophobicContact CG-CG 4.27Å; K139-L387 PolarHBondContact NZ-O 3.17Å; K139-L387 VanDerWaalsContact NZ-O 3.08Å; I143-L387 HydrophobicContact CD1-CD1 3.47Å; I143-L387 VanDerWaalsContact CD1-CD1 3.47Å; L387-L391 WeakPolarHBondContact O-CB 3.07Å; L387-L391 PolarHBondContact O-N 3.41Å |
| 388 | N | 68.7 | Low | 70.8 | Confident | 21 Ų | 21 | 68.2 Ų | 68.2 | 11% | 0.112 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.9 | -45 | -178.4 | -72.6 | -10.7 | 0 | 0 | 0 | 112.3 | I384 S390 L391 E392 | I384-N388 WeakPolarHBondContact CG2-ND2 3.47Å; I384-N388 WeakPolarHBondContact O-CB 3.3Å; I384-N388 PolarHBondContact O-N 3.13Å; I384-N388 PolarHBondContact O-ND2 3.24Å; I384-N388 VanDerWaalsContact O-ND2 3.1Å; I384-N388 PolarHBondContact O-OD1 3.24Å; N388-S390 PolarHBondContact O-N 3.3Å; N388-L391 CarbonylContact O-C 3.5Å; N388-L391 WeakPolarHBondContact O-CA 3.45Å; N388-L391 WeakPolarHBondContact O-CB 3.15Å; N388-L391 PolarHBondContact O-N 3.38Å; N388-E392 WeakPolarHBondContact O-CB 3.28Å; N388-E392 WeakPolarHBondContact O-CG 2.99Å; N388-E392 PolarHBondContact O-N 2.99Å |
| 389 | S | 71.5 | Confident | 72.4 | Confident | 71 Ų | 71 | 62 Ų | 62 | 50% | 0.497 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.7 | -47.6 | 179.4 | 51.8 | 0 | 0 | 0 | 0 | 112.3 | D385 G386 L391 M393 | D385-S389 PolarHBondContact O-N 3.48Å; D385-S389 VanDerWaalsContact O-N 3.14Å; D385-S389 PolarHBondContact O-OG 3.4Å; D385-S389 VanDerWaalsContact O-OG 3.14Å; G386-S389 PolarHBondContact O-OG 3.35Å; S389-L391 VanDerWaalsContact C-N 3.3Å; S389-L391 PolarHBondContact O-N 3.44Å; S389-M393 PolarHBondContact O-N 3.34Å |
| 390 | S | 77.6 | Confident | 74.2 | Confident | 53 Ų | 53 | 59.7 Ų | 59.7 | 37% | 0.371 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.4 | -30.1 | 174.5 | 164.8 | 0 | 0 | 0 | 0 | 112.2 | K139 N388 D394 | K139-S390 PolarHBondContact NZ-OG 3.01Å; N388-S390 PolarHBondContact O-N 3.3Å; S390-D394 VanDerWaalsContact O-CG 3.3Å; S390-D394 PolarHBondContact O-N 3.47Å; S390-D394 VanDerWaalsContact O-N 3.07Å |
| 391 | L | 82.9 | Confident | 76.2 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 4% | 0.037 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71.1 | -42.8 | 176.9 | -172.7 | 76.1 | 0 | 0 | 0 | 111.5 | D135 L136 K139 L387 N388 S389 M393 D394 R395 | D135-L391 HydrophobicContact CB-CD1 4.31Å; L136-L391 HydrophobicContact CB-CD2 4.03Å; L136-L391 HydrophobicContact CD1-CD2 3.96Å; K139-L391 HydrophobicContact CD-CD1 4.01Å; L387-L391 WeakPolarHBondContact O-CB 3.07Å; L387-L391 PolarHBondContact O-N 3.41Å; N388-L391 CarbonylContact O-C 3.5Å; N388-L391 WeakPolarHBondContact O-CA 3.45Å; N388-L391 WeakPolarHBondContact O-CB 3.15Å; N388-L391 PolarHBondContact O-N 3.38Å; S389-L391 VanDerWaalsContact C-N 3.3Å; S389-L391 PolarHBondContact O-N 3.44Å; L391-M393 VanDerWaalsContact C-N 3.28Å; L391-M393 PolarHBondContact O-N 2.79Å; L391-D394 CarbonylContact O-C 3.58Å; L391-D394 WeakPolarHBondContact O-CB 3.31Å; L391-D394 PolarHBondContact O-N 3.26Å; L391-D394 VanDerWaalsContact O-N 3.12Å; L391-R395 HydrophobicContact CG-CG 4.47Å; L391-R395 WeakPolarHBondContact O-CB 3.37Å; L391-R395 VanDerWaalsContact O-CG 3.26Å; L391-R395 WeakPolarHBondContact O-CG 3.12Å; L391-R395 PolarHBondContact O-N 2.9Å |
| 392 | E | 83.4 | Confident | 78 | Confident | 126 Ų | 126 | 59.5 Ų | 59.5 | 59% | 0.589 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59.2 | -41.9 | 175.1 | -75.4 | 178.2 | 177.6 | 0 | 0 | 110.9 | N388 R395 K396 | N388-E392 WeakPolarHBondContact O-CB 3.28Å; N388-E392 WeakPolarHBondContact O-CG 2.99Å; N388-E392 PolarHBondContact O-N 2.99Å; E392-R395 PolarHBondContact O-N 2.99Å; E392-K396 WeakPolarHBondContact O-CB 3.45Å; E392-K396 PolarHBondContact O-N 3.29Å |
| 393 | M | 86.1 | Confident | 80 | Confident | 108 Ų | 108 | 53 Ų | 53 | 53% | 0.532 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 173.7 | -161.3 | -177.2 | 86.6 | 0 | 0 | 111.6 | S389 L391 R395 K396 H397 | S389-M393 PolarHBondContact O-N 3.34Å; L391-M393 VanDerWaalsContact C-N 3.28Å; L391-M393 PolarHBondContact O-N 2.79Å; M393-R395 VanDerWaalsContact C-N 3.35Å; M393-R395 PolarHBondContact O-N 3.18Å; M393-K396 PolarHBondContact O-N 3.19Å; M393-H397 PolarHBondContact O-N 2.7Å; M393-H397 VanDerWaalsContact O-N 3.11Å; M393-H397 PolarHBondContact O-ND1 2.82Å |
| 394 | D | 87.4 | Confident | 82.1 | Confident | 83 Ų | 83 | 53.4 Ų | 53.4 | 44% | 0.444 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 175.5 | -73.2 | -23.2 | 0 | 0 | 0 | 111.8 | S390 L391 H397 F398 | S390-D394 VanDerWaalsContact O-CG 3.3Å; S390-D394 PolarHBondContact O-N 3.47Å; S390-D394 VanDerWaalsContact O-N 3.07Å; L391-D394 CarbonylContact O-C 3.58Å; L391-D394 WeakPolarHBondContact O-CB 3.31Å; L391-D394 PolarHBondContact O-N 3.26Å; L391-D394 VanDerWaalsContact O-N 3.12Å; D394-H397 PolarHBondContact O-N 2.94Å; D394-F398 VanDerWaalsContact O-CB 3.26Å; D394-F398 WeakPolarHBondContact O-CB 3.43Å; D394-F398 PolarHBondContact O-N 2.74Å |
| 395 | R | 91.1 | Very high | 84.2 | Confident | 30 Ų | 30 | 59.9 Ų | 59.9 | 11% | 0.113 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.6 | -42 | 177.2 | -72 | 177.4 | 177.7 | -169.1 | -3.1 | 111.5 | E133 D135 L391 E392 M393 F398 L399 F430 F436 | E133-R395 IonicContact OE1-NH1 2.73Å; E133-R395 IonicContact OE1-NH2 3.92Å; E133-R395 IonicContact OE2-CZ 2.95Å; E133-R395 VanDerWaalsContact OE2-CZ 3.26Å; E133-R395 IonicContact OE2-NH1 2.62Å; E133-R395 PolarHBondContact OE2-NH1 3.11Å; E133-R395 IonicContact OE2-NH2 3.8Å; E133-R395 PolarHBondContact OE2-NH2 3.34Å; D135-R395 IonicContact OD1-CZ 3.6Å; D135-R395 IonicContact OD1-NE 3.52Å; D135-R395 IonicContact OD1-NH2 3.98Å; D135-R395 PolarHBondContact OD1-NH2 3.34Å; D135-R395 WeakPolarHBondContact OD2-CG 3.5Å; D135-R395 IonicContact OD2-CZ 3.46Å; D135-R395 IonicContact OD2-NE 3.98Å; D135-R395 PolarHBondContact OD2-NE 2.82Å; D135-R395 IonicContact OD2-NH2 3.01Å; D135-R395 PolarHBondContact OD2-NH2 3Å; L391-R395 HydrophobicContact CG-CG 4.47Å; L391-R395 WeakPolarHBondContact O-CB 3.37Å; L391-R395 VanDerWaalsContact O-CG 3.26Å; L391-R395 WeakPolarHBondContact O-CG 3.12Å; L391-R395 PolarHBondContact O-N 2.9Å; E392-R395 PolarHBondContact O-N 2.99Å; M393-R395 VanDerWaalsContact C-N 3.35Å; M393-R395 PolarHBondContact O-N 3.18Å; R395-F398 PolarHBondContact O-N 3.41Å; R395-L399 WeakPolarHBondContact O-CG 3.19Å; R395-L399 PolarHBondContact O-N 3.03Å; R395-F430 HydrophobicContact CB-CE1 3.97Å; R395-F430 HydrophobicContact CB-CE2 4.17Å; R395-F430 HydrophobicContact CB-CZ 3.63Å; R395-F430 HydrophobicContact CG-CD1 3.97Å; R395-F430 HydrophobicContact CG-CD2 4.36Å; R395-F430 HydrophobicContact CG-CE1 3.62Å; R395-F430 HydrophobicContact CG-CE2 4.04Å; R395-F430 HydrophobicContact CG-CG 4.34Å; R395-F430 HydrophobicContact CG-CZ 3.67Å; R395-F436 HydrophobicContact CB-CE1 3.94Å; R395-F436 HydrophobicContact CB-CZ 4.31Å |
| 396 | K | 92 | Very high | 86.3 | Confident | 73 Ų | 73 | 54.3 Ų | 54.3 | 32% | 0.317 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.2 | -55.2 | 175.4 | -177.4 | -178.9 | 178.6 | 175.9 | 0 | 110.8 | E392 M393 F398 L399 E400 F436 | E392-K396 WeakPolarHBondContact O-CB 3.45Å; E392-K396 PolarHBondContact O-N 3.29Å; M393-K396 PolarHBondContact O-N 3.19Å; K396-F398 VanDerWaalsContact C-N 3.26Å; K396-F398 PolarHBondContact O-N 3.17Å; K396-L399 PolarHBondContact O-N 3.12Å; K396-E400 WeakPolarHBondContact CE-OE1 3.42Å; K396-E400 WeakPolarHBondContact O-CG 3.34Å; K396-E400 PolarHBondContact O-N 3.3Å; K396-F436 HydrophobicContact CB-CE2 4.41Å; K396-F436 HydrophobicContact CB-CZ 3.97Å |
| 397 | H | 92.5 | Very high | 88 | Confident | 90 Ų | 90 | 51.3 Ų | 51.3 | 42% | 0.417 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.1 | -37.1 | 179.1 | -68 | 102.8 | 0 | 0 | 0 | 112.2 | M393 D394 E400 C401 | M393-H397 PolarHBondContact O-N 2.7Å; M393-H397 VanDerWaalsContact O-N 3.11Å; M393-H397 PolarHBondContact O-ND1 2.82Å; D394-H397 PolarHBondContact O-N 2.94Å; H397-E400 PolarHBondContact O-N 2.88Å; H397-C401 PolarHBondContact O-N 3Å; H397-C401 PolarHBondContact O-SG 3.43Å; H397-C401 VanDerWaalsContact O-SG 3.41Å |
| 398 | F | 92.8 | Very high | 89.5 | Confident | 45 Ų | 45 | 55.5 Ų | 55.5 | 20% | 0.197 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.8 | -44.6 | 177 | -178 | -109.1 | 0 | 0 | 0 | 112.5 | D394 R395 K396 C401 I402 A426 R429 F430 | D394-F398 VanDerWaalsContact O-CB 3.26Å; D394-F398 WeakPolarHBondContact O-CB 3.43Å; D394-F398 PolarHBondContact O-N 2.74Å; R395-F398 PolarHBondContact O-N 3.41Å; K396-F398 VanDerWaalsContact C-N 3.26Å; K396-F398 PolarHBondContact O-N 3.17Å; F398-C401 WeakPolarHBondContact O-CB 3.43Å; F398-C401 PolarHBondContact O-N 2.84Å; F398-I402 HydrophobicContact CD1-CD1 3.77Å; F398-I402 HydrophobicContact CE1-CD1 3.3Å; F398-I402 HydrophobicContact CE1-CG1 4.32Å; F398-I402 HydrophobicContact CE2-CD1 4.31Å; F398-I402 HydrophobicContact CG-CD1 4.49Å; F398-I402 HydrophobicContact CZ-CD1 3.6Å; F398-I402 HydrophobicContact CZ-CG1 4.29Å; F398-I402 WeakPolarHBondContact O-CG1 3.38Å; F398-I402 PolarHBondContact O-N 2.87Å; F398-A426 HydrophobicContact CE1-CB 4.47Å; F398-R429 HydrophobicContact CE1-CB 4.21Å; F398-R429 HydrophobicContact CE1-CG 4.19Å; F398-R429 VanDerWaalsContact CE2-CZ 3.47Å; F398-R429 HydrophobicContact CZ-CB 4.48Å; F398-R429 VanDerWaalsContact CZ-CD 3.49Å; F398-R429 HydrophobicContact CZ-CG 3.96Å; F398-F430 AromaticContact CD1-CE1 3.68Å; F398-F430 HydrophobicContact CD1-CE1 3.68Å; F398-F430 HydrophobicContact CD1-CZ 4.4Å; F398-F430 HydrophobicContact CE1-CE1 4.22Å |
| 399 | L | 94.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64 | -42.5 | 174.4 | -71.5 | 177.8 | 0 | 0 | 0 | 111.4 | R395 K396 C401 I402 V403 T422 A426 F430 P432 F436 V437 T440 | R395-L399 WeakPolarHBondContact O-CG 3.19Å; R395-L399 PolarHBondContact O-N 3.03Å; K396-L399 PolarHBondContact O-N 3.12Å; L399-C401 VanDerWaalsContact C-N 3.28Å; L399-C401 PolarHBondContact O-N 3.19Å; L399-I402 PolarHBondContact O-N 2.83Å; L399-I402 VanDerWaalsContact O-N 3.11Å; L399-V403 WeakPolarHBondContact O-CG2 3.47Å; L399-V403 PolarHBondContact O-N 3.07Å; L399-T422 HydrophobicContact CD2-CG2 3.98Å; L399-A426 HydrophobicContact CD2-CB 3.85Å; L399-F430 HydrophobicContact CD1-CZ 4.28Å; L399-F430 HydrophobicContact CD2-CZ 4.16Å; L399-F430 HydrophobicContact CG-CZ 4Å; L399-P432 HydrophobicContact CD1-CB 4.31Å; L399-P432 HydrophobicContact CD2-CB 4.22Å; L399-P432 HydrophobicContact CD2-CG 4.49Å; L399-F436 HydrophobicContact CD1-CD1 3.33Å; L399-F436 HydrophobicContact CD1-CE1 3.36Å; L399-F436 HydrophobicContact CD1-CG 4.14Å; L399-F436 HydrophobicContact CD1-CZ 4.18Å; L399-F436 HydrophobicContact CG-CE1 4.46Å; L399-V437 HydrophobicContact CD1-CG2 4.42Å; L399-T440 HydrophobicContact CB-CG2 3.87Å |
| 400 | E | 94.9 | Very high | 91.9 | Very high | 19 Ų | 19 | 62.4 Ų | 62.4 | 9% | 0.089 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.2 | -46.5 | 174.9 | -73.5 | -177.1 | 174.8 | 0 | 0 | 110.8 | K396 H397 I402 V403 V404 T440 L444 K447 | K396-E400 WeakPolarHBondContact CE-OE1 3.42Å; K396-E400 WeakPolarHBondContact O-CG 3.34Å; K396-E400 PolarHBondContact O-N 3.3Å; H397-E400 PolarHBondContact O-N 2.88Å; E400-I402 PolarHBondContact O-N 2.64Å; E400-V403 PolarHBondContact O-N 3.12Å; E400-V404 WeakPolarHBondContact O-CB 3.4Å; E400-V404 VanDerWaalsContact O-CG2 3.25Å; E400-V404 WeakPolarHBondContact O-CG2 3.28Å; E400-V404 PolarHBondContact O-N 3.37Å; E400-T440 HydrophobicContact CB-CG2 4.33Å; E400-T440 HydrophobicContact CG-CG2 3.58Å; E400-L444 HydrophobicContact CB-CD2 4.18Å; E400-L444 HydrophobicContact CG-CD2 4.14Å; E400-L444 HydrophobicContact CG-CG 4.27Å; E400-K447 IonicContact OE1-NZ 3.61Å; E400-K447 PolarHBondContact OE1-NZ 2.92Å; E400-K447 IonicContact OE2-NZ 3.63Å; E400-K447 PolarHBondContact OE2-NZ 2.87Å |
| 401 | C | 94.3 | Very high | 92.7 | Very high | 77 Ų | 77 | 65.2 Ų | 65.2 | 52% | 0.52 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 175.9 | -76.8 | 0 | 0 | 0 | 0 | 113.8 | H397 F398 L399 R405 | H397-C401 PolarHBondContact O-N 3Å; H397-C401 PolarHBondContact O-SG 3.43Å; H397-C401 VanDerWaalsContact O-SG 3.41Å; F398-C401 WeakPolarHBondContact O-CB 3.43Å; F398-C401 PolarHBondContact O-N 2.84Å; L399-C401 VanDerWaalsContact C-N 3.28Å; L399-C401 PolarHBondContact O-N 3.19Å; C401-R405 VanDerWaalsContact O-CB 3.27Å; C401-R405 WeakPolarHBondContact O-CB 3.42Å; C401-R405 PolarHBondContact O-N 2.95Å |
| 402 | I | 94.9 | Very high | 93.3 | Very high | 12 Ų | 12 | 68.2 Ų | 68.2 | 6% | 0.062 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.3 | -51.6 | 177 | -73.4 | 172.8 | 0 | 0 | 0 | 110 | F398 L399 E400 V404 R405 I406 T422 A425 A426 | F398-I402 HydrophobicContact CD1-CD1 3.77Å; F398-I402 HydrophobicContact CE1-CD1 3.3Å; F398-I402 HydrophobicContact CE1-CG1 4.32Å; F398-I402 HydrophobicContact CE2-CD1 4.31Å; F398-I402 HydrophobicContact CG-CD1 4.49Å; F398-I402 HydrophobicContact CZ-CD1 3.6Å; F398-I402 HydrophobicContact CZ-CG1 4.29Å; F398-I402 WeakPolarHBondContact O-CG1 3.38Å; F398-I402 PolarHBondContact O-N 2.87Å; L399-I402 PolarHBondContact O-N 2.83Å; L399-I402 VanDerWaalsContact O-N 3.11Å; E400-I402 PolarHBondContact O-N 2.64Å; I402-V404 PolarHBondContact O-N 3.22Å; I402-R405 WeakPolarHBondContact O-CB 3.15Å; I402-R405 PolarHBondContact O-N 3.01Å; I402-R405 VanDerWaalsContact O-N 3.13Å; I402-I406 HydrophobicContact CG2-CD1 3.61Å; I402-I406 HydrophobicContact CG2-CG1 4.37Å; I402-I406 WeakPolarHBondContact O-CG1 3.49Å; I402-I406 PolarHBondContact O-N 3.42Å; I402-T422 HydrophobicContact CG2-CG2 3.9Å; I402-A425 HydrophobicContact CD1-CB 4.26Å; I402-A425 HydrophobicContact CG2-CB 3.8Å; I402-A426 HydrophobicContact CD1-CB 3.96Å |
| 403 | V | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.1 | -47.3 | -177.7 | 173.7 | 0 | 0 | 0 | 0 | 110.2 | L399 E400 R405 I406 M407 L418 T422 I441 L444 L450 | L399-V403 WeakPolarHBondContact O-CG2 3.47Å; L399-V403 PolarHBondContact O-N 3.07Å; E400-V403 PolarHBondContact O-N 3.12Å; V403-R405 VanDerWaalsContact C-N 3.31Å; V403-R405 PolarHBondContact O-N 2.87Å; V403-I406 PolarHBondContact O-N 2.58Å; V403-M407 HydrophobicContact CG1-CG 4.32Å; V403-M407 WeakPolarHBondContact O-CB 3.46Å; V403-M407 WeakPolarHBondContact O-CG 3.31Å; V403-M407 PolarHBondContact O-N 3.41Å; V403-L418 HydrophobicContact CG1-CD1 4.37Å; V403-L418 HydrophobicContact CG1-CD2 4.3Å; V403-T422 HydrophobicContact CG2-CG2 3.79Å; V403-I441 HydrophobicContact CG1-CG1 4.31Å; V403-I441 HydrophobicContact CG2-CG1 4.42Å; V403-L444 HydrophobicContact CB-CD1 3.6Å; V403-L444 HydrophobicContact CG1-CD1 3.42Å; V403-L444 VanDerWaalsContact CG1-CD1 3.42Å; V403-L444 HydrophobicContact CG2-CD1 4.46Å; V403-L450 HydrophobicContact CG1-CD1 3.86Å |
| 404 | V | 96.2 | Very high | 94.3 | Very high | 30 Ų | 30 | 63.7 Ų | 63.7 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.9 | -40.7 | 176.6 | 169.3 | 0 | 0 | 0 | 0 | 111.5 | E400 I402 K408 L444 Y449 Y461 | E400-V404 WeakPolarHBondContact O-CB 3.4Å; E400-V404 VanDerWaalsContact O-CG2 3.25Å; E400-V404 WeakPolarHBondContact O-CG2 3.28Å; E400-V404 PolarHBondContact O-N 3.37Å; I402-V404 PolarHBondContact O-N 3.22Å; V404-K408 WeakPolarHBondContact O-CB 3.3Å; V404-K408 PolarHBondContact O-N 3.13Å; V404-L444 HydrophobicContact CG2-CD1 4.06Å; V404-L444 HydrophobicContact CG2-CD2 3.81Å; V404-Y449 HydrophobicContact CG2-CD1 4.16Å; V404-Y449 HydrophobicContact CG2-CG 4.26Å; V404-Y461 HydrophobicContact CG1-CE2 4.09Å |
| 405 | R | 95.4 | Very high | 94.7 | Very high | 185 Ų | 185 | 61.9 Ų | 61.9 | 70% | 0.698 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.8 | -46.5 | 178.5 | -174.8 | -175.3 | -58.9 | 179.6 | 0.3 | 112.3 | C401 I402 V403 A409 | C401-R405 VanDerWaalsContact O-CB 3.27Å; C401-R405 WeakPolarHBondContact O-CB 3.42Å; C401-R405 PolarHBondContact O-N 2.95Å; I402-R405 WeakPolarHBondContact O-CB 3.15Å; I402-R405 PolarHBondContact O-N 3.01Å; I402-R405 VanDerWaalsContact O-N 3.13Å; V403-R405 VanDerWaalsContact C-N 3.31Å; V403-R405 PolarHBondContact O-N 2.87Å; R405-A409 PolarHBondContact O-N 3.44Å |
| 406 | I | 96.2 | Very high | 94.9 | Very high | 16 Ų | 16 | 67 Ų | 67 | 8% | 0.082 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.7 | -50.9 | 178 | -67 | 166.7 | 0 | 0 | 0 | 109.6 | I402 V403 K408 A409 R410 M413 L418 E421 | I402-I406 HydrophobicContact CG2-CD1 3.61Å; I402-I406 HydrophobicContact CG2-CG1 4.37Å; I402-I406 WeakPolarHBondContact O-CG1 3.49Å; I402-I406 PolarHBondContact O-N 3.42Å; V403-I406 PolarHBondContact O-N 2.58Å; I406-K408 PolarHBondContact O-N 3.12Å; I406-A409 PolarHBondContact O-N 3.21Å; I406-R410 HydrophobicContact CG2-CG 4.43Å; I406-R410 WeakPolarHBondContact O-CB 3.21Å; I406-R410 WeakPolarHBondContact O-CG 3.4Å; I406-R410 PolarHBondContact O-N 2.72Å; I406-M413 HydrophobicContact CG2-CE 3.66Å; I406-M413 HydrophobicContact CG2-SD 3.87Å; I406-L418 HydrophobicContact CB-CD1 4.31Å; I406-L418 HydrophobicContact CG2-CD1 3.86Å; I406-E421 HydrophobicContact CD1-CB 4.1Å; I406-E421 HydrophobicContact CD1-CG 3.84Å; I406-E421 HydrophobicContact CG1-CG 4.31Å; I406-E421 HydrophobicContact CG2-CG 4.44Å |
| 407 | M | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.9 | -36.6 | -177.5 | -73.1 | -59.9 | -62.5 | 0 | 0 | 112.7 | V403 A409 R410 K411 M413 L418 L450 Y459 Y461 | V403-M407 HydrophobicContact CG1-CG 4.32Å; V403-M407 WeakPolarHBondContact O-CB 3.46Å; V403-M407 WeakPolarHBondContact O-CG 3.31Å; V403-M407 PolarHBondContact O-N 3.41Å; M407-A409 VanDerWaalsContact C-N 3.28Å; M407-A409 PolarHBondContact O-N 3.12Å; M407-R410 PolarHBondContact O-N 3.24Å; M407-K411 WeakPolarHBondContact O-CA 3.18Å; M407-K411 PolarHBondContact O-N 3.06Å; M407-M413 HydrophobicContact SD-CB 3.77Å; M407-L418 HydrophobicContact CG-CD1 3.94Å; M407-L418 HydrophobicContact CG-CD2 4.19Å; M407-L418 HydrophobicContact SD-CD1 3.95Å; M407-L418 HydrophobicContact SD-CD2 3.95Å; M407-L450 HydrophobicContact CB-CD2 3.59Å; M407-L450 HydrophobicContact CE-CD2 3.86Å; M407-L450 HydrophobicContact CG-CD1 4.39Å; M407-L450 HydrophobicContact CG-CD2 3.54Å; M407-L450 HydrophobicContact SD-CD2 4.47Å; M407-Y459 WeakPolarHBondContact CE-O 3.45Å; M407-Y461 HydrophobicContact CB-CD2 3.88Å; M407-Y461 HydrophobicContact CB-CG 4.38Å; M407-Y461 WeakPolarHBondContact O-CB 3.46Å |
| 408 | K | 95.7 | Very high | 95.2 | Very high | 119 Ų | 119 | 61.8 Ų | 61.8 | 52% | 0.517 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.1 | -37.1 | 174.5 | -176.3 | 169.6 | -175.5 | 169.5 | 0 | 112.7 | V404 I406 K411 Y461 | V404-K408 WeakPolarHBondContact O-CB 3.3Å; V404-K408 PolarHBondContact O-N 3.13Å; I406-K408 PolarHBondContact O-N 3.12Å; K408-K411 WeakPolarHBondContact O-CD 3.41Å; K408-K411 VanDerWaalsContact O-CE 3.26Å; K408-K411 WeakPolarHBondContact O-CE 3.43Å; K408-K411 PolarHBondContact O-NZ 3.39Å; K408-Y461 HydrophobicContact CB-CD1 4.24Å; K408-Y461 HydrophobicContact CB-CE1 3.7Å; K408-Y461 HydrophobicContact CB-CE2 4.21Å; K408-Y461 HydrophobicContact CD-CE1 4.25Å; K408-Y461 HydrophobicContact CG-CD1 4.42Å; K408-Y461 HydrophobicContact CG-CE1 3.68Å |
| 409 | A | 95.4 | Very high | 95.3 | Very high | 82 Ų | 82 | 60.3 Ų | 60.3 | 68% | 0.678 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -77 | -41.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R405 I406 M407 | R405-A409 PolarHBondContact O-N 3.44Å; I406-A409 PolarHBondContact O-N 3.21Å; M407-A409 VanDerWaalsContact C-N 3.28Å; M407-A409 PolarHBondContact O-N 3.12Å |
| 410 | R | 94.8 | Very high | 95.3 | Very high | 156 Ų | 156 | 65.5 Ų | 65.5 | 59% | 0.589 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -91 | -20.9 | -171.5 | -64 | -84.3 | -166.9 | -165.2 | 1.7 | 113.6 | I406 M407 V412 M413 | I406-R410 HydrophobicContact CG2-CG 4.43Å; I406-R410 WeakPolarHBondContact O-CB 3.21Å; I406-R410 WeakPolarHBondContact O-CG 3.4Å; I406-R410 PolarHBondContact O-N 2.72Å; M407-R410 PolarHBondContact O-N 3.24Å; R410-V412 PolarHBondContact O-N 2.58Å; R410-M413 HydrophobicContact CB-CE 3.74Å; R410-M413 HydrophobicContact CG-CE 3.38Å |
| 411 | K | 93.9 | Very high | 95.3 | Very high | 112 Ų | 112 | 67.9 Ų | 67.9 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 64.2 | -46.9 | -177 | -55.6 | -57 | -172.9 | -172.1 | 0 | 114.8 | M407 K408 A460 Y461 | M407-K411 WeakPolarHBondContact O-CA 3.18Å; M407-K411 PolarHBondContact O-N 3.06Å; K408-K411 WeakPolarHBondContact O-CD 3.41Å; K408-K411 VanDerWaalsContact O-CE 3.26Å; K408-K411 WeakPolarHBondContact O-CE 3.43Å; K408-K411 PolarHBondContact O-NZ 3.39Å; K411-A460 CarbonylContact O-C 3.57Å; K411-A460 WeakPolarHBondContact O-CA 3.49Å; K411-Y461 PolarHBondContact O-N 3.5Å |
| 412 | V | 95 | Very high | 95.4 | Very high | 70 Ų | 70 | 64.2 Ų | 64.2 | 42% | 0.424 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 134.3 | 177.5 | -177.9 | 0 | 0 | 0 | 0 | 109 | R410 T453 E458 Y459 A460 | R410-V412 PolarHBondContact O-N 2.58Å; V412-T453 HydrophobicContact CG1-CG2 4.5Å; V412-E458 HydrophobicContact CG1-CG 3.46Å; V412-E458 VanDerWaalsContact CG1-CG 3.46Å; V412-E458 VanDerWaalsContact CG1-OE2 3.32Å; V412-E458 WeakPolarHBondContact CG1-OE2 3.46Å; V412-Y459 VanDerWaalsContact CA-O 3.31Å; V412-Y459 WeakPolarHBondContact CA-O 3.43Å; V412-A460 HydrophobicContact CG2-CB 4.25Å |
| 413 | M | 95.1 | Very high | 95.4 | Very high | 18 Ų | 18 | 65.3 Ų | 65.3 | 9% | 0.089 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 141.5 | -179.5 | -170.5 | 175.9 | -81.1 | 0 | 0 | 112.3 | I406 M407 R410 L418 E421 Y459 | I406-M413 HydrophobicContact CG2-CE 3.66Å; I406-M413 HydrophobicContact CG2-SD 3.87Å; M407-M413 HydrophobicContact SD-CB 3.77Å; R410-M413 HydrophobicContact CB-CE 3.74Å; R410-M413 HydrophobicContact CG-CE 3.38Å; M413-L418 HydrophobicContact CG-CB 4.11Å; M413-L418 WeakPolarHBondContact SD-CA 3.27Å; M413-L418 HydrophobicContact SD-CB 3.66Å; M413-L418 HydrophobicContact SD-CD1 3.85Å; M413-L418 HydrophobicContact SD-CG 4.37Å; M413-L418 PolarHBondContact SD-N 3.28Å; M413-E421 WeakPolarHBondContact CE-OE2 3.43Å; M413-Y459 PolarHBondContact N-O 2.84Å; M413-Y459 PolarHBondContact O-N 3.24Å |
| 414 | K | 96.2 | Very high | 95.2 | Very high | 121 Ų | 121 | 68.4 Ų | 68.4 | 53% | 0.526 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 145.8 | 172.3 | -64.9 | -173.8 | 178.6 | -174.6 | 0 | 111.9 | F416 S417 L418 E457 | K414-F416 PolarHBondContact O-N 3.26Å; K414-S417 PolarHBondContact O-N 3.4Å; K414-L418 PolarHBondContact O-N 3.19Å; K414-E457 CarbonylContact C-O 3.47Å; K414-E457 VanDerWaalsContact CA-O 3.29Å; K414-E457 WeakPolarHBondContact CA-O 3.25Å |
| 415 | H | 95.1 | Very high | 95 | Very high | 44 Ų | 44 | 69.1 Ų | 69.1 | 20% | 0.204 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -52.4 | -50.1 | -178 | 178.7 | 87.9 | 0 | 0 | 0 | 112.4 | S417 L418 V419 E457 Y459 | H415-S417 PolarHBondContact O-N 3.11Å; H415-L418 PolarHBondContact O-N 3.26Å; H415-V419 WeakPolarHBondContact O-CG2 3.46Å; H415-V419 PolarHBondContact O-N 3.04Å; H415-E457 PolarHBondContact N-O 3.34Å; H415-Y459 HydrophobicContact CB-CE2 3.74Å; H415-Y459 AromaticContact CG-CE2 3.94Å; H415-Y459 AromaticContact ND1-CE2 3.37Å; H415-Y459 WeakPolarHBondContact ND1-CE2 3.31Å; H415-Y459 AromaticContact ND1-CZ 3.55Å; H415-Y459 PolarHBondContact ND1-OH 3.37Å |
| 416 | F | 94.6 | Very high | 94.9 | Very high | 137 Ų | 137 | 60.3 Ų | 60.3 | 60% | 0.601 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60.3 | -45.3 | -178.4 | -176.7 | -100.7 | 0 | 0 | 0 | 112.4 | K414 V419 Q420 | K414-F416 PolarHBondContact O-N 3.26Å; F416-V419 PolarHBondContact O-N 2.81Å; F416-Q420 HydrophobicContact CD1-CG 4.45Å; F416-Q420 HydrophobicContact CE1-CG 4.14Å; F416-Q420 VanDerWaalsContact CE1-OE1 3.28Å; F416-Q420 HydrophobicContact CZ-CG 4.2Å; F416-Q420 WeakPolarHBondContact O-CG 3.35Å; F416-Q420 PolarHBondContact O-N 3.2Å |
| 417 | S | 95.3 | Very high | 94.5 | Very high | 55 Ų | 55 | 67.1 Ų | 67.1 | 39% | 0.385 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 177.1 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | K414 H415 Q420 E421 | K414-S417 PolarHBondContact O-N 3.4Å; H415-S417 PolarHBondContact O-N 3.11Å; S417-Q420 PolarHBondContact O-N 2.98Å; S417-E421 WeakPolarHBondContact O-CB 3.5Å; S417-E421 PolarHBondContact O-N 3.22Å |
| 418 | L | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 178 | -179.3 | 59.8 | 0 | 0 | 0 | 111.8 | V403 I406 M407 M413 K414 H415 T422 I441 Y459 | V403-L418 HydrophobicContact CG1-CD1 4.37Å; V403-L418 HydrophobicContact CG1-CD2 4.3Å; I406-L418 HydrophobicContact CB-CD1 4.31Å; I406-L418 HydrophobicContact CG2-CD1 3.86Å; M407-L418 HydrophobicContact CG-CD1 3.94Å; M407-L418 HydrophobicContact CG-CD2 4.19Å; M407-L418 HydrophobicContact SD-CD1 3.95Å; M407-L418 HydrophobicContact SD-CD2 3.95Å; M413-L418 HydrophobicContact CG-CB 4.11Å; M413-L418 WeakPolarHBondContact SD-CA 3.27Å; M413-L418 HydrophobicContact SD-CB 3.66Å; M413-L418 HydrophobicContact SD-CD1 3.85Å; M413-L418 HydrophobicContact SD-CG 4.37Å; M413-L418 PolarHBondContact SD-N 3.28Å; K414-L418 PolarHBondContact O-N 3.19Å; H415-L418 PolarHBondContact O-N 3.26Å; L418-T422 VanDerWaalsContact O-CB 3.23Å; L418-T422 WeakPolarHBondContact O-CB 3.39Å; L418-T422 PolarHBondContact O-N 3.25Å; L418-T422 PolarHBondContact O-OG1 2.83Å; L418-I441 HydrophobicContact CD2-CD1 3.87Å; L418-I441 HydrophobicContact CD2-CG1 4.18Å; L418-I441 HydrophobicContact CG-CD1 4.19Å; L418-Y459 HydrophobicContact CD2-CD2 3.81Å; L418-Y459 HydrophobicContact CD2-CE2 4.28Å |
| 419 | V | 95.8 | Very high | 93.3 | Very high | 13 Ų | 13 | 69.5 Ų | 69.5 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62 | -48.4 | 177 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | H415 F416 E421 T422 V423 I434 V437 I441 | H415-V419 WeakPolarHBondContact O-CG2 3.46Å; H415-V419 PolarHBondContact O-N 3.04Å; F416-V419 PolarHBondContact O-N 2.81Å; V419-E421 PolarHBondContact O-N 2.96Å; V419-T422 PolarHBondContact O-N 2.93Å; V419-V423 HydrophobicContact CG1-CG2 4.37Å; V419-V423 VanDerWaalsContact O-CG2 3.26Å; V419-V423 WeakPolarHBondContact O-CG2 3.49Å; V419-V423 PolarHBondContact O-N 2.8Å; V419-I434 HydrophobicContact CG1-CG2 4.21Å; V419-V437 HydrophobicContact CG1-CG1 4.38Å; V419-V437 HydrophobicContact CG2-CG1 4.23Å; V419-I441 HydrophobicContact CG2-CD1 4.06Å |
| 420 | Q | 95.1 | Very high | 92.9 | Very high | 109 Ų | 109 | 65.9 Ų | 65.9 | 51% | 0.509 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.3 | -46.6 | 179.5 | -75.9 | -169.6 | -32.3 | 0 | 0 | 112.8 | F416 S417 T422 V423 A424 | F416-Q420 HydrophobicContact CD1-CG 4.45Å; F416-Q420 HydrophobicContact CE1-CG 4.14Å; F416-Q420 VanDerWaalsContact CE1-OE1 3.28Å; F416-Q420 HydrophobicContact CZ-CG 4.2Å; F416-Q420 WeakPolarHBondContact O-CG 3.35Å; F416-Q420 PolarHBondContact O-N 3.2Å; S417-Q420 PolarHBondContact O-N 2.98Å; Q420-T422 VanDerWaalsContact C-N 3.32Å; Q420-T422 PolarHBondContact O-N 3.35Å; Q420-V423 PolarHBondContact O-N 3.39Å; Q420-A424 WeakPolarHBondContact O-CB 3.37Å; Q420-A424 PolarHBondContact O-N 2.99Å |
| 421 | E | 95.1 | Very high | 92.5 | Very high | 70 Ų | 70 | 61.8 Ų | 61.8 | 33% | 0.327 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.2 | -36.9 | -180 | -165 | 171.6 | 172.3 | 0 | 0 | 111 | I406 M413 S417 V419 A424 A425 | I406-E421 HydrophobicContact CD1-CB 4.1Å; I406-E421 HydrophobicContact CD1-CG 3.84Å; I406-E421 HydrophobicContact CG1-CG 4.31Å; I406-E421 HydrophobicContact CG2-CG 4.44Å; M413-E421 WeakPolarHBondContact CE-OE2 3.43Å; S417-E421 WeakPolarHBondContact O-CB 3.5Å; S417-E421 PolarHBondContact O-N 3.22Å; V419-E421 PolarHBondContact O-N 2.96Å; E421-A424 PolarHBondContact O-N 3.22Å; E421-A425 VanDerWaalsContact O-CB 3.31Å; E421-A425 WeakPolarHBondContact O-CB 3.33Å; E421-A425 PolarHBondContact O-N 3.37Å |
| 422 | T | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.5 | -46.5 | 175.3 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | L399 I402 V403 L418 V419 Q420 A424 A425 A426 V437 | L399-T422 HydrophobicContact CD2-CG2 3.98Å; I402-T422 HydrophobicContact CG2-CG2 3.9Å; V403-T422 HydrophobicContact CG2-CG2 3.79Å; L418-T422 VanDerWaalsContact O-CB 3.23Å; L418-T422 WeakPolarHBondContact O-CB 3.39Å; L418-T422 PolarHBondContact O-N 3.25Å; L418-T422 PolarHBondContact O-OG1 2.83Å; V419-T422 PolarHBondContact O-N 2.93Å; Q420-T422 VanDerWaalsContact C-N 3.32Å; Q420-T422 PolarHBondContact O-N 3.35Å; T422-A424 VanDerWaalsContact C-N 3.34Å; T422-A424 PolarHBondContact O-N 3.2Å; T422-A425 PolarHBondContact O-N 3.22Å; T422-A426 VanDerWaalsContact O-CB 3.27Å; T422-A426 WeakPolarHBondContact O-CB 3.38Å; T422-A426 PolarHBondContact O-N 3.3Å; T422-V437 HydrophobicContact CG2-CG1 3.9Å; T422-V437 HydrophobicContact CG2-CG2 4.33Å |
| 423 | V | 94.4 | Very high | 91.9 | Very high | 35 Ų | 35 | 58.5 Ų | 58.5 | 21% | 0.212 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 177.1 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | V419 Q420 A425 A426 R427 P432 V437 | V419-V423 HydrophobicContact CG1-CG2 4.37Å; V419-V423 VanDerWaalsContact O-CG2 3.26Å; V419-V423 WeakPolarHBondContact O-CG2 3.49Å; V419-V423 PolarHBondContact O-N 2.8Å; Q420-V423 PolarHBondContact O-N 3.39Å; V423-A425 PolarHBondContact O-N 2.82Å; V423-A426 PolarHBondContact O-N 2.8Å; V423-R427 PolarHBondContact O-N 3.34Å; V423-P432 HydrophobicContact CB-CG 4.37Å; V423-P432 HydrophobicContact CG1-CG 4.35Å; V423-P432 HydrophobicContact CG2-CG 4.14Å; V423-V437 HydrophobicContact CG2-CG2 4.16Å |
| 424 | A | 93 | Very high | 91.7 | Very high | 65 Ų | 65 | 61.9 Ų | 61.9 | 54% | 0.537 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q420 E421 T422 | Q420-A424 WeakPolarHBondContact O-CB 3.37Å; Q420-A424 PolarHBondContact O-N 2.99Å; E421-A424 PolarHBondContact O-N 3.22Å; T422-A424 VanDerWaalsContact C-N 3.34Å; T422-A424 PolarHBondContact O-N 3.2Å |
| 425 | A | 92.2 | Very high | 91.6 | Very high | 44 Ų | 44 | 58.9 Ų | 58.9 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.6 | -35 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I402 E421 T422 V423 | I402-A425 HydrophobicContact CD1-CB 4.26Å; I402-A425 HydrophobicContact CG2-CB 3.8Å; E421-A425 VanDerWaalsContact O-CB 3.31Å; E421-A425 WeakPolarHBondContact O-CB 3.33Å; E421-A425 PolarHBondContact O-N 3.37Å; T422-A425 PolarHBondContact O-N 3.22Å; V423-A425 PolarHBondContact O-N 2.82Å |
| 426 | A | 92.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -75.7 | -28.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F398 L399 I402 T422 V423 V428 R429 F430 P432 | F398-A426 HydrophobicContact CE1-CB 4.47Å; L399-A426 HydrophobicContact CD2-CB 3.85Å; I402-A426 HydrophobicContact CD1-CB 3.96Å; T422-A426 VanDerWaalsContact O-CB 3.27Å; T422-A426 WeakPolarHBondContact O-CB 3.38Å; T422-A426 PolarHBondContact O-N 3.3Å; V423-A426 PolarHBondContact O-N 2.8Å; A426-V428 PolarHBondContact O-N 2.94Å; A426-R429 PolarHBondContact O-N 2.92Å; A426-F430 CarbonylContact C-O 3.51Å; A426-F430 PolarHBondContact O-N 3.01Å; A426-P432 HydrophobicContact CB-CG 3.71Å |
| 427 | R | 87.2 | Confident | 91.4 | Very high | 159 Ų | 159 | 52.6 Ų | 52.6 | 60% | 0.6 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -20.5 | -175.4 | -152.5 | 175.9 | -152.2 | -168.6 | 5.1 | 115 | V423 R429 F430 L431 | V423-R427 PolarHBondContact O-N 3.34Å; R427-R429 PolarHBondContact O-N 3.34Å; R427-F430 VanDerWaalsContact CA-O 3.3Å; R427-F430 WeakPolarHBondContact CA-O 3.32Å; R427-L431 HydrophobicContact CG-CD1 4.07Å |
| 428 | V | 82.5 | Confident | 91.3 | Very high | 101 Ų | 101 | 54.6 Ų | 54.6 | 61% | 0.612 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -28.1 | 174.2 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | A426 | A426-V428 PolarHBondContact O-N 2.94Š|
| 429 | R | 84.1 | Confident | 91.3 | Very high | 69 Ų | 69 | 60.1 Ų | 60.1 | 26% | 0.26 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -45.6 | -178.6 | -70.7 | -163.1 | 178.3 | 176.7 | -0.5 | 114.1 | K134 D135 F398 A426 R427 | K134-R429 PolarHBondContact N-O 2.88Å; D135-R429 PolarHBondContact N-O 3.42Å; D135-R429 VanDerWaalsContact N-O 3.15Å; F398-R429 HydrophobicContact CE1-CB 4.21Å; F398-R429 HydrophobicContact CE1-CG 4.19Å; F398-R429 VanDerWaalsContact CE2-CZ 3.47Å; F398-R429 HydrophobicContact CZ-CB 4.48Å; F398-R429 VanDerWaalsContact CZ-CD 3.49Å; F398-R429 HydrophobicContact CZ-CG 3.96Å; A426-R429 PolarHBondContact O-N 2.92Å; R427-R429 PolarHBondContact O-N 3.34Å |
| 430 | F | 88.3 | Confident | 91.2 | Very high | 5 Ų | 5 | 59.5 Ų | 59.5 | 2% | 0.022 | 31% | 0.311 | C | S | . | . | trans | -158.6 | 166.9 | 179.9 | 65.7 | -85.8 | 0 | 0 | 0 | 109.7 | E133 R395 F398 L399 A426 R427 P432 | E133-F430 WeakPolarHBondContact OE2-CB 3.41Å; R395-F430 HydrophobicContact CB-CE1 3.97Å; R395-F430 HydrophobicContact CB-CE2 4.17Å; R395-F430 HydrophobicContact CB-CZ 3.63Å; R395-F430 HydrophobicContact CG-CD1 3.97Å; R395-F430 HydrophobicContact CG-CD2 4.36Å; R395-F430 HydrophobicContact CG-CE1 3.62Å; R395-F430 HydrophobicContact CG-CE2 4.04Å; R395-F430 HydrophobicContact CG-CG 4.34Å; R395-F430 HydrophobicContact CG-CZ 3.67Å; F398-F430 AromaticContact CD1-CE1 3.68Å; F398-F430 HydrophobicContact CD1-CE1 3.68Å; F398-F430 HydrophobicContact CD1-CZ 4.4Å; F398-F430 HydrophobicContact CE1-CE1 4.22Å; L399-F430 HydrophobicContact CD1-CZ 4.28Å; L399-F430 HydrophobicContact CD2-CZ 4.16Å; L399-F430 HydrophobicContact CG-CZ 4Å; A426-F430 CarbonylContact C-O 3.51Å; A426-F430 PolarHBondContact O-N 3.01Å; R427-F430 VanDerWaalsContact CA-O 3.3Å; R427-F430 WeakPolarHBondContact CA-O 3.32Å; F430-P432 HydrophobicContact CD2-CB 4.28Å; F430-P432 HydrophobicContact CE2-CB 3.71Å; F430-P432 WeakPolarHBondContact O-CD 3.36Å | ||
| 431 | L | 85.9 | Confident | 91.2 | Very high | 70 Ų | 70 | 54.3 Ų | 54.3 | 37% | 0.366 | 29% | 0.287 | S | S | . | . | trans | -94.3 | 100.4 | 176.5 | -166.8 | 75.2 | 0 | 0 | 0 | 109.6 | D132 R427 | D132-L431 HydrophobicContact CB-CB 4.47Å; R427-L431 HydrophobicContact CG-CD1 4.07Å | ||
| 432 | P | 88 | Confident | 91.2 | Very high | 9 Ų | 9 | 54.2 Ų | 54.2 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | trans | -72.7 | 140.9 | 179.8 | 31 | -37 | 0 | 0 | 0 | 111.3 | L399 V423 A426 F430 V437 | L399-P432 HydrophobicContact CD1-CB 4.31Å; L399-P432 HydrophobicContact CD2-CB 4.22Å; L399-P432 HydrophobicContact CD2-CG 4.49Å; V423-P432 HydrophobicContact CB-CG 4.37Å; V423-P432 HydrophobicContact CG1-CG 4.35Å; V423-P432 HydrophobicContact CG2-CG 4.14Å; A426-P432 HydrophobicContact CB-CG 3.71Å; F430-P432 HydrophobicContact CD2-CB 4.28Å; F430-P432 HydrophobicContact CE2-CB 3.71Å; F430-P432 WeakPolarHBondContact O-CD 3.36Å; P432-V437 HydrophobicContact CB-CG2 3.91Å; P432-V437 HydrophobicContact CG-CG2 4.21Å | ||
| 433 | D | 88 | Confident | 91.1 | Very high | 105 Ų | 105 | 55.6 Ų | 55.6 | 56% | 0.561 | 29% | 0.294 | S | S | * | . | trans | -71.3 | 142.7 | 166.5 | -178.1 | 19 | 0 | 0 | 0 | 110.6 | A435 F436 V437 | D433-A435 PolarHBondContact O-N 3.43Å; D433-A435 PolarHBondContact OD1-N 3Å; D433-A435 WeakPolarHBondContact OD2-CB 3.29Å; D433-F436 HydrophobicContact CB-CB 4.37Å; D433-F436 WeakPolarHBondContact O-CB 3.36Å; D433-F436 PolarHBondContact O-N 3.14Å; D433-F436 VanDerWaalsContact O-N 3.08Å; D433-V437 PolarHBondContact O-N 3.39Å | ||
| 434 | I | 92 | Very high | 91.2 | Very high | 89 Ų | 89 | 54 Ų | 54 | 46% | 0.456 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.5 | -38.7 | 177.6 | -63.8 | 175.1 | 0 | 0 | 0 | 110.3 | V419 F436 V437 K438 | V419-I434 HydrophobicContact CG1-CG2 4.21Å; I434-F436 VanDerWaalsContact C-N 3.3Å; I434-F436 PolarHBondContact O-N 3.34Å; I434-V437 PolarHBondContact O-N 2.85Å; I434-K438 HydrophobicContact CG2-CD 4.17Å; I434-K438 HydrophobicContact CG2-CG 4.42Å; I434-K438 VanDerWaalsContact O-CG 3.31Å; I434-K438 WeakPolarHBondContact O-CG 3.19Å; I434-K438 PolarHBondContact O-N 3.4Å |
| 435 | A | 93.1 | Very high | 91.3 | Very high | 57 Ų | 57 | 52.6 Ų | 52.6 | 47% | 0.471 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | D433 K438 Q439 | D433-A435 PolarHBondContact O-N 3.43Å; D433-A435 PolarHBondContact OD1-N 3Å; D433-A435 WeakPolarHBondContact OD2-CB 3.29Å; A435-K438 PolarHBondContact O-N 3.36Å; A435-Q439 PolarHBondContact O-N 3.26Å |
| 436 | F | 91.7 | Very high | 91.4 | Very high | 50 Ų | 50 | 57.6 Ų | 57.6 | 22% | 0.219 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.7 | -37.9 | 178.9 | -172.9 | -137.4 | 0 | 0 | 0 | 112.7 | R395 K396 L399 D433 I434 Q439 T440 | R395-F436 HydrophobicContact CB-CE1 3.94Å; R395-F436 HydrophobicContact CB-CZ 4.31Å; K396-F436 HydrophobicContact CB-CE2 4.41Å; K396-F436 HydrophobicContact CB-CZ 3.97Å; L399-F436 HydrophobicContact CD1-CD1 3.33Å; L399-F436 HydrophobicContact CD1-CE1 3.36Å; L399-F436 HydrophobicContact CD1-CG 4.14Å; L399-F436 HydrophobicContact CD1-CZ 4.18Å; L399-F436 HydrophobicContact CG-CE1 4.46Å; D433-F436 HydrophobicContact CB-CB 4.37Å; D433-F436 WeakPolarHBondContact O-CB 3.36Å; D433-F436 PolarHBondContact O-N 3.14Å; D433-F436 VanDerWaalsContact O-N 3.08Å; I434-F436 VanDerWaalsContact C-N 3.3Å; I434-F436 PolarHBondContact O-N 3.34Å; F436-Q439 PolarHBondContact O-N 2.77Å; F436-T440 WeakPolarHBondContact O-CB 3.29Å; F436-T440 PolarHBondContact O-N 3.24Å; F436-T440 PolarHBondContact O-OG1 2.93Å |
| 437 | V | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 172.3 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | L399 V419 T422 V423 P432 D433 I434 T440 I441 | L399-V437 HydrophobicContact CD1-CG2 4.42Å; V419-V437 HydrophobicContact CG1-CG1 4.38Å; V419-V437 HydrophobicContact CG2-CG1 4.23Å; T422-V437 HydrophobicContact CG2-CG1 3.9Å; T422-V437 HydrophobicContact CG2-CG2 4.33Å; V423-V437 HydrophobicContact CG2-CG2 4.16Å; P432-V437 HydrophobicContact CB-CG2 3.91Å; P432-V437 HydrophobicContact CG-CG2 4.21Å; D433-V437 PolarHBondContact O-N 3.39Å; I434-V437 PolarHBondContact O-N 2.85Å; V437-T440 WeakPolarHBondContact O-CB 3.44Å; V437-T440 PolarHBondContact O-N 3.45Å; V437-T440 VanDerWaalsContact O-N 3.17Å; V437-I441 HydrophobicContact CG1-CD1 4.15Å; V437-I441 WeakPolarHBondContact O-CG1 3.36Å; V437-I441 PolarHBondContact O-N 3.22Å |
| 438 | K | 93.8 | Very high | 91.7 | Very high | 97 Ų | 97 | 60.6 Ų | 60.6 | 42% | 0.422 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.4 | -48.4 | 177.1 | -72.9 | 176.5 | 176.2 | -178.8 | 0 | 111.6 | I434 A435 T440 I441 E442 | I434-K438 HydrophobicContact CG2-CD 4.17Å; I434-K438 HydrophobicContact CG2-CG 4.42Å; I434-K438 VanDerWaalsContact O-CG 3.31Å; I434-K438 WeakPolarHBondContact O-CG 3.19Å; I434-K438 PolarHBondContact O-N 3.4Å; A435-K438 PolarHBondContact O-N 3.36Å; K438-T440 PolarHBondContact O-N 2.83Å; K438-I441 PolarHBondContact O-N 3.33Å; K438-I441 VanDerWaalsContact O-N 3.12Å; K438-E442 PolarHBondContact O-N 3.13Å |
| 439 | Q | 94.8 | Very high | 92.2 | Very high | 116 Ų | 116 | 60.5 Ų | 60.5 | 54% | 0.542 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.4 | -37.7 | 176.4 | -169.1 | -176.5 | 18.6 | 0 | 0 | 111.9 | A435 F436 E442 N443 | A435-Q439 PolarHBondContact O-N 3.26Å; F436-Q439 PolarHBondContact O-N 2.77Å; Q439-E442 PolarHBondContact O-N 2.68Å; Q439-N443 PolarHBondContact O-N 2.77Å; Q439-N443 PolarHBondContact O-ND2 3.01Å |
| 440 | T | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 176.5 | -57.5 | 0 | 0 | 0 | 0 | 112 | L399 E400 F436 V437 K438 N443 L444 | L399-T440 HydrophobicContact CB-CG2 3.87Å; E400-T440 HydrophobicContact CB-CG2 4.33Å; E400-T440 HydrophobicContact CG-CG2 3.58Å; F436-T440 WeakPolarHBondContact O-CB 3.29Å; F436-T440 PolarHBondContact O-N 3.24Å; F436-T440 PolarHBondContact O-OG1 2.93Å; V437-T440 WeakPolarHBondContact O-CB 3.44Å; V437-T440 PolarHBondContact O-N 3.45Å; V437-T440 VanDerWaalsContact O-N 3.17Å; K438-T440 PolarHBondContact O-N 2.83Å; T440-N443 PolarHBondContact O-N 3.49Å; T440-L444 HydrophobicContact CG2-CD1 4.5Å; T440-L444 WeakPolarHBondContact O-CG 3.44Å; T440-L444 PolarHBondContact O-N 3.43Å; T440-L444 VanDerWaalsContact O-N 3.09Å |
| 441 | I | 95 | Very high | 93 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 176 | -66.4 | 164.6 | 0 | 0 | 0 | 110.4 | V403 L418 V419 V437 K438 N443 L444 I445 L450 Y459 | V403-I441 HydrophobicContact CG1-CG1 4.31Å; V403-I441 HydrophobicContact CG2-CG1 4.42Å; L418-I441 HydrophobicContact CD2-CD1 3.87Å; L418-I441 HydrophobicContact CD2-CG1 4.18Å; L418-I441 HydrophobicContact CG-CD1 4.19Å; V419-I441 HydrophobicContact CG2-CD1 4.06Å; V437-I441 HydrophobicContact CG1-CD1 4.15Å; V437-I441 WeakPolarHBondContact O-CG1 3.36Å; V437-I441 PolarHBondContact O-N 3.22Å; K438-I441 PolarHBondContact O-N 3.33Å; K438-I441 VanDerWaalsContact O-N 3.12Å; I441-N443 PolarHBondContact O-N 3.31Å; I441-L444 WeakPolarHBondContact O-CB 3.21Å; I441-L444 PolarHBondContact O-N 3.17Å; I441-L444 VanDerWaalsContact O-N 3.11Å; I441-I445 HydrophobicContact CG2-CD1 4.23Å; I441-I445 WeakPolarHBondContact O-CG1 3.47Å; I441-I445 PolarHBondContact O-N 3.18Å; I441-L450 HydrophobicContact CG2-CD1 4.35Å; I441-Y459 HydrophobicContact CG2-CD2 4.45Å; I441-Y459 HydrophobicContact CG2-CE1 4.03Å; I441-Y459 HydrophobicContact CG2-CE2 3.93Å |
| 442 | E | 94.5 | Very high | 93.4 | Very high | 67 Ų | 67 | 64.7 Ų | 64.7 | 31% | 0.313 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 177.6 | -61.2 | -55.2 | 141.6 | 0 | 0 | 111.7 | K438 Q439 L444 I445 E446 R452 | K438-E442 PolarHBondContact O-N 3.13Å; Q439-E442 PolarHBondContact O-N 2.68Å; E442-L444 PolarHBondContact O-N 3.24Å; E442-I445 WeakPolarHBondContact O-CB 3.43Å; E442-I445 PolarHBondContact O-N 3.41Å; E442-E446 PolarHBondContact O-N 2.94Å; E442-R452 VanDerWaalsContact CD-NH2 3.3Å; E442-R452 IonicContact OE1-CZ 3.55Å; E442-R452 IonicContact OE1-NH2 3.42Å; E442-R452 PolarHBondContact OE1-NH2 3.45Å; E442-R452 IonicContact OE2-NH2 2.81Å; E442-R452 PolarHBondContact OE2-NH2 3.03Å; E442-R452 VanDerWaalsContact OE2-NH2 3.08Å |
| 443 | N | 94.5 | Very high | 93.6 | Very high | 29 Ų | 29 | 66 Ų | 66 | 16% | 0.155 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.6 | -35.3 | 174.2 | -69.7 | -30 | 0 | 0 | 0 | 112.6 | Q439 T440 I441 K447 | Q439-N443 PolarHBondContact O-N 2.77Å; Q439-N443 PolarHBondContact O-ND2 3.01Å; T440-N443 PolarHBondContact O-N 3.49Å; I441-N443 PolarHBondContact O-N 3.31Å; N443-K447 WeakPolarHBondContact O-CB 3.03Å; N443-K447 VanDerWaalsContact O-CG 3.26Å; N443-K447 WeakPolarHBondContact O-CG 3.44Å; N443-K447 PolarHBondContact O-N 2.98Å |
| 444 | L | 95.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -74.6 | -26.9 | 177.4 | -74.9 | 173.7 | 0 | 0 | 0 | 113 | E400 V403 V404 T440 I441 E442 N448 Y449 L450 | E400-L444 HydrophobicContact CB-CD2 4.18Å; E400-L444 HydrophobicContact CG-CD2 4.14Å; E400-L444 HydrophobicContact CG-CG 4.27Å; V403-L444 HydrophobicContact CB-CD1 3.6Å; V403-L444 HydrophobicContact CG1-CD1 3.42Å; V403-L444 VanDerWaalsContact CG1-CD1 3.42Å; V403-L444 HydrophobicContact CG2-CD1 4.46Å; V404-L444 HydrophobicContact CG2-CD1 4.06Å; V404-L444 HydrophobicContact CG2-CD2 3.81Å; T440-L444 HydrophobicContact CG2-CD1 4.5Å; T440-L444 WeakPolarHBondContact O-CG 3.44Å; T440-L444 PolarHBondContact O-N 3.43Å; T440-L444 VanDerWaalsContact O-N 3.09Å; I441-L444 WeakPolarHBondContact O-CB 3.21Å; I441-L444 PolarHBondContact O-N 3.17Å; I441-L444 VanDerWaalsContact O-N 3.11Å; E442-L444 PolarHBondContact O-N 3.24Å; L444-N448 PolarHBondContact O-N 3.35Å; L444-Y449 HydrophobicContact CD2-CD2 3.82Å; L444-Y449 HydrophobicContact CD2-CG 4.16Å; L444-Y449 PolarHBondContact O-N 2.94Å; L444-L450 HydrophobicContact CB-CD1 3.91Å; L444-L450 HydrophobicContact CB-CG 4.24Å; L444-L450 HydrophobicContact CD1-CD1 4.26Å; L444-L450 PolarHBondContact O-N 2.85Å |
| 445 | I | 94.6 | Very high | 93.4 | Very high | 35 Ų | 35 | 70.6 Ų | 70.6 | 18% | 0.179 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.9 | -47.3 | 170.7 | -64.8 | 166.6 | 0 | 0 | 0 | 109.4 | I441 E442 K447 N448 L450 R452 Y459 | I441-I445 HydrophobicContact CG2-CD1 4.23Å; I441-I445 WeakPolarHBondContact O-CG1 3.47Å; I441-I445 PolarHBondContact O-N 3.18Å; E442-I445 WeakPolarHBondContact O-CB 3.43Å; E442-I445 PolarHBondContact O-N 3.41Å; I445-K447 VanDerWaalsContact C-N 3.26Å; I445-K447 PolarHBondContact O-N 3.09Å; I445-N448 WeakPolarHBondContact O-CA 3.44Å; I445-N448 PolarHBondContact O-N 3.45Å; I445-L450 WeakPolarHBondContact CA-O 3.34Å; I445-L450 HydrophobicContact CG1-CB 3.94Å; I445-R452 HydrophobicContact CD1-CG 4.3Å; I445-Y459 HydrophobicContact CD1-CD1 4.05Å; I445-Y459 HydrophobicContact CD1-CE1 3.66Å |
| 446 | E | 94.3 | Very high | 93 | Very high | 150 Ų | 150 | 70.8 Ų | 70.8 | 70% | 0.701 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58.8 | -37.7 | 176 | -69.3 | 179.2 | 179.2 | 0 | 0 | 112.4 | E442 N448 | E442-E446 PolarHBondContact O-N 2.94Å; E446-N448 PolarHBondContact O-N 2.82Å |
| 447 | K | 94.2 | Very high | 93 | Very high | 99 Ų | 99 | 75 Ų | 75 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 3.7 | 175 | -70.8 | 172.2 | 176.7 | 177.5 | 0 | 114.1 | E400 N443 I445 Y449 | E400-K447 IonicContact OE1-NZ 3.61Å; E400-K447 PolarHBondContact OE1-NZ 2.92Å; E400-K447 IonicContact OE2-NZ 3.63Å; E400-K447 PolarHBondContact OE2-NZ 2.87Å; N443-K447 WeakPolarHBondContact O-CB 3.03Å; N443-K447 VanDerWaalsContact O-CG 3.26Å; N443-K447 WeakPolarHBondContact O-CG 3.44Å; N443-K447 PolarHBondContact O-N 2.98Å; I445-K447 VanDerWaalsContact C-N 3.26Å; I445-K447 PolarHBondContact O-N 3.09Å; K447-Y449 VanDerWaalsContact C-N 3.29Å; K447-Y449 HydrophobicContact CB-CD2 3.66Å; K447-Y449 HydrophobicContact CB-CE2 3.94Å; K447-Y449 HydrophobicContact CD-CE2 4.45Å; K447-Y449 PolarHBondContact O-N 2.87Å |
| 448 | N | 92.6 | Very high | 93 | Very high | 122 Ų | 122 | 77.6 Ų | 77.6 | 65% | 0.652 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 26.1 | -178.8 | -59.3 | -65.2 | 0 | 0 | 0 | 115.5 | L444 I445 E446 L462 | L444-N448 PolarHBondContact O-N 3.35Å; I445-N448 WeakPolarHBondContact O-CA 3.44Å; I445-N448 PolarHBondContact O-N 3.45Å; E446-N448 PolarHBondContact O-N 2.82Å; N448-L462 WeakPolarHBondContact O-CB 3.03Å |
| 449 | Y | 92.8 | Very high | 93.1 | Very high | 99 Ų | 99 | 73.2 Ų | 73.2 | 39% | 0.388 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -81.2 | -29.6 | 169.9 | -75.7 | -81.7 | 0 | 0 | 0 | 112.2 | V404 L444 K447 Y461 L462 A463 | V404-Y449 HydrophobicContact CG2-CD1 4.16Å; V404-Y449 HydrophobicContact CG2-CG 4.26Å; L444-Y449 HydrophobicContact CD2-CD2 3.82Å; L444-Y449 HydrophobicContact CD2-CG 4.16Å; L444-Y449 PolarHBondContact O-N 2.94Å; K447-Y449 VanDerWaalsContact C-N 3.29Å; K447-Y449 HydrophobicContact CB-CD2 3.66Å; K447-Y449 HydrophobicContact CB-CE2 3.94Å; K447-Y449 HydrophobicContact CD-CE2 4.45Å; K447-Y449 PolarHBondContact O-N 2.87Å; Y449-Y461 WeakPolarHBondContact O-CD2 3.43Å; Y449-L462 PolarHBondContact O-N 3.25Å; Y449-A463 HydrophobicContact CD1-CB 4.45Å |
| 450 | L | 94.3 | Very high | 93 | Very high | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 152.2 | -176.1 | -56.4 | 176.3 | 0 | 0 | 0 | 110 | V403 M407 I441 L444 I445 A460 Y461 | V403-L450 HydrophobicContact CG1-CD1 3.86Å; M407-L450 HydrophobicContact CB-CD2 3.59Å; M407-L450 HydrophobicContact CE-CD2 3.86Å; M407-L450 HydrophobicContact CG-CD1 4.39Å; M407-L450 HydrophobicContact CG-CD2 3.54Å; M407-L450 HydrophobicContact SD-CD2 4.47Å; I441-L450 HydrophobicContact CG2-CD1 4.35Å; L444-L450 HydrophobicContact CB-CD1 3.91Å; L444-L450 HydrophobicContact CB-CG 4.24Å; L444-L450 HydrophobicContact CD1-CD1 4.26Å; L444-L450 PolarHBondContact O-N 2.85Å; I445-L450 WeakPolarHBondContact CA-O 3.34Å; I445-L450 HydrophobicContact CG1-CB 3.94Å; L450-A460 CarbonylContact C-O 3.58Å; L450-A460 WeakPolarHBondContact CA-O 3.24Å; L450-Y461 HydrophobicContact CD2-CD2 3.94Å |
| 451 | K | 93.7 | Very high | 93.1 | Very high | 108 Ų | 108 | 69.7 Ų | 69.7 | 47% | 0.47 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 155 | 164 | 60.4 | 169.4 | 171.7 | -175.6 | 0 | 111.1 | Y459 A460 L462 | K451-Y459 CarbonylContact O-C 3.57Å; K451-Y459 VanDerWaalsContact O-CA 3.27Å; K451-Y459 WeakPolarHBondContact O-CA 3.46Å; K451-A460 HydrophobicContact CG-CB 4.04Å; K451-A460 PolarHBondContact N-O 3.2Å; K451-A460 PolarHBondContact O-N 2.99Å; K451-L462 HydrophobicContact CB-CD1 3.96Å; K451-L462 HydrophobicContact CB-CD2 4.32Å; K451-L462 HydrophobicContact CB-CG 4.19Å; K451-L462 HydrophobicContact CD-CD2 3.69Å; K451-L462 HydrophobicContact CD-CG 4.45Å; K451-L462 HydrophobicContact CG-CD1 4.28Å; K451-L462 HydrophobicContact CG-CD2 3.75Å; K451-L462 HydrophobicContact CG-CG 3.97Å |
| 452 | R | 94.3 | Very high | 92.8 | Very high | 122 Ų | 122 | 73.7 Ų | 73.7 | 46% | 0.46 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 138.4 | 163.3 | -64 | -177.5 | -175.3 | -153.1 | 2.5 | 108.9 | E442 I445 Y459 | E442-R452 VanDerWaalsContact CD-NH2 3.3Å; E442-R452 IonicContact OE1-CZ 3.55Å; E442-R452 IonicContact OE1-NH2 3.42Å; E442-R452 PolarHBondContact OE1-NH2 3.45Å; E442-R452 IonicContact OE2-NH2 2.81Å; E442-R452 PolarHBondContact OE2-NH2 3.03Å; E442-R452 VanDerWaalsContact OE2-NH2 3.08Å; I445-R452 HydrophobicContact CD1-CG 4.3Å; R452-Y459 HydrophobicContact CG-CD1 3.94Å; R452-Y459 HydrophobicContact CG-CE1 3.78Å |
| 453 | T | 92.9 | Very high | 92 | Very high | 37 Ų | 37 | 75.1 Ų | 75.1 | 23% | 0.227 | 38% | 0.38 | C | S | . | . | trans | -79 | -173.4 | 171.7 | 66.6 | 0 | 0 | 0 | 0 | 110.1 | V412 N455 E458 A460 | V412-T453 HydrophobicContact CG1-CG2 4.5Å; T453-N455 PolarHBondContact O-N 2.94Å; T453-N455 PolarHBondContact OG1-N 3.36Å; T453-N455 PolarHBondContact OG1-O 3.01Å; T453-E458 HydrophobicContact CG2-CB 4.47Å; T453-E458 HydrophobicContact CG2-CG 3.97Å; T453-E458 PolarHBondContact N-O 3.25Å; T453-E458 WeakPolarHBondContact OG1-CB 3.5Å; T453-E458 PolarHBondContact OG1-O 3.33Å; T453-E458 VanDerWaalsContact OG1-O 3.11Å; T453-E458 PolarHBondContact OG1-OE2 3.04Å; T453-A460 HydrophobicContact CG2-CB 3.85Å | ||
| 454 | E | 88.8 | Confident | 91.9 | Very high | 210 Ų | 210 | 77.5 Ų | 77.5 | 98% | 0.981 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -58.2 | -26.8 | 170.9 | -62.3 | -178.2 | 179 | 0 | 0 | 112 | ||
| 455 | N | 88.1 | Confident | 91.7 | Very high | 81 Ų | 81 | 81.4 Ų | 81.4 | 43% | 0.433 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -90.9 | 119.1 | 168.9 | -170.1 | -8.6 | 0 | 0 | 0 | 110 | T453 E457 E458 | T453-N455 PolarHBondContact O-N 2.94Å; T453-N455 PolarHBondContact OG1-N 3.36Å; T453-N455 PolarHBondContact OG1-O 3.01Å; N455-E457 PolarHBondContact O-N 3.36Å; N455-E457 VanDerWaalsContact O-N 3.09Å; N455-E457 PolarHBondContact OD1-N 3.1Å; N455-E458 HydrophobicContact CB-CB 4.22Å; N455-E458 PolarHBondContact O-N 3.43Å |
| 456 | A | 83.8 | Confident | 91.5 | Very high | 61 Ų | 61 | 84 Ų | 84 | 50% | 0.504 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E458 | A456-E458 VanDerWaalsContact C-N 3.34Š|
| 457 | E | 91 | Very high | 91.3 | Very high | 137 Ų | 137 | 80.1 Ų | 80.1 | 64% | 0.64 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 9.8 | 176.7 | -61.2 | -166.4 | 159.4 | 0 | 0 | 113.7 | K414 H415 N455 | K414-E457 CarbonylContact C-O 3.47Å; K414-E457 VanDerWaalsContact CA-O 3.29Å; K414-E457 WeakPolarHBondContact CA-O 3.25Å; H415-E457 PolarHBondContact N-O 3.34Å; N455-E457 PolarHBondContact O-N 3.36Å; N455-E457 VanDerWaalsContact O-N 3.09Å; N455-E457 PolarHBondContact OD1-N 3.1Å |
| 458 | E | 94.5 | Very high | 91.2 | Very high | 55 Ų | 55 | 78.9 Ų | 78.9 | 26% | 0.257 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 133.3 | -178.1 | 179.5 | 177.3 | -85.2 | 0 | 0 | 111.5 | V412 T453 N455 A456 | V412-E458 HydrophobicContact CG1-CG 3.46Å; V412-E458 VanDerWaalsContact CG1-CG 3.46Å; V412-E458 VanDerWaalsContact CG1-OE2 3.32Å; V412-E458 WeakPolarHBondContact CG1-OE2 3.46Å; T453-E458 HydrophobicContact CG2-CB 4.47Å; T453-E458 HydrophobicContact CG2-CG 3.97Å; T453-E458 PolarHBondContact N-O 3.25Å; T453-E458 WeakPolarHBondContact OG1-CB 3.5Å; T453-E458 PolarHBondContact OG1-O 3.33Å; T453-E458 VanDerWaalsContact OG1-O 3.11Å; T453-E458 PolarHBondContact OG1-OE2 3.04Å; N455-E458 HydrophobicContact CB-CB 4.22Å; N455-E458 PolarHBondContact O-N 3.43Å; A456-E458 VanDerWaalsContact C-N 3.34Å |
| 459 | Y | 95.7 | Very high | 91.1 | Very high | 5 Ų | 5 | 76.1 Ų | 76.1 | 2% | 0.02 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 146.9 | -179.6 | -55.6 | -70.3 | 0 | 0 | 0 | 111 | M407 V412 M413 H415 L418 I441 I445 K451 R452 | M407-Y459 WeakPolarHBondContact CE-O 3.45Å; V412-Y459 VanDerWaalsContact CA-O 3.31Å; V412-Y459 WeakPolarHBondContact CA-O 3.43Å; M413-Y459 PolarHBondContact N-O 2.84Å; M413-Y459 PolarHBondContact O-N 3.24Å; H415-Y459 HydrophobicContact CB-CE2 3.74Å; H415-Y459 AromaticContact CG-CE2 3.94Å; H415-Y459 AromaticContact ND1-CE2 3.37Å; H415-Y459 WeakPolarHBondContact ND1-CE2 3.31Å; H415-Y459 AromaticContact ND1-CZ 3.55Å; H415-Y459 PolarHBondContact ND1-OH 3.37Å; L418-Y459 HydrophobicContact CD2-CD2 3.81Å; L418-Y459 HydrophobicContact CD2-CE2 4.28Å; I441-Y459 HydrophobicContact CG2-CD2 4.45Å; I441-Y459 HydrophobicContact CG2-CE1 4.03Å; I441-Y459 HydrophobicContact CG2-CE2 3.93Å; I445-Y459 HydrophobicContact CD1-CD1 4.05Å; I445-Y459 HydrophobicContact CD1-CE1 3.66Å; K451-Y459 CarbonylContact O-C 3.57Å; K451-Y459 VanDerWaalsContact O-CA 3.27Å; K451-Y459 WeakPolarHBondContact O-CA 3.46Å; R452-Y459 HydrophobicContact CG-CD1 3.94Å; R452-Y459 HydrophobicContact CG-CE1 3.78Å |
| 460 | A | 94.5 | Very high | 90.9 | Very high | 11 Ų | 11 | 74.4 Ų | 74.4 | 9% | 0.091 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | K411 V412 L450 K451 T453 | K411-A460 CarbonylContact O-C 3.57Å; K411-A460 WeakPolarHBondContact O-CA 3.49Å; V412-A460 HydrophobicContact CG2-CB 4.25Å; L450-A460 CarbonylContact C-O 3.58Å; L450-A460 WeakPolarHBondContact CA-O 3.24Å; K451-A460 HydrophobicContact CG-CB 4.04Å; K451-A460 PolarHBondContact N-O 3.2Å; K451-A460 PolarHBondContact O-N 2.99Å; T453-A460 HydrophobicContact CG2-CB 3.85Å |
| 461 | Y | 95.3 | Very high | 90.7 | Very high | 32 Ų | 32 | 80 Ų | 80 | 13% | 0.125 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 134.7 | 176.4 | -172.3 | -114.1 | 0 | 0 | 0 | 111.2 | V404 M407 K408 K411 Y449 L450 A463 | V404-Y461 HydrophobicContact CG1-CE2 4.09Å; M407-Y461 HydrophobicContact CB-CD2 3.88Å; M407-Y461 HydrophobicContact CB-CG 4.38Å; M407-Y461 WeakPolarHBondContact O-CB 3.46Å; K408-Y461 HydrophobicContact CB-CD1 4.24Å; K408-Y461 HydrophobicContact CB-CE1 3.7Å; K408-Y461 HydrophobicContact CB-CE2 4.21Å; K408-Y461 HydrophobicContact CD-CE1 4.25Å; K408-Y461 HydrophobicContact CG-CD1 4.42Å; K408-Y461 HydrophobicContact CG-CE1 3.68Å; K411-Y461 PolarHBondContact O-N 3.5Å; Y449-Y461 WeakPolarHBondContact O-CD2 3.43Å; L450-Y461 HydrophobicContact CD2-CD2 3.94Å; Y461-A463 VanDerWaalsContact CD1-O 3.27Å; Y461-A463 WeakPolarHBondContact CD1-O 3.41Å; Y461-A463 HydrophobicContact CE1-CB 4.06Å; Y461-A463 WeakPolarHBondContact CE1-O 3.32Å; Y461-A463 HydrophobicContact CE2-CB 4.3Å |
| 462 | L | 89.1 | Confident | 90.4 | Very high | 83 Ų | 83 | 77.7 Ų | 77.7 | 44% | 0.435 | 42% | 0.415 | S | S | . | . | trans | -103.8 | -16.5 | -173.4 | -74.8 | 177.2 | 0 | 0 | 0 | 115.3 | N448 Y449 K451 | N448-L462 WeakPolarHBondContact O-CB 3.03Å; Y449-L462 PolarHBondContact O-N 3.25Å; K451-L462 HydrophobicContact CB-CD1 3.96Å; K451-L462 HydrophobicContact CB-CD2 4.32Å; K451-L462 HydrophobicContact CB-CG 4.19Å; K451-L462 HydrophobicContact CD-CD2 3.69Å; K451-L462 HydrophobicContact CD-CG 4.45Å; K451-L462 HydrophobicContact CG-CD1 4.28Å; K451-L462 HydrophobicContact CG-CD2 3.75Å; K451-L462 HydrophobicContact CG-CG 3.97Å | ||
| 463 | A | 77.4 | Confident | 90.1 | Very high | 98 Ų | 98 | 73.6 Ų | 73.6 | 81% | 0.81 | 41% | 0.411 | S | S | * | . | trans | -103.1 | 0 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y449 Y461 | Y449-A463 HydrophobicContact CD1-CB 4.45Å; Y461-A463 VanDerWaalsContact CD1-O 3.27Å; Y461-A463 WeakPolarHBondContact CD1-O 3.41Å; Y461-A463 HydrophobicContact CE1-CB 4.06Å; Y461-A463 WeakPolarHBondContact CE1-O 3.32Å; Y461-A463 HydrophobicContact CE2-CB 4.3Å |
Retrieved 463 of 463 residues in 382.8 ms
(Link to these results)