| 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 | 39.4 | Very low | 81.7 | Confident | 235 Ų | 235 | 56.3 Ų | 56.3 | 100% | 1.158 | 29% | 0.29 | S | S | * | . | 0 | 121.6 | 0 | -79.4 | -172 | -88 | 0 | 0 | 107 | P3 | M1-P3 WeakPolarHBondContact O-CD 3.43Š| |||
| 2 | E | 54.7 | Low | 82.8 | Confident | 113 Ų | 113 | 52.6 Ų | 52.6 | 53% | 0.528 | 27% | 0.271 | S | S | . | . | trans | -61.3 | 126.2 | 170.7 | -76.3 | 170.2 | 147.7 | 0 | 0 | 108.4 | F4 V7 | E2-F4 PolarHBondContact O-N 3.2Å; E2-V7 HydrophobicContact CB-CG2 3.85Å | ||
| 3 | P | 76.3 | Confident | 83.3 | Confident | 62 Ų | 62 | 60.8 Ų | 60.8 | 40% | 0.403 | 30% | 0.297 | S | S | . | . | trans | -49.9 | 129.6 | 174.2 | -29 | 33.3 | 0 | 0 | 0 | 110.4 | M1 V5 Q6 V7 | M1-P3 WeakPolarHBondContact O-CD 3.43Å; P3-V5 PolarHBondContact O-N 2.85Å; P3-Q6 HydrophobicContact CB-CG 4.33Å; P3-Q6 WeakPolarHBondContact O-CB 3.26Å; P3-Q6 PolarHBondContact O-N 2.8Å; P3-V7 PolarHBondContact O-N 3.31Å | ||
| 4 | F | 87.4 | Confident | 83.7 | Confident | 88 Ų | 88 | 63.6 Ų | 63.6 | 39% | 0.386 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -43.3 | -39.6 | -177.8 | -76.1 | -86.5 | 0 | 0 | 0 | 112.9 | E2 Q6 V7 F8 W41 F45 F58 L62 | E2-F4 PolarHBondContact O-N 3.2Å; F4-Q6 VanDerWaalsContact C-N 3.32Å; F4-Q6 PolarHBondContact O-N 2.71Å; F4-V7 PolarHBondContact O-N 2.88Å; F4-F8 PolarHBondContact O-N 3.04Å; F4-W41 HydrophobicContact CB-CZ2 4.46Å; F4-W41 AromaticContact CD1-CE2 3.73Å; F4-W41 AromaticContact CD1-CZ2 3.66Å; F4-W41 HydrophobicContact CD1-CZ2 3.66Å; F4-W41 AromaticContact CD1-NE1 3.62Å; F4-W41 HydrophobicContact CE1-CZ2 4.46Å; F4-W41 AromaticContact CE1-NE1 3.54Å; F4-F45 AromaticContact CD1-CE2 3.83Å; F4-F45 HydrophobicContact CD1-CE2 3.83Å; F4-F45 AromaticContact CD1-CZ 3.8Å; F4-F45 HydrophobicContact CD1-CZ 3.8Å; F4-F45 HydrophobicContact CE1-CE2 4.08Å; F4-F45 HydrophobicContact CE1-CZ 4.18Å; F4-F45 HydrophobicContact CG-CZ 4.34Å; F4-F58 VanDerWaalsContact C-CZ 3.5Å; F4-F58 HydrophobicContact CB-CE2 4.21Å; F4-F58 HydrophobicContact CB-CZ 3.72Å; F4-F58 WeakPolarHBondContact O-CZ 3.13Å; F4-L62 HydrophobicContact CB-CD1 4.04Å |
| 5 | V | 90.3 | Very high | 84 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.03 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -55.4 | -43.3 | 178.2 | 179.1 | 0 | 0 | 0 | 0 | 112.5 | P3 F8 F9 F58 L62 L64 A69 M72 | P3-V5 PolarHBondContact O-N 2.85Å; V5-F8 PolarHBondContact O-N 2.69Å; V5-F9 HydrophobicContact CG1-CD2 3.91Å; V5-F9 HydrophobicContact CG1-CE2 3.63Å; V5-F9 WeakPolarHBondContact O-CD2 3.36Å; V5-F9 PolarHBondContact O-N 3.26Å; V5-F58 HydrophobicContact CG2-CE1 4.19Å; V5-L62 HydrophobicContact CG2-CD1 4.11Å; V5-L64 HydrophobicContact CG2-CD1 3.81Å; V5-A69 HydrophobicContact CG1-CB 4.14Å; V5-A69 WeakPolarHBondContact CG1-O 3.32Å; V5-A69 HydrophobicContact CG2-CB 4.48Å; V5-M72 HydrophobicContact CG1-CB 4.25Å; V5-M72 HydrophobicContact CG2-SD 4.21Å |
| 6 | Q | 86.9 | Confident | 84.5 | Confident | 33 Ų | 33 | 63.6 Ų | 63.6 | 15% | 0.154 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.1 | -42.7 | -179.3 | -63.3 | 169.4 | 10.1 | 0 | 0 | 111.3 | P3 F4 F8 F9 A10 H76 | P3-Q6 HydrophobicContact CB-CG 4.33Å; P3-Q6 WeakPolarHBondContact O-CB 3.26Å; P3-Q6 PolarHBondContact O-N 2.8Å; F4-Q6 VanDerWaalsContact C-N 3.32Å; F4-Q6 PolarHBondContact O-N 2.71Å; Q6-F8 VanDerWaalsContact C-N 3.3Å; Q6-F8 PolarHBondContact O-N 3.19Å; Q6-F9 PolarHBondContact O-N 2.79Å; Q6-A10 WeakPolarHBondContact O-CB 3.21Å; Q6-A10 PolarHBondContact O-N 2.8Å; Q6-H76 VanDerWaalsContact CD-NE2 3.32Å; Q6-H76 HydrophobicContact CG-CB 4.22Å; Q6-H76 PolarHBondContact NE2-CD2 2.91Å; Q6-H76 PolarHBondContact NE2-CE1 3.34Å; Q6-H76 VanDerWaalsContact NE2-CE1 3.32Å; Q6-H76 PolarHBondContact NE2-ND1 2.87Å; Q6-H76 PolarHBondContact NE2-NE2 2.82Å; Q6-H76 PolarHBondContact OE1-CD2 2.84Å; Q6-H76 VanDerWaalsContact OE1-CD2 3.22Å; Q6-H76 PolarHBondContact OE1-NE2 2.71Å |
| 7 | V | 91.3 | Very high | 85 | Confident | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.03 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 176.8 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | E2 P3 F4 F9 A10 I11 Y27 M37 W41 | E2-V7 HydrophobicContact CB-CG2 3.85Å; P3-V7 PolarHBondContact O-N 3.31Å; F4-V7 PolarHBondContact O-N 2.88Å; V7-F9 VanDerWaalsContact C-N 3.35Å; V7-F9 PolarHBondContact O-N 2.89Å; V7-A10 PolarHBondContact O-N 3.19Å; V7-A10 VanDerWaalsContact O-N 3.08Å; V7-I11 HydrophobicContact CG1-CD1 3.7Å; V7-I11 HydrophobicContact CG1-CG1 4.32Å; V7-I11 VanDerWaalsContact O-CG1 3.26Å; V7-I11 WeakPolarHBondContact O-CG1 3.28Å; V7-I11 PolarHBondContact O-N 3.1Å; V7-Y27 HydrophobicContact CG1-CD1 4.23Å; V7-Y27 HydrophobicContact CG1-CE1 3.65Å; V7-M37 HydrophobicContact CB-CE 4.4Å; V7-M37 HydrophobicContact CG1-CE 3.36Å; V7-M37 HydrophobicContact CG2-CE 4.37Å; V7-W41 HydrophobicContact CB-CH2 3.92Å; V7-W41 HydrophobicContact CB-CZ2 3.7Å; V7-W41 HydrophobicContact CG1-CH2 3.86Å; V7-W41 HydrophobicContact CG1-CZ2 3.59Å |
| 8 | F | 94.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55.3 | -51.8 | 177.7 | -175.9 | -80.9 | 0 | 0 | 0 | 110.9 | F4 V5 Q6 A10 I11 D12 I19 W41 I53 F55 F58 | F4-F8 PolarHBondContact O-N 3.04Å; V5-F8 PolarHBondContact O-N 2.69Å; Q6-F8 VanDerWaalsContact C-N 3.3Å; Q6-F8 PolarHBondContact O-N 3.19Å; F8-A10 VanDerWaalsContact C-N 3.27Å; F8-A10 PolarHBondContact O-N 2.96Å; F8-I11 PolarHBondContact O-N 3.35Å; F8-D12 HydrophobicContact CD1-CB 4.44Å; F8-D12 HydrophobicContact CE1-CB 4.14Å; F8-D12 WeakPolarHBondContact O-CB 3.33Å; F8-D12 PolarHBondContact O-N 3.26Å; F8-I19 HydrophobicContact CD2-CD1 3.86Å; F8-I19 HydrophobicContact CD2-CG1 4.31Å; F8-I19 HydrophobicContact CE1-CG2 4.47Å; F8-I19 HydrophobicContact CE2-CD1 4Å; F8-I19 HydrophobicContact CE2-CG1 3.92Å; F8-I19 HydrophobicContact CE2-CG2 4.19Å; F8-I19 HydrophobicContact CZ-CG2 4.14Å; F8-W41 HydrophobicContact CB-CH2 4.12Å; F8-W41 HydrophobicContact CB-CZ3 4.42Å; F8-W41 HydrophobicContact CD2-CZ3 4.27Å; F8-I53 HydrophobicContact CE2-CG2 4.11Å; F8-F55 AromaticContact CD1-CD2 3.81Å; F8-F55 HydrophobicContact CD1-CD2 3.81Å; F8-F55 HydrophobicContact CD1-CE2 4.41Å; F8-F55 HydrophobicContact CE1-CB 3.87Å; F8-F55 AromaticContact CE1-CD2 3.57Å; F8-F55 HydrophobicContact CE1-CD2 3.57Å; F8-F55 HydrophobicContact CE1-CG 4.12Å; F8-F55 HydrophobicContact CZ-CB 3.75Å; F8-F55 HydrophobicContact CZ-CD2 4.07Å; F8-F55 HydrophobicContact CZ-CG 4.41Å; F8-F58 HydrophobicContact CB-CD1 4.45Å; F8-F58 HydrophobicContact CB-CE1 3.99Å; F8-F58 HydrophobicContact CB-CE2 4.13Å; F8-F58 HydrophobicContact CB-CZ 3.8Å; F8-F58 HydrophobicContact CD2-CB 4.12Å; F8-F58 HydrophobicContact CD2-CD1 4.07Å; F8-F58 AromaticContact CD2-CD2 3.67Å; F8-F58 HydrophobicContact CD2-CD2 3.67Å; F8-F58 HydrophobicContact CD2-CE1 4.39Å; F8-F58 HydrophobicContact CD2-CE2 4.02Å; F8-F58 AromaticContact CD2-CG 3.68Å; F8-F58 HydrophobicContact CD2-CG 3.68Å; F8-F58 HydrophobicContact CD2-CZ 4.35Å; F8-F58 HydrophobicContact CE2-CB 4.06Å; F8-F58 HydrophobicContact CE2-CD2 4.35Å; F8-F58 HydrophobicContact CE2-CG 4.13Å; F8-F58 HydrophobicContact CG-CD1 4.26Å; F8-F58 HydrophobicContact CG-CD2 4.44Å; F8-F58 HydrophobicContact CG-CE1 4.29Å; F8-F58 HydrophobicContact CG-CE2 4.47Å; F8-F58 HydrophobicContact CG-CG 4.32Å; F8-F58 HydrophobicContact CG-CZ 4.38Å |
| 9 | F | 92.2 | Very high | 86.2 | Confident | 33 Ų | 33 | 61.2 Ų | 61.2 | 15% | 0.145 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.1 | -21.6 | 179.1 | -70.8 | -62.4 | 0 | 0 | 0 | 114.3 | V5 Q6 V7 F55 V70 K73 | V5-F9 HydrophobicContact CG1-CD2 3.91Å; V5-F9 HydrophobicContact CG1-CE2 3.63Å; V5-F9 WeakPolarHBondContact O-CD2 3.36Å; V5-F9 PolarHBondContact O-N 3.26Å; Q6-F9 PolarHBondContact O-N 2.79Å; V7-F9 VanDerWaalsContact C-N 3.35Å; V7-F9 PolarHBondContact O-N 2.89Å; F9-F55 HydrophobicContact CE1-CE2 4.01Å; F9-F55 HydrophobicContact CE1-CZ 4.26Å; F9-F55 AromaticContact CE2-CE2 3.97Å; F9-F55 HydrophobicContact CE2-CE2 3.97Å; F9-F55 HydrophobicContact CE2-CZ 4.29Å; F9-F55 HydrophobicContact CZ-CD2 4.29Å; F9-F55 HydrophobicContact CZ-CE1 4.47Å; F9-F55 AromaticContact CZ-CE2 3.4Å; F9-F55 HydrophobicContact CZ-CE2 3.4Å; F9-F55 VanDerWaalsContact CZ-CE2 3.4Å; F9-F55 AromaticContact CZ-CZ 3.51Å; F9-F55 HydrophobicContact CZ-CZ 3.51Å; F9-V70 HydrophobicContact CZ-CG2 4.22Å; F9-K73 HydrophobicContact CB-CD 4.08Å; F9-K73 HydrophobicContact CB-CG 4.3Å; F9-K73 HydrophobicContact CD1-CD 3.76Å; F9-K73 HydrophobicContact CD2-CB 3.58Å; F9-K73 HydrophobicContact CD2-CD 3.55Å; F9-K73 HydrophobicContact CD2-CG 3.58Å; F9-K73 HydrophobicContact CE1-CD 3.98Å; F9-K73 HydrophobicContact CE2-CB 3.55Å; F9-K73 HydrophobicContact CE2-CD 3.81Å; F9-K73 HydrophobicContact CE2-CG 3.99Å; F9-K73 HydrophobicContact CG-CB 4.42Å; F9-K73 HydrophobicContact CG-CD 3.52Å; F9-K73 HydrophobicContact CG-CG 3.95Å; F9-K73 HydrophobicContact CZ-CB 4.34Å; F9-K73 HydrophobicContact CZ-CD 4Å |
| 10 | A | 91.5 | Very high | 86.7 | Confident | 40 Ų | 40 | 59.6 Ų | 59.6 | 33% | 0.331 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -78.4 | -27.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q6 V7 F8 Y27 | Q6-A10 WeakPolarHBondContact O-CB 3.21Å; Q6-A10 PolarHBondContact O-N 2.8Å; V7-A10 PolarHBondContact O-N 3.19Å; V7-A10 VanDerWaalsContact O-N 3.08Å; F8-A10 VanDerWaalsContact C-N 3.27Å; F8-A10 PolarHBondContact O-N 2.96Å; A10-Y27 HydrophobicContact CB-CD2 4.47Å; A10-Y27 HydrophobicContact CB-CE2 3.65Å |
| 11 | I | 94.5 | Very high | 87.1 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -81.4 | -44.1 | 174.8 | -61 | 162.5 | 0 | 0 | 0 | 110.6 | V7 F8 R13 I19 E23 L24 Y27 W41 | V7-I11 HydrophobicContact CG1-CD1 3.7Å; V7-I11 HydrophobicContact CG1-CG1 4.32Å; V7-I11 VanDerWaalsContact O-CG1 3.26Å; V7-I11 WeakPolarHBondContact O-CG1 3.28Å; V7-I11 PolarHBondContact O-N 3.1Å; F8-I11 PolarHBondContact O-N 3.35Å; I11-R13 PolarHBondContact O-N 2.85Å; I11-I19 HydrophobicContact CB-CD1 4.39Å; I11-I19 HydrophobicContact CB-CG2 3.98Å; I11-I19 HydrophobicContact CD1-CD1 4.04Å; I11-I19 HydrophobicContact CG2-CB 3.79Å; I11-I19 HydrophobicContact CG2-CD1 4.16Å; I11-I19 HydrophobicContact CG2-CG2 3.69Å; I11-E23 HydrophobicContact CG2-CB 3.68Å; I11-L24 HydrophobicContact CD1-CB 4.44Å; I11-L24 HydrophobicContact CD1-CD1 3.48Å; I11-L24 VanDerWaalsContact CD1-CD1 3.48Å; I11-Y27 HydrophobicContact CD1-CD1 4.22Å; I11-Y27 HydrophobicContact CD1-CG 4.29Å; I11-Y27 HydrophobicContact CG1-CD1 3.93Å; I11-Y27 HydrophobicContact CG1-CD2 3.84Å; I11-Y27 HydrophobicContact CG1-CE2 4.47Å; I11-Y27 HydrophobicContact CG1-CG 3.54Å; I11-W41 HydrophobicContact CD1-CH2 4.33Å; I11-W41 HydrophobicContact CD1-CZ3 4.21Å |
| 12 | D | 94.1 | Very high | 89.7 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 6% | 0.064 | 27% | 0.272 | C | S | . | . | trans | -72.6 | 66.1 | 178.9 | -172.2 | 25.4 | 0 | 0 | 0 | 112.1 | F8 D14 G15 T16 E17 I19 | F8-D12 HydrophobicContact CD1-CB 4.44Å; F8-D12 HydrophobicContact CE1-CB 4.14Å; F8-D12 WeakPolarHBondContact O-CB 3.33Å; F8-D12 PolarHBondContact O-N 3.26Å; D12-D14 VanDerWaalsContact C-N 3.31Å; D12-D14 PolarHBondContact O-N 2.86Å; D12-D14 VanDerWaalsContact OD1-OD1 3.05Å; D12-G15 PolarHBondContact O-N 3.07Å; D12-G15 PolarHBondContact OD1-N 3.15Å; D12-T16 PolarHBondContact OD1-N 3.16Å; D12-T16 PolarHBondContact OD1-OG1 2.88Å; D12-E17 VanDerWaalsContact OD2-CA 3.3Å; D12-E17 WeakPolarHBondContact OD2-CA 3.4Å; D12-E17 PolarHBondContact OD2-N 3Å; D12-I19 HydrophobicContact CB-CG2 3.61Å | ||
| 13 | R | 89.2 | Confident | 91.7 | Very high | 160 Ų | 160 | 48.8 Ų | 48.8 | 60% | 0.604 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -27.2 | -174.6 | -66.8 | -176.5 | -177 | 170.9 | 6.4 | 113.3 | I11 E30 | I11-R13 PolarHBondContact O-N 2.85Å; R13-E30 IonicContact CZ-OE2 3.55Å; R13-E30 IonicContact NH1-OE2 3.51Å; R13-E30 IonicContact NH2-OE2 2.71Å; R13-E30 PolarHBondContact NH2-OE2 2.89Å |
| 14 | D | 89.2 | Confident | 92.6 | Very high | 100 Ų | 100 | 45.9 Ų | 45.9 | 54% | 0.535 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -8.9 | 179.4 | 65.1 | 3.3 | 0 | 0 | 0 | 113 | D12 T16 | D12-D14 VanDerWaalsContact C-N 3.31Å; D12-D14 PolarHBondContact O-N 2.86Å; D12-D14 VanDerWaalsContact OD1-OD1 3.05Å; D14-T16 VanDerWaalsContact C-N 3.29Å; D14-T16 HydrophobicContact CB-CG2 4.24Å; D14-T16 PolarHBondContact O-N 3.09Å; D14-T16 WeakPolarHBondContact OD1-CB 3.46Å; D14-T16 VanDerWaalsContact OD1-CG2 3.27Å; D14-T16 WeakPolarHBondContact OD1-CG2 3.46Å; D14-T16 PolarHBondContact OD1-N 3.03Å; D14-T16 VanDerWaalsContact OD1-N 3.15Å; D14-T16 PolarHBondContact OD1-OG1 2.95Å; D14-T16 VanDerWaalsContact OD2-CG2 3.25Å; D14-T16 WeakPolarHBondContact OD2-CG2 3.28Å |
| 15 | G | 88.4 | Confident | 93 | Very high | 52 Ų | 52 | 46.8 Ų | 46.8 | 54% | 0.536 | 24% | 0.244 | S | C | . | . | trans | 69.3 | 28.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D12 E17 | D12-G15 PolarHBondContact O-N 3.07Å; D12-G15 PolarHBondContact OD1-N 3.15Å; G15-E17 PolarHBondContact O-N 3.02Å | ||
| 16 | T | 92.3 | Very high | 93.3 | Very high | 75 Ų | 75 | 52.3 Ų | 52.3 | 46% | 0.46 | 27% | 0.268 | S | S | . | . | trans | -78.7 | -2 | 178.9 | 56.2 | 0 | 0 | 0 | 0 | 113 | D12 D14 T18 | D12-T16 PolarHBondContact OD1-N 3.16Å; D12-T16 PolarHBondContact OD1-OG1 2.88Å; D14-T16 VanDerWaalsContact C-N 3.29Å; D14-T16 HydrophobicContact CB-CG2 4.24Å; D14-T16 PolarHBondContact O-N 3.09Å; D14-T16 WeakPolarHBondContact OD1-CB 3.46Å; D14-T16 VanDerWaalsContact OD1-CG2 3.27Å; D14-T16 WeakPolarHBondContact OD1-CG2 3.46Å; D14-T16 PolarHBondContact OD1-N 3.03Å; D14-T16 VanDerWaalsContact OD1-N 3.15Å; D14-T16 PolarHBondContact OD1-OG1 2.95Å; D14-T16 VanDerWaalsContact OD2-CG2 3.25Å; D14-T16 WeakPolarHBondContact OD2-CG2 3.28Å; T16-T18 PolarHBondContact O-N 2.83Å; T16-T18 VanDerWaalsContact O-N 3.14Å; T16-T18 PolarHBondContact OG1-O 3.48Å | ||
| 17 | E | 93.6 | Very high | 93.6 | Very high | 116 Ų | 116 | 51.5 Ų | 51.5 | 54% | 0.542 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 58.4 | 21.1 | -173.2 | -58.6 | -170.7 | 157.6 | 0 | 0 | 112.2 | D12 G15 T54 F55 | D12-E17 VanDerWaalsContact OD2-CA 3.3Å; D12-E17 WeakPolarHBondContact OD2-CA 3.4Å; D12-E17 PolarHBondContact OD2-N 3Å; G15-E17 PolarHBondContact O-N 3.02Å; E17-T54 CarbonylContact O-C 3.58Å; E17-F55 HydrophobicContact CB-CB 3.79Å; E17-F55 HydrophobicContact CG-CB 4.47Å; E17-F55 WeakPolarHBondContact O-CB 3.48Å; E17-F55 PolarHBondContact O-N 3.01Å |
| 18 | T | 95.9 | Very high | 93.8 | Very high | 29 Ų | 29 | 51.3 Ų | 51.3 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 114.4 | -179.6 | -60.5 | 0 | 0 | 0 | 0 | 109.9 | T16 R52 I53 T54 | T16-T18 PolarHBondContact O-N 2.83Å; T16-T18 VanDerWaalsContact O-N 3.14Å; T16-T18 PolarHBondContact OG1-O 3.48Å; T18-R52 HydrophobicContact CG2-CB 3.97Å; T18-R52 HydrophobicContact CG2-CG 4.28Å; T18-I53 WeakPolarHBondContact CA-O 3.35Å; T18-T54 HydrophobicContact CG2-CG2 4.34Å |
| 19 | I | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 140.2 | 174.1 | 66.8 | 176.1 | 0 | 0 | 0 | 110.5 | F8 I11 D12 W41 R52 I53 | F8-I19 HydrophobicContact CD2-CD1 3.86Å; F8-I19 HydrophobicContact CD2-CG1 4.31Å; F8-I19 HydrophobicContact CE1-CG2 4.47Å; F8-I19 HydrophobicContact CE2-CD1 4Å; F8-I19 HydrophobicContact CE2-CG1 3.92Å; F8-I19 HydrophobicContact CE2-CG2 4.19Å; F8-I19 HydrophobicContact CZ-CG2 4.14Å; I11-I19 HydrophobicContact CB-CD1 4.39Å; I11-I19 HydrophobicContact CB-CG2 3.98Å; I11-I19 HydrophobicContact CD1-CD1 4.04Å; I11-I19 HydrophobicContact CG2-CB 3.79Å; I11-I19 HydrophobicContact CG2-CD1 4.16Å; I11-I19 HydrophobicContact CG2-CG2 3.69Å; D12-I19 HydrophobicContact CB-CG2 3.61Å; I19-W41 HydrophobicContact CD1-CE3 3.99Å; I19-W41 HydrophobicContact CD1-CZ3 3.6Å; I19-R52 CarbonylContact O-C 3.57Å; I19-R52 WeakPolarHBondContact O-CA 3.34Å; I19-I53 HydrophobicContact CD1-CB 4.27Å; I19-I53 HydrophobicContact CD1-CD1 4.22Å; I19-I53 HydrophobicContact CG1-CB 3.71Å; I19-I53 HydrophobicContact CG1-CD1 4.34Å; I19-I53 HydrophobicContact CG1-CG2 4.34Å; I19-I53 PolarHBondContact N-O 3.26Å; I19-I53 PolarHBondContact O-N 3.25Å |
| 20 | T | 96.3 | Very high | 93.9 | Very high | 29 Ų | 29 | 57.7 Ų | 57.7 | 18% | 0.178 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 157.2 | 171.9 | 61.6 | 0 | 0 | 0 | 0 | 110.9 | E22 E23 L24 G51 | T20-E22 PolarHBondContact O-N 3.4Å; T20-E23 WeakPolarHBondContact CB-OE2 3.5Å; T20-E23 PolarHBondContact N-OE2 3.42Å; T20-E23 PolarHBondContact O-N 2.88Å; T20-E23 WeakPolarHBondContact OG1-CB 3.5Å; T20-E23 WeakPolarHBondContact OG1-CG 3.28Å; T20-E23 PolarHBondContact OG1-N 2.84Å; T20-E23 VanDerWaalsContact OG1-N 3.13Å; T20-E23 PolarHBondContact OG1-OE2 3.29Å; T20-L24 PolarHBondContact O-N 3.5Å; T20-G51 WeakPolarHBondContact CA-O 3.46Å |
| 21 | V | 94.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.8 | -32.4 | 173.5 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L24 K25 V38 K42 G51 | V21-L24 PolarHBondContact O-N 3.23Å; V21-K25 HydrophobicContact CG1-CD 4.34Å; V21-K25 WeakPolarHBondContact O-CG 3.44Å; V21-K25 PolarHBondContact O-N 3.49Å; V21-V38 HydrophobicContact CG1-CG1 4.39Å; V21-K42 HydrophobicContact CG1-CD 3.79Å; V21-K42 HydrophobicContact CG1-CG 4.47Å; V21-K42 HydrophobicContact CG2-CD 3.99Å; V21-K42 HydrophobicContact CG2-CG 4Å; V21-G51 PolarHBondContact N-O 2.94Å |
| 22 | E | 95 | Very high | 93.8 | Very high | 120 Ų | 120 | 68.7 Ų | 68.7 | 56% | 0.561 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.5 | -44.2 | 175.4 | -70.9 | 63.3 | -137.8 | 0 | 0 | 111.6 | T20 K25 K26 | T20-E22 PolarHBondContact O-N 3.4Å; E22-K25 PolarHBondContact O-N 2.69Å; E22-K26 WeakPolarHBondContact O-CB 3.17Å; E22-K26 PolarHBondContact O-N 2.79Å |
| 23 | E | 96.1 | Very high | 93.6 | Very high | 58 Ų | 58 | 71.2 Ų | 71.2 | 27% | 0.271 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 175.5 | -74.1 | 160.5 | 149.8 | 0 | 0 | 112 | I11 T20 K26 Y27 | I11-E23 HydrophobicContact CG2-CB 3.68Å; T20-E23 WeakPolarHBondContact CB-OE2 3.5Å; T20-E23 PolarHBondContact N-OE2 3.42Å; T20-E23 PolarHBondContact O-N 2.88Å; T20-E23 WeakPolarHBondContact OG1-CB 3.5Å; T20-E23 WeakPolarHBondContact OG1-CG 3.28Å; T20-E23 PolarHBondContact OG1-N 2.84Å; T20-E23 VanDerWaalsContact OG1-N 3.13Å; T20-E23 PolarHBondContact OG1-OE2 3.29Å; E23-K26 PolarHBondContact O-N 2.74Å; E23-Y27 WeakPolarHBondContact O-CB 3.49Å; E23-Y27 PolarHBondContact O-N 3.05Å |
| 24 | L | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 174.5 | 172.8 | 63.1 | 0 | 0 | 0 | 111.7 | I11 T20 V21 K26 Y27 V28 V38 W41 I53 | I11-L24 HydrophobicContact CD1-CB 4.44Å; I11-L24 HydrophobicContact CD1-CD1 3.48Å; I11-L24 VanDerWaalsContact CD1-CD1 3.48Å; T20-L24 PolarHBondContact O-N 3.5Å; V21-L24 PolarHBondContact O-N 3.23Å; L24-K26 VanDerWaalsContact C-N 3.34Å; L24-K26 PolarHBondContact O-N 2.92Å; L24-Y27 PolarHBondContact O-N 3.45Å; L24-V28 HydrophobicContact CD1-CG2 4.42Å; L24-V28 WeakPolarHBondContact O-CG2 3.37Å; L24-V28 PolarHBondContact O-N 2.9Å; L24-V38 HydrophobicContact CD2-CG1 4.21Å; L24-V38 HydrophobicContact CG-CG2 4.37Å; L24-W41 HydrophobicContact CD1-CD2 4.11Å; L24-W41 HydrophobicContact CD1-CE3 4.19Å; L24-W41 HydrophobicContact CD1-CG 4.29Å; L24-W41 HydrophobicContact CD2-CB 3.51Å; L24-W41 HydrophobicContact CD2-CD2 4.38Å; L24-W41 HydrophobicContact CD2-CE3 4.34Å; L24-W41 HydrophobicContact CD2-CG 4.08Å; L24-I53 HydrophobicContact CD2-CD1 4.5Å |
| 25 | K | 95.7 | Very high | 93.8 | Very high | 108 Ų | 108 | 69.9 Ų | 69.9 | 47% | 0.47 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 175.3 | -77.4 | 173.5 | 176.5 | 178.6 | 0 | 111.6 | V21 E22 Y27 V28 A29 V38 | V21-K25 HydrophobicContact CG1-CD 4.34Å; V21-K25 WeakPolarHBondContact O-CG 3.44Å; V21-K25 PolarHBondContact O-N 3.49Å; E22-K25 PolarHBondContact O-N 2.69Å; K25-Y27 VanDerWaalsContact C-N 3.34Å; K25-Y27 PolarHBondContact O-N 3.35Å; K25-V28 PolarHBondContact O-N 3.37Å; K25-A29 PolarHBondContact O-N 3.39Å; K25-V38 HydrophobicContact CG-CG1 3.87Å; K25-V38 HydrophobicContact CG-CG2 4.02Å |
| 26 | K | 96 | Very high | 94 | Very high | 120 Ų | 120 | 72.1 Ų | 72.1 | 52% | 0.522 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 177.4 | -178.4 | 176.3 | 174.9 | 178.9 | 0 | 111 | E22 E23 L24 A29 E30 | E22-K26 WeakPolarHBondContact O-CB 3.17Å; E22-K26 PolarHBondContact O-N 2.79Å; E23-K26 PolarHBondContact O-N 2.74Å; L24-K26 VanDerWaalsContact C-N 3.34Å; L24-K26 PolarHBondContact O-N 2.92Å; K26-A29 PolarHBondContact O-N 3.24Å; K26-E30 WeakPolarHBondContact CE-OE1 3.36Å; K26-E30 HydrophobicContact CG-CG 4.35Å; K26-E30 IonicContact NZ-OE1 2.77Å; K26-E30 WeakPolarHBondContact O-CB 3.46Å; K26-E30 WeakPolarHBondContact O-CG 3.33Å; K26-E30 PolarHBondContact O-N 2.83Å |
| 27 | Y | 94.9 | Very high | 94 | Very high | 16 Ų | 16 | 70.2 Ų | 70.2 | 6% | 0.063 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.2 | -44 | 176.9 | 178.1 | -90.7 | 0 | 0 | 0 | 112.6 | V7 A10 I11 E23 L24 K25 E30 N31 L33 M37 | V7-Y27 HydrophobicContact CG1-CD1 4.23Å; V7-Y27 HydrophobicContact CG1-CE1 3.65Å; A10-Y27 HydrophobicContact CB-CD2 4.47Å; A10-Y27 HydrophobicContact CB-CE2 3.65Å; I11-Y27 HydrophobicContact CD1-CD1 4.22Å; I11-Y27 HydrophobicContact CD1-CG 4.29Å; I11-Y27 HydrophobicContact CG1-CD1 3.93Å; I11-Y27 HydrophobicContact CG1-CD2 3.84Å; I11-Y27 HydrophobicContact CG1-CE2 4.47Å; I11-Y27 HydrophobicContact CG1-CG 3.54Å; E23-Y27 WeakPolarHBondContact O-CB 3.49Å; E23-Y27 PolarHBondContact O-N 3.05Å; L24-Y27 PolarHBondContact O-N 3.45Å; K25-Y27 VanDerWaalsContact C-N 3.34Å; K25-Y27 PolarHBondContact O-N 3.35Å; Y27-E30 PolarHBondContact O-N 3.1Å; Y27-N31 WeakPolarHBondContact CD2-ND2 3.49Å; Y27-N31 VanDerWaalsContact CE2-ND2 3.32Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.27Å; Y27-N31 WeakPolarHBondContact O-CB 3.31Å; Y27-N31 PolarHBondContact O-N 2.93Å; Y27-N31 PolarHBondContact O-ND2 3.32Å; Y27-L33 HydrophobicContact CD1-CD1 4.13Å; Y27-L33 HydrophobicContact CE1-CD1 3.62Å; Y27-M37 HydrophobicContact CE1-CE 4.49Å |
| 28 | V | 94.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 176.6 | 166.9 | 0 | 0 | 0 | 0 | 111.1 | L24 K25 K32 L33 M37 V38 | L24-V28 HydrophobicContact CD1-CG2 4.42Å; L24-V28 WeakPolarHBondContact O-CG2 3.37Å; L24-V28 PolarHBondContact O-N 2.9Å; K25-V28 PolarHBondContact O-N 3.37Å; V28-K32 PolarHBondContact O-N 2.98Å; V28-L33 HydrophobicContact CB-CB 4.45Å; V28-L33 HydrophobicContact CG1-CB 4.07Å; V28-L33 WeakPolarHBondContact CG1-O 3.49Å; V28-L33 HydrophobicContact CG2-CB 4.47Å; V28-L33 PolarHBondContact O-N 3.24Å; V28-M37 HydrophobicContact CG2-CB 4.18Å; V28-M37 HydrophobicContact CG2-CG 4.24Å; V28-M37 HydrophobicContact CG2-SD 3.95Å; V28-V38 HydrophobicContact CB-CG2 4.28Å; V28-V38 HydrophobicContact CG1-CG2 4.45Å; V28-V38 HydrophobicContact CG2-CG2 3.88Å |
| 29 | A | 94.5 | Very high | 94 | Very high | 71 Ų | 71 | 68.1 Ų | 68.1 | 59% | 0.587 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.3 | -45.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K25 K26 N31 K32 | K25-A29 PolarHBondContact O-N 3.39Å; K26-A29 PolarHBondContact O-N 3.24Å; A29-N31 VanDerWaalsContact C-N 3.31Å; A29-N31 PolarHBondContact O-N 3.15Å; A29-K32 PolarHBondContact O-N 2.9Å |
| 30 | E | 94.6 | Very high | 93.8 | Very high | 96 Ų | 96 | 74 Ų | 74 | 45% | 0.449 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.8 | -36.6 | 179.9 | -75.5 | 178.2 | 177.1 | 0 | 0 | 112.3 | R13 K26 Y27 | R13-E30 IonicContact CZ-OE2 3.55Å; R13-E30 IonicContact NH1-OE2 3.51Å; R13-E30 IonicContact NH2-OE2 2.71Å; R13-E30 PolarHBondContact NH2-OE2 2.89Å; K26-E30 WeakPolarHBondContact CE-OE1 3.36Å; K26-E30 HydrophobicContact CG-CG 4.35Å; K26-E30 IonicContact NZ-OE1 2.77Å; K26-E30 WeakPolarHBondContact O-CB 3.46Å; K26-E30 WeakPolarHBondContact O-CG 3.33Å; K26-E30 PolarHBondContact O-N 2.83Å; Y27-E30 PolarHBondContact O-N 3.1Å |
| 31 | N | 92.2 | Very high | 93.7 | Very high | 79 Ų | 79 | 72.8 Ų | 72.8 | 42% | 0.422 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 5.7 | -178.7 | -65.2 | -81.3 | 0 | 0 | 0 | 113.8 | Y27 A29 L33 | Y27-N31 WeakPolarHBondContact CD2-ND2 3.49Å; Y27-N31 VanDerWaalsContact CE2-ND2 3.32Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.27Å; Y27-N31 WeakPolarHBondContact O-CB 3.31Å; Y27-N31 PolarHBondContact O-N 2.93Å; Y27-N31 PolarHBondContact O-ND2 3.32Å; A29-N31 VanDerWaalsContact C-N 3.31Å; A29-N31 PolarHBondContact O-N 3.15Å; N31-L33 VanDerWaalsContact C-N 3.25Å; N31-L33 HydrophobicContact CB-CD1 4Å; N31-L33 HydrophobicContact CB-CD2 4.5Å; N31-L33 HydrophobicContact CB-CG 3.83Å; N31-L33 PolarHBondContact O-N 3.47Å |
| 32 | K | 91.6 | Very high | 93.7 | Very high | 198 Ų | 198 | 76.5 Ų | 76.5 | 86% | 0.861 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 41.1 | -178.6 | -54.6 | 178.4 | -177.8 | 178.8 | 0 | 113 | V28 A29 | V28-K32 PolarHBondContact O-N 2.98Å; A29-K32 PolarHBondContact O-N 2.9Å |
| 33 | L | 90.7 | Very high | 93.7 | Very high | 64 Ų | 64 | 75 Ų | 75 | 34% | 0.335 | 38% | 0.383 | S | S | . | . | trans | -85.9 | 165.5 | 178.1 | -58.9 | 175.5 | 0 | 0 | 0 | 110.7 | Y27 V28 N31 D35 M37 | Y27-L33 HydrophobicContact CD1-CD1 4.13Å; Y27-L33 HydrophobicContact CE1-CD1 3.62Å; V28-L33 HydrophobicContact CB-CB 4.45Å; V28-L33 HydrophobicContact CG1-CB 4.07Å; V28-L33 WeakPolarHBondContact CG1-O 3.49Å; V28-L33 HydrophobicContact CG2-CB 4.47Å; V28-L33 PolarHBondContact O-N 3.24Å; N31-L33 VanDerWaalsContact C-N 3.25Å; N31-L33 HydrophobicContact CB-CD1 4Å; N31-L33 HydrophobicContact CB-CD2 4.5Å; N31-L33 HydrophobicContact CB-CG 3.83Å; N31-L33 PolarHBondContact O-N 3.47Å; L33-D35 PolarHBondContact O-N 3.27Å; L33-M37 HydrophobicContact CB-SD 4.38Å; L33-M37 HydrophobicContact CD1-CE 4.43Å; L33-M37 HydrophobicContact CD1-SD 3.79Å | ||
| 34 | D | 91.8 | Very high | 93.6 | Very high | 109 Ų | 109 | 76 Ų | 76 | 58% | 0.583 | 39% | 0.389 | S | S | * | . | trans | -68.4 | 126.2 | 177 | -178.7 | -7.4 | 0 | 0 | 0 | 110.9 | M36 M37 | D34-M36 PolarHBondContact O-N 3.27Å; D34-M36 VanDerWaalsContact O-N 3.09Å; D34-M36 VanDerWaalsContact OD1-CB 3.32Å; D34-M36 WeakPolarHBondContact OD1-CB 3.35Å; D34-M36 WeakPolarHBondContact OD1-CG 3.48Å; D34-M36 PolarHBondContact OD1-N 3.46Å; D34-M37 WeakPolarHBondContact O-CB 3.31Å; D34-M37 PolarHBondContact O-N 3Å | ||
| 35 | D | 90.9 | Very high | 93.5 | Very high | 123 Ų | 123 | 76.2 Ų | 76.2 | 66% | 0.658 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -26.1 | 177.2 | -75.3 | -22.7 | 0 | 0 | 0 | 113.2 | L33 M37 V38 | L33-D35 PolarHBondContact O-N 3.27Å; D35-M37 PolarHBondContact O-N 2.88Å; D35-M37 VanDerWaalsContact O-N 3.1Å; D35-V38 WeakPolarHBondContact O-CB 3.4Å; D35-V38 PolarHBondContact O-N 3.37Å |
| 36 | M | 92.5 | Very high | 93.5 | Very high | 99 Ų | 99 | 71.5 Ų | 71.5 | 49% | 0.488 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.6 | -22.2 | 172.6 | -73.2 | -66.5 | -66.8 | 0 | 0 | 112.9 | D34 V38 T39 K40 | D34-M36 PolarHBondContact O-N 3.27Å; D34-M36 VanDerWaalsContact O-N 3.09Å; D34-M36 VanDerWaalsContact OD1-CB 3.32Å; D34-M36 WeakPolarHBondContact OD1-CB 3.35Å; D34-M36 WeakPolarHBondContact OD1-CG 3.48Å; D34-M36 PolarHBondContact OD1-N 3.46Å; M36-V38 VanDerWaalsContact C-N 3.29Å; M36-V38 PolarHBondContact O-N 3.48Å; M36-T39 PolarHBondContact O-N 3.26Å; M36-K40 WeakPolarHBondContact O-CG 3.26Å; M36-K40 PolarHBondContact O-N 2.81Å |
| 37 | M | 92.5 | Very high | 93.3 | Very high | 35 Ų | 35 | 70.5 Ų | 70.5 | 17% | 0.172 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.3 | -41.9 | 173.3 | -176.5 | 172.4 | 173 | 0 | 0 | 111.6 | V7 Y27 V28 L33 D34 D35 T39 K40 W41 | V7-M37 HydrophobicContact CB-CE 4.4Å; V7-M37 HydrophobicContact CG1-CE 3.36Å; V7-M37 HydrophobicContact CG2-CE 4.37Å; Y27-M37 HydrophobicContact CE1-CE 4.49Å; V28-M37 HydrophobicContact CG2-CB 4.18Å; V28-M37 HydrophobicContact CG2-CG 4.24Å; V28-M37 HydrophobicContact CG2-SD 3.95Å; L33-M37 HydrophobicContact CB-SD 4.38Å; L33-M37 HydrophobicContact CD1-CE 4.43Å; L33-M37 HydrophobicContact CD1-SD 3.79Å; D34-M37 WeakPolarHBondContact O-CB 3.31Å; D34-M37 PolarHBondContact O-N 3Å; D35-M37 PolarHBondContact O-N 2.88Å; D35-M37 VanDerWaalsContact O-N 3.1Å; M37-T39 PolarHBondContact O-N 2.89Å; M37-K40 PolarHBondContact O-N 3.21Å; M37-W41 HydrophobicContact CE-CZ2 4.16Å; M37-W41 WeakPolarHBondContact O-CB 3.42Å; M37-W41 VanDerWaalsContact O-CD1 3.23Å; M37-W41 PolarHBondContact O-N 2.71Å |
| 38 | V | 94 | Very high | 93.1 | Very high | 12 Ų | 12 | 78.6 Ų | 78.6 | 7% | 0.073 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.1 | -47.7 | 178.8 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | V21 L24 K25 V28 D35 M36 K40 W41 K42 | V21-V38 HydrophobicContact CG1-CG1 4.39Å; L24-V38 HydrophobicContact CD2-CG1 4.21Å; L24-V38 HydrophobicContact CG-CG2 4.37Å; K25-V38 HydrophobicContact CG-CG1 3.87Å; K25-V38 HydrophobicContact CG-CG2 4.02Å; V28-V38 HydrophobicContact CB-CG2 4.28Å; V28-V38 HydrophobicContact CG1-CG2 4.45Å; V28-V38 HydrophobicContact CG2-CG2 3.88Å; D35-V38 WeakPolarHBondContact O-CB 3.4Å; D35-V38 PolarHBondContact O-N 3.37Å; M36-V38 VanDerWaalsContact C-N 3.29Å; M36-V38 PolarHBondContact O-N 3.48Å; V38-K40 PolarHBondContact O-N 3.1Å; V38-W41 PolarHBondContact O-N 2.91Å; V38-K42 HydrophobicContact CG1-CD 4.1Å; V38-K42 HydrophobicContact CG1-CG 4.46Å; V38-K42 VanDerWaalsContact O-CG 3.31Å; V38-K42 WeakPolarHBondContact O-CG 3.32Å; V38-K42 PolarHBondContact O-N 3.02Å |
| 39 | T | 94.1 | Very high | 92.9 | Very high | 89 Ų | 89 | 81.5 Ų | 81.5 | 55% | 0.546 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 178.7 | -54 | 0 | 0 | 0 | 0 | 111.5 | M36 M37 S43 | M36-T39 PolarHBondContact O-N 3.26Å; M37-T39 PolarHBondContact O-N 2.89Å; T39-S43 WeakPolarHBondContact O-CB 3.27Å; T39-S43 PolarHBondContact O-N 3.48Å |
| 40 | K | 93.2 | Very high | 92.9 | Very high | 124 Ų | 124 | 82.3 Ų | 82.3 | 54% | 0.539 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 177.2 | -74.2 | 175.5 | -179.2 | 174.2 | 0 | 111.9 | M36 M37 V38 S43 L44 | M36-K40 WeakPolarHBondContact O-CG 3.26Å; M36-K40 PolarHBondContact O-N 2.81Å; M37-K40 PolarHBondContact O-N 3.21Å; V38-K40 PolarHBondContact O-N 3.1Å; K40-S43 PolarHBondContact O-N 2.8Å; K40-L44 WeakPolarHBondContact O-CB 3.12Å; K40-L44 VanDerWaalsContact O-CG 3.3Å; K40-L44 WeakPolarHBondContact O-CG 3.32Å; K40-L44 PolarHBondContact O-N 3.38Å |
| 41 | W | 94.2 | Very high | 92.8 | Very high | 4 Ų | 4 | 78.8 Ų | 78.8 | 2% | 0.015 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64 | -42 | 179.6 | -88.7 | 61.2 | 0 | 0 | 0 | 112.4 | F4 V7 F8 I11 I19 L24 M37 V38 S43 L44 F45 I53 F58 | F4-W41 HydrophobicContact CB-CZ2 4.46Å; F4-W41 AromaticContact CD1-CE2 3.73Å; F4-W41 AromaticContact CD1-CZ2 3.66Å; F4-W41 HydrophobicContact CD1-CZ2 3.66Å; F4-W41 AromaticContact CD1-NE1 3.62Å; F4-W41 HydrophobicContact CE1-CZ2 4.46Å; F4-W41 AromaticContact CE1-NE1 3.54Å; V7-W41 HydrophobicContact CB-CH2 3.92Å; V7-W41 HydrophobicContact CB-CZ2 3.7Å; V7-W41 HydrophobicContact CG1-CH2 3.86Å; V7-W41 HydrophobicContact CG1-CZ2 3.59Å; F8-W41 HydrophobicContact CB-CH2 4.12Å; F8-W41 HydrophobicContact CB-CZ3 4.42Å; F8-W41 HydrophobicContact CD2-CZ3 4.27Å; I11-W41 HydrophobicContact CD1-CH2 4.33Å; I11-W41 HydrophobicContact CD1-CZ3 4.21Å; I19-W41 HydrophobicContact CD1-CE3 3.99Å; I19-W41 HydrophobicContact CD1-CZ3 3.6Å; L24-W41 HydrophobicContact CD1-CD2 4.11Å; L24-W41 HydrophobicContact CD1-CE3 4.19Å; L24-W41 HydrophobicContact CD1-CG 4.29Å; L24-W41 HydrophobicContact CD2-CB 3.51Å; L24-W41 HydrophobicContact CD2-CD2 4.38Å; L24-W41 HydrophobicContact CD2-CE3 4.34Å; L24-W41 HydrophobicContact CD2-CG 4.08Å; M37-W41 HydrophobicContact CE-CZ2 4.16Å; M37-W41 WeakPolarHBondContact O-CB 3.42Å; M37-W41 VanDerWaalsContact O-CD1 3.23Å; M37-W41 PolarHBondContact O-N 2.71Å; V38-W41 PolarHBondContact O-N 2.91Å; W41-S43 PolarHBondContact O-N 3.12Å; W41-L44 PolarHBondContact O-N 3.48Å; W41-F45 HydrophobicContact CB-CD2 4.14Å; W41-F45 AromaticContact CD2-CD2 3.83Å; W41-F45 HydrophobicContact CD2-CD2 3.83Å; W41-F45 AromaticContact CD2-CE2 3.74Å; W41-F45 HydrophobicContact CD2-CE2 3.74Å; W41-F45 AromaticContact CE3-CD2 3.74Å; W41-F45 HydrophobicContact CE3-CD2 3.74Å; W41-F45 AromaticContact CE3-CE2 3.97Å; W41-F45 HydrophobicContact CE3-CE2 3.97Å; W41-F45 HydrophobicContact CG-CD2 4.02Å; W41-F45 HydrophobicContact CG-CE2 4.02Å; W41-F45 HydrophobicContact CZ2-CE2 4.49Å; W41-F45 HydrophobicContact CZ3-CD2 4.39Å; W41-F45 HydrophobicContact CZ3-CE2 4.42Å; W41-F45 WeakPolarHBondContact O-CB 3.45Å; W41-F45 WeakPolarHBondContact O-CD2 3.44Å; W41-F45 PolarHBondContact O-N 2.93Å; W41-I53 HydrophobicContact CE3-CD1 4.16Å; W41-F58 AromaticContact CH2-CE2 3.69Å; W41-F58 HydrophobicContact CH2-CE2 3.69Å; W41-F58 HydrophobicContact CH2-CZ 4.26Å; W41-F58 HydrophobicContact CZ2-CE2 4.4Å; W41-F58 HydrophobicContact CZ3-CD2 4.28Å; W41-F58 AromaticContact CZ3-CE2 3.78Å; W41-F58 HydrophobicContact CZ3-CE2 3.78Å |
| 42 | K | 94.3 | Very high | 93 | Very high | 81 Ų | 81 | 82 Ų | 82 | 35% | 0.352 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 174 | -69.8 | -179.1 | 82.7 | 172.7 | 0 | 111.2 | V21 V38 L44 D46 | V21-K42 HydrophobicContact CG1-CD 3.79Å; V21-K42 HydrophobicContact CG1-CG 4.47Å; V21-K42 HydrophobicContact CG2-CD 3.99Å; V21-K42 HydrophobicContact CG2-CG 4Å; V38-K42 HydrophobicContact CG1-CD 4.1Å; V38-K42 HydrophobicContact CG1-CG 4.46Å; V38-K42 VanDerWaalsContact O-CG 3.31Å; V38-K42 WeakPolarHBondContact O-CG 3.32Å; V38-K42 PolarHBondContact O-N 3.02Å; K42-L44 VanDerWaalsContact C-N 3.3Å; K42-L44 PolarHBondContact O-N 2.88Å; K42-D46 CarbonylContact O-C 3.43Å; K42-D46 WeakPolarHBondContact O-CA 3.31Å; K42-D46 PolarHBondContact O-N 2.96Å |
| 43 | S | 94.2 | Very high | 93.2 | Very high | 89 Ų | 89 | 72.6 Ų | 72.6 | 62% | 0.622 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.5 | -36 | 178.7 | -176.3 | 0 | 0 | 0 | 0 | 113.2 | T39 K40 W41 | T39-S43 WeakPolarHBondContact O-CB 3.27Å; T39-S43 PolarHBondContact O-N 3.48Å; K40-S43 PolarHBondContact O-N 2.8Å; W41-S43 PolarHBondContact O-N 3.12Å |
| 44 | L | 93.5 | Very high | 93.4 | Very high | 79 Ų | 79 | 71.9 Ų | 71.9 | 41% | 0.414 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -84.3 | -45.2 | -177 | -70.1 | 171.1 | 0 | 0 | 0 | 112.2 | K40 W41 K42 V61 | K40-L44 WeakPolarHBondContact O-CB 3.12Å; K40-L44 VanDerWaalsContact O-CG 3.3Å; K40-L44 WeakPolarHBondContact O-CG 3.32Å; K40-L44 PolarHBondContact O-N 3.38Å; W41-L44 PolarHBondContact O-N 3.48Å; K42-L44 VanDerWaalsContact C-N 3.3Å; K42-L44 PolarHBondContact O-N 2.88Å; L44-V61 WeakPolarHBondContact O-CG2 3.47Å |
| 45 | F | 94.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 67 Ų | 67 | 1% | 0.013 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -113.8 | -10.7 | -164.6 | -49.7 | -64.6 | 0 | 0 | 0 | 114.7 | F4 W41 P47 I53 F58 V61 L62 | F4-F45 AromaticContact CD1-CE2 3.83Å; F4-F45 HydrophobicContact CD1-CE2 3.83Å; F4-F45 AromaticContact CD1-CZ 3.8Å; F4-F45 HydrophobicContact CD1-CZ 3.8Å; F4-F45 HydrophobicContact CE1-CE2 4.08Å; F4-F45 HydrophobicContact CE1-CZ 4.18Å; F4-F45 HydrophobicContact CG-CZ 4.34Å; W41-F45 HydrophobicContact CB-CD2 4.14Å; W41-F45 AromaticContact CD2-CD2 3.83Å; W41-F45 HydrophobicContact CD2-CD2 3.83Å; W41-F45 AromaticContact CD2-CE2 3.74Å; W41-F45 HydrophobicContact CD2-CE2 3.74Å; W41-F45 AromaticContact CE3-CD2 3.74Å; W41-F45 HydrophobicContact CE3-CD2 3.74Å; W41-F45 AromaticContact CE3-CE2 3.97Å; W41-F45 HydrophobicContact CE3-CE2 3.97Å; W41-F45 HydrophobicContact CG-CD2 4.02Å; W41-F45 HydrophobicContact CG-CE2 4.02Å; W41-F45 HydrophobicContact CZ2-CE2 4.49Å; W41-F45 HydrophobicContact CZ3-CD2 4.39Å; W41-F45 HydrophobicContact CZ3-CE2 4.42Å; W41-F45 WeakPolarHBondContact O-CB 3.45Å; W41-F45 WeakPolarHBondContact O-CD2 3.44Å; W41-F45 PolarHBondContact O-N 2.93Å; F45-P47 VanDerWaalsContact C-CD 3.44Å; F45-I53 HydrophobicContact CB-CB 4.35Å; F45-I53 HydrophobicContact CB-CD1 3.99Å; F45-I53 HydrophobicContact CB-CG1 3.96Å; F45-I53 HydrophobicContact CB-CG2 3.46Å; F45-I53 VanDerWaalsContact CB-CG2 3.46Å; F45-I53 HydrophobicContact CG-CG2 4.33Å; F45-F58 AromaticContact CD1-CD2 3.62Å; F45-F58 HydrophobicContact CD1-CD2 3.62Å; F45-F58 HydrophobicContact CD1-CE2 4.19Å; F45-F58 HydrophobicContact CD1-CG 4.38Å; F45-F58 HydrophobicContact CD2-CD2 4.04Å; F45-F58 HydrophobicContact CD2-CE2 4.17Å; F45-F58 AromaticContact CE1-CD2 3.64Å; F45-F58 HydrophobicContact CE1-CD2 3.64Å; F45-F58 AromaticContact CE1-CE2 3.78Å; F45-F58 HydrophobicContact CE1-CE2 3.78Å; F45-F58 HydrophobicContact CE1-CG 4.44Å; F45-F58 HydrophobicContact CE2-CD2 4.07Å; F45-F58 AromaticContact CE2-CE2 3.77Å; F45-F58 HydrophobicContact CE2-CE2 3.77Å; F45-F58 AromaticContact CG-CD2 3.83Å; F45-F58 HydrophobicContact CG-CD2 3.83Å; F45-F58 HydrophobicContact CG-CE2 4.38Å; F45-F58 AromaticContact CZ-CD2 3.87Å; F45-F58 HydrophobicContact CZ-CD2 3.87Å; F45-F58 AromaticContact CZ-CE2 3.56Å; F45-F58 HydrophobicContact CZ-CE2 3.56Å; F45-F58 HydrophobicContact CZ-CZ 4.46Å; F45-V61 HydrophobicContact CD1-CB 3.87Å; F45-V61 HydrophobicContact CD1-CG1 3.76Å; F45-V61 HydrophobicContact CD1-CG2 4.3Å; F45-V61 HydrophobicContact CE1-CB 4.03Å; F45-V61 HydrophobicContact CE1-CG1 3.67Å; F45-L62 HydrophobicContact CE1-CD2 4Å; F45-L62 HydrophobicContact CE1-CG 4.09Å; F45-L62 HydrophobicContact CZ-CD2 4.12Å |
| 46 | D | 94.8 | Very high | 93.6 | Very high | 10 Ų | 10 | 68 Ų | 68 | 5% | 0.053 | 36% | 0.364 | C | S | . | . | trans | -130.9 | 58 | 172.1 | -176.9 | 29.2 | 0 | 0 | 0 | 111.5 | K42 K48 G49 T50 G51 I53 | K42-D46 CarbonylContact O-C 3.43Å; K42-D46 WeakPolarHBondContact O-CA 3.31Å; K42-D46 PolarHBondContact O-N 2.96Å; D46-K48 PolarHBondContact O-N 3.49Å; D46-K48 VanDerWaalsContact O-N 3.09Å; D46-G49 PolarHBondContact O-N 3.45Å; D46-G49 PolarHBondContact OD1-N 3.32Å; D46-G49 WeakPolarHBondContact OD2-CA 3.48Å; D46-T50 VanDerWaalsContact CG-N 3.33Å; D46-T50 WeakPolarHBondContact OD1-CB 3.23Å; D46-T50 PolarHBondContact OD1-N 3Å; D46-T50 PolarHBondContact OD1-OG1 3.39Å; D46-T50 PolarHBondContact OD2-N 3.49Å; D46-T50 VanDerWaalsContact OD2-N 3.09Å; D46-G51 WeakPolarHBondContact OD2-CA 3.32Å; D46-G51 PolarHBondContact OD2-N 3.32Å; D46-I53 HydrophobicContact CB-CG1 3.9Å | ||
| 47 | P | 91.1 | Very high | 93.6 | Very high | 99 Ų | 99 | 65.8 Ų | 65.8 | 64% | 0.643 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -19.2 | -175.9 | 26.8 | -35.7 | 0 | 0 | 0 | 113.3 | F45 | F45-P47 VanDerWaalsContact C-CD 3.44Š|
| 48 | K | 90.5 | Very high | 93.7 | Very high | 186 Ų | 186 | 64.1 Ų | 64.1 | 81% | 0.809 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -4.3 | 176.9 | -66.6 | -177 | -178.1 | -179.6 | 0 | 113.2 | D46 T50 | D46-K48 PolarHBondContact O-N 3.49Å; D46-K48 VanDerWaalsContact O-N 3.09Å; K48-T50 VanDerWaalsContact C-N 3.31Å; K48-T50 HydrophobicContact CB-CG2 3.93Å; K48-T50 PolarHBondContact O-N 3Å |
| 49 | G | 91.3 | Very high | 93.7 | Very high | 61 Ų | 61 | 63.6 Ų | 63.6 | 63% | 0.629 | 35% | 0.345 | S | S | * | . | trans | 63.7 | 34.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D46 G51 | D46-G49 PolarHBondContact O-N 3.45Å; D46-G49 PolarHBondContact OD1-N 3.32Å; D46-G49 WeakPolarHBondContact OD2-CA 3.48Å; G49-G51 PolarHBondContact O-N 3.28Å | ||
| 50 | T | 93.5 | Very high | 93.6 | Very high | 88 Ų | 88 | 64.2 Ų | 64.2 | 54% | 0.54 | 35% | 0.345 | S | S | . | . | trans | -71.3 | -16.6 | 179.9 | 65.6 | 0 | 0 | 0 | 0 | 113.1 | D46 K48 R52 | D46-T50 VanDerWaalsContact CG-N 3.33Å; D46-T50 WeakPolarHBondContact OD1-CB 3.23Å; D46-T50 PolarHBondContact OD1-N 3Å; D46-T50 PolarHBondContact OD1-OG1 3.39Å; D46-T50 PolarHBondContact OD2-N 3.49Å; D46-T50 VanDerWaalsContact OD2-N 3.09Å; K48-T50 VanDerWaalsContact C-N 3.31Å; K48-T50 HydrophobicContact CB-CG2 3.93Å; K48-T50 PolarHBondContact O-N 3Å; T50-R52 PolarHBondContact O-N 2.85Å; T50-R52 PolarHBondContact OG1-N 2.98Å; T50-R52 PolarHBondContact OG1-O 2.76Å | ||
| 51 | G | 94.5 | Very high | 93.6 | Very high | 22 Ų | 22 | 61.7 Ų | 61.7 | 23% | 0.227 | 34% | 0.34 | C | S | . | . | S | Bend | trans | 79.8 | 1.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T20 V21 D46 G49 | T20-G51 WeakPolarHBondContact CA-O 3.46Å; V21-G51 PolarHBondContact N-O 2.94Å; D46-G51 WeakPolarHBondContact OD2-CA 3.32Å; D46-G51 PolarHBondContact OD2-N 3.32Å; G49-G51 PolarHBondContact O-N 3.28Å |
| 52 | R | 96 | Very high | 93.5 | Very high | 148 Ų | 148 | 64.3 Ų | 64.3 | 56% | 0.558 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 137.6 | -177.4 | -67.5 | 178.3 | 174.3 | -104.5 | -1.1 | 110.5 | T18 I19 T50 | T18-R52 HydrophobicContact CG2-CB 3.97Å; T18-R52 HydrophobicContact CG2-CG 4.28Å; I19-R52 CarbonylContact O-C 3.57Å; I19-R52 WeakPolarHBondContact O-CA 3.34Å; T50-R52 PolarHBondContact O-N 2.85Å; T50-R52 PolarHBondContact OG1-N 2.98Å; T50-R52 PolarHBondContact OG1-O 2.76Å |
| 53 | I | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 109.3 | 173.9 | -60.1 | 163.4 | 0 | 0 | 0 | 107.3 | F8 T18 I19 L24 W41 F45 D46 F58 | F8-I53 HydrophobicContact CE2-CG2 4.11Å; T18-I53 WeakPolarHBondContact CA-O 3.35Å; I19-I53 HydrophobicContact CD1-CB 4.27Å; I19-I53 HydrophobicContact CD1-CD1 4.22Å; I19-I53 HydrophobicContact CG1-CB 3.71Å; I19-I53 HydrophobicContact CG1-CD1 4.34Å; I19-I53 HydrophobicContact CG1-CG2 4.34Å; I19-I53 PolarHBondContact N-O 3.26Å; I19-I53 PolarHBondContact O-N 3.25Å; L24-I53 HydrophobicContact CD2-CD1 4.5Å; W41-I53 HydrophobicContact CE3-CD1 4.16Å; F45-I53 HydrophobicContact CB-CB 4.35Å; F45-I53 HydrophobicContact CB-CD1 3.99Å; F45-I53 HydrophobicContact CB-CG1 3.96Å; F45-I53 HydrophobicContact CB-CG2 3.46Å; F45-I53 VanDerWaalsContact CB-CG2 3.46Å; F45-I53 HydrophobicContact CG-CG2 4.33Å; D46-I53 HydrophobicContact CB-CG1 3.9Å; I53-F58 HydrophobicContact CG2-CB 4.22Å; I53-F58 HydrophobicContact CG2-CD2 4.41Å |
| 54 | T | 94.7 | Very high | 93.4 | Very high | 49 Ų | 49 | 61.4 Ų | 61.4 | 30% | 0.301 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 149 | 177.2 | 72.9 | 0 | 0 | 0 | 0 | 110.8 | E17 T18 K56 T57 F58 | E17-T54 CarbonylContact O-C 3.58Å; T18-T54 HydrophobicContact CG2-CG2 4.34Å; T54-K56 PolarHBondContact O-N 2.82Å; T54-T57 PolarHBondContact O-N 2.88Å; T54-T57 WeakPolarHBondContact OG1-CB 3.3Å; T54-T57 PolarHBondContact OG1-N 3.08Å; T54-T57 PolarHBondContact OG1-OG1 3.48Å; T54-F58 VanDerWaalsContact O-CB 3.32Å; T54-F58 WeakPolarHBondContact O-CB 3.5Å; T54-F58 PolarHBondContact O-N 3.43Å |
| 55 | F | 94.4 | Very high | 93.3 | Very high | 6 Ų | 6 | 59.9 Ų | 59.9 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.7 | -35.8 | 178.1 | -175.8 | -123.3 | 0 | 0 | 0 | 112 | F8 F9 E17 F58 C59 P66 A69 V70 | F8-F55 AromaticContact CD1-CD2 3.81Å; F8-F55 HydrophobicContact CD1-CD2 3.81Å; F8-F55 HydrophobicContact CD1-CE2 4.41Å; F8-F55 HydrophobicContact CE1-CB 3.87Å; F8-F55 AromaticContact CE1-CD2 3.57Å; F8-F55 HydrophobicContact CE1-CD2 3.57Å; F8-F55 HydrophobicContact CE1-CG 4.12Å; F8-F55 HydrophobicContact CZ-CB 3.75Å; F8-F55 HydrophobicContact CZ-CD2 4.07Å; F8-F55 HydrophobicContact CZ-CG 4.41Å; F9-F55 HydrophobicContact CE1-CE2 4.01Å; F9-F55 HydrophobicContact CE1-CZ 4.26Å; F9-F55 AromaticContact CE2-CE2 3.97Å; F9-F55 HydrophobicContact CE2-CE2 3.97Å; F9-F55 HydrophobicContact CE2-CZ 4.29Å; F9-F55 HydrophobicContact CZ-CD2 4.29Å; F9-F55 HydrophobicContact CZ-CE1 4.47Å; F9-F55 AromaticContact CZ-CE2 3.4Å; F9-F55 HydrophobicContact CZ-CE2 3.4Å; F9-F55 VanDerWaalsContact CZ-CE2 3.4Å; F9-F55 AromaticContact CZ-CZ 3.51Å; F9-F55 HydrophobicContact CZ-CZ 3.51Å; E17-F55 HydrophobicContact CB-CB 3.79Å; E17-F55 HydrophobicContact CG-CB 4.47Å; E17-F55 WeakPolarHBondContact O-CB 3.48Å; E17-F55 PolarHBondContact O-N 3.01Å; F55-F58 PolarHBondContact O-N 2.85Å; F55-C59 WeakPolarHBondContact O-CB 3.29Å; F55-C59 PolarHBondContact O-N 3.32Å; F55-C59 PolarHBondContact O-SG 2.9Å; F55-P66 HydrophobicContact CD1-CB 4.47Å; F55-P66 HydrophobicContact CE1-CB 3.87Å; F55-A69 HydrophobicContact CE2-CB 3.85Å; F55-A69 HydrophobicContact CZ-CB 3.54Å; F55-V70 HydrophobicContact CE1-CG2 4.17Å; F55-V70 HydrophobicContact CZ-CG2 4.07Å |
| 56 | K | 92.9 | Very high | 93.2 | Very high | 144 Ų | 144 | 62.8 Ų | 62.8 | 63% | 0.626 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.4 | -56.2 | 173.8 | -175.9 | -179.4 | 177 | -177.4 | 0 | 111.6 | T54 F58 C59 D60 | T54-K56 PolarHBondContact O-N 2.82Å; K56-F58 PolarHBondContact O-N 3.31Å; K56-C59 PolarHBondContact O-N 3.27Å; K56-D60 PolarHBondContact O-N 2.95Å |
| 57 | T | 92.1 | Very high | 93 | Very high | 53 Ų | 53 | 66 Ų | 66 | 33% | 0.325 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.5 | -38.7 | 178.8 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | T54 D60 V61 | T54-T57 PolarHBondContact O-N 2.88Å; T54-T57 WeakPolarHBondContact OG1-CB 3.3Å; T54-T57 PolarHBondContact OG1-N 3.08Å; T54-T57 PolarHBondContact OG1-OG1 3.48Å; T57-D60 PolarHBondContact O-N 3.48Å; T57-V61 VanDerWaalsContact O-CG2 3.29Å; T57-V61 WeakPolarHBondContact O-CG2 3.46Å; T57-V61 PolarHBondContact O-N 2.91Å |
| 58 | F | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.1 | -48 | 176.5 | 179.7 | -91.6 | 0 | 0 | 0 | 112.3 | F4 V5 F8 W41 F45 I53 T54 F55 K56 V61 L62 | F4-F58 VanDerWaalsContact C-CZ 3.5Å; F4-F58 HydrophobicContact CB-CE2 4.21Å; F4-F58 HydrophobicContact CB-CZ 3.72Å; F4-F58 WeakPolarHBondContact O-CZ 3.13Å; V5-F58 HydrophobicContact CG2-CE1 4.19Å; F8-F58 HydrophobicContact CB-CD1 4.45Å; F8-F58 HydrophobicContact CB-CE1 3.99Å; F8-F58 HydrophobicContact CB-CE2 4.13Å; F8-F58 HydrophobicContact CB-CZ 3.8Å; F8-F58 HydrophobicContact CD2-CB 4.12Å; F8-F58 HydrophobicContact CD2-CD1 4.07Å; F8-F58 AromaticContact CD2-CD2 3.67Å; F8-F58 HydrophobicContact CD2-CD2 3.67Å; F8-F58 HydrophobicContact CD2-CE1 4.39Å; F8-F58 HydrophobicContact CD2-CE2 4.02Å; F8-F58 AromaticContact CD2-CG 3.68Å; F8-F58 HydrophobicContact CD2-CG 3.68Å; F8-F58 HydrophobicContact CD2-CZ 4.35Å; F8-F58 HydrophobicContact CE2-CB 4.06Å; F8-F58 HydrophobicContact CE2-CD2 4.35Å; F8-F58 HydrophobicContact CE2-CG 4.13Å; F8-F58 HydrophobicContact CG-CD1 4.26Å; F8-F58 HydrophobicContact CG-CD2 4.44Å; F8-F58 HydrophobicContact CG-CE1 4.29Å; F8-F58 HydrophobicContact CG-CE2 4.47Å; F8-F58 HydrophobicContact CG-CG 4.32Å; F8-F58 HydrophobicContact CG-CZ 4.38Å; W41-F58 AromaticContact CH2-CE2 3.69Å; W41-F58 HydrophobicContact CH2-CE2 3.69Å; W41-F58 HydrophobicContact CH2-CZ 4.26Å; W41-F58 HydrophobicContact CZ2-CE2 4.4Å; W41-F58 HydrophobicContact CZ3-CD2 4.28Å; W41-F58 AromaticContact CZ3-CE2 3.78Å; W41-F58 HydrophobicContact CZ3-CE2 3.78Å; F45-F58 AromaticContact CD1-CD2 3.62Å; F45-F58 HydrophobicContact CD1-CD2 3.62Å; F45-F58 HydrophobicContact CD1-CE2 4.19Å; F45-F58 HydrophobicContact CD1-CG 4.38Å; F45-F58 HydrophobicContact CD2-CD2 4.04Å; F45-F58 HydrophobicContact CD2-CE2 4.17Å; F45-F58 AromaticContact CE1-CD2 3.64Å; F45-F58 HydrophobicContact CE1-CD2 3.64Å; F45-F58 AromaticContact CE1-CE2 3.78Å; F45-F58 HydrophobicContact CE1-CE2 3.78Å; F45-F58 HydrophobicContact CE1-CG 4.44Å; F45-F58 HydrophobicContact CE2-CD2 4.07Å; F45-F58 AromaticContact CE2-CE2 3.77Å; F45-F58 HydrophobicContact CE2-CE2 3.77Å; F45-F58 AromaticContact CG-CD2 3.83Å; F45-F58 HydrophobicContact CG-CD2 3.83Å; F45-F58 HydrophobicContact CG-CE2 4.38Å; F45-F58 AromaticContact CZ-CD2 3.87Å; F45-F58 HydrophobicContact CZ-CD2 3.87Å; F45-F58 AromaticContact CZ-CE2 3.56Å; F45-F58 HydrophobicContact CZ-CE2 3.56Å; F45-F58 HydrophobicContact CZ-CZ 4.46Å; I53-F58 HydrophobicContact CG2-CB 4.22Å; I53-F58 HydrophobicContact CG2-CD2 4.41Å; T54-F58 VanDerWaalsContact O-CB 3.32Å; T54-F58 WeakPolarHBondContact O-CB 3.5Å; T54-F58 PolarHBondContact O-N 3.43Å; F55-F58 PolarHBondContact O-N 2.85Å; K56-F58 PolarHBondContact O-N 3.31Å; F58-V61 PolarHBondContact O-N 3.4Å; F58-L62 HydrophobicContact CD1-CD1 4.07Å; F58-L62 HydrophobicContact CE1-CD1 3.41Å; F58-L62 VanDerWaalsContact CE1-CD1 3.41Å; F58-L62 HydrophobicContact CE1-CG 4.47Å; F58-L62 HydrophobicContact CE2-CD1 4.25Å; F58-L62 HydrophobicContact CZ-CD1 3.52Å; F58-L62 WeakPolarHBondContact O-CG 3.32Å; F58-L62 PolarHBondContact O-N 3.07Å |
| 59 | C | 93.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.007 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | 175.3 | -70.3 | 0 | 0 | 0 | 0 | 111.9 | F55 K56 V61 L62 G63 L64 | F55-C59 WeakPolarHBondContact O-CB 3.29Å; F55-C59 PolarHBondContact O-N 3.32Å; F55-C59 PolarHBondContact O-SG 2.9Å; K56-C59 PolarHBondContact O-N 3.27Å; C59-V61 VanDerWaalsContact C-N 3.33Å; C59-V61 PolarHBondContact O-N 3.31Å; C59-L62 CarbonylContact O-C 3.59Å; C59-L62 PolarHBondContact O-N 3.07Å; C59-L62 VanDerWaalsContact O-N 3.16Å; C59-G63 PolarHBondContact O-N 3.45Å; C59-G63 VanDerWaalsContact O-N 3.08Å; C59-L64 CarbonylContact C-O 3.42Å; C59-L64 WeakPolarHBondContact CB-O 3.38Å; C59-L64 PolarHBondContact O-N 3.46Å |
| 60 | D | 93 | Very high | 92.8 | Very high | 101 Ų | 101 | 57.4 Ų | 57.4 | 54% | 0.54 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.5 | -45 | 179.3 | -67.5 | -22.9 | 0 | 0 | 0 | 111.3 | K56 T57 L62 G63 | K56-D60 PolarHBondContact O-N 2.95Å; T57-D60 PolarHBondContact O-N 3.48Å; D60-L62 PolarHBondContact O-N 3.22Å; D60-G63 PolarHBondContact O-N 3.19Å |
| 61 | V | 93.5 | Very high | 92.6 | Very high | 72 Ų | 72 | 55.9 Ų | 55.9 | 44% | 0.436 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.5 | -35.8 | 178.7 | 171.3 | 0 | 0 | 0 | 0 | 112.2 | L44 F45 T57 F58 C59 G63 | L44-V61 WeakPolarHBondContact O-CG2 3.47Å; F45-V61 HydrophobicContact CD1-CB 3.87Å; F45-V61 HydrophobicContact CD1-CG1 3.76Å; F45-V61 HydrophobicContact CD1-CG2 4.3Å; F45-V61 HydrophobicContact CE1-CB 4.03Å; F45-V61 HydrophobicContact CE1-CG1 3.67Å; T57-V61 VanDerWaalsContact O-CG2 3.29Å; T57-V61 WeakPolarHBondContact O-CG2 3.46Å; T57-V61 PolarHBondContact O-N 2.91Å; F58-V61 PolarHBondContact O-N 3.4Å; C59-V61 VanDerWaalsContact C-N 3.33Å; C59-V61 PolarHBondContact O-N 3.31Å; V61-G63 VanDerWaalsContact C-N 3.26Å; V61-G63 PolarHBondContact O-N 3.03Å |
| 62 | L | 91.8 | Very high | 92.3 | Very high | 59 Ų | 59 | 59 Ų | 59 | 31% | 0.309 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -80.6 | -4.1 | 177.7 | -65.6 | -176.3 | 0 | 0 | 0 | 113.6 | F4 V5 F45 F58 C59 D60 L64 | F4-L62 HydrophobicContact CB-CD1 4.04Å; V5-L62 HydrophobicContact CG2-CD1 4.11Å; F45-L62 HydrophobicContact CE1-CD2 4Å; F45-L62 HydrophobicContact CE1-CG 4.09Å; F45-L62 HydrophobicContact CZ-CD2 4.12Å; F58-L62 HydrophobicContact CD1-CD1 4.07Å; F58-L62 HydrophobicContact CE1-CD1 3.41Å; F58-L62 VanDerWaalsContact CE1-CD1 3.41Å; F58-L62 HydrophobicContact CE1-CG 4.47Å; F58-L62 HydrophobicContact CE2-CD1 4.25Å; F58-L62 HydrophobicContact CZ-CD1 3.52Å; F58-L62 WeakPolarHBondContact O-CG 3.32Å; F58-L62 PolarHBondContact O-N 3.07Å; C59-L62 CarbonylContact O-C 3.59Å; C59-L62 PolarHBondContact O-N 3.07Å; C59-L62 VanDerWaalsContact O-N 3.16Å; D60-L62 PolarHBondContact O-N 3.22Å; L62-L64 HydrophobicContact CB-CD1 3.92Å; L62-L64 HydrophobicContact CB-CG 3.97Å; L62-L64 HydrophobicContact CD1-CD1 4.1Å; L62-L64 PolarHBondContact O-N 3.1Å |
| 63 | G | 93.3 | Very high | 91.7 | Very high | 67 Ų | 67 | 54.9 Ų | 54.9 | 69% | 0.691 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 29 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | C59 D60 V61 | C59-G63 PolarHBondContact O-N 3.45Å; C59-G63 VanDerWaalsContact O-N 3.08Å; D60-G63 PolarHBondContact O-N 3.19Å; V61-G63 VanDerWaalsContact C-N 3.26Å; V61-G63 PolarHBondContact O-N 3.03Å |
| 64 | L | 92.1 | Very high | 91.1 | Very high | 41 Ų | 41 | 57.7 Ų | 57.7 | 22% | 0.215 | 35% | 0.345 | C | S | . | . | trans | -108.5 | 149.2 | 179.1 | -62.7 | 174.3 | 0 | 0 | 0 | 110.1 | V5 C59 L62 Q68 A69 M72 | V5-L64 HydrophobicContact CG2-CD1 3.81Å; C59-L64 CarbonylContact C-O 3.42Å; C59-L64 WeakPolarHBondContact CB-O 3.38Å; C59-L64 PolarHBondContact O-N 3.46Å; L62-L64 HydrophobicContact CB-CD1 3.92Å; L62-L64 HydrophobicContact CB-CG 3.97Å; L62-L64 HydrophobicContact CD1-CD1 4.1Å; L62-L64 PolarHBondContact O-N 3.1Å; L64-Q68 HydrophobicContact CD2-CB 4.47Å; L64-A69 HydrophobicContact CD1-CB 4.5Å; L64-M72 HydrophobicContact CD1-SD 4.04Å; L64-M72 HydrophobicContact CD2-SD 4.44Å | ||
| 65 | S | 92.6 | Very high | 90.3 | Very high | 47 Ų | 47 | 61.9 Ų | 61.9 | 33% | 0.329 | 36% | 0.361 | S | S | . | . | trans | -79.4 | 153.3 | 160.7 | 63.6 | 0 | 0 | 0 | 0 | 110.8 | A67 Q68 A69 | S65-A67 PolarHBondContact O-N 2.91Å; S65-Q68 WeakPolarHBondContact O-CB 3.35Å; S65-Q68 PolarHBondContact O-N 2.77Å; S65-Q68 WeakPolarHBondContact OG-CB 3.44Å; S65-Q68 VanDerWaalsContact OG-CD 3.31Å; S65-Q68 WeakPolarHBondContact OG-CG 3.44Å; S65-Q68 PolarHBondContact OG-N 3.14Å; S65-Q68 PolarHBondContact OG-OE1 3.4Å; S65-A69 PolarHBondContact O-N 2.89Å | ||
| 66 | P | 90.8 | Very high | 89.4 | Confident | 65 Ų | 65 | 65.4 Ų | 65.4 | 42% | 0.422 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -52.7 | -40.3 | 173.5 | -29.6 | 36.5 | 0 | 0 | 0 | 113 | F55 Q68 A69 V70 | F55-P66 HydrophobicContact CD1-CB 4.47Å; F55-P66 HydrophobicContact CE1-CB 3.87Å; P66-Q68 PolarHBondContact O-N 2.96Å; P66-A69 PolarHBondContact O-N 3.02Å; P66-V70 WeakPolarHBondContact O-CG2 3.26Å; P66-V70 PolarHBondContact O-N 3.27Å |
| 67 | A | 91.3 | Very high | 88.5 | Confident | 76 Ų | 76 | 63.6 Ų | 63.6 | 63% | 0.628 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.3 | -40.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | S65 A71 | S65-A67 PolarHBondContact O-N 2.91Å; A67-A71 WeakPolarHBondContact O-CB 3.49Å; A67-A71 PolarHBondContact O-N 2.93Å |
| 68 | Q | 90.3 | Very high | 87.5 | Confident | 102 Ų | 102 | 66.7 Ų | 66.7 | 48% | 0.477 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66 | -44.2 | 175.7 | -75.9 | 166.7 | -45.7 | 0 | 0 | 111.7 | L64 S65 P66 V70 A71 M72 | L64-Q68 HydrophobicContact CD2-CB 4.47Å; S65-Q68 WeakPolarHBondContact O-CB 3.35Å; S65-Q68 PolarHBondContact O-N 2.77Å; S65-Q68 WeakPolarHBondContact OG-CB 3.44Å; S65-Q68 VanDerWaalsContact OG-CD 3.31Å; S65-Q68 WeakPolarHBondContact OG-CG 3.44Å; S65-Q68 PolarHBondContact OG-N 3.14Å; S65-Q68 PolarHBondContact OG-OE1 3.4Å; P66-Q68 PolarHBondContact O-N 2.96Å; Q68-V70 PolarHBondContact O-N 3.42Å; Q68-A71 PolarHBondContact O-N 3.4Å; Q68-M72 VanDerWaalsContact O-CG 3.32Å; Q68-M72 WeakPolarHBondContact O-CG 3.4Å; Q68-M72 PolarHBondContact O-N 3.06Å |
| 69 | A | 90.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.5 | -41 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V5 F55 L64 S65 P66 M72 K73 | V5-A69 HydrophobicContact CG1-CB 4.14Å; V5-A69 WeakPolarHBondContact CG1-O 3.32Å; V5-A69 HydrophobicContact CG2-CB 4.48Å; F55-A69 HydrophobicContact CE2-CB 3.85Å; F55-A69 HydrophobicContact CZ-CB 3.54Å; L64-A69 HydrophobicContact CD1-CB 4.5Å; S65-A69 PolarHBondContact O-N 2.89Å; P66-A69 PolarHBondContact O-N 3.02Å; A69-M72 PolarHBondContact O-N 3.37Å; A69-K73 PolarHBondContact O-N 3.43Å |
| 70 | V | 89.1 | Confident | 85.1 | Confident | 65 Ų | 65 | 72.7 Ų | 72.7 | 39% | 0.394 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 172.8 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | F9 F55 P66 Q68 M72 K73 T74 | F9-V70 HydrophobicContact CZ-CG2 4.22Å; F55-V70 HydrophobicContact CE1-CG2 4.17Å; F55-V70 HydrophobicContact CZ-CG2 4.07Å; P66-V70 WeakPolarHBondContact O-CG2 3.26Å; P66-V70 PolarHBondContact O-N 3.27Å; Q68-V70 PolarHBondContact O-N 3.42Å; V70-M72 VanDerWaalsContact C-N 3.32Å; V70-M72 PolarHBondContact O-N 2.72Å; V70-K73 WeakPolarHBondContact O-CB 3.37Å; V70-K73 PolarHBondContact O-N 2.89Å; V70-T74 PolarHBondContact O-N 2.81Å; V70-T74 PolarHBondContact O-OG1 2.67Å; V70-T74 VanDerWaalsContact O-OG1 3.1Å |
| 71 | A | 88.3 | Confident | 84.4 | Confident | 55 Ų | 55 | 71.9 Ų | 71.9 | 46% | 0.455 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | A67 Q68 T74 Q75 | A67-A71 WeakPolarHBondContact O-CB 3.49Å; A67-A71 PolarHBondContact O-N 2.93Å; Q68-A71 PolarHBondContact O-N 3.4Å; A71-T74 PolarHBondContact O-N 3.43Å; A71-Q75 WeakPolarHBondContact O-CB 3.08Å; A71-Q75 PolarHBondContact O-N 3.38Å |
| 72 | M | 87.4 | Confident | 84 | Confident | 87 Ų | 87 | 71.1 Ų | 71.1 | 43% | 0.429 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 175.5 | -70.9 | 178.5 | 108.6 | 0 | 0 | 112.4 | V5 L64 Q68 A69 V70 H76 | V5-M72 HydrophobicContact CG1-CB 4.25Å; V5-M72 HydrophobicContact CG2-SD 4.21Å; L64-M72 HydrophobicContact CD1-SD 4.04Å; L64-M72 HydrophobicContact CD2-SD 4.44Å; Q68-M72 VanDerWaalsContact O-CG 3.32Å; Q68-M72 WeakPolarHBondContact O-CG 3.4Å; Q68-M72 PolarHBondContact O-N 3.06Å; A69-M72 PolarHBondContact O-N 3.37Å; V70-M72 VanDerWaalsContact C-N 3.32Å; V70-M72 PolarHBondContact O-N 2.72Å; M72-H76 WeakPolarHBondContact O-CB 3.42Å; M72-H76 PolarHBondContact O-N 2.88Å |
| 73 | K | 84 | Confident | 84 | Confident | 62 Ų | 62 | 76.2 Ų | 76.2 | 27% | 0.27 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.7 | -52 | 173.1 | -177.4 | -163.5 | -174.4 | 168.1 | 0 | 110.8 | F9 A69 V70 Q75 H76 Q77 | F9-K73 HydrophobicContact CB-CD 4.08Å; F9-K73 HydrophobicContact CB-CG 4.3Å; F9-K73 HydrophobicContact CD1-CD 3.76Å; F9-K73 HydrophobicContact CD2-CB 3.58Å; F9-K73 HydrophobicContact CD2-CD 3.55Å; F9-K73 HydrophobicContact CD2-CG 3.58Å; F9-K73 HydrophobicContact CE1-CD 3.98Å; F9-K73 HydrophobicContact CE2-CB 3.55Å; F9-K73 HydrophobicContact CE2-CD 3.81Å; F9-K73 HydrophobicContact CE2-CG 3.99Å; F9-K73 HydrophobicContact CG-CB 4.42Å; F9-K73 HydrophobicContact CG-CD 3.52Å; F9-K73 HydrophobicContact CG-CG 3.95Å; F9-K73 HydrophobicContact CZ-CB 4.34Å; F9-K73 HydrophobicContact CZ-CD 4Å; A69-K73 PolarHBondContact O-N 3.43Å; V70-K73 WeakPolarHBondContact O-CB 3.37Å; V70-K73 PolarHBondContact O-N 2.89Å; K73-Q75 PolarHBondContact O-N 3.46Å; K73-H76 PolarHBondContact O-N 2.76Å; K73-Q77 HydrophobicContact CG-CG 4.48Å; K73-Q77 WeakPolarHBondContact O-CB 3.32Å; K73-Q77 WeakPolarHBondContact O-CG 3.2Å; K73-Q77 PolarHBondContact O-N 3.35Å |
| 74 | T | 83.3 | Confident | 84.1 | Confident | 59 Ų | 59 | 75 Ų | 75 | 36% | 0.362 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | -177.8 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | V70 A71 H76 Q77 Q78 | V70-T74 PolarHBondContact O-N 2.81Å; V70-T74 PolarHBondContact O-OG1 2.67Å; V70-T74 VanDerWaalsContact O-OG1 3.1Å; A71-T74 PolarHBondContact O-N 3.43Å; T74-H76 VanDerWaalsContact C-N 3.32Å; T74-H76 PolarHBondContact O-N 2.83Å; T74-Q77 PolarHBondContact O-N 3.01Å; T74-Q78 WeakPolarHBondContact O-CB 3.33Å; T74-Q78 WeakPolarHBondContact O-CG 3.46Å; T74-Q78 PolarHBondContact O-N 3.01Å |
| 75 | Q | 78.3 | Confident | 84.3 | Confident | 137 Ų | 137 | 76.5 Ų | 76.5 | 64% | 0.64 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62 | -41 | 177.3 | -171.2 | -179.9 | 5.1 | 0 | 0 | 111.5 | A71 K73 A79 | A71-Q75 WeakPolarHBondContact O-CB 3.08Å; A71-Q75 PolarHBondContact O-N 3.38Å; K73-Q75 PolarHBondContact O-N 3.46Å; Q75-A79 WeakPolarHBondContact O-CB 3.33Å; Q75-A79 PolarHBondContact O-N 3.49Å |
| 76 | H | 74.9 | Confident | 84.4 | Confident | 81 Ų | 81 | 79.9 Ų | 79.9 | 38% | 0.375 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.9 | -39.5 | 177.6 | -167.1 | 63.7 | 0 | 0 | 0 | 113 | Q6 M72 K73 T74 Q78 A79 S80 | Q6-H76 VanDerWaalsContact CD-NE2 3.32Å; Q6-H76 HydrophobicContact CG-CB 4.22Å; Q6-H76 PolarHBondContact NE2-CD2 2.91Å; Q6-H76 PolarHBondContact NE2-CE1 3.34Å; Q6-H76 VanDerWaalsContact NE2-CE1 3.32Å; Q6-H76 PolarHBondContact NE2-ND1 2.87Å; Q6-H76 PolarHBondContact NE2-NE2 2.82Å; Q6-H76 PolarHBondContact OE1-CD2 2.84Å; Q6-H76 VanDerWaalsContact OE1-CD2 3.22Å; Q6-H76 PolarHBondContact OE1-NE2 2.71Å; M72-H76 WeakPolarHBondContact O-CB 3.42Å; M72-H76 PolarHBondContact O-N 2.88Å; K73-H76 PolarHBondContact O-N 2.76Å; T74-H76 VanDerWaalsContact C-N 3.32Å; T74-H76 PolarHBondContact O-N 2.83Å; H76-Q78 VanDerWaalsContact C-N 3.33Å; H76-Q78 PolarHBondContact O-N 2.89Å; H76-A79 PolarHBondContact O-N 2.92Å; H76-S80 WeakPolarHBondContact O-CB 3.38Å; H76-S80 PolarHBondContact O-N 3.31Å; H76-S80 PolarHBondContact O-OG 3.3Å |
| 77 | Q | 73.3 | Confident | 84.6 | Confident | 105 Ų | 105 | 79.7 Ų | 79.7 | 49% | 0.491 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 174.8 | -76.5 | -179.2 | -25 | 0 | 0 | 110.9 | K73 T74 A79 S80 S81 | K73-Q77 HydrophobicContact CG-CG 4.48Å; K73-Q77 WeakPolarHBondContact O-CB 3.32Å; K73-Q77 WeakPolarHBondContact O-CG 3.2Å; K73-Q77 PolarHBondContact O-N 3.35Å; T74-Q77 PolarHBondContact O-N 3.01Å; Q77-A79 PolarHBondContact O-N 3.33Å; Q77-S80 WeakPolarHBondContact CA-OG 3.45Å; Q77-S80 PolarHBondContact O-N 2.88Å; Q77-S80 PolarHBondContact O-OG 2.91Å; Q77-S81 PolarHBondContact O-N 2.85Å; Q77-S81 PolarHBondContact O-OG 3.35Å |
| 78 | Q | 71 | Confident | 84.9 | Confident | 118 Ų | 118 | 76.8 Ų | 76.8 | 55% | 0.551 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -58.9 | -47.5 | 173.4 | -73.2 | 176.6 | -4.4 | 0 | 0 | 111.3 | T74 H76 S80 S81 L82 | T74-Q78 WeakPolarHBondContact O-CB 3.33Å; T74-Q78 WeakPolarHBondContact O-CG 3.46Å; T74-Q78 PolarHBondContact O-N 3.01Å; H76-Q78 VanDerWaalsContact C-N 3.33Å; H76-Q78 PolarHBondContact O-N 2.89Å; Q78-S80 VanDerWaalsContact C-N 3.34Å; Q78-S80 PolarHBondContact O-N 3.48Å; Q78-S81 PolarHBondContact O-N 2.72Å; Q78-S81 PolarHBondContact O-OG 3.22Å; Q78-L82 WeakPolarHBondContact O-CD1 3.41Å; Q78-L82 PolarHBondContact O-N 3.09Å; Q78-L82 VanDerWaalsContact O-N 3.1Å |
| 79 | A | 67.8 | Low | 85.3 | Confident | 51 Ų | 51 | 76.2 Ų | 76.2 | 42% | 0.421 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.3 | -38 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q75 H76 Q77 S81 L82 | Q75-A79 WeakPolarHBondContact O-CB 3.33Å; Q75-A79 PolarHBondContact O-N 3.49Å; H76-A79 PolarHBondContact O-N 2.92Å; Q77-A79 PolarHBondContact O-N 3.33Å; A79-S81 VanDerWaalsContact C-N 3.29Å; A79-S81 PolarHBondContact O-N 3.49Å; A79-L82 WeakPolarHBondContact O-CB 3.39Å; A79-L82 PolarHBondContact O-N 2.75Å |
| 80 | S | 70.8 | Confident | 85.6 | Confident | 77 Ų | 77 | 78.7 Ų | 78.7 | 54% | 0.538 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.3 | -27.1 | 177.7 | 74 | 0 | 0 | 0 | 0 | 113.1 | H76 Q77 Q78 | H76-S80 WeakPolarHBondContact O-CB 3.38Å; H76-S80 PolarHBondContact O-N 3.31Å; H76-S80 PolarHBondContact O-OG 3.3Å; Q77-S80 WeakPolarHBondContact CA-OG 3.45Å; Q77-S80 PolarHBondContact O-N 2.88Å; Q77-S80 PolarHBondContact O-OG 2.91Å; Q78-S80 VanDerWaalsContact C-N 3.34Å; Q78-S80 PolarHBondContact O-N 3.48Å |
| 81 | S | 77.8 | Confident | 86 | Confident | 84 Ų | 84 | 79.3 Ų | 79.3 | 59% | 0.587 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -82.2 | -19.1 | 174.3 | 72.1 | 0 | 0 | 0 | 0 | 112.9 | Q77 Q78 A79 K83 | Q77-S81 PolarHBondContact O-N 2.85Å; Q77-S81 PolarHBondContact O-OG 3.35Å; Q78-S81 PolarHBondContact O-N 2.72Å; Q78-S81 PolarHBondContact O-OG 3.22Å; A79-S81 VanDerWaalsContact C-N 3.29Å; A79-S81 PolarHBondContact O-N 3.49Å; S81-K83 PolarHBondContact O-N 3.05Å |
| 82 | L | 85.3 | Confident | 86.4 | Confident | 56 Ų | 56 | 81.1 Ų | 81.1 | 29% | 0.293 | 43% | 0.431 | S | S | . | . | trans | -67.7 | 122 | 178.5 | -112.3 | 94.2 | 0 | 0 | 0 | 109.9 | Q78 A79 L97 D98 V101 | Q78-L82 WeakPolarHBondContact O-CD1 3.41Å; Q78-L82 PolarHBondContact O-N 3.09Å; Q78-L82 VanDerWaalsContact O-N 3.1Å; A79-L82 WeakPolarHBondContact O-CB 3.39Å; A79-L82 PolarHBondContact O-N 2.75Å; L82-L97 HydrophobicContact CB-CD2 4.42Å; L82-L97 WeakPolarHBondContact O-CD2 3.3Å; L82-D98 HydrophobicContact CD2-CB 3.83Å; L82-V101 HydrophobicContact CD2-CB 3.96Å; L82-V101 HydrophobicContact CD2-CG1 4.3Å; L82-V101 HydrophobicContact CD2-CG2 3.93Å; L82-V101 HydrophobicContact CG-CG2 4.46Å | ||
| 83 | K | 92.6 | Very high | 86.7 | Confident | 166 Ų | 166 | 81.4 Ų | 81.4 | 72% | 0.722 | 43% | 0.431 | S | S | * | . | trans | -135.1 | 145.5 | 175.3 | -65 | -175.4 | -179.3 | -178.8 | 0 | 108.9 | S81 V101 | S81-K83 PolarHBondContact O-N 3.05Å; K83-V101 WeakPolarHBondContact O-CG2 3.47Å | ||
| 84 | L | 95.3 | Very high | 87.1 | Confident | 41 Ų | 41 | 81.4 Ų | 81.4 | 22% | 0.215 | 43% | 0.432 | C | S | . | . | trans | -62.3 | 148.2 | 168.6 | -69.2 | 169 | 0 | 0 | 0 | 109.7 | V88 V90 L97 Q100 V101 S104 F159 | L84-V88 HydrophobicContact CB-CB 4.27Å; L84-V88 HydrophobicContact CB-CG1 4.45Å; L84-V88 HydrophobicContact CD1-CG1 4.3Å; L84-V88 HydrophobicContact CD2-CG1 4.27Å; L84-V90 HydrophobicContact CD1-CG2 3.34Å; L84-L97 HydrophobicContact CG-CD1 4.12Å; L84-Q100 HydrophobicContact CD2-CB 3.92Å; L84-V101 HydrophobicContact CD2-CG2 3.87Å; L84-V101 HydrophobicContact CG-CG2 4.28Å; L84-S104 WeakPolarHBondContact CD2-OG 3.46Å; L84-F159 HydrophobicContact CD2-CZ 4.45Å | ||
| 85 | H | 95.6 | Very high | 87.5 | Confident | 72 Ų | 72 | 78.8 Ų | 78.8 | 33% | 0.333 | 42% | 0.416 | S | S | . | . | trans | -58 | 141.2 | 172.8 | -177.1 | -82.2 | 0 | 0 | 0 | 109.7 | D87 V88 I108 | H85-D87 IonicContact CE1-OD1 3.8Å; H85-D87 IonicContact CE1-OD2 2.67Å; H85-D87 WeakPolarHBondContact ND1-CB 3.32Å; H85-D87 PolarHBondContact ND1-N 2.79Å; H85-D87 VanDerWaalsContact ND1-N 3.15Å; H85-D87 PolarHBondContact O-N 3.27Å; H85-V88 HydrophobicContact CB-CG2 3.96Å; H85-V88 VanDerWaalsContact O-CB 3.31Å; H85-V88 WeakPolarHBondContact O-CB 3.42Å; H85-V88 PolarHBondContact O-N 3.4Å; H85-I108 HydrophobicContact CB-CD1 3.71Å | ||
| 86 | P | 95 | Very high | 88.1 | Confident | 118 Ų | 118 | 75 Ų | 75 | 77% | 0.766 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -31 | -175.2 | -28.9 | 35.5 | 0 | 0 | 0 | 115.3 | V88 | P86-V88 PolarHBondContact O-N 3.42Š|
| 87 | D | 95.4 | Very high | 88.9 | Confident | 61 Ų | 61 | 74.6 Ų | 74.6 | 33% | 0.326 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -7.2 | 177.5 | -68.1 | 9.1 | 0 | 0 | 0 | 114.1 | H85 V163 R164 | H85-D87 IonicContact CE1-OD1 3.8Å; H85-D87 IonicContact CE1-OD2 2.67Å; H85-D87 WeakPolarHBondContact ND1-CB 3.32Å; H85-D87 PolarHBondContact ND1-N 2.79Å; H85-D87 VanDerWaalsContact ND1-N 3.15Å; H85-D87 PolarHBondContact O-N 3.27Å; D87-V163 HydrophobicContact CB-CG1 4.32Å; D87-R164 IonicContact OD2-NE 3.95Å; D87-R164 IonicContact OD2-NH2 3.38Å |
| 88 | V | 97.7 | Very high | 89.8 | Confident | 15 Ų | 15 | 73.7 Ų | 73.7 | 9% | 0.091 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 118.1 | -177.7 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | L84 H85 P86 I108 F161 R162 V163 | L84-V88 HydrophobicContact CB-CB 4.27Å; L84-V88 HydrophobicContact CB-CG1 4.45Å; L84-V88 HydrophobicContact CD1-CG1 4.3Å; L84-V88 HydrophobicContact CD2-CG1 4.27Å; H85-V88 HydrophobicContact CB-CG2 3.96Å; H85-V88 VanDerWaalsContact O-CB 3.31Å; H85-V88 WeakPolarHBondContact O-CB 3.42Å; H85-V88 PolarHBondContact O-N 3.4Å; P86-V88 PolarHBondContact O-N 3.42Å; V88-I108 HydrophobicContact CG2-CD1 3.87Å; V88-F161 HydrophobicContact CG1-CB 4.07Å; V88-F161 HydrophobicContact CG1-CD2 4.05Å; V88-F161 HydrophobicContact CG1-CG 4.37Å; V88-R162 WeakPolarHBondContact CA-O 3.43Å; V88-V163 HydrophobicContact CG2-CG2 4.19Å |
| 89 | V | 97.6 | Very high | 90.9 | Very high | 90 Ų | 90 | 71.5 Ų | 71.5 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 114.9 | 170.6 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | F161 R162 | V89-F161 CarbonylContact O-C 3.5Å; V89-F161 VanDerWaalsContact O-CA 3.28Å; V89-F161 WeakPolarHBondContact O-CA 3.09Å; V89-R162 HydrophobicContact CB-CB 4.26Å; V89-R162 PolarHBondContact N-O 3.48Å; V89-R162 PolarHBondContact O-N 2.85Å |
| 90 | V | 97.7 | Very high | 92.2 | Very high | 53 Ų | 53 | 69.2 Ų | 69.2 | 32% | 0.321 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 130.5 | 176.2 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | L84 E93 F159 | L84-V90 HydrophobicContact CD1-CG2 3.34Å; V90-E93 HydrophobicContact CG1-CB 4.08Å; V90-E93 HydrophobicContact CG1-CG 4.13Å; V90-F159 HydrophobicContact CG1-CE2 4.11Å; V90-F159 HydrophobicContact CG2-CE2 4.03Å; V90-F159 HydrophobicContact CG2-CZ 4.46Å |
| 91 | I | 97 | Very high | 93.5 | Very high | 78 Ų | 78 | 66.3 Ų | 66.3 | 40% | 0.4 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -43.9 | 174.3 | -59.8 | 174.4 | 0 | 0 | 0 | 109.7 | F147 I160 R162 | I91-F147 HydrophobicContact CD1-CE1 4.07Å; I91-F147 HydrophobicContact CD1-CZ 4.05Å; I91-F147 HydrophobicContact CG2-CZ 4.47Å; I91-I160 WeakPolarHBondContact CA-O 3.32Å; I91-I160 HydrophobicContact CB-CB 4.19Å; I91-I160 HydrophobicContact CB-CG2 3.83Å; I91-I160 HydrophobicContact CD1-CG2 4.03Å; I91-I160 HydrophobicContact CG1-CG2 4.43Å; I91-I160 HydrophobicContact CG2-CG2 4.11Å; I91-I160 PolarHBondContact N-O 2.98Å; I91-R162 HydrophobicContact CD1-CB 4.27Å |
| 92 | Y | 96.3 | Very high | 94.4 | Very high | 93 Ų | 93 | 63.9 Ų | 63.9 | 37% | 0.365 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 141.3 | 177.9 | 178.4 | -103.7 | 0 | 0 | 0 | 110.3 | Q94 C158 I160 | Y92-Q94 HydrophobicContact CE1-CG 3.91Å; Y92-Q94 PolarHBondContact OH-NE2 3.48Å; Y92-C158 HydrophobicContact CD1-CB 4.46Å; Y92-C158 HydrophobicContact CE1-CB 4.06Å; Y92-I160 HydrophobicContact CD1-CD1 4.45Å; Y92-I160 HydrophobicContact CD1-CG1 4.47Å; Y92-I160 PolarHBondContact N-O 3.09Å; Y92-I160 PolarHBondContact O-N 3.45Å; Y92-I160 VanDerWaalsContact O-O 3.12Å |
| 93 | E | 94.6 | Very high | 95 | Very high | 92 Ų | 92 | 61.2 Ų | 61.2 | 43% | 0.43 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 144.6 | 179.9 | 61.8 | 170.5 | -127.3 | 0 | 0 | 112.7 | V90 Q100 F159 | V90-E93 HydrophobicContact CG1-CB 4.08Å; V90-E93 HydrophobicContact CG1-CG 4.13Å; E93-Q100 PolarHBondContact OE1-NE2 3.28Å; E93-Q100 VanDerWaalsContact OE1-NE2 3.12Å; E93-Q100 PolarHBondContact OE2-NE2 3.34Å; E93-Q100 PolarHBondContact OE2-OE1 3.04Å; E93-F159 HydrophobicContact CB-CD2 4Å; E93-F159 HydrophobicContact CB-CE2 4.43Å |
| 94 | Q | 92.7 | Very high | 95.2 | Very high | 62 Ų | 62 | 53.3 Ų | 53.3 | 29% | 0.29 | 29% | 0.285 | S | S | . | . | trans | -137.5 | 0.2 | 161.7 | -59.5 | -171.2 | -28.8 | 0 | 0 | 112.3 | Y92 H153 N156 C158 | Y92-Q94 HydrophobicContact CE1-CG 3.91Å; Y92-Q94 PolarHBondContact OH-NE2 3.48Å; Q94-H153 PolarHBondContact OE1-CE1 3.29Å; Q94-N156 CarbonylContact O-C 3.59Å; Q94-N156 VanDerWaalsContact O-CA 3.26Å; Q94-N156 WeakPolarHBondContact O-CA 3.23Å; Q94-C158 PolarHBondContact N-O 3.22Å | ||
| 95 | L | 91.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -80.6 | 146.6 | 174.4 | -80.8 | 165.5 | 0 | 0 | 0 | 109.9 | R99 Q100 I103 W138 N156 K157 C158 F159 | L95-R99 HydrophobicContact CB-CB 4.33Å; L95-R99 HydrophobicContact CD2-CB 4.18Å; L95-Q100 HydrophobicContact CB-CG 4.06Å; L95-Q100 PolarHBondContact O-NE2 3.32Å; L95-I103 HydrophobicContact CD1-CD1 3.51Å; L95-W138 HydrophobicContact CD1-CH2 4.1Å; L95-W138 HydrophobicContact CD1-CZ3 4.32Å; L95-W138 HydrophobicContact CD2-CH2 4.23Å; L95-N156 WeakPolarHBondContact CD2-O 3.36Å; L95-K157 HydrophobicContact CD2-CD 4.45Å; L95-C158 PolarHBondContact N-O 3.45Å; L95-F159 HydrophobicContact CD1-CB 3.55Å; L95-F159 HydrophobicContact CD1-CG 4.45Å; L95-F159 HydrophobicContact CG-CB 4.42Å |
| 96 | P | 90.7 | Very high | 95.4 | Very high | 58 Ų | 58 | 53.2 Ų | 53.2 | 38% | 0.377 | 29% | 0.285 | S | S | . | . | trans | -63.8 | 151 | 170.3 | 30.4 | -36 | 0 | 0 | 0 | 110.7 | D98 R99 Q100 | P96-D98 VanDerWaalsContact CB-OD1 3.23Å; P96-D98 WeakPolarHBondContact CB-OD1 3.28Å; P96-D98 VanDerWaalsContact CG-OD1 3.28Å; P96-D98 WeakPolarHBondContact CG-OD1 3.46Å; P96-D98 PolarHBondContact O-N 2.95Å; P96-D98 VanDerWaalsContact O-N 3.14Å; P96-R99 HydrophobicContact CG-CB 4.34Å; P96-R99 HydrophobicContact CG-CG 4.03Å; P96-R99 PolarHBondContact O-N 3.09Å; P96-Q100 PolarHBondContact O-N 3.1Å; P96-Q100 VanDerWaalsContact O-N 3.1Å | ||
| 97 | L | 91.4 | Very high | 95.4 | Very high | 71 Ų | 71 | 47.6 Ų | 47.6 | 37% | 0.372 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -55.1 | -35.5 | -170.3 | -179 | 60.9 | 0 | 0 | 0 | 113.5 | L82 L84 R99 Q100 V101 | L82-L97 HydrophobicContact CB-CD2 4.42Å; L82-L97 WeakPolarHBondContact O-CD2 3.3Å; L84-L97 HydrophobicContact CG-CD1 4.12Å; L97-R99 VanDerWaalsContact C-N 3.31Å; L97-R99 PolarHBondContact O-N 3.03Å; L97-Q100 PolarHBondContact O-N 2.86Å; L97-V101 HydrophobicContact CD1-CG2 4.16Å; L97-V101 HydrophobicContact CG-CG2 4.35Å; L97-V101 VanDerWaalsContact O-CG2 3.32Å; L97-V101 WeakPolarHBondContact O-CG2 2.86Å; L97-V101 PolarHBondContact O-N 3.29Å |
| 98 | D | 91 | Very high | 95.4 | Very high | 87 Ų | 87 | 46 Ų | 46 | 47% | 0.465 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.2 | -42.6 | 175.7 | 66.8 | -49.3 | 0 | 0 | 0 | 113.2 | L82 P96 A102 | L82-D98 HydrophobicContact CD2-CB 3.83Å; P96-D98 VanDerWaalsContact CB-OD1 3.23Å; P96-D98 WeakPolarHBondContact CB-OD1 3.28Å; P96-D98 VanDerWaalsContact CG-OD1 3.28Å; P96-D98 WeakPolarHBondContact CG-OD1 3.46Å; P96-D98 PolarHBondContact O-N 2.95Å; P96-D98 VanDerWaalsContact O-N 3.14Å; D98-A102 WeakPolarHBondContact O-CB 3.22Å; D98-A102 PolarHBondContact O-N 2.93Å |
| 99 | R | 94.2 | Very high | 95.2 | Very high | 71 Ų | 71 | 50 Ų | 50 | 27% | 0.268 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -73.7 | -37.1 | 176.3 | -64.5 | -174.1 | -177.3 | 162.3 | 1.7 | 111.5 | L95 P96 L97 V101 A102 I103 Y134 | L95-R99 HydrophobicContact CB-CB 4.33Å; L95-R99 HydrophobicContact CD2-CB 4.18Å; P96-R99 HydrophobicContact CG-CB 4.34Å; P96-R99 HydrophobicContact CG-CG 4.03Å; P96-R99 PolarHBondContact O-N 3.09Å; L97-R99 VanDerWaalsContact C-N 3.31Å; L97-R99 PolarHBondContact O-N 3.03Å; R99-V101 VanDerWaalsContact C-N 3.34Å; R99-V101 PolarHBondContact O-N 3.07Å; R99-A102 PolarHBondContact O-N 2.94Å; R99-I103 HydrophobicContact CB-CD1 4.44Å; R99-I103 VanDerWaalsContact O-CB 3.29Å; R99-I103 WeakPolarHBondContact O-CB 3.32Å; R99-I103 WeakPolarHBondContact O-CD1 3.35Å; R99-I103 WeakPolarHBondContact O-CG1 3.27Å; R99-I103 PolarHBondContact O-N 2.83Å; R99-Y134 HydrophobicContact CG-CE1 4.15Å |
| 100 | Q | 96.9 | Very high | 95 | Very high | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 174.9 | -58.7 | 174.8 | 24.8 | 0 | 0 | 111.6 | L84 E93 L95 P96 L97 I103 S104 F159 | L84-Q100 HydrophobicContact CD2-CB 3.92Å; E93-Q100 PolarHBondContact OE1-NE2 3.28Å; E93-Q100 VanDerWaalsContact OE1-NE2 3.12Å; E93-Q100 PolarHBondContact OE2-NE2 3.34Å; E93-Q100 PolarHBondContact OE2-OE1 3.04Å; L95-Q100 HydrophobicContact CB-CG 4.06Å; L95-Q100 PolarHBondContact O-NE2 3.32Å; P96-Q100 PolarHBondContact O-N 3.1Å; P96-Q100 VanDerWaalsContact O-N 3.1Å; L97-Q100 PolarHBondContact O-N 2.86Å; Q100-I103 PolarHBondContact O-N 3.35Å; Q100-S104 VanDerWaalsContact O-CB 3.3Å; Q100-S104 WeakPolarHBondContact O-CB 3.39Å; Q100-S104 PolarHBondContact O-N 2.95Å; Q100-S104 PolarHBondContact O-OG 3.13Å; Q100-F159 HydrophobicContact CB-CD1 4.38Å; Q100-F159 HydrophobicContact CB-CE1 3.86Å; Q100-F159 HydrophobicContact CB-CE2 4.09Å; Q100-F159 HydrophobicContact CB-CZ 3.71Å; Q100-F159 HydrophobicContact CG-CD1 4.49Å; Q100-F159 HydrophobicContact CG-CD2 4.12Å; Q100-F159 HydrophobicContact CG-CE1 4.37Å; Q100-F159 HydrophobicContact CG-CE2 3.97Å; Q100-F159 HydrophobicContact CG-CG 4.39Å; Q100-F159 HydrophobicContact CG-CZ 4.11Å; Q100-F159 WeakPolarHBondContact O-CE1 3.45Å |
| 101 | V | 96.2 | Very high | 94.6 | Very high | 17 Ų | 17 | 45 Ų | 45 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.6 | -48.4 | 176 | 172 | 0 | 0 | 0 | 0 | 110.6 | L82 K83 L84 L97 R99 I103 S104 N105 | L82-V101 HydrophobicContact CD2-CB 3.96Å; L82-V101 HydrophobicContact CD2-CG1 4.3Å; L82-V101 HydrophobicContact CD2-CG2 3.93Å; L82-V101 HydrophobicContact CG-CG2 4.46Å; K83-V101 WeakPolarHBondContact O-CG2 3.47Å; L84-V101 HydrophobicContact CD2-CG2 3.87Å; L84-V101 HydrophobicContact CG-CG2 4.28Å; L97-V101 HydrophobicContact CD1-CG2 4.16Å; L97-V101 HydrophobicContact CG-CG2 4.35Å; L97-V101 VanDerWaalsContact O-CG2 3.32Å; L97-V101 WeakPolarHBondContact O-CG2 2.86Å; L97-V101 PolarHBondContact O-N 3.29Å; R99-V101 VanDerWaalsContact C-N 3.34Å; R99-V101 PolarHBondContact O-N 3.07Å; V101-I103 PolarHBondContact O-N 3.22Å; V101-S104 PolarHBondContact O-OG 2.95Å; V101-N105 VanDerWaalsContact O-CB 3.23Å; V101-N105 WeakPolarHBondContact O-CB 3.46Å; V101-N105 PolarHBondContact O-N 3.24Å; V101-N105 PolarHBondContact O-ND2 3.18Å |
| 102 | A | 96.6 | Very high | 94.2 | Very high | 33 Ų | 33 | 45.6 Ų | 45.6 | 27% | 0.273 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.6 | -46.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D98 R99 K106 W129 | D98-A102 WeakPolarHBondContact O-CB 3.22Å; D98-A102 PolarHBondContact O-N 2.93Å; R99-A102 PolarHBondContact O-N 2.94Å; A102-K106 WeakPolarHBondContact O-CB 3.4Å; A102-K106 PolarHBondContact O-N 2.98Å; A102-W129 HydrophobicContact CB-CH2 4.28Å |
| 103 | I | 97.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.5 | -46.4 | -177.3 | -65.8 | 169.6 | 0 | 0 | 0 | 111.2 | L95 R99 Q100 V101 K106 A107 W129 L130 Y134 F159 F161 | L95-I103 HydrophobicContact CD1-CD1 3.51Å; R99-I103 HydrophobicContact CB-CD1 4.44Å; R99-I103 VanDerWaalsContact O-CB 3.29Å; R99-I103 WeakPolarHBondContact O-CB 3.32Å; R99-I103 WeakPolarHBondContact O-CD1 3.35Å; R99-I103 WeakPolarHBondContact O-CG1 3.27Å; R99-I103 PolarHBondContact O-N 2.83Å; Q100-I103 PolarHBondContact O-N 3.35Å; V101-I103 PolarHBondContact O-N 3.22Å; I103-K106 PolarHBondContact O-N 3.33Å; I103-A107 PolarHBondContact O-N 3.08Å; I103-W129 HydrophobicContact CG1-CZ3 4.06Å; I103-L130 HydrophobicContact CD1-CD2 3.73Å; I103-L130 HydrophobicContact CG1-CD2 3.7Å; I103-Y134 HydrophobicContact CD1-CE2 4.27Å; I103-Y134 HydrophobicContact CG1-CE2 4.09Å; I103-F159 HydrophobicContact CB-CD1 4.37Å; I103-F159 HydrophobicContact CG2-CD1 4.16Å; I103-F161 HydrophobicContact CG2-CE1 4.12Å; I103-F161 HydrophobicContact CG2-CZ 4.41Å |
| 104 | S | 97.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.7 | -39.6 | 179.7 | 57.6 | 0 | 0 | 0 | 0 | 112.1 | L84 Q100 V101 K106 A107 I108 | L84-S104 WeakPolarHBondContact CD2-OG 3.46Å; Q100-S104 VanDerWaalsContact O-CB 3.3Å; Q100-S104 WeakPolarHBondContact O-CB 3.39Å; Q100-S104 PolarHBondContact O-N 2.95Å; Q100-S104 PolarHBondContact O-OG 3.13Å; V101-S104 PolarHBondContact O-OG 2.95Å; S104-K106 VanDerWaalsContact C-N 3.33Å; S104-K106 PolarHBondContact O-N 3.49Å; S104-A107 PolarHBondContact O-N 3.06Å; S104-I108 WeakPolarHBondContact O-CG1 3.34Å; S104-I108 PolarHBondContact O-N 3.31Å |
| 105 | N | 97.1 | Very high | 91.6 | Very high | 69 Ų | 69 | 51.6 Ų | 51.6 | 37% | 0.369 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 173 | -74.3 | -16.7 | 0 | 0 | 0 | 111.7 | V101 A107 I108 E109 | V101-N105 VanDerWaalsContact O-CB 3.23Å; V101-N105 WeakPolarHBondContact O-CB 3.46Å; V101-N105 PolarHBondContact O-N 3.24Å; V101-N105 PolarHBondContact O-ND2 3.18Å; N105-A107 VanDerWaalsContact C-N 3.33Å; N105-A107 PolarHBondContact O-N 2.93Å; N105-I108 PolarHBondContact O-N 3.24Å; N105-E109 WeakPolarHBondContact O-CB 3.44Å; N105-E109 PolarHBondContact O-N 3.26Å |
| 106 | K | 97.2 | Very high | 90.8 | Very high | 42 Ų | 42 | 59.8 Ų | 59.8 | 18% | 0.183 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | 175.5 | -170.8 | 65 | -174.5 | 171.4 | 0 | 111.9 | A102 I103 S104 E109 L110 L126 W129 | A102-K106 WeakPolarHBondContact O-CB 3.4Å; A102-K106 PolarHBondContact O-N 2.98Å; I103-K106 PolarHBondContact O-N 3.33Å; S104-K106 VanDerWaalsContact C-N 3.33Å; S104-K106 PolarHBondContact O-N 3.49Å; K106-E109 VanDerWaalsContact CD-OE2 3.3Å; K106-E109 WeakPolarHBondContact CD-OE2 3.4Å; K106-E109 IonicContact NZ-OE1 2.83Å; K106-E109 PolarHBondContact NZ-OE1 2.81Å; K106-E109 IonicContact NZ-OE2 2.76Å; K106-E109 PolarHBondContact NZ-OE2 3.21Å; K106-E109 PolarHBondContact O-N 3.5Å; K106-L110 HydrophobicContact CG-CD1 4.41Å; K106-L110 WeakPolarHBondContact O-CG 3.4Å; K106-L110 PolarHBondContact O-N 2.99Å; K106-L126 HydrophobicContact CB-CD1 4.22Å; K106-L126 HydrophobicContact CG-CD1 3.96Å; K106-W129 HydrophobicContact CB-CD2 4.45Å; K106-W129 HydrophobicContact CB-CE3 4.18Å; K106-W129 HydrophobicContact CB-CH2 4.24Å; K106-W129 HydrophobicContact CB-CZ3 4.06Å; K106-W129 HydrophobicContact CD-CD2 4.24Å; K106-W129 HydrophobicContact CD-CG 4.36Å; K106-W129 HydrophobicContact CG-CD2 3.78Å; K106-W129 HydrophobicContact CG-CE3 3.83Å; K106-W129 HydrophobicContact CG-CG 4.19Å; K106-W129 HydrophobicContact CG-CZ3 4.24Å |
| 107 | A | 96.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I103 S104 N105 L110 L111 L126 F161 Y168 | I103-A107 PolarHBondContact O-N 3.08Å; S104-A107 PolarHBondContact O-N 3.06Å; N105-A107 VanDerWaalsContact C-N 3.33Å; N105-A107 PolarHBondContact O-N 2.93Å; A107-L110 PolarHBondContact O-N 2.92Å; A107-L111 VanDerWaalsContact O-CB 3.27Å; A107-L111 WeakPolarHBondContact O-CB 3.47Å; A107-L111 PolarHBondContact O-N 3.39Å; A107-L126 HydrophobicContact CB-CD2 4.32Å; A107-F161 HydrophobicContact CB-CE2 3.94Å; A107-F161 HydrophobicContact CB-CZ 3.72Å; A107-Y168 HydrophobicContact CB-CD1 4.17Å; A107-Y168 HydrophobicContact CB-CE1 3.88Å; A107-Y168 HydrophobicContact CB-CE2 4.33Å |
| 108 | I | 95.3 | Very high | 89.5 | Confident | 27 Ų | 27 | 59.9 Ų | 59.9 | 14% | 0.138 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.9 | -43 | 174.9 | -68.4 | 164.4 | 0 | 0 | 0 | 111.4 | H85 V88 S104 N105 L110 L111 T112 V163 | H85-I108 HydrophobicContact CB-CD1 3.71Å; V88-I108 HydrophobicContact CG2-CD1 3.87Å; S104-I108 WeakPolarHBondContact O-CG1 3.34Å; S104-I108 PolarHBondContact O-N 3.31Å; N105-I108 PolarHBondContact O-N 3.24Å; I108-L110 VanDerWaalsContact C-N 3.35Å; I108-L110 PolarHBondContact O-N 3.45Å; I108-L111 WeakPolarHBondContact O-CB 3.43Å; I108-L111 PolarHBondContact O-N 3.39Å; I108-T112 HydrophobicContact CG2-CG2 4.43Å; I108-T112 WeakPolarHBondContact O-CB 3.07Å; I108-T112 WeakPolarHBondContact O-CG2 3.43Å; I108-T112 PolarHBondContact O-N 2.96Å; I108-T112 PolarHBondContact O-OG1 3.22Å; I108-V163 HydrophobicContact CD1-CG2 4.46Å; I108-V163 HydrophobicContact CG1-CG1 3.92Å; I108-V163 HydrophobicContact CG1-CG2 3.99Å |
| 109 | E | 94.2 | Very high | 89.3 | Confident | 99 Ų | 99 | 59.2 Ų | 59.2 | 46% | 0.463 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 176 | -173.7 | -158.7 | 137.6 | 0 | 0 | 110.8 | N105 K106 L111 T112 S113 | N105-E109 WeakPolarHBondContact O-CB 3.44Å; N105-E109 PolarHBondContact O-N 3.26Å; K106-E109 VanDerWaalsContact CD-OE2 3.3Å; K106-E109 WeakPolarHBondContact CD-OE2 3.4Å; K106-E109 IonicContact NZ-OE1 2.83Å; K106-E109 PolarHBondContact NZ-OE1 2.81Å; K106-E109 IonicContact NZ-OE2 2.76Å; K106-E109 PolarHBondContact NZ-OE2 3.21Å; K106-E109 PolarHBondContact O-N 3.5Å; E109-L111 PolarHBondContact O-N 3.32Å; E109-T112 PolarHBondContact O-N 3Å; E109-T112 PolarHBondContact O-OG1 3.04Å; E109-S113 WeakPolarHBondContact O-CB 3.46Å; E109-S113 PolarHBondContact O-N 2.89Å; E109-S113 PolarHBondContact O-OG 3.37Å |
| 110 | L | 92.9 | Very high | 89 | Confident | 7 Ų | 7 | 63.6 Ų | 63.6 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.2 | -37.3 | 177.4 | -67.6 | 174.2 | 0 | 0 | 0 | 112.3 | K106 A107 I108 T112 S113 Q122 Q125 L126 | K106-L110 HydrophobicContact CG-CD1 4.41Å; K106-L110 WeakPolarHBondContact O-CG 3.4Å; K106-L110 PolarHBondContact O-N 2.99Å; A107-L110 PolarHBondContact O-N 2.92Å; I108-L110 VanDerWaalsContact C-N 3.35Å; I108-L110 PolarHBondContact O-N 3.45Å; L110-T112 VanDerWaalsContact C-N 3.28Å; L110-T112 PolarHBondContact O-N 3.46Å; L110-S113 PolarHBondContact O-OG 3.43Å; L110-Q122 HydrophobicContact CB-CG 4.22Å; L110-Q122 PolarHBondContact O-NE2 2.83Å; L110-Q125 HydrophobicContact CD1-CB 4.07Å; L110-Q125 HydrophobicContact CD2-CB 4Å; L110-L126 HydrophobicContact CD1-CB 3.83Å; L110-L126 HydrophobicContact CD1-CD1 4.35Å |
| 111 | L | 89.3 | Confident | 88.8 | Confident | 31 Ų | 31 | 67.1 Ų | 67.1 | 16% | 0.162 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.1 | -33.8 | 175.3 | 176.8 | 63.2 | 0 | 0 | 0 | 112.6 | A107 I108 E109 F117 Q122 V163 | A107-L111 VanDerWaalsContact O-CB 3.27Å; A107-L111 WeakPolarHBondContact O-CB 3.47Å; A107-L111 PolarHBondContact O-N 3.39Å; I108-L111 WeakPolarHBondContact O-CB 3.43Å; I108-L111 PolarHBondContact O-N 3.39Å; E109-L111 PolarHBondContact O-N 3.32Å; L111-F117 HydrophobicContact CD1-CD2 3.48Å; L111-F117 VanDerWaalsContact CD1-CD2 3.48Å; L111-F117 HydrophobicContact CD1-CE2 3.1Å; L111-F117 HydrophobicContact CD1-CZ 3.96Å; L111-F117 HydrophobicContact CG-CE2 4.37Å; L111-Q122 VanDerWaalsContact CA-NE2 3.34Å; L111-V163 HydrophobicContact CD2-CB 4.39Å; L111-V163 HydrophobicContact CD2-CG1 3.74Å |
| 112 | T | 88.5 | Confident | 88.7 | Confident | 91 Ų | 91 | 66.6 Ų | 66.6 | 56% | 0.558 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -98.8 | -18.8 | -172.6 | 52.8 | 0 | 0 | 0 | 0 | 114.4 | I108 E109 L110 | I108-T112 HydrophobicContact CG2-CG2 4.43Å; I108-T112 WeakPolarHBondContact O-CB 3.07Å; I108-T112 WeakPolarHBondContact O-CG2 3.43Å; I108-T112 PolarHBondContact O-N 2.96Å; I108-T112 PolarHBondContact O-OG1 3.22Å; E109-T112 PolarHBondContact O-N 3Å; E109-T112 PolarHBondContact O-OG1 3.04Å; L110-T112 VanDerWaalsContact C-N 3.28Å; L110-T112 PolarHBondContact O-N 3.46Å |
| 113 | S | 84.1 | Confident | 88.7 | Confident | 84 Ų | 84 | 66 Ų | 66 | 59% | 0.587 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -75.4 | -24.5 | -174.4 | 60.2 | 0 | 0 | 0 | 0 | 114.8 | E109 L110 | E109-S113 WeakPolarHBondContact O-CB 3.46Å; E109-S113 PolarHBondContact O-N 2.89Å; E109-S113 PolarHBondContact O-OG 3.37Å; L110-S113 PolarHBondContact O-OG 3.43Å |
| 114 | S | 71.9 | Confident | 88.6 | Confident | 63 Ų | 63 | 69.1 Ų | 69.1 | 44% | 0.441 | 35% | 0.352 | S | S | . | . | trans | -101.7 | 134 | -177.8 | -172.7 | 0 | 0 | 0 | 0 | 113 | K116 | S114-K116 WeakPolarHBondContact CB-O 3.25Å; S114-K116 PolarHBondContact O-N 3.01Å; S114-K116 PolarHBondContact OG-N 3.5Å; S114-K116 PolarHBondContact OG-O 3.34Å | ||
| 115 | K | 72.8 | Confident | 88.5 | Confident | 226 Ų | 226 | 72.7 Ų | 72.7 | 98% | 0.983 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -61.5 | -28.6 | 170.3 | -81.5 | -174.5 | 177.6 | 179.3 | 0 | 112.7 | ||
| 116 | K | 74 | Confident | 88.5 | Confident | 177 Ų | 177 | 69.4 Ų | 69.4 | 77% | 0.77 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -125.3 | 111.3 | 176.8 | -168 | 178 | -179.3 | -176.3 | 0 | 107.9 | S114 D118 | S114-K116 WeakPolarHBondContact CB-O 3.25Å; S114-K116 PolarHBondContact O-N 3.01Å; S114-K116 PolarHBondContact OG-N 3.5Å; S114-K116 PolarHBondContact OG-O 3.34Å; K116-D118 PolarHBondContact O-N 3.35Å |
| 117 | F | 69.8 | Low | 88.5 | Confident | 48 Ų | 48 | 70.7 Ų | 70.7 | 21% | 0.211 | 36% | 0.357 | C | S | . | . | trans | -60.6 | 118.3 | 177 | -173.7 | -105.5 | 0 | 0 | 0 | 109.7 | L111 E119 K144 V166 | L111-F117 HydrophobicContact CD1-CD2 3.48Å; L111-F117 VanDerWaalsContact CD1-CD2 3.48Å; L111-F117 HydrophobicContact CD1-CE2 3.1Å; L111-F117 HydrophobicContact CD1-CZ 3.96Å; L111-F117 HydrophobicContact CG-CE2 4.37Å; F117-E119 VanDerWaalsContact CD1-CD 3.46Å; F117-E119 HydrophobicContact CD1-CG 4.04Å; F117-E119 VanDerWaalsContact CD1-OE1 3.28Å; F117-E119 WeakPolarHBondContact CD1-OE1 3.44Å; F117-E119 HydrophobicContact CE1-CB 4.44Å; F117-E119 HydrophobicContact CE1-CG 3.43Å; F117-E119 VanDerWaalsContact CE1-CG 3.43Å; F117-E119 WeakPolarHBondContact CE1-OE1 3.26Å; F117-E119 HydrophobicContact CZ-CG 4.22Å; F117-K144 VanDerWaalsContact CE1-CE 3.5Å; F117-V166 HydrophobicContact CE1-CG2 4.46Å; F117-V166 HydrophobicContact CZ-CG1 4.28Å; F117-V166 HydrophobicContact CZ-CG2 4.1Å | ||
| 118 | D | 85.4 | Confident | 88.6 | Confident | 83 Ų | 83 | 76 Ų | 76 | 44% | 0.444 | 38% | 0.382 | S | S | . | . | trans | -117.3 | 102.1 | 172.3 | -176.4 | -22.6 | 0 | 0 | 0 | 107.8 | K116 K120 D121 Q122 | K116-D118 PolarHBondContact O-N 3.35Å; D118-K120 PolarHBondContact O-N 2.88Å; D118-K120 WeakPolarHBondContact OD1-CB 3.33Å; D118-K120 PolarHBondContact OD1-N 2.96Å; D118-D121 HydrophobicContact CB-CB 4.04Å; D118-D121 PolarHBondContact O-N 3.45Å; D118-D121 PolarHBondContact OD1-N 2.93Å; D118-Q122 WeakPolarHBondContact O-CG 3.18Å; D118-Q122 PolarHBondContact O-N 3.35Å; D118-Q122 VanDerWaalsContact O-N 3.1Å | ||
| 119 | E | 86.2 | Confident | 88.7 | Confident | 72 Ų | 72 | 77.9 Ų | 77.9 | 34% | 0.336 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -54.2 | -38.4 | 179.9 | -70.7 | 79.3 | 177.3 | 0 | 0 | 112.2 | F117 A123 I142 K144 | F117-E119 VanDerWaalsContact CD1-CD 3.46Å; F117-E119 HydrophobicContact CD1-CG 4.04Å; F117-E119 VanDerWaalsContact CD1-OE1 3.28Å; F117-E119 WeakPolarHBondContact CD1-OE1 3.44Å; F117-E119 HydrophobicContact CE1-CB 4.44Å; F117-E119 HydrophobicContact CE1-CG 3.43Å; F117-E119 VanDerWaalsContact CE1-CG 3.43Å; F117-E119 WeakPolarHBondContact CE1-OE1 3.26Å; F117-E119 HydrophobicContact CZ-CG 4.22Å; E119-A123 WeakPolarHBondContact O-CB 3.41Å; E119-A123 PolarHBondContact O-N 3.45Å; E119-I142 HydrophobicContact CG-CG2 4.43Å; E119-K144 WeakPolarHBondContact OE1-CE 3.45Å; E119-K144 IonicContact OE1-NZ 2.71Å; E119-K144 PolarHBondContact OE1-NZ 2.75Å |
| 120 | K | 89.6 | Confident | 88.9 | Confident | 163 Ų | 163 | 73.1 Ų | 73.1 | 71% | 0.709 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -70.3 | -47.2 | -174.9 | -179.5 | -174.5 | 174.8 | -175 | 0 | 110 | D118 Q122 A123 V124 | D118-K120 PolarHBondContact O-N 2.88Å; D118-K120 WeakPolarHBondContact OD1-CB 3.33Å; D118-K120 PolarHBondContact OD1-N 2.96Å; K120-Q122 VanDerWaalsContact C-N 3.33Å; K120-Q122 PolarHBondContact O-N 2.72Å; K120-A123 PolarHBondContact O-N 3.5Å; K120-V124 WeakPolarHBondContact O-CG2 3.49Å; K120-V124 PolarHBondContact O-N 3.03Å; K120-V124 VanDerWaalsContact O-N 3.15Å |
| 121 | D | 91.9 | Very high | 89.1 | Confident | 78 Ų | 78 | 73.9 Ų | 73.9 | 42% | 0.417 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 179.3 | -172.2 | 54 | 0 | 0 | 0 | 111.2 | D118 A123 V124 Q125 | D118-D121 HydrophobicContact CB-CB 4.04Å; D118-D121 PolarHBondContact O-N 3.45Å; D118-D121 PolarHBondContact OD1-N 2.93Å; D121-A123 PolarHBondContact O-N 3.46Å; D121-V124 PolarHBondContact O-N 2.8Å; D121-Q125 WeakPolarHBondContact O-CG 3.1Å; D121-Q125 PolarHBondContact O-N 2.91Å; D121-Q125 PolarHBondContact OD2-NE2 2.74Å |
| 122 | Q | 93.9 | Very high | 89.4 | Confident | 6 Ų | 6 | 79.2 Ų | 79.2 | 3% | 0.028 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 175.6 | -72.5 | -170.4 | 8.9 | 0 | 0 | 113.7 | L110 L111 D118 K120 V124 Q125 L126 I142 | L110-Q122 HydrophobicContact CB-CG 4.22Å; L110-Q122 PolarHBondContact O-NE2 2.83Å; L111-Q122 VanDerWaalsContact CA-NE2 3.34Å; D118-Q122 WeakPolarHBondContact O-CG 3.18Å; D118-Q122 PolarHBondContact O-N 3.35Å; D118-Q122 VanDerWaalsContact O-N 3.1Å; K120-Q122 VanDerWaalsContact C-N 3.33Å; K120-Q122 PolarHBondContact O-N 2.72Å; Q122-V124 VanDerWaalsContact C-N 3.26Å; Q122-V124 PolarHBondContact O-N 3.39Å; Q122-Q125 PolarHBondContact O-N 3.35Å; Q122-L126 VanDerWaalsContact O-CB 3.31Å; Q122-L126 WeakPolarHBondContact O-CB 3.44Å; Q122-L126 PolarHBondContact O-N 3.15Å; Q122-I142 HydrophobicContact CB-CD1 3.84Å |
| 123 | A | 96.2 | Very high | 89.8 | Confident | 21 Ų | 21 | 77.9 Ų | 77.9 | 17% | 0.174 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E119 K120 D121 K127 I140 I142 | E119-A123 WeakPolarHBondContact O-CB 3.41Å; E119-A123 PolarHBondContact O-N 3.45Å; K120-A123 PolarHBondContact O-N 3.5Å; D121-A123 PolarHBondContact O-N 3.46Å; A123-K127 VanDerWaalsContact O-CB 3.26Å; A123-K127 WeakPolarHBondContact O-CB 3.4Å; A123-K127 PolarHBondContact O-N 3.33Å; A123-I140 HydrophobicContact CB-CG2 4.29Å; A123-I142 HydrophobicContact CB-CD1 3.94Å; A123-I142 HydrophobicContact CB-CG1 4.26Å |
| 124 | V | 96 | Very high | 90.2 | Very high | 65 Ų | 65 | 76.2 Ų | 76.2 | 39% | 0.394 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.7 | -49.2 | 177 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | K120 D121 Q122 L126 K127 Q128 | K120-V124 WeakPolarHBondContact O-CG2 3.49Å; K120-V124 PolarHBondContact O-N 3.03Å; K120-V124 VanDerWaalsContact O-N 3.15Å; D121-V124 PolarHBondContact O-N 2.8Å; Q122-V124 VanDerWaalsContact C-N 3.26Å; Q122-V124 PolarHBondContact O-N 3.39Å; V124-L126 PolarHBondContact O-N 3.02Å; V124-K127 PolarHBondContact O-N 2.93Å; V124-Q128 HydrophobicContact CG1-CG 4.42Å; V124-Q128 WeakPolarHBondContact O-CG 3.38Å; V124-Q128 PolarHBondContact O-N 2.95Å |
| 125 | Q | 96.1 | Very high | 91.2 | Very high | 74 Ų | 74 | 74.6 Ų | 74.6 | 35% | 0.346 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | -179.4 | -72.1 | -170.6 | 64.5 | 0 | 0 | 112 | L110 D121 Q122 K127 Q128 W129 | L110-Q125 HydrophobicContact CD1-CB 4.07Å; L110-Q125 HydrophobicContact CD2-CB 4Å; D121-Q125 WeakPolarHBondContact O-CG 3.1Å; D121-Q125 PolarHBondContact O-N 2.91Å; D121-Q125 PolarHBondContact OD2-NE2 2.74Å; Q122-Q125 PolarHBondContact O-N 3.35Å; Q125-K127 PolarHBondContact O-N 3.22Å; Q125-Q128 PolarHBondContact O-N 3.48Å; Q125-W129 WeakPolarHBondContact O-CB 3.49Å; Q125-W129 PolarHBondContact O-N 2.95Å |
| 126 | L | 97.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 178.4 | -174.8 | 58.1 | 0 | 0 | 0 | 111.3 | K106 A107 L110 Q122 V124 W129 L130 I140 Y168 V170 | K106-L126 HydrophobicContact CB-CD1 4.22Å; K106-L126 HydrophobicContact CG-CD1 3.96Å; A107-L126 HydrophobicContact CB-CD2 4.32Å; L110-L126 HydrophobicContact CD1-CB 3.83Å; L110-L126 HydrophobicContact CD1-CD1 4.35Å; Q122-L126 VanDerWaalsContact O-CB 3.31Å; Q122-L126 WeakPolarHBondContact O-CB 3.44Å; Q122-L126 PolarHBondContact O-N 3.15Å; V124-L126 PolarHBondContact O-N 3.02Å; L126-W129 HydrophobicContact CD1-CE3 4.16Å; L126-W129 PolarHBondContact O-N 3.34Å; L126-L130 HydrophobicContact CD1-CD1 4.41Å; L126-L130 HydrophobicContact CG-CD1 4.12Å; L126-L130 WeakPolarHBondContact O-CB 3.42Å; L126-L130 WeakPolarHBondContact O-CG 3.39Å; L126-L130 PolarHBondContact O-N 3.1Å; L126-I140 HydrophobicContact CD2-CD1 4.34Å; L126-I140 HydrophobicContact CD2-CG2 4Å; L126-I140 HydrophobicContact CG-CD1 4.25Å; L126-Y168 HydrophobicContact CD2-CD1 4.11Å; L126-Y168 HydrophobicContact CD2-CE1 4.49Å; L126-V170 HydrophobicContact CD2-CG2 4.5Å |
| 127 | K | 97.9 | Very high | 93 | Very high | 68 Ų | 68 | 63.8 Ų | 63.8 | 30% | 0.296 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.8 | -50.8 | 175.1 | -175 | -168.5 | -176.8 | -20.3 | 0 | 111.3 | A123 V124 Q125 W129 L130 D131 W138 I140 | A123-K127 VanDerWaalsContact O-CB 3.26Å; A123-K127 WeakPolarHBondContact O-CB 3.4Å; A123-K127 PolarHBondContact O-N 3.33Å; V124-K127 PolarHBondContact O-N 2.93Å; Q125-K127 PolarHBondContact O-N 3.22Å; K127-W129 VanDerWaalsContact C-N 3.3Å; K127-W129 PolarHBondContact O-N 2.83Å; K127-L130 PolarHBondContact O-N 2.9Å; K127-D131 IonicContact NZ-OD1 3.97Å; K127-D131 PolarHBondContact NZ-OD1 3.4Å; K127-D131 IonicContact NZ-OD2 3.93Å; K127-D131 PolarHBondContact NZ-OD2 3.06Å; K127-D131 WeakPolarHBondContact O-CB 3.41Å; K127-D131 PolarHBondContact O-N 3.41Å; K127-W138 WeakPolarHBondContact CE-O 3.43Å; K127-W138 WeakPolarHBondContact CG-O 3.27Å; K127-W138 PolarHBondContact NZ-O 3.37Å; K127-I140 HydrophobicContact CB-CG1 3.78Å; K127-I140 HydrophobicContact CG-CG1 4.44Å |
| 128 | Q | 97.7 | Very high | 94.3 | Very high | 111 Ų | 111 | 61.5 Ų | 61.5 | 52% | 0.519 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.9 | -44.2 | -179.2 | -74.6 | 174 | -6.7 | 0 | 0 | 111.3 | V124 Q125 D131 I132 | V124-Q128 HydrophobicContact CG1-CG 4.42Å; V124-Q128 WeakPolarHBondContact O-CG 3.38Å; V124-Q128 PolarHBondContact O-N 2.95Å; Q125-Q128 PolarHBondContact O-N 3.48Å; Q128-D131 PolarHBondContact O-N 3.28Å; Q128-I132 WeakPolarHBondContact O-CD1 3.45Å; Q128-I132 VanDerWaalsContact O-CG1 3.27Å; Q128-I132 WeakPolarHBondContact O-CG1 3.32Å; Q128-I132 PolarHBondContact O-N 3.5Å |
| 129 | W | 97.8 | Very high | 94.9 | Very high | 67 Ų | 67 | 61.1 Ų | 61.1 | 25% | 0.254 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 177.7 | 178.3 | 80.2 | 0 | 0 | 0 | 112.4 | A102 I103 K106 Q125 L126 K127 I132 T133 Y134 | A102-W129 HydrophobicContact CB-CH2 4.28Å; I103-W129 HydrophobicContact CG1-CZ3 4.06Å; K106-W129 HydrophobicContact CB-CD2 4.45Å; K106-W129 HydrophobicContact CB-CE3 4.18Å; K106-W129 HydrophobicContact CB-CH2 4.24Å; K106-W129 HydrophobicContact CB-CZ3 4.06Å; K106-W129 HydrophobicContact CD-CD2 4.24Å; K106-W129 HydrophobicContact CD-CG 4.36Å; K106-W129 HydrophobicContact CG-CD2 3.78Å; K106-W129 HydrophobicContact CG-CE3 3.83Å; K106-W129 HydrophobicContact CG-CG 4.19Å; K106-W129 HydrophobicContact CG-CZ3 4.24Å; Q125-W129 WeakPolarHBondContact O-CB 3.49Å; Q125-W129 PolarHBondContact O-N 2.95Å; L126-W129 HydrophobicContact CD1-CE3 4.16Å; L126-W129 PolarHBondContact O-N 3.34Å; K127-W129 VanDerWaalsContact C-N 3.3Å; K127-W129 PolarHBondContact O-N 2.83Å; W129-I132 PolarHBondContact O-N 2.99Å; W129-T133 HydrophobicContact CZ2-CG2 4.29Å; W129-T133 WeakPolarHBondContact O-CB 3.38Å; W129-T133 PolarHBondContact O-N 3.38Å; W129-T133 PolarHBondContact O-OG1 3.34Å; W129-Y134 HydrophobicContact CH2-CE2 4Å; W129-Y134 HydrophobicContact CZ3-CE2 4.09Å |
| 130 | L | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 176.5 | -78.6 | 167 | 0 | 0 | 0 | 112.8 | I103 L126 K127 I132 T133 Y134 W138 I140 V170 | I103-L130 HydrophobicContact CD1-CD2 3.73Å; I103-L130 HydrophobicContact CG1-CD2 3.7Å; L126-L130 HydrophobicContact CD1-CD1 4.41Å; L126-L130 HydrophobicContact CG-CD1 4.12Å; L126-L130 WeakPolarHBondContact O-CB 3.42Å; L126-L130 WeakPolarHBondContact O-CG 3.39Å; L126-L130 PolarHBondContact O-N 3.1Å; K127-L130 PolarHBondContact O-N 2.9Å; L130-I132 VanDerWaalsContact C-N 3.3Å; L130-I132 PolarHBondContact O-N 2.96Å; L130-T133 PolarHBondContact O-N 3.37Å; L130-Y134 HydrophobicContact CD2-CD2 3.6Å; L130-Y134 HydrophobicContact CD2-CE2 3.9Å; L130-Y134 PolarHBondContact O-N 3.18Å; L130-W138 HydrophobicContact CB-CB 4.02Å; L130-W138 HydrophobicContact CB-CD2 4.01Å; L130-W138 HydrophobicContact CB-CG 3.63Å; L130-W138 HydrophobicContact CD1-CB 4.26Å; L130-W138 HydrophobicContact CD1-CD2 4.17Å; L130-W138 HydrophobicContact CD1-CE3 4.15Å; L130-W138 HydrophobicContact CD1-CG 4.23Å; L130-W138 HydrophobicContact CD2-CD2 4.29Å; L130-W138 HydrophobicContact CD2-CE3 4.48Å; L130-W138 HydrophobicContact CG-CD2 4.41Å; L130-W138 HydrophobicContact CG-CG 4.43Å; L130-W138 PolarHBondContact O-NE1 2.82Å; L130-I140 HydrophobicContact CD1-CD1 3.31Å; L130-I140 HydrophobicContact CD1-CG1 4.38Å; L130-V170 HydrophobicContact CD1-CG1 3.57Å |
| 131 | D | 96.6 | Very high | 95.7 | Very high | 22 Ų | 22 | 53.9 Ų | 53.9 | 12% | 0.118 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.9 | -40 | 178.2 | -81.1 | -12.7 | 0 | 0 | 0 | 111.6 | K127 Q128 G135 K136 W138 | K127-D131 IonicContact NZ-OD1 3.97Å; K127-D131 PolarHBondContact NZ-OD1 3.4Å; K127-D131 IonicContact NZ-OD2 3.93Å; K127-D131 PolarHBondContact NZ-OD2 3.06Å; K127-D131 WeakPolarHBondContact O-CB 3.41Å; K127-D131 PolarHBondContact O-N 3.41Å; Q128-D131 PolarHBondContact O-N 3.28Å; D131-G135 CarbonylContact O-C 3.58Å; D131-G135 VanDerWaalsContact O-CA 3.25Å; D131-G135 WeakPolarHBondContact O-CA 3.43Å; D131-G135 PolarHBondContact O-N 3.24Å; D131-K136 HydrophobicContact CB-CG 3.63Å; D131-W138 PolarHBondContact OD1-N 3.14Å |
| 132 | I | 96.9 | Very high | 96 | Very high | 143 Ų | 143 | 51.5 Ų | 51.5 | 73% | 0.733 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -71.9 | -41 | 176.8 | -68.6 | 165.6 | 0 | 0 | 0 | 111 | Q128 W129 L130 | Q128-I132 WeakPolarHBondContact O-CD1 3.45Å; Q128-I132 VanDerWaalsContact O-CG1 3.27Å; Q128-I132 WeakPolarHBondContact O-CG1 3.32Å; Q128-I132 PolarHBondContact O-N 3.5Å; W129-I132 PolarHBondContact O-N 2.99Å; L130-I132 VanDerWaalsContact C-N 3.3Å; L130-I132 PolarHBondContact O-N 2.96Å |
| 133 | T | 95.9 | Very high | 96 | Very high | 64 Ų | 64 | 52.7 Ų | 52.7 | 39% | 0.393 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -84.7 | -35.5 | -169.7 | -54.8 | 0 | 0 | 0 | 0 | 112.9 | W129 L130 | W129-T133 HydrophobicContact CZ2-CG2 4.29Å; W129-T133 WeakPolarHBondContact O-CB 3.38Å; W129-T133 PolarHBondContact O-N 3.38Å; W129-T133 PolarHBondContact O-OG1 3.34Å; L130-T133 PolarHBondContact O-N 3.37Å |
| 134 | Y | 93.1 | Very high | 95.9 | Very high | 49 Ų | 49 | 56.8 Ų | 56.8 | 19% | 0.192 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -128.1 | 10.1 | -172.2 | -55.7 | -56.5 | 0 | 0 | 0 | 114.2 | R99 I103 W129 L130 W138 R172 | R99-Y134 HydrophobicContact CG-CE1 4.15Å; I103-Y134 HydrophobicContact CD1-CE2 4.27Å; I103-Y134 HydrophobicContact CG1-CE2 4.09Å; W129-Y134 HydrophobicContact CH2-CE2 4Å; W129-Y134 HydrophobicContact CZ3-CE2 4.09Å; L130-Y134 HydrophobicContact CD2-CD2 3.6Å; L130-Y134 HydrophobicContact CD2-CE2 3.9Å; L130-Y134 PolarHBondContact O-N 3.18Å; Y134-W138 HydrophobicContact CD2-CZ2 4.35Å; Y134-W138 HydrophobicContact CG-CZ2 4.44Å; Y134-R172 PolarHBondContact O-NH1 3.47Å |
| 135 | G | 91.6 | Very high | 95.7 | Very high | 29 Ų | 29 | 55.6 Ų | 55.6 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | trans | 80.6 | 147.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D131 W138 | D131-G135 CarbonylContact O-C 3.58Å; D131-G135 VanDerWaalsContact O-CA 3.25Å; D131-G135 WeakPolarHBondContact O-CA 3.43Å; D131-G135 PolarHBondContact O-N 3.24Å; G135-W138 PolarHBondContact O-NE1 3.09Å | ||
| 136 | K | 92.7 | Very high | 95.6 | Very high | 142 Ų | 142 | 56.7 Ų | 56.7 | 62% | 0.617 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -71 | 156.6 | 179.3 | -66.1 | 177.7 | 178.8 | -178 | 0 | 111.8 | D131 R172 | D131-K136 HydrophobicContact CB-CG 3.63Å; K136-R172 PolarHBondContact O-NE 3.26Å; K136-R172 PolarHBondContact O-NH2 2.88Å |
| 137 | A | 93.8 | Very high | 95.6 | Very high | 34 Ų | 34 | 59.2 Ų | 59.2 | 28% | 0.281 | 32% | 0.317 | S | S | . | . | cis | -114.3 | 120.7 | -1.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R172 T173 | A137-R172 WeakPolarHBondContact O-CA 3.22Å; A137-R172 WeakPolarHBondContact O-CG 3.25Å; A137-T173 PolarHBondContact O-N 3.08Å; A137-T173 VanDerWaalsContact O-N 3.08Å; A137-T173 PolarHBondContact O-OG1 2.77Å | ||
| 138 | W | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 146.9 | 174.8 | -69 | 85.2 | 0 | 0 | 0 | 112.6 | L95 K127 L130 D131 Y134 G135 K157 V170 W171 R172 | L95-W138 HydrophobicContact CD1-CH2 4.1Å; L95-W138 HydrophobicContact CD1-CZ3 4.32Å; L95-W138 HydrophobicContact CD2-CH2 4.23Å; K127-W138 WeakPolarHBondContact CE-O 3.43Å; K127-W138 WeakPolarHBondContact CG-O 3.27Å; K127-W138 PolarHBondContact NZ-O 3.37Å; L130-W138 HydrophobicContact CB-CB 4.02Å; L130-W138 HydrophobicContact CB-CD2 4.01Å; L130-W138 HydrophobicContact CB-CG 3.63Å; L130-W138 HydrophobicContact CD1-CB 4.26Å; L130-W138 HydrophobicContact CD1-CD2 4.17Å; L130-W138 HydrophobicContact CD1-CE3 4.15Å; L130-W138 HydrophobicContact CD1-CG 4.23Å; L130-W138 HydrophobicContact CD2-CD2 4.29Å; L130-W138 HydrophobicContact CD2-CE3 4.48Å; L130-W138 HydrophobicContact CG-CD2 4.41Å; L130-W138 HydrophobicContact CG-CG 4.43Å; L130-W138 PolarHBondContact O-NE1 2.82Å; D131-W138 PolarHBondContact OD1-N 3.14Å; Y134-W138 HydrophobicContact CD2-CZ2 4.35Å; Y134-W138 HydrophobicContact CG-CZ2 4.44Å; G135-W138 PolarHBondContact O-NE1 3.09Å; W138-K157 HydrophobicContact CH2-CB 4.31Å; W138-K157 HydrophobicContact CH2-CD 4.34Å; W138-K157 HydrophobicContact CZ2-CD 4.37Å; W138-V170 HydrophobicContact CE3-CG1 3.62Å; W138-V170 HydrophobicContact CZ3-CG1 3.76Å; W138-W171 CarbonylContact C-O 3.55Å; W138-W171 WeakPolarHBondContact CA-O 3.47Å; W138-R172 HydrophobicContact CD2-CB 3.91Å; W138-R172 HydrophobicContact CD2-CG 4.28Å; W138-R172 HydrophobicContact CE3-CB 3.99Å; W138-R172 HydrophobicContact CG-CB 4.46Å; W138-R172 HydrophobicContact CG-CG 4.42Å; W138-R172 HydrophobicContact CH2-CB 4.3Å; W138-R172 HydrophobicContact CZ2-CB 4.21Å; W138-R172 HydrophobicContact CZ3-CB 4.18Å |
| 139 | H | 96.8 | Very high | 95.3 | Very high | 74 Ų | 74 | 64.8 Ų | 64.8 | 34% | 0.343 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.1 | 171.7 | -64.9 | -89.3 | 0 | 0 | 0 | 109.4 | V170 W171 T173 | H139-V170 WeakPolarHBondContact O-CA 3.29Å; H139-W171 HydrophobicContact CB-CD2 3.78Å; H139-W171 VanDerWaalsContact CB-CE2 3.42Å; H139-W171 HydrophobicContact CB-CE3 4.2Å; H139-W171 HydrophobicContact CB-CG 4.32Å; H139-W171 HydrophobicContact CB-CH2 4.03Å; H139-W171 HydrophobicContact CB-CZ2 3.57Å; H139-W171 HydrophobicContact CB-CZ3 4.31Å; H139-W171 AromaticContact CD2-NE1 3.69Å; H139-W171 AromaticContact CG-CE2 3.88Å; H139-W171 AromaticContact CG-NE1 3.77Å; H139-W171 PolarHBondContact N-O 3.01Å; H139-W171 PolarHBondContact O-N 3.05Å; H139-W171 VanDerWaalsContact O-N 3.1Å; H139-T173 WeakPolarHBondContact NE2-CG2 3.47Å |
| 140 | I | 97.4 | Very high | 95 | Very high | 24 Ų | 24 | 67.7 Ų | 67.7 | 12% | 0.123 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 121.4 | -178.6 | -48.4 | -60.4 | 0 | 0 | 0 | 108.2 | A123 L126 K127 L130 I142 L169 V170 | A123-I140 HydrophobicContact CB-CG2 4.29Å; L126-I140 HydrophobicContact CD2-CD1 4.34Å; L126-I140 HydrophobicContact CD2-CG2 4Å; L126-I140 HydrophobicContact CG-CD1 4.25Å; K127-I140 HydrophobicContact CB-CG1 3.78Å; K127-I140 HydrophobicContact CG-CG1 4.44Å; L130-I140 HydrophobicContact CD1-CD1 3.31Å; L130-I140 HydrophobicContact CD1-CG1 4.38Å; I140-I142 HydrophobicContact CG2-CG1 4.09Å; I140-L169 WeakPolarHBondContact CA-O 3.34Å; I140-V170 HydrophobicContact CD1-CB 4.1Å; I140-V170 HydrophobicContact CD1-CG1 3.63Å; I140-V170 HydrophobicContact CD1-CG2 3.81Å |
| 141 | V | 97 | Very high | 94.6 | Very high | 60 Ų | 60 | 70.8 Ų | 70.8 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 124.8 | 169.3 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | V143 Y168 L169 W171 | V141-V143 HydrophobicContact CG1-CG2 3.81Å; V141-Y168 WeakPolarHBondContact O-CA 3.32Å; V141-L169 HydrophobicContact CB-CB 4.2Å; V141-L169 PolarHBondContact N-O 3.42Å; V141-L169 PolarHBondContact O-N 3.46Å; V141-W171 HydrophobicContact CB-CZ3 4.42Å; V141-W171 HydrophobicContact CG2-CH2 3.58Å; V141-W171 HydrophobicContact CG2-CZ3 3.76Å |
| 142 | I | 96.3 | Very high | 94.2 | Very high | 28 Ų | 28 | 74.5 Ų | 74.5 | 14% | 0.144 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 124.6 | 177.7 | -58.6 | -176.9 | 0 | 0 | 0 | 107.7 | E119 Q122 A123 I140 V166 S167 Y168 | E119-I142 HydrophobicContact CG-CG2 4.43Å; Q122-I142 HydrophobicContact CB-CD1 3.84Å; A123-I142 HydrophobicContact CB-CD1 3.94Å; A123-I142 HydrophobicContact CB-CG1 4.26Å; I140-I142 HydrophobicContact CG2-CG1 4.09Å; I142-V166 HydrophobicContact CG2-CG1 3.33Å; I142-S167 CarbonylContact C-O 3.58Å; I142-S167 WeakPolarHBondContact CA-O 3.49Å; I142-Y168 HydrophobicContact CD1-CD1 4.12Å; I142-Y168 HydrophobicContact CD1-CE1 3.7Å; I142-Y168 HydrophobicContact CG1-CD1 3.86Å; I142-Y168 HydrophobicContact CG1-CE1 3.9Å; I142-Y168 HydrophobicContact CG2-CE1 4.4Å |
| 143 | V | 95.5 | Very high | 93.8 | Very high | 30 Ų | 30 | 69.6 Ų | 69.6 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 127.9 | -175.1 | -173.7 | 0 | 0 | 0 | 0 | 110.8 | V141 F147 S167 L169 | V141-V143 HydrophobicContact CG1-CG2 3.81Å; V143-F147 HydrophobicContact CG1-CB 4.31Å; V143-F147 HydrophobicContact CG2-CB 4.32Å; V143-S167 PolarHBondContact N-O 2.79Å; V143-S167 PolarHBondContact O-N 2.99Å; V143-L169 HydrophobicContact CG2-CD1 4.39Å |
| 144 | K | 92.9 | Very high | 93.2 | Very high | 108 Ų | 108 | 67.9 Ų | 67.9 | 47% | 0.47 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 105.6 | 162.1 | -77 | 176.1 | 172.2 | 162.1 | 0 | 109.1 | F117 E119 V166 | F117-K144 VanDerWaalsContact CE1-CE 3.5Å; E119-K144 WeakPolarHBondContact OE1-CE 3.45Å; E119-K144 IonicContact OE1-NZ 2.71Å; E119-K144 PolarHBondContact OE1-NZ 2.75Å; K144-V166 HydrophobicContact CG-CG2 4.09Å |
| 145 | G | 91.8 | Very high | 92.7 | Very high | 39 Ų | 39 | 69.2 Ų | 69.2 | 40% | 0.402 | 40% | 0.397 | S | S | . | . | S | Bend | trans | 119.4 | -154.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 146 | S | 94.5 | Very high | 92.5 | Very high | 98 Ų | 98 | 72.8 Ų | 72.8 | 69% | 0.685 | 41% | 0.409 | S | S | * | . | trans | -89.2 | 149.9 | -179.4 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 147 | F | 96.6 | Very high | 92.5 | Very high | 54 Ų | 54 | 67.9 Ų | 67.9 | 24% | 0.237 | 39% | 0.387 | C | S | . | . | trans | -140.6 | 155.6 | 177.2 | 64.1 | -88.7 | 0 | 0 | 0 | 110.9 | I91 V143 I160 L169 | I91-F147 HydrophobicContact CD1-CE1 4.07Å; I91-F147 HydrophobicContact CD1-CZ 4.05Å; I91-F147 HydrophobicContact CG2-CZ 4.47Å; V143-F147 HydrophobicContact CG1-CB 4.31Å; V143-F147 HydrophobicContact CG2-CB 4.32Å; F147-I160 HydrophobicContact CE2-CG2 4.39Å; F147-I160 HydrophobicContact CZ-CG2 3.79Å; F147-L169 HydrophobicContact CD1-CD1 4.14Å; F147-L169 HydrophobicContact CD2-CD1 4.02Å; F147-L169 HydrophobicContact CD2-CD2 3.81Å; F147-L169 HydrophobicContact CD2-CG 4.34Å; F147-L169 HydrophobicContact CE1-CD1 3.96Å; F147-L169 HydrophobicContact CE2-CD1 3.82Å; F147-L169 HydrophobicContact CE2-CD2 3.82Å; F147-L169 HydrophobicContact CE2-CG 3.99Å; F147-L169 HydrophobicContact CG-CD1 4.18Å; F147-L169 HydrophobicContact CZ-CD1 3.8Å; F147-L169 HydrophobicContact CZ-CG 4.3Å | ||
| 148 | W | 96.5 | Very high | 92.6 | Very high | 234 Ų | 234 | 66.2 Ų | 66.2 | 89% | 0.886 | 37% | 0.374 | S | S | * | . | trans | -133.2 | 136.7 | 167.4 | -64.7 | -97.6 | 0 | 0 | 0 | 107 | ||||
| 149 | S | 93.1 | Very high | 92.7 | Very high | 61 Ų | 61 | 66.2 Ų | 66.2 | 43% | 0.427 | 37% | 0.374 | S | S | . | . | trans | -146.5 | 145.1 | -172.9 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | Y151 | S149-Y151 WeakPolarHBondContact OG-CE1 3.3Š| ||
| 150 | S | 92.1 | Very high | 92.7 | Very high | 128 Ų | 128 | 63 Ų | 63 | 90% | 0.895 | 36% | 0.359 | S | S | * | . | trans | -129.8 | 124.5 | 168.4 | 180 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 151 | Y | 89.3 | Confident | 92.8 | Very high | 65 Ų | 65 | 61.9 Ų | 61.9 | 26% | 0.255 | 35% | 0.354 | S | S | . | . | trans | -155.5 | 161.3 | -173.5 | 56.3 | -84.7 | 0 | 0 | 0 | 110.8 | S149 H153 I160 W171 | S149-Y151 WeakPolarHBondContact OG-CE1 3.3Å; Y151-H153 AromaticContact CD2-CD2 3.58Å; Y151-H153 AromaticContact CE2-CD2 3.31Å; Y151-H153 WeakPolarHBondContact CE2-CD2 3.32Å; Y151-H153 AromaticContact CE2-NE2 3.99Å; Y151-I160 HydrophobicContact CE1-CD1 4.36Å; Y151-I160 WeakPolarHBondContact OH-CD1 3.36Å; Y151-W171 HydrophobicContact CD2-CD2 4.23Å; Y151-W171 HydrophobicContact CD2-CG 4.15Å; Y151-W171 HydrophobicContact CE2-CG 4.49Å | ||
| 152 | S | 88.6 | Confident | 92.8 | Very high | 100 Ų | 100 | 63.4 Ų | 63.4 | 70% | 0.699 | 35% | 0.353 | S | S | * | . | trans | -115.6 | 146.1 | 170 | -61.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 153 | H | 87.5 | Confident | 92.8 | Very high | 41 Ų | 41 | 62.1 Ų | 62.1 | 19% | 0.19 | 35% | 0.346 | C | S | . | . | trans | -148.3 | 161.1 | -179.6 | 58.4 | 75.5 | 0 | 0 | 0 | 110.7 | Q94 Y151 W171 R172 | Q94-H153 PolarHBondContact OE1-CE1 3.29Å; Y151-H153 AromaticContact CD2-CD2 3.58Å; Y151-H153 AromaticContact CE2-CD2 3.31Å; Y151-H153 WeakPolarHBondContact CE2-CD2 3.32Å; Y151-H153 AromaticContact CE2-NE2 3.99Å; H153-W171 HydrophobicContact CB-CB 3.87Å; H153-W171 HydrophobicContact CB-CG 4.17Å; H153-R172 CarbonylContact C-O 3.57Å; H153-R172 WeakPolarHBondContact CA-O 3.47Å; H153-R172 VanDerWaalsContact CB-O 3.32Å; H153-R172 WeakPolarHBondContact CB-O 3.31Å | ||
| 154 | S | 83.5 | Confident | 92.5 | Very high | 27 Ų | 27 | 68.4 Ų | 68.4 | 19% | 0.189 | 37% | 0.367 | C | S | . | . | trans | -55.4 | 141.8 | 168.8 | -75.8 | 0 | 0 | 0 | 0 | 110.7 | N156 K157 R172 T173 P174 | S154-N156 PolarHBondContact O-N 2.9Å; S154-K157 PolarHBondContact O-N 3.18Å; S154-R172 PolarHBondContact N-O 3.22Å; S154-T173 VanDerWaalsContact OG-C 3.27Å; S154-T173 PolarHBondContact OG-O 3.44Å; S154-P174 WeakPolarHBondContact OG-CA 3.49Å | ||
| 155 | A | 83.3 | Confident | 92.4 | Very high | 78 Ų | 78 | 67.8 Ų | 67.8 | 65% | 0.645 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 136.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | K157 | A155-K157 VanDerWaalsContact C-N 3.26Å; A155-K157 WeakPolarHBondContact O-CG 3.39Å; A155-K157 PolarHBondContact O-N 3.26Å |
| 156 | N | 86.8 | Confident | 92.5 | Very high | 103 Ų | 103 | 66 Ų | 66 | 55% | 0.551 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 27 | 178.6 | -50.3 | -45 | 0 | 0 | 0 | 114.7 | Q94 L95 S154 | Q94-N156 CarbonylContact O-C 3.59Å; Q94-N156 VanDerWaalsContact O-CA 3.26Å; Q94-N156 WeakPolarHBondContact O-CA 3.23Å; L95-N156 WeakPolarHBondContact CD2-O 3.36Å; S154-N156 PolarHBondContact O-N 2.9Å |
| 157 | K | 92.7 | Very high | 92.6 | Very high | 39 Ų | 39 | 61.4 Ų | 61.4 | 17% | 0.17 | 32% | 0.317 | C | S | . | . | trans | -132.6 | 32.8 | -177.4 | -56.7 | -70.2 | 178.3 | 168.3 | 0 | 113.1 | L95 W138 S154 A155 W171 R172 | L95-K157 HydrophobicContact CD2-CD 4.45Å; W138-K157 HydrophobicContact CH2-CB 4.31Å; W138-K157 HydrophobicContact CH2-CD 4.34Å; W138-K157 HydrophobicContact CZ2-CD 4.37Å; S154-K157 PolarHBondContact O-N 3.18Å; A155-K157 VanDerWaalsContact C-N 3.26Å; A155-K157 WeakPolarHBondContact O-CG 3.39Å; A155-K157 PolarHBondContact O-N 3.26Å; K157-W171 CarbonylContact O-C 3.58Å; K157-W171 VanDerWaalsContact O-CA 3.27Å; K157-W171 WeakPolarHBondContact O-CA 3.46Å; K157-R172 HydrophobicContact CB-CB 3.68Å; K157-R172 HydrophobicContact CG-CB 4.28Å; K157-R172 PolarHBondContact O-N 2.9Å | ||
| 158 | C | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 139.7 | 174.9 | -173.5 | 0 | 0 | 0 | 0 | 110.8 | Y92 Q94 L95 V170 W171 | Y92-C158 HydrophobicContact CD1-CB 4.46Å; Y92-C158 HydrophobicContact CE1-CB 4.06Å; Q94-C158 PolarHBondContact N-O 3.22Å; L95-C158 PolarHBondContact N-O 3.45Å; C158-V170 CarbonylContact C-O 3.13Å; C158-V170 WeakPolarHBondContact CA-O 3.45Å; C158-W171 HydrophobicContact CB-CB 4.24Å |
| 159 | F | 97.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 121.6 | 173.4 | -178 | -142.4 | 0 | 0 | 0 | 109.6 | L84 V90 E93 L95 Q100 I103 F161 V170 | L84-F159 HydrophobicContact CD2-CZ 4.45Å; V90-F159 HydrophobicContact CG1-CE2 4.11Å; V90-F159 HydrophobicContact CG2-CE2 4.03Å; V90-F159 HydrophobicContact CG2-CZ 4.46Å; E93-F159 HydrophobicContact CB-CD2 4Å; E93-F159 HydrophobicContact CB-CE2 4.43Å; L95-F159 HydrophobicContact CD1-CB 3.55Å; L95-F159 HydrophobicContact CD1-CG 4.45Å; L95-F159 HydrophobicContact CG-CB 4.42Å; Q100-F159 HydrophobicContact CB-CD1 4.38Å; Q100-F159 HydrophobicContact CB-CE1 3.86Å; Q100-F159 HydrophobicContact CB-CE2 4.09Å; Q100-F159 HydrophobicContact CB-CZ 3.71Å; Q100-F159 HydrophobicContact CG-CD1 4.49Å; Q100-F159 HydrophobicContact CG-CD2 4.12Å; Q100-F159 HydrophobicContact CG-CE1 4.37Å; Q100-F159 HydrophobicContact CG-CE2 3.97Å; Q100-F159 HydrophobicContact CG-CG 4.39Å; Q100-F159 HydrophobicContact CG-CZ 4.11Å; Q100-F159 WeakPolarHBondContact O-CE1 3.45Å; I103-F159 HydrophobicContact CB-CD1 4.37Å; I103-F159 HydrophobicContact CG2-CD1 4.16Å; F159-F161 AromaticContact CD1-CD1 3.39Å; F159-F161 HydrophobicContact CD1-CD1 3.39Å; F159-F161 AromaticContact CD1-CE1 3.64Å; F159-F161 HydrophobicContact CD1-CE1 3.64Å; F159-F161 HydrophobicContact CD1-CG 4.34Å; F159-F161 HydrophobicContact CD2-CD1 4.3Å; F159-F161 HydrophobicContact CE1-CB 4.22Å; F159-F161 AromaticContact CE1-CD1 3.22Å; F159-F161 HydrophobicContact CE1-CD1 3.22Å; F159-F161 AromaticContact CE1-CE1 3.61Å; F159-F161 HydrophobicContact CE1-CE1 3.61Å; F159-F161 AromaticContact CE1-CG 3.76Å; F159-F161 HydrophobicContact CE1-CG 3.76Å; F159-F161 HydrophobicContact CE1-CZ 4.41Å; F159-F161 HydrophobicContact CE2-CB 3.94Å; F159-F161 HydrophobicContact CE2-CD1 4.17Å; F159-F161 HydrophobicContact CE2-CG 4.36Å; F159-F161 AromaticContact CG-CD1 3.94Å; F159-F161 HydrophobicContact CG-CD1 3.94Å; F159-F161 HydrophobicContact CG-CE1 4.5Å; F159-F161 HydrophobicContact CZ-CB 3.72Å; F159-F161 AromaticContact CZ-CD1 3.64Å; F159-F161 HydrophobicContact CZ-CD1 3.64Å; F159-F161 HydrophobicContact CZ-CE1 4.44Å; F159-F161 AromaticContact CZ-CG 3.76Å; F159-F161 HydrophobicContact CZ-CG 3.76Å; F159-V170 PolarHBondContact N-O 3.18Å; F159-V170 WeakPolarHBondContact O-CA 3.39Å; F159-V170 WeakPolarHBondContact O-CB 3.36Å; F159-V170 PolarHBondContact O-N 3.31Å |
| 160 | I | 98 | Very high | 93 | Very high | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 123 | 174.5 | -52.2 | -178.9 | 0 | 0 | 0 | 107.9 | I91 Y92 F147 Y151 Y168 L169 | I91-I160 WeakPolarHBondContact CA-O 3.32Å; I91-I160 HydrophobicContact CB-CB 4.19Å; I91-I160 HydrophobicContact CB-CG2 3.83Å; I91-I160 HydrophobicContact CD1-CG2 4.03Å; I91-I160 HydrophobicContact CG1-CG2 4.43Å; I91-I160 HydrophobicContact CG2-CG2 4.11Å; I91-I160 PolarHBondContact N-O 2.98Å; Y92-I160 HydrophobicContact CD1-CD1 4.45Å; Y92-I160 HydrophobicContact CD1-CG1 4.47Å; Y92-I160 PolarHBondContact N-O 3.09Å; Y92-I160 PolarHBondContact O-N 3.45Å; Y92-I160 VanDerWaalsContact O-O 3.12Å; F147-I160 HydrophobicContact CE2-CG2 4.39Å; F147-I160 HydrophobicContact CZ-CG2 3.79Å; Y151-I160 HydrophobicContact CE1-CD1 4.36Å; Y151-I160 WeakPolarHBondContact OH-CD1 3.36Å; I160-Y168 VanDerWaalsContact CA-O 3.28Å; I160-Y168 WeakPolarHBondContact CA-O 3.42Å; I160-L169 HydrophobicContact CD1-CD2 4.46Å; I160-L169 HydrophobicContact CD1-CG 4.04Å; I160-L169 HydrophobicContact CG1-CB 4.36Å; I160-L169 HydrophobicContact CG1-CG 4.17Å; I160-L169 HydrophobicContact CG2-CD1 4.13Å; I160-L169 HydrophobicContact CG2-CG 3.94Å |
| 161 | F | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 163.1 | -178.9 | 64.5 | -79.2 | 0 | 0 | 0 | 110.6 | V88 V89 I103 A107 F159 V163 S167 Y168 V170 | V88-F161 HydrophobicContact CG1-CB 4.07Å; V88-F161 HydrophobicContact CG1-CD2 4.05Å; V88-F161 HydrophobicContact CG1-CG 4.37Å; V89-F161 CarbonylContact O-C 3.5Å; V89-F161 VanDerWaalsContact O-CA 3.28Å; V89-F161 WeakPolarHBondContact O-CA 3.09Å; I103-F161 HydrophobicContact CG2-CE1 4.12Å; I103-F161 HydrophobicContact CG2-CZ 4.41Å; A107-F161 HydrophobicContact CB-CE2 3.94Å; A107-F161 HydrophobicContact CB-CZ 3.72Å; F159-F161 AromaticContact CD1-CD1 3.39Å; F159-F161 HydrophobicContact CD1-CD1 3.39Å; F159-F161 AromaticContact CD1-CE1 3.64Å; F159-F161 HydrophobicContact CD1-CE1 3.64Å; F159-F161 HydrophobicContact CD1-CG 4.34Å; F159-F161 HydrophobicContact CD2-CD1 4.3Å; F159-F161 HydrophobicContact CE1-CB 4.22Å; F159-F161 AromaticContact CE1-CD1 3.22Å; F159-F161 HydrophobicContact CE1-CD1 3.22Å; F159-F161 AromaticContact CE1-CE1 3.61Å; F159-F161 HydrophobicContact CE1-CE1 3.61Å; F159-F161 AromaticContact CE1-CG 3.76Å; F159-F161 HydrophobicContact CE1-CG 3.76Å; F159-F161 HydrophobicContact CE1-CZ 4.41Å; F159-F161 HydrophobicContact CE2-CB 3.94Å; F159-F161 HydrophobicContact CE2-CD1 4.17Å; F159-F161 HydrophobicContact CE2-CG 4.36Å; F159-F161 AromaticContact CG-CD1 3.94Å; F159-F161 HydrophobicContact CG-CD1 3.94Å; F159-F161 HydrophobicContact CG-CE1 4.5Å; F159-F161 HydrophobicContact CZ-CB 3.72Å; F159-F161 AromaticContact CZ-CD1 3.64Å; F159-F161 HydrophobicContact CZ-CD1 3.64Å; F159-F161 HydrophobicContact CZ-CE1 4.44Å; F159-F161 AromaticContact CZ-CG 3.76Å; F159-F161 HydrophobicContact CZ-CG 3.76Å; F161-V163 HydrophobicContact CD2-CG2 3.89Å; F161-V163 HydrophobicContact CE2-CG2 3.8Å; F161-S167 WeakPolarHBondContact O-CA 3.43Å; F161-Y168 HydrophobicContact CD2-CD2 4.18Å; F161-Y168 HydrophobicContact CE1-CG 4.24Å; F161-Y168 AromaticContact CE2-CD2 3.63Å; F161-Y168 HydrophobicContact CE2-CD2 3.63Å; F161-Y168 HydrophobicContact CE2-CE2 4.33Å; F161-Y168 AromaticContact CE2-CG 3.93Å; F161-Y168 HydrophobicContact CE2-CG 3.93Å; F161-Y168 HydrophobicContact CZ-CD1 4.38Å; F161-Y168 AromaticContact CZ-CD2 3.93Å; F161-Y168 HydrophobicContact CZ-CD2 3.93Å; F161-Y168 AromaticContact CZ-CG 3.71Å; F161-Y168 HydrophobicContact CZ-CG 3.71Å; F161-Y168 PolarHBondContact N-O 3.19Å; F161-Y168 VanDerWaalsContact N-O 3.09Å; F161-Y168 PolarHBondContact O-N 3.3Å; F161-V170 HydrophobicContact CE1-CG2 4.13Å |
| 162 | R | 97.8 | Very high | 93.5 | Very high | 91 Ų | 91 | 39.1 Ų | 39.1 | 34% | 0.343 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 136.8 | 175.5 | -179.5 | 90.5 | 69.5 | 78 | 2.4 | 108.6 | V88 V89 I91 R164 V166 S167 | V88-R162 WeakPolarHBondContact CA-O 3.43Å; V89-R162 HydrophobicContact CB-CB 4.26Å; V89-R162 PolarHBondContact N-O 3.48Å; V89-R162 PolarHBondContact O-N 2.85Å; I91-R162 HydrophobicContact CD1-CB 4.27Å; R162-R164 WeakPolarHBondContact CD-O 3.47Å; R162-R164 WeakPolarHBondContact CG-O 3.5Å; R162-V166 WeakPolarHBondContact CA-O 3.42Å; R162-V166 VanDerWaalsContact CD-C 3.47Å; R162-V166 WeakPolarHBondContact CD-O 3.3Å; R162-S167 VanDerWaalsContact CD-OG 3.26Å; R162-S167 WeakPolarHBondContact CD-OG 3.46Å; R162-S167 PolarHBondContact NE-OG 3.03Å |
| 163 | V | 95.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 113.2 | 162.9 | -178.9 | 0 | 0 | 0 | 0 | 106.7 | D87 V88 I108 L111 F161 D165 V166 Y168 | D87-V163 HydrophobicContact CB-CG1 4.32Å; V88-V163 HydrophobicContact CG2-CG2 4.19Å; I108-V163 HydrophobicContact CD1-CG2 4.46Å; I108-V163 HydrophobicContact CG1-CG1 3.92Å; I108-V163 HydrophobicContact CG1-CG2 3.99Å; L111-V163 HydrophobicContact CD2-CB 4.39Å; L111-V163 HydrophobicContact CD2-CG1 3.74Å; F161-V163 HydrophobicContact CD2-CG2 3.89Å; F161-V163 HydrophobicContact CE2-CG2 3.8Å; V163-D165 PolarHBondContact O-N 2.92Å; V163-V166 PolarHBondContact N-O 3.18Å; V163-V166 PolarHBondContact O-N 3.4Å; V163-Y168 HydrophobicContact CB-CE2 4.27Å; V163-Y168 HydrophobicContact CG2-CE2 4.29Å |
| 164 | R | 89.1 | Confident | 93.2 | Very high | 162 Ų | 162 | 38 Ų | 38 | 61% | 0.611 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | -115.4 | -174 | -55.9 | 175.2 | -177.7 | 173.2 | -0.3 | 112.1 | D87 R162 | D87-R164 IonicContact OD2-NE 3.95Å; D87-R164 IonicContact OD2-NH2 3.38Å; R162-R164 WeakPolarHBondContact CD-O 3.47Å; R162-R164 WeakPolarHBondContact CG-O 3.5Å |
| 165 | D | 90.9 | Very high | 92.7 | Very high | 95 Ų | 95 | 41.6 Ų | 41.6 | 51% | 0.508 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 0 | 179.8 | 64.8 | -43.8 | 0 | 0 | 0 | 113.6 | V163 | V163-D165 PolarHBondContact O-N 2.92Š|
| 166 | V | 94.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 120.8 | -176 | -173.7 | 0 | 0 | 0 | 0 | 110.8 | F117 I142 K144 R162 V163 Y168 | F117-V166 HydrophobicContact CE1-CG2 4.46Å; F117-V166 HydrophobicContact CZ-CG1 4.28Å; F117-V166 HydrophobicContact CZ-CG2 4.1Å; I142-V166 HydrophobicContact CG2-CG1 3.33Å; K144-V166 HydrophobicContact CG-CG2 4.09Å; R162-V166 WeakPolarHBondContact CA-O 3.42Å; R162-V166 VanDerWaalsContact CD-C 3.47Å; R162-V166 WeakPolarHBondContact CD-O 3.3Å; V163-V166 PolarHBondContact N-O 3.18Å; V163-V166 PolarHBondContact O-N 3.4Å; V166-Y168 HydrophobicContact CB-CE2 4.08Å; V166-Y168 HydrophobicContact CG1-CD2 4.32Å; V166-Y168 HydrophobicContact CG1-CE2 3.65Å |
| 167 | S | 97.1 | Very high | 90 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 138.2 | 173.8 | -50.7 | 0 | 0 | 0 | 0 | 110.3 | I142 V143 F161 R162 | I142-S167 CarbonylContact C-O 3.58Å; I142-S167 WeakPolarHBondContact CA-O 3.49Å; V143-S167 PolarHBondContact N-O 2.79Å; V143-S167 PolarHBondContact O-N 2.99Å; F161-S167 WeakPolarHBondContact O-CA 3.43Å; R162-S167 VanDerWaalsContact CD-OG 3.26Å; R162-S167 WeakPolarHBondContact CD-OG 3.46Å; R162-S167 PolarHBondContact NE-OG 3.03Å |
| 168 | Y | 97.9 | Very high | 87.9 | Confident | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 118.3 | 175.9 | -64.5 | -96.8 | 0 | 0 | 0 | 108.2 | A107 L126 V141 I142 I160 F161 V163 V166 | A107-Y168 HydrophobicContact CB-CD1 4.17Å; A107-Y168 HydrophobicContact CB-CE1 3.88Å; A107-Y168 HydrophobicContact CB-CE2 4.33Å; L126-Y168 HydrophobicContact CD2-CD1 4.11Å; L126-Y168 HydrophobicContact CD2-CE1 4.49Å; V141-Y168 WeakPolarHBondContact O-CA 3.32Å; I142-Y168 HydrophobicContact CD1-CD1 4.12Å; I142-Y168 HydrophobicContact CD1-CE1 3.7Å; I142-Y168 HydrophobicContact CG1-CD1 3.86Å; I142-Y168 HydrophobicContact CG1-CE1 3.9Å; I142-Y168 HydrophobicContact CG2-CE1 4.4Å; I160-Y168 VanDerWaalsContact CA-O 3.28Å; I160-Y168 WeakPolarHBondContact CA-O 3.42Å; F161-Y168 HydrophobicContact CD2-CD2 4.18Å; F161-Y168 HydrophobicContact CE1-CG 4.24Å; F161-Y168 AromaticContact CE2-CD2 3.63Å; F161-Y168 HydrophobicContact CE2-CD2 3.63Å; F161-Y168 HydrophobicContact CE2-CE2 4.33Å; F161-Y168 AromaticContact CE2-CG 3.93Å; F161-Y168 HydrophobicContact CE2-CG 3.93Å; F161-Y168 HydrophobicContact CZ-CD1 4.38Å; F161-Y168 AromaticContact CZ-CD2 3.93Å; F161-Y168 HydrophobicContact CZ-CD2 3.93Å; F161-Y168 AromaticContact CZ-CG 3.71Å; F161-Y168 HydrophobicContact CZ-CG 3.71Å; F161-Y168 PolarHBondContact N-O 3.19Å; F161-Y168 VanDerWaalsContact N-O 3.09Å; F161-Y168 PolarHBondContact O-N 3.3Å; V163-Y168 HydrophobicContact CB-CE2 4.27Å; V163-Y168 HydrophobicContact CG2-CE2 4.29Å; V166-Y168 HydrophobicContact CB-CE2 4.08Å; V166-Y168 HydrophobicContact CG1-CD2 4.32Å; V166-Y168 HydrophobicContact CG1-CE2 3.65Å |
| 169 | L | 98 | Very high | 85.4 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 113.3 | 168.2 | -67.5 | 65 | 0 | 0 | 0 | 107.1 | I140 V141 V143 F147 I160 W171 | I140-L169 WeakPolarHBondContact CA-O 3.34Å; V141-L169 HydrophobicContact CB-CB 4.2Å; V141-L169 PolarHBondContact N-O 3.42Å; V141-L169 PolarHBondContact O-N 3.46Å; V143-L169 HydrophobicContact CG2-CD1 4.39Å; F147-L169 HydrophobicContact CD1-CD1 4.14Å; F147-L169 HydrophobicContact CD2-CD1 4.02Å; F147-L169 HydrophobicContact CD2-CD2 3.81Å; F147-L169 HydrophobicContact CD2-CG 4.34Å; F147-L169 HydrophobicContact CE1-CD1 3.96Å; F147-L169 HydrophobicContact CE2-CD1 3.82Å; F147-L169 HydrophobicContact CE2-CD2 3.82Å; F147-L169 HydrophobicContact CE2-CG 3.99Å; F147-L169 HydrophobicContact CG-CD1 4.18Å; F147-L169 HydrophobicContact CZ-CD1 3.8Å; F147-L169 HydrophobicContact CZ-CG 4.3Å; I160-L169 HydrophobicContact CD1-CD2 4.46Å; I160-L169 HydrophobicContact CD1-CG 4.04Å; I160-L169 HydrophobicContact CG1-CB 4.36Å; I160-L169 HydrophobicContact CG1-CG 4.17Å; I160-L169 HydrophobicContact CG2-CD1 4.13Å; I160-L169 HydrophobicContact CG2-CG 3.94Å; L169-W171 HydrophobicContact CB-CE3 4.12Å; L169-W171 HydrophobicContact CB-CZ3 3.74Å |
| 170 | V | 97.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 117.8 | -175.6 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | L126 L130 W138 H139 I140 C158 F159 F161 | L126-V170 HydrophobicContact CD2-CG2 4.5Å; L130-V170 HydrophobicContact CD1-CG1 3.57Å; W138-V170 HydrophobicContact CE3-CG1 3.62Å; W138-V170 HydrophobicContact CZ3-CG1 3.76Å; H139-V170 WeakPolarHBondContact O-CA 3.29Å; I140-V170 HydrophobicContact CD1-CB 4.1Å; I140-V170 HydrophobicContact CD1-CG1 3.63Å; I140-V170 HydrophobicContact CD1-CG2 3.81Å; C158-V170 CarbonylContact C-O 3.13Å; C158-V170 WeakPolarHBondContact CA-O 3.45Å; F159-V170 PolarHBondContact N-O 3.18Å; F159-V170 WeakPolarHBondContact O-CA 3.39Å; F159-V170 WeakPolarHBondContact O-CB 3.36Å; F159-V170 PolarHBondContact O-N 3.31Å; F161-V170 HydrophobicContact CE1-CG2 4.13Å |
| 171 | W | 96.7 | Very high | 80.1 | Confident | 37 Ų | 37 | 72.2 Ų | 72.2 | 14% | 0.14 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 151.7 | 175.2 | 71.6 | 95.2 | 0 | 0 | 0 | 112.6 | W138 H139 V141 Y151 H153 K157 C158 L169 | W138-W171 CarbonylContact C-O 3.55Å; W138-W171 WeakPolarHBondContact CA-O 3.47Å; H139-W171 HydrophobicContact CB-CD2 3.78Å; H139-W171 VanDerWaalsContact CB-CE2 3.42Å; H139-W171 HydrophobicContact CB-CE3 4.2Å; H139-W171 HydrophobicContact CB-CG 4.32Å; H139-W171 HydrophobicContact CB-CH2 4.03Å; H139-W171 HydrophobicContact CB-CZ2 3.57Å; H139-W171 HydrophobicContact CB-CZ3 4.31Å; H139-W171 AromaticContact CD2-NE1 3.69Å; H139-W171 AromaticContact CG-CE2 3.88Å; H139-W171 AromaticContact CG-NE1 3.77Å; H139-W171 PolarHBondContact N-O 3.01Å; H139-W171 PolarHBondContact O-N 3.05Å; H139-W171 VanDerWaalsContact O-N 3.1Å; V141-W171 HydrophobicContact CB-CZ3 4.42Å; V141-W171 HydrophobicContact CG2-CH2 3.58Å; V141-W171 HydrophobicContact CG2-CZ3 3.76Å; Y151-W171 HydrophobicContact CD2-CD2 4.23Å; Y151-W171 HydrophobicContact CD2-CG 4.15Å; Y151-W171 HydrophobicContact CE2-CG 4.49Å; H153-W171 HydrophobicContact CB-CB 3.87Å; H153-W171 HydrophobicContact CB-CG 4.17Å; K157-W171 CarbonylContact O-C 3.58Å; K157-W171 VanDerWaalsContact O-CA 3.27Å; K157-W171 WeakPolarHBondContact O-CA 3.46Å; C158-W171 HydrophobicContact CB-CB 4.24Å; L169-W171 HydrophobicContact CB-CE3 4.12Å; L169-W171 HydrophobicContact CB-CZ3 3.74Å |
| 172 | R | 95 | Very high | 79.2 | Confident | 32 Ų | 32 | 75.9 Ų | 75.9 | 12% | 0.121 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 135.1 | 173.2 | -163.8 | -177.7 | 158.8 | -174.4 | -14.9 | 110.2 | Y134 K136 A137 W138 H153 S154 K157 D175 | Y134-R172 PolarHBondContact O-NH1 3.47Å; K136-R172 PolarHBondContact O-NE 3.26Å; K136-R172 PolarHBondContact O-NH2 2.88Å; A137-R172 WeakPolarHBondContact O-CA 3.22Å; A137-R172 WeakPolarHBondContact O-CG 3.25Å; W138-R172 HydrophobicContact CD2-CB 3.91Å; W138-R172 HydrophobicContact CD2-CG 4.28Å; W138-R172 HydrophobicContact CE3-CB 3.99Å; W138-R172 HydrophobicContact CG-CB 4.46Å; W138-R172 HydrophobicContact CG-CG 4.42Å; W138-R172 HydrophobicContact CH2-CB 4.3Å; W138-R172 HydrophobicContact CZ2-CB 4.21Å; W138-R172 HydrophobicContact CZ3-CB 4.18Å; H153-R172 CarbonylContact C-O 3.57Å; H153-R172 WeakPolarHBondContact CA-O 3.47Å; H153-R172 VanDerWaalsContact CB-O 3.32Å; H153-R172 WeakPolarHBondContact CB-O 3.31Å; S154-R172 PolarHBondContact N-O 3.22Å; K157-R172 HydrophobicContact CB-CB 3.68Å; K157-R172 HydrophobicContact CG-CB 4.28Å; K157-R172 PolarHBondContact O-N 2.9Å; R172-D175 IonicContact CZ-OD1 3.74Å; R172-D175 IonicContact CZ-OD2 3.85Å; R172-D175 IonicContact NE-OD1 2.91Å; R172-D175 IonicContact NH2-OD1 3.82Å; R172-D175 PolarHBondContact NH2-OD1 3.46Å; R172-D175 IonicContact NH2-OD2 3.61Å; R172-D175 PolarHBondContact NH2-OD2 3.24Å |
| 173 | T | 91.1 | Very high | 78.3 | Confident | 40 Ų | 40 | 75.1 Ų | 75.1 | 25% | 0.245 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 157 | 170.2 | 43.7 | 0 | 0 | 0 | 0 | 111.6 | A137 H139 S154 | A137-T173 PolarHBondContact O-N 3.08Å; A137-T173 VanDerWaalsContact O-N 3.08Å; A137-T173 PolarHBondContact O-OG1 2.77Å; H139-T173 WeakPolarHBondContact NE2-CG2 3.47Å; S154-T173 VanDerWaalsContact OG-C 3.27Å; S154-T173 PolarHBondContact OG-O 3.44Å |
| 174 | P | 78.9 | Confident | 77.3 | Confident | 77 Ų | 77 | 79.1 Ų | 79.1 | 50% | 0.5 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 137 | 164 | -22.4 | 34.4 | 0 | 0 | 0 | 110 | S154 E176 | S154-P174 WeakPolarHBondContact OG-CA 3.49Å; P174-E176 PolarHBondContact O-N 3.49Å |
| 175 | D | 73.1 | Confident | 76.6 | Confident | 103 Ų | 103 | 74.2 Ų | 74.2 | 55% | 0.551 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 130.9 | 160.5 | -62 | -24.3 | 0 | 0 | 0 | 105.5 | R172 E177 | R172-D175 IonicContact CZ-OD1 3.74Å; R172-D175 IonicContact CZ-OD2 3.85Å; R172-D175 IonicContact NE-OD1 2.91Å; R172-D175 IonicContact NH2-OD1 3.82Å; R172-D175 PolarHBondContact NH2-OD1 3.46Å; R172-D175 IonicContact NH2-OD2 3.61Å; R172-D175 PolarHBondContact NH2-OD2 3.24Å; D175-E177 PolarHBondContact O-N 3.38Å |
| 176 | E | 58.6 | Low | 75.7 | Confident | 169 Ų | 169 | 72.9 Ų | 72.9 | 79% | 0.79 | 42% | 0.422 | S | S | * | . | trans | -58.6 | 108.6 | 168.8 | -78.7 | -177.2 | 164.1 | 0 | 0 | 107 | P174 I178 | P174-E176 PolarHBondContact O-N 3.49Å; E176-I178 HydrophobicContact CB-CG1 4.15Å; E176-I178 PolarHBondContact O-N 3.16Å | ||
| 177 | E | 53.6 | Low | 74.4 | Confident | 174 Ų | 174 | 77.7 Ų | 77.7 | 81% | 0.813 | 45% | 0.45 | S | S | * | . | trans | -64 | 85.8 | 151.6 | -84.1 | -175 | 170 | 0 | 0 | 105.6 | D175 T179 | D175-E177 PolarHBondContact O-N 3.38Å; E177-T179 HydrophobicContact CB-CG2 4.37Å; E177-T179 PolarHBondContact O-N 2.96Å | ||
| 178 | I | 49.1 | Very low | 72.8 | Confident | 136 Ų | 136 | 83.2 Ų | 83.2 | 70% | 0.697 | 48% | 0.482 | S | S | * | . | trans | -67.5 | 76.6 | 151.2 | -53.6 | 175.9 | 0 | 0 | 0 | 104.4 | E176 S180 | E176-I178 HydrophobicContact CB-CG1 4.15Å; E176-I178 PolarHBondContact O-N 3.16Å; I178-S180 PolarHBondContact O-N 2.95Å | ||
| 179 | T | 43 | Very low | 70.9 | Confident | 110 Ų | 110 | 89.5 Ų | 89.5 | 68% | 0.675 | 52% | 0.519 | S | S | * | . | trans | -64 | 96.7 | 153.5 | 45.2 | 0 | 0 | 0 | 0 | 104.5 | E177 A181 | E177-T179 HydrophobicContact CB-CG2 4.37Å; E177-T179 PolarHBondContact O-N 2.96Å; T179-A181 PolarHBondContact O-N 3.18Å | ||
| 180 | S | 41.2 | Very low | 68.6 | Low | 110 Ų | 110 | 96.6 Ų | 96.6 | 77% | 0.769 | 56% | 0.56 | S | S | * | * | trans | -53.7 | 106.4 | 163.4 | 50.8 | 0 | 0 | 0 | 0 | 107.1 | I178 | I178-S180 PolarHBondContact O-N 2.95Š| ||
| 181 | A | 45.5 | Very low | 66 | Low | 171 Ų | 171 | 105.4 Ų | 105.4 | 100% | 1.413 | 61% | 0.61 | S | S | * | * | trans | -71.5 | 0 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | T179 | T179-A181 PolarHBondContact O-N 3.18Š|
Retrieved 181 of 181 residues in 164.1 ms
(Link to these results)