| 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 | 48.3 | Very low | 80.2 | Confident | 184 Ų | 184 | 52.8 Ų | 52.8 | 91% | 0.906 | 28% | 0.276 | S | S | * | . | 0 | 125.3 | 0 | -82.3 | -164.6 | -84.5 | 0 | 0 | 107.3 | P3 | M1-P3 WeakPolarHBondContact O-CD 3.43Š| |||
| 2 | E | 61.6 | Low | 81 | Confident | 88 Ų | 88 | 48.5 Ų | 48.5 | 41% | 0.411 | 25% | 0.254 | S | S | . | . | trans | -73.7 | 110.3 | 179.1 | -69.5 | -170.6 | -178.5 | 0 | 0 | 110 | F4 V5 V64 | E2-F4 PolarHBondContact O-N 3.37Å; E2-F4 VanDerWaalsContact O-N 3.12Å; E2-V5 HydrophobicContact CB-CB 4.44Å; E2-V5 HydrophobicContact CB-CG2 4.09Å; E2-V5 PolarHBondContact O-N 2.74Å; E2-V64 WeakPolarHBondContact OE2-CG2 3.46Å | ||
| 3 | P | 75.8 | Confident | 81 | Confident | 84 Ų | 84 | 55.5 Ų | 55.5 | 55% | 0.545 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.3 | -33.2 | -170.7 | -25.2 | 35.9 | 0 | 0 | 0 | 112.9 | M1 N6 I7 | M1-P3 WeakPolarHBondContact O-CD 3.43Å; P3-N6 PolarHBondContact O-N 3.35Å; P3-I7 VanDerWaalsContact O-CG1 3.32Å; P3-I7 WeakPolarHBondContact O-CG1 3.49Å; P3-I7 PolarHBondContact O-N 2.91Å; P3-I7 VanDerWaalsContact O-N 3.14Å |
| 4 | F | 82.9 | Confident | 81 | Confident | 105 Ų | 105 | 61.6 Ų | 61.6 | 46% | 0.461 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.3 | -40.4 | -177.9 | -64.8 | -75.3 | 0 | 0 | 0 | 113.2 | E2 N6 I7 F8 F58 L62 | E2-F4 PolarHBondContact O-N 3.37Å; E2-F4 VanDerWaalsContact O-N 3.12Å; F4-N6 VanDerWaalsContact C-N 3.31Å; F4-N6 PolarHBondContact O-N 2.97Å; F4-I7 WeakPolarHBondContact O-CB 3.45Å; F4-I7 PolarHBondContact O-N 3.5Å; F4-I7 VanDerWaalsContact O-N 3.16Å; F4-F8 PolarHBondContact O-N 2.94Å; F4-F58 HydrophobicContact CB-CE1 4.42Å; F4-F58 HydrophobicContact CB-CZ 3.92Å; F4-F58 VanDerWaalsContact O-CZ 3.28Å; F4-F58 WeakPolarHBondContact O-CZ 3.32Å; F4-L62 HydrophobicContact CB-CD1 3.74Å; F4-L62 HydrophobicContact CB-CD2 4.27Å; F4-L62 HydrophobicContact CD2-CD2 4.47Å; F4-L62 HydrophobicContact CG-CD2 4.42Å |
| 5 | V | 85.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 177.9 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | E2 I7 F8 F9 F58 L62 A69 L72 | E2-V5 HydrophobicContact CB-CB 4.44Å; E2-V5 HydrophobicContact CB-CG2 4.09Å; E2-V5 PolarHBondContact O-N 2.74Å; V5-I7 VanDerWaalsContact C-N 3.32Å; V5-I7 PolarHBondContact O-N 2.83Å; V5-F8 WeakPolarHBondContact O-CB 3.43Å; V5-F8 PolarHBondContact O-N 3.22Å; V5-F9 HydrophobicContact CG1-CD2 4.13Å; V5-F9 HydrophobicContact CG1-CE1 4.16Å; V5-F9 HydrophobicContact CG1-CE2 3.31Å; V5-F9 HydrophobicContact CG1-CZ 3.29Å; V5-F9 WeakPolarHBondContact O-CD2 2.87Å; V5-F9 WeakPolarHBondContact O-CG 3.47Å; V5-F9 PolarHBondContact O-N 3.41Å; V5-F9 VanDerWaalsContact O-N 3.1Å; V5-F58 HydrophobicContact CG2-CE1 4.29Å; V5-L62 HydrophobicContact CG2-CD1 3.94Å; V5-A69 HydrophobicContact CG1-CB 4.2Å; V5-L72 HydrophobicContact CB-CD2 4.45Å; V5-L72 HydrophobicContact CG1-CD2 4.06Å |
| 6 | N | 83.2 | Confident | 81.7 | Confident | 44 Ų | 44 | 62.7 Ų | 62.7 | 24% | 0.235 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.9 | -36.3 | 174.6 | -69.9 | -10.1 | 0 | 0 | 0 | 112.5 | P3 F4 F9 A10 V76 | P3-N6 PolarHBondContact O-N 3.35Å; F4-N6 VanDerWaalsContact C-N 3.31Å; F4-N6 PolarHBondContact O-N 2.97Å; N6-F9 PolarHBondContact O-N 3.05Å; N6-A10 WeakPolarHBondContact O-CB 3.47Å; N6-A10 PolarHBondContact O-N 3.12Å; N6-V76 WeakPolarHBondContact OD1-CG2 3.19Å |
| 7 | I | 88.2 | Confident | 82.2 | Confident | 39 Ų | 39 | 62.7 Ų | 62.7 | 20% | 0.2 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 174.8 | -66.2 | 164.2 | 0 | 0 | 0 | 110.1 | P3 F4 V5 F9 A10 I11 Y27 M37 W41 | P3-I7 VanDerWaalsContact O-CG1 3.32Å; P3-I7 WeakPolarHBondContact O-CG1 3.49Å; P3-I7 PolarHBondContact O-N 2.91Å; P3-I7 VanDerWaalsContact O-N 3.14Å; F4-I7 WeakPolarHBondContact O-CB 3.45Å; F4-I7 PolarHBondContact O-N 3.5Å; F4-I7 VanDerWaalsContact O-N 3.16Å; V5-I7 VanDerWaalsContact C-N 3.32Å; V5-I7 PolarHBondContact O-N 2.83Å; I7-F9 VanDerWaalsContact C-N 3.33Å; I7-F9 PolarHBondContact O-N 2.85Å; I7-A10 WeakPolarHBondContact O-CB 3.4Å; I7-A10 PolarHBondContact O-N 3.08Å; I7-I11 HydrophobicContact CG2-CD1 3.65Å; I7-I11 HydrophobicContact CG2-CG1 4.33Å; I7-I11 VanDerWaalsContact O-CG1 3.3Å; I7-I11 WeakPolarHBondContact O-CG1 3.3Å; I7-I11 PolarHBondContact O-N 3.21Å; I7-Y27 HydrophobicContact CG2-CE1 3.88Å; I7-M37 HydrophobicContact CG2-CE 3.8Å; I7-W41 HydrophobicContact CB-CH2 4.18Å; I7-W41 HydrophobicContact CB-CZ2 4.18Å; I7-W41 HydrophobicContact CG2-CH2 3.58Å; I7-W41 HydrophobicContact CG2-CZ2 3.56Å |
| 8 | F | 91.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55 | -50 | 175 | -172.2 | -74.5 | 0 | 0 | 0 | 111 | F4 V5 A10 I11 D12 I19 I53 F55 F58 | F4-F8 PolarHBondContact O-N 2.94Å; V5-F8 WeakPolarHBondContact O-CB 3.43Å; V5-F8 PolarHBondContact O-N 3.22Å; F8-A10 PolarHBondContact O-N 2.96Å; F8-I11 PolarHBondContact O-N 3.24Å; F8-I11 VanDerWaalsContact O-N 3.09Å; F8-D12 HydrophobicContact CD1-CB 4.18Å; F8-D12 HydrophobicContact CE1-CB 3.84Å; F8-D12 PolarHBondContact O-N 3.39Å; F8-I19 HydrophobicContact CB-CD1 4.29Å; F8-I19 HydrophobicContact CD1-CD1 4.03Å; F8-I19 HydrophobicContact CD2-CD1 3.33Å; F8-I19 HydrophobicContact CD2-CG1 4.33Å; F8-I19 HydrophobicContact CE1-CD1 4.11Å; F8-I19 HydrophobicContact CE1-CG1 4.32Å; F8-I19 HydrophobicContact CE2-CD1 3.44Å; F8-I19 VanDerWaalsContact CE2-CD1 3.44Å; F8-I19 HydrophobicContact CE2-CG1 3.97Å; F8-I19 HydrophobicContact CG-CD1 3.64Å; F8-I19 HydrophobicContact CZ-CD1 3.82Å; F8-I19 HydrophobicContact CZ-CG1 3.94Å; F8-I53 HydrophobicContact CE2-CG2 4.22Å; F8-F55 AromaticContact CD1-CD2 3.61Å; F8-F55 HydrophobicContact CD1-CD2 3.61Å; F8-F55 HydrophobicContact CD1-CE2 4.18Å; F8-F55 HydrophobicContact CD2-CD2 4.39Å; F8-F55 HydrophobicContact CE1-CB 3.87Å; F8-F55 AromaticContact CE1-CD2 3.51Å; F8-F55 HydrophobicContact CE1-CD2 3.51Å; F8-F55 HydrophobicContact CE1-CE2 4.45Å; F8-F55 HydrophobicContact CE1-CG 4.09Å; F8-F55 HydrophobicContact CE2-CB 4.34Å; F8-F55 HydrophobicContact CE2-CD2 4.28Å; F8-F55 HydrophobicContact CG-CD2 4.09Å; F8-F55 HydrophobicContact CZ-CB 3.62Å; F8-F55 AromaticContact CZ-CD2 3.88Å; F8-F55 HydrophobicContact CZ-CD2 3.88Å; F8-F55 HydrophobicContact CZ-CG 4.25Å; F8-F58 HydrophobicContact CB-CD1 4.14Å; F8-F58 HydrophobicContact CB-CE1 3.75Å; F8-F58 HydrophobicContact CB-CE2 4.49Å; F8-F58 HydrophobicContact CB-CZ 3.94Å; F8-F58 HydrophobicContact CD2-CB 3.92Å; F8-F58 AromaticContact CD2-CD1 3.76Å; F8-F58 HydrophobicContact CD2-CD1 3.76Å; F8-F58 AromaticContact CD2-CD2 3.74Å; F8-F58 HydrophobicContact CD2-CD2 3.74Å; F8-F58 HydrophobicContact CD2-CE1 4.14Å; F8-F58 HydrophobicContact CD2-CE2 4.12Å; F8-F58 AromaticContact CD2-CG 3.52Å; F8-F58 HydrophobicContact CD2-CG 3.52Å; F8-F58 HydrophobicContact CD2-CZ 4.3Å; F8-F58 HydrophobicContact CE2-CB 3.96Å; F8-F58 HydrophobicContact CE2-CD2 4.39Å; F8-F58 HydrophobicContact CE2-CG 4.08Å; F8-F58 HydrophobicContact CG-CD1 4.17Å; F8-F58 HydrophobicContact CG-CE1 4.28Å; F8-F58 HydrophobicContact CG-CG 4.38Å |
| 9 | F | 89 | Confident | 83.4 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.4 | -21.8 | 178.2 | -57.1 | -31.5 | 0 | 0 | 0 | 114.2 | V5 N6 I7 F55 A69 R73 R80 | V5-F9 HydrophobicContact CG1-CD2 4.13Å; V5-F9 HydrophobicContact CG1-CE1 4.16Å; V5-F9 HydrophobicContact CG1-CE2 3.31Å; V5-F9 HydrophobicContact CG1-CZ 3.29Å; V5-F9 WeakPolarHBondContact O-CD2 2.87Å; V5-F9 WeakPolarHBondContact O-CG 3.47Å; V5-F9 PolarHBondContact O-N 3.41Å; V5-F9 VanDerWaalsContact O-N 3.1Å; N6-F9 PolarHBondContact O-N 3.05Å; I7-F9 VanDerWaalsContact C-N 3.33Å; I7-F9 PolarHBondContact O-N 2.85Å; F9-F55 HydrophobicContact CD1-CE2 4.39Å; F9-F55 HydrophobicContact CE1-CD2 4.23Å; F9-F55 AromaticContact CE1-CE2 3.37Å; F9-F55 HydrophobicContact CE1-CE2 3.37Å; F9-F55 AromaticContact CE1-CZ 3.73Å; F9-F55 HydrophobicContact CE1-CZ 3.73Å; F9-F55 AromaticContact CZ-CE2 3.88Å; F9-F55 HydrophobicContact CZ-CE2 3.88Å; F9-F55 AromaticContact CZ-CZ 3.96Å; F9-F55 HydrophobicContact CZ-CZ 3.96Å; F9-A69 VanDerWaalsContact CZ-O 3.29Å; F9-A69 WeakPolarHBondContact CZ-O 3.37Å; F9-R73 HydrophobicContact CD1-CB 4.24Å; F9-R73 HydrophobicContact CD1-CG 3.74Å; F9-R73 HydrophobicContact CD2-CB 4.08Å; F9-R73 HydrophobicContact CD2-CG 3.99Å; F9-R73 HydrophobicContact CE1-CB 3.77Å; F9-R73 HydrophobicContact CE1-CG 3.76Å; F9-R73 VanDerWaalsContact CE2-CA 3.42Å; F9-R73 HydrophobicContact CE2-CB 3.57Å; F9-R73 HydrophobicContact CE2-CG 3.98Å; F9-R73 HydrophobicContact CG-CB 4.4Å; F9-R73 HydrophobicContact CG-CG 3.89Å; F9-R73 HydrophobicContact CZ-CB 3.44Å; F9-R73 VanDerWaalsContact CZ-CB 3.44Å; F9-R73 HydrophobicContact CZ-CG 3.91Å; F9-R80 PolarHBondContact O-NH2 3.37Å |
| 10 | A | 86 | Confident | 83.9 | Confident | 29 Ų | 29 | 57.8 Ų | 57.8 | 24% | 0.24 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -79.6 | -27.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N6 I7 F8 Y27 | N6-A10 WeakPolarHBondContact O-CB 3.47Å; N6-A10 PolarHBondContact O-N 3.12Å; I7-A10 WeakPolarHBondContact O-CB 3.4Å; I7-A10 PolarHBondContact O-N 3.08Å; F8-A10 PolarHBondContact O-N 2.96Å; A10-Y27 HydrophobicContact CB-CD2 4.46Å; A10-Y27 HydrophobicContact CB-CE2 3.6Å |
| 11 | I | 90.7 | Very high | 84.3 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.015 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -88.6 | -38.5 | 179.2 | -56.4 | 158.7 | 0 | 0 | 0 | 111.6 | I7 F8 E13 I19 E23 L24 Y27 W41 | I7-I11 HydrophobicContact CG2-CD1 3.65Å; I7-I11 HydrophobicContact CG2-CG1 4.33Å; I7-I11 VanDerWaalsContact O-CG1 3.3Å; I7-I11 WeakPolarHBondContact O-CG1 3.3Å; I7-I11 PolarHBondContact O-N 3.21Å; F8-I11 PolarHBondContact O-N 3.24Å; F8-I11 VanDerWaalsContact O-N 3.09Å; I11-E13 PolarHBondContact O-N 3.13Å; I11-I19 HydrophobicContact CB-CD1 3.7Å; I11-I19 HydrophobicContact CB-CG1 4.09Å; I11-I19 HydrophobicContact CB-CG2 4.4Å; I11-I19 HydrophobicContact CD1-CD1 4.12Å; I11-I19 HydrophobicContact CG2-CB 4.26Å; I11-I19 HydrophobicContact CG2-CD1 3.92Å; I11-I19 HydrophobicContact CG2-CG1 3.87Å; I11-I19 HydrophobicContact CG2-CG2 3.42Å; I11-I19 VanDerWaalsContact CG2-CG2 3.42Å; I11-E23 HydrophobicContact CG2-CB 3.89Å; I11-L24 HydrophobicContact CD1-CD1 3.68Å; I11-Y27 HydrophobicContact CD1-CD1 4.1Å; I11-Y27 HydrophobicContact CD1-CG 4.28Å; I11-Y27 HydrophobicContact CG1-CD1 3.75Å; I11-Y27 HydrophobicContact CG1-CD2 3.72Å; I11-Y27 HydrophobicContact CG1-CE1 4.26Å; I11-Y27 HydrophobicContact CG1-CE2 4.25Å; I11-Y27 HydrophobicContact CG1-CG 3.45Å; I11-Y27 VanDerWaalsContact CG1-CG 3.45Å; I11-W41 HydrophobicContact CD1-CE3 4.5Å; I11-W41 HydrophobicContact CD1-CH2 3.86Å; I11-W41 HydrophobicContact CD1-CZ3 3.79Å |
| 12 | D | 89.7 | Confident | 86.3 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | trans | -75.8 | 66.9 | 175.7 | 176.3 | 25.8 | 0 | 0 | 0 | 110.8 | F8 Q14 Q15 N16 E17 I19 R73 | F8-D12 HydrophobicContact CD1-CB 4.18Å; F8-D12 HydrophobicContact CE1-CB 3.84Å; F8-D12 PolarHBondContact O-N 3.39Å; D12-Q14 VanDerWaalsContact C-N 3.26Å; D12-Q14 PolarHBondContact O-N 3.43Å; D12-Q15 PolarHBondContact O-N 3.07Å; D12-Q15 VanDerWaalsContact OD1-CA 3.3Å; D12-Q15 WeakPolarHBondContact OD1-CA 3.27Å; D12-Q15 PolarHBondContact OD1-N 3.39Å; D12-Q15 WeakPolarHBondContact OD2-CA 3.4Å; D12-N16 PolarHBondContact OD1-N 3.33Å; D12-N16 PolarHBondContact OD1-OD1 3.25Å; D12-E17 PolarHBondContact OD2-N 3.12Å; D12-I19 HydrophobicContact CB-CG1 4.09Å; D12-R73 PolarHBondContact O-NH2 3.08Å; D12-R73 VanDerWaalsContact O-NH2 3.14Å; D12-R73 IonicContact OD2-CZ 3.87Å; D12-R73 VanDerWaalsContact OD2-CZ 3.3Å; D12-R73 IonicContact OD2-NH1 2.88Å; D12-R73 PolarHBondContact OD2-NH1 3.15Å; D12-R73 IonicContact OD2-NH2 2.73Å; D12-R73 PolarHBondContact OD2-NH2 3.33Å | ||
| 13 | E | 81.2 | Confident | 87.8 | Confident | 140 Ų | 140 | 52.6 Ų | 52.6 | 65% | 0.654 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -33.9 | -179.5 | -69.1 | 177.2 | -178.7 | 0 | 0 | 112 | I11 Q15 | I11-E13 PolarHBondContact O-N 3.13Å; E13-Q15 VanDerWaalsContact C-N 3.29Å; E13-Q15 PolarHBondContact O-N 2.88Å |
| 14 | Q | 81.2 | Confident | 88.6 | Confident | 141 Ų | 141 | 48.7 Ų | 48.7 | 66% | 0.659 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -5.9 | -179.2 | -62.1 | -175 | 4.5 | 0 | 0 | 113.7 | D12 N16 | D12-Q14 VanDerWaalsContact C-N 3.26Å; D12-Q14 PolarHBondContact O-N 3.43Å; Q14-N16 PolarHBondContact O-N 3.35Å; Q14-N16 PolarHBondContact OE1-ND2 2.88Å |
| 15 | Q | 83.9 | Confident | 89.1 | Confident | 73 Ų | 73 | 48.4 Ų | 48.4 | 34% | 0.341 | 24% | 0.236 | S | C | . | . | trans | 54.8 | 33.8 | -177.6 | -42.9 | -163.7 | 9.1 | 0 | 0 | 114.6 | D12 E13 E17 | D12-Q15 PolarHBondContact O-N 3.07Å; D12-Q15 VanDerWaalsContact OD1-CA 3.3Å; D12-Q15 WeakPolarHBondContact OD1-CA 3.27Å; D12-Q15 PolarHBondContact OD1-N 3.39Å; D12-Q15 WeakPolarHBondContact OD2-CA 3.4Å; E13-Q15 VanDerWaalsContact C-N 3.29Å; E13-Q15 PolarHBondContact O-N 2.88Å; Q15-E17 VanDerWaalsContact C-N 3.3Å | ||
| 16 | N | 88.6 | Confident | 89.5 | Confident | 67 Ų | 67 | 55 Ų | 55 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -92.8 | 8.2 | -179.4 | 65.6 | 24.5 | 0 | 0 | 0 | 112.5 | D12 Q14 T18 | D12-N16 PolarHBondContact OD1-N 3.33Å; D12-N16 PolarHBondContact OD1-OD1 3.25Å; Q14-N16 PolarHBondContact O-N 3.35Å; Q14-N16 PolarHBondContact OE1-ND2 2.88Å; N16-T18 VanDerWaalsContact CG-OG1 3.29Å; N16-T18 PolarHBondContact O-N 2.86Å; N16-T18 WeakPolarHBondContact OD1-CA 3.23Å; N16-T18 WeakPolarHBondContact OD1-CB 3.39Å; N16-T18 PolarHBondContact OD1-N 3.22Å; N16-T18 PolarHBondContact OD1-O 3.32Å; N16-T18 PolarHBondContact OD1-OG1 2.95Å |
| 17 | E | 90.9 | Very high | 89.9 | Confident | 63 Ų | 63 | 55.1 Ų | 55.1 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 60.6 | 22.3 | -176.7 | -64 | -163.9 | 159.9 | 0 | 0 | 113.7 | D12 Q15 F55 R70 | D12-E17 PolarHBondContact OD2-N 3.12Å; Q15-E17 VanDerWaalsContact C-N 3.3Å; E17-F55 HydrophobicContact CB-CB 3.77Å; E17-F55 HydrophobicContact CG-CB 4.3Å; E17-F55 WeakPolarHBondContact O-CB 3.47Å; E17-F55 PolarHBondContact O-N 3.13Å; E17-R70 IonicContact OE1-CZ 3.92Å; E17-R70 IonicContact OE1-NE 3.35Å; E17-R70 PolarHBondContact OE1-NE 2.98Å; E17-R70 IonicContact OE1-NH2 3.57Å; E17-R70 PolarHBondContact OE1-NH2 2.98Å; E17-R70 IonicContact OE2-CZ 2.74Å; E17-R70 IonicContact OE2-NE 2.86Å; E17-R70 IonicContact OE2-NH2 3.81Å; E17-R70 PolarHBondContact OE2-NH2 3.49Å |
| 18 | T | 93.5 | Very high | 90.1 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 25% | 0.245 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 148.4 | 176.1 | 67.5 | 0 | 0 | 0 | 0 | 111.8 | N16 I52 I53 T54 | N16-T18 VanDerWaalsContact CG-OG1 3.29Å; N16-T18 PolarHBondContact O-N 2.86Å; N16-T18 WeakPolarHBondContact OD1-CA 3.23Å; N16-T18 WeakPolarHBondContact OD1-CB 3.39Å; N16-T18 PolarHBondContact OD1-N 3.22Å; N16-T18 PolarHBondContact OD1-O 3.32Å; N16-T18 PolarHBondContact OD1-OG1 2.95Å; T18-I52 HydrophobicContact CG2-CG2 4.11Å; T18-I53 CarbonylContact C-O 3.15Å; T18-I53 WeakPolarHBondContact CA-O 3.45Å; T18-T54 HydrophobicContact CG2-CG2 4.4Å |
| 19 | I | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 122.3 | 173.6 | -66.6 | 167.8 | 0 | 0 | 0 | 108.1 | F8 I11 D12 E23 L24 W41 I53 | F8-I19 HydrophobicContact CB-CD1 4.29Å; F8-I19 HydrophobicContact CD1-CD1 4.03Å; F8-I19 HydrophobicContact CD2-CD1 3.33Å; F8-I19 HydrophobicContact CD2-CG1 4.33Å; F8-I19 HydrophobicContact CE1-CD1 4.11Å; F8-I19 HydrophobicContact CE1-CG1 4.32Å; F8-I19 HydrophobicContact CE2-CD1 3.44Å; F8-I19 VanDerWaalsContact CE2-CD1 3.44Å; F8-I19 HydrophobicContact CE2-CG1 3.97Å; F8-I19 HydrophobicContact CG-CD1 3.64Å; F8-I19 HydrophobicContact CZ-CD1 3.82Å; F8-I19 HydrophobicContact CZ-CG1 3.94Å; I11-I19 HydrophobicContact CB-CD1 3.7Å; I11-I19 HydrophobicContact CB-CG1 4.09Å; I11-I19 HydrophobicContact CB-CG2 4.4Å; I11-I19 HydrophobicContact CD1-CD1 4.12Å; I11-I19 HydrophobicContact CG2-CB 4.26Å; I11-I19 HydrophobicContact CG2-CD1 3.92Å; I11-I19 HydrophobicContact CG2-CG1 3.87Å; I11-I19 HydrophobicContact CG2-CG2 3.42Å; I11-I19 VanDerWaalsContact CG2-CG2 3.42Å; D12-I19 HydrophobicContact CB-CG1 4.09Å; I19-E23 HydrophobicContact CG2-CB 4.35Å; I19-L24 HydrophobicContact CG2-CB 4.06Å; I19-W41 HydrophobicContact CD1-CZ3 4.23Å; I19-I53 HydrophobicContact CB-CB 4.4Å; I19-I53 PolarHBondContact N-O 3.38Å; I19-I53 PolarHBondContact O-N 3.06Å |
| 20 | T | 93.5 | Very high | 90.2 | Very high | 49 Ų | 49 | 67.6 Ų | 67.6 | 30% | 0.301 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 157.9 | 170.6 | 64.6 | 0 | 0 | 0 | 0 | 111.2 | D22 E23 L24 | T20-D22 PolarHBondContact O-N 2.95Å; T20-E23 WeakPolarHBondContact CB-OE2 3.3Å; T20-E23 WeakPolarHBondContact CG2-OE2 3.34Å; T20-E23 PolarHBondContact N-OE2 2.92Å; T20-E23 PolarHBondContact O-N 3.49Å; T20-E23 VanDerWaalsContact OG1-CD 3.25Å; T20-E23 VanDerWaalsContact OG1-CG 3.28Å; T20-E23 WeakPolarHBondContact OG1-CG 3.46Å; T20-E23 PolarHBondContact OG1-N 3.28Å; T20-E23 PolarHBondContact OG1-OE2 3.26Å; T20-L24 PolarHBondContact O-N 3.37Å |
| 21 | R | 90.7 | Very high | 90.3 | Very high | 117 Ų | 117 | 69.5 Ų | 69.5 | 44% | 0.442 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -54.9 | -35.1 | 173 | -175.2 | 176.1 | 69.3 | -176.8 | 1 | 113.1 | R25 G51 | R21-R25 WeakPolarHBondContact O-CB 3.47Å; R21-R25 PolarHBondContact O-N 3.16Å; R21-G51 PolarHBondContact N-O 3.4Å |
| 22 | D | 92.4 | Very high | 90.2 | Very high | 86 Ų | 86 | 77.8 Ų | 77.8 | 46% | 0.46 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -76 | -34.8 | -177.7 | -68.1 | -24.4 | 0 | 0 | 0 | 112 | T20 R25 R26 | T20-D22 PolarHBondContact O-N 2.95Å; D22-R25 PolarHBondContact O-N 2.78Å; D22-R25 IonicContact OD1-CZ 3.3Å; D22-R25 IonicContact OD1-NH1 2.93Å; D22-R25 PolarHBondContact OD1-NH1 3.03Å; D22-R26 WeakPolarHBondContact O-CB 3.31Å; D22-R26 PolarHBondContact O-N 3.23Å |
| 23 | E | 92.5 | Very high | 90.2 | Very high | 18 Ų | 18 | 81 Ų | 81 | 8% | 0.084 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 170.7 | -73.6 | 160.9 | 151.3 | 0 | 0 | 111.3 | I11 I19 T20 R25 R26 Y27 | I11-E23 HydrophobicContact CG2-CB 3.89Å; I19-E23 HydrophobicContact CG2-CB 4.35Å; T20-E23 WeakPolarHBondContact CB-OE2 3.3Å; T20-E23 WeakPolarHBondContact CG2-OE2 3.34Å; T20-E23 PolarHBondContact N-OE2 2.92Å; T20-E23 PolarHBondContact O-N 3.49Å; T20-E23 VanDerWaalsContact OG1-CD 3.25Å; T20-E23 VanDerWaalsContact OG1-CG 3.28Å; T20-E23 WeakPolarHBondContact OG1-CG 3.46Å; T20-E23 PolarHBondContact OG1-N 3.28Å; T20-E23 PolarHBondContact OG1-OE2 3.26Å; E23-R25 PolarHBondContact O-N 2.91Å; E23-R26 WeakPolarHBondContact O-CB 3.4Å; E23-R26 PolarHBondContact O-N 3.16Å; E23-Y27 PolarHBondContact O-N 3.49Å |
| 24 | L | 93 | Very high | 90.7 | Very high | 2 Ų | 2 | 79.1 Ų | 79.1 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 175.5 | 178.6 | 62.2 | 0 | 0 | 0 | 111.7 | I11 I19 T20 R26 Y27 V28 M37 I38 W41 I53 | I11-L24 HydrophobicContact CD1-CD1 3.68Å; I19-L24 HydrophobicContact CG2-CB 4.06Å; T20-L24 PolarHBondContact O-N 3.37Å; L24-R26 VanDerWaalsContact C-N 3.33Å; L24-R26 PolarHBondContact O-N 2.86Å; L24-Y27 PolarHBondContact O-N 3.37Å; L24-V28 HydrophobicContact CD1-CG2 4.35Å; L24-V28 WeakPolarHBondContact O-CG2 3.39Å; L24-V28 PolarHBondContact O-N 3.47Å; L24-M37 HydrophobicContact CD1-CE 4.41Å; L24-I38 HydrophobicContact CD2-CG2 4.32Å; L24-I38 HydrophobicContact CG-CG1 4.42Å; L24-W41 HydrophobicContact CD1-CD2 4.14Å; L24-W41 HydrophobicContact CD1-CE3 4.02Å; L24-W41 HydrophobicContact CD1-CG 4.47Å; L24-W41 HydrophobicContact CD2-CB 3.66Å; L24-W41 HydrophobicContact CD2-CD2 4.44Å; L24-W41 HydrophobicContact CD2-CE3 4.35Å; L24-W41 HydrophobicContact CD2-CG 4.19Å; L24-I53 HydrophobicContact CD2-CD1 4.42Å |
| 25 | R | 93.2 | Very high | 91.1 | Very high | 100 Ų | 100 | 77.1 Ų | 77.1 | 38% | 0.377 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 176.8 | -170.3 | -175.7 | -63.6 | 119.2 | -0 | 111.6 | R21 D22 E23 Y27 V28 K29 I38 | R21-R25 WeakPolarHBondContact O-CB 3.47Å; R21-R25 PolarHBondContact O-N 3.16Å; D22-R25 PolarHBondContact O-N 2.78Å; D22-R25 IonicContact OD1-CZ 3.3Å; D22-R25 IonicContact OD1-NH1 2.93Å; D22-R25 PolarHBondContact OD1-NH1 3.03Å; E23-R25 PolarHBondContact O-N 2.91Å; R25-Y27 VanDerWaalsContact C-N 3.34Å; R25-V28 PolarHBondContact O-N 2.98Å; R25-K29 WeakPolarHBondContact O-CB 3.41Å; R25-K29 PolarHBondContact O-N 3.35Å; R25-I38 HydrophobicContact CB-CD1 3.93Å; R25-I38 HydrophobicContact CG-CD1 3.81Å |
| 26 | R | 92.6 | Very high | 91.5 | Very high | 140 Ų | 140 | 74.7 Ų | 74.7 | 53% | 0.528 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 176.5 | -168.4 | -175 | -56.6 | 123 | 6 | 110.9 | D22 E23 L24 K29 H30 | D22-R26 WeakPolarHBondContact O-CB 3.31Å; D22-R26 PolarHBondContact O-N 3.23Å; E23-R26 WeakPolarHBondContact O-CB 3.4Å; E23-R26 PolarHBondContact O-N 3.16Å; L24-R26 VanDerWaalsContact C-N 3.33Å; L24-R26 PolarHBondContact O-N 2.86Å; R26-K29 PolarHBondContact O-N 3.32Å; R26-H30 WeakPolarHBondContact O-CB 3.26Å; R26-H30 PolarHBondContact O-N 3.12Å |
| 27 | Y | 91.8 | Very high | 91.6 | Very high | 45 Ų | 45 | 72.9 Ų | 72.9 | 18% | 0.176 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63 | -46.6 | 177.8 | -178.2 | -94.4 | 0 | 0 | 0 | 112.6 | I7 A10 I11 E23 L24 R25 H30 N31 L33 | I7-Y27 HydrophobicContact CG2-CE1 3.88Å; A10-Y27 HydrophobicContact CB-CD2 4.46Å; A10-Y27 HydrophobicContact CB-CE2 3.6Å; I11-Y27 HydrophobicContact CD1-CD1 4.1Å; I11-Y27 HydrophobicContact CD1-CG 4.28Å; I11-Y27 HydrophobicContact CG1-CD1 3.75Å; I11-Y27 HydrophobicContact CG1-CD2 3.72Å; I11-Y27 HydrophobicContact CG1-CE1 4.26Å; I11-Y27 HydrophobicContact CG1-CE2 4.25Å; I11-Y27 HydrophobicContact CG1-CG 3.45Å; I11-Y27 VanDerWaalsContact CG1-CG 3.45Å; E23-Y27 PolarHBondContact O-N 3.49Å; L24-Y27 PolarHBondContact O-N 3.37Å; R25-Y27 VanDerWaalsContact C-N 3.34Å; Y27-H30 PolarHBondContact O-N 2.71Å; Y27-N31 WeakPolarHBondContact CD2-ND2 3.29Å; Y27-N31 VanDerWaalsContact CE2-ND2 3.31Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.28Å; Y27-N31 WeakPolarHBondContact O-CB 3.41Å; Y27-N31 PolarHBondContact O-N 3.22Å; Y27-N31 PolarHBondContact O-ND2 3.03Å; Y27-L33 HydrophobicContact CD1-CD1 4.01Å; Y27-L33 HydrophobicContact CE1-CD1 3.61Å |
| 28 | V | 92.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.3 | -48.4 | 177.4 | 167.4 | 0 | 0 | 0 | 0 | 110.9 | L24 R25 N31 H32 L33 M37 I38 | L24-V28 HydrophobicContact CD1-CG2 4.35Å; L24-V28 WeakPolarHBondContact O-CG2 3.39Å; L24-V28 PolarHBondContact O-N 3.47Å; R25-V28 PolarHBondContact O-N 2.98Å; V28-N31 PolarHBondContact O-N 3.04Å; V28-H32 PolarHBondContact O-N 2.8Å; V28-H32 VanDerWaalsContact O-N 3.14Å; V28-L33 HydrophobicContact CB-CB 4.47Å; V28-L33 HydrophobicContact CG1-CB 4.11Å; V28-L33 PolarHBondContact O-N 3.21Å; V28-M37 HydrophobicContact CG2-CB 4.28Å; V28-M37 HydrophobicContact CG2-CG 4.36Å; V28-M37 HydrophobicContact CG2-SD 4.01Å; V28-I38 HydrophobicContact CB-CD1 4.5Å; V28-I38 HydrophobicContact CB-CG1 4.41Å; V28-I38 HydrophobicContact CG1-CD1 4.49Å; V28-I38 HydrophobicContact CG1-CG1 4.49Å; V28-I38 HydrophobicContact CG2-CG1 3.98Å |
| 29 | K | 91.8 | Very high | 91.5 | Very high | 159 Ų | 159 | 73.1 Ų | 73.1 | 69% | 0.691 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.5 | -43.9 | 178.4 | -174.3 | 179 | -179 | -179.3 | 0 | 112.5 | R25 R26 H32 | R25-K29 WeakPolarHBondContact O-CB 3.41Å; R25-K29 PolarHBondContact O-N 3.35Å; R26-K29 PolarHBondContact O-N 3.32Å; K29-H32 PolarHBondContact O-N 3.2Å |
| 30 | H | 90.5 | Very high | 91.4 | Very high | 147 Ų | 147 | 81 Ų | 81 | 68% | 0.681 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -66.8 | -36.5 | -178 | -176.2 | 74.1 | 0 | 0 | 0 | 112.5 | R26 Y27 | R26-H30 WeakPolarHBondContact O-CB 3.26Å; R26-H30 PolarHBondContact O-N 3.12Å; Y27-H30 PolarHBondContact O-N 2.71Å |
| 31 | N | 89.1 | Confident | 91.4 | Very high | 69 Ų | 69 | 79.1 Ų | 79.1 | 37% | 0.369 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 8.8 | -178.7 | -66.6 | -84.6 | 0 | 0 | 0 | 113.4 | Y27 V28 L33 | Y27-N31 WeakPolarHBondContact CD2-ND2 3.29Å; Y27-N31 VanDerWaalsContact CE2-ND2 3.31Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.28Å; Y27-N31 WeakPolarHBondContact O-CB 3.41Å; Y27-N31 PolarHBondContact O-N 3.22Å; Y27-N31 PolarHBondContact O-ND2 3.03Å; V28-N31 PolarHBondContact O-N 3.04Å; N31-L33 HydrophobicContact CB-CD1 3.99Å; N31-L33 HydrophobicContact CB-CD2 4.36Å; N31-L33 HydrophobicContact CB-CG 3.78Å; N31-L33 PolarHBondContact O-N 2.82Å |
| 32 | H | 89 | Confident | 91.4 | Very high | 177 Ų | 177 | 75.7 Ų | 75.7 | 82% | 0.819 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 40.4 | -177.9 | -56.4 | -69.7 | 0 | 0 | 0 | 113.6 | V28 K29 | V28-H32 PolarHBondContact O-N 2.8Å; V28-H32 VanDerWaalsContact O-N 3.14Å; K29-H32 PolarHBondContact O-N 3.2Å |
| 33 | L | 90 | Very high | 91.3 | Very high | 69 Ų | 69 | 76 Ų | 76 | 36% | 0.361 | 36% | 0.363 | S | S | . | . | trans | -85.2 | 164.1 | 179.9 | -57.9 | 176.3 | 0 | 0 | 0 | 111.1 | Y27 V28 N31 E35 M37 | Y27-L33 HydrophobicContact CD1-CD1 4.01Å; Y27-L33 HydrophobicContact CE1-CD1 3.61Å; V28-L33 HydrophobicContact CB-CB 4.47Å; V28-L33 HydrophobicContact CG1-CB 4.11Å; V28-L33 PolarHBondContact O-N 3.21Å; N31-L33 HydrophobicContact CB-CD1 3.99Å; N31-L33 HydrophobicContact CB-CD2 4.36Å; N31-L33 HydrophobicContact CB-CG 3.78Å; N31-L33 PolarHBondContact O-N 2.82Å; L33-E35 PolarHBondContact O-N 3.42Å; L33-M37 HydrophobicContact CB-SD 4.47Å; L33-M37 HydrophobicContact CD1-SD 3.86Å | ||
| 34 | D | 90.6 | Very high | 91.3 | Very high | 99 Ų | 99 | 79.6 Ų | 79.6 | 53% | 0.529 | 38% | 0.383 | S | S | . | . | trans | -62.3 | 123.8 | 173.9 | 174.9 | 29.6 | 0 | 0 | 0 | 110.9 | G36 M37 | D34-G36 PolarHBondContact O-N 3.27Å; D34-G36 VanDerWaalsContact O-N 3.15Å; D34-G36 PolarHBondContact OD1-N 2.83Å; D34-G36 VanDerWaalsContact OD1-N 3.08Å; D34-M37 WeakPolarHBondContact O-CB 3.38Å; D34-M37 PolarHBondContact O-N 2.86Å | ||
| 35 | E | 90.3 | Very high | 91.3 | Very high | 99 Ų | 99 | 79.9 Ų | 79.9 | 46% | 0.463 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -25.1 | 176 | -70.6 | -69.7 | 154.1 | 0 | 0 | 112.1 | L33 M37 I38 | L33-E35 PolarHBondContact O-N 3.42Å; E35-M37 PolarHBondContact O-N 2.82Å; E35-M37 VanDerWaalsContact O-N 3.12Å; E35-I38 WeakPolarHBondContact O-CB 3.17Å; E35-I38 PolarHBondContact O-N 3.26Å; E35-I38 WeakPolarHBondContact OE2-CD1 3.42Å |
| 36 | G | 91.4 | Very high | 91.2 | Very high | 23 Ų | 23 | 75.6 Ų | 75.6 | 24% | 0.237 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.2 | -21.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114 | D34 I38 T39 R40 | D34-G36 PolarHBondContact O-N 3.27Å; D34-G36 VanDerWaalsContact O-N 3.15Å; D34-G36 PolarHBondContact OD1-N 2.83Å; D34-G36 VanDerWaalsContact OD1-N 3.08Å; G36-I38 VanDerWaalsContact C-N 3.26Å; G36-I38 PolarHBondContact O-N 2.73Å; G36-T39 PolarHBondContact O-N 3.31Å; G36-R40 WeakPolarHBondContact O-CG 3.36Å; G36-R40 PolarHBondContact O-N 3.37Å; G36-R40 VanDerWaalsContact O-N 3.13Å |
| 37 | M | 90.9 | Very high | 91 | Very high | 28 Ų | 28 | 73 Ų | 73 | 14% | 0.138 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.5 | -37.5 | 173 | -176.4 | 175.4 | 169.1 | 0 | 0 | 112 | I7 L24 V28 L33 D34 E35 R40 W41 | I7-M37 HydrophobicContact CG2-CE 3.8Å; L24-M37 HydrophobicContact CD1-CE 4.41Å; V28-M37 HydrophobicContact CG2-CB 4.28Å; V28-M37 HydrophobicContact CG2-CG 4.36Å; V28-M37 HydrophobicContact CG2-SD 4.01Å; L33-M37 HydrophobicContact CB-SD 4.47Å; L33-M37 HydrophobicContact CD1-SD 3.86Å; D34-M37 WeakPolarHBondContact O-CB 3.38Å; D34-M37 PolarHBondContact O-N 2.86Å; E35-M37 PolarHBondContact O-N 2.82Å; E35-M37 VanDerWaalsContact O-N 3.12Å; M37-R40 PolarHBondContact O-N 2.78Å; M37-W41 HydrophobicContact CE-CD2 4.34Å; M37-W41 HydrophobicContact CE-CZ2 3.67Å; M37-W41 HydrophobicContact CG-CG 4.47Å; M37-W41 WeakPolarHBondContact O-CB 3.43Å; M37-W41 VanDerWaalsContact O-CD1 3.22Å; M37-W41 PolarHBondContact O-N 3.03Å |
| 38 | I | 91 | Very high | 90.8 | Very high | 13 Ų | 13 | 76.3 Ų | 76.3 | 7% | 0.067 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.2 | -51 | -179 | -58 | 176.4 | 0 | 0 | 0 | 109.9 | L24 R25 V28 E35 G36 R40 W41 Q42 | L24-I38 HydrophobicContact CD2-CG2 4.32Å; L24-I38 HydrophobicContact CG-CG1 4.42Å; R25-I38 HydrophobicContact CB-CD1 3.93Å; R25-I38 HydrophobicContact CG-CD1 3.81Å; V28-I38 HydrophobicContact CB-CD1 4.5Å; V28-I38 HydrophobicContact CB-CG1 4.41Å; V28-I38 HydrophobicContact CG1-CD1 4.49Å; V28-I38 HydrophobicContact CG1-CG1 4.49Å; V28-I38 HydrophobicContact CG2-CG1 3.98Å; E35-I38 WeakPolarHBondContact O-CB 3.17Å; E35-I38 PolarHBondContact O-N 3.26Å; E35-I38 WeakPolarHBondContact OE2-CD1 3.42Å; G36-I38 VanDerWaalsContact C-N 3.26Å; G36-I38 PolarHBondContact O-N 2.73Å; I38-R40 VanDerWaalsContact C-N 3.31Å; I38-R40 PolarHBondContact O-N 2.95Å; I38-W41 PolarHBondContact O-N 2.91Å; I38-Q42 VanDerWaalsContact O-CG 3.3Å; I38-Q42 WeakPolarHBondContact O-CG 3.47Å; I38-Q42 PolarHBondContact O-N 3.49Å |
| 39 | T | 91.6 | Very high | 90.6 | Very high | 95 Ų | 95 | 81.9 Ų | 81.9 | 58% | 0.583 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61.4 | -40.6 | 179.3 | -50.4 | 0 | 0 | 0 | 0 | 111.7 | G36 S43 | G36-T39 PolarHBondContact O-N 3.31Å; T39-S43 WeakPolarHBondContact O-CB 3.39Å; T39-S43 PolarHBondContact O-N 3.38Å |
| 40 | R | 91.7 | Very high | 90.5 | Very high | 165 Ų | 165 | 77.8 Ų | 77.8 | 62% | 0.623 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.5 | -46.2 | 177.2 | -71.4 | 175.9 | -173.9 | 163.8 | 7.1 | 111.6 | G36 M37 I38 S43 L44 | G36-R40 WeakPolarHBondContact O-CG 3.36Å; G36-R40 PolarHBondContact O-N 3.37Å; G36-R40 VanDerWaalsContact O-N 3.13Å; M37-R40 PolarHBondContact O-N 2.78Å; I38-R40 VanDerWaalsContact C-N 3.31Å; I38-R40 PolarHBondContact O-N 2.95Å; R40-S43 PolarHBondContact O-N 3.5Å; R40-L44 WeakPolarHBondContact O-CB 3.3Å; R40-L44 VanDerWaalsContact O-CG 3.26Å; R40-L44 WeakPolarHBondContact O-CG 3.25Å; R40-L44 PolarHBondContact O-N 3.35Å |
| 41 | W | 92.2 | Very high | 90.5 | Very high | 10 Ų | 10 | 72.1 Ų | 72.1 | 4% | 0.038 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 179.5 | -86.2 | 54.1 | 0 | 0 | 0 | 112.1 | I7 I11 I19 L24 M37 I38 L44 F45 I53 F58 | I7-W41 HydrophobicContact CB-CH2 4.18Å; I7-W41 HydrophobicContact CB-CZ2 4.18Å; I7-W41 HydrophobicContact CG2-CH2 3.58Å; I7-W41 HydrophobicContact CG2-CZ2 3.56Å; I11-W41 HydrophobicContact CD1-CE3 4.5Å; I11-W41 HydrophobicContact CD1-CH2 3.86Å; I11-W41 HydrophobicContact CD1-CZ3 3.79Å; I19-W41 HydrophobicContact CD1-CZ3 4.23Å; L24-W41 HydrophobicContact CD1-CD2 4.14Å; L24-W41 HydrophobicContact CD1-CE3 4.02Å; L24-W41 HydrophobicContact CD1-CG 4.47Å; L24-W41 HydrophobicContact CD2-CB 3.66Å; L24-W41 HydrophobicContact CD2-CD2 4.44Å; L24-W41 HydrophobicContact CD2-CE3 4.35Å; L24-W41 HydrophobicContact CD2-CG 4.19Å; M37-W41 HydrophobicContact CE-CD2 4.34Å; M37-W41 HydrophobicContact CE-CZ2 3.67Å; M37-W41 HydrophobicContact CG-CG 4.47Å; M37-W41 WeakPolarHBondContact O-CB 3.43Å; M37-W41 VanDerWaalsContact O-CD1 3.22Å; M37-W41 PolarHBondContact O-N 3.03Å; I38-W41 PolarHBondContact O-N 2.91Å; W41-L44 PolarHBondContact O-N 2.8Å; W41-F45 HydrophobicContact CB-CD2 4.05Å; W41-F45 HydrophobicContact CB-CE2 4.43Å; W41-F45 AromaticContact CD2-CD2 3.93Å; W41-F45 HydrophobicContact CD2-CD2 3.93Å; W41-F45 AromaticContact CD2-CE2 3.78Å; W41-F45 HydrophobicContact CD2-CE2 3.78Å; W41-F45 AromaticContact CE3-CD2 3.98Å; W41-F45 HydrophobicContact CE3-CD2 3.98Å; W41-F45 HydrophobicContact CE3-CE2 4.13Å; W41-F45 AromaticContact CG-CD2 4Å; W41-F45 HydrophobicContact CG-CD2 4Å; W41-F45 AromaticContact CG-CE2 3.93Å; W41-F45 HydrophobicContact CG-CE2 3.93Å; W41-F45 WeakPolarHBondContact O-CB 3.29Å; W41-F45 VanDerWaalsContact O-CD2 3.31Å; W41-F45 WeakPolarHBondContact O-CD2 3.43Å; W41-F45 PolarHBondContact O-N 2.81Å; W41-I53 HydrophobicContact CB-CD1 4.24Å; W41-I53 HydrophobicContact CE3-CD1 4.06Å; W41-F58 HydrophobicContact CE3-CE2 4.16Å; W41-F58 AromaticContact CH2-CE2 3.48Å; W41-F58 HydrophobicContact CH2-CE2 3.48Å; W41-F58 VanDerWaalsContact CH2-CE2 3.48Å; W41-F58 AromaticContact CH2-CZ 3.78Å; W41-F58 HydrophobicContact CH2-CZ 3.78Å; W41-F58 HydrophobicContact CZ2-CE2 4.05Å; W41-F58 HydrophobicContact CZ2-CZ 4.31Å; W41-F58 HydrophobicContact CZ3-CD2 4.24Å; W41-F58 AromaticContact CZ3-CE2 3.55Å; W41-F58 HydrophobicContact CZ3-CE2 3.55Å; W41-F58 HydrophobicContact CZ3-CZ 4.26Å |
| 42 | Q | 90.9 | Very high | 90.7 | Very high | 46 Ų | 46 | 72.6 Ų | 72.6 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.6 | -49.8 | 173.6 | -73.2 | 173.8 | -30 | 0 | 0 | 111.7 | I38 L44 D46 | I38-Q42 VanDerWaalsContact O-CG 3.3Å; I38-Q42 WeakPolarHBondContact O-CG 3.47Å; I38-Q42 PolarHBondContact O-N 3.49Å; Q42-L44 VanDerWaalsContact C-N 3.32Å; Q42-L44 PolarHBondContact O-N 3.14Å; Q42-D46 CarbonylContact O-C 3.6Å; Q42-D46 WeakPolarHBondContact O-CA 3.33Å; Q42-D46 PolarHBondContact O-N 2.68Å |
| 43 | S | 91.3 | Very high | 90.9 | Very high | 91 Ų | 91 | 64.6 Ų | 64.6 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -60.4 | -40.3 | 179.8 | -177.7 | 0 | 0 | 0 | 0 | 112.8 | T39 R40 | T39-S43 WeakPolarHBondContact O-CB 3.39Å; T39-S43 PolarHBondContact O-N 3.38Å; R40-S43 PolarHBondContact O-N 3.5Å |
| 44 | L | 91.9 | Very high | 91.1 | Very high | 95 Ų | 95 | 64.1 Ų | 64.1 | 50% | 0.497 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -80.1 | -44.2 | -177 | -68.2 | 172.2 | 0 | 0 | 0 | 113 | R40 W41 Q42 V61 | R40-L44 WeakPolarHBondContact O-CB 3.3Å; R40-L44 VanDerWaalsContact O-CG 3.26Å; R40-L44 WeakPolarHBondContact O-CG 3.25Å; R40-L44 PolarHBondContact O-N 3.35Å; W41-L44 PolarHBondContact O-N 2.8Å; Q42-L44 VanDerWaalsContact C-N 3.32Å; Q42-L44 PolarHBondContact O-N 3.14Å; L44-V61 WeakPolarHBondContact O-CG2 3.5Å |
| 45 | F | 92.7 | Very high | 91.2 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.035 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -112.8 | -15.1 | -165.1 | -50.3 | -64.4 | 0 | 0 | 0 | 114.6 | W41 P47 I53 K57 F58 V61 L62 | W41-F45 HydrophobicContact CB-CD2 4.05Å; W41-F45 HydrophobicContact CB-CE2 4.43Å; W41-F45 AromaticContact CD2-CD2 3.93Å; W41-F45 HydrophobicContact CD2-CD2 3.93Å; W41-F45 AromaticContact CD2-CE2 3.78Å; W41-F45 HydrophobicContact CD2-CE2 3.78Å; W41-F45 AromaticContact CE3-CD2 3.98Å; W41-F45 HydrophobicContact CE3-CD2 3.98Å; W41-F45 HydrophobicContact CE3-CE2 4.13Å; W41-F45 AromaticContact CG-CD2 4Å; W41-F45 HydrophobicContact CG-CD2 4Å; W41-F45 AromaticContact CG-CE2 3.93Å; W41-F45 HydrophobicContact CG-CE2 3.93Å; W41-F45 WeakPolarHBondContact O-CB 3.29Å; W41-F45 VanDerWaalsContact O-CD2 3.31Å; W41-F45 WeakPolarHBondContact O-CD2 3.43Å; W41-F45 PolarHBondContact O-N 2.81Å; F45-P47 VanDerWaalsContact C-CD 3.4Å; F45-I53 HydrophobicContact CB-CB 4.4Å; F45-I53 HydrophobicContact CB-CD1 4.12Å; F45-I53 HydrophobicContact CB-CG1 4.03Å; F45-I53 HydrophobicContact CB-CG2 3.52Å; F45-I53 HydrophobicContact CG-CG2 4.33Å; F45-K57 VanDerWaalsContact O-CG 3.23Å; F45-K57 WeakPolarHBondContact O-CG 3.19Å; F45-F58 AromaticContact CD1-CD2 3.61Å; F45-F58 HydrophobicContact CD1-CD2 3.61Å; F45-F58 HydrophobicContact CD1-CE2 4.21Å; F45-F58 HydrophobicContact CD1-CG 4.33Å; F45-F58 AromaticContact CD2-CD2 3.85Å; F45-F58 HydrophobicContact CD2-CD2 3.85Å; F45-F58 AromaticContact CD2-CE2 3.93Å; F45-F58 HydrophobicContact CD2-CE2 3.93Å; F45-F58 AromaticContact CE1-CD2 3.59Å; F45-F58 HydrophobicContact CE1-CD2 3.59Å; F45-F58 AromaticContact CE1-CE2 3.8Å; F45-F58 HydrophobicContact CE1-CE2 3.8Å; F45-F58 HydrophobicContact CE1-CG 4.32Å; F45-F58 AromaticContact CE2-CD2 3.86Å; F45-F58 HydrophobicContact CE2-CD2 3.86Å; F45-F58 AromaticContact CE2-CE2 3.52Å; F45-F58 HydrophobicContact CE2-CE2 3.52Å; F45-F58 AromaticContact CG-CD2 3.74Å; F45-F58 HydrophobicContact CG-CD2 3.74Å; F45-F58 HydrophobicContact CG-CE2 4.27Å; F45-F58 AromaticContact CZ-CD2 3.73Å; F45-F58 HydrophobicContact CZ-CD2 3.73Å; F45-F58 AromaticContact CZ-CE2 3.44Å; F45-F58 HydrophobicContact CZ-CE2 3.44Å; F45-F58 VanDerWaalsContact CZ-CE2 3.44Å; F45-F58 HydrophobicContact CZ-CZ 4.28Å; F45-V61 HydrophobicContact CD1-CB 3.8Å; F45-V61 HydrophobicContact CD1-CG1 3.84Å; F45-V61 HydrophobicContact CD1-CG2 4.12Å; F45-V61 HydrophobicContact CE1-CB 3.8Å; F45-V61 HydrophobicContact CE1-CG1 3.57Å; F45-L62 HydrophobicContact CE1-CD2 4.36Å; F45-L62 HydrophobicContact CE1-CG 4.34Å; F45-L62 HydrophobicContact CZ-CD2 4.36Å |
| 46 | D | 92.1 | Very high | 91.2 | Very high | 9 Ų | 9 | 58.8 Ų | 58.8 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | trans | -128.3 | 60.9 | 173.3 | -177.4 | 26.4 | 0 | 0 | 0 | 111.1 | Q42 T48 N49 S50 G51 I53 | Q42-D46 CarbonylContact O-C 3.6Å; Q42-D46 WeakPolarHBondContact O-CA 3.33Å; Q42-D46 PolarHBondContact O-N 2.68Å; D46-T48 PolarHBondContact O-N 3.42Å; D46-T48 VanDerWaalsContact O-N 3.12Å; D46-T48 PolarHBondContact OD1-OG1 3.39Å; D46-N49 PolarHBondContact O-N 3.1Å; D46-N49 PolarHBondContact OD1-N 3.44Å; D46-N49 WeakPolarHBondContact OD2-CA 3.48Å; D46-S50 VanDerWaalsContact CG-N 3.31Å; D46-S50 WeakPolarHBondContact OD1-CB 3.35Å; D46-S50 PolarHBondContact OD1-N 2.96Å; D46-S50 PolarHBondContact OD1-OG 3.16Å; D46-S50 PolarHBondContact OD2-N 3.07Å; D46-G51 WeakPolarHBondContact OD2-CA 3.33Å; D46-G51 PolarHBondContact OD2-N 2.9Å; D46-I53 HydrophobicContact CB-CG1 3.99Å | ||
| 47 | P | 87.6 | Confident | 91.2 | Very high | 85 Ų | 85 | 61.4 Ų | 61.4 | 55% | 0.552 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -20.6 | -177.4 | 27.3 | -36.1 | 0 | 0 | 0 | 113 | F45 N49 | F45-P47 VanDerWaalsContact C-CD 3.4Å; P47-N49 VanDerWaalsContact C-N 3.28Å |
| 48 | T | 88.6 | Confident | 91.3 | Very high | 116 Ų | 116 | 60.1 Ų | 60.1 | 71% | 0.712 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -4.8 | 175.2 | 47.2 | 0 | 0 | 0 | 0 | 113.3 | D46 S50 | D46-T48 PolarHBondContact O-N 3.42Å; D46-T48 VanDerWaalsContact O-N 3.12Å; D46-T48 PolarHBondContact OD1-OG1 3.39Å; T48-S50 PolarHBondContact O-N 3.03Å |
| 49 | N | 87.2 | Confident | 91.3 | Very high | 117 Ų | 117 | 59.5 Ų | 59.5 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | trans | 50.7 | 42.6 | -175.7 | -168.3 | 44 | 0 | 0 | 0 | 112.5 | D46 P47 G51 | D46-N49 PolarHBondContact O-N 3.1Å; D46-N49 PolarHBondContact OD1-N 3.44Å; D46-N49 WeakPolarHBondContact OD2-CA 3.48Å; P47-N49 VanDerWaalsContact C-N 3.28Å; N49-G51 PolarHBondContact O-N 3.26Å | ||
| 50 | S | 90.6 | Very high | 91.3 | Very high | 73 Ų | 73 | 59.2 Ų | 59.2 | 51% | 0.51 | 32% | 0.324 | S | S | . | . | trans | -69.9 | -19.9 | 176.7 | 67.1 | 0 | 0 | 0 | 0 | 112.4 | D46 T48 I52 | D46-S50 VanDerWaalsContact CG-N 3.31Å; D46-S50 WeakPolarHBondContact OD1-CB 3.35Å; D46-S50 PolarHBondContact OD1-N 2.96Å; D46-S50 PolarHBondContact OD1-OG 3.16Å; D46-S50 PolarHBondContact OD2-N 3.07Å; T48-S50 PolarHBondContact O-N 3.03Å; S50-I52 VanDerWaalsContact C-N 3.29Å; S50-I52 PolarHBondContact OG-N 3.45Å; S50-I52 PolarHBondContact OG-O 3.28Å | ||
| 51 | G | 90.5 | Very high | 91.2 | Very high | 27 Ų | 27 | 54.2 Ų | 54.2 | 28% | 0.278 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 85.6 | -1.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R21 D46 N49 | R21-G51 PolarHBondContact N-O 3.4Å; D46-G51 WeakPolarHBondContact OD2-CA 3.33Å; D46-G51 PolarHBondContact OD2-N 2.9Å; N49-G51 PolarHBondContact O-N 3.26Å |
| 52 | I | 93.4 | Very high | 91.1 | Very high | 80 Ų | 80 | 56.3 Ų | 56.3 | 41% | 0.41 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 127.4 | -176.1 | -60.8 | 168.7 | 0 | 0 | 0 | 109.6 | T18 S50 T54 | T18-I52 HydrophobicContact CG2-CG2 4.11Å; S50-I52 VanDerWaalsContact C-N 3.29Å; S50-I52 PolarHBondContact OG-N 3.45Å; S50-I52 PolarHBondContact OG-O 3.28Å; I52-T54 HydrophobicContact CG2-CG2 4.38Å |
| 53 | I | 93.3 | Very high | 91 | Very high | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 115.1 | 170.6 | -62.2 | 168.8 | 0 | 0 | 0 | 107.9 | F8 T18 I19 L24 W41 F45 D46 F58 | F8-I53 HydrophobicContact CE2-CG2 4.22Å; T18-I53 CarbonylContact C-O 3.15Å; T18-I53 WeakPolarHBondContact CA-O 3.45Å; I19-I53 HydrophobicContact CB-CB 4.4Å; I19-I53 PolarHBondContact N-O 3.38Å; I19-I53 PolarHBondContact O-N 3.06Å; L24-I53 HydrophobicContact CD2-CD1 4.42Å; W41-I53 HydrophobicContact CB-CD1 4.24Å; W41-I53 HydrophobicContact CE3-CD1 4.06Å; F45-I53 HydrophobicContact CB-CB 4.4Å; F45-I53 HydrophobicContact CB-CD1 4.12Å; F45-I53 HydrophobicContact CB-CG1 4.03Å; F45-I53 HydrophobicContact CB-CG2 3.52Å; F45-I53 HydrophobicContact CG-CG2 4.33Å; D46-I53 HydrophobicContact CB-CG1 3.99Å; I53-F58 HydrophobicContact CG2-CB 4.42Å; I53-F58 HydrophobicContact CG2-CD2 4.33Å |
| 54 | T | 93.2 | Very high | 90.8 | Very high | 60 Ų | 60 | 53.9 Ų | 53.9 | 37% | 0.368 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 147.8 | 176.7 | 65.4 | 0 | 0 | 0 | 0 | 111 | T18 I52 Q56 K57 F58 | T18-T54 HydrophobicContact CG2-CG2 4.4Å; I52-T54 HydrophobicContact CG2-CG2 4.38Å; T54-Q56 PolarHBondContact O-N 3.42Å; T54-K57 PolarHBondContact O-N 2.9Å; T54-K57 VanDerWaalsContact OG1-CB 3.27Å; T54-K57 WeakPolarHBondContact OG1-CB 3.44Å; T54-K57 PolarHBondContact OG1-N 3.12Å; T54-F58 WeakPolarHBondContact O-CB 3.3Å; T54-F58 PolarHBondContact O-N 3.34Å |
| 55 | F | 92.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.9 | -37.2 | 177.1 | -176 | -115.9 | 0 | 0 | 0 | 112.4 | F8 F9 E17 F58 C59 A69 R70 | F8-F55 AromaticContact CD1-CD2 3.61Å; F8-F55 HydrophobicContact CD1-CD2 3.61Å; F8-F55 HydrophobicContact CD1-CE2 4.18Å; F8-F55 HydrophobicContact CD2-CD2 4.39Å; F8-F55 HydrophobicContact CE1-CB 3.87Å; F8-F55 AromaticContact CE1-CD2 3.51Å; F8-F55 HydrophobicContact CE1-CD2 3.51Å; F8-F55 HydrophobicContact CE1-CE2 4.45Å; F8-F55 HydrophobicContact CE1-CG 4.09Å; F8-F55 HydrophobicContact CE2-CB 4.34Å; F8-F55 HydrophobicContact CE2-CD2 4.28Å; F8-F55 HydrophobicContact CG-CD2 4.09Å; F8-F55 HydrophobicContact CZ-CB 3.62Å; F8-F55 AromaticContact CZ-CD2 3.88Å; F8-F55 HydrophobicContact CZ-CD2 3.88Å; F8-F55 HydrophobicContact CZ-CG 4.25Å; F9-F55 HydrophobicContact CD1-CE2 4.39Å; F9-F55 HydrophobicContact CE1-CD2 4.23Å; F9-F55 AromaticContact CE1-CE2 3.37Å; F9-F55 HydrophobicContact CE1-CE2 3.37Å; F9-F55 AromaticContact CE1-CZ 3.73Å; F9-F55 HydrophobicContact CE1-CZ 3.73Å; F9-F55 AromaticContact CZ-CE2 3.88Å; F9-F55 HydrophobicContact CZ-CE2 3.88Å; F9-F55 AromaticContact CZ-CZ 3.96Å; F9-F55 HydrophobicContact CZ-CZ 3.96Å; E17-F55 HydrophobicContact CB-CB 3.77Å; E17-F55 HydrophobicContact CG-CB 4.3Å; E17-F55 WeakPolarHBondContact O-CB 3.47Å; E17-F55 PolarHBondContact O-N 3.13Å; F55-F58 WeakPolarHBondContact O-CB 3.42Å; F55-F58 PolarHBondContact O-N 3.19Å; F55-C59 VanDerWaalsContact CZ-SG 3.56Å; F55-C59 WeakPolarHBondContact O-CB 3.07Å; F55-C59 PolarHBondContact O-N 3.31Å; F55-C59 PolarHBondContact O-SG 2.67Å; F55-A69 HydrophobicContact CE1-CB 4.19Å; F55-A69 HydrophobicContact CE2-CB 4.26Å; F55-A69 HydrophobicContact CZ-CB 3.44Å; F55-A69 VanDerWaalsContact CZ-CB 3.44Å; F55-R70 HydrophobicContact CE1-CG 3.93Å |
| 56 | Q | 91.2 | Very high | 90.4 | Very high | 84 Ų | 84 | 56.5 Ų | 56.5 | 39% | 0.393 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.3 | -52.5 | 175.3 | -175.3 | 60.6 | 51.8 | 0 | 0 | 110.9 | T54 F58 C59 D60 P66 | T54-Q56 PolarHBondContact O-N 3.42Å; Q56-F58 VanDerWaalsContact C-N 3.27Å; Q56-F58 PolarHBondContact O-N 2.95Å; Q56-C59 PolarHBondContact O-N 3.26Å; Q56-D60 PolarHBondContact NE2-OD1 3.14Å; Q56-D60 PolarHBondContact O-N 3.41Å; Q56-P66 VanDerWaalsContact NE2-CG 3.29Å; Q56-P66 VanDerWaalsContact OE1-CG 3.29Å |
| 57 | K | 90.9 | Very high | 90.1 | Very high | 79 Ų | 79 | 61.8 Ų | 61.8 | 34% | 0.343 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 179.9 | -176.7 | 58.2 | 178.1 | 178.9 | 0 | 111.9 | F45 T54 D60 V61 | F45-K57 VanDerWaalsContact O-CG 3.23Å; F45-K57 WeakPolarHBondContact O-CG 3.19Å; T54-K57 PolarHBondContact O-N 2.9Å; T54-K57 VanDerWaalsContact OG1-CB 3.27Å; T54-K57 WeakPolarHBondContact OG1-CB 3.44Å; T54-K57 PolarHBondContact OG1-N 3.12Å; K57-D60 PolarHBondContact O-N 2.99Å; K57-V61 HydrophobicContact CD-CG2 4.32Å; K57-V61 VanDerWaalsContact O-CG2 3.3Å; K57-V61 WeakPolarHBondContact O-CG2 3.41Å; K57-V61 PolarHBondContact O-N 2.9Å |
| 58 | F | 92.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 175.8 | -171.3 | -95.3 | 0 | 0 | 0 | 111.9 | F4 V5 F8 W41 F45 I53 T54 F55 Q56 V61 L62 | F4-F58 HydrophobicContact CB-CE1 4.42Å; F4-F58 HydrophobicContact CB-CZ 3.92Å; F4-F58 VanDerWaalsContact O-CZ 3.28Å; F4-F58 WeakPolarHBondContact O-CZ 3.32Å; V5-F58 HydrophobicContact CG2-CE1 4.29Å; F8-F58 HydrophobicContact CB-CD1 4.14Å; F8-F58 HydrophobicContact CB-CE1 3.75Å; F8-F58 HydrophobicContact CB-CE2 4.49Å; F8-F58 HydrophobicContact CB-CZ 3.94Å; F8-F58 HydrophobicContact CD2-CB 3.92Å; F8-F58 AromaticContact CD2-CD1 3.76Å; F8-F58 HydrophobicContact CD2-CD1 3.76Å; F8-F58 AromaticContact CD2-CD2 3.74Å; F8-F58 HydrophobicContact CD2-CD2 3.74Å; F8-F58 HydrophobicContact CD2-CE1 4.14Å; F8-F58 HydrophobicContact CD2-CE2 4.12Å; F8-F58 AromaticContact CD2-CG 3.52Å; F8-F58 HydrophobicContact CD2-CG 3.52Å; F8-F58 HydrophobicContact CD2-CZ 4.3Å; F8-F58 HydrophobicContact CE2-CB 3.96Å; F8-F58 HydrophobicContact CE2-CD2 4.39Å; F8-F58 HydrophobicContact CE2-CG 4.08Å; F8-F58 HydrophobicContact CG-CD1 4.17Å; F8-F58 HydrophobicContact CG-CE1 4.28Å; F8-F58 HydrophobicContact CG-CG 4.38Å; W41-F58 HydrophobicContact CE3-CE2 4.16Å; W41-F58 AromaticContact CH2-CE2 3.48Å; W41-F58 HydrophobicContact CH2-CE2 3.48Å; W41-F58 VanDerWaalsContact CH2-CE2 3.48Å; W41-F58 AromaticContact CH2-CZ 3.78Å; W41-F58 HydrophobicContact CH2-CZ 3.78Å; W41-F58 HydrophobicContact CZ2-CE2 4.05Å; W41-F58 HydrophobicContact CZ2-CZ 4.31Å; W41-F58 HydrophobicContact CZ3-CD2 4.24Å; W41-F58 AromaticContact CZ3-CE2 3.55Å; W41-F58 HydrophobicContact CZ3-CE2 3.55Å; W41-F58 HydrophobicContact CZ3-CZ 4.26Å; F45-F58 AromaticContact CD1-CD2 3.61Å; F45-F58 HydrophobicContact CD1-CD2 3.61Å; F45-F58 HydrophobicContact CD1-CE2 4.21Å; F45-F58 HydrophobicContact CD1-CG 4.33Å; F45-F58 AromaticContact CD2-CD2 3.85Å; F45-F58 HydrophobicContact CD2-CD2 3.85Å; F45-F58 AromaticContact CD2-CE2 3.93Å; F45-F58 HydrophobicContact CD2-CE2 3.93Å; F45-F58 AromaticContact CE1-CD2 3.59Å; F45-F58 HydrophobicContact CE1-CD2 3.59Å; F45-F58 AromaticContact CE1-CE2 3.8Å; F45-F58 HydrophobicContact CE1-CE2 3.8Å; F45-F58 HydrophobicContact CE1-CG 4.32Å; F45-F58 AromaticContact CE2-CD2 3.86Å; F45-F58 HydrophobicContact CE2-CD2 3.86Å; F45-F58 AromaticContact CE2-CE2 3.52Å; F45-F58 HydrophobicContact CE2-CE2 3.52Å; F45-F58 AromaticContact CG-CD2 3.74Å; F45-F58 HydrophobicContact CG-CD2 3.74Å; F45-F58 HydrophobicContact CG-CE2 4.27Å; F45-F58 AromaticContact CZ-CD2 3.73Å; F45-F58 HydrophobicContact CZ-CD2 3.73Å; F45-F58 AromaticContact CZ-CE2 3.44Å; F45-F58 HydrophobicContact CZ-CE2 3.44Å; F45-F58 VanDerWaalsContact CZ-CE2 3.44Å; F45-F58 HydrophobicContact CZ-CZ 4.28Å; I53-F58 HydrophobicContact CG2-CB 4.42Å; I53-F58 HydrophobicContact CG2-CD2 4.33Å; T54-F58 WeakPolarHBondContact O-CB 3.3Å; T54-F58 PolarHBondContact O-N 3.34Å; F55-F58 WeakPolarHBondContact O-CB 3.42Å; F55-F58 PolarHBondContact O-N 3.19Å; Q56-F58 VanDerWaalsContact C-N 3.27Å; Q56-F58 PolarHBondContact O-N 2.95Å; F58-V61 PolarHBondContact O-N 3.36Å; F58-L62 HydrophobicContact CD1-CD1 3.77Å; F58-L62 HydrophobicContact CE1-CD1 3.25Å; F58-L62 HydrophobicContact CE1-CG 4.32Å; F58-L62 HydrophobicContact CZ-CD1 3.71Å; F58-L62 WeakPolarHBondContact O-CG 3.47Å; F58-L62 PolarHBondContact O-N 3.24Å; F58-L62 VanDerWaalsContact O-N 3.13Å |
| 59 | C | 91.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 175.4 | -69.2 | 0 | 0 | 0 | 0 | 112 | F55 Q56 V61 L62 G63 V64 P66 | F55-C59 VanDerWaalsContact CZ-SG 3.56Å; F55-C59 WeakPolarHBondContact O-CB 3.07Å; F55-C59 PolarHBondContact O-N 3.31Å; F55-C59 PolarHBondContact O-SG 2.67Å; Q56-C59 PolarHBondContact O-N 3.26Å; C59-V61 VanDerWaalsContact C-N 3.32Å; C59-V61 PolarHBondContact O-N 3.25Å; C59-L62 PolarHBondContact O-N 2.97Å; C59-G63 PolarHBondContact O-N 3.2Å; C59-V64 WeakPolarHBondContact CB-O 3.42Å; C59-V64 PolarHBondContact O-N 3.2Å; C59-P66 HydrophobicContact CB-CG 4.03Å |
| 60 | D | 90.6 | Very high | 89.6 | Confident | 90 Ų | 90 | 56.1 Ų | 56.1 | 48% | 0.481 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.2 | -42.7 | 179.6 | -65 | -20.6 | 0 | 0 | 0 | 111.8 | Q56 K57 G63 | Q56-D60 PolarHBondContact NE2-OD1 3.14Å; Q56-D60 PolarHBondContact O-N 3.41Å; K57-D60 PolarHBondContact O-N 2.99Å; D60-G63 PolarHBondContact O-N 2.74Å |
| 61 | V | 91 | Very high | 89.1 | Confident | 60 Ų | 60 | 57.2 Ų | 57.2 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -71.2 | -35.7 | 179.5 | 172.8 | 0 | 0 | 0 | 0 | 111.8 | L44 F45 K57 F58 C59 G63 | L44-V61 WeakPolarHBondContact O-CG2 3.5Å; F45-V61 HydrophobicContact CD1-CB 3.8Å; F45-V61 HydrophobicContact CD1-CG1 3.84Å; F45-V61 HydrophobicContact CD1-CG2 4.12Å; F45-V61 HydrophobicContact CE1-CB 3.8Å; F45-V61 HydrophobicContact CE1-CG1 3.57Å; K57-V61 HydrophobicContact CD-CG2 4.32Å; K57-V61 VanDerWaalsContact O-CG2 3.3Å; K57-V61 WeakPolarHBondContact O-CG2 3.41Å; K57-V61 PolarHBondContact O-N 2.9Å; F58-V61 PolarHBondContact O-N 3.36Å; C59-V61 VanDerWaalsContact C-N 3.32Å; C59-V61 PolarHBondContact O-N 3.25Å; V61-G63 VanDerWaalsContact C-N 3.28Å; V61-G63 PolarHBondContact O-N 3.27Å |
| 62 | L | 89.8 | Confident | 88.6 | Confident | 53 Ų | 53 | 58 Ų | 58 | 28% | 0.277 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -78.3 | -10.7 | 176.3 | -65.9 | -177.9 | 0 | 0 | 0 | 113.4 | F4 V5 F45 F58 C59 V64 | F4-L62 HydrophobicContact CB-CD1 3.74Å; F4-L62 HydrophobicContact CB-CD2 4.27Å; F4-L62 HydrophobicContact CD2-CD2 4.47Å; F4-L62 HydrophobicContact CG-CD2 4.42Å; V5-L62 HydrophobicContact CG2-CD1 3.94Å; F45-L62 HydrophobicContact CE1-CD2 4.36Å; F45-L62 HydrophobicContact CE1-CG 4.34Å; F45-L62 HydrophobicContact CZ-CD2 4.36Å; F58-L62 HydrophobicContact CD1-CD1 3.77Å; F58-L62 HydrophobicContact CE1-CD1 3.25Å; F58-L62 HydrophobicContact CE1-CG 4.32Å; F58-L62 HydrophobicContact CZ-CD1 3.71Å; F58-L62 WeakPolarHBondContact O-CG 3.47Å; F58-L62 PolarHBondContact O-N 3.24Å; F58-L62 VanDerWaalsContact O-N 3.13Å; C59-L62 PolarHBondContact O-N 2.97Å; L62-V64 VanDerWaalsContact C-N 3.3Å; L62-V64 HydrophobicContact CB-CG2 3.69Å |
| 63 | G | 89 | Confident | 88.1 | Confident | 70 Ų | 70 | 55.3 Ų | 55.3 | 72% | 0.722 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 21.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | C59 D60 V61 | C59-G63 PolarHBondContact O-N 3.2Å; D60-G63 PolarHBondContact O-N 2.74Å; V61-G63 VanDerWaalsContact C-N 3.28Å; V61-G63 PolarHBondContact O-N 3.27Å |
| 64 | V | 87.5 | Confident | 87.1 | Confident | 16 Ų | 16 | 62 Ų | 62 | 10% | 0.097 | 32% | 0.322 | C | S | . | . | trans | -98.3 | 140.1 | -177 | -171.8 | 0 | 0 | 0 | 0 | 109.4 | E2 C59 L62 P66 A69 | E2-V64 WeakPolarHBondContact OE2-CG2 3.46Å; C59-V64 WeakPolarHBondContact CB-O 3.42Å; C59-V64 PolarHBondContact O-N 3.2Å; L62-V64 VanDerWaalsContact C-N 3.3Å; L62-V64 HydrophobicContact CB-CG2 3.69Å; V64-P66 WeakPolarHBondContact O-CD 3.42Å; V64-A69 HydrophobicContact CG1-CB 3.94Å | ||
| 65 | K | 88.2 | Confident | 86 | Confident | 138 Ų | 138 | 61.4 Ų | 61.4 | 60% | 0.6 | 32% | 0.32 | S | S | * | . | trans | -73.2 | 125.5 | 171.6 | -65.3 | -173.4 | -179.7 | -177.6 | 0 | 109.7 | E67 Q68 A69 | K65-E67 PolarHBondContact O-N 2.65Å; K65-E67 VanDerWaalsContact O-N 3.12Å; K65-Q68 HydrophobicContact CB-CB 4.34Å; K65-Q68 HydrophobicContact CB-CG 4.06Å; K65-Q68 WeakPolarHBondContact O-CB 3.3Å; K65-Q68 PolarHBondContact O-N 3.25Å; K65-A69 PolarHBondContact O-N 2.91Å; K65-A69 VanDerWaalsContact O-N 3.08Å | ||
| 66 | P | 86.8 | Confident | 85 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -52 | -38.9 | 179.8 | -27.3 | 32 | 0 | 0 | 0 | 113.4 | Q56 C59 V64 Q68 A69 R70 | Q56-P66 VanDerWaalsContact NE2-CG 3.29Å; Q56-P66 VanDerWaalsContact OE1-CG 3.29Å; C59-P66 HydrophobicContact CB-CG 4.03Å; V64-P66 WeakPolarHBondContact O-CD 3.42Å; P66-Q68 PolarHBondContact O-N 3.47Å; P66-A69 CarbonylContact O-C 3.58Å; P66-A69 PolarHBondContact O-N 2.87Å; P66-R70 WeakPolarHBondContact O-CB 3.19Å; P66-R70 VanDerWaalsContact O-CG 3.3Å; P66-R70 WeakPolarHBondContact O-CG 3.44Å; P66-R70 PolarHBondContact O-N 3.06Å |
| 67 | E | 85.6 | Confident | 83.8 | Confident | 120 Ų | 120 | 60.2 Ų | 60.2 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62 | -38.8 | 177.3 | -63.1 | -50.8 | 126.3 | 0 | 0 | 113.6 | K65 R70 T71 | K65-E67 PolarHBondContact O-N 2.65Å; K65-E67 VanDerWaalsContact O-N 3.12Å; E67-R70 IonicContact OE1-CZ 3.49Å; E67-R70 IonicContact OE1-NH1 2.88Å; E67-R70 PolarHBondContact OE1-NH1 3.01Å; E67-T71 PolarHBondContact O-N 2.93Å; E67-T71 PolarHBondContact O-OG1 3.14Å |
| 68 | Q | 83.4 | Confident | 82.4 | Confident | 119 Ų | 119 | 60.7 Ų | 60.7 | 56% | 0.556 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -69.5 | -41.5 | 175.7 | -67.1 | 177.8 | -6.1 | 0 | 0 | 110.5 | K65 P66 T71 L72 | K65-Q68 HydrophobicContact CB-CB 4.34Å; K65-Q68 HydrophobicContact CB-CG 4.06Å; K65-Q68 WeakPolarHBondContact O-CB 3.3Å; K65-Q68 PolarHBondContact O-N 3.25Å; P66-Q68 PolarHBondContact O-N 3.47Å; Q68-T71 WeakPolarHBondContact O-CB 3.18Å; Q68-T71 PolarHBondContact O-N 2.95Å; Q68-L72 PolarHBondContact O-N 3.41Å |
| 69 | A | 84.7 | Confident | 81 | Confident | 2 Ų | 2 | 67.1 Ų | 67.1 | 2% | 0.017 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67 | -38 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | V5 F9 F55 V64 K65 P66 T71 L72 R73 | V5-A69 HydrophobicContact CG1-CB 4.2Å; F9-A69 VanDerWaalsContact CZ-O 3.29Å; F9-A69 WeakPolarHBondContact CZ-O 3.37Å; F55-A69 HydrophobicContact CE1-CB 4.19Å; F55-A69 HydrophobicContact CE2-CB 4.26Å; F55-A69 HydrophobicContact CZ-CB 3.44Å; F55-A69 VanDerWaalsContact CZ-CB 3.44Å; V64-A69 HydrophobicContact CG1-CB 3.94Å; K65-A69 PolarHBondContact O-N 2.91Å; K65-A69 VanDerWaalsContact O-N 3.08Å; P66-A69 CarbonylContact O-C 3.58Å; P66-A69 PolarHBondContact O-N 2.87Å; A69-T71 VanDerWaalsContact C-N 3.35Å; A69-T71 PolarHBondContact O-N 3.04Å; A69-L72 CarbonylContact O-C 3.58Å; A69-L72 WeakPolarHBondContact O-CB 3.31Å; A69-L72 PolarHBondContact O-N 3.45Å; A69-R73 PolarHBondContact O-N 2.89Å |
| 70 | R | 85.2 | Confident | 79.6 | Confident | 78 Ų | 78 | 73.1 Ų | 73.1 | 29% | 0.294 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 171.5 | -74.4 | 174.2 | 177 | 143 | 1.1 | 111.9 | E17 F55 P66 E67 L72 R73 K74 | E17-R70 IonicContact OE1-CZ 3.92Å; E17-R70 IonicContact OE1-NE 3.35Å; E17-R70 PolarHBondContact OE1-NE 2.98Å; E17-R70 IonicContact OE1-NH2 3.57Å; E17-R70 PolarHBondContact OE1-NH2 2.98Å; E17-R70 IonicContact OE2-CZ 2.74Å; E17-R70 IonicContact OE2-NE 2.86Å; E17-R70 IonicContact OE2-NH2 3.81Å; E17-R70 PolarHBondContact OE2-NH2 3.49Å; F55-R70 HydrophobicContact CE1-CG 3.93Å; P66-R70 WeakPolarHBondContact O-CB 3.19Å; P66-R70 VanDerWaalsContact O-CG 3.3Å; P66-R70 WeakPolarHBondContact O-CG 3.44Å; P66-R70 PolarHBondContact O-N 3.06Å; E67-R70 IonicContact OE1-CZ 3.49Å; E67-R70 IonicContact OE1-NH1 2.88Å; E67-R70 PolarHBondContact OE1-NH1 3.01Å; R70-L72 VanDerWaalsContact C-N 3.34Å; R70-R73 WeakPolarHBondContact O-CB 3.48Å; R70-R73 PolarHBondContact O-N 3.22Å; R70-K74 PolarHBondContact O-N 3.2Å; R70-K74 VanDerWaalsContact O-N 3.16Å |
| 71 | T | 81 | Confident | 78.3 | Confident | 96 Ų | 96 | 74.7 Ų | 74.7 | 59% | 0.589 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.5 | -42.2 | 174.3 | -55.9 | 0 | 0 | 0 | 0 | 111 | E67 Q68 A69 R73 K74 S75 | E67-T71 PolarHBondContact O-N 2.93Å; E67-T71 PolarHBondContact O-OG1 3.14Å; Q68-T71 WeakPolarHBondContact O-CB 3.18Å; Q68-T71 PolarHBondContact O-N 2.95Å; A69-T71 VanDerWaalsContact C-N 3.35Å; A69-T71 PolarHBondContact O-N 3.04Å; T71-R73 VanDerWaalsContact C-N 3.35Å; T71-R73 PolarHBondContact O-N 3.23Å; T71-K74 PolarHBondContact O-N 3.09Å; T71-S75 PolarHBondContact O-N 3.27Å; T71-S75 VanDerWaalsContact O-N 3.16Å |
| 72 | L | 79.8 | Confident | 77.4 | Confident | 44 Ų | 44 | 75.7 Ų | 75.7 | 23% | 0.23 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 174 | -175.6 | 67.3 | 0 | 0 | 0 | 111.2 | V5 Q68 A69 R70 K74 S75 V76 | V5-L72 HydrophobicContact CB-CD2 4.45Å; V5-L72 HydrophobicContact CG1-CD2 4.06Å; Q68-L72 PolarHBondContact O-N 3.41Å; A69-L72 CarbonylContact O-C 3.58Å; A69-L72 WeakPolarHBondContact O-CB 3.31Å; A69-L72 PolarHBondContact O-N 3.45Å; R70-L72 VanDerWaalsContact C-N 3.34Å; L72-K74 VanDerWaalsContact C-N 3.31Å; L72-K74 PolarHBondContact O-N 3.08Å; L72-S75 CarbonylContact O-C 3.6Å; L72-S75 WeakPolarHBondContact O-CA 3.36Å; L72-S75 PolarHBondContact O-N 3.23Å; L72-S75 PolarHBondContact O-OG 2.96Å; L72-V76 HydrophobicContact CD1-CG2 4.27Å; L72-V76 HydrophobicContact CG-CG2 4.11Å; L72-V76 WeakPolarHBondContact O-CG2 3.43Å; L72-V76 PolarHBondContact O-N 3.25Å |
| 73 | R | 81.4 | Confident | 76.9 | Confident | 22 Ų | 22 | 75.5 Ų | 75.5 | 8% | 0.083 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -52.9 | -49.5 | 175.6 | -166.4 | 179.7 | -175.9 | 136.3 | 11.1 | 111.1 | F9 D12 A69 R70 T71 S75 V76 I77 | F9-R73 HydrophobicContact CD1-CB 4.24Å; F9-R73 HydrophobicContact CD1-CG 3.74Å; F9-R73 HydrophobicContact CD2-CB 4.08Å; F9-R73 HydrophobicContact CD2-CG 3.99Å; F9-R73 HydrophobicContact CE1-CB 3.77Å; F9-R73 HydrophobicContact CE1-CG 3.76Å; F9-R73 VanDerWaalsContact CE2-CA 3.42Å; F9-R73 HydrophobicContact CE2-CB 3.57Å; F9-R73 HydrophobicContact CE2-CG 3.98Å; F9-R73 HydrophobicContact CG-CB 4.4Å; F9-R73 HydrophobicContact CG-CG 3.89Å; F9-R73 HydrophobicContact CZ-CB 3.44Å; F9-R73 VanDerWaalsContact CZ-CB 3.44Å; F9-R73 HydrophobicContact CZ-CG 3.91Å; D12-R73 PolarHBondContact O-NH2 3.08Å; D12-R73 VanDerWaalsContact O-NH2 3.14Å; D12-R73 IonicContact OD2-CZ 3.87Å; D12-R73 VanDerWaalsContact OD2-CZ 3.3Å; D12-R73 IonicContact OD2-NH1 2.88Å; D12-R73 PolarHBondContact OD2-NH1 3.15Å; D12-R73 IonicContact OD2-NH2 2.73Å; D12-R73 PolarHBondContact OD2-NH2 3.33Å; A69-R73 PolarHBondContact O-N 2.89Å; R70-R73 WeakPolarHBondContact O-CB 3.48Å; R70-R73 PolarHBondContact O-N 3.22Å; T71-R73 VanDerWaalsContact C-N 3.35Å; T71-R73 PolarHBondContact O-N 3.23Å; R73-S75 VanDerWaalsContact C-N 3.3Å; R73-S75 PolarHBondContact O-N 2.76Å; R73-V76 PolarHBondContact O-N 3.3Å; R73-V76 VanDerWaalsContact O-N 3.14Å; R73-I77 HydrophobicContact CG-CD1 3.73Å; R73-I77 HydrophobicContact CG-CG1 4.28Å; R73-I77 WeakPolarHBondContact O-CB 3.28Å; R73-I77 VanDerWaalsContact O-CG1 3.29Å; R73-I77 WeakPolarHBondContact O-CG1 3.48Å; R73-I77 PolarHBondContact O-N 3.35Å |
| 74 | K | 73.2 | Confident | 76.4 | Confident | 148 Ų | 148 | 82.8 Ų | 82.8 | 64% | 0.643 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -56.9 | -45.1 | 176.6 | -66.7 | -178.8 | -179.9 | -176 | 0 | 111.3 | R70 T71 L72 V76 I77 N78 | R70-K74 PolarHBondContact O-N 3.2Å; R70-K74 VanDerWaalsContact O-N 3.16Å; T71-K74 PolarHBondContact O-N 3.09Å; L72-K74 VanDerWaalsContact C-N 3.31Å; L72-K74 PolarHBondContact O-N 3.08Å; K74-V76 PolarHBondContact O-N 3.26Å; K74-I77 PolarHBondContact O-N 3.3Å; K74-N78 VanDerWaalsContact O-CB 3.25Å; K74-N78 WeakPolarHBondContact O-CB 3.4Å; K74-N78 PolarHBondContact O-N 2.88Å; K74-N78 PolarHBondContact O-ND2 3.19Å; K74-N78 PolarHBondContact O-OD1 2.99Å |
| 75 | S | 70.7 | Confident | 76.4 | Confident | 48 Ų | 48 | 84.6 Ų | 84.6 | 34% | 0.336 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.9 | -35.6 | 177.8 | 76.6 | 0 | 0 | 0 | 0 | 113.4 | T71 L72 R73 N79 | T71-S75 PolarHBondContact O-N 3.27Å; T71-S75 VanDerWaalsContact O-N 3.16Å; L72-S75 CarbonylContact O-C 3.6Å; L72-S75 WeakPolarHBondContact O-CA 3.36Å; L72-S75 PolarHBondContact O-N 3.23Å; L72-S75 PolarHBondContact O-OG 2.96Å; R73-S75 VanDerWaalsContact C-N 3.3Å; R73-S75 PolarHBondContact O-N 2.76Å; S75-N79 WeakPolarHBondContact O-CB 3.38Å; S75-N79 VanDerWaalsContact O-CG 3.27Å; S75-N79 PolarHBondContact O-N 3.25Å; S75-N79 PolarHBondContact O-ND2 2.93Å |
| 76 | V | 70.1 | Confident | 76.6 | Confident | 25 Ų | 25 | 78.8 Ų | 78.8 | 15% | 0.152 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -72.1 | -41.8 | 178.3 | 171 | 0 | 0 | 0 | 0 | 110.5 | N6 L72 R73 K74 N79 R80 | N6-V76 WeakPolarHBondContact OD1-CG2 3.19Å; L72-V76 HydrophobicContact CD1-CG2 4.27Å; L72-V76 HydrophobicContact CG-CG2 4.11Å; L72-V76 WeakPolarHBondContact O-CG2 3.43Å; L72-V76 PolarHBondContact O-N 3.25Å; R73-V76 PolarHBondContact O-N 3.3Å; R73-V76 VanDerWaalsContact O-N 3.14Å; K74-V76 PolarHBondContact O-N 3.26Å; V76-N79 CarbonylContact O-C 3.57Å; V76-N79 PolarHBondContact O-N 2.97Å; V76-R80 WeakPolarHBondContact O-CG 3.08Å; V76-R80 PolarHBondContact O-N 3.28Å |
| 77 | I | 66.1 | Low | 76.7 | Confident | 35 Ų | 35 | 82.2 Ų | 82.2 | 18% | 0.179 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 174.4 | -69.5 | 172.4 | 0 | 0 | 0 | 109.6 | R73 K74 N79 R80 | R73-I77 HydrophobicContact CG-CD1 3.73Å; R73-I77 HydrophobicContact CG-CG1 4.28Å; R73-I77 WeakPolarHBondContact O-CB 3.28Å; R73-I77 VanDerWaalsContact O-CG1 3.29Å; R73-I77 WeakPolarHBondContact O-CG1 3.48Å; R73-I77 PolarHBondContact O-N 3.35Å; K74-I77 PolarHBondContact O-N 3.3Å; I77-N79 VanDerWaalsContact C-N 3.25Å; I77-N79 PolarHBondContact O-N 3.3Å; I77-R80 PolarHBondContact O-N 3.05Å |
| 78 | N | 62.3 | Low | 77 | Confident | 90 Ų | 90 | 78.7 Ų | 78.7 | 48% | 0.481 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.8 | -27.4 | 179.3 | -67.9 | -8.7 | 0 | 0 | 0 | 113.1 | K74 S95 | K74-N78 VanDerWaalsContact O-CB 3.25Å; K74-N78 WeakPolarHBondContact O-CB 3.4Å; K74-N78 PolarHBondContact O-N 2.88Å; K74-N78 PolarHBondContact O-ND2 3.19Å; K74-N78 PolarHBondContact O-OD1 2.99Å; N78-S95 WeakPolarHBondContact OD1-CB 3.45Å; N78-S95 PolarHBondContact OD1-OG 3.17Å |
| 79 | N | 62.5 | Low | 77.3 | Confident | 134 Ų | 134 | 76.5 Ų | 76.5 | 72% | 0.717 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 5.9 | 178.6 | -70 | -26.2 | 0 | 0 | 0 | 113.8 | S75 V76 I77 | S75-N79 WeakPolarHBondContact O-CB 3.38Å; S75-N79 VanDerWaalsContact O-CG 3.27Å; S75-N79 PolarHBondContact O-N 3.25Å; S75-N79 PolarHBondContact O-ND2 2.93Å; V76-N79 CarbonylContact O-C 3.57Å; V76-N79 PolarHBondContact O-N 2.97Å; I77-N79 VanDerWaalsContact C-N 3.25Å; I77-N79 PolarHBondContact O-N 3.3Å |
| 80 | R | 63 | Low | 77.7 | Confident | 127 Ų | 127 | 78.8 Ų | 78.8 | 48% | 0.479 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -62.5 | 129.9 | 172.3 | -93 | -177.1 | -169.2 | -170 | 5.4 | 107.2 | F9 V76 I77 L82 | F9-R80 PolarHBondContact O-NH2 3.37Å; V76-R80 WeakPolarHBondContact O-CG 3.08Å; V76-R80 PolarHBondContact O-N 3.28Å; I77-R80 PolarHBondContact O-N 3.05Å; R80-L82 PolarHBondContact O-N 3.46Å; R80-L82 VanDerWaalsContact O-N 3.08Å |
| 81 | P | 63.9 | Low | 78 | Confident | 123 Ų | 123 | 79.9 Ų | 79.9 | 80% | 0.799 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 124.8 | 172.3 | 22.8 | -30.3 | 0 | 0 | 0 | 107.5 | ||
| 82 | L | 71.6 | Confident | 78.5 | Confident | 80 Ų | 80 | 78.3 Ų | 78.3 | 42% | 0.419 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 144.2 | 174 | -66.5 | 168.3 | 0 | 0 | 0 | 108.1 | R80 K84 L86 I88 | R80-L82 PolarHBondContact O-N 3.46Å; R80-L82 VanDerWaalsContact O-N 3.08Å; L82-K84 PolarHBondContact O-N 3.22Å; L82-L86 HydrophobicContact CB-CD2 4.47Å; L82-L86 HydrophobicContact CD2-CD2 3.84Å; L82-I88 HydrophobicContact CD1-CD1 3.81Å; L82-I88 HydrophobicContact CD1-CG1 3.88Å |
| 83 | P | 78.2 | Confident | 79 | Confident | 50 Ų | 50 | 77 Ų | 77 | 33% | 0.325 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -46.4 | 140.7 | 170.6 | -28.4 | 35.6 | 0 | 0 | 0 | 110.6 | D85 L86 | P83-D85 WeakPolarHBondContact CB-OD1 3.33Å; P83-D85 PolarHBondContact O-N 3.24Å; P83-L86 HydrophobicContact CB-CB 4.21Å; P83-L86 WeakPolarHBondContact O-CA 3.34Å; P83-L86 WeakPolarHBondContact O-CB 3.34Å; P83-L86 PolarHBondContact O-N 3.06Å |
| 84 | K | 79.3 | Confident | 79.4 | Confident | 222 Ų | 222 | 78.5 Ų | 78.5 | 97% | 0.965 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -24.1 | -175.2 | -67.1 | -176 | 179.3 | -179.8 | 0 | 113.3 | L82 L86 | L82-K84 PolarHBondContact O-N 3.22Å; K84-L86 VanDerWaalsContact C-N 3.34Å |
| 85 | D | 88.4 | Confident | 79.9 | Confident | 54 Ų | 54 | 73.8 Ų | 73.8 | 29% | 0.289 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -3 | 176.6 | 63.2 | -37.9 | 0 | 0 | 0 | 113.6 | P83 R106 L159 K160 | P83-D85 WeakPolarHBondContact CB-OD1 3.33Å; P83-D85 PolarHBondContact O-N 3.24Å; D85-R106 VanDerWaalsContact CG-NH2 3.3Å; D85-R106 IonicContact OD1-NH2 3.3Å; D85-R106 PolarHBondContact OD1-NH2 2.92Å; D85-R106 IonicContact OD2-CZ 2.87Å; D85-R106 IonicContact OD2-NH2 2.94Å; D85-R106 PolarHBondContact OD2-NH2 3.48Å; D85-L159 CarbonylContact O-C 3.56Å; D85-L159 VanDerWaalsContact O-CA 3.31Å; D85-L159 WeakPolarHBondContact O-CA 3.28Å; D85-K160 HydrophobicContact CB-CG 4.42Å; D85-K160 PolarHBondContact O-N 2.85Å |
| 86 | L | 90.9 | Very high | 80.6 | Confident | 16 Ų | 16 | 75.6 Ų | 75.6 | 8% | 0.084 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125.9 | 179.7 | -179.6 | 65.3 | 0 | 0 | 0 | 110.6 | L82 P83 K84 F102 F157 R158 L159 | L82-L86 HydrophobicContact CB-CD2 4.47Å; L82-L86 HydrophobicContact CD2-CD2 3.84Å; P83-L86 HydrophobicContact CB-CB 4.21Å; P83-L86 WeakPolarHBondContact O-CA 3.34Å; P83-L86 WeakPolarHBondContact O-CB 3.34Å; P83-L86 PolarHBondContact O-N 3.06Å; K84-L86 VanDerWaalsContact C-N 3.34Å; L86-F102 HydrophobicContact CD1-CD1 3.96Å; L86-F102 HydrophobicContact CD1-CE1 3.98Å; L86-F102 HydrophobicContact CD1-CG 4.36Å; L86-F102 HydrophobicContact CD1-CZ 4.36Å; L86-F102 HydrophobicContact CD2-CB 4.46Å; L86-F102 HydrophobicContact CD2-CD1 4.26Å; L86-F102 HydrophobicContact CD2-CD2 3.6Å; L86-F102 HydrophobicContact CD2-CE1 4.42Å; L86-F102 HydrophobicContact CD2-CE2 3.78Å; L86-F102 HydrophobicContact CD2-CG 3.86Å; L86-F102 HydrophobicContact CD2-CZ 4.2Å; L86-F157 HydrophobicContact CD1-CB 4.19Å; L86-F157 HydrophobicContact CD1-CD2 3.6Å; L86-F157 HydrophobicContact CD1-CE2 4.38Å; L86-F157 HydrophobicContact CD1-CG 4.26Å; L86-R158 CarbonylContact C-O 3.59Å; L86-R158 WeakPolarHBondContact CA-O 3.32Å; L86-L159 HydrophobicContact CB-CD1 4.3Å; L86-L159 HydrophobicContact CD1-CB 4.42Å; L86-L159 HydrophobicContact CD1-CD1 4.31Å |
| 87 | Q | 89.4 | Confident | 81.5 | Confident | 94 Ų | 94 | 76.2 Ų | 76.2 | 44% | 0.439 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 125.6 | 174.1 | 178.7 | -176.8 | -0.8 | 0 | 0 | 109.9 | F157 R158 | Q87-F157 CarbonylContact O-C 3.59Å; Q87-F157 VanDerWaalsContact O-CA 3.25Å; Q87-F157 WeakPolarHBondContact O-CA 3.48Å; Q87-F157 WeakPolarHBondContact O-CB 3.2Å; Q87-R158 HydrophobicContact CB-CB 4.36Å; Q87-R158 PolarHBondContact N-O 3.5Å; Q87-R158 PolarHBondContact O-N 3.05Å |
| 88 | I | 91 | Very high | 82.7 | Confident | 45 Ų | 45 | 75 Ų | 75 | 23% | 0.231 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 130.5 | 171.9 | -59.3 | 176 | 0 | 0 | 0 | 108.7 | L82 Q91 F102 | L82-I88 HydrophobicContact CD1-CD1 3.81Å; L82-I88 HydrophobicContact CD1-CG1 3.88Å; I88-Q91 HydrophobicContact CG2-CB 4.13Å; I88-Q91 HydrophobicContact CG2-CG 4.41Å; I88-F102 HydrophobicContact CD1-CE2 4.48Å; I88-F102 HydrophobicContact CD1-CZ 4.21Å; I88-F102 HydrophobicContact CG1-CZ 4.02Å |
| 89 | I | 91.6 | Very high | 83.9 | Confident | 74 Ų | 74 | 74.7 Ų | 74.7 | 38% | 0.379 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -44.3 | 177.1 | -57.3 | 168 | 0 | 0 | 0 | 109.9 | Y143 Q156 R158 C163 | I89-Y143 HydrophobicContact CD1-CE1 4.09Å; I89-Y143 WeakPolarHBondContact CD1-OH 3.31Å; I89-Y143 WeakPolarHBondContact CG2-OH 3.28Å; I89-Q156 HydrophobicContact CB-CB 4.05Å; I89-Q156 PolarHBondContact N-O 3.1Å; I89-R158 HydrophobicContact CD1-CB 4.32Å; I89-C163 HydrophobicContact CD1-CB 4.25Å |
| 90 | S | 91.6 | Very high | 85.3 | Confident | 50 Ų | 50 | 71.5 Ų | 71.5 | 35% | 0.35 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 144.6 | 177.7 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | Q156 | S90-Q156 PolarHBondContact N-O 2.91Å; S90-Q156 VanDerWaalsContact N-O 3.11Å; S90-Q156 PolarHBondContact O-N 3.43Å; S90-Q156 VanDerWaalsContact O-O 3.12Å |
| 91 | Q | 91.1 | Very high | 86.8 | Confident | 101 Ų | 101 | 65.5 Ų | 65.5 | 47% | 0.472 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 141 | 179.7 | 66.1 | -179.2 | 48.1 | 0 | 0 | 110.9 | I88 L155 | I88-Q91 HydrophobicContact CG2-CB 4.13Å; I88-Q91 HydrophobicContact CG2-CG 4.41Å; Q91-L155 HydrophobicContact CB-CD1 3.91Å |
| 92 | N | 91.5 | Very high | 88.1 | Confident | 62 Ų | 62 | 60.4 Ų | 60.4 | 33% | 0.332 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 77.4 | 163.2 | -174.1 | 12.1 | 0 | 0 | 0 | 106.5 | E152 Q153 S154 | N92-E152 PolarHBondContact ND2-N 2.91Å; N92-E152 CarbonylContact O-C 3.59Å; N92-E152 WeakPolarHBondContact O-CA 3.31Å; N92-E152 PolarHBondContact OD1-N 3.48Å; N92-Q153 PolarHBondContact O-N 3.29Å; N92-S154 CarbonylContact C-O 3.59Å; N92-S154 WeakPolarHBondContact CB-OG 3.42Å; N92-S154 PolarHBondContact N-O 3.05Å; N92-S154 PolarHBondContact O-N 3.36Å |
| 93 | M | 92.1 | Very high | 89 | Confident | 17 Ų | 17 | 60.9 Ų | 60.9 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -172 | 169.3 | 170.4 | 70.7 | -159.4 | -49 | 0 | 0 | 109.3 | D97 Q98 I101 W134 E152 L155 | M93-D97 HydrophobicContact CE-CB 3.64Å; M93-D97 HydrophobicContact CG-CB 4.4Å; M93-Q98 HydrophobicContact CG-CG 3.57Å; M93-Q98 PolarHBondContact O-NE2 3.47Å; M93-Q98 HydrophobicContact SD-CG 4.2Å; M93-I101 HydrophobicContact CE-CD1 3.42Å; M93-I101 VanDerWaalsContact CE-CD1 3.42Å; M93-I101 HydrophobicContact SD-CD1 3.56Å; M93-I101 VanDerWaalsContact SD-CD1 3.56Å; M93-W134 HydrophobicContact CE-CH2 4.02Å; M93-E152 WeakPolarHBondContact CB-O 3.46Å; M93-L155 HydrophobicContact SD-CB 3.59Å; M93-L155 VanDerWaalsContact SD-CB 3.59Å; M93-L155 HydrophobicContact SD-CD2 4Å; M93-L155 HydrophobicContact SD-CG 4.29Å |
| 94 | S | 88.4 | Confident | 89.8 | Confident | 54 Ų | 54 | 60.4 Ų | 60.4 | 38% | 0.378 | 30% | 0.302 | S | S | . | . | trans | -66.5 | 152.2 | -178.7 | 83.9 | 0 | 0 | 0 | 0 | 112.5 | E96 D97 Q98 | S94-E96 PolarHBondContact O-N 2.82Å; S94-D97 PolarHBondContact O-N 2.91Å; S94-D97 PolarHBondContact OG-N 2.78Å; S94-D97 PolarHBondContact OG-OD2 2.94Å; S94-Q98 VanDerWaalsContact O-CG 3.28Å; S94-Q98 WeakPolarHBondContact O-CG 3.21Å; S94-Q98 PolarHBondContact O-N 3.46Å | ||
| 95 | S | 83.9 | Confident | 90.6 | Very high | 48 Ų | 48 | 49.9 Ų | 49.9 | 34% | 0.336 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.6 | -29.5 | 176.4 | -59.6 | 0 | 0 | 0 | 0 | 113.1 | N78 F99 | N78-S95 WeakPolarHBondContact OD1-CB 3.45Å; N78-S95 PolarHBondContact OD1-OG 3.17Å; S95-F99 WeakPolarHBondContact O-CB 3.48Å; S95-F99 PolarHBondContact O-N 2.87Å |
| 96 | E | 84.7 | Confident | 90.7 | Very high | 86 Ų | 86 | 51.2 Ų | 51.2 | 40% | 0.402 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.2 | -46.9 | 175.9 | -173.4 | 58.2 | -142.1 | 0 | 0 | 111 | S94 Q98 F99 Q100 | S94-E96 PolarHBondContact O-N 2.82Å; E96-Q98 VanDerWaalsContact C-N 3.34Å; E96-Q98 PolarHBondContact O-N 3.01Å; E96-F99 PolarHBondContact O-N 3.01Å; E96-Q100 PolarHBondContact O-N 3.02Å |
| 97 | D | 90.3 | Very high | 90.8 | Very high | 39 Ų | 39 | 52.8 Ų | 52.8 | 21% | 0.209 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.9 | -36.1 | 179 | -52.1 | -41.4 | 0 | 0 | 0 | 111.4 | M93 S94 F99 Q100 I101 F130 | M93-D97 HydrophobicContact CE-CB 3.64Å; M93-D97 HydrophobicContact CG-CB 4.4Å; S94-D97 PolarHBondContact O-N 2.91Å; S94-D97 PolarHBondContact OG-N 2.78Å; S94-D97 PolarHBondContact OG-OD2 2.94Å; D97-F99 VanDerWaalsContact C-N 3.32Å; D97-F99 PolarHBondContact O-N 3.22Å; D97-Q100 PolarHBondContact O-N 3.45Å; D97-I101 WeakPolarHBondContact O-CG1 3.36Å; D97-I101 PolarHBondContact O-N 2.99Å; D97-F130 HydrophobicContact CB-CE1 3.78Å; D97-F130 HydrophobicContact CB-CZ 3.96Å; D97-F130 WeakPolarHBondContact OD1-CE1 3.49Å |
| 98 | Q | 91 | Very high | 91 | Very high | 9 Ų | 9 | 48.3 Ų | 48.3 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.6 | -46.6 | 171.7 | -67.6 | 173.9 | 37.4 | 0 | 0 | 111.2 | M93 S94 E96 Q100 I101 F102 L155 | M93-Q98 HydrophobicContact CG-CG 3.57Å; M93-Q98 PolarHBondContact O-NE2 3.47Å; M93-Q98 HydrophobicContact SD-CG 4.2Å; S94-Q98 VanDerWaalsContact O-CG 3.28Å; S94-Q98 WeakPolarHBondContact O-CG 3.21Å; S94-Q98 PolarHBondContact O-N 3.46Å; E96-Q98 VanDerWaalsContact C-N 3.34Å; E96-Q98 PolarHBondContact O-N 3.01Å; Q98-Q100 PolarHBondContact O-N 3.01Å; Q98-I101 PolarHBondContact O-N 3.39Å; Q98-F102 HydrophobicContact CB-CE2 3.94Å; Q98-F102 HydrophobicContact CB-CZ 4.14Å; Q98-F102 VanDerWaalsContact O-CD2 3.25Å; Q98-F102 WeakPolarHBondContact O-CD2 3.45Å; Q98-F102 WeakPolarHBondContact O-CG 3.38Å; Q98-F102 PolarHBondContact O-N 3.45Å; Q98-L155 HydrophobicContact CB-CD2 4.21Å; Q98-L155 HydrophobicContact CG-CD1 3.88Å; Q98-L155 HydrophobicContact CG-CD2 4.06Å |
| 99 | F | 87.8 | Confident | 91 | Very high | 83 Ų | 83 | 48.1 Ų | 48.1 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.7 | -44.6 | 179.8 | -175.6 | -102.9 | 0 | 0 | 0 | 111.7 | S95 E96 D97 I101 F102 E103 | S95-F99 WeakPolarHBondContact O-CB 3.48Å; S95-F99 PolarHBondContact O-N 2.87Å; E96-F99 PolarHBondContact O-N 3.01Å; D97-F99 VanDerWaalsContact C-N 3.32Å; D97-F99 PolarHBondContact O-N 3.22Å; F99-I101 VanDerWaalsContact C-N 3.3Å; F99-I101 PolarHBondContact O-N 2.89Å; F99-F102 PolarHBondContact O-N 3.48Å; F99-E103 HydrophobicContact CD1-CG 4.21Å; F99-E103 HydrophobicContact CD2-CG 4.48Å; F99-E103 HydrophobicContact CE1-CG 3.71Å; F99-E103 HydrophobicContact CE2-CG 4.01Å; F99-E103 HydrophobicContact CZ-CG 3.59Å; F99-E103 PolarHBondContact O-N 2.96Å |
| 100 | Q | 91 | Very high | 90.7 | Very high | 67 Ų | 67 | 51.2 Ų | 51.2 | 31% | 0.313 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.4 | -42 | 175 | -69.9 | -179.1 | 67.2 | 0 | 0 | 112.1 | E96 D97 Q98 F104 W125 F130 | E96-Q100 PolarHBondContact O-N 3.02Å; D97-Q100 PolarHBondContact O-N 3.45Å; Q98-Q100 PolarHBondContact O-N 3.01Å; Q100-F104 WeakPolarHBondContact O-CB 3.44Å; Q100-F104 PolarHBondContact O-N 3.48Å; Q100-W125 HydrophobicContact CB-CH2 3.97Å; Q100-W125 HydrophobicContact CB-CZ2 4.36Å; Q100-W125 WeakPolarHBondContact O-CH2 2.99Å; Q100-F130 HydrophobicContact CB-CZ 4.45Å |
| 101 | I | 94.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 176.8 | -66.9 | 164.8 | 0 | 0 | 0 | 111 | M93 D97 Q98 F99 F104 V105 W125 L126 F130 L155 F157 V166 | M93-I101 HydrophobicContact CE-CD1 3.42Å; M93-I101 VanDerWaalsContact CE-CD1 3.42Å; M93-I101 HydrophobicContact SD-CD1 3.56Å; M93-I101 VanDerWaalsContact SD-CD1 3.56Å; D97-I101 WeakPolarHBondContact O-CG1 3.36Å; D97-I101 PolarHBondContact O-N 2.99Å; Q98-I101 PolarHBondContact O-N 3.39Å; F99-I101 VanDerWaalsContact C-N 3.3Å; F99-I101 PolarHBondContact O-N 2.89Å; I101-F104 PolarHBondContact O-N 2.94Å; I101-V105 HydrophobicContact CG2-CG2 4.33Å; I101-V105 WeakPolarHBondContact O-CG2 3.39Å; I101-V105 PolarHBondContact O-N 3.45Å; I101-W125 HydrophobicContact CB-CZ3 4.48Å; I101-W125 HydrophobicContact CG1-CH2 4.24Å; I101-W125 HydrophobicContact CG1-CZ3 3.86Å; I101-L126 HydrophobicContact CD1-CD2 4.06Å; I101-L126 HydrophobicContact CG1-CD2 3.92Å; I101-F130 HydrophobicContact CD1-CE2 4.43Å; I101-F130 HydrophobicContact CG1-CE2 4.12Å; I101-L155 HydrophobicContact CB-CD2 4.13Å; I101-L155 HydrophobicContact CD1-CD2 3.86Å; I101-L155 HydrophobicContact CG2-CD2 4.04Å; I101-F157 HydrophobicContact CG2-CE1 3.89Å; I101-F157 HydrophobicContact CG2-CZ 4.18Å; I101-V166 HydrophobicContact CD1-CG2 4.33Å |
| 102 | F | 92.1 | Very high | 90.3 | Very high | 17 Ų | 17 | 57.2 Ų | 57.2 | 8% | 0.075 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62 | -47.2 | -179.6 | -61.4 | -31.1 | 0 | 0 | 0 | 112.2 | L86 I88 Q98 F99 F104 V105 R106 L155 F157 | L86-F102 HydrophobicContact CD1-CD1 3.96Å; L86-F102 HydrophobicContact CD1-CE1 3.98Å; L86-F102 HydrophobicContact CD1-CG 4.36Å; L86-F102 HydrophobicContact CD1-CZ 4.36Å; L86-F102 HydrophobicContact CD2-CB 4.46Å; L86-F102 HydrophobicContact CD2-CD1 4.26Å; L86-F102 HydrophobicContact CD2-CD2 3.6Å; L86-F102 HydrophobicContact CD2-CE1 4.42Å; L86-F102 HydrophobicContact CD2-CE2 3.78Å; L86-F102 HydrophobicContact CD2-CG 3.86Å; L86-F102 HydrophobicContact CD2-CZ 4.2Å; I88-F102 HydrophobicContact CD1-CE2 4.48Å; I88-F102 HydrophobicContact CD1-CZ 4.21Å; I88-F102 HydrophobicContact CG1-CZ 4.02Å; Q98-F102 HydrophobicContact CB-CE2 3.94Å; Q98-F102 HydrophobicContact CB-CZ 4.14Å; Q98-F102 VanDerWaalsContact O-CD2 3.25Å; Q98-F102 WeakPolarHBondContact O-CD2 3.45Å; Q98-F102 WeakPolarHBondContact O-CG 3.38Å; Q98-F102 PolarHBondContact O-N 3.45Å; F99-F102 PolarHBondContact O-N 3.48Å; F102-F104 VanDerWaalsContact C-N 3.34Å; F102-F104 PolarHBondContact O-N 2.89Å; F102-V105 PolarHBondContact O-N 2.86Å; F102-R106 WeakPolarHBondContact O-CB 3.29Å; F102-R106 PolarHBondContact O-N 2.95Å; F102-L155 HydrophobicContact CD1-CD2 4.43Å; F102-L155 HydrophobicContact CE1-CD2 3.71Å; F102-L155 HydrophobicContact CE1-CG 4.38Å; F102-L155 HydrophobicContact CZ-CD1 4.39Å; F102-L155 HydrophobicContact CZ-CD2 4.08Å; F102-F157 HydrophobicContact CD1-CD1 4.17Å; F102-F157 AromaticContact CD1-CD2 3.89Å; F102-F157 HydrophobicContact CD1-CD2 3.89Å; F102-F157 HydrophobicContact CD1-CE1 4.14Å; F102-F157 AromaticContact CD1-CE2 3.88Å; F102-F157 HydrophobicContact CD1-CE2 3.88Å; F102-F157 HydrophobicContact CD1-CG 4.01Å; F102-F157 AromaticContact CD1-CZ 3.99Å; F102-F157 HydrophobicContact CD1-CZ 3.99Å; F102-F157 HydrophobicContact CE1-CB 3.8Å; F102-F157 AromaticContact CE1-CD1 3.65Å; F102-F157 HydrophobicContact CE1-CD1 3.65Å; F102-F157 AromaticContact CE1-CD2 3.81Å; F102-F157 HydrophobicContact CE1-CD2 3.81Å; F102-F157 HydrophobicContact CE1-CE1 4.06Å; F102-F157 HydrophobicContact CE1-CE2 4.22Å; F102-F157 AromaticContact CE1-CG 3.48Å; F102-F157 HydrophobicContact CE1-CG 3.48Å; F102-F157 VanDerWaalsContact CE1-CG 3.48Å; F102-F157 HydrophobicContact CE1-CZ 4.31Å; F102-F157 HydrophobicContact CZ-CB 4.46Å |
| 103 | E | 90.4 | Very high | 90.3 | Very high | 90 Ų | 90 | 56.9 Ų | 56.9 | 42% | 0.421 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 177.9 | -74.5 | -61.6 | 122.1 | 0 | 0 | 111.1 | F99 R106 S107 | F99-E103 HydrophobicContact CD1-CG 4.21Å; F99-E103 HydrophobicContact CD2-CG 4.48Å; F99-E103 HydrophobicContact CE1-CG 3.71Å; F99-E103 HydrophobicContact CE2-CG 4.01Å; F99-E103 HydrophobicContact CZ-CG 3.59Å; F99-E103 PolarHBondContact O-N 2.96Å; E103-R106 PolarHBondContact O-N 3.14Å; E103-S107 WeakPolarHBondContact O-CB 3.37Å; E103-S107 PolarHBondContact O-N 3.42Å |
| 104 | F | 94.4 | Very high | 90.4 | Very high | 40 Ų | 40 | 58.5 Ų | 58.5 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.1 | -50.9 | 177.1 | -174.8 | -100.6 | 0 | 0 | 0 | 111.8 | Q100 I101 F102 R106 S107 L108 I122 W125 | Q100-F104 WeakPolarHBondContact O-CB 3.44Å; Q100-F104 PolarHBondContact O-N 3.48Å; I101-F104 PolarHBondContact O-N 2.94Å; F102-F104 VanDerWaalsContact C-N 3.34Å; F102-F104 PolarHBondContact O-N 2.89Å; F104-R106 VanDerWaalsContact C-N 3.35Å; F104-R106 PolarHBondContact O-N 3.21Å; F104-S107 WeakPolarHBondContact O-CB 3.49Å; F104-S107 PolarHBondContact O-N 3.06Å; F104-S107 PolarHBondContact O-OG 3.37Å; F104-L108 HydrophobicContact CD1-CD1 4.25Å; F104-L108 HydrophobicContact CE1-CD1 3.65Å; F104-L108 HydrophobicContact CE1-CG 4.22Å; F104-L108 HydrophobicContact CZ-CD1 4.15Å; F104-L108 HydrophobicContact CZ-CD2 4.31Å; F104-L108 HydrophobicContact CZ-CG 4.42Å; F104-L108 PolarHBondContact O-N 3Å; F104-I122 HydrophobicContact CD1-CG1 4.44Å; F104-I122 HydrophobicContact CE1-CG1 4.21Å; F104-W125 HydrophobicContact CB-CD2 4.09Å; F104-W125 HydrophobicContact CB-CE3 4.11Å; F104-W125 HydrophobicContact CB-CH2 4Å; F104-W125 HydrophobicContact CB-CZ2 3.96Å; F104-W125 HydrophobicContact CB-CZ3 4.06Å; F104-W125 HydrophobicContact CD1-CB 4.09Å; F104-W125 AromaticContact CD1-CD2 3.67Å; F104-W125 HydrophobicContact CD1-CD2 3.67Å; F104-W125 AromaticContact CD1-CE3 3.68Å; F104-W125 HydrophobicContact CD1-CE3 3.68Å; F104-W125 AromaticContact CD1-CG 3.85Å; F104-W125 HydrophobicContact CD1-CG 3.85Å; F104-W125 HydrophobicContact CD1-CZ3 4.38Å; F104-W125 HydrophobicContact CD2-CB 4.44Å; F104-W125 AromaticContact CD2-CD1 3.56Å; F104-W125 AromaticContact CD2-CD2 3.73Å; F104-W125 HydrophobicContact CD2-CD2 3.73Å; F104-W125 AromaticContact CD2-CE2 3.7Å; F104-W125 HydrophobicContact CD2-CE3 4.47Å; F104-W125 AromaticContact CD2-CG 3.66Å; F104-W125 HydrophobicContact CD2-CG 3.66Å; F104-W125 HydrophobicContact CD2-CZ2 4.44Å; F104-W125 AromaticContact CD2-NE1 3.57Å; F104-W125 HydrophobicContact CE1-CB 3.49Å; F104-W125 VanDerWaalsContact CE1-CB 3.49Å; F104-W125 HydrophobicContact CE1-CD2 4.02Å; F104-W125 HydrophobicContact CE1-CE3 4.26Å; F104-W125 AromaticContact CE1-CG 3.69Å; F104-W125 HydrophobicContact CE1-CG 3.69Å; F104-W125 HydrophobicContact CE2-CB 3.89Å; F104-W125 AromaticContact CE2-CD1 3.37Å; F104-W125 HydrophobicContact CE2-CD2 4.06Å; F104-W125 AromaticContact CE2-CG 3.48Å; F104-W125 HydrophobicContact CE2-CG 3.48Å; F104-W125 VanDerWaalsContact CE2-CG 3.48Å; F104-W125 AromaticContact CE2-NE1 3.87Å; F104-W125 AromaticContact CG-CD2 3.51Å; F104-W125 HydrophobicContact CG-CD2 3.51Å; F104-W125 AromaticContact CG-CE2 3.73Å; F104-W125 AromaticContact CG-CE3 3.8Å; F104-W125 HydrophobicContact CG-CE3 3.8Å; F104-W125 AromaticContact CG-CG 3.84Å; F104-W125 HydrophobicContact CG-CG 3.84Å; F104-W125 HydrophobicContact CG-CH2 4.48Å; F104-W125 HydrophobicContact CG-CZ2 4.23Å; F104-W125 HydrophobicContact CG-CZ3 4.27Å; F104-W125 HydrophobicContact CZ-CB 3.36Å; F104-W125 AromaticContact CZ-CD1 3.83Å; F104-W125 HydrophobicContact CZ-CD2 4.2Å; F104-W125 AromaticContact CZ-CG 3.49Å; F104-W125 HydrophobicContact CZ-CG 3.49Å; F104-W125 VanDerWaalsContact CZ-CG 3.49Å |
| 105 | V | 95.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 179.5 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | I101 F102 S107 L108 L109 I122 F157 L159 Y164 | I101-V105 HydrophobicContact CG2-CG2 4.33Å; I101-V105 WeakPolarHBondContact O-CG2 3.39Å; I101-V105 PolarHBondContact O-N 3.45Å; F102-V105 PolarHBondContact O-N 2.86Å; V105-S107 VanDerWaalsContact C-N 3.32Å; V105-S107 PolarHBondContact O-N 3.22Å; V105-L108 WeakPolarHBondContact O-CB 3.32Å; V105-L108 PolarHBondContact O-N 3.03Å; V105-L108 VanDerWaalsContact O-N 3.1Å; V105-L109 PolarHBondContact O-N 2.93Å; V105-I122 HydrophobicContact CG1-CD1 4.4Å; V105-I122 HydrophobicContact CG2-CD1 3.76Å; V105-I122 HydrophobicContact CG2-CG1 4Å; V105-I122 HydrophobicContact CG2-CG2 4.41Å; V105-F157 HydrophobicContact CB-CZ 4.19Å; V105-F157 HydrophobicContact CG1-CE2 4.32Å; V105-F157 HydrophobicContact CG1-CZ 4.21Å; V105-F157 HydrophobicContact CG2-CZ 4Å; V105-L159 HydrophobicContact CG1-CD2 4.09Å; V105-Y164 HydrophobicContact CG1-CD1 3.85Å; V105-Y164 HydrophobicContact CG1-CE1 3.56Å; V105-Y164 HydrophobicContact CG1-CE2 4.35Å; V105-Y164 HydrophobicContact CG1-CG 4.35Å |
| 106 | R | 92.1 | Very high | 91 | Very high | 81 Ų | 81 | 64.4 Ų | 64.4 | 31% | 0.306 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 175.9 | -179.3 | 171.8 | -98.4 | 174 | -6.5 | 111.5 | D85 F102 E103 F104 L108 L109 L159 | D85-R106 VanDerWaalsContact CG-NH2 3.3Å; D85-R106 IonicContact OD1-NH2 3.3Å; D85-R106 PolarHBondContact OD1-NH2 2.92Å; D85-R106 IonicContact OD2-CZ 2.87Å; D85-R106 IonicContact OD2-NH2 2.94Å; D85-R106 PolarHBondContact OD2-NH2 3.48Å; F102-R106 WeakPolarHBondContact O-CB 3.29Å; F102-R106 PolarHBondContact O-N 2.95Å; E103-R106 PolarHBondContact O-N 3.14Å; F104-R106 VanDerWaalsContact C-N 3.35Å; F104-R106 PolarHBondContact O-N 3.21Å; R106-L108 PolarHBondContact O-N 3.24Å; R106-L108 VanDerWaalsContact O-N 3.16Å; R106-L109 WeakPolarHBondContact O-CB 3.46Å; R106-L109 PolarHBondContact O-N 3.22Å; R106-L159 HydrophobicContact CB-CD2 4.32Å |
| 107 | S | 92.2 | Very high | 91.5 | Very high | 49 Ų | 49 | 63.9 Ų | 63.9 | 34% | 0.343 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.6 | -22.6 | 177.1 | 84 | 0 | 0 | 0 | 0 | 114.1 | E103 F104 V105 K111 | E103-S107 WeakPolarHBondContact O-CB 3.37Å; E103-S107 PolarHBondContact O-N 3.42Å; F104-S107 WeakPolarHBondContact O-CB 3.49Å; F104-S107 PolarHBondContact O-N 3.06Å; F104-S107 PolarHBondContact O-OG 3.37Å; V105-S107 VanDerWaalsContact C-N 3.32Å; V105-S107 PolarHBondContact O-N 3.22Å; S107-K111 WeakPolarHBondContact O-CE 3.34Å |
| 108 | L | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -84.2 | -23.8 | 176.5 | -62.1 | -177.4 | 0 | 0 | 0 | 112.8 | F104 V105 R106 D110 K111 L113 M118 M121 I122 | F104-L108 HydrophobicContact CD1-CD1 4.25Å; F104-L108 HydrophobicContact CE1-CD1 3.65Å; F104-L108 HydrophobicContact CE1-CG 4.22Å; F104-L108 HydrophobicContact CZ-CD1 4.15Å; F104-L108 HydrophobicContact CZ-CD2 4.31Å; F104-L108 HydrophobicContact CZ-CG 4.42Å; F104-L108 PolarHBondContact O-N 3Å; V105-L108 WeakPolarHBondContact O-CB 3.32Å; V105-L108 PolarHBondContact O-N 3.03Å; V105-L108 VanDerWaalsContact O-N 3.1Å; R106-L108 PolarHBondContact O-N 3.24Å; R106-L108 VanDerWaalsContact O-N 3.16Å; L108-D110 PolarHBondContact O-N 2.84Å; L108-K111 HydrophobicContact CD2-CD 4.12Å; L108-K111 PolarHBondContact O-N 2.84Å; L108-K111 VanDerWaalsContact O-N 3.15Å; L108-L113 HydrophobicContact CB-CD1 4.29Å; L108-L113 HydrophobicContact CD2-CD1 4.1Å; L108-M118 HydrophobicContact CB-CE 4.32Å; L108-M118 HydrophobicContact CB-CG 4.42Å; L108-M118 HydrophobicContact CD1-CG 4.2Å; L108-M121 HydrophobicContact CD1-CB 4.05Å; L108-M121 HydrophobicContact CD2-CE 3.65Å; L108-M121 HydrophobicContact CD2-SD 4.17Å; L108-I122 HydrophobicContact CD1-CD1 4.36Å; L108-I122 HydrophobicContact CD1-CG1 3.65Å |
| 109 | L | 89.9 | Confident | 92 | Very high | 41 Ų | 41 | 63.9 Ų | 63.9 | 22% | 0.215 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.3 | -29.2 | -179.1 | -65.3 | -177.5 | 0 | 0 | 0 | 112.6 | V105 R106 K111 M118 L159 K160 | V105-L109 PolarHBondContact O-N 2.93Å; R106-L109 WeakPolarHBondContact O-CB 3.46Å; R106-L109 PolarHBondContact O-N 3.22Å; L109-K111 VanDerWaalsContact C-N 3.3Å; L109-M118 HydrophobicContact CD2-CE 3.97Å; L109-M118 HydrophobicContact CD2-SD 4.29Å; L109-L159 HydrophobicContact CD1-CD2 3.59Å; L109-L159 HydrophobicContact CD1-CG 3.99Å; L109-K160 HydrophobicContact CD1-CD 4.13Å |
| 110 | D | 84.8 | Confident | 92.5 | Very high | 139 Ų | 139 | 65.2 Ų | 65.2 | 74% | 0.743 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -8.3 | -179.1 | -61 | -28.2 | 0 | 0 | 0 | 113 | L108 | L108-D110 PolarHBondContact O-N 2.84Š|
| 111 | K | 89.2 | Confident | 92.8 | Very high | 116 Ų | 116 | 65 Ų | 65 | 50% | 0.504 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 6.1 | -172.4 | -63.2 | -175.6 | -175.5 | 177 | 0 | 114.7 | S107 L108 L109 L113 | S107-K111 WeakPolarHBondContact O-CE 3.34Å; L108-K111 HydrophobicContact CD2-CD 4.12Å; L108-K111 PolarHBondContact O-N 2.84Å; L108-K111 VanDerWaalsContact O-N 3.15Å; L109-K111 VanDerWaalsContact C-N 3.3Å; K111-L113 HydrophobicContact CB-CD1 3.92Å; K111-L113 HydrophobicContact CB-CD2 4.37Å; K111-L113 HydrophobicContact CB-CG 3.76Å; K111-L113 HydrophobicContact CD-CD1 4.49Å; K111-L113 PolarHBondContact O-N 2.97Å; K111-L113 VanDerWaalsContact O-N 3.15Å |
| 112 | N | 86.8 | Confident | 92.9 | Very high | 161 Ų | 161 | 65 Ų | 65 | 86% | 0.861 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.1 | 42.8 | -179.1 | -161.6 | 33.3 | 0 | 0 | 0 | 113.9 | ||
| 113 | L | 91.3 | Very high | 93.2 | Very high | 55 Ų | 55 | 67.7 Ų | 67.7 | 29% | 0.288 | 34% | 0.343 | S | S | . | . | trans | -81.9 | 153.6 | -177.7 | -63.3 | 169.1 | 0 | 0 | 0 | 111.4 | L108 K111 D117 M121 | L108-L113 HydrophobicContact CB-CD1 4.29Å; L108-L113 HydrophobicContact CD2-CD1 4.1Å; K111-L113 HydrophobicContact CB-CD1 3.92Å; K111-L113 HydrophobicContact CB-CD2 4.37Å; K111-L113 HydrophobicContact CB-CG 3.76Å; K111-L113 HydrophobicContact CD-CD1 4.49Å; K111-L113 PolarHBondContact O-N 2.97Å; K111-L113 VanDerWaalsContact O-N 3.15Å; L113-D117 HydrophobicContact CB-CB 4.38Å; L113-M121 HydrophobicContact CD1-CE 4.49Å; L113-M121 HydrophobicContact CD1-SD 3.51Å; L113-M121 VanDerWaalsContact CD1-SD 3.51Å; L113-M121 HydrophobicContact CD2-SD 4.39Å | ||
| 114 | S | 93 | Very high | 93.5 | Very high | 51 Ų | 51 | 68.7 Ų | 68.7 | 36% | 0.357 | 35% | 0.348 | S | S | . | . | trans | -65.3 | 155.6 | 166 | 81.3 | 0 | 0 | 0 | 0 | 110.4 | Q116 D117 M118 | S114-Q116 PolarHBondContact O-N 2.67Å; S114-D117 WeakPolarHBondContact CB-OD2 3.21Å; S114-D117 PolarHBondContact O-N 2.82Å; S114-D117 PolarHBondContact OG-N 2.77Å; S114-D117 VanDerWaalsContact OG-N 3.09Å; S114-D117 PolarHBondContact OG-OD2 2.89Å; S114-M118 WeakPolarHBondContact O-CB 3.37Å; S114-M118 PolarHBondContact O-N 2.83Å | ||
| 115 | V | 91.9 | Very high | 93.7 | Very high | 65 Ų | 65 | 69.3 Ų | 69.3 | 39% | 0.394 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.8 | -32.9 | 176.9 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | T119 I138 | V115-T119 WeakPolarHBondContact O-CB 3.46Å; V115-T119 PolarHBondContact O-N 3.42Å; V115-T119 PolarHBondContact O-OG1 3.25Å; V115-I138 HydrophobicContact CG1-CB 4.15Å; V115-I138 HydrophobicContact CG1-CD1 4.43Å; V115-I138 HydrophobicContact CG1-CG2 4.27Å |
| 116 | Q | 93.6 | Very high | 93.8 | Very high | 161 Ų | 161 | 69.3 Ų | 69.3 | 75% | 0.752 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.3 | -48.9 | 177.4 | -69.6 | 177.9 | -20.9 | 0 | 0 | 111.1 | S114 M118 T119 Q120 | S114-Q116 PolarHBondContact O-N 2.67Å; Q116-M118 VanDerWaalsContact C-N 3.31Å; Q116-M118 PolarHBondContact O-N 3.11Å; Q116-T119 PolarHBondContact O-N 2.98Å; Q116-Q120 PolarHBondContact O-N 3.18Å |
| 117 | D | 95.6 | Very high | 94 | Very high | 75 Ų | 75 | 67.2 Ų | 67.2 | 40% | 0.401 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 176.9 | -60.5 | -40.5 | 0 | 0 | 0 | 110.7 | L113 S114 T119 Q120 M121 | L113-D117 HydrophobicContact CB-CB 4.38Å; S114-D117 WeakPolarHBondContact CB-OD2 3.21Å; S114-D117 PolarHBondContact O-N 2.82Å; S114-D117 PolarHBondContact OG-N 2.77Å; S114-D117 VanDerWaalsContact OG-N 3.09Å; S114-D117 PolarHBondContact OG-OD2 2.89Å; D117-T119 PolarHBondContact O-N 3.15Å; D117-Q120 PolarHBondContact O-N 3.36Å; D117-M121 WeakPolarHBondContact O-CB 3.2Å; D117-M121 VanDerWaalsContact O-CG 3.25Å; D117-M121 WeakPolarHBondContact O-CG 3.36Å; D117-M121 PolarHBondContact O-N 2.78Å |
| 118 | M | 95.9 | Very high | 94.2 | Very high | 12 Ų | 12 | 73.8 Ų | 73.8 | 6% | 0.059 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.4 | -47.1 | 177.5 | -173.3 | 177.1 | -70.5 | 0 | 0 | 111.7 | L108 L109 S114 Q116 Q120 M121 I122 I138 Y164 | L108-M118 HydrophobicContact CB-CE 4.32Å; L108-M118 HydrophobicContact CB-CG 4.42Å; L108-M118 HydrophobicContact CD1-CG 4.2Å; L109-M118 HydrophobicContact CD2-CE 3.97Å; L109-M118 HydrophobicContact CD2-SD 4.29Å; S114-M118 WeakPolarHBondContact O-CB 3.37Å; S114-M118 PolarHBondContact O-N 2.83Å; Q116-M118 VanDerWaalsContact C-N 3.31Å; Q116-M118 PolarHBondContact O-N 3.11Å; M118-Q120 VanDerWaalsContact C-N 3.33Å; M118-Q120 PolarHBondContact O-N 3.04Å; M118-M121 PolarHBondContact O-N 2.93Å; M118-I122 HydrophobicContact CG-CD1 3.89Å; M118-I122 WeakPolarHBondContact O-CD1 3.49Å; M118-I122 WeakPolarHBondContact O-CG1 3.31Å; M118-I122 PolarHBondContact O-N 2.88Å; M118-I138 HydrophobicContact CB-CD1 4.1Å; M118-I138 HydrophobicContact CG-CD1 3.78Å; M118-I138 HydrophobicContact SD-CD1 3.96Å; M118-Y164 HydrophobicContact SD-CE1 4.23Å |
| 119 | T | 96.3 | Very high | 94.3 | Very high | 37 Ų | 37 | 76.4 Ų | 76.4 | 23% | 0.227 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.5 | -44.9 | 178 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | V115 Q116 D117 K123 V136 I138 | V115-T119 WeakPolarHBondContact O-CB 3.46Å; V115-T119 PolarHBondContact O-N 3.42Å; V115-T119 PolarHBondContact O-OG1 3.25Å; Q116-T119 PolarHBondContact O-N 2.98Å; D117-T119 PolarHBondContact O-N 3.15Å; T119-K123 PolarHBondContact O-N 2.87Å; T119-V136 HydrophobicContact CG2-CB 3.96Å; T119-V136 HydrophobicContact CG2-CG1 3.92Å; T119-V136 WeakPolarHBondContact CG2-O 3.25Å; T119-I138 VanDerWaalsContact OG1-CD1 3.28Å; T119-I138 WeakPolarHBondContact OG1-CD1 3.41Å |
| 120 | Q | 96.8 | Very high | 94.5 | Very high | 110 Ų | 110 | 75.5 Ų | 75.5 | 51% | 0.514 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 179.3 | -173.9 | 177 | 16.1 | 0 | 0 | 112.1 | Q116 D117 M118 K123 Q124 | Q116-Q120 PolarHBondContact O-N 3.18Å; D117-Q120 PolarHBondContact O-N 3.36Å; M118-Q120 VanDerWaalsContact C-N 3.33Å; M118-Q120 PolarHBondContact O-N 3.04Å; Q120-K123 PolarHBondContact O-N 2.85Å; Q120-Q124 HydrophobicContact CG-CG 4.43Å; Q120-Q124 WeakPolarHBondContact O-CB 3.5Å; Q120-Q124 VanDerWaalsContact O-CG 3.31Å; Q120-Q124 WeakPolarHBondContact O-CG 3.49Å; Q120-Q124 PolarHBondContact O-N 3.29Å |
| 121 | M | 97.2 | Very high | 94.8 | Very high | 62 Ų | 62 | 73.3 Ų | 73.3 | 31% | 0.305 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63 | -42 | 178.5 | -73.7 | -176.5 | 76 | 0 | 0 | 112 | L108 L113 D117 M118 Q124 W125 | L108-M121 HydrophobicContact CD1-CB 4.05Å; L108-M121 HydrophobicContact CD2-CE 3.65Å; L108-M121 HydrophobicContact CD2-SD 4.17Å; L113-M121 HydrophobicContact CD1-CE 4.49Å; L113-M121 HydrophobicContact CD1-SD 3.51Å; L113-M121 VanDerWaalsContact CD1-SD 3.51Å; L113-M121 HydrophobicContact CD2-SD 4.39Å; D117-M121 WeakPolarHBondContact O-CB 3.2Å; D117-M121 VanDerWaalsContact O-CG 3.25Å; D117-M121 WeakPolarHBondContact O-CG 3.36Å; D117-M121 PolarHBondContact O-N 2.78Å; M118-M121 PolarHBondContact O-N 2.93Å; M121-Q124 PolarHBondContact O-N 2.91Å; M121-W125 WeakPolarHBondContact O-CB 3.35Å; M121-W125 PolarHBondContact O-N 3.42Å |
| 122 | I | 97.9 | Very high | 95 | Very high | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 174.9 | -64.4 | 166.3 | 0 | 0 | 0 | 110.1 | F104 V105 L108 M118 Q124 W125 L126 V136 I138 Y164 V166 | F104-I122 HydrophobicContact CD1-CG1 4.44Å; F104-I122 HydrophobicContact CE1-CG1 4.21Å; V105-I122 HydrophobicContact CG1-CD1 4.4Å; V105-I122 HydrophobicContact CG2-CD1 3.76Å; V105-I122 HydrophobicContact CG2-CG1 4Å; V105-I122 HydrophobicContact CG2-CG2 4.41Å; L108-I122 HydrophobicContact CD1-CD1 4.36Å; L108-I122 HydrophobicContact CD1-CG1 3.65Å; M118-I122 HydrophobicContact CG-CD1 3.89Å; M118-I122 WeakPolarHBondContact O-CD1 3.49Å; M118-I122 WeakPolarHBondContact O-CG1 3.31Å; M118-I122 PolarHBondContact O-N 2.88Å; I122-Q124 PolarHBondContact O-N 2.67Å; I122-W125 PolarHBondContact O-N 3.38Å; I122-L126 HydrophobicContact CG2-CD1 3.77Å; I122-L126 HydrophobicContact CG2-CG 4.29Å; I122-L126 WeakPolarHBondContact O-CB 3.34Å; I122-L126 VanDerWaalsContact O-CG 3.28Å; I122-L126 WeakPolarHBondContact O-CG 3.25Å; I122-L126 PolarHBondContact O-N 3.46Å; I122-V136 HydrophobicContact CB-CG1 4.05Å; I122-V136 HydrophobicContact CB-CG2 4.33Å; I122-V136 HydrophobicContact CD1-CG1 4.45Å; I122-V136 HydrophobicContact CG2-CG1 3.83Å; I122-V136 HydrophobicContact CG2-CG2 3.83Å; I122-I138 HydrophobicContact CD1-CD1 4.1Å; I122-Y164 HydrophobicContact CD1-CD1 4.23Å; I122-Y164 HydrophobicContact CD1-CE1 4.35Å; I122-V166 HydrophobicContact CG2-CG1 4.29Å |
| 123 | K | 97.8 | Very high | 95.4 | Very high | 75 Ų | 75 | 64.5 Ų | 64.5 | 33% | 0.326 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.3 | -49.2 | 178.8 | -177.4 | -178 | 175.8 | 4.3 | 0 | 111.8 | T119 Q120 W125 L126 D127 W134 V136 | T119-K123 PolarHBondContact O-N 2.87Å; Q120-K123 PolarHBondContact O-N 2.85Å; K123-W125 VanDerWaalsContact C-N 3.31Å; K123-W125 PolarHBondContact O-N 3.48Å; K123-L126 PolarHBondContact O-N 3.34Å; K123-D127 IonicContact NZ-OD1 3.96Å; K123-D127 PolarHBondContact NZ-OD1 2.8Å; K123-D127 IonicContact NZ-OD2 3.38Å; K123-D127 PolarHBondContact NZ-OD2 3.17Å; K123-D127 WeakPolarHBondContact O-CB 3.44Å; K123-D127 PolarHBondContact O-N 2.99Å; K123-W134 VanDerWaalsContact CE-O 3.25Å; K123-W134 WeakPolarHBondContact CE-O 3.32Å; K123-W134 PolarHBondContact NZ-O 3.41Å; K123-V136 HydrophobicContact CB-CB 4.49Å; K123-V136 HydrophobicContact CB-CG2 3.75Å; K123-V136 HydrophobicContact CG-CG2 4.46Å |
| 124 | Q | 97.5 | Very high | 95.6 | Very high | 111 Ų | 111 | 61.9 Ų | 61.9 | 52% | 0.519 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | -179.4 | -75.2 | 173.6 | -11 | 0 | 0 | 112.1 | Q120 M121 I122 K128 | Q120-Q124 HydrophobicContact CG-CG 4.43Å; Q120-Q124 WeakPolarHBondContact O-CB 3.5Å; Q120-Q124 VanDerWaalsContact O-CG 3.31Å; Q120-Q124 WeakPolarHBondContact O-CG 3.49Å; Q120-Q124 PolarHBondContact O-N 3.29Å; M121-Q124 PolarHBondContact O-N 2.91Å; I122-Q124 PolarHBondContact O-N 2.67Å; Q124-K128 WeakPolarHBondContact O-CB 3.38Å; Q124-K128 PolarHBondContact O-N 2.67Å; Q124-K128 VanDerWaalsContact O-N 3.15Å |
| 125 | W | 97.9 | Very high | 95.8 | Very high | 53 Ų | 53 | 63 Ų | 63 | 20% | 0.201 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.8 | -45.8 | 176.4 | 178.2 | 83.2 | 0 | 0 | 0 | 111.4 | Q100 I101 F104 M121 I122 K123 D127 K128 T129 F130 | Q100-W125 HydrophobicContact CB-CH2 3.97Å; Q100-W125 HydrophobicContact CB-CZ2 4.36Å; Q100-W125 WeakPolarHBondContact O-CH2 2.99Å; I101-W125 HydrophobicContact CB-CZ3 4.48Å; I101-W125 HydrophobicContact CG1-CH2 4.24Å; I101-W125 HydrophobicContact CG1-CZ3 3.86Å; F104-W125 HydrophobicContact CB-CD2 4.09Å; F104-W125 HydrophobicContact CB-CE3 4.11Å; F104-W125 HydrophobicContact CB-CH2 4Å; F104-W125 HydrophobicContact CB-CZ2 3.96Å; F104-W125 HydrophobicContact CB-CZ3 4.06Å; F104-W125 HydrophobicContact CD1-CB 4.09Å; F104-W125 AromaticContact CD1-CD2 3.67Å; F104-W125 HydrophobicContact CD1-CD2 3.67Å; F104-W125 AromaticContact CD1-CE3 3.68Å; F104-W125 HydrophobicContact CD1-CE3 3.68Å; F104-W125 AromaticContact CD1-CG 3.85Å; F104-W125 HydrophobicContact CD1-CG 3.85Å; F104-W125 HydrophobicContact CD1-CZ3 4.38Å; F104-W125 HydrophobicContact CD2-CB 4.44Å; F104-W125 AromaticContact CD2-CD1 3.56Å; F104-W125 AromaticContact CD2-CD2 3.73Å; F104-W125 HydrophobicContact CD2-CD2 3.73Å; F104-W125 AromaticContact CD2-CE2 3.7Å; F104-W125 HydrophobicContact CD2-CE3 4.47Å; F104-W125 AromaticContact CD2-CG 3.66Å; F104-W125 HydrophobicContact CD2-CG 3.66Å; F104-W125 HydrophobicContact CD2-CZ2 4.44Å; F104-W125 AromaticContact CD2-NE1 3.57Å; F104-W125 HydrophobicContact CE1-CB 3.49Å; F104-W125 VanDerWaalsContact CE1-CB 3.49Å; F104-W125 HydrophobicContact CE1-CD2 4.02Å; F104-W125 HydrophobicContact CE1-CE3 4.26Å; F104-W125 AromaticContact CE1-CG 3.69Å; F104-W125 HydrophobicContact CE1-CG 3.69Å; F104-W125 HydrophobicContact CE2-CB 3.89Å; F104-W125 AromaticContact CE2-CD1 3.37Å; F104-W125 HydrophobicContact CE2-CD2 4.06Å; F104-W125 AromaticContact CE2-CG 3.48Å; F104-W125 HydrophobicContact CE2-CG 3.48Å; F104-W125 VanDerWaalsContact CE2-CG 3.48Å; F104-W125 AromaticContact CE2-NE1 3.87Å; F104-W125 AromaticContact CG-CD2 3.51Å; F104-W125 HydrophobicContact CG-CD2 3.51Å; F104-W125 AromaticContact CG-CE2 3.73Å; F104-W125 AromaticContact CG-CE3 3.8Å; F104-W125 HydrophobicContact CG-CE3 3.8Å; F104-W125 AromaticContact CG-CG 3.84Å; F104-W125 HydrophobicContact CG-CG 3.84Å; F104-W125 HydrophobicContact CG-CH2 4.48Å; F104-W125 HydrophobicContact CG-CZ2 4.23Å; F104-W125 HydrophobicContact CG-CZ3 4.27Å; F104-W125 HydrophobicContact CZ-CB 3.36Å; F104-W125 AromaticContact CZ-CD1 3.83Å; F104-W125 HydrophobicContact CZ-CD2 4.2Å; F104-W125 AromaticContact CZ-CG 3.49Å; F104-W125 HydrophobicContact CZ-CG 3.49Å; F104-W125 VanDerWaalsContact CZ-CG 3.49Å; M121-W125 WeakPolarHBondContact O-CB 3.35Å; M121-W125 PolarHBondContact O-N 3.42Å; I122-W125 PolarHBondContact O-N 3.38Å; K123-W125 VanDerWaalsContact C-N 3.31Å; K123-W125 PolarHBondContact O-N 3.48Å; W125-D127 PolarHBondContact O-N 3.43Å; W125-K128 PolarHBondContact O-N 3.42Å; W125-T129 HydrophobicContact CH2-CG2 4.44Å; W125-T129 HydrophobicContact CZ2-CG2 4.15Å; W125-T129 WeakPolarHBondContact O-CB 3.38Å; W125-T129 PolarHBondContact O-N 3.34Å; W125-T129 PolarHBondContact O-OG1 3.44Å; W125-F130 AromaticContact CH2-CE2 3.8Å; W125-F130 HydrophobicContact CH2-CE2 3.8Å; W125-F130 HydrophobicContact CH2-CZ 4.32Å; W125-F130 AromaticContact CZ3-CE2 3.85Å; W125-F130 HydrophobicContact CZ3-CE2 3.85Å |
| 126 | L | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 176.1 | -72.9 | 168.4 | 0 | 0 | 0 | 112.2 | I101 I122 K123 K128 T129 F130 W134 V136 V166 | I101-L126 HydrophobicContact CD1-CD2 4.06Å; I101-L126 HydrophobicContact CG1-CD2 3.92Å; I122-L126 HydrophobicContact CG2-CD1 3.77Å; I122-L126 HydrophobicContact CG2-CG 4.29Å; I122-L126 WeakPolarHBondContact O-CB 3.34Å; I122-L126 VanDerWaalsContact O-CG 3.28Å; I122-L126 WeakPolarHBondContact O-CG 3.25Å; I122-L126 PolarHBondContact O-N 3.46Å; K123-L126 PolarHBondContact O-N 3.34Å; L126-K128 PolarHBondContact O-N 2.93Å; L126-T129 PolarHBondContact O-N 3.2Å; L126-F130 HydrophobicContact CD2-CD2 3.75Å; L126-F130 HydrophobicContact CD2-CE2 3.93Å; L126-F130 PolarHBondContact O-N 3.49Å; L126-W134 HydrophobicContact CB-CB 3.86Å; L126-W134 HydrophobicContact CB-CD2 3.78Å; L126-W134 HydrophobicContact CB-CE3 4.39Å; L126-W134 HydrophobicContact CB-CG 3.5Å; L126-W134 HydrophobicContact CD1-CB 4.16Å; L126-W134 HydrophobicContact CD1-CD2 4.04Å; L126-W134 HydrophobicContact CD1-CE3 3.83Å; L126-W134 HydrophobicContact CD1-CG 4.21Å; L126-W134 HydrophobicContact CD2-CD2 4.22Å; L126-W134 HydrophobicContact CD2-CE3 4.2Å; L126-W134 HydrophobicContact CD2-CH2 4.46Å; L126-W134 HydrophobicContact CD2-CZ2 4.49Å; L126-W134 HydrophobicContact CD2-CZ3 4.32Å; L126-W134 HydrophobicContact CG-CD2 4.25Å; L126-W134 HydrophobicContact CG-CE3 4.38Å; L126-W134 HydrophobicContact CG-CG 4.38Å; L126-W134 PolarHBondContact O-NE1 2.86Å; L126-V136 HydrophobicContact CD1-CG2 3.77Å; L126-V166 HydrophobicContact CD1-CB 3.91Å; L126-V166 HydrophobicContact CD1-CG1 3.85Å |
| 127 | D | 96.9 | Very high | 96.3 | Very high | 38 Ų | 38 | 55.7 Ų | 55.7 | 20% | 0.203 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.8 | -30.8 | 178.5 | -75.2 | -28.1 | 0 | 0 | 0 | 112.4 | K123 W125 D131 P132 S133 W134 | K123-D127 IonicContact NZ-OD1 3.96Å; K123-D127 PolarHBondContact NZ-OD1 2.8Å; K123-D127 IonicContact NZ-OD2 3.38Å; K123-D127 PolarHBondContact NZ-OD2 3.17Å; K123-D127 WeakPolarHBondContact O-CB 3.44Å; K123-D127 PolarHBondContact O-N 2.99Å; W125-D127 PolarHBondContact O-N 3.43Å; D127-D131 WeakPolarHBondContact CA-O 3.48Å; D127-D131 CarbonylContact O-C 3.56Å; D127-D131 WeakPolarHBondContact O-CA 3.25Å; D127-P132 HydrophobicContact CB-CB 4.5Å; D127-P132 WeakPolarHBondContact OD1-CA 3.45Å; D127-S133 PolarHBondContact OD1-N 2.89Å; D127-W134 PolarHBondContact OD1-N 2.9Å |
| 128 | K | 96.5 | Very high | 96.3 | Very high | 186 Ų | 186 | 53.3 Ų | 53.3 | 81% | 0.809 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -80.6 | -37.5 | 177.2 | -173.7 | -177.9 | 177.5 | -175.5 | 0 | 112.5 | Q124 W125 L126 | Q124-K128 WeakPolarHBondContact O-CB 3.38Å; Q124-K128 PolarHBondContact O-N 2.67Å; Q124-K128 VanDerWaalsContact O-N 3.15Å; W125-K128 PolarHBondContact O-N 3.42Å; L126-K128 PolarHBondContact O-N 2.93Å |
| 129 | T | 95.5 | Very high | 96.3 | Very high | 56 Ų | 56 | 54.3 Ų | 54.3 | 34% | 0.344 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -87.2 | -37.9 | -172.1 | -56.7 | 0 | 0 | 0 | 0 | 112.7 | W125 L126 | W125-T129 HydrophobicContact CH2-CG2 4.44Å; W125-T129 HydrophobicContact CZ2-CG2 4.15Å; W125-T129 WeakPolarHBondContact O-CB 3.38Å; W125-T129 PolarHBondContact O-N 3.34Å; W125-T129 PolarHBondContact O-OG1 3.44Å; L126-T129 PolarHBondContact O-N 3.2Å |
| 130 | F | 93.6 | Very high | 96.2 | Very high | 22 Ų | 22 | 58.8 Ų | 58.8 | 10% | 0.096 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -125 | 28.3 | -171.6 | -55 | -73 | 0 | 0 | 0 | 113.1 | D97 Q100 I101 W125 L126 W134 R168 | D97-F130 HydrophobicContact CB-CE1 3.78Å; D97-F130 HydrophobicContact CB-CZ 3.96Å; D97-F130 WeakPolarHBondContact OD1-CE1 3.49Å; Q100-F130 HydrophobicContact CB-CZ 4.45Å; I101-F130 HydrophobicContact CD1-CE2 4.43Å; I101-F130 HydrophobicContact CG1-CE2 4.12Å; W125-F130 AromaticContact CH2-CE2 3.8Å; W125-F130 HydrophobicContact CH2-CE2 3.8Å; W125-F130 HydrophobicContact CH2-CZ 4.32Å; W125-F130 AromaticContact CZ3-CE2 3.85Å; W125-F130 HydrophobicContact CZ3-CE2 3.85Å; L126-F130 HydrophobicContact CD2-CD2 3.75Å; L126-F130 HydrophobicContact CD2-CE2 3.93Å; L126-F130 PolarHBondContact O-N 3.49Å; F130-W134 HydrophobicContact CB-CZ2 3.52Å; F130-W134 HydrophobicContact CD2-CZ2 4.11Å; F130-W134 HydrophobicContact CG-CZ2 4.03Å; F130-R168 PolarHBondContact O-NH1 3.28Å |
| 131 | D | 92 | Very high | 96 | Very high | 93 Ų | 93 | 55.5 Ų | 55.5 | 50% | 0.497 | 29% | 0.292 | S | S | . | . | trans | 63.9 | 163.2 | -168.7 | -45 | -57.3 | 0 | 0 | 0 | 115.7 | D127 W134 R168 | D127-D131 WeakPolarHBondContact CA-O 3.48Å; D127-D131 CarbonylContact O-C 3.56Å; D127-D131 WeakPolarHBondContact O-CA 3.25Å; D131-W134 PolarHBondContact O-NE1 2.77Å; D131-R168 IonicContact OD2-CZ 2.78Å; D131-R168 IonicContact OD2-NH1 2.67Å; D131-R168 PolarHBondContact OD2-NH1 3.37Å; D131-R168 IonicContact OD2-NH2 3.86Å; D131-R168 PolarHBondContact OD2-NH2 2.92Å | ||
| 132 | P | 93.5 | Very high | 95.8 | Very high | 56 Ų | 56 | 57.5 Ų | 57.5 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -67.2 | 168.7 | -176.9 | -23.3 | 34.9 | 0 | 0 | 0 | 116.4 | D127 R168 | D127-P132 HydrophobicContact CB-CB 4.5Å; D127-P132 WeakPolarHBondContact OD1-CA 3.45Å; P132-R168 PolarHBondContact O-NE 3.45Å |
| 133 | S | 94.5 | Very high | 95.7 | Very high | 35 Ų | 35 | 59.9 Ų | 59.9 | 25% | 0.245 | 32% | 0.321 | C | S | . | . | trans | 89 | 33.1 | 174.7 | -53.8 | 0 | 0 | 0 | 0 | 114.8 | D127 R168 T169 | D127-S133 PolarHBondContact OD1-N 2.89Å; S133-R168 WeakPolarHBondContact O-CA 3.28Å; S133-T169 WeakPolarHBondContact CB-O 3.4Å; S133-T169 PolarHBondContact O-N 3.15Å; S133-T169 PolarHBondContact O-OG1 2.74Å | ||
| 134 | W | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 141.6 | 170.9 | -72.5 | 86.8 | 0 | 0 | 0 | 112.8 | M93 K123 L126 D127 F130 D131 Q153 V166 W167 R168 | M93-W134 HydrophobicContact CE-CH2 4.02Å; K123-W134 VanDerWaalsContact CE-O 3.25Å; K123-W134 WeakPolarHBondContact CE-O 3.32Å; K123-W134 PolarHBondContact NZ-O 3.41Å; L126-W134 HydrophobicContact CB-CB 3.86Å; L126-W134 HydrophobicContact CB-CD2 3.78Å; L126-W134 HydrophobicContact CB-CE3 4.39Å; L126-W134 HydrophobicContact CB-CG 3.5Å; L126-W134 HydrophobicContact CD1-CB 4.16Å; L126-W134 HydrophobicContact CD1-CD2 4.04Å; L126-W134 HydrophobicContact CD1-CE3 3.83Å; L126-W134 HydrophobicContact CD1-CG 4.21Å; L126-W134 HydrophobicContact CD2-CD2 4.22Å; L126-W134 HydrophobicContact CD2-CE3 4.2Å; L126-W134 HydrophobicContact CD2-CH2 4.46Å; L126-W134 HydrophobicContact CD2-CZ2 4.49Å; L126-W134 HydrophobicContact CD2-CZ3 4.32Å; L126-W134 HydrophobicContact CG-CD2 4.25Å; L126-W134 HydrophobicContact CG-CE3 4.38Å; L126-W134 HydrophobicContact CG-CG 4.38Å; L126-W134 PolarHBondContact O-NE1 2.86Å; D127-W134 PolarHBondContact OD1-N 2.9Å; F130-W134 HydrophobicContact CB-CZ2 3.52Å; F130-W134 HydrophobicContact CD2-CZ2 4.11Å; F130-W134 HydrophobicContact CG-CZ2 4.03Å; D131-W134 PolarHBondContact O-NE1 2.77Å; W134-Q153 HydrophobicContact CH2-CB 4.27Å; W134-V166 HydrophobicContact CE3-CB 4.24Å; W134-V166 HydrophobicContact CZ3-CB 4.27Å; W134-V166 HydrophobicContact CZ3-CG2 4.19Å; W134-W167 WeakPolarHBondContact CA-O 3.35Å; W134-R168 HydrophobicContact CD2-CB 4Å; W134-R168 HydrophobicContact CD2-CG 4.39Å; W134-R168 HydrophobicContact CE3-CB 4.25Å; W134-R168 HydrophobicContact CG-CB 4.47Å; W134-R168 HydrophobicContact CG-CG 4.44Å; W134-R168 HydrophobicContact CH2-CB 4.46Å; W134-R168 HydrophobicContact CZ2-CB 4.21Å; W134-R168 HydrophobicContact CZ3-CB 4.48Å |
| 135 | H | 96.8 | Very high | 95.4 | Very high | 74 Ų | 74 | 65.7 Ų | 65.7 | 34% | 0.343 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 141.7 | 168.5 | -59.6 | -81.8 | 0 | 0 | 0 | 108.5 | V166 W167 T169 | H135-V166 VanDerWaalsContact O-CA 3.29Å; H135-V166 WeakPolarHBondContact O-CA 3.29Å; H135-W167 HydrophobicContact CB-CD2 3.8Å; H135-W167 VanDerWaalsContact CB-CE2 3.46Å; H135-W167 HydrophobicContact CB-CE3 4.1Å; H135-W167 HydrophobicContact CB-CG 4.43Å; H135-W167 HydrophobicContact CB-CH2 3.83Å; H135-W167 HydrophobicContact CB-CZ2 3.49Å; H135-W167 VanDerWaalsContact CB-CZ2 3.49Å; H135-W167 HydrophobicContact CB-CZ3 4.12Å; H135-W167 AromaticContact CD2-CD1 3.9Å; H135-W167 AromaticContact CD2-CE2 3.9Å; H135-W167 AromaticContact CD2-NE1 3.43Å; H135-W167 PolarHBondContact CD2-NE1 2.93Å; H135-W167 AromaticContact CG-CE2 3.79Å; H135-W167 AromaticContact CG-CZ2 3.88Å; H135-W167 AromaticContact CG-NE1 3.81Å; H135-W167 PolarHBondContact N-O 2.96Å; H135-W167 PolarHBondContact O-N 3.46Å; H135-W167 VanDerWaalsContact O-N 3.17Å; H135-T169 VanDerWaalsContact NE2-CG2 3.32Å; H135-T169 WeakPolarHBondContact NE2-CG2 3.38Å; H135-T169 PolarHBondContact NE2-OG1 3.28Å |
| 136 | V | 97.8 | Very high | 95 | Very high | 19 Ų | 19 | 69 Ų | 69 | 12% | 0.115 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 127.7 | 179.9 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | T119 I122 K123 L126 I138 L165 V166 | T119-V136 HydrophobicContact CG2-CB 3.96Å; T119-V136 HydrophobicContact CG2-CG1 3.92Å; T119-V136 WeakPolarHBondContact CG2-O 3.25Å; I122-V136 HydrophobicContact CB-CG1 4.05Å; I122-V136 HydrophobicContact CB-CG2 4.33Å; I122-V136 HydrophobicContact CD1-CG1 4.45Å; I122-V136 HydrophobicContact CG2-CG1 3.83Å; I122-V136 HydrophobicContact CG2-CG2 3.83Å; K123-V136 HydrophobicContact CB-CB 4.49Å; K123-V136 HydrophobicContact CB-CG2 3.75Å; K123-V136 HydrophobicContact CG-CG2 4.46Å; L126-V136 HydrophobicContact CD1-CG2 3.77Å; V136-I138 HydrophobicContact CG1-CG1 4.46Å; V136-L165 WeakPolarHBondContact CA-O 3.47Å; V136-V166 HydrophobicContact CB-CG1 4.46Å; V136-V166 HydrophobicContact CG1-CG1 4.15Å; V136-V166 HydrophobicContact CG2-CG1 4.08Å |
| 137 | V | 97.3 | Very high | 94.7 | Very high | 54 Ų | 54 | 71.9 Ų | 71.9 | 33% | 0.327 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 128.4 | 174 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | I139 Y164 L165 W167 | V137-I139 HydrophobicContact CG1-CD1 3.9Å; V137-I139 HydrophobicContact CG1-CG1 3.64Å; V137-Y164 WeakPolarHBondContact O-CA 3.41Å; V137-L165 HydrophobicContact CB-CB 4.28Å; V137-L165 PolarHBondContact N-O 3.26Å; V137-L165 PolarHBondContact O-N 3.28Å; V137-W167 HydrophobicContact CG2-CH2 3.68Å; V137-W167 HydrophobicContact CG2-CZ3 3.75Å |
| 138 | I | 97 | Very high | 94.3 | Very high | 25 Ų | 25 | 75 Ų | 75 | 13% | 0.128 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.4 | 173.7 | -53.7 | -179.4 | 0 | 0 | 0 | 107.8 | V115 M118 T119 I122 V136 K162 C163 Y164 | V115-I138 HydrophobicContact CG1-CB 4.15Å; V115-I138 HydrophobicContact CG1-CD1 4.43Å; V115-I138 HydrophobicContact CG1-CG2 4.27Å; M118-I138 HydrophobicContact CB-CD1 4.1Å; M118-I138 HydrophobicContact CG-CD1 3.78Å; M118-I138 HydrophobicContact SD-CD1 3.96Å; T119-I138 VanDerWaalsContact OG1-CD1 3.28Å; T119-I138 WeakPolarHBondContact OG1-CD1 3.41Å; I122-I138 HydrophobicContact CD1-CD1 4.1Å; V136-I138 HydrophobicContact CG1-CG1 4.46Å; I138-K162 HydrophobicContact CG2-CB 4.26Å; I138-K162 HydrophobicContact CG2-CD 3.94Å; I138-C163 CarbonylContact C-O 3.39Å; I138-C163 WeakPolarHBondContact CA-O 3.21Å; I138-Y164 HydrophobicContact CD1-CD1 4.2Å; I138-Y164 HydrophobicContact CD1-CE1 3.91Å; I138-Y164 HydrophobicContact CG1-CD1 3.87Å; I138-Y164 HydrophobicContact CG1-CE1 4Å; I138-Y164 HydrophobicContact CG2-CD1 4.35Å; I138-Y164 HydrophobicContact CG2-CE1 3.99Å |
| 139 | I | 96.1 | Very high | 93.9 | Very high | 34 Ų | 34 | 68.9 Ų | 68.9 | 17% | 0.174 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 130.5 | -173.6 | -51.7 | -179.4 | 0 | 0 | 0 | 109.2 | V137 Y143 K162 C163 L165 | V137-I139 HydrophobicContact CG1-CD1 3.9Å; V137-I139 HydrophobicContact CG1-CG1 3.64Å; I139-Y143 HydrophobicContact CD1-CD1 3.84Å; I139-Y143 HydrophobicContact CD1-CD2 4.41Å; I139-Y143 HydrophobicContact CD1-CG 3.68Å; I139-K162 CarbonylContact O-C 3.09Å; I139-K162 VanDerWaalsContact O-CA 3.31Å; I139-K162 WeakPolarHBondContact O-CA 3.45Å; I139-C163 HydrophobicContact CB-CB 4.31Å; I139-C163 PolarHBondContact N-O 3.38Å; I139-C163 PolarHBondContact O-N 3.32Å; I139-L165 HydrophobicContact CD1-CD1 3.98Å; I139-L165 HydrophobicContact CD1-CD2 4.42Å; I139-L165 HydrophobicContact CG1-CD1 4.48Å |
| 140 | D | 94 | Very high | 93.4 | Very high | 131 Ų | 131 | 68.5 Ų | 68.5 | 70% | 0.701 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 99.8 | 165.3 | -167.2 | -14.9 | 0 | 0 | 0 | 107.6 | ||
| 141 | G | 92.3 | Very high | 93.1 | Very high | 41 Ų | 41 | 72.1 Ų | 72.1 | 42% | 0.423 | 40% | 0.404 | S | S | . | . | S | Bend | trans | 120.5 | -154.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 142 | S | 92.1 | Very high | 92.9 | Very high | 104 Ų | 104 | 74 Ų | 74 | 73% | 0.727 | 41% | 0.409 | S | S | * | . | trans | -97 | 152.9 | -174.5 | -61.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 143 | Y | 95.7 | Very high | 92.9 | Very high | 50 Ų | 50 | 73 Ų | 73 | 20% | 0.196 | 40% | 0.4 | C | S | . | . | trans | -146.9 | 160.7 | 179.8 | 69.8 | -86.9 | 0 | 0 | 0 | 112.2 | I89 I139 I145 Q156 C163 L165 | I89-Y143 HydrophobicContact CD1-CE1 4.09Å; I89-Y143 WeakPolarHBondContact CD1-OH 3.31Å; I89-Y143 WeakPolarHBondContact CG2-OH 3.28Å; I139-Y143 HydrophobicContact CD1-CD1 3.84Å; I139-Y143 HydrophobicContact CD1-CD2 4.41Å; I139-Y143 HydrophobicContact CD1-CG 3.68Å; Y143-I145 HydrophobicContact CD2-CB 4.4Å; Y143-I145 HydrophobicContact CD2-CG2 4.1Å; Y143-I145 HydrophobicContact CE2-CG2 3.94Å; Y143-Q156 PolarHBondContact OH-OE1 3.16Å; Y143-C163 HydrophobicContact CD1-CB 4.3Å; Y143-C163 HydrophobicContact CE1-CB 3.87Å; Y143-L165 HydrophobicContact CD1-CD1 4.37Å; Y143-L165 HydrophobicContact CD2-CD2 3.91Å; Y143-L165 HydrophobicContact CE1-CD1 3.87Å; Y143-L165 HydrophobicContact CE2-CD1 4.19Å; Y143-L165 HydrophobicContact CE2-CD2 3.59Å; Y143-L165 HydrophobicContact CE2-CG 4.16Å | ||
| 144 | W | 94.6 | Very high | 92.9 | Very high | 234 Ų | 234 | 71.4 Ų | 71.4 | 89% | 0.886 | 39% | 0.389 | S | S | * | . | trans | -135.6 | 134.4 | 169.8 | -62.8 | -96.4 | 0 | 0 | 0 | 107.6 | ||||
| 145 | I | 94.5 | Very high | 92.9 | Very high | 74 Ų | 74 | 71.4 Ų | 71.4 | 38% | 0.379 | 39% | 0.389 | S | S | . | . | trans | -142.2 | 142.2 | -174.1 | -169 | 170.7 | 0 | 0 | 0 | 111.4 | Y143 Y147 L165 W167 | Y143-I145 HydrophobicContact CD2-CB 4.4Å; Y143-I145 HydrophobicContact CD2-CG2 4.1Å; Y143-I145 HydrophobicContact CE2-CG2 3.94Å; I145-Y147 HydrophobicContact CD1-CD1 4.15Å; I145-Y147 HydrophobicContact CD1-CG 4.32Å; I145-Y147 HydrophobicContact CG1-CD1 4.09Å; I145-Y147 HydrophobicContact CG2-CD1 4.19Å; I145-Y147 HydrophobicContact CG2-CE1 4.41Å; I145-L165 HydrophobicContact CD1-CD2 3.99Å; I145-L165 HydrophobicContact CG2-CD2 4.43Å; I145-W167 HydrophobicContact CD1-CH2 4.37Å; I145-W167 HydrophobicContact CD1-CZ3 4.5Å | ||
| 146 | S | 90.6 | Very high | 92.9 | Very high | 124 Ų | 124 | 68.4 Ų | 68.4 | 87% | 0.867 | 38% | 0.375 | S | S | * | . | trans | -121.9 | 129.2 | 161.1 | -175.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 147 | Y | 90.3 | Very high | 92.8 | Very high | 60 Ų | 60 | 67.5 Ų | 67.5 | 24% | 0.235 | 37% | 0.37 | C | S | . | . | trans | -153.8 | 169.1 | -175.5 | 73 | -69.6 | 0 | 0 | 0 | 110.9 | I145 H149 Q156 W167 | I145-Y147 HydrophobicContact CD1-CD1 4.15Å; I145-Y147 HydrophobicContact CD1-CG 4.32Å; I145-Y147 HydrophobicContact CG1-CD1 4.09Å; I145-Y147 HydrophobicContact CG2-CD1 4.19Å; I145-Y147 HydrophobicContact CG2-CE1 4.41Å; Y147-H149 HydrophobicContact CD2-CB 4.18Å; Y147-H149 AromaticContact CD2-ND1 3.75Å; Y147-H149 HydrophobicContact CE2-CB 3.92Å; Y147-H149 AromaticContact CE2-CE1 3.8Å; Y147-H149 AromaticContact CE2-CG 3.7Å; Y147-H149 AromaticContact CE2-ND1 3.21Å; Y147-H149 WeakPolarHBondContact CE2-ND1 3.39Å; Y147-H149 AromaticContact CZ-CE1 3.87Å; Y147-H149 AromaticContact CZ-ND1 3.73Å; Y147-Q156 VanDerWaalsContact CE1-NE2 3.34Å; Y147-Q156 PolarHBondContact OH-NE2 2.94Å; Y147-W167 HydrophobicContact CD2-CB 4.26Å; Y147-W167 AromaticContact CD2-CD1 3.83Å; Y147-W167 HydrophobicContact CD2-CD2 4.08Å; Y147-W167 AromaticContact CD2-CG 3.8Å; Y147-W167 HydrophobicContact CD2-CG 3.8Å; Y147-W167 HydrophobicContact CE2-CB 3.84Å; Y147-W167 HydrophobicContact CE2-CD2 4.35Å; Y147-W167 AromaticContact CE2-CG 3.88Å; Y147-W167 HydrophobicContact CE2-CG 3.88Å | ||
| 148 | S | 88.4 | Confident | 92.6 | Very high | 102 Ų | 102 | 69.9 Ų | 69.9 | 71% | 0.713 | 37% | 0.373 | S | S | * | . | trans | -128.6 | 144.4 | 170.4 | -61.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 149 | H | 87.7 | Confident | 92.4 | Very high | 58 Ų | 58 | 69 Ų | 69 | 27% | 0.269 | 37% | 0.368 | S | S | . | . | trans | -145.9 | 161.9 | -175.4 | 56.8 | -75.6 | 0 | 0 | 0 | 110.3 | Y147 S154 W167 R168 | Y147-H149 HydrophobicContact CD2-CB 4.18Å; Y147-H149 AromaticContact CD2-ND1 3.75Å; Y147-H149 HydrophobicContact CE2-CB 3.92Å; Y147-H149 AromaticContact CE2-CE1 3.8Å; Y147-H149 AromaticContact CE2-CG 3.7Å; Y147-H149 AromaticContact CE2-ND1 3.21Å; Y147-H149 WeakPolarHBondContact CE2-ND1 3.39Å; Y147-H149 AromaticContact CZ-CE1 3.87Å; Y147-H149 AromaticContact CZ-ND1 3.73Å; H149-S154 WeakPolarHBondContact CD2-CB 3.46Å; H149-S154 PolarHBondContact CD2-OG 2.76Å; H149-S154 PolarHBondContact NE2-OG 2.87Å; H149-W167 HydrophobicContact CB-CB 3.99Å; H149-W167 HydrophobicContact CB-CG 4.38Å; H149-R168 CarbonylContact C-O 3.56Å; H149-R168 VanDerWaalsContact CA-O 3.29Å; H149-R168 WeakPolarHBondContact CA-O 3.25Å; H149-R168 WeakPolarHBondContact CB-O 3.43Å | ||
| 150 | L | 85.9 | Confident | 92 | Very high | 48 Ų | 48 | 72.6 Ų | 72.6 | 25% | 0.251 | 38% | 0.383 | S | S | . | . | trans | -65.1 | 143.1 | 170.3 | -70.6 | 172.9 | 0 | 0 | 0 | 110.2 | Q153 R168 P170 | L150-Q153 HydrophobicContact CB-CB 4.04Å; L150-Q153 HydrophobicContact CB-CG 4Å; L150-Q153 PolarHBondContact O-N 2.91Å; L150-R168 HydrophobicContact CD1-CB 4.48Å; L150-R168 HydrophobicContact CD1-CG 4.06Å; L150-R168 PolarHBondContact N-O 2.94Å; L150-P170 HydrophobicContact CD2-CB 4.31Å; L150-P170 HydrophobicContact CD2-CG 3.79Å; L150-P170 HydrophobicContact CG-CG 4.29Å | ||
| 151 | P | 86.2 | Confident | 91.8 | Very high | 98 Ų | 98 | 73.3 Ų | 73.3 | 64% | 0.636 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 141.2 | 172.9 | -24.6 | 33.8 | 0 | 0 | 0 | 111.3 | Q153 | P151-Q153 WeakPolarHBondContact O-CG 3.4Å; P151-Q153 PolarHBondContact O-N 2.86Å |
| 152 | E | 88.6 | Confident | 91.9 | Very high | 132 Ų | 132 | 74.2 Ų | 74.2 | 62% | 0.617 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 17.4 | 178.6 | -53.4 | -178.9 | 176.9 | 0 | 0 | 115.1 | N92 M93 | N92-E152 PolarHBondContact ND2-N 2.91Å; N92-E152 CarbonylContact O-C 3.59Å; N92-E152 WeakPolarHBondContact O-CA 3.31Å; N92-E152 PolarHBondContact OD1-N 3.48Å; M93-E152 WeakPolarHBondContact CB-O 3.46Å |
| 153 | Q | 93.2 | Very high | 92.1 | Very high | 36 Ų | 36 | 69.8 Ų | 69.8 | 17% | 0.168 | 34% | 0.343 | C | S | . | . | trans | -130.6 | 42.8 | -176.4 | -55.6 | -71.3 | -49.3 | 0 | 0 | 113 | N92 W134 L150 P151 W167 R168 | N92-Q153 PolarHBondContact O-N 3.29Å; W134-Q153 HydrophobicContact CH2-CB 4.27Å; L150-Q153 HydrophobicContact CB-CB 4.04Å; L150-Q153 HydrophobicContact CB-CG 4Å; L150-Q153 PolarHBondContact O-N 2.91Å; P151-Q153 WeakPolarHBondContact O-CG 3.4Å; P151-Q153 PolarHBondContact O-N 2.86Å; Q153-W167 CarbonylContact O-C 3.48Å; Q153-W167 VanDerWaalsContact O-CA 3.32Å; Q153-W167 WeakPolarHBondContact O-CA 3.35Å; Q153-R168 HydrophobicContact CB-CB 3.65Å; Q153-R168 HydrophobicContact CG-CB 4.38Å; Q153-R168 PolarHBondContact O-N 3.09Å | ||
| 154 | S | 95.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.007 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 143.9 | 171.9 | 69.5 | 0 | 0 | 0 | 0 | 113.8 | N92 H149 V166 | N92-S154 CarbonylContact C-O 3.59Å; N92-S154 WeakPolarHBondContact CB-OG 3.42Å; N92-S154 PolarHBondContact N-O 3.05Å; N92-S154 PolarHBondContact O-N 3.36Å; H149-S154 WeakPolarHBondContact CD2-CB 3.46Å; H149-S154 PolarHBondContact CD2-OG 2.76Å; H149-S154 PolarHBondContact NE2-OG 2.87Å; S154-V166 CarbonylContact C-O 3.48Å; S154-V166 WeakPolarHBondContact CA-O 3.31Å |
| 155 | L | 96.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 136 | 175 | -175.7 | 61.5 | 0 | 0 | 0 | 111 | Q91 M93 Q98 I101 F102 F157 V166 | Q91-L155 HydrophobicContact CB-CD1 3.91Å; M93-L155 HydrophobicContact SD-CB 3.59Å; M93-L155 VanDerWaalsContact SD-CB 3.59Å; M93-L155 HydrophobicContact SD-CD2 4Å; M93-L155 HydrophobicContact SD-CG 4.29Å; Q98-L155 HydrophobicContact CB-CD2 4.21Å; Q98-L155 HydrophobicContact CG-CD1 3.88Å; Q98-L155 HydrophobicContact CG-CD2 4.06Å; I101-L155 HydrophobicContact CB-CD2 4.13Å; I101-L155 HydrophobicContact CD1-CD2 3.86Å; I101-L155 HydrophobicContact CG2-CD2 4.04Å; F102-L155 HydrophobicContact CD1-CD2 4.43Å; F102-L155 HydrophobicContact CE1-CD2 3.71Å; F102-L155 HydrophobicContact CE1-CG 4.38Å; F102-L155 HydrophobicContact CZ-CD1 4.39Å; F102-L155 HydrophobicContact CZ-CD2 4.08Å; L155-F157 HydrophobicContact CD2-CD1 4.06Å; L155-F157 HydrophobicContact CD2-CE1 4.24Å; L155-F157 HydrophobicContact CG-CD1 3.93Å; L155-F157 HydrophobicContact CG-CE1 4.48Å; L155-V166 HydrophobicContact CB-CG2 3.78Å; L155-V166 PolarHBondContact N-O 3.42Å; L155-V166 WeakPolarHBondContact O-CG2 3.34Å; L155-V166 PolarHBondContact O-N 2.99Å; L155-V166 VanDerWaalsContact O-O 3.11Å |
| 156 | Q | 96.1 | Very high | 92.5 | Very high | 12 Ų | 12 | 53.1 Ų | 53.1 | 6% | 0.056 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 125.9 | 172.6 | -52.5 | -175 | 12.2 | 0 | 0 | 108.6 | I89 S90 Y143 Y147 Y164 L165 | I89-Q156 HydrophobicContact CB-CB 4.05Å; I89-Q156 PolarHBondContact N-O 3.1Å; S90-Q156 PolarHBondContact N-O 2.91Å; S90-Q156 VanDerWaalsContact N-O 3.11Å; S90-Q156 PolarHBondContact O-N 3.43Å; S90-Q156 VanDerWaalsContact O-O 3.12Å; Y143-Q156 PolarHBondContact OH-OE1 3.16Å; Y147-Q156 VanDerWaalsContact CE1-NE2 3.34Å; Y147-Q156 PolarHBondContact OH-NE2 2.94Å; Q156-Y164 VanDerWaalsContact CA-O 3.31Å; Q156-Y164 WeakPolarHBondContact CA-O 3.43Å; Q156-L165 HydrophobicContact CB-CG 4.34Å; Q156-L165 HydrophobicContact CG-CB 4.3Å; Q156-L165 HydrophobicContact CG-CG 3.93Å |
| 157 | F | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 154.4 | -178.7 | 64.7 | -81.5 | 0 | 0 | 0 | 111.3 | L86 Q87 I101 F102 V105 L155 L159 C163 Y164 | L86-F157 HydrophobicContact CD1-CB 4.19Å; L86-F157 HydrophobicContact CD1-CD2 3.6Å; L86-F157 HydrophobicContact CD1-CE2 4.38Å; L86-F157 HydrophobicContact CD1-CG 4.26Å; Q87-F157 CarbonylContact O-C 3.59Å; Q87-F157 VanDerWaalsContact O-CA 3.25Å; Q87-F157 WeakPolarHBondContact O-CA 3.48Å; Q87-F157 WeakPolarHBondContact O-CB 3.2Å; I101-F157 HydrophobicContact CG2-CE1 3.89Å; I101-F157 HydrophobicContact CG2-CZ 4.18Å; F102-F157 HydrophobicContact CD1-CD1 4.17Å; F102-F157 AromaticContact CD1-CD2 3.89Å; F102-F157 HydrophobicContact CD1-CD2 3.89Å; F102-F157 HydrophobicContact CD1-CE1 4.14Å; F102-F157 AromaticContact CD1-CE2 3.88Å; F102-F157 HydrophobicContact CD1-CE2 3.88Å; F102-F157 HydrophobicContact CD1-CG 4.01Å; F102-F157 AromaticContact CD1-CZ 3.99Å; F102-F157 HydrophobicContact CD1-CZ 3.99Å; F102-F157 HydrophobicContact CE1-CB 3.8Å; F102-F157 AromaticContact CE1-CD1 3.65Å; F102-F157 HydrophobicContact CE1-CD1 3.65Å; F102-F157 AromaticContact CE1-CD2 3.81Å; F102-F157 HydrophobicContact CE1-CD2 3.81Å; F102-F157 HydrophobicContact CE1-CE1 4.06Å; F102-F157 HydrophobicContact CE1-CE2 4.22Å; F102-F157 AromaticContact CE1-CG 3.48Å; F102-F157 HydrophobicContact CE1-CG 3.48Å; F102-F157 VanDerWaalsContact CE1-CG 3.48Å; F102-F157 HydrophobicContact CE1-CZ 4.31Å; F102-F157 HydrophobicContact CZ-CB 4.46Å; V105-F157 HydrophobicContact CB-CZ 4.19Å; V105-F157 HydrophobicContact CG1-CE2 4.32Å; V105-F157 HydrophobicContact CG1-CZ 4.21Å; V105-F157 HydrophobicContact CG2-CZ 4Å; L155-F157 HydrophobicContact CD2-CD1 4.06Å; L155-F157 HydrophobicContact CD2-CE1 4.24Å; L155-F157 HydrophobicContact CG-CD1 3.93Å; L155-F157 HydrophobicContact CG-CE1 4.48Å; F157-L159 HydrophobicContact CD2-CB 4.07Å; F157-L159 HydrophobicContact CE2-CB 3.98Å; F157-L159 HydrophobicContact CE2-CD2 4.49Å; F157-C163 CarbonylContact O-C 2.82Å; F157-C163 WeakPolarHBondContact O-CA 3.48Å; F157-Y164 HydrophobicContact CD2-CD2 4.08Å; F157-Y164 HydrophobicContact CE1-CG 4.35Å; F157-Y164 AromaticContact CE2-CD2 3.65Å; F157-Y164 HydrophobicContact CE2-CD2 3.65Å; F157-Y164 HydrophobicContact CE2-CE2 4.44Å; F157-Y164 AromaticContact CE2-CG 3.87Å; F157-Y164 HydrophobicContact CE2-CG 3.87Å; F157-Y164 HydrophobicContact CZ-CD2 4.09Å; F157-Y164 AromaticContact CZ-CG 3.8Å; F157-Y164 HydrophobicContact CZ-CG 3.8Å; F157-Y164 PolarHBondContact N-O 3.39Å; F157-Y164 PolarHBondContact O-N 3.01Å |
| 158 | R | 93.8 | Very high | 93 | Very high | 104 Ų | 104 | 47.3 Ų | 47.3 | 39% | 0.392 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 128.3 | 168.5 | -178.3 | 172.6 | 65 | 155.7 | 0.8 | 108.7 | L86 Q87 I89 K160 K162 | L86-R158 CarbonylContact C-O 3.59Å; L86-R158 WeakPolarHBondContact CA-O 3.32Å; Q87-R158 HydrophobicContact CB-CB 4.36Å; Q87-R158 PolarHBondContact N-O 3.5Å; Q87-R158 PolarHBondContact O-N 3.05Å; I89-R158 HydrophobicContact CD1-CB 4.32Å; R158-K160 WeakPolarHBondContact CG-O 3.37Å; R158-K162 WeakPolarHBondContact CA-O 3.39Å |
| 159 | L | 92.7 | Very high | 93.3 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 117.9 | 171.7 | -179.4 | 64.2 | 0 | 0 | 0 | 108.6 | D85 L86 V105 R106 L109 F157 E161 K162 Y164 | D85-L159 CarbonylContact O-C 3.56Å; D85-L159 VanDerWaalsContact O-CA 3.31Å; D85-L159 WeakPolarHBondContact O-CA 3.28Å; L86-L159 HydrophobicContact CB-CD1 4.3Å; L86-L159 HydrophobicContact CD1-CB 4.42Å; L86-L159 HydrophobicContact CD1-CD1 4.31Å; V105-L159 HydrophobicContact CG1-CD2 4.09Å; R106-L159 HydrophobicContact CB-CD2 4.32Å; L109-L159 HydrophobicContact CD1-CD2 3.59Å; L109-L159 HydrophobicContact CD1-CG 3.99Å; F157-L159 HydrophobicContact CD2-CB 4.07Å; F157-L159 HydrophobicContact CE2-CB 3.98Å; F157-L159 HydrophobicContact CE2-CD2 4.49Å; L159-E161 PolarHBondContact O-N 3.28Å; L159-K162 PolarHBondContact N-O 3.15Å; L159-K162 PolarHBondContact O-N 2.85Å; L159-Y164 HydrophobicContact CB-CD2 4.19Å; L159-Y164 HydrophobicContact CB-CE2 3.81Å |
| 160 | K | 88.1 | Confident | 93.4 | Very high | 111 Ų | 111 | 44.5 Ų | 44.5 | 48% | 0.483 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | -124.1 | -165.9 | -56.8 | 178.2 | 175.2 | 173.6 | 0 | 109.9 | D85 L109 R158 | D85-K160 HydrophobicContact CB-CG 4.42Å; D85-K160 PolarHBondContact O-N 2.85Å; L109-K160 HydrophobicContact CD1-CD 4.13Å; R158-K160 WeakPolarHBondContact CG-O 3.37Å |
| 161 | E | 89.6 | Confident | 93.2 | Very high | 145 Ų | 145 | 48.7 Ų | 48.7 | 68% | 0.678 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -2.9 | -176.7 | -56.3 | -52.3 | 138.1 | 0 | 0 | 114.1 | L159 | L159-E161 PolarHBondContact O-N 3.28Š|
| 162 | K | 94.2 | Very high | 92.2 | Very high | 61 Ų | 61 | 56 Ų | 56 | 27% | 0.265 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 140.6 | -173.3 | -67.4 | -179.5 | -179.3 | 177.1 | 0 | 112.4 | I138 I139 R158 L159 Y164 | I138-K162 HydrophobicContact CG2-CB 4.26Å; I138-K162 HydrophobicContact CG2-CD 3.94Å; I139-K162 CarbonylContact O-C 3.09Å; I139-K162 VanDerWaalsContact O-CA 3.31Å; I139-K162 WeakPolarHBondContact O-CA 3.45Å; R158-K162 WeakPolarHBondContact CA-O 3.39Å; L159-K162 PolarHBondContact N-O 3.15Å; L159-K162 PolarHBondContact O-N 2.85Å; K162-Y164 HydrophobicContact CB-CE2 3.79Å; K162-Y164 WeakPolarHBondContact O-CD2 3.46Å; K162-Y164 WeakPolarHBondContact O-CE2 3.39Å |
| 163 | C | 95.9 | Very high | 92.4 | Very high | 11 Ų | 11 | 52.3 Ų | 52.3 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 137.4 | 169.3 | -59.6 | 0 | 0 | 0 | 0 | 110.1 | I89 I138 I139 Y143 F157 L165 | I89-C163 HydrophobicContact CD1-CB 4.25Å; I138-C163 CarbonylContact C-O 3.39Å; I138-C163 WeakPolarHBondContact CA-O 3.21Å; I139-C163 HydrophobicContact CB-CB 4.31Å; I139-C163 PolarHBondContact N-O 3.38Å; I139-C163 PolarHBondContact O-N 3.32Å; Y143-C163 HydrophobicContact CD1-CB 4.3Å; Y143-C163 HydrophobicContact CE1-CB 3.87Å; F157-C163 CarbonylContact O-C 2.82Å; F157-C163 WeakPolarHBondContact O-CA 3.48Å; C163-L165 HydrophobicContact CB-CD1 4.1Å |
| 164 | Y | 97.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 118.5 | 178.2 | -60.3 | -97.7 | 0 | 0 | 0 | 107.5 | V105 M118 I122 V137 I138 Q156 F157 L159 K162 | V105-Y164 HydrophobicContact CG1-CD1 3.85Å; V105-Y164 HydrophobicContact CG1-CE1 3.56Å; V105-Y164 HydrophobicContact CG1-CE2 4.35Å; V105-Y164 HydrophobicContact CG1-CG 4.35Å; M118-Y164 HydrophobicContact SD-CE1 4.23Å; I122-Y164 HydrophobicContact CD1-CD1 4.23Å; I122-Y164 HydrophobicContact CD1-CE1 4.35Å; V137-Y164 WeakPolarHBondContact O-CA 3.41Å; I138-Y164 HydrophobicContact CD1-CD1 4.2Å; I138-Y164 HydrophobicContact CD1-CE1 3.91Å; I138-Y164 HydrophobicContact CG1-CD1 3.87Å; I138-Y164 HydrophobicContact CG1-CE1 4Å; I138-Y164 HydrophobicContact CG2-CD1 4.35Å; I138-Y164 HydrophobicContact CG2-CE1 3.99Å; Q156-Y164 VanDerWaalsContact CA-O 3.31Å; Q156-Y164 WeakPolarHBondContact CA-O 3.43Å; F157-Y164 HydrophobicContact CD2-CD2 4.08Å; F157-Y164 HydrophobicContact CE1-CG 4.35Å; F157-Y164 AromaticContact CE2-CD2 3.65Å; F157-Y164 HydrophobicContact CE2-CD2 3.65Å; F157-Y164 HydrophobicContact CE2-CE2 4.44Å; F157-Y164 AromaticContact CE2-CG 3.87Å; F157-Y164 HydrophobicContact CE2-CG 3.87Å; F157-Y164 HydrophobicContact CZ-CD2 4.09Å; F157-Y164 AromaticContact CZ-CG 3.8Å; F157-Y164 HydrophobicContact CZ-CG 3.8Å; F157-Y164 PolarHBondContact N-O 3.39Å; F157-Y164 PolarHBondContact O-N 3.01Å; L159-Y164 HydrophobicContact CB-CD2 4.19Å; L159-Y164 HydrophobicContact CB-CE2 3.81Å; K162-Y164 HydrophobicContact CB-CE2 3.79Å; K162-Y164 WeakPolarHBondContact O-CD2 3.46Å; K162-Y164 WeakPolarHBondContact O-CE2 3.39Å |
| 165 | L | 97.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 121.6 | 175.4 | -67.6 | 63.3 | 0 | 0 | 0 | 107.1 | V136 V137 I139 Y143 I145 Q156 C163 W167 | V136-L165 WeakPolarHBondContact CA-O 3.47Å; V137-L165 HydrophobicContact CB-CB 4.28Å; V137-L165 PolarHBondContact N-O 3.26Å; V137-L165 PolarHBondContact O-N 3.28Å; I139-L165 HydrophobicContact CD1-CD1 3.98Å; I139-L165 HydrophobicContact CD1-CD2 4.42Å; I139-L165 HydrophobicContact CG1-CD1 4.48Å; Y143-L165 HydrophobicContact CD1-CD1 4.37Å; Y143-L165 HydrophobicContact CD2-CD2 3.91Å; Y143-L165 HydrophobicContact CE1-CD1 3.87Å; Y143-L165 HydrophobicContact CE2-CD1 4.19Å; Y143-L165 HydrophobicContact CE2-CD2 3.59Å; Y143-L165 HydrophobicContact CE2-CG 4.16Å; I145-L165 HydrophobicContact CD1-CD2 3.99Å; I145-L165 HydrophobicContact CG2-CD2 4.43Å; Q156-L165 HydrophobicContact CB-CG 4.34Å; Q156-L165 HydrophobicContact CG-CB 4.3Å; Q156-L165 HydrophobicContact CG-CG 3.93Å; C163-L165 HydrophobicContact CB-CD1 4.1Å; L165-W167 HydrophobicContact CB-CE3 4.33Å; L165-W167 HydrophobicContact CB-CZ3 4.03Å |
| 166 | V | 97.7 | Very high | 92 | Very high | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 131.1 | 176.3 | -57.4 | 0 | 0 | 0 | 0 | 109.5 | I101 I122 L126 W134 H135 V136 S154 L155 | I101-V166 HydrophobicContact CD1-CG2 4.33Å; I122-V166 HydrophobicContact CG2-CG1 4.29Å; L126-V166 HydrophobicContact CD1-CB 3.91Å; L126-V166 HydrophobicContact CD1-CG1 3.85Å; W134-V166 HydrophobicContact CE3-CB 4.24Å; W134-V166 HydrophobicContact CZ3-CB 4.27Å; W134-V166 HydrophobicContact CZ3-CG2 4.19Å; H135-V166 VanDerWaalsContact O-CA 3.29Å; H135-V166 WeakPolarHBondContact O-CA 3.29Å; V136-V166 HydrophobicContact CB-CG1 4.46Å; V136-V166 HydrophobicContact CG1-CG1 4.15Å; V136-V166 HydrophobicContact CG2-CG1 4.08Å; S154-V166 CarbonylContact C-O 3.48Å; S154-V166 WeakPolarHBondContact CA-O 3.31Å; L155-V166 HydrophobicContact CB-CG2 3.78Å; L155-V166 PolarHBondContact N-O 3.42Å; L155-V166 WeakPolarHBondContact O-CG2 3.34Å; L155-V166 PolarHBondContact O-N 2.99Å; L155-V166 VanDerWaalsContact O-O 3.11Å |
| 167 | W | 97.3 | Very high | 91.7 | Very high | 32 Ų | 32 | 62.3 Ų | 62.3 | 12% | 0.121 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 152.1 | 175 | 70.7 | 97 | 0 | 0 | 0 | 111.2 | W134 H135 V137 I145 Y147 H149 Q153 L165 | W134-W167 WeakPolarHBondContact CA-O 3.35Å; H135-W167 HydrophobicContact CB-CD2 3.8Å; H135-W167 VanDerWaalsContact CB-CE2 3.46Å; H135-W167 HydrophobicContact CB-CE3 4.1Å; H135-W167 HydrophobicContact CB-CG 4.43Å; H135-W167 HydrophobicContact CB-CH2 3.83Å; H135-W167 HydrophobicContact CB-CZ2 3.49Å; H135-W167 VanDerWaalsContact CB-CZ2 3.49Å; H135-W167 HydrophobicContact CB-CZ3 4.12Å; H135-W167 AromaticContact CD2-CD1 3.9Å; H135-W167 AromaticContact CD2-CE2 3.9Å; H135-W167 AromaticContact CD2-NE1 3.43Å; H135-W167 PolarHBondContact CD2-NE1 2.93Å; H135-W167 AromaticContact CG-CE2 3.79Å; H135-W167 AromaticContact CG-CZ2 3.88Å; H135-W167 AromaticContact CG-NE1 3.81Å; H135-W167 PolarHBondContact N-O 2.96Å; H135-W167 PolarHBondContact O-N 3.46Å; H135-W167 VanDerWaalsContact O-N 3.17Å; V137-W167 HydrophobicContact CG2-CH2 3.68Å; V137-W167 HydrophobicContact CG2-CZ3 3.75Å; I145-W167 HydrophobicContact CD1-CH2 4.37Å; I145-W167 HydrophobicContact CD1-CZ3 4.5Å; Y147-W167 HydrophobicContact CD2-CB 4.26Å; Y147-W167 AromaticContact CD2-CD1 3.83Å; Y147-W167 HydrophobicContact CD2-CD2 4.08Å; Y147-W167 AromaticContact CD2-CG 3.8Å; Y147-W167 HydrophobicContact CD2-CG 3.8Å; Y147-W167 HydrophobicContact CE2-CB 3.84Å; Y147-W167 HydrophobicContact CE2-CD2 4.35Å; Y147-W167 AromaticContact CE2-CG 3.88Å; Y147-W167 HydrophobicContact CE2-CG 3.88Å; H149-W167 HydrophobicContact CB-CB 3.99Å; H149-W167 HydrophobicContact CB-CG 4.38Å; Q153-W167 CarbonylContact O-C 3.48Å; Q153-W167 VanDerWaalsContact O-CA 3.32Å; Q153-W167 WeakPolarHBondContact O-CA 3.35Å; L165-W167 HydrophobicContact CB-CE3 4.33Å; L165-W167 HydrophobicContact CB-CZ3 4.03Å |
| 168 | R | 96 | Very high | 91.4 | Very high | 30 Ų | 30 | 66.4 Ų | 66.4 | 11% | 0.113 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 141.3 | 176.6 | -162.3 | 180 | 164 | -164.2 | -8.9 | 111.2 | F130 D131 P132 S133 W134 H149 L150 Q153 | F130-R168 PolarHBondContact O-NH1 3.28Å; D131-R168 IonicContact OD2-CZ 2.78Å; D131-R168 IonicContact OD2-NH1 2.67Å; D131-R168 PolarHBondContact OD2-NH1 3.37Å; D131-R168 IonicContact OD2-NH2 3.86Å; D131-R168 PolarHBondContact OD2-NH2 2.92Å; P132-R168 PolarHBondContact O-NE 3.45Å; S133-R168 WeakPolarHBondContact O-CA 3.28Å; W134-R168 HydrophobicContact CD2-CB 4Å; W134-R168 HydrophobicContact CD2-CG 4.39Å; W134-R168 HydrophobicContact CE3-CB 4.25Å; W134-R168 HydrophobicContact CG-CB 4.47Å; W134-R168 HydrophobicContact CG-CG 4.44Å; W134-R168 HydrophobicContact CH2-CB 4.46Å; W134-R168 HydrophobicContact CZ2-CB 4.21Å; W134-R168 HydrophobicContact CZ3-CB 4.48Å; H149-R168 CarbonylContact C-O 3.56Å; H149-R168 VanDerWaalsContact CA-O 3.29Å; H149-R168 WeakPolarHBondContact CA-O 3.25Å; H149-R168 WeakPolarHBondContact CB-O 3.43Å; L150-R168 HydrophobicContact CD1-CB 4.48Å; L150-R168 HydrophobicContact CD1-CG 4.06Å; L150-R168 PolarHBondContact N-O 2.94Å; Q153-R168 HydrophobicContact CB-CB 3.65Å; Q153-R168 HydrophobicContact CG-CB 4.38Å; Q153-R168 PolarHBondContact O-N 3.09Å |
| 169 | T | 94 | Very high | 91.3 | Very high | 31 Ų | 31 | 63.7 Ų | 63.7 | 19% | 0.19 | 30% | 0.3 | C | S | . | . | trans | -110.4 | 154.4 | 173.9 | 49.7 | 0 | 0 | 0 | 0 | 111.5 | S133 H135 | S133-T169 WeakPolarHBondContact CB-O 3.4Å; S133-T169 PolarHBondContact O-N 3.15Å; S133-T169 PolarHBondContact O-OG1 2.74Å; H135-T169 VanDerWaalsContact NE2-CG2 3.32Å; H135-T169 WeakPolarHBondContact NE2-CG2 3.38Å; H135-T169 PolarHBondContact NE2-OG1 3.28Å | ||
| 170 | P | 89 | Confident | 91.2 | Very high | 71 Ų | 71 | 68.2 Ų | 68.2 | 46% | 0.461 | 32% | 0.321 | S | S | . | . | trans | -54.1 | 146.4 | 172.1 | -20.6 | 30.3 | 0 | 0 | 0 | 111.5 | L150 H172 | L150-P170 HydrophobicContact CD2-CB 4.31Å; L150-P170 HydrophobicContact CD2-CG 3.79Å; L150-P170 HydrophobicContact CG-CG 4.29Å; P170-H172 PolarHBondContact O-N 2.62Å | ||
| 171 | K | 82 | Confident | 91.4 | Very high | 136 Ų | 136 | 64.7 Ų | 64.7 | 59% | 0.591 | 31% | 0.308 | S | S | * | . | trans | -70.1 | 125.6 | 166.4 | -64.8 | -175.7 | -178.4 | 177.9 | 0 | 107.6 | ||||
| 172 | H | 66.3 | Low | 91.6 | Very high | 252 Ų | 252 | 57.4 Ų | 57.4 | 100% | 1.167 | 27% | 0.274 | S | S | * | . | trans | -71.4 | 0 | 168.1 | -68.6 | -63.7 | 0 | 0 | 0 | 110.8 | P170 | P170-H172 PolarHBondContact O-N 2.62Š|
Retrieved 172 of 172 residues in 416.5 ms
(Link to these results)