| 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 | 96.6 | Very high | 98.1 | Very high | 22 Ų | 22 | 5.1 Ų | 5.1 | 11% | 0.108 | 3% | 0.027 | C | C | . | . | 0 | 139.9 | 0 | 175.8 | -178.8 | -73.8 | 0 | 0 | 109.6 | E56 A58 V106 K109 A110 A113 I114 | M1-E56 CarbonylContact C-O 3.49Å; M1-E56 WeakPolarHBondContact CA-O 3.45Å; M1-E56 HydrophobicContact CB-CB 4.38Å; M1-E56 HydrophobicContact CE-CB 4.12Å; M1-E56 WeakPolarHBondContact CE-OE2 3.37Å; M1-E56 HydrophobicContact CG-CB 4.35Å; M1-E56 WeakPolarHBondContact CG-O 3.29Å; M1-A58 HydrophobicContact CG-CB 4.33Å; M1-A58 HydrophobicContact SD-CB 3.89Å; M1-V106 HydrophobicContact SD-CB 3.95Å; M1-V106 HydrophobicContact SD-CG1 3.88Å; M1-V106 HydrophobicContact SD-CG2 4.47Å; M1-K109 HydrophobicContact CE-CB 4.48Å; M1-A110 HydrophobicContact CB-CB 4.11Å; M1-A110 HydrophobicContact CE-CB 4.09Å; M1-A110 HydrophobicContact SD-CB 3.97Å; M1-A113 HydrophobicContact CB-CB 4.06Å; M1-A113 HydrophobicContact CG-CB 4.4Å; M1-A113 WeakPolarHBondContact O-CA 3.25Å; M1-I114 PolarHBondContact O-N 2.64Å | |||
| 2 | L | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.5 | 166.7 | -59.7 | -179.5 | 0 | 0 | 0 | 109 | F4 L50 W55 E56 I57 A58 I114 I116 L143 L146 | L2-F4 HydrophobicContact CB-CD2 4.24Å; L2-F4 HydrophobicContact CB-CE2 3.56Å; L2-F4 HydrophobicContact CB-CZ 4.28Å; L2-F4 HydrophobicContact CD1-CE2 4.19Å; L2-F4 HydrophobicContact CD1-CZ 4.26Å; L2-L50 HydrophobicContact CD1-CD1 3.85Å; L2-W55 HydrophobicContact CD2-CE3 3.84Å; L2-W55 HydrophobicContact CD2-CZ3 3.75Å; L2-W55 HydrophobicContact CG-CD2 4.43Å; L2-W55 HydrophobicContact CG-CE3 3.78Å; L2-W55 HydrophobicContact CG-CZ3 4.23Å; L2-E56 PolarHBondContact N-O 3.12Å; L2-I57 HydrophobicContact CB-CD1 3.98Å; L2-I57 HydrophobicContact CD1-CD1 3.93Å; L2-I57 HydrophobicContact CG-CD1 4.23Å; L2-A58 PolarHBondContact O-N 2.98Å; L2-I114 HydrophobicContact CD2-CB 3.85Å; L2-I114 HydrophobicContact CD2-CD1 4.12Å; L2-I114 HydrophobicContact CD2-CG1 4.32Å; L2-I116 HydrophobicContact CB-CD1 4.27Å; L2-I116 HydrophobicContact CD2-CD1 4.49Å; L2-L143 HydrophobicContact CD1-CD2 3.66Å; L2-L146 HydrophobicContact CD1-CD1 4.31Å; L2-L146 HydrophobicContact CD2-CD1 3.87Å |
| 3 | A | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 115.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | A58 I60 I114 L115 I116 W126 | A3-A58 CarbonylContact C-O 3.5Å; A3-A58 WeakPolarHBondContact CA-O 3.34Å; A3-I60 HydrophobicContact CB-CD1 3.74Å; A3-I60 HydrophobicContact CB-CG1 4.35Å; A3-I114 PolarHBondContact N-O 3.03Å; A3-L115 HydrophobicContact CB-CD1 4.15Å; A3-L115 CarbonylContact O-C 3.59Å; A3-L115 WeakPolarHBondContact O-CA 3.45Å; A3-I116 PolarHBondContact O-N 3.2Å; A3-W126 HydrophobicContact CB-CH2 3.82Å; A3-W126 HydrophobicContact CB-CZ2 4.1Å |
| 4 | F | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 128 | -179.4 | -68.9 | -94.8 | 0 | 0 | 0 | 110.8 | L2 I10 I47 I57 A58 I59 I60 F88 I116 L139 L143 | L2-F4 HydrophobicContact CB-CD2 4.24Å; L2-F4 HydrophobicContact CB-CE2 3.56Å; L2-F4 HydrophobicContact CB-CZ 4.28Å; L2-F4 HydrophobicContact CD1-CE2 4.19Å; L2-F4 HydrophobicContact CD1-CZ 4.26Å; F4-I10 HydrophobicContact CD1-CG2 3.96Å; F4-I47 HydrophobicContact CZ-CD1 4.42Å; F4-I57 HydrophobicContact CD2-CG2 4.01Å; F4-I57 HydrophobicContact CE2-CD1 4.47Å; F4-I57 HydrophobicContact CE2-CG2 4.01Å; F4-A58 PolarHBondContact N-O 3.19Å; F4-I59 HydrophobicContact CB-CD1 4Å; F4-I59 CarbonylContact O-C 3.58Å; F4-I59 WeakPolarHBondContact O-CA 3.49Å; F4-I60 PolarHBondContact O-N 3.41Å; F4-F88 HydrophobicContact CD1-CZ 4.42Å; F4-F88 HydrophobicContact CG-CZ 4.37Å; F4-I116 HydrophobicContact CD1-CB 3.9Å; F4-I116 HydrophobicContact CD1-CD1 4.02Å; F4-I116 HydrophobicContact CD1-CG1 4.1Å; F4-I116 HydrophobicContact CD1-CG2 4.26Å; F4-I116 HydrophobicContact CD2-CD1 4.29Å; F4-I116 HydrophobicContact CE1-CB 4.18Å; F4-I116 HydrophobicContact CE1-CD1 3.8Å; F4-I116 HydrophobicContact CE1-CG1 3.89Å; F4-I116 HydrophobicContact CE1-CG2 4.44Å; F4-I116 HydrophobicContact CE2-CD1 4.1Å; F4-I116 HydrophobicContact CG-CD1 4.26Å; F4-I116 HydrophobicContact CZ-CD1 3.86Å; F4-I116 HydrophobicContact CZ-CG1 4.39Å; F4-L139 HydrophobicContact CE1-CD1 4.37Å; F4-L139 HydrophobicContact CE1-CD2 4.28Å; F4-L143 HydrophobicContact CE1-CD1 4.45Å; F4-L143 HydrophobicContact CZ-CD1 4.24Å; F4-L143 HydrophobicContact CZ-CD2 4.06Å |
| 5 | D | 98.6 | Very high | 98 | Very high | 9 Ų | 9 | 17.9 Ų | 17.9 | 5% | 0.048 | 10% | 0.103 | C | C | . | . | trans | -69.4 | 165.2 | 154.1 | -177.1 | 51.3 | 0 | 0 | 0 | 111.6 | D7 T9 K102 I116 D117 | D5-D7 PolarHBondContact OD2-N 3.35Å; D5-T9 HydrophobicContact CB-CG2 4.11Å; D5-T9 WeakPolarHBondContact CB-OG1 3.47Å; D5-T9 WeakPolarHBondContact O-CB 3.4Å; D5-T9 VanDerWaalsContact O-CG2 3.32Å; D5-T9 WeakPolarHBondContact O-CG2 3.49Å; D5-T9 PolarHBondContact OD2-OG1 3.07Å; D5-K102 IonicContact OD1-NZ 2.79Å; D5-K102 PolarHBondContact OD1-NZ 3.44Å; D5-I116 PolarHBondContact N-O 2.99Å; D5-D117 HydrophobicContact CB-CB 4.09Å; D5-D117 WeakPolarHBondContact CB-OD2 3.34Å | ||
| 6 | M | 98.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | trans | -101.4 | -64.5 | 174.5 | -66 | -169.3 | 70.9 | 0 | 0 | 113.5 | G8 T9 I10 A11 I59 T61 K79 W82 L83 F93 | M6-G8 PolarHBondContact O-N 3.18Å; M6-T9 PolarHBondContact O-N 2.93Å; M6-I10 HydrophobicContact CB-CG1 4.42Å; M6-I10 HydrophobicContact CG-CD1 4.2Å; M6-I10 HydrophobicContact CG-CG1 4.38Å; M6-I10 PolarHBondContact O-N 3.36Å; M6-A11 PolarHBondContact O-N 3.46Å; M6-I59 HydrophobicContact CG-CG2 3.61Å; M6-I59 HydrophobicContact SD-CG2 3.74Å; M6-T61 HydrophobicContact CG-CG2 4.19Å; M6-T61 HydrophobicContact SD-CG2 3.94Å; M6-K79 HydrophobicContact CE-CB 4.09Å; M6-K79 HydrophobicContact CE-CG 4.35Å; M6-K79 HydrophobicContact SD-CB 3.81Å; M6-K79 HydrophobicContact SD-CD 4.27Å; M6-K79 HydrophobicContact SD-CG 4.05Å; M6-W82 HydrophobicContact CE-CB 4.49Å; M6-W82 HydrophobicContact CE-CD2 4.29Å; M6-W82 HydrophobicContact CE-CE3 3.81Å; M6-L83 HydrophobicContact CE-CD1 4.42Å; M6-L83 HydrophobicContact CE-CD2 4.05Å; M6-L83 HydrophobicContact CE-CG 3.93Å; M6-L83 HydrophobicContact SD-CD1 4.38Å; M6-L83 HydrophobicContact SD-CG 4.5Å; M6-F93 HydrophobicContact SD-CE2 4.16Å | ||
| 7 | D | 98 | Very high | 98.1 | Very high | 18 Ų | 18 | 25.7 Ų | 25.7 | 10% | 0.096 | 15% | 0.145 | C | C | . | . | B | Isolated β-bridge | trans | -80.9 | 112.4 | -159 | -55.1 | -29.2 | 0 | 0 | 0 | 111.5 | D5 T9 L13 Y31 K79 | D5-D7 PolarHBondContact OD2-N 3.35Å; D7-T9 VanDerWaalsContact C-N 3.27Å; D7-L13 HydrophobicContact CB-CB 3.98Å; D7-L13 HydrophobicContact CB-CD2 3.68Å; D7-L13 HydrophobicContact CB-CG 4.49Å; D7-Y31 WeakPolarHBondContact OD2-CE1 3.39Å; D7-K79 IonicContact OD1-NZ 3.97Å; D7-K79 PolarHBondContact OD1-NZ 3.33Å; D7-K79 IonicContact OD2-NZ 3.57Å; D7-K79 PolarHBondContact OD2-NZ 3.25Å |
| 8 | G | 97.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 4.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | M6 A11 D118 | M6-G8 PolarHBondContact O-N 3.18Å; G8-A11 PolarHBondContact N-O 3.01Å; G8-D118 WeakPolarHBondContact O-CB 3.32Å |
| 9 | T | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -67.8 | -177.7 | -63.8 | 0 | 0 | 0 | 0 | 111.8 | D5 M6 D7 M37 W38 I116 D118 P134 | D5-T9 HydrophobicContact CB-CG2 4.11Å; D5-T9 WeakPolarHBondContact CB-OG1 3.47Å; D5-T9 WeakPolarHBondContact O-CB 3.4Å; D5-T9 VanDerWaalsContact O-CG2 3.32Å; D5-T9 WeakPolarHBondContact O-CG2 3.49Å; D5-T9 PolarHBondContact OD2-OG1 3.07Å; M6-T9 PolarHBondContact O-N 2.93Å; D7-T9 VanDerWaalsContact C-N 3.27Å; T9-M37 WeakPolarHBondContact O-CB 3.47Å; T9-M37 WeakPolarHBondContact O-CG 3.2Å; T9-W38 PolarHBondContact O-NE1 3.44Å; T9-I116 HydrophobicContact CG2-CG2 3.84Å; T9-D118 PolarHBondContact OG1-N 3.39Å; T9-D118 VanDerWaalsContact OG1-N 3.12Å; T9-P134 HydrophobicContact CG2-CG 4.07Å |
| 10 | I | 98.2 | Very high | 98 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -23.3 | 171.7 | 60 | 171.1 | 0 | 0 | 0 | 112.2 | F4 M6 P36 M37 I59 W82 L83 F88 | F4-I10 HydrophobicContact CD1-CG2 3.96Å; M6-I10 HydrophobicContact CB-CG1 4.42Å; M6-I10 HydrophobicContact CG-CD1 4.2Å; M6-I10 HydrophobicContact CG-CG1 4.38Å; M6-I10 PolarHBondContact O-N 3.36Å; I10-P36 WeakPolarHBondContact O-CA 3.43Å; I10-M37 PolarHBondContact O-N 2.83Å; I10-I59 HydrophobicContact CD1-CD1 4.33Å; I10-W82 HydrophobicContact CD1-CZ3 3.95Å; I10-W82 HydrophobicContact CG1-CH2 4.39Å; I10-W82 HydrophobicContact CG1-CZ3 4.23Å; I10-W82 WeakPolarHBondContact O-CH2 3.38Å; I10-L83 HydrophobicContact CD1-CD2 4.05Å; I10-F88 HydrophobicContact CB-CE2 4.25Å; I10-F88 HydrophobicContact CD1-CD1 4.47Å; I10-F88 HydrophobicContact CD1-CD2 4.02Å; I10-F88 HydrophobicContact CD1-CE1 4.27Å; I10-F88 HydrophobicContact CD1-CE2 3.76Å; I10-F88 HydrophobicContact CD1-CG 4.35Å; I10-F88 HydrophobicContact CD1-CZ 3.89Å; I10-F88 HydrophobicContact CG2-CE2 3.9Å; I10-F88 HydrophobicContact CG2-CZ 4.16Å |
| 11 | A | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 2% | 0.017 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | M6 G8 L13 A34 W82 | M6-A11 PolarHBondContact O-N 3.46Å; G8-A11 PolarHBondContact N-O 3.01Å; A11-L13 PolarHBondContact O-N 3.33Å; A11-A34 HydrophobicContact CB-CB 4.17Å; A11-W82 HydrophobicContact CB-CD2 4.21Å; A11-W82 HydrophobicContact CB-CH2 4.1Å; A11-W82 HydrophobicContact CB-CZ2 3.62Å |
| 12 | D | 98.2 | Very high | 98.1 | Very high | 57 Ų | 57 | 33.8 Ų | 33.8 | 31% | 0.305 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 64.3 | 179.1 | -173 | 15.4 | 0 | 0 | 0 | 111.3 | Y14 G15 K35 M37 | D12-Y14 PolarHBondContact O-N 2.89Å; D12-G15 PolarHBondContact O-N 3.28Å; D12-G15 PolarHBondContact OD1-N 2.96Å; D12-K35 WeakPolarHBondContact CB-O 3.48Å; D12-K35 PolarHBondContact N-O 2.92Å; D12-M37 HydrophobicContact CB-CG 4.17Å; D12-M37 HydrophobicContact CB-SD 3.52Å; D12-M37 VanDerWaalsContact CB-SD 3.52Å |
| 13 | L | 98.4 | Very high | 98 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -57.3 | -40 | 176.1 | 176.4 | 64.8 | 0 | 0 | 0 | 111 | D7 A11 G15 V16 W19 L23 P30 Y31 | D7-L13 HydrophobicContact CB-CB 3.98Å; D7-L13 HydrophobicContact CB-CD2 3.68Å; D7-L13 HydrophobicContact CB-CG 4.49Å; A11-L13 PolarHBondContact O-N 3.33Å; L13-G15 VanDerWaalsContact C-N 3.27Å; L13-G15 PolarHBondContact O-N 3.38Å; L13-V16 WeakPolarHBondContact O-CB 3.43Å; L13-V16 PolarHBondContact O-N 3.38Å; L13-W19 WeakPolarHBondContact O-CB 3.44Å; L13-L23 HydrophobicContact CD1-CD1 4.5Å; L13-L23 HydrophobicContact CD2-CD2 4.46Å; L13-P30 HydrophobicContact CD1-CB 3.56Å; L13-Y31 HydrophobicContact CD1-CD1 4.02Å; L13-Y31 HydrophobicContact CD1-CE1 4.21Å; L13-Y31 HydrophobicContact CD2-CD1 4.11Å; L13-Y31 HydrophobicContact CD2-CE1 3.63Å |
| 14 | Y | 97.3 | Very high | 97.9 | Very high | 100 Ų | 100 | 44.1 Ų | 44.1 | 39% | 0.392 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -74.1 | -18.6 | -174 | -53.5 | -50.4 | 0 | 0 | 0 | 113.1 | D12 W19 | D12-Y14 PolarHBondContact O-N 2.89Å; Y14-W19 HydrophobicContact CD1-CD2 4.21Å; Y14-W19 AromaticContact CD1-CE2 3.83Å; Y14-W19 HydrophobicContact CD1-CE3 4.32Å; Y14-W19 AromaticContact CD1-CH2 3.77Å; Y14-W19 HydrophobicContact CD1-CH2 3.77Å; Y14-W19 AromaticContact CD1-CZ2 3.61Å; Y14-W19 HydrophobicContact CD1-CZ2 3.61Å; Y14-W19 HydrophobicContact CD1-CZ3 4.12Å; Y14-W19 AromaticContact CE1-CH2 3.88Å; Y14-W19 HydrophobicContact CE1-CH2 3.88Å; Y14-W19 HydrophobicContact CE1-CZ2 4.2Å; Y14-W19 HydrophobicContact CE1-CZ3 4.12Å; Y14-W19 VanDerWaalsContact O-CD1 3.28Å; Y14-W19 PolarHBondContact O-NE1 3.3Å |
| 15 | G | 97.8 | Very high | 97.8 | Very high | 51 Ų | 51 | 51.9 Ų | 51.9 | 53% | 0.526 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -82 | -9.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D12 L13 N17 | D12-G15 PolarHBondContact O-N 3.28Å; D12-G15 PolarHBondContact OD1-N 2.96Å; L13-G15 VanDerWaalsContact C-N 3.27Å; L13-G15 PolarHBondContact O-N 3.38Å; G15-N17 PolarHBondContact O-N 3.43Å |
| 16 | V | 98.5 | Very high | 97.7 | Very high | 15 Ų | 15 | 55.4 Ų | 55.4 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -71.3 | 128 | 177.3 | 178 | 0 | 0 | 0 | 0 | 110.5 | L13 G18 W19 P30 E33 A34 | L13-V16 WeakPolarHBondContact O-CB 3.43Å; L13-V16 PolarHBondContact O-N 3.38Å; V16-G18 PolarHBondContact O-N 3.14Å; V16-W19 HydrophobicContact CB-CB 4.07Å; V16-W19 WeakPolarHBondContact O-CB 3.26Å; V16-W19 VanDerWaalsContact O-CD1 3.29Å; V16-W19 PolarHBondContact O-N 3.39Å; V16-W19 VanDerWaalsContact O-N 3.09Å; V16-P30 HydrophobicContact CB-CB 4.39Å; V16-P30 HydrophobicContact CG1-CB 4.07Å; V16-E33 HydrophobicContact CG1-CB 4.09Å; V16-E33 VanDerWaalsContact CG1-OE2 3.29Å; V16-E33 WeakPolarHBondContact CG1-OE2 3.47Å; V16-E33 HydrophobicContact CG2-CB 4.22Å; V16-A34 VanDerWaalsContact CG2-CA 3.46Å; V16-A34 HydrophobicContact CG2-CB 3.97Å |
| 17 | N | 98.3 | Very high | 97.6 | Very high | 154 Ų | 154 | 58.1 Ų | 58.1 | 82% | 0.824 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 125.4 | -178.8 | -173.6 | 24.4 | 0 | 0 | 0 | 111.5 | G15 W19 | G15-N17 PolarHBondContact O-N 3.43Å; N17-W19 PolarHBondContact O-N 2.85Å |
| 18 | G | 98.1 | Very high | 97.7 | Very high | 38 Ų | 38 | 58.1 Ų | 58.1 | 39% | 0.392 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 16.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | V16 L20 S21 K22 | V16-G18 PolarHBondContact O-N 3.14Å; G18-L20 VanDerWaalsContact C-N 3.31Å; G18-L20 PolarHBondContact O-N 2.94Å; G18-S21 WeakPolarHBondContact O-CB 3.49Å; G18-S21 PolarHBondContact O-N 3.3Å; G18-K22 PolarHBondContact O-N 2.97Å |
| 19 | W | 98.2 | Very high | 97.7 | Very high | 69 Ų | 69 | 59.6 Ų | 59.6 | 26% | 0.261 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -47.1 | -50.6 | -175.5 | 70.2 | -93.9 | 0 | 0 | 0 | 112.5 | L13 Y14 V16 N17 S21 K22 L23 P30 | L13-W19 WeakPolarHBondContact O-CB 3.44Å; Y14-W19 HydrophobicContact CD1-CD2 4.21Å; Y14-W19 AromaticContact CD1-CE2 3.83Å; Y14-W19 HydrophobicContact CD1-CE3 4.32Å; Y14-W19 AromaticContact CD1-CH2 3.77Å; Y14-W19 HydrophobicContact CD1-CH2 3.77Å; Y14-W19 AromaticContact CD1-CZ2 3.61Å; Y14-W19 HydrophobicContact CD1-CZ2 3.61Å; Y14-W19 HydrophobicContact CD1-CZ3 4.12Å; Y14-W19 AromaticContact CE1-CH2 3.88Å; Y14-W19 HydrophobicContact CE1-CH2 3.88Å; Y14-W19 HydrophobicContact CE1-CZ2 4.2Å; Y14-W19 HydrophobicContact CE1-CZ3 4.12Å; Y14-W19 VanDerWaalsContact O-CD1 3.28Å; Y14-W19 PolarHBondContact O-NE1 3.3Å; V16-W19 HydrophobicContact CB-CB 4.07Å; V16-W19 WeakPolarHBondContact O-CB 3.26Å; V16-W19 VanDerWaalsContact O-CD1 3.29Å; V16-W19 PolarHBondContact O-N 3.39Å; V16-W19 VanDerWaalsContact O-N 3.09Å; N17-W19 PolarHBondContact O-N 2.85Å; W19-S21 VanDerWaalsContact C-N 3.32Å; W19-S21 PolarHBondContact O-N 3.3Å; W19-K22 WeakPolarHBondContact O-CB 3.26Å; W19-K22 PolarHBondContact O-N 3.3Å; W19-L23 HydrophobicContact CE3-CD1 4.48Å; W19-L23 HydrophobicContact CE3-CD2 3.81Å; W19-L23 HydrophobicContact CZ3-CD2 3.95Å; W19-L23 WeakPolarHBondContact O-CD1 3.49Å; W19-L23 PolarHBondContact O-N 2.62Å; W19-P30 HydrophobicContact CB-CB 4.2Å |
| 20 | L | 97 | Very high | 97.7 | Very high | 75 Ų | 75 | 59.6 Ų | 59.6 | 39% | 0.393 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | -176.2 | -178.6 | 60.4 | 0 | 0 | 0 | 112.4 | G18 R24 | G18-L20 VanDerWaalsContact C-N 3.31Å; G18-L20 PolarHBondContact O-N 2.94Å; L20-R24 HydrophobicContact CD1-CG 4.49Å; L20-R24 VanDerWaalsContact O-CG 3.31Å; L20-R24 WeakPolarHBondContact O-CG 3.44Å; L20-R24 PolarHBondContact O-N 2.87Å; L20-R24 VanDerWaalsContact O-N 3.11Å |
| 21 | S | 97.3 | Very high | 97.7 | Very high | 63 Ų | 63 | 60 Ų | 60 | 44% | 0.441 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 177.4 | -172 | 0 | 0 | 0 | 0 | 111.1 | G18 W19 R24 K25 | G18-S21 WeakPolarHBondContact O-CB 3.49Å; G18-S21 PolarHBondContact O-N 3.3Å; W19-S21 VanDerWaalsContact C-N 3.32Å; W19-S21 PolarHBondContact O-N 3.3Å; S21-R24 PolarHBondContact O-N 3.38Å; S21-K25 WeakPolarHBondContact O-CG 3.27Å; S21-K25 PolarHBondContact O-N 2.86Å |
| 22 | K | 97.8 | Very high | 97.7 | Very high | 49 Ų | 49 | 63.1 Ų | 63.1 | 21% | 0.213 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 175.5 | -73.5 | -179.4 | 165.2 | -162.2 | 0 | 111.3 | G18 W19 R24 K25 E26 D27 S29 P30 E33 | G18-K22 PolarHBondContact O-N 2.97Å; W19-K22 WeakPolarHBondContact O-CB 3.26Å; W19-K22 PolarHBondContact O-N 3.3Å; K22-R24 VanDerWaalsContact C-N 3.31Å; K22-R24 PolarHBondContact O-N 2.95Å; K22-K25 CarbonylContact O-C 3.53Å; K22-K25 WeakPolarHBondContact O-CA 3.25Å; K22-K25 PolarHBondContact O-N 3.22Å; K22-E26 PolarHBondContact O-N 2.75Å; K22-D27 HydrophobicContact CB-CB 3.95Å; K22-D27 WeakPolarHBondContact CD-OD2 3.34Å; K22-D27 HydrophobicContact CG-CB 4.48Å; K22-D27 WeakPolarHBondContact CG-OD2 3.34Å; K22-D27 WeakPolarHBondContact O-CB 3.28Å; K22-D27 PolarHBondContact O-N 2.83Å; K22-S29 PolarHBondContact NZ-OG 3.09Å; K22-S29 VanDerWaalsContact NZ-OG 3.07Å; K22-P30 HydrophobicContact CB-CG 3.57Å; K22-P30 HydrophobicContact CD-CG 3.47Å; K22-P30 VanDerWaalsContact CD-CG 3.47Å; K22-P30 HydrophobicContact CG-CG 4.18Å; K22-E33 IonicContact NZ-OE1 2.67Å; K22-E33 PolarHBondContact NZ-OE1 2.98Å; K22-E33 IonicContact NZ-OE2 2.67Å; K22-E33 PolarHBondContact NZ-OE2 3.46Å |
| 23 | L | 97.2 | Very high | 97.7 | Very high | 20 Ų | 20 | 64.8 Ų | 64.8 | 11% | 0.105 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.6 | -41.9 | 178.7 | -89.8 | 62 | 0 | 0 | 0 | 112.5 | L13 W19 K25 E26 P30 Y31 Y71 | L13-L23 HydrophobicContact CD1-CD1 4.5Å; L13-L23 HydrophobicContact CD2-CD2 4.46Å; W19-L23 HydrophobicContact CE3-CD1 4.48Å; W19-L23 HydrophobicContact CE3-CD2 3.81Å; W19-L23 HydrophobicContact CZ3-CD2 3.95Å; W19-L23 WeakPolarHBondContact O-CD1 3.49Å; W19-L23 PolarHBondContact O-N 2.62Å; L23-K25 PolarHBondContact O-N 2.82Å; L23-E26 PolarHBondContact O-N 3.49Å; L23-E26 VanDerWaalsContact O-N 3.1Å; L23-P30 HydrophobicContact CD1-CB 3.78Å; L23-P30 HydrophobicContact CD1-CG 3.63Å; L23-Y31 HydrophobicContact CD1-CE2 4.14Å; L23-Y31 WeakPolarHBondContact CD2-OH 3.36Å; L23-Y31 HydrophobicContact CG-CE2 4.13Å; L23-Y71 WeakPolarHBondContact CA-OH 3.44Å |
| 24 | R | 95.3 | Very high | 97.7 | Very high | 198 Ų | 198 | 64.7 Ų | 64.7 | 75% | 0.747 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -66.6 | -19.7 | 176.6 | -75.1 | 177.2 | 176.8 | -174.6 | 0 | 113.8 | L20 S21 K22 | L20-R24 HydrophobicContact CD1-CG 4.49Å; L20-R24 VanDerWaalsContact O-CG 3.31Å; L20-R24 WeakPolarHBondContact O-CG 3.44Å; L20-R24 PolarHBondContact O-N 2.87Å; L20-R24 VanDerWaalsContact O-N 3.11Å; S21-R24 PolarHBondContact O-N 3.38Å; K22-R24 VanDerWaalsContact C-N 3.31Å; K22-R24 PolarHBondContact O-N 2.95Å |
| 25 | K | 96.3 | Very high | 97.8 | Very high | 162 Ų | 162 | 67.2 Ų | 67.2 | 70% | 0.704 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 12 | 174.8 | -67.6 | 175.3 | 180 | 177.2 | 0 | 112.4 | S21 K22 L23 D27 | S21-K25 WeakPolarHBondContact O-CG 3.27Å; S21-K25 PolarHBondContact O-N 2.86Å; K22-K25 CarbonylContact O-C 3.53Å; K22-K25 WeakPolarHBondContact O-CA 3.25Å; K22-K25 PolarHBondContact O-N 3.22Å; L23-K25 PolarHBondContact O-N 2.82Å; K25-D27 PolarHBondContact O-N 2.95Å |
| 26 | E | 97.2 | Very high | 97.8 | Very high | 84 Ų | 84 | 66.1 Ų | 66.1 | 39% | 0.393 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 30.4 | -175.1 | -57 | -154.2 | 140.1 | 0 | 0 | 114 | K22 L23 S68 Y71 | K22-E26 PolarHBondContact O-N 2.75Å; L23-E26 PolarHBondContact O-N 3.49Å; L23-E26 VanDerWaalsContact O-N 3.1Å; E26-S68 VanDerWaalsContact CD-OG 3.24Å; E26-S68 WeakPolarHBondContact OE1-CB 3.38Å; E26-S68 PolarHBondContact OE1-N 2.96Å; E26-S68 PolarHBondContact OE1-OG 2.84Å; E26-S68 VanDerWaalsContact OE1-OG 3.07Å; E26-S68 PolarHBondContact OE2-OG 2.94Å; E26-Y71 HydrophobicContact CB-CD1 3.71Å; E26-Y71 HydrophobicContact CB-CD2 3.79Å; E26-Y71 HydrophobicContact CB-CE1 4.16Å; E26-Y71 HydrophobicContact CB-CE2 4.24Å; E26-Y71 HydrophobicContact CB-CG 3.54Å; E26-Y71 HydrophobicContact CG-CD1 3.57Å; E26-Y71 HydrophobicContact CG-CE1 4.13Å; E26-Y71 HydrophobicContact CG-CG 3.84Å; E26-Y71 WeakPolarHBondContact O-CD2 3.3Å; E26-Y71 VanDerWaalsContact O-CE2 3.26Å; E26-Y71 WeakPolarHBondContact O-CE2 3.09Å |
| 27 | D | 97.5 | Very high | 97.7 | Very high | 59 Ų | 59 | 68.4 Ų | 68.4 | 32% | 0.316 | 34% | 0.341 | S | S | . | . | trans | -89.5 | 113.1 | 172.2 | 174.9 | 7.3 | 0 | 0 | 0 | 110.1 | K22 K25 S29 P30 | K22-D27 HydrophobicContact CB-CB 3.95Å; K22-D27 WeakPolarHBondContact CD-OD2 3.34Å; K22-D27 HydrophobicContact CG-CB 4.48Å; K22-D27 WeakPolarHBondContact CG-OD2 3.34Å; K22-D27 WeakPolarHBondContact O-CB 3.28Å; K22-D27 PolarHBondContact O-N 2.83Å; K25-D27 PolarHBondContact O-N 2.95Å; D27-S29 VanDerWaalsContact C-N 3.32Å; D27-S29 WeakPolarHBondContact OD1-CB 3.21Å; D27-S29 PolarHBondContact OD1-N 3.2Å; D27-S29 PolarHBondContact OD1-OG 3.28Å; D27-S29 PolarHBondContact OD2-OG 3.47Å; D27-P30 WeakPolarHBondContact O-CD 3.48Å | ||
| 28 | A | 98.1 | Very high | 97.7 | Very high | 17 Ų | 17 | 63.4 Ų | 63.4 | 14% | 0.14 | 31% | 0.31 | C | S | . | . | trans | -81.7 | -6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P30 Y31 Y71 A74 V75 A78 | A28-P30 VanDerWaalsContact C-N 3.3Å; A28-Y31 HydrophobicContact CB-CD2 4.43Å; A28-Y31 WeakPolarHBondContact O-CD2 3.18Å; A28-Y31 PolarHBondContact O-N 3.18Å; A28-Y71 HydrophobicContact CB-CD2 4.44Å; A28-Y71 HydrophobicContact CB-CE2 3.9Å; A28-A74 HydrophobicContact CB-CB 4.04Å; A28-V75 HydrophobicContact CB-CG2 4.26Å; A28-A78 HydrophobicContact CB-CB 4.26Å | ||
| 29 | S | 98.2 | Very high | 97.6 | Very high | 32 Ų | 32 | 64.8 Ų | 64.8 | 22% | 0.224 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -53.2 | -35.9 | -177.6 | 65.1 | 0 | 0 | 0 | 0 | 114.5 | K22 D27 Y31 L32 E33 | K22-S29 PolarHBondContact NZ-OG 3.09Å; K22-S29 VanDerWaalsContact NZ-OG 3.07Å; D27-S29 VanDerWaalsContact C-N 3.32Å; D27-S29 WeakPolarHBondContact OD1-CB 3.21Å; D27-S29 PolarHBondContact OD1-N 3.2Å; D27-S29 PolarHBondContact OD1-OG 3.28Å; D27-S29 PolarHBondContact OD2-OG 3.47Å; S29-Y31 PolarHBondContact O-N 3.25Å; S29-L32 PolarHBondContact O-N 3.15Å; S29-E33 WeakPolarHBondContact CB-OE1 3.4Å; S29-E33 WeakPolarHBondContact O-CB 3.18Å; S29-E33 WeakPolarHBondContact O-CG 3.18Å; S29-E33 PolarHBondContact O-N 2.87Å; S29-E33 PolarHBondContact OG-OE1 2.98Å |
| 30 | P | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.9 | -32.8 | -179.5 | -29 | 41 | 0 | 0 | 0 | 114.2 | L13 V16 W19 K22 L23 D27 A28 L32 E33 A34 | L13-P30 HydrophobicContact CD1-CB 3.56Å; V16-P30 HydrophobicContact CB-CB 4.39Å; V16-P30 HydrophobicContact CG1-CB 4.07Å; W19-P30 HydrophobicContact CB-CB 4.2Å; K22-P30 HydrophobicContact CB-CG 3.57Å; K22-P30 HydrophobicContact CD-CG 3.47Å; K22-P30 VanDerWaalsContact CD-CG 3.47Å; K22-P30 HydrophobicContact CG-CG 4.18Å; L23-P30 HydrophobicContact CD1-CB 3.78Å; L23-P30 HydrophobicContact CD1-CG 3.63Å; D27-P30 WeakPolarHBondContact O-CD 3.48Å; A28-P30 VanDerWaalsContact C-N 3.3Å; P30-L32 PolarHBondContact O-N 3.29Å; P30-E33 PolarHBondContact O-N 3.46Å; P30-A34 WeakPolarHBondContact O-CB 3.35Å; P30-A34 PolarHBondContact O-N 3.34Å |
| 31 | Y | 98.5 | Very high | 97.5 | Very high | 10 Ų | 10 | 64.5 Ų | 64.5 | 4% | 0.039 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.1 | -24 | 178.8 | -61.8 | -73.2 | 0 | 0 | 0 | 112.7 | D7 L13 L23 A28 S29 S64 V75 K79 | D7-Y31 WeakPolarHBondContact OD2-CE1 3.39Å; L13-Y31 HydrophobicContact CD1-CD1 4.02Å; L13-Y31 HydrophobicContact CD1-CE1 4.21Å; L13-Y31 HydrophobicContact CD2-CD1 4.11Å; L13-Y31 HydrophobicContact CD2-CE1 3.63Å; L23-Y31 HydrophobicContact CD1-CE2 4.14Å; L23-Y31 WeakPolarHBondContact CD2-OH 3.36Å; L23-Y31 HydrophobicContact CG-CE2 4.13Å; A28-Y31 HydrophobicContact CB-CD2 4.43Å; A28-Y31 WeakPolarHBondContact O-CD2 3.18Å; A28-Y31 PolarHBondContact O-N 3.18Å; S29-Y31 PolarHBondContact O-N 3.25Å; Y31-S64 WeakPolarHBondContact OH-CB 3.45Å; Y31-V75 HydrophobicContact CD1-CG1 4.36Å; Y31-V75 HydrophobicContact CD2-CB 4.31Å; Y31-V75 HydrophobicContact CD2-CG1 3.85Å; Y31-V75 HydrophobicContact CD2-CG2 3.93Å; Y31-V75 HydrophobicContact CE1-CG1 4.15Å; Y31-V75 HydrophobicContact CE2-CB 4.15Å; Y31-V75 HydrophobicContact CE2-CG1 3.64Å; Y31-V75 HydrophobicContact CE2-CG2 3.49Å; Y31-V75 VanDerWaalsContact CE2-CG2 3.49Å; Y31-V75 HydrophobicContact CG-CG1 4.21Å; Y31-K79 HydrophobicContact CD1-CG 4.21Å; Y31-K79 HydrophobicContact CG-CG 4.37Å |
| 32 | L | 98 | Very high | 97.6 | Very high | 68 Ų | 68 | 66.8 Ų | 66.8 | 36% | 0.356 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -95.6 | -32.3 | 176 | -177 | 61.4 | 0 | 0 | 0 | 112.5 | S29 P30 A81 K85 | S29-L32 PolarHBondContact O-N 3.15Å; P30-L32 PolarHBondContact O-N 3.29Å; L32-A81 HydrophobicContact CD1-CB 3.99Å; L32-K85 HydrophobicContact CD1-CD 4.25Å; L32-K85 PolarHBondContact O-NZ 2.89Å |
| 33 | E | 98.3 | Very high | 97.6 | Very high | 93 Ų | 93 | 64.7 Ų | 64.7 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -72.1 | -29.5 | 179.2 | -73.1 | 172.7 | -167 | 0 | 0 | 113.1 | V16 K22 S29 P30 K35 | V16-E33 HydrophobicContact CG1-CB 4.09Å; V16-E33 VanDerWaalsContact CG1-OE2 3.29Å; V16-E33 WeakPolarHBondContact CG1-OE2 3.47Å; V16-E33 HydrophobicContact CG2-CB 4.22Å; K22-E33 IonicContact NZ-OE1 2.67Å; K22-E33 PolarHBondContact NZ-OE1 2.98Å; K22-E33 IonicContact NZ-OE2 2.67Å; K22-E33 PolarHBondContact NZ-OE2 3.46Å; S29-E33 WeakPolarHBondContact CB-OE1 3.4Å; S29-E33 WeakPolarHBondContact O-CB 3.18Å; S29-E33 WeakPolarHBondContact O-CG 3.18Å; S29-E33 PolarHBondContact O-N 2.87Å; S29-E33 PolarHBondContact OG-OE1 2.98Å; P30-E33 PolarHBondContact O-N 3.46Å; E33-K35 PolarHBondContact O-N 2.96Å |
| 34 | A | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -47.9 | 133.7 | -180 | 0 | 0 | 0 | 0 | 0 | 111.8 | A11 V16 P30 W82 | A11-A34 HydrophobicContact CB-CB 4.17Å; V16-A34 VanDerWaalsContact CG2-CA 3.46Å; V16-A34 HydrophobicContact CG2-CB 3.97Å; P30-A34 WeakPolarHBondContact O-CB 3.35Å; P30-A34 PolarHBondContact O-N 3.34Å; A34-W82 PolarHBondContact O-NE1 3.46Å |
| 35 | K | 98.3 | Very high | 97.8 | Very high | 153 Ų | 153 | 60.2 Ų | 60.2 | 67% | 0.665 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 158.4 | 172.1 | -68.6 | -179 | -179.2 | 179.1 | 0 | 109.8 | D12 E33 | D12-K35 WeakPolarHBondContact CB-O 3.48Å; D12-K35 PolarHBondContact N-O 2.92Å; E33-K35 PolarHBondContact O-N 2.96Å |
| 36 | P | 98.3 | Very high | 97.9 | Very high | 29 Ų | 29 | 53.4 Ų | 53.4 | 19% | 0.188 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 138.9 | 167.9 | -24.7 | 36.2 | 0 | 0 | 0 | 111.1 | I10 W38 V40 W82 W86 | I10-P36 WeakPolarHBondContact O-CA 3.43Å; P36-W38 VanDerWaalsContact CB-O 3.3Å; P36-W38 WeakPolarHBondContact CB-O 3.33Å; P36-W38 PolarHBondContact O-N 3.26Å; P36-V40 HydrophobicContact CB-CB 3.99Å; P36-V40 HydrophobicContact CB-CG2 4.49Å; P36-V40 HydrophobicContact CG-CB 3.98Å; P36-V40 HydrophobicContact CG-CG1 4.23Å; P36-V40 HydrophobicContact CG-CG2 4.37Å; P36-W82 HydrophobicContact CB-CZ2 4.4Å; P36-W82 HydrophobicContact CG-CZ2 4.17Å; P36-W86 VanDerWaalsContact CD-CZ2 3.46Å; P36-W86 HydrophobicContact CG-CD2 3.62Å; P36-W86 HydrophobicContact CG-CE3 3.75Å; P36-W86 HydrophobicContact CG-CG 4.16Å; P36-W86 HydrophobicContact CG-CH2 4.06Å; P36-W86 HydrophobicContact CG-CZ2 3.97Å; P36-W86 HydrophobicContact CG-CZ3 3.96Å |
| 37 | M | 97 | Very high | 97.9 | Very high | 63 Ų | 63 | 49.4 Ų | 49.4 | 31% | 0.31 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -69.7 | -21.4 | 173.5 | -77.5 | -69.4 | -61.9 | 0 | 0 | 112.6 | T9 I10 D12 | T9-M37 WeakPolarHBondContact O-CB 3.47Å; T9-M37 WeakPolarHBondContact O-CG 3.2Å; I10-M37 PolarHBondContact O-N 2.83Å; D12-M37 HydrophobicContact CB-CG 4.17Å; D12-M37 HydrophobicContact CB-SD 3.52Å; D12-M37 VanDerWaalsContact CB-SD 3.52Å |
| 38 | W | 97 | Very high | 98 | Very high | 49 Ų | 49 | 49.9 Ų | 49.9 | 19% | 0.186 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -136.6 | 169.8 | -171.9 | -59.1 | 93.1 | 0 | 0 | 0 | 109.7 | T9 P36 V40 L43 P134 C137 D138 L139 I140 | T9-W38 PolarHBondContact O-NE1 3.44Å; P36-W38 VanDerWaalsContact CB-O 3.3Å; P36-W38 WeakPolarHBondContact CB-O 3.33Å; P36-W38 PolarHBondContact O-N 3.26Å; W38-V40 PolarHBondContact O-N 2.94Å; W38-L43 HydrophobicContact CB-CD1 3.46Å; W38-L43 VanDerWaalsContact CB-CD1 3.46Å; W38-L43 HydrophobicContact CB-CG 4.33Å; W38-L43 HydrophobicContact CG-CD1 3.97Å; W38-P134 HydrophobicContact CZ2-CB 3.86Å; W38-P134 WeakPolarHBondContact CZ2-O 3.48Å; W38-C137 WeakPolarHBondContact CH2-O 3.23Å; W38-D138 HydrophobicContact CZ3-CB 4.47Å; W38-L139 HydrophobicContact CD2-CB 3.88Å; W38-L139 VanDerWaalsContact CE2-CB 3.47Å; W38-L139 HydrophobicContact CE3-CB 4.21Å; W38-L139 HydrophobicContact CG-CD2 4.42Å; W38-L139 HydrophobicContact CH2-CB 3.9Å; W38-L139 HydrophobicContact CZ2-CB 3.48Å; W38-L139 VanDerWaalsContact CZ2-CB 3.48Å; W38-L139 HydrophobicContact CZ3-CB 4.22Å; W38-I140 HydrophobicContact CE3-CD1 4.48Å; W38-I140 HydrophobicContact CE3-CG1 4.31Å |
| 39 | D | 97.6 | Very high | 98 | Very high | 67 Ų | 67 | 53.1 Ų | 53.1 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | trans | -60.3 | 104 | 168 | -174.8 | -29.1 | 0 | 0 | 0 | 109.5 | D41 K42 L43 I140 | D39-D41 VanDerWaalsContact C-N 3.32Å; D39-D41 PolarHBondContact O-N 3.23Å; D39-D41 PolarHBondContact OD1-N 2.97Å; D39-K42 HydrophobicContact CB-CB 4.21Å; D39-K42 HydrophobicContact CB-CD 4.12Å; D39-K42 HydrophobicContact CB-CG 4.32Å; D39-K42 PolarHBondContact O-N 2.97Å; D39-K42 PolarHBondContact OD1-N 3.37Å; D39-K42 VanDerWaalsContact OD2-CD 3.28Å; D39-K42 WeakPolarHBondContact OD2-CD 3.41Å; D39-K42 WeakPolarHBondContact OD2-CE 3.3Å; D39-K42 IonicContact OD2-NZ 2.64Å; D39-L43 WeakPolarHBondContact O-CB 3.38Å; D39-L43 PolarHBondContact O-N 3.12Å; D39-I140 HydrophobicContact CB-CD1 3.93Å | ||
| 40 | V | 95.9 | Very high | 98 | Very high | 16 Ų | 16 | 51.6 Ų | 51.6 | 10% | 0.097 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.8 | -29.3 | -170.6 | 73.2 | 0 | 0 | 0 | 0 | 112.3 | P36 W38 L43 N44 W86 | P36-V40 HydrophobicContact CB-CB 3.99Å; P36-V40 HydrophobicContact CB-CG2 4.49Å; P36-V40 HydrophobicContact CG-CB 3.98Å; P36-V40 HydrophobicContact CG-CG1 4.23Å; P36-V40 HydrophobicContact CG-CG2 4.37Å; W38-V40 PolarHBondContact O-N 2.94Å; V40-L43 PolarHBondContact O-N 3.06Å; V40-N44 VanDerWaalsContact O-CB 3.26Å; V40-N44 WeakPolarHBondContact O-CB 3.45Å; V40-N44 PolarHBondContact O-N 3.11Å; V40-N44 PolarHBondContact O-ND2 3.03Å; V40-N44 PolarHBondContact O-OD1 3.19Å; V40-W86 HydrophobicContact CG1-CE3 3.94Å; V40-W86 HydrophobicContact CG1-CZ3 4.44Å; V40-W86 HydrophobicContact CG2-CB 4.03Å |
| 41 | D | 97.4 | Very high | 98 | Very high | 122 Ų | 122 | 54.1 Ų | 54.1 | 65% | 0.652 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -68.7 | -45.1 | 178.1 | -66.8 | -33.4 | 0 | 0 | 0 | 109.8 | D39 N44 E45 | D39-D41 VanDerWaalsContact C-N 3.32Å; D39-D41 PolarHBondContact O-N 3.23Å; D39-D41 PolarHBondContact OD1-N 2.97Å; D41-N44 PolarHBondContact O-N 3.42Å; D41-E45 WeakPolarHBondContact O-CB 3.31Å; D41-E45 PolarHBondContact O-N 2.83Å |
| 42 | K | 97.9 | Very high | 98 | Very high | 111 Ų | 111 | 61.5 Ų | 61.5 | 48% | 0.483 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 173.8 | -69.8 | -178.6 | -173.1 | 169.1 | 0 | 112.6 | D39 E45 L46 I140 | D39-K42 HydrophobicContact CB-CB 4.21Å; D39-K42 HydrophobicContact CB-CD 4.12Å; D39-K42 HydrophobicContact CB-CG 4.32Å; D39-K42 PolarHBondContact O-N 2.97Å; D39-K42 PolarHBondContact OD1-N 3.37Å; D39-K42 VanDerWaalsContact OD2-CD 3.28Å; D39-K42 WeakPolarHBondContact OD2-CD 3.41Å; D39-K42 WeakPolarHBondContact OD2-CE 3.3Å; D39-K42 IonicContact OD2-NZ 2.64Å; K42-E45 PolarHBondContact O-N 2.81Å; K42-L46 WeakPolarHBondContact O-CG 3.41Å; K42-L46 PolarHBondContact O-N 2.63Å; K42-I140 HydrophobicContact CB-CD1 4.13Å; K42-I140 HydrophobicContact CD-CD1 4.25Å |
| 43 | L | 97.4 | Very high | 98 | Very high | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.3 | -50.2 | 175.1 | -107 | 168.3 | 0 | 0 | 0 | 110.9 | W38 D39 V40 E45 L46 I47 L139 L143 | W38-L43 HydrophobicContact CB-CD1 3.46Å; W38-L43 VanDerWaalsContact CB-CD1 3.46Å; W38-L43 HydrophobicContact CB-CG 4.33Å; W38-L43 HydrophobicContact CG-CD1 3.97Å; D39-L43 WeakPolarHBondContact O-CB 3.38Å; D39-L43 PolarHBondContact O-N 3.12Å; V40-L43 PolarHBondContact O-N 3.06Å; L43-E45 VanDerWaalsContact C-N 3.32Å; L43-E45 PolarHBondContact O-N 3.25Å; L43-L46 PolarHBondContact O-N 2.86Å; L43-I47 HydrophobicContact CD2-CD1 3.82Å; L43-I47 HydrophobicContact CD2-CG1 4.37Å; L43-I47 WeakPolarHBondContact O-CB 3.37Å; L43-I47 WeakPolarHBondContact O-CG1 3.44Å; L43-I47 PolarHBondContact O-N 3.03Å; L43-L139 HydrophobicContact CD2-CD2 4.18Å; L43-L139 HydrophobicContact CD2-CG 4.44Å; L43-L143 HydrophobicContact CD2-CD1 3.43Å; L43-L143 VanDerWaalsContact CD2-CD1 3.43Å |
| 44 | N | 98.3 | Very high | 97.9 | Very high | 19 Ų | 19 | 60 Ų | 60 | 10% | 0.102 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.3 | -40.1 | -178.6 | -69.2 | -9.4 | 0 | 0 | 0 | 111.3 | V40 D41 N48 W86 G87 F88 P89 | V40-N44 VanDerWaalsContact O-CB 3.26Å; V40-N44 WeakPolarHBondContact O-CB 3.45Å; V40-N44 PolarHBondContact O-N 3.11Å; V40-N44 PolarHBondContact O-ND2 3.03Å; V40-N44 PolarHBondContact O-OD1 3.19Å; D41-N44 PolarHBondContact O-N 3.42Å; N44-N48 WeakPolarHBondContact O-CB 3.47Å; N44-N48 VanDerWaalsContact O-CG 3.3Å; N44-N48 PolarHBondContact O-N 2.93Å; N44-N48 PolarHBondContact O-ND2 3.46Å; N44-W86 PolarHBondContact ND2-O 3.4Å; N44-G87 PolarHBondContact ND2-O 3.34Å; N44-F88 WeakPolarHBondContact OD1-CA 3.33Å; N44-P89 HydrophobicContact CB-CG 4.33Å; N44-P89 VanDerWaalsContact OD1-CD 3.25Å; N44-P89 WeakPolarHBondContact OD1-CD 3.29Å |
| 45 | E | 98.4 | Very high | 97.8 | Very high | 105 Ų | 105 | 63.2 Ų | 63.2 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.7 | -51.8 | 174.5 | -171.3 | -170.3 | 157.3 | 0 | 0 | 111.5 | D41 K42 L43 N48 K49 | D41-E45 WeakPolarHBondContact O-CB 3.31Å; D41-E45 PolarHBondContact O-N 2.83Å; K42-E45 PolarHBondContact O-N 2.81Å; L43-E45 VanDerWaalsContact C-N 3.32Å; L43-E45 PolarHBondContact O-N 3.25Å; E45-N48 PolarHBondContact O-N 2.83Å; E45-K49 WeakPolarHBondContact O-CG 3.45Å; E45-K49 PolarHBondContact O-N 3Å; E45-K49 VanDerWaalsContact OE1-CE 3.25Å; E45-K49 WeakPolarHBondContact OE1-CE 3.49Å; E45-K49 IonicContact OE1-NZ 2.64Å; E45-K49 PolarHBondContact OE1-NZ 2.87Å |
| 46 | L | 98.5 | Very high | 97.8 | Very high | 19 Ų | 19 | 60.2 Ų | 60.2 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.9 | -45.1 | -180 | -74.3 | 173.3 | 0 | 0 | 0 | 112 | K42 L43 N48 K49 L50 I140 L143 A144 L147 | K42-L46 WeakPolarHBondContact O-CG 3.41Å; K42-L46 PolarHBondContact O-N 2.63Å; L43-L46 PolarHBondContact O-N 2.86Å; L46-N48 VanDerWaalsContact C-N 3.3Å; L46-N48 PolarHBondContact O-N 3.01Å; L46-K49 PolarHBondContact O-N 2.89Å; L46-L50 WeakPolarHBondContact O-CB 3.5Å; L46-L50 WeakPolarHBondContact O-CG 3.4Å; L46-L50 PolarHBondContact O-N 2.84Å; L46-I140 HydrophobicContact CD1-CB 4.44Å; L46-I140 HydrophobicContact CD1-CG2 3.73Å; L46-I140 WeakPolarHBondContact CD1-O 3.49Å; L46-L143 HydrophobicContact CB-CB 4.39Å; L46-L143 HydrophobicContact CD1-CB 4.15Å; L46-A144 HydrophobicContact CD1-CB 4.33Å; L46-A144 HydrophobicContact CD2-CB 4.05Å; L46-L147 HydrophobicContact CD2-CD1 3.69Å |
| 47 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 178 | -69.8 | 169 | 0 | 0 | 0 | 110.3 | F4 L43 L50 K51 I57 F88 P89 L143 | F4-I47 HydrophobicContact CZ-CD1 4.42Å; L43-I47 HydrophobicContact CD2-CD1 3.82Å; L43-I47 HydrophobicContact CD2-CG1 4.37Å; L43-I47 WeakPolarHBondContact O-CB 3.37Å; L43-I47 WeakPolarHBondContact O-CG1 3.44Å; L43-I47 PolarHBondContact O-N 3.03Å; I47-L50 PolarHBondContact O-N 3.39Å; I47-K51 HydrophobicContact CG2-CD 4.11Å; I47-K51 HydrophobicContact CG2-CG 4.44Å; I47-K51 VanDerWaalsContact O-CG 3.27Å; I47-K51 WeakPolarHBondContact O-CG 3.48Å; I47-K51 PolarHBondContact O-N 3.33Å; I47-I57 HydrophobicContact CG2-CD1 3.99Å; I47-I57 HydrophobicContact CG2-CG1 3.76Å; I47-I57 HydrophobicContact CG2-CG2 4.3Å; I47-F88 HydrophobicContact CD1-CD2 4.41Å; I47-F88 HydrophobicContact CD1-CE1 3.87Å; I47-F88 HydrophobicContact CD1-CE2 3.62Å; I47-F88 HydrophobicContact CD1-CZ 3.31Å; I47-P89 HydrophobicContact CB-CG 4.37Å; I47-P89 HydrophobicContact CG2-CB 3.85Å; I47-P89 HydrophobicContact CG2-CG 4.03Å; I47-L143 HydrophobicContact CG1-CD1 4.35Å |
| 48 | N | 98.6 | Very high | 97.8 | Very high | 69 Ų | 69 | 55.9 Ų | 55.9 | 37% | 0.369 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 176.8 | -78.8 | -43.5 | 0 | 0 | 0 | 112.5 | N44 E45 L46 K51 Q52 P89 | N44-N48 WeakPolarHBondContact O-CB 3.47Å; N44-N48 VanDerWaalsContact O-CG 3.3Å; N44-N48 PolarHBondContact O-N 2.93Å; N44-N48 PolarHBondContact O-ND2 3.46Å; E45-N48 PolarHBondContact O-N 2.83Å; L46-N48 VanDerWaalsContact C-N 3.3Å; L46-N48 PolarHBondContact O-N 3.01Å; N48-K51 PolarHBondContact O-N 3.47Å; N48-Q52 WeakPolarHBondContact O-CG 3.42Å; N48-Q52 PolarHBondContact O-N 2.99Å; N48-P89 WeakPolarHBondContact OD1-CG 3.48Å |
| 49 | K | 98.7 | Very high | 97.9 | Very high | 86 Ų | 86 | 53.5 Ų | 53.5 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 173.2 | -69.9 | 176.7 | -175.4 | 169 | 0 | 111.6 | E45 L46 K51 Q52 A53 L147 | E45-K49 WeakPolarHBondContact O-CG 3.45Å; E45-K49 PolarHBondContact O-N 3Å; E45-K49 VanDerWaalsContact OE1-CE 3.25Å; E45-K49 WeakPolarHBondContact OE1-CE 3.49Å; E45-K49 IonicContact OE1-NZ 2.64Å; E45-K49 PolarHBondContact OE1-NZ 2.87Å; L46-K49 PolarHBondContact O-N 2.89Å; K49-K51 VanDerWaalsContact C-N 3.35Å; K49-K51 PolarHBondContact O-N 3.48Å; K49-Q52 WeakPolarHBondContact O-CB 3.33Å; K49-Q52 PolarHBondContact O-N 2.86Å; K49-A53 PolarHBondContact O-N 3.45Å; K49-L147 HydrophobicContact CB-CD1 3.96Å; K49-L147 HydrophobicContact CB-CD2 3.61Å; K49-L147 HydrophobicContact CB-CG 4.46Å; K49-L147 HydrophobicContact CD-CD1 3.91Å |
| 50 | L | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 176.4 | -73.2 | 164.5 | 0 | 0 | 0 | 111.3 | L2 L46 I47 Q52 A53 G54 W55 L143 L146 L147 | L2-L50 HydrophobicContact CD1-CD1 3.85Å; L46-L50 WeakPolarHBondContact O-CB 3.5Å; L46-L50 WeakPolarHBondContact O-CG 3.4Å; L46-L50 PolarHBondContact O-N 2.84Å; I47-L50 PolarHBondContact O-N 3.39Å; L50-Q52 VanDerWaalsContact C-N 3.33Å; L50-Q52 PolarHBondContact O-N 3.42Å; L50-A53 CarbonylContact O-C 3.44Å; L50-A53 WeakPolarHBondContact O-CA 3.34Å; L50-A53 WeakPolarHBondContact O-CB 3.35Å; L50-A53 PolarHBondContact O-N 3.31Å; L50-A53 VanDerWaalsContact O-N 3.07Å; L50-G54 PolarHBondContact O-N 3.34Å; L50-W55 HydrophobicContact CB-CB 4.07Å; L50-W55 HydrophobicContact CB-CG 4.15Å; L50-W55 HydrophobicContact CD2-CG 4.2Å; L50-W55 VanDerWaalsContact O-CB 3.3Å; L50-W55 WeakPolarHBondContact O-CB 3.48Å; L50-W55 VanDerWaalsContact O-CD1 3.28Å; L50-W55 PolarHBondContact O-N 3.39Å; L50-L143 HydrophobicContact CD1-CB 4.1Å; L50-L143 HydrophobicContact CD1-CD2 3.92Å; L50-L146 HydrophobicContact CD2-CB 3.6Å; L50-L147 HydrophobicContact CD2-CD2 3.72Å; L50-L147 HydrophobicContact CD2-CG 4.04Å; L50-L147 HydrophobicContact CG-CD2 3.84Å; L50-L147 HydrophobicContact CG-CG 4.27Å |
| 51 | K | 98.3 | Very high | 98.1 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59 | -43.5 | 173.2 | -71.3 | 170.8 | 73.3 | 81.9 | 0 | 112 | I47 N48 K49 A53 G54 W55 I57 P89 D91 | I47-K51 HydrophobicContact CG2-CD 4.11Å; I47-K51 HydrophobicContact CG2-CG 4.44Å; I47-K51 VanDerWaalsContact O-CG 3.27Å; I47-K51 WeakPolarHBondContact O-CG 3.48Å; I47-K51 PolarHBondContact O-N 3.33Å; N48-K51 PolarHBondContact O-N 3.47Å; K49-K51 VanDerWaalsContact C-N 3.35Å; K49-K51 PolarHBondContact O-N 3.48Å; K51-A53 PolarHBondContact O-N 3.01Å; K51-G54 PolarHBondContact O-N 3.12Å; K51-W55 WeakPolarHBondContact CA-O 3.5Å; K51-I57 HydrophobicContact CD-CG1 3.93Å; K51-I57 HydrophobicContact CG-CD1 4.33Å; K51-I57 HydrophobicContact CG-CG1 3.53Å; K51-P89 HydrophobicContact CD-CB 3.97Å; K51-D91 IonicContact NZ-OD1 2.73Å; K51-D91 PolarHBondContact NZ-OD1 3.27Å; K51-D91 IonicContact NZ-OD2 2.8Å; K51-D91 PolarHBondContact NZ-OD2 3.03Å |
| 52 | Q | 98.1 | Very high | 98.1 | Very high | 164 Ų | 164 | 45.9 Ų | 45.9 | 77% | 0.766 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -62.9 | -32.1 | 174.7 | -69.3 | 168.9 | 12.9 | 0 | 0 | 112.4 | N48 K49 L50 G54 | N48-Q52 WeakPolarHBondContact O-CG 3.42Å; N48-Q52 PolarHBondContact O-N 2.99Å; K49-Q52 WeakPolarHBondContact O-CB 3.33Å; K49-Q52 PolarHBondContact O-N 2.86Å; L50-Q52 VanDerWaalsContact C-N 3.33Å; L50-Q52 PolarHBondContact O-N 3.42Å; Q52-G54 PolarHBondContact O-N 3.3Å |
| 53 | A | 97.7 | Very high | 98.1 | Very high | 67 Ų | 67 | 41 Ų | 41 | 55% | 0.554 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 4.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K49 L50 K51 | K49-A53 PolarHBondContact O-N 3.45Å; L50-A53 CarbonylContact O-C 3.44Å; L50-A53 WeakPolarHBondContact O-CA 3.34Å; L50-A53 WeakPolarHBondContact O-CB 3.35Å; L50-A53 PolarHBondContact O-N 3.31Å; L50-A53 VanDerWaalsContact O-N 3.07Å; K51-A53 PolarHBondContact O-N 3.01Å |
| 54 | G | 96.7 | Very high | 98 | Very high | 64 Ų | 64 | 41.3 Ų | 41.3 | 66% | 0.66 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 94.7 | 8.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L50 K51 Q52 E56 | L50-G54 PolarHBondContact O-N 3.34Å; K51-G54 PolarHBondContact O-N 3.12Å; Q52-G54 PolarHBondContact O-N 3.3Å; G54-E56 PolarHBondContact O-N 3.48Å |
| 55 | W | 97.4 | Very high | 97.9 | Very high | 68 Ų | 68 | 45.8 Ų | 45.8 | 26% | 0.258 | 24% | 0.238 | S | C | . | . | trans | -76.5 | 123.2 | 173.1 | -68.2 | 89.7 | 0 | 0 | 0 | 111.6 | L2 L50 K51 I57 I114 L146 | L2-W55 HydrophobicContact CD2-CE3 3.84Å; L2-W55 HydrophobicContact CD2-CZ3 3.75Å; L2-W55 HydrophobicContact CG-CD2 4.43Å; L2-W55 HydrophobicContact CG-CE3 3.78Å; L2-W55 HydrophobicContact CG-CZ3 4.23Å; L50-W55 HydrophobicContact CB-CB 4.07Å; L50-W55 HydrophobicContact CB-CG 4.15Å; L50-W55 HydrophobicContact CD2-CG 4.2Å; L50-W55 VanDerWaalsContact O-CB 3.3Å; L50-W55 WeakPolarHBondContact O-CB 3.48Å; L50-W55 VanDerWaalsContact O-CD1 3.28Å; L50-W55 PolarHBondContact O-N 3.39Å; K51-W55 WeakPolarHBondContact CA-O 3.5Å; W55-I57 HydrophobicContact CB-CD1 4.49Å; W55-I114 HydrophobicContact CH2-CD1 4.02Å; W55-I114 HydrophobicContact CZ3-CD1 4.23Å; W55-L146 HydrophobicContact CH2-CD1 4.49Å; W55-L146 HydrophobicContact CZ2-CB 4.41Å; W55-L146 HydrophobicContact CZ2-CD1 4.43Å; W55-L146 HydrophobicContact CZ2-CD2 4.38Å | ||
| 56 | E | 96.9 | Very high | 97.3 | Very high | 90 Ų | 90 | 48.7 Ų | 48.7 | 42% | 0.421 | 25% | 0.252 | S | S | . | . | trans | -78.2 | 141 | 163.8 | -69.3 | -174.5 | -175.1 | 0 | 0 | 111.6 | M1 L2 G54 H92 | M1-E56 CarbonylContact C-O 3.49Å; M1-E56 WeakPolarHBondContact CA-O 3.45Å; M1-E56 HydrophobicContact CB-CB 4.38Å; M1-E56 HydrophobicContact CE-CB 4.12Å; M1-E56 WeakPolarHBondContact CE-OE2 3.37Å; M1-E56 HydrophobicContact CG-CB 4.35Å; M1-E56 WeakPolarHBondContact CG-O 3.29Å; L2-E56 PolarHBondContact N-O 3.12Å; G54-E56 PolarHBondContact O-N 3.48Å; E56-H92 IonicContact OE2-NE2 2.75Å | ||
| 57 | I | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 116.2 | -178.1 | -50 | -62.3 | 0 | 0 | 0 | 109.9 | L2 F4 I47 K51 W55 F88 P89 D91 H92 | L2-I57 HydrophobicContact CB-CD1 3.98Å; L2-I57 HydrophobicContact CD1-CD1 3.93Å; L2-I57 HydrophobicContact CG-CD1 4.23Å; F4-I57 HydrophobicContact CD2-CG2 4.01Å; F4-I57 HydrophobicContact CE2-CD1 4.47Å; F4-I57 HydrophobicContact CE2-CG2 4.01Å; I47-I57 HydrophobicContact CG2-CD1 3.99Å; I47-I57 HydrophobicContact CG2-CG1 3.76Å; I47-I57 HydrophobicContact CG2-CG2 4.3Å; K51-I57 HydrophobicContact CD-CG1 3.93Å; K51-I57 HydrophobicContact CG-CD1 4.33Å; K51-I57 HydrophobicContact CG-CG1 3.53Å; W55-I57 HydrophobicContact CB-CD1 4.49Å; I57-F88 HydrophobicContact CG2-CE1 4.46Å; I57-P89 WeakPolarHBondContact CG2-O 3.4Å; I57-D91 PolarHBondContact N-OD2 2.79Å; I57-D91 PolarHBondContact O-N 3.04Å; I57-H92 PolarHBondContact O-N 2.83Å |
| 58 | A | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | M1 L2 A3 F4 I60 H92 V106 | M1-A58 HydrophobicContact CG-CB 4.33Å; M1-A58 HydrophobicContact SD-CB 3.89Å; L2-A58 PolarHBondContact O-N 2.98Å; A3-A58 CarbonylContact C-O 3.5Å; A3-A58 WeakPolarHBondContact CA-O 3.34Å; F4-A58 PolarHBondContact N-O 3.19Å; A58-I60 HydrophobicContact CB-CG1 4.26Å; A58-H92 HydrophobicContact CB-CB 4.33Å; A58-V106 HydrophobicContact CB-CG1 4.26Å |
| 59 | I | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 120.4 | 164.8 | -54.9 | -55.5 | 0 | 0 | 0 | 108.1 | F4 M6 I10 T61 L83 F88 Y90 H92 F93 H94 | F4-I59 HydrophobicContact CB-CD1 4Å; F4-I59 CarbonylContact O-C 3.58Å; F4-I59 WeakPolarHBondContact O-CA 3.49Å; M6-I59 HydrophobicContact CG-CG2 3.61Å; M6-I59 HydrophobicContact SD-CG2 3.74Å; I10-I59 HydrophobicContact CD1-CD1 4.33Å; I59-T61 HydrophobicContact CG2-CG2 4.36Å; I59-L83 HydrophobicContact CD1-CD2 4.14Å; I59-L83 HydrophobicContact CG1-CD1 3.98Å; I59-L83 HydrophobicContact CG1-CD2 4.17Å; I59-L83 HydrophobicContact CG2-CD1 4.37Å; I59-F88 HydrophobicContact CD1-CD1 4Å; I59-F88 HydrophobicContact CD1-CE1 3.56Å; I59-F88 HydrophobicContact CD1-CZ 4.36Å; I59-Y90 HydrophobicContact CG1-CD1 4.42Å; I59-Y90 HydrophobicContact CG1-CD2 4.47Å; I59-Y90 HydrophobicContact CG1-CG 3.98Å; I59-H92 PolarHBondContact N-O 2.87Å; I59-F93 HydrophobicContact CB-CD2 3.98Å; I59-F93 HydrophobicContact CG2-CD2 3.88Å; I59-F93 HydrophobicContact CG2-CE2 4.01Å; I59-H94 WeakPolarHBondContact O-CB 3.46Å; I59-H94 PolarHBondContact O-N 3.01Å |
| 60 | I | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 103.2 | 177 | -43.7 | 178.4 | 0 | 0 | 0 | 109.1 | A3 F4 A58 H94 L96 K102 A105 V106 W126 | A3-I60 HydrophobicContact CB-CD1 3.74Å; A3-I60 HydrophobicContact CB-CG1 4.35Å; F4-I60 PolarHBondContact O-N 3.41Å; A58-I60 HydrophobicContact CB-CG1 4.26Å; I60-H94 HydrophobicContact CB-CB 4.49Å; I60-H94 HydrophobicContact CG1-CB 4.4Å; I60-H94 HydrophobicContact CG2-CB 4.18Å; I60-L96 HydrophobicContact CG2-CD1 3.68Å; I60-L96 HydrophobicContact CG2-CG 4.31Å; I60-K102 HydrophobicContact CB-CD 4.26Å; I60-K102 HydrophobicContact CG2-CB 3.73Å; I60-K102 HydrophobicContact CG2-CD 3.9Å; I60-K102 HydrophobicContact CG2-CG 3.78Å; I60-K102 WeakPolarHBondContact O-CD 3.4Å; I60-K102 VanDerWaalsContact O-CE 3.31Å; I60-K102 WeakPolarHBondContact O-CE 3.22Å; I60-K102 PolarHBondContact O-NZ 3.07Å; I60-A105 HydrophobicContact CG2-CB 4.19Å; I60-V106 HydrophobicContact CD1-CB 4.37Å; I60-V106 HydrophobicContact CD1-CG1 3.55Å; I60-V106 HydrophobicContact CD1-CG2 3.88Å; I60-V106 HydrophobicContact CG1-CG1 4.32Å; I60-W126 HydrophobicContact CD1-CH2 4.15Å; I60-W126 HydrophobicContact CD1-CZ3 4.41Å |
| 61 | T | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 145 | -171.3 | -172.2 | 0 | 0 | 0 | 0 | 111 | M6 I59 K79 F93 H94 G95 L96 | M6-T61 HydrophobicContact CG-CG2 4.19Å; M6-T61 HydrophobicContact SD-CG2 3.94Å; I59-T61 HydrophobicContact CG2-CG2 4.36Å; T61-K79 HydrophobicContact CG2-CD 3.83Å; T61-K79 PolarHBondContact OG1-NZ 3.07Å; T61-F93 HydrophobicContact CG2-CE2 4.24Å; T61-F93 HydrophobicContact CG2-CZ 4.1Å; T61-H94 PolarHBondContact N-O 3.17Å; T61-G95 WeakPolarHBondContact O-CA 3.48Å; T61-L96 PolarHBondContact O-N 2.81Å |
| 62 | W | 98 | Very high | 96.1 | Very high | 44 Ų | 44 | 53.5 Ų | 53.5 | 17% | 0.167 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 144.9 | 168.6 | -72.1 | -21.7 | 0 | 0 | 0 | 110.6 | K79 L96 Y98 G99 A100 V122 | W62-K79 WeakPolarHBondContact O-CE 3.39Å; W62-K79 PolarHBondContact O-NZ 3.42Å; W62-L96 CarbonylContact C-O 3.46Å; W62-L96 WeakPolarHBondContact CA-O 3.47Å; W62-Y98 HydrophobicContact CB-CD2 4.06Å; W62-Y98 HydrophobicContact CD2-CD2 4.25Å; W62-Y98 AromaticContact CE3-CD2 3.74Å; W62-Y98 HydrophobicContact CE3-CD2 3.74Å; W62-Y98 AromaticContact CE3-CE2 3.58Å; W62-Y98 HydrophobicContact CE3-CE2 3.58Å; W62-Y98 HydrophobicContact CE3-CG 4.3Å; W62-Y98 HydrophobicContact CG-CD2 4.42Å; W62-Y98 HydrophobicContact CZ3-CE1 4.49Å; W62-Y98 HydrophobicContact CZ3-CE2 4.09Å; W62-G99 VanDerWaalsContact CE2-N 3.27Å; W62-G99 VanDerWaalsContact CZ2-CA 3.43Å; W62-A100 PolarHBondContact NE1-O 2.6Å; W62-V122 HydrophobicContact CH2-CG2 3.66Å; W62-V122 HydrophobicContact CZ2-CG2 3.95Å; W62-V122 HydrophobicContact CZ3-CG2 4.27Å |
| 63 | L | 97.6 | Very high | 96.1 | Very high | 9 Ų | 9 | 52.5 Ų | 52.5 | 5% | 0.047 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 173 | 161.9 | -57 | 178.5 | 0 | 0 | 0 | 109.5 | K65 A72 V75 R76 L96 | L63-K65 PolarHBondContact O-N 2.81Å; L63-A72 HydrophobicContact CD1-CB 3.94Å; L63-V75 HydrophobicContact CB-CG1 4.45Å; L63-V75 HydrophobicContact CD2-CB 4.39Å; L63-V75 HydrophobicContact CD2-CG1 3.99Å; L63-R76 HydrophobicContact CD2-CB 3.93Å; L63-L96 WeakPolarHBondContact CG-O 3.49Å; L63-L96 PolarHBondContact N-O 2.77Å |
| 64 | S | 96.2 | Very high | 96.1 | Very high | 10 Ų | 10 | 51.4 Ų | 51.4 | 7% | 0.07 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 140.3 | -179 | -173.7 | 0 | 0 | 0 | 0 | 111.8 | Y31 S67 Y71 | Y31-S64 WeakPolarHBondContact OH-CB 3.45Å; S64-S67 PolarHBondContact O-OG 2.82Å; S64-Y71 WeakPolarHBondContact OG-CE1 3.12Å |
| 65 | K | 94.9 | Very high | 96.2 | Very high | 114 Ų | 114 | 48.3 Ų | 48.3 | 50% | 0.496 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 139.1 | 171.6 | -172.4 | 179.2 | -179.7 | -155.9 | 0 | 109.7 | L63 S67 Y98 | L63-K65 PolarHBondContact O-N 2.81Å; K65-S67 VanDerWaalsContact C-N 3.28Å; K65-S67 PolarHBondContact O-N 2.8Å; K65-Y98 HydrophobicContact CB-CD1 3.88Å; K65-Y98 HydrophobicContact CB-CD2 3.8Å; K65-Y98 HydrophobicContact CB-CE1 4.09Å; K65-Y98 HydrophobicContact CB-CE2 4Å; K65-Y98 HydrophobicContact CB-CG 3.73Å; K65-Y98 HydrophobicContact CD-CD1 4.19Å; K65-Y98 HydrophobicContact CD-CE1 3.76Å; K65-Y98 HydrophobicContact CG-CD1 3.66Å; K65-Y98 HydrophobicContact CG-CD2 4.49Å; K65-Y98 HydrophobicContact CG-CE1 3.78Å; K65-Y98 HydrophobicContact CG-CG 4.04Å |
| 66 | E | 87.1 | Confident | 96.2 | Very high | 166 Ų | 166 | 49 Ų | 49 | 78% | 0.776 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 41.7 | 173.9 | -68.6 | 161.7 | -151.1 | 0 | 0 | 113.7 | ||
| 67 | S | 84.6 | Confident | 96.3 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 27% | 0.273 | 25% | 0.248 | S | C | . | . | trans | -87.9 | 142.5 | -178 | 41.5 | 0 | 0 | 0 | 0 | 113.2 | S64 K65 Y71 | S64-S67 PolarHBondContact O-OG 2.82Å; K65-S67 VanDerWaalsContact C-N 3.28Å; K65-S67 PolarHBondContact O-N 2.8Å; S67-Y71 VanDerWaalsContact CB-CD1 3.47Å | ||
| 68 | S | 94.6 | Very high | 96.3 | Very high | 30 Ų | 30 | 50 Ų | 50 | 21% | 0.21 | 25% | 0.254 | C | S | . | . | trans | -58.1 | 154.1 | 159.7 | 67.2 | 0 | 0 | 0 | 0 | 110.9 | E26 E70 Y71 A72 | E26-S68 VanDerWaalsContact CD-OG 3.24Å; E26-S68 WeakPolarHBondContact OE1-CB 3.38Å; E26-S68 PolarHBondContact OE1-N 2.96Å; E26-S68 PolarHBondContact OE1-OG 2.84Å; E26-S68 VanDerWaalsContact OE1-OG 3.07Å; E26-S68 PolarHBondContact OE2-OG 2.94Å; S68-E70 PolarHBondContact O-N 3.37Å; S68-Y71 PolarHBondContact O-N 2.98Å; S68-Y71 WeakPolarHBondContact OG-CB 3.18Å; S68-Y71 PolarHBondContact OG-N 3.45Å; S68-Y71 VanDerWaalsContact OG-N 3.1Å; S68-A72 WeakPolarHBondContact O-CB 3.42Å; S68-A72 PolarHBondContact O-N 3.33Å | ||
| 69 | P | 95.3 | Very high | 96.3 | Very high | 100 Ų | 100 | 50 Ų | 50 | 65% | 0.649 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -54.9 | -39.1 | 175.5 | -26.7 | 35.8 | 0 | 0 | 0 | 113.4 | A72 K73 | P69-A72 PolarHBondContact O-N 2.8Å; P69-K73 PolarHBondContact O-N 3.02Å |
| 70 | E | 96.8 | Very high | 96.4 | Very high | 136 Ų | 136 | 53.4 Ų | 53.4 | 64% | 0.636 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -66 | -46.7 | 178.8 | -65.6 | 67 | -145.8 | 0 | 0 | 110.7 | S68 K73 A74 | S68-E70 PolarHBondContact O-N 3.37Å; E70-K73 WeakPolarHBondContact O-CB 3.41Å; E70-K73 PolarHBondContact O-N 3.36Å; E70-A74 PolarHBondContact O-N 3.33Å |
| 71 | Y | 97.3 | Very high | 96.4 | Very high | 8 Ų | 8 | 55.2 Ų | 55.2 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 176.6 | 179.8 | -137.6 | 0 | 0 | 0 | 111.8 | L23 E26 A28 S64 S67 S68 K73 A74 V75 | L23-Y71 WeakPolarHBondContact CA-OH 3.44Å; E26-Y71 HydrophobicContact CB-CD1 3.71Å; E26-Y71 HydrophobicContact CB-CD2 3.79Å; E26-Y71 HydrophobicContact CB-CE1 4.16Å; E26-Y71 HydrophobicContact CB-CE2 4.24Å; E26-Y71 HydrophobicContact CB-CG 3.54Å; E26-Y71 HydrophobicContact CG-CD1 3.57Å; E26-Y71 HydrophobicContact CG-CE1 4.13Å; E26-Y71 HydrophobicContact CG-CG 3.84Å; E26-Y71 WeakPolarHBondContact O-CD2 3.3Å; E26-Y71 VanDerWaalsContact O-CE2 3.26Å; E26-Y71 WeakPolarHBondContact O-CE2 3.09Å; A28-Y71 HydrophobicContact CB-CD2 4.44Å; A28-Y71 HydrophobicContact CB-CE2 3.9Å; S64-Y71 WeakPolarHBondContact OG-CE1 3.12Å; S67-Y71 VanDerWaalsContact CB-CD1 3.47Å; S68-Y71 PolarHBondContact O-N 2.98Å; S68-Y71 WeakPolarHBondContact OG-CB 3.18Å; S68-Y71 PolarHBondContact OG-N 3.45Å; S68-Y71 VanDerWaalsContact OG-N 3.1Å; Y71-K73 PolarHBondContact O-N 3.39Å; Y71-A74 WeakPolarHBondContact O-CB 3.36Å; Y71-A74 PolarHBondContact O-N 2.92Å; Y71-V75 HydrophobicContact CD2-CG2 3.84Å; Y71-V75 HydrophobicContact CE1-CG2 4.19Å; Y71-V75 HydrophobicContact CE2-CG2 3.4Å; Y71-V75 HydrophobicContact CG-CG2 4.37Å; Y71-V75 WeakPolarHBondContact O-CG2 3.34Å; Y71-V75 PolarHBondContact O-N 2.76Å |
| 72 | A | 97.5 | Very high | 96.4 | Very high | 15 Ų | 15 | 55.3 Ų | 55.3 | 12% | 0.124 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58 | -37.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | L63 S68 P69 R76 | L63-A72 HydrophobicContact CD1-CB 3.94Å; S68-A72 WeakPolarHBondContact O-CB 3.42Å; S68-A72 PolarHBondContact O-N 3.33Å; P69-A72 PolarHBondContact O-N 2.8Å; A72-R76 WeakPolarHBondContact O-CB 3.35Å; A72-R76 PolarHBondContact O-N 2.99Å; A72-R76 VanDerWaalsContact O-N 3.09Å |
| 73 | K | 97.5 | Very high | 96.4 | Very high | 142 Ų | 142 | 53.2 Ų | 53.2 | 62% | 0.617 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.7 | -47.1 | 171.8 | -174.2 | -176.9 | 178 | -175.1 | 0 | 111.2 | P69 E70 Y71 V75 R76 E77 | P69-K73 PolarHBondContact O-N 3.02Å; E70-K73 WeakPolarHBondContact O-CB 3.41Å; E70-K73 PolarHBondContact O-N 3.36Å; Y71-K73 PolarHBondContact O-N 3.39Å; K73-V75 PolarHBondContact O-N 2.91Å; K73-R76 WeakPolarHBondContact O-CB 3.46Å; K73-R76 PolarHBondContact O-N 3.41Å; K73-E77 WeakPolarHBondContact O-CG 3.49Å; K73-E77 PolarHBondContact O-N 3.18Å |
| 74 | A | 98.1 | Very high | 96.5 | Very high | 44 Ų | 44 | 59.8 Ų | 59.8 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A28 E70 Y71 R76 E77 A78 | A28-A74 HydrophobicContact CB-CB 4.04Å; E70-A74 PolarHBondContact O-N 3.33Å; Y71-A74 WeakPolarHBondContact O-CB 3.36Å; Y71-A74 PolarHBondContact O-N 2.92Å; A74-R76 VanDerWaalsContact C-N 3.35Å; A74-R76 PolarHBondContact O-N 2.78Å; A74-E77 PolarHBondContact O-N 2.83Å; A74-A78 WeakPolarHBondContact O-CB 3.32Å; A74-A78 PolarHBondContact O-N 2.88Å |
| 75 | V | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 175.3 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | A28 Y31 L63 Y71 K73 E77 A78 K79 | A28-V75 HydrophobicContact CB-CG2 4.26Å; Y31-V75 HydrophobicContact CD1-CG1 4.36Å; Y31-V75 HydrophobicContact CD2-CB 4.31Å; Y31-V75 HydrophobicContact CD2-CG1 3.85Å; Y31-V75 HydrophobicContact CD2-CG2 3.93Å; Y31-V75 HydrophobicContact CE1-CG1 4.15Å; Y31-V75 HydrophobicContact CE2-CB 4.15Å; Y31-V75 HydrophobicContact CE2-CG1 3.64Å; Y31-V75 HydrophobicContact CE2-CG2 3.49Å; Y31-V75 VanDerWaalsContact CE2-CG2 3.49Å; Y31-V75 HydrophobicContact CG-CG1 4.21Å; L63-V75 HydrophobicContact CB-CG1 4.45Å; L63-V75 HydrophobicContact CD2-CB 4.39Å; L63-V75 HydrophobicContact CD2-CG1 3.99Å; Y71-V75 HydrophobicContact CD2-CG2 3.84Å; Y71-V75 HydrophobicContact CE1-CG2 4.19Å; Y71-V75 HydrophobicContact CE2-CG2 3.4Å; Y71-V75 HydrophobicContact CG-CG2 4.37Å; Y71-V75 WeakPolarHBondContact O-CG2 3.34Å; Y71-V75 PolarHBondContact O-N 2.76Å; K73-V75 PolarHBondContact O-N 2.91Å; V75-E77 VanDerWaalsContact C-N 3.35Å; V75-E77 PolarHBondContact O-N 3.17Å; V75-A78 PolarHBondContact O-N 2.94Å; V75-K79 HydrophobicContact CG1-CD 3.92Å; V75-K79 HydrophobicContact CG1-CG 4.46Å; V75-K79 WeakPolarHBondContact O-CB 3.47Å; V75-K79 WeakPolarHBondContact O-CG 3.43Å; V75-K79 PolarHBondContact O-N 3.04Å |
| 76 | R | 98.3 | Very high | 96.7 | Very high | 83 Ų | 83 | 63 Ų | 63 | 31% | 0.313 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 176.8 | 178.3 | 173.3 | -70.8 | 114.4 | -9.1 | 111.4 | L63 A72 K73 A74 K80 F93 G95 | L63-R76 HydrophobicContact CD2-CB 3.93Å; A72-R76 WeakPolarHBondContact O-CB 3.35Å; A72-R76 PolarHBondContact O-N 2.99Å; A72-R76 VanDerWaalsContact O-N 3.09Å; K73-R76 WeakPolarHBondContact O-CB 3.46Å; K73-R76 PolarHBondContact O-N 3.41Å; A74-R76 VanDerWaalsContact C-N 3.35Å; A74-R76 PolarHBondContact O-N 2.78Å; R76-K80 WeakPolarHBondContact O-CG 3.48Å; R76-K80 PolarHBondContact O-N 3.11Å; R76-K80 VanDerWaalsContact O-N 3.12Å; R76-F93 HydrophobicContact CG-CE1 3.87Å; R76-F93 HydrophobicContact CG-CZ 4.42Å; R76-G95 PolarHBondContact NH2-O 3.19Å |
| 77 | E | 98.5 | Very high | 97.2 | Very high | 94 Ų | 94 | 57.4 Ų | 57.4 | 44% | 0.439 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.6 | -39.1 | 180 | -63.3 | -48.6 | 122.5 | 0 | 0 | 111.8 | K73 A74 V75 K79 K80 A81 | K73-E77 WeakPolarHBondContact O-CG 3.49Å; K73-E77 PolarHBondContact O-N 3.18Å; A74-E77 PolarHBondContact O-N 2.83Å; V75-E77 VanDerWaalsContact C-N 3.35Å; V75-E77 PolarHBondContact O-N 3.17Å; E77-K79 PolarHBondContact O-N 3.31Å; E77-K80 PolarHBondContact O-N 2.78Å; E77-K80 IonicContact OE1-NZ 2.62Å; E77-A81 VanDerWaalsContact O-CB 3.31Å; E77-A81 WeakPolarHBondContact O-CB 3.4Å; E77-A81 PolarHBondContact O-N 3.1Å |
| 78 | A | 98.6 | Very high | 97.9 | Very high | 15 Ų | 15 | 55.9 Ų | 55.9 | 12% | 0.124 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | A28 A74 V75 A81 W82 | A28-A78 HydrophobicContact CB-CB 4.26Å; A74-A78 WeakPolarHBondContact O-CB 3.32Å; A74-A78 PolarHBondContact O-N 2.88Å; V75-A78 PolarHBondContact O-N 2.94Å; A78-A81 PolarHBondContact O-N 2.98Å; A78-W82 WeakPolarHBondContact O-CB 3.44Å; A78-W82 PolarHBondContact O-N 2.82Å |
| 79 | K | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 176.3 | -75.9 | 171.3 | 175.1 | -84.1 | 0 | 112.5 | M6 D7 Y31 T61 W62 V75 E77 W82 L83 F93 | M6-K79 HydrophobicContact CE-CB 4.09Å; M6-K79 HydrophobicContact CE-CG 4.35Å; M6-K79 HydrophobicContact SD-CB 3.81Å; M6-K79 HydrophobicContact SD-CD 4.27Å; M6-K79 HydrophobicContact SD-CG 4.05Å; D7-K79 IonicContact OD1-NZ 3.97Å; D7-K79 PolarHBondContact OD1-NZ 3.33Å; D7-K79 IonicContact OD2-NZ 3.57Å; D7-K79 PolarHBondContact OD2-NZ 3.25Å; Y31-K79 HydrophobicContact CD1-CG 4.21Å; Y31-K79 HydrophobicContact CG-CG 4.37Å; T61-K79 HydrophobicContact CG2-CD 3.83Å; T61-K79 PolarHBondContact OG1-NZ 3.07Å; W62-K79 WeakPolarHBondContact O-CE 3.39Å; W62-K79 PolarHBondContact O-NZ 3.42Å; V75-K79 HydrophobicContact CG1-CD 3.92Å; V75-K79 HydrophobicContact CG1-CG 4.46Å; V75-K79 WeakPolarHBondContact O-CB 3.47Å; V75-K79 WeakPolarHBondContact O-CG 3.43Å; V75-K79 PolarHBondContact O-N 3.04Å; E77-K79 PolarHBondContact O-N 3.31Å; K79-W82 WeakPolarHBondContact O-CB 3.31Å; K79-W82 PolarHBondContact O-N 3.43Å; K79-L83 WeakPolarHBondContact O-CG 3.48Å; K79-L83 PolarHBondContact O-N 2.73Å; K79-L83 VanDerWaalsContact O-N 3.11Å; K79-F93 HydrophobicContact CB-CE2 4.3Å; K79-F93 HydrophobicContact CB-CZ 4.2Å |
| 80 | K | 98.7 | Very high | 98.2 | Very high | 71 Ų | 71 | 54.6 Ų | 54.6 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 173.4 | -73.5 | 177.1 | 179.8 | 173.6 | 0 | 112 | R76 E77 W82 L83 L84 F93 | R76-K80 WeakPolarHBondContact O-CG 3.48Å; R76-K80 PolarHBondContact O-N 3.11Å; R76-K80 VanDerWaalsContact O-N 3.12Å; E77-K80 PolarHBondContact O-N 2.78Å; E77-K80 IonicContact OE1-NZ 2.62Å; K80-W82 PolarHBondContact O-N 3.47Å; K80-L83 PolarHBondContact O-N 2.64Å; K80-L84 PolarHBondContact O-N 3.41Å; K80-F93 HydrophobicContact CG-CD1 4.31Å; K80-F93 HydrophobicContact CG-CD2 4.22Å; K80-F93 HydrophobicContact CG-CE1 4.22Å; K80-F93 HydrophobicContact CG-CE2 4.11Å; K80-F93 HydrophobicContact CG-CG 4.32Å; K80-F93 HydrophobicContact CG-CZ 4.11Å |
| 81 | A | 98.7 | Very high | 98.3 | Very high | 39 Ų | 39 | 51.5 Ų | 51.5 | 32% | 0.322 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.8 | -35.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L32 E77 A78 L84 K85 | L32-A81 HydrophobicContact CD1-CB 3.99Å; E77-A81 VanDerWaalsContact O-CB 3.31Å; E77-A81 WeakPolarHBondContact O-CB 3.4Å; E77-A81 PolarHBondContact O-N 3.1Å; A78-A81 PolarHBondContact O-N 2.98Å; A81-L84 PolarHBondContact O-N 2.88Å; A81-K85 WeakPolarHBondContact O-CB 3.27Å; A81-K85 PolarHBondContact O-N 3.28Å |
| 82 | W | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 172.2 | -170.4 | 98.9 | 0 | 0 | 0 | 111.8 | M6 I10 A11 A34 P36 A78 K79 K80 L84 K85 W86 | M6-W82 HydrophobicContact CE-CB 4.49Å; M6-W82 HydrophobicContact CE-CD2 4.29Å; M6-W82 HydrophobicContact CE-CE3 3.81Å; I10-W82 HydrophobicContact CD1-CZ3 3.95Å; I10-W82 HydrophobicContact CG1-CH2 4.39Å; I10-W82 HydrophobicContact CG1-CZ3 4.23Å; I10-W82 WeakPolarHBondContact O-CH2 3.38Å; A11-W82 HydrophobicContact CB-CD2 4.21Å; A11-W82 HydrophobicContact CB-CH2 4.1Å; A11-W82 HydrophobicContact CB-CZ2 3.62Å; A34-W82 PolarHBondContact O-NE1 3.46Å; P36-W82 HydrophobicContact CB-CZ2 4.4Å; P36-W82 HydrophobicContact CG-CZ2 4.17Å; A78-W82 WeakPolarHBondContact O-CB 3.44Å; A78-W82 PolarHBondContact O-N 2.82Å; K79-W82 WeakPolarHBondContact O-CB 3.31Å; K79-W82 PolarHBondContact O-N 3.43Å; K80-W82 PolarHBondContact O-N 3.47Å; W82-L84 VanDerWaalsContact C-N 3.3Å; W82-L84 PolarHBondContact O-N 3.01Å; W82-K85 PolarHBondContact O-N 2.66Å; W82-W86 AromaticContact CD1-CD1 3.89Å; W82-W86 AromaticContact CD1-NE1 3.79Å; W82-W86 AromaticContact CD2-CD1 3.48Å; W82-W86 VanDerWaalsContact CD2-CD1 3.48Å; W82-W86 AromaticContact CE2-CD1 3.23Å; W82-W86 AromaticContact CE2-NE1 3.46Å; W82-W86 AromaticContact CE3-CD1 3.98Å; W82-W86 AromaticContact CG-CD1 3.88Å; W82-W86 HydrophobicContact CH2-CG 4.41Å; W82-W86 AromaticContact CZ2-CD1 3.54Å; W82-W86 HydrophobicContact CZ2-CG 4.23Å; W82-W86 AromaticContact CZ2-NE1 3.82Å; W82-W86 HydrophobicContact CZ3-CB 4.5Å; W82-W86 AromaticContact NE1-CD1 3.52Å; W82-W86 AromaticContact NE1-NE1 3.29Å; W82-W86 VanDerWaalsContact O-CD1 3.24Å; W82-W86 PolarHBondContact O-N 3.14Å; W82-W86 VanDerWaalsContact O-N 3.09Å |
| 83 | L | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.6 | -43 | 177.4 | -66.9 | 165 | 0 | 0 | 0 | 111.4 | M6 I10 I59 K79 K80 G87 F88 Y90 F93 | M6-L83 HydrophobicContact CE-CD1 4.42Å; M6-L83 HydrophobicContact CE-CD2 4.05Å; M6-L83 HydrophobicContact CE-CG 3.93Å; M6-L83 HydrophobicContact SD-CD1 4.38Å; M6-L83 HydrophobicContact SD-CG 4.5Å; I10-L83 HydrophobicContact CD1-CD2 4.05Å; I59-L83 HydrophobicContact CD1-CD2 4.14Å; I59-L83 HydrophobicContact CG1-CD1 3.98Å; I59-L83 HydrophobicContact CG1-CD2 4.17Å; I59-L83 HydrophobicContact CG2-CD1 4.37Å; K79-L83 WeakPolarHBondContact O-CG 3.48Å; K79-L83 PolarHBondContact O-N 2.73Å; K79-L83 VanDerWaalsContact O-N 3.11Å; K80-L83 PolarHBondContact O-N 2.64Å; L83-G87 PolarHBondContact O-N 3.23Å; L83-F88 HydrophobicContact CB-CB 4.44Å; L83-F88 HydrophobicContact CD2-CB 3.72Å; L83-F88 HydrophobicContact CD2-CD1 3.76Å; L83-F88 HydrophobicContact CD2-CG 3.82Å; L83-F88 PolarHBondContact O-N 3.09Å; L83-Y90 HydrophobicContact CB-CD1 4.32Å; L83-Y90 HydrophobicContact CB-CE1 3.85Å; L83-Y90 HydrophobicContact CD1-CD1 4.02Å; L83-Y90 HydrophobicContact CD1-CE1 3.77Å; L83-Y90 HydrophobicContact CG-CE1 4.34Å; L83-F93 HydrophobicContact CD1-CD2 3.66Å; L83-F93 HydrophobicContact CD1-CE2 3.91Å |
| 84 | L | 98.4 | Very high | 98.3 | Very high | 147 Ų | 147 | 49.7 Ų | 49.7 | 77% | 0.77 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -64.8 | -47 | 176.8 | -179.5 | 63.9 | 0 | 0 | 0 | 112.1 | K80 A81 W82 W86 G87 | K80-L84 PolarHBondContact O-N 3.41Å; A81-L84 PolarHBondContact O-N 2.88Å; W82-L84 VanDerWaalsContact C-N 3.3Å; W82-L84 PolarHBondContact O-N 3.01Å; L84-W86 PolarHBondContact O-N 2.76Å; L84-G87 PolarHBondContact O-N 3.12Å; L84-G87 VanDerWaalsContact O-N 3.14Å |
| 85 | K | 98.3 | Very high | 98.3 | Very high | 117 Ų | 117 | 48 Ų | 48 | 51% | 0.509 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.1 | -39.4 | 179.9 | 172.8 | -177.8 | 172.2 | -176 | 0 | 112 | L32 A81 W82 | L32-K85 HydrophobicContact CD1-CD 4.25Å; L32-K85 PolarHBondContact O-NZ 2.89Å; A81-K85 WeakPolarHBondContact O-CB 3.27Å; A81-K85 PolarHBondContact O-N 3.28Å; W82-K85 PolarHBondContact O-N 2.66Å |
| 86 | W | 98.1 | Very high | 98.2 | Very high | 75 Ų | 75 | 49.6 Ų | 49.6 | 28% | 0.284 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 7.9 | -177.5 | -64.4 | 111.6 | 0 | 0 | 0 | 113.7 | P36 V40 N44 W82 L84 F88 | P36-W86 VanDerWaalsContact CD-CZ2 3.46Å; P36-W86 HydrophobicContact CG-CD2 3.62Å; P36-W86 HydrophobicContact CG-CE3 3.75Å; P36-W86 HydrophobicContact CG-CG 4.16Å; P36-W86 HydrophobicContact CG-CH2 4.06Å; P36-W86 HydrophobicContact CG-CZ2 3.97Å; P36-W86 HydrophobicContact CG-CZ3 3.96Å; V40-W86 HydrophobicContact CG1-CE3 3.94Å; V40-W86 HydrophobicContact CG1-CZ3 4.44Å; V40-W86 HydrophobicContact CG2-CB 4.03Å; N44-W86 PolarHBondContact ND2-O 3.4Å; W82-W86 AromaticContact CD1-CD1 3.89Å; W82-W86 AromaticContact CD1-NE1 3.79Å; W82-W86 AromaticContact CD2-CD1 3.48Å; W82-W86 VanDerWaalsContact CD2-CD1 3.48Å; W82-W86 AromaticContact CE2-CD1 3.23Å; W82-W86 AromaticContact CE2-NE1 3.46Å; W82-W86 AromaticContact CE3-CD1 3.98Å; W82-W86 AromaticContact CG-CD1 3.88Å; W82-W86 HydrophobicContact CH2-CG 4.41Å; W82-W86 AromaticContact CZ2-CD1 3.54Å; W82-W86 HydrophobicContact CZ2-CG 4.23Å; W82-W86 AromaticContact CZ2-NE1 3.82Å; W82-W86 HydrophobicContact CZ3-CB 4.5Å; W82-W86 AromaticContact NE1-CD1 3.52Å; W82-W86 AromaticContact NE1-NE1 3.29Å; W82-W86 VanDerWaalsContact O-CD1 3.24Å; W82-W86 PolarHBondContact O-N 3.14Å; W82-W86 VanDerWaalsContact O-N 3.09Å; L84-W86 PolarHBondContact O-N 2.76Å; W86-F88 PolarHBondContact O-N 2.95Å; W86-F88 VanDerWaalsContact O-N 3.15Å |
| 87 | G | 97.9 | Very high | 98.1 | Very high | 47 Ų | 47 | 54.1 Ų | 54.1 | 49% | 0.485 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 24 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N44 L83 L84 P89 | N44-G87 PolarHBondContact ND2-O 3.34Å; L83-G87 PolarHBondContact O-N 3.23Å; L84-G87 PolarHBondContact O-N 3.12Å; L84-G87 VanDerWaalsContact O-N 3.14Å; G87-P89 VanDerWaalsContact O-CD 3.26Å; G87-P89 WeakPolarHBondContact O-CD 3.23Å |
| 88 | F | 98.4 | Very high | 98 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | trans | -66.5 | 118.1 | -173.8 | -168.3 | -78.7 | 0 | 0 | 0 | 110.5 | F4 I10 N44 I47 I57 I59 L83 W86 Y90 | F4-F88 HydrophobicContact CD1-CZ 4.42Å; F4-F88 HydrophobicContact CG-CZ 4.37Å; I10-F88 HydrophobicContact CB-CE2 4.25Å; I10-F88 HydrophobicContact CD1-CD1 4.47Å; I10-F88 HydrophobicContact CD1-CD2 4.02Å; I10-F88 HydrophobicContact CD1-CE1 4.27Å; I10-F88 HydrophobicContact CD1-CE2 3.76Å; I10-F88 HydrophobicContact CD1-CG 4.35Å; I10-F88 HydrophobicContact CD1-CZ 3.89Å; I10-F88 HydrophobicContact CG2-CE2 3.9Å; I10-F88 HydrophobicContact CG2-CZ 4.16Å; N44-F88 WeakPolarHBondContact OD1-CA 3.33Å; I47-F88 HydrophobicContact CD1-CD2 4.41Å; I47-F88 HydrophobicContact CD1-CE1 3.87Å; I47-F88 HydrophobicContact CD1-CE2 3.62Å; I47-F88 HydrophobicContact CD1-CZ 3.31Å; I57-F88 HydrophobicContact CG2-CE1 4.46Å; I59-F88 HydrophobicContact CD1-CD1 4Å; I59-F88 HydrophobicContact CD1-CE1 3.56Å; I59-F88 HydrophobicContact CD1-CZ 4.36Å; L83-F88 HydrophobicContact CB-CB 4.44Å; L83-F88 HydrophobicContact CD2-CB 3.72Å; L83-F88 HydrophobicContact CD2-CD1 3.76Å; L83-F88 HydrophobicContact CD2-CG 3.82Å; L83-F88 PolarHBondContact O-N 3.09Å; W86-F88 PolarHBondContact O-N 2.95Å; W86-F88 VanDerWaalsContact O-N 3.15Å; F88-Y90 WeakPolarHBondContact O-CD1 3.47Å | ||
| 89 | P | 98.4 | Very high | 97.9 | Very high | 16 Ų | 16 | 56.2 Ų | 56.2 | 10% | 0.104 | 29% | 0.289 | C | S | . | . | trans | -74.5 | 130.6 | -177.4 | -13 | 27.2 | 0 | 0 | 0 | 111.8 | N44 I47 N48 K51 I57 G87 | N44-P89 HydrophobicContact CB-CG 4.33Å; N44-P89 VanDerWaalsContact OD1-CD 3.25Å; N44-P89 WeakPolarHBondContact OD1-CD 3.29Å; I47-P89 HydrophobicContact CB-CG 4.37Å; I47-P89 HydrophobicContact CG2-CB 3.85Å; I47-P89 HydrophobicContact CG2-CG 4.03Å; N48-P89 WeakPolarHBondContact OD1-CG 3.48Å; K51-P89 HydrophobicContact CD-CB 3.97Å; I57-P89 WeakPolarHBondContact CG2-O 3.4Å; G87-P89 VanDerWaalsContact O-CD 3.26Å; G87-P89 WeakPolarHBondContact O-CD 3.23Å | ||
| 90 | Y | 98.5 | Very high | 97.7 | Very high | 87 Ų | 87 | 58 Ų | 58 | 34% | 0.341 | 30% | 0.303 | S | S | . | . | trans | -150.1 | 155.2 | 173.3 | 66.8 | -86.6 | 0 | 0 | 0 | 111.7 | I59 L83 F88 F93 | I59-Y90 HydrophobicContact CG1-CD1 4.42Å; I59-Y90 HydrophobicContact CG1-CD2 4.47Å; I59-Y90 HydrophobicContact CG1-CG 3.98Å; L83-Y90 HydrophobicContact CB-CD1 4.32Å; L83-Y90 HydrophobicContact CB-CE1 3.85Å; L83-Y90 HydrophobicContact CD1-CD1 4.02Å; L83-Y90 HydrophobicContact CD1-CE1 3.77Å; L83-Y90 HydrophobicContact CG-CE1 4.34Å; F88-Y90 WeakPolarHBondContact O-CD1 3.47Å; Y90-F93 HydrophobicContact CD2-CB 4.27Å; Y90-F93 HydrophobicContact CE2-CB 3.86Å | ||
| 91 | D | 97.7 | Very high | 97.6 | Very high | 71 Ų | 71 | 58.2 Ų | 58.2 | 38% | 0.38 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -98.3 | -35.4 | 174.9 | -59.9 | -64.6 | 0 | 0 | 0 | 111.5 | K51 I57 | K51-D91 IonicContact NZ-OD1 2.73Å; K51-D91 PolarHBondContact NZ-OD1 3.27Å; K51-D91 IonicContact NZ-OD2 2.8Å; K51-D91 PolarHBondContact NZ-OD2 3.03Å; I57-D91 PolarHBondContact N-OD2 2.79Å; I57-D91 PolarHBondContact O-N 3.04Å |
| 92 | H | 97.1 | Very high | 97.5 | Very high | 49 Ų | 49 | 56.6 Ų | 56.6 | 23% | 0.227 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 138 | -174.4 | -59.8 | -34.4 | 0 | 0 | 0 | 111.5 | E56 I57 A58 I59 K109 | E56-H92 IonicContact OE2-NE2 2.75Å; I57-H92 PolarHBondContact O-N 2.83Å; A58-H92 HydrophobicContact CB-CB 4.33Å; I59-H92 PolarHBondContact N-O 2.87Å; H92-K109 PolarHBondContact CD2-NZ 2.67Å; H92-K109 PolarHBondContact CE1-NZ 2.74Å; H92-K109 PolarHBondContact NE2-NZ 3.45Å |
| 93 | F | 98.2 | Very high | 97.4 | Very high | 39 Ų | 39 | 56.9 Ų | 56.9 | 17% | 0.171 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 122.8 | 173.3 | 179.6 | -84.3 | 0 | 0 | 0 | 110.4 | M6 I59 T61 R76 K79 K80 L83 Y90 | M6-F93 HydrophobicContact SD-CE2 4.16Å; I59-F93 HydrophobicContact CB-CD2 3.98Å; I59-F93 HydrophobicContact CG2-CD2 3.88Å; I59-F93 HydrophobicContact CG2-CE2 4.01Å; T61-F93 HydrophobicContact CG2-CE2 4.24Å; T61-F93 HydrophobicContact CG2-CZ 4.1Å; R76-F93 HydrophobicContact CG-CE1 3.87Å; R76-F93 HydrophobicContact CG-CZ 4.42Å; K79-F93 HydrophobicContact CB-CE2 4.3Å; K79-F93 HydrophobicContact CB-CZ 4.2Å; K80-F93 HydrophobicContact CG-CD1 4.31Å; K80-F93 HydrophobicContact CG-CD2 4.22Å; K80-F93 HydrophobicContact CG-CE1 4.22Å; K80-F93 HydrophobicContact CG-CE2 4.11Å; K80-F93 HydrophobicContact CG-CG 4.32Å; K80-F93 HydrophobicContact CG-CZ 4.11Å; L83-F93 HydrophobicContact CD1-CD2 3.66Å; L83-F93 HydrophobicContact CD1-CE2 3.91Å; Y90-F93 HydrophobicContact CD2-CB 4.27Å; Y90-F93 HydrophobicContact CE2-CB 3.86Å |
| 94 | H | 98 | Very high | 97.2 | Very high | 40 Ų | 40 | 61 Ų | 61 | 19% | 0.185 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 88.5 | 179.4 | -59.5 | -78.2 | 0 | 0 | 0 | 110 | I59 I60 T61 L96 A105 | I59-H94 WeakPolarHBondContact O-CB 3.46Å; I59-H94 PolarHBondContact O-N 3.01Å; I60-H94 HydrophobicContact CB-CB 4.49Å; I60-H94 HydrophobicContact CG1-CB 4.4Å; I60-H94 HydrophobicContact CG2-CB 4.18Å; T61-H94 PolarHBondContact N-O 3.17Å; H94-L96 HydrophobicContact CB-CD2 4.25Å; H94-L96 HydrophobicContact CB-CG 4.49Å; H94-L96 PolarHBondContact O-N 3.08Å; H94-A105 HydrophobicContact CB-CB 4Å |
| 95 | G | 97.6 | Very high | 97 | Very high | 8 Ų | 8 | 55.2 Ų | 55.2 | 8% | 0.082 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 103 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | T61 R76 | T61-G95 WeakPolarHBondContact O-CA 3.48Å; R76-G95 PolarHBondContact NH2-O 3.19Å |
| 96 | L | 96.9 | Very high | 96.8 | Very high | 33 Ų | 33 | 49.6 Ų | 49.6 | 17% | 0.173 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 155.3 | -173 | -55.4 | -178.7 | 0 | 0 | 0 | 111.8 | I60 T61 W62 L63 H94 Y98 A100 K102 A105 | I60-L96 HydrophobicContact CG2-CD1 3.68Å; I60-L96 HydrophobicContact CG2-CG 4.31Å; T61-L96 PolarHBondContact O-N 2.81Å; W62-L96 CarbonylContact C-O 3.46Å; W62-L96 WeakPolarHBondContact CA-O 3.47Å; L63-L96 WeakPolarHBondContact CG-O 3.49Å; L63-L96 PolarHBondContact N-O 2.77Å; H94-L96 HydrophobicContact CB-CD2 4.25Å; H94-L96 HydrophobicContact CB-CG 4.49Å; H94-L96 PolarHBondContact O-N 3.08Å; L96-Y98 PolarHBondContact O-N 3.31Å; L96-A100 HydrophobicContact CB-CB 4.2Å; L96-K102 HydrophobicContact CD1-CG 4.35Å; L96-A105 HydrophobicContact CD1-CB 4.2Å; L96-A105 HydrophobicContact CD2-CB 4.2Å |
| 97 | K | 96.3 | Very high | 96.6 | Very high | 178 Ų | 178 | 52.4 Ų | 52.4 | 77% | 0.774 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -57 | 140.3 | 168.4 | -174.9 | 178 | 179.5 | 178.8 | 0 | 109.3 | G99 A100 | K97-G99 PolarHBondContact O-N 3.19Å; K97-A100 WeakPolarHBondContact O-CB 3.46Å; K97-A100 PolarHBondContact O-N 3.33Å |
| 98 | Y | 96.8 | Very high | 96.2 | Very high | 106 Ų | 106 | 62 Ų | 62 | 42% | 0.416 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 131.5 | 176.1 | -172.2 | -88.5 | 0 | 0 | 0 | 111.5 | W62 K65 L96 A100 | W62-Y98 HydrophobicContact CB-CD2 4.06Å; W62-Y98 HydrophobicContact CD2-CD2 4.25Å; W62-Y98 AromaticContact CE3-CD2 3.74Å; W62-Y98 HydrophobicContact CE3-CD2 3.74Å; W62-Y98 AromaticContact CE3-CE2 3.58Å; W62-Y98 HydrophobicContact CE3-CE2 3.58Å; W62-Y98 HydrophobicContact CE3-CG 4.3Å; W62-Y98 HydrophobicContact CG-CD2 4.42Å; W62-Y98 HydrophobicContact CZ3-CE1 4.49Å; W62-Y98 HydrophobicContact CZ3-CE2 4.09Å; K65-Y98 HydrophobicContact CB-CD1 3.88Å; K65-Y98 HydrophobicContact CB-CD2 3.8Å; K65-Y98 HydrophobicContact CB-CE1 4.09Å; K65-Y98 HydrophobicContact CB-CE2 4Å; K65-Y98 HydrophobicContact CB-CG 3.73Å; K65-Y98 HydrophobicContact CD-CD1 4.19Å; K65-Y98 HydrophobicContact CD-CE1 3.76Å; K65-Y98 HydrophobicContact CG-CD1 3.66Å; K65-Y98 HydrophobicContact CG-CD2 4.49Å; K65-Y98 HydrophobicContact CG-CE1 3.78Å; K65-Y98 HydrophobicContact CG-CG 4.04Å; L96-Y98 PolarHBondContact O-N 3.31Å; Y98-A100 VanDerWaalsContact C-N 3.33Å |
| 99 | G | 95.4 | Very high | 95.7 | Very high | 48 Ų | 48 | 67.4 Ų | 67.4 | 50% | 0.495 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -7.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | W62 K97 | W62-G99 VanDerWaalsContact CE2-N 3.27Å; W62-G99 VanDerWaalsContact CZ2-CA 3.43Å; K97-G99 PolarHBondContact O-N 3.19Å |
| 100 | A | 95.9 | Very high | 95.2 | Very high | 37 Ų | 37 | 67.1 Ų | 67.1 | 31% | 0.306 | 33% | 0.325 | S | S | . | . | trans | -67.4 | 144.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | W62 L96 K97 Y98 K102 | W62-A100 PolarHBondContact NE1-O 2.6Å; L96-A100 HydrophobicContact CB-CB 4.2Å; K97-A100 WeakPolarHBondContact O-CB 3.46Å; K97-A100 PolarHBondContact O-N 3.33Å; Y98-A100 VanDerWaalsContact C-N 3.33Å; A100-K102 PolarHBondContact O-N 3.14Å | ||
| 101 | T | 96.3 | Very high | 94.5 | Very high | 76 Ų | 76 | 68.7 Ų | 68.7 | 47% | 0.466 | 35% | 0.349 | S | S | . | . | trans | -66.1 | 115.2 | 179.3 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | A103 D104 | T101-A103 VanDerWaalsContact C-N 3.3Å; T101-A103 HydrophobicContact CG2-CB 4.19Å; T101-A103 PolarHBondContact O-N 2.75Å; T101-D104 WeakPolarHBondContact O-CB 3.36Å; T101-D104 PolarHBondContact O-N 3.4Å; T101-D104 VanDerWaalsContact O-N 3.14Å | ||
| 102 | K | 96.9 | Very high | 94.3 | Very high | 6 Ų | 6 | 71.7 Ų | 71.7 | 3% | 0.026 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -60.6 | -37 | -177.8 | -69.5 | -162.3 | -178.1 | -174.6 | 0 | 113.5 | D5 I60 L96 A100 D104 A105 D117 V122 W126 | D5-K102 IonicContact OD1-NZ 2.79Å; D5-K102 PolarHBondContact OD1-NZ 3.44Å; I60-K102 HydrophobicContact CB-CD 4.26Å; I60-K102 HydrophobicContact CG2-CB 3.73Å; I60-K102 HydrophobicContact CG2-CD 3.9Å; I60-K102 HydrophobicContact CG2-CG 3.78Å; I60-K102 WeakPolarHBondContact O-CD 3.4Å; I60-K102 VanDerWaalsContact O-CE 3.31Å; I60-K102 WeakPolarHBondContact O-CE 3.22Å; I60-K102 PolarHBondContact O-NZ 3.07Å; L96-K102 HydrophobicContact CD1-CG 4.35Å; A100-K102 PolarHBondContact O-N 3.14Å; K102-D104 PolarHBondContact O-N 3.45Å; K102-A105 WeakPolarHBondContact O-CB 3.45Å; K102-A105 PolarHBondContact O-N 2.77Å; K102-A105 VanDerWaalsContact O-N 3.08Å; K102-D117 WeakPolarHBondContact CE-OD2 3.09Å; K102-D117 IonicContact NZ-OD2 3.54Å; K102-D117 PolarHBondContact NZ-OD2 2.93Å; K102-V122 HydrophobicContact CB-CG1 4.46Å; K102-V122 HydrophobicContact CD-CG1 3.73Å; K102-V122 HydrophobicContact CG-CG1 4.06Å; K102-W126 HydrophobicContact CB-CZ3 4.12Å |
| 103 | A | 95.5 | Very high | 94.2 | Very high | 6 Ų | 6 | 69.4 Ų | 69.4 | 5% | 0.05 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -60.5 | -25.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T101 A105 V106 R107 W126 L128 | T101-A103 VanDerWaalsContact C-N 3.3Å; T101-A103 HydrophobicContact CG2-CB 4.19Å; T101-A103 PolarHBondContact O-N 2.75Å; A103-A105 PolarHBondContact O-N 2.67Å; A103-V106 PolarHBondContact O-N 2.98Å; A103-R107 VanDerWaalsContact O-CB 3.29Å; A103-R107 WeakPolarHBondContact O-CB 3.47Å; A103-R107 PolarHBondContact O-N 3.49Å; A103-R107 PolarHBondContact O-NE 3.18Å; A103-W126 HydrophobicContact CB-CE3 3.97Å; A103-W126 HydrophobicContact CB-CZ3 4.01Å; A103-L128 HydrophobicContact CB-CD1 3.89Å; A103-L128 HydrophobicContact CB-CG 4.2Å |
| 104 | D | 94.9 | Very high | 94.2 | Very high | 88 Ų | 88 | 68 Ų | 68 | 47% | 0.471 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -64.2 | -29.3 | 177.4 | -67.2 | -11.2 | 0 | 0 | 0 | 112 | T101 K102 V106 R107 | T101-D104 WeakPolarHBondContact O-CB 3.36Å; T101-D104 PolarHBondContact O-N 3.4Å; T101-D104 VanDerWaalsContact O-N 3.14Å; K102-D104 PolarHBondContact O-N 3.45Å; D104-V106 VanDerWaalsContact C-N 3.28Å; D104-V106 PolarHBondContact O-N 3.15Å; D104-R107 IonicContact OD1-CZ 3.19Å; D104-R107 IonicContact OD1-NE 2.6Å; D104-R107 PolarHBondContact OD1-NE 3.33Å; D104-R107 IonicContact OD1-NH1 3.33Å; D104-R107 PolarHBondContact OD1-NH1 2.91Å; D104-R107 IonicContact OD1-NH2 2.77Å; D104-R107 PolarHBondContact OD1-NH2 3.36Å |
| 105 | A | 94.7 | Very high | 94.3 | Very high | 25 Ų | 25 | 66.1 Ų | 66.1 | 21% | 0.207 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -68.7 | -25.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I60 H94 L96 K102 A103 | I60-A105 HydrophobicContact CG2-CB 4.19Å; H94-A105 HydrophobicContact CB-CB 4Å; L96-A105 HydrophobicContact CD1-CB 4.2Å; L96-A105 HydrophobicContact CD2-CB 4.2Å; K102-A105 WeakPolarHBondContact O-CB 3.45Å; K102-A105 PolarHBondContact O-N 2.77Å; K102-A105 VanDerWaalsContact O-N 3.08Å; A103-A105 PolarHBondContact O-N 2.67Å |
| 106 | V | 94.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | -13 | -170.5 | -64 | 0 | 0 | 0 | 0 | 115.1 | M1 A58 I60 A103 D104 R108 K109 A110 W126 L128 | M1-V106 HydrophobicContact SD-CB 3.95Å; M1-V106 HydrophobicContact SD-CG1 3.88Å; M1-V106 HydrophobicContact SD-CG2 4.47Å; A58-V106 HydrophobicContact CB-CG1 4.26Å; I60-V106 HydrophobicContact CD1-CB 4.37Å; I60-V106 HydrophobicContact CD1-CG1 3.55Å; I60-V106 HydrophobicContact CD1-CG2 3.88Å; I60-V106 HydrophobicContact CG1-CG1 4.32Å; A103-V106 PolarHBondContact O-N 2.98Å; D104-V106 VanDerWaalsContact C-N 3.28Å; D104-V106 PolarHBondContact O-N 3.15Å; V106-R108 PolarHBondContact O-N 3.28Å; V106-K109 WeakPolarHBondContact O-CA 3.26Å; V106-K109 PolarHBondContact O-N 2.81Å; V106-A110 PolarHBondContact O-N 3.42Å; V106-W126 HydrophobicContact CG2-CH2 3.75Å; V106-W126 HydrophobicContact CG2-CZ3 4.49Å; V106-L128 HydrophobicContact CG2-CD1 3.75Å |
| 107 | R | 92 | Very high | 94.4 | Very high | 133 Ų | 133 | 64.2 Ų | 64.2 | 50% | 0.502 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -22.3 | -176.5 | 65.3 | 176.1 | 58.4 | 173.1 | 1.1 | 115.8 | A103 D104 K109 L128 | A103-R107 VanDerWaalsContact O-CB 3.29Å; A103-R107 WeakPolarHBondContact O-CB 3.47Å; A103-R107 PolarHBondContact O-N 3.49Å; A103-R107 PolarHBondContact O-NE 3.18Å; D104-R107 IonicContact OD1-CZ 3.19Å; D104-R107 IonicContact OD1-NE 2.6Å; D104-R107 PolarHBondContact OD1-NE 3.33Å; D104-R107 IonicContact OD1-NH1 3.33Å; D104-R107 PolarHBondContact OD1-NH1 2.91Å; D104-R107 IonicContact OD1-NH2 2.77Å; D104-R107 PolarHBondContact OD1-NH2 3.36Å; R107-K109 VanDerWaalsContact C-N 3.34Å; R107-L128 HydrophobicContact CB-CD1 4.17Å; R107-L128 HydrophobicContact CB-CD2 4.09Å |
| 108 | R | 90.3 | Very high | 94.5 | Very high | 248 Ų | 248 | 56.8 Ų | 56.8 | 94% | 0.936 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -17 | 175.2 | -66.4 | -173.6 | -173.5 | 163.2 | 2.3 | 113 | V106 | V106-R108 PolarHBondContact O-N 3.28Š|
| 109 | K | 87.8 | Confident | 94.5 | Very high | 121 Ų | 121 | 54.3 Ų | 54.3 | 53% | 0.526 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -38.8 | -178.4 | -69.5 | -174.3 | 170.1 | -170.8 | 0 | 112.5 | M1 H92 V106 R107 | M1-K109 HydrophobicContact CE-CB 4.48Å; H92-K109 PolarHBondContact CD2-NZ 2.67Å; H92-K109 PolarHBondContact CE1-NZ 2.74Å; H92-K109 PolarHBondContact NE2-NZ 3.45Å; V106-K109 WeakPolarHBondContact O-CA 3.26Å; V106-K109 PolarHBondContact O-N 2.81Å; R107-K109 VanDerWaalsContact C-N 3.34Å |
| 110 | A | 87.3 | Confident | 94.6 | Very high | 11 Ų | 11 | 58.3 Ų | 58.3 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | trans | -123.2 | 124.3 | -176 | 0 | 0 | 0 | 0 | 0 | 111.1 | M1 V106 A113 | M1-A110 HydrophobicContact CB-CB 4.11Å; M1-A110 HydrophobicContact CE-CB 4.09Å; M1-A110 HydrophobicContact SD-CB 3.97Å; V106-A110 PolarHBondContact O-N 3.42Å; A110-A113 HydrophobicContact CB-CB 4.23Å | ||
| 111 | S | 84.2 | Confident | 94.7 | Very high | 120 Ų | 120 | 64.5 Ų | 64.5 | 84% | 0.839 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -80.4 | -28.3 | 169.4 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | ||
| 112 | K | 93.1 | Very high | 94.8 | Very high | 134 Ų | 134 | 61.7 Ų | 61.7 | 58% | 0.583 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -130.6 | 125.6 | 171.7 | -164.9 | 177.7 | -179.7 | -173.3 | 0 | 111.2 | L128 E130 | K112-L128 CarbonylContact C-O 3.56Å; K112-L128 VanDerWaalsContact CA-O 3.23Å; K112-L128 WeakPolarHBondContact CA-O 3.15Å; K112-E130 IonicContact NZ-OE1 2.66Å |
| 113 | A | 96.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | trans | -145.7 | 138.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | M1 A110 W126 L128 G129 | M1-A113 HydrophobicContact CB-CB 4.06Å; M1-A113 HydrophobicContact CG-CB 4.4Å; M1-A113 WeakPolarHBondContact O-CA 3.25Å; A110-A113 HydrophobicContact CB-CB 4.23Å; A113-W126 HydrophobicContact CB-CZ2 3.73Å; A113-W126 PolarHBondContact O-NE1 2.81Å; A113-L128 HydrophobicContact CB-CB 4.43Å; A113-L128 PolarHBondContact N-O 3.28Å; A113-L128 CarbonylContact O-C 3.55Å; A113-G129 WeakPolarHBondContact O-CA 3.34Å | ||
| 114 | I | 98.1 | Very high | 94.9 | Very high | 9 Ų | 9 | 68.5 Ų | 68.5 | 5% | 0.046 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 125.3 | 174.8 | -54 | 178.5 | 0 | 0 | 0 | 108 | M1 L2 A3 W55 E130 I132 F142 L146 | M1-I114 PolarHBondContact O-N 2.64Å; L2-I114 HydrophobicContact CD2-CB 3.85Å; L2-I114 HydrophobicContact CD2-CD1 4.12Å; L2-I114 HydrophobicContact CD2-CG1 4.32Å; A3-I114 PolarHBondContact N-O 3.03Å; W55-I114 HydrophobicContact CH2-CD1 4.02Å; W55-I114 HydrophobicContact CZ3-CD1 4.23Å; I114-E130 WeakPolarHBondContact CA-O 3.44Å; I114-E130 HydrophobicContact CG1-CB 4.4Å; I114-E130 HydrophobicContact CG2-CB 4.34Å; I114-I132 HydrophobicContact CG2-CG1 3.92Å; I114-F142 HydrophobicContact CD1-CZ 4.11Å; I114-F142 HydrophobicContact CG2-CE1 4.35Å; I114-F142 HydrophobicContact CG2-CZ 3.98Å; I114-L146 HydrophobicContact CD1-CD1 4.32Å; I114-L146 HydrophobicContact CD1-CD2 4.32Å |
| 115 | L | 98.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 129.8 | 176.6 | 174.6 | 71.4 | 0 | 0 | 0 | 110.8 | A3 D117 V122 R123 W126 E130 T131 I132 | A3-L115 HydrophobicContact CB-CD1 4.15Å; A3-L115 CarbonylContact O-C 3.59Å; A3-L115 WeakPolarHBondContact O-CA 3.45Å; L115-D117 HydrophobicContact CD1-CB 4.01Å; L115-D117 HydrophobicContact CD2-CB 3.88Å; L115-D117 HydrophobicContact CG-CB 3.76Å; L115-V122 HydrophobicContact CD2-CG1 4.12Å; L115-R123 HydrophobicContact CD2-CG 4.39Å; L115-W126 HydrophobicContact CB-CD2 3.64Å; L115-W126 HydrophobicContact CB-CE3 4.16Å; L115-W126 HydrophobicContact CB-CG 3.83Å; L115-W126 HydrophobicContact CB-CH2 4.49Å; L115-W126 HydrophobicContact CB-CZ2 4.03Å; L115-W126 HydrophobicContact CD1-CE3 4.22Å; L115-W126 HydrophobicContact CD1-CH2 4.43Å; L115-W126 HydrophobicContact CD1-CZ3 4.15Å; L115-W126 HydrophobicContact CD2-CB 3.78Å; L115-W126 HydrophobicContact CD2-CD2 3.8Å; L115-W126 HydrophobicContact CD2-CE3 3.78Å; L115-W126 HydrophobicContact CD2-CG 3.83Å; L115-W126 HydrophobicContact CG-CD2 4.19Å; L115-W126 HydrophobicContact CG-CE3 4.27Å; L115-W126 HydrophobicContact CG-CG 4.45Å; L115-E130 PolarHBondContact N-O 2.73Å; L115-T131 HydrophobicContact CB-CG2 4.14Å; L115-T131 HydrophobicContact CD2-CG2 4.33Å; L115-T131 CarbonylContact O-C 3.48Å; L115-T131 VanDerWaalsContact O-CA 3.23Å; L115-T131 WeakPolarHBondContact O-CA 3.2Å; L115-I132 PolarHBondContact O-N 3.31Å |
| 116 | I | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 111.3 | 169 | -53.6 | 83.6 | 0 | 0 | 0 | 106.9 | L2 A3 F4 D5 T9 I132 P134 L139 | L2-I116 HydrophobicContact CB-CD1 4.27Å; L2-I116 HydrophobicContact CD2-CD1 4.49Å; A3-I116 PolarHBondContact O-N 3.2Å; F4-I116 HydrophobicContact CD1-CB 3.9Å; F4-I116 HydrophobicContact CD1-CD1 4.02Å; F4-I116 HydrophobicContact CD1-CG1 4.1Å; F4-I116 HydrophobicContact CD1-CG2 4.26Å; F4-I116 HydrophobicContact CD2-CD1 4.29Å; F4-I116 HydrophobicContact CE1-CB 4.18Å; F4-I116 HydrophobicContact CE1-CD1 3.8Å; F4-I116 HydrophobicContact CE1-CG1 3.89Å; F4-I116 HydrophobicContact CE1-CG2 4.44Å; F4-I116 HydrophobicContact CE2-CD1 4.1Å; F4-I116 HydrophobicContact CG-CD1 4.26Å; F4-I116 HydrophobicContact CZ-CD1 3.86Å; F4-I116 HydrophobicContact CZ-CG1 4.39Å; D5-I116 PolarHBondContact N-O 2.99Å; T9-I116 HydrophobicContact CG2-CG2 3.84Å; I116-I132 HydrophobicContact CG1-CB 4.3Å; I116-P134 HydrophobicContact CG2-CB 4.35Å; I116-P134 HydrophobicContact CG2-CG 4.36Å; I116-L139 HydrophobicContact CG1-CD1 4.06Å; I116-L139 HydrophobicContact CG2-CD1 3.78Å; I116-L139 HydrophobicContact CG2-CD2 4.23Å |
| 117 | D | 98.6 | Very high | 95 | Very high | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | trans | -155.8 | 131.7 | -172.2 | -163.5 | -56.3 | 0 | 0 | 0 | 111 | D5 K102 L115 N119 V122 R123 I132 | D5-D117 HydrophobicContact CB-CB 4.09Å; D5-D117 WeakPolarHBondContact CB-OD2 3.34Å; K102-D117 WeakPolarHBondContact CE-OD2 3.09Å; K102-D117 IonicContact NZ-OD2 3.54Å; K102-D117 PolarHBondContact NZ-OD2 2.93Å; L115-D117 HydrophobicContact CD1-CB 4.01Å; L115-D117 HydrophobicContact CD2-CB 3.88Å; L115-D117 HydrophobicContact CG-CB 3.76Å; D117-N119 VanDerWaalsContact C-N 3.31Å; D117-N119 PolarHBondContact O-N 3.07Å; D117-N119 WeakPolarHBondContact OD1-CA 3.41Å; D117-N119 WeakPolarHBondContact OD1-CB 3.47Å; D117-N119 PolarHBondContact OD1-N 2.84Å; D117-V122 VanDerWaalsContact OD2-CG1 3.27Å; D117-V122 WeakPolarHBondContact OD2-CG1 3.37Å; D117-R123 HydrophobicContact CB-CG 4.11Å; D117-R123 VanDerWaalsContact O-CD 3.26Å; D117-R123 WeakPolarHBondContact O-CD 3.38Å; D117-R123 PolarHBondContact O-NH1 3.1Å; D117-I132 PolarHBondContact N-O 3.25Å; D117-I132 VanDerWaalsContact N-O 3.14Å | ||
| 118 | D | 98 | Very high | 95.2 | Very high | 22 Ų | 22 | 68.4 Ų | 68.4 | 12% | 0.118 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -73.5 | -21.9 | 179.7 | 89 | -49.1 | 0 | 0 | 0 | 113 | G8 T9 K120 R123 P134 K135 | G8-D118 WeakPolarHBondContact O-CB 3.32Å; T9-D118 PolarHBondContact OG1-N 3.39Å; T9-D118 VanDerWaalsContact OG1-N 3.12Å; D118-K120 PolarHBondContact O-N 3.24Å; D118-R123 PolarHBondContact O-NH1 2.73Å; D118-P134 HydrophobicContact CB-CG 4.34Å; D118-K135 HydrophobicContact CB-CD 4.11Å; D118-K135 HydrophobicContact CB-CG 4.44Å; D118-K135 WeakPolarHBondContact OD2-CE 3.49Å; D118-K135 IonicContact OD2-NZ 3.75Å; D118-K135 PolarHBondContact OD2-NZ 3.32Å |
| 119 | N | 97.7 | Very high | 95.5 | Very high | 55 Ų | 55 | 58.1 Ų | 58.1 | 29% | 0.294 | 30% | 0.3 | S | S | . | . | trans | -84.8 | 112.6 | -174.7 | -168.7 | -50.4 | 0 | 0 | 0 | 112.5 | D117 K121 V122 R123 | D117-N119 VanDerWaalsContact C-N 3.31Å; D117-N119 PolarHBondContact O-N 3.07Å; D117-N119 WeakPolarHBondContact OD1-CA 3.41Å; D117-N119 WeakPolarHBondContact OD1-CB 3.47Å; D117-N119 PolarHBondContact OD1-N 2.84Å; N119-K121 VanDerWaalsContact C-N 3.32Å; N119-K121 PolarHBondContact O-N 3.48Å; N119-K121 WeakPolarHBondContact OD1-CB 3.46Å; N119-K121 PolarHBondContact OD1-N 2.88Å; N119-V122 HydrophobicContact CB-CB 4.08Å; N119-V122 HydrophobicContact CB-CG2 3.81Å; N119-V122 PolarHBondContact O-N 2.77Å; N119-V122 VanDerWaalsContact O-N 3.08Å; N119-V122 PolarHBondContact OD1-N 3.46Å; N119-R123 PolarHBondContact O-N 3.36Å; N119-R123 PolarHBondContact O-NH1 3.27Å | ||
| 120 | K | 97.7 | Very high | 95.9 | Very high | 132 Ų | 132 | 57.2 Ų | 57.2 | 57% | 0.574 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -54.5 | -44.7 | -178.5 | -179.3 | 175.2 | 169 | 179.1 | 0 | 113.1 | D118 V122 R123 E124 | D118-K120 PolarHBondContact O-N 3.24Å; K120-V122 VanDerWaalsContact C-N 3.29Å; K120-V122 PolarHBondContact O-N 3.06Å; K120-R123 VanDerWaalsContact CA-CZ 3.49Å; K120-R123 VanDerWaalsContact CA-NH2 3.32Å; K120-R123 PolarHBondContact O-N 3.39Å; K120-E124 WeakPolarHBondContact CE-OE1 3.17Å; K120-E124 HydrophobicContact CG-CG 4.35Å; K120-E124 IonicContact NZ-OE1 3.71Å; K120-E124 WeakPolarHBondContact O-CG 3.26Å; K120-E124 PolarHBondContact O-N 2.92Å |
| 121 | K | 97.1 | Very high | 96.4 | Very high | 166 Ų | 166 | 59.1 Ų | 59.1 | 72% | 0.722 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64.3 | -36.8 | -179.1 | -177.4 | 178.1 | 178.6 | 177.8 | 0 | 111.7 | N119 G125 | N119-K121 VanDerWaalsContact C-N 3.32Å; N119-K121 PolarHBondContact O-N 3.48Å; N119-K121 WeakPolarHBondContact OD1-CB 3.46Å; N119-K121 PolarHBondContact OD1-N 2.88Å; K121-G125 PolarHBondContact O-N 3.03Å; K121-G125 VanDerWaalsContact O-N 3.14Å |
| 122 | V | 97.8 | Very high | 97.1 | Very high | 17 Ų | 17 | 54.4 Ų | 54.4 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.2 | -41.9 | 178 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | W62 K102 L115 D117 N119 K120 G125 W126 | W62-V122 HydrophobicContact CH2-CG2 3.66Å; W62-V122 HydrophobicContact CZ2-CG2 3.95Å; W62-V122 HydrophobicContact CZ3-CG2 4.27Å; K102-V122 HydrophobicContact CB-CG1 4.46Å; K102-V122 HydrophobicContact CD-CG1 3.73Å; K102-V122 HydrophobicContact CG-CG1 4.06Å; L115-V122 HydrophobicContact CD2-CG1 4.12Å; D117-V122 VanDerWaalsContact OD2-CG1 3.27Å; D117-V122 WeakPolarHBondContact OD2-CG1 3.37Å; N119-V122 HydrophobicContact CB-CB 4.08Å; N119-V122 HydrophobicContact CB-CG2 3.81Å; N119-V122 PolarHBondContact O-N 2.77Å; N119-V122 VanDerWaalsContact O-N 3.08Å; N119-V122 PolarHBondContact OD1-N 3.46Å; K120-V122 VanDerWaalsContact C-N 3.29Å; K120-V122 PolarHBondContact O-N 3.06Å; V122-G125 PolarHBondContact O-N 3.27Å; V122-W126 PolarHBondContact O-N 3.08Å |
| 123 | R | 98.3 | Very high | 97.3 | Very high | 35 Ų | 35 | 49.5 Ų | 49.5 | 13% | 0.132 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 174 | -68.1 | -167 | -56.8 | -73.5 | 3.3 | 112.7 | L115 D117 D118 N119 K120 G125 W126 T131 | L115-R123 HydrophobicContact CD2-CG 4.39Å; D117-R123 HydrophobicContact CB-CG 4.11Å; D117-R123 VanDerWaalsContact O-CD 3.26Å; D117-R123 WeakPolarHBondContact O-CD 3.38Å; D117-R123 PolarHBondContact O-NH1 3.1Å; D118-R123 PolarHBondContact O-NH1 2.73Å; N119-R123 PolarHBondContact O-N 3.36Å; N119-R123 PolarHBondContact O-NH1 3.27Å; K120-R123 VanDerWaalsContact CA-CZ 3.49Å; K120-R123 VanDerWaalsContact CA-NH2 3.32Å; K120-R123 PolarHBondContact O-N 3.39Å; R123-G125 PolarHBondContact O-N 3.32Å; R123-W126 WeakPolarHBondContact O-CB 3.34Å; R123-W126 PolarHBondContact O-N 2.76Å; R123-T131 HydrophobicContact CB-CG2 4.17Å; R123-T131 HydrophobicContact CG-CG2 4.48Å |
| 124 | E | 97.2 | Very high | 97.3 | Very high | 120 Ų | 120 | 49.7 Ų | 49.7 | 56% | 0.561 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.2 | -31.3 | 178 | -72.9 | 172.3 | 159.7 | 0 | 0 | 112.7 | K120 W126 H127 | K120-E124 WeakPolarHBondContact CE-OE1 3.17Å; K120-E124 HydrophobicContact CG-CG 4.35Å; K120-E124 IonicContact NZ-OE1 3.71Å; K120-E124 WeakPolarHBondContact O-CG 3.26Å; K120-E124 PolarHBondContact O-N 2.92Å; E124-W126 VanDerWaalsContact C-N 3.31Å; E124-H127 PolarHBondContact O-CE1 3.29Å; E124-H127 VanDerWaalsContact O-CE1 3.26Å |
| 125 | G | 95.7 | Very high | 97.1 | Very high | 39 Ų | 39 | 54.7 Ų | 54.7 | 40% | 0.402 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | K121 V122 R123 | K121-G125 PolarHBondContact O-N 3.03Å; K121-G125 VanDerWaalsContact O-N 3.14Å; V122-G125 PolarHBondContact O-N 3.27Å; R123-G125 PolarHBondContact O-N 3.32Å |
| 126 | W | 97.1 | Very high | 97 | Very high | 11 Ų | 11 | 60.3 Ų | 60.3 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | trans | -90.8 | 114 | 179 | -171.6 | -97.7 | 0 | 0 | 0 | 110.8 | A3 I60 K102 A103 V106 A113 L115 V122 R123 E124 L128 T131 | A3-W126 HydrophobicContact CB-CH2 3.82Å; A3-W126 HydrophobicContact CB-CZ2 4.1Å; I60-W126 HydrophobicContact CD1-CH2 4.15Å; I60-W126 HydrophobicContact CD1-CZ3 4.41Å; K102-W126 HydrophobicContact CB-CZ3 4.12Å; A103-W126 HydrophobicContact CB-CE3 3.97Å; A103-W126 HydrophobicContact CB-CZ3 4.01Å; V106-W126 HydrophobicContact CG2-CH2 3.75Å; V106-W126 HydrophobicContact CG2-CZ3 4.49Å; A113-W126 HydrophobicContact CB-CZ2 3.73Å; A113-W126 PolarHBondContact O-NE1 2.81Å; L115-W126 HydrophobicContact CB-CD2 3.64Å; L115-W126 HydrophobicContact CB-CE3 4.16Å; L115-W126 HydrophobicContact CB-CG 3.83Å; L115-W126 HydrophobicContact CB-CH2 4.49Å; L115-W126 HydrophobicContact CB-CZ2 4.03Å; L115-W126 HydrophobicContact CD1-CE3 4.22Å; L115-W126 HydrophobicContact CD1-CH2 4.43Å; L115-W126 HydrophobicContact CD1-CZ3 4.15Å; L115-W126 HydrophobicContact CD2-CB 3.78Å; L115-W126 HydrophobicContact CD2-CD2 3.8Å; L115-W126 HydrophobicContact CD2-CE3 3.78Å; L115-W126 HydrophobicContact CD2-CG 3.83Å; L115-W126 HydrophobicContact CG-CD2 4.19Å; L115-W126 HydrophobicContact CG-CE3 4.27Å; L115-W126 HydrophobicContact CG-CG 4.45Å; V122-W126 PolarHBondContact O-N 3.08Å; R123-W126 WeakPolarHBondContact O-CB 3.34Å; R123-W126 PolarHBondContact O-N 2.76Å; E124-W126 VanDerWaalsContact C-N 3.31Å; W126-L128 HydrophobicContact CH2-CD1 4.08Å; W126-L128 HydrophobicContact CZ2-CB 3.96Å; W126-L128 HydrophobicContact CZ2-CD1 4.04Å; W126-T131 HydrophobicContact CB-CG2 3.63Å; W126-T131 HydrophobicContact CG-CG2 3.87Å | ||
| 127 | H | 94.5 | Very high | 96.8 | Very high | 164 Ų | 164 | 62.5 Ų | 62.5 | 76% | 0.759 | 33% | 0.325 | S | S | * | . | trans | -118.5 | 16.5 | -178.6 | -53.8 | -45.5 | 0 | 0 | 0 | 113 | E124 | E124-H127 PolarHBondContact O-CE1 3.29Å; E124-H127 VanDerWaalsContact O-CE1 3.26Å | ||
| 128 | L | 95.7 | Very high | 96.7 | Very high | 30 Ų | 30 | 65.9 Ų | 65.9 | 16% | 0.157 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -92.8 | 0.5 | 174.7 | -62.9 | 177.2 | 0 | 0 | 0 | 112.6 | A103 V106 R107 K112 A113 W126 | A103-L128 HydrophobicContact CB-CD1 3.89Å; A103-L128 HydrophobicContact CB-CG 4.2Å; V106-L128 HydrophobicContact CG2-CD1 3.75Å; R107-L128 HydrophobicContact CB-CD1 4.17Å; R107-L128 HydrophobicContact CB-CD2 4.09Å; K112-L128 CarbonylContact C-O 3.56Å; K112-L128 VanDerWaalsContact CA-O 3.23Å; K112-L128 WeakPolarHBondContact CA-O 3.15Å; A113-L128 HydrophobicContact CB-CB 4.43Å; A113-L128 PolarHBondContact N-O 3.28Å; A113-L128 CarbonylContact O-C 3.55Å; W126-L128 HydrophobicContact CH2-CD1 4.08Å; W126-L128 HydrophobicContact CZ2-CB 3.96Å; W126-L128 HydrophobicContact CZ2-CD1 4.04Å |
| 129 | G | 95.8 | Very high | 96.7 | Very high | 33 Ų | 33 | 64.9 Ų | 64.9 | 34% | 0.34 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 151.2 | -154.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A113 | A113-G129 WeakPolarHBondContact O-CA 3.34Š|
| 130 | E | 96.6 | Very high | 96.7 | Very high | 101 Ų | 101 | 63.7 Ų | 63.7 | 47% | 0.472 | 33% | 0.332 | S | S | . | . | trans | -70.5 | 158.3 | -178.3 | -68.1 | 160.6 | -130.7 | 0 | 0 | 111.9 | K112 I114 L115 | K112-E130 IonicContact NZ-OE1 2.66Å; I114-E130 WeakPolarHBondContact CA-O 3.44Å; I114-E130 HydrophobicContact CG1-CB 4.4Å; I114-E130 HydrophobicContact CG2-CB 4.34Å; L115-E130 PolarHBondContact N-O 2.73Å | ||
| 131 | T | 98.1 | Very high | 96.7 | Very high | 52 Ų | 52 | 62.8 Ų | 62.8 | 32% | 0.319 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 142.6 | 174.6 | 71.5 | 0 | 0 | 0 | 0 | 110.7 | L115 R123 W126 | L115-T131 HydrophobicContact CB-CG2 4.14Å; L115-T131 HydrophobicContact CD2-CG2 4.33Å; L115-T131 CarbonylContact O-C 3.48Å; L115-T131 VanDerWaalsContact O-CA 3.23Å; L115-T131 WeakPolarHBondContact O-CA 3.2Å; R123-T131 HydrophobicContact CB-CG2 4.17Å; R123-T131 HydrophobicContact CG-CG2 4.48Å; W126-T131 HydrophobicContact CB-CG2 3.63Å; W126-T131 HydrophobicContact CG-CG2 3.87Å |
| 132 | I | 98.3 | Very high | 96.7 | Very high | 20 Ų | 20 | 56.2 Ų | 56.2 | 10% | 0.103 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 130 | -179.2 | -55.2 | -60.8 | 0 | 0 | 0 | 108.5 | I114 L115 I116 D117 P134 C137 F142 | I114-I132 HydrophobicContact CG2-CG1 3.92Å; L115-I132 PolarHBondContact O-N 3.31Å; I116-I132 HydrophobicContact CG1-CB 4.3Å; D117-I132 PolarHBondContact N-O 3.25Å; D117-I132 VanDerWaalsContact N-O 3.14Å; I132-P134 WeakPolarHBondContact O-CD 3.21Å; I132-C137 HydrophobicContact CG2-CB 4.09Å; I132-F142 HydrophobicContact CD1-CD2 3.79Å; I132-F142 HydrophobicContact CD1-CE1 4.24Å; I132-F142 HydrophobicContact CD1-CE2 3.47Å; I132-F142 VanDerWaalsContact CD1-CE2 3.47Å; I132-F142 HydrophobicContact CD1-CG 4.3Å; I132-F142 HydrophobicContact CD1-CZ 3.72Å; I132-F142 HydrophobicContact CG1-CD1 4.06Å; I132-F142 HydrophobicContact CG1-CD2 4.23Å; I132-F142 HydrophobicContact CG1-CE1 3.69Å; I132-F142 HydrophobicContact CG1-CE2 3.87Å; I132-F142 HydrophobicContact CG1-CG 4.33Å; I132-F142 HydrophobicContact CG1-CZ 3.59Å; I132-F142 HydrophobicContact CG2-CD1 4.45Å; I132-F142 HydrophobicContact CG2-CG 4.5Å |
| 133 | N | 98 | Very high | 96.7 | Very high | 31 Ų | 31 | 55.4 Ų | 55.4 | 17% | 0.166 | 30% | 0.299 | C | S | . | . | trans | -95.4 | 106.2 | 170.8 | 178.6 | 17.1 | 0 | 0 | 0 | 109.3 | K135 T136 C137 | N133-K135 PolarHBondContact O-N 3.01Å; N133-K135 VanDerWaalsContact O-N 3.1Å; N133-K135 WeakPolarHBondContact OD1-CB 3.4Å; N133-K135 PolarHBondContact OD1-N 3.26Å; N133-K135 VanDerWaalsContact OD1-N 3.15Å; N133-T136 PolarHBondContact ND2-OG1 3.09Å; N133-T136 PolarHBondContact O-N 3.3Å; N133-T136 VanDerWaalsContact O-N 3.11Å; N133-C137 WeakPolarHBondContact O-CB 3.35Å; N133-C137 PolarHBondContact O-N 3.01Å; N133-C137 VanDerWaalsContact O-N 3.07Å | ||
| 134 | P | 96.3 | Very high | 96.7 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.032 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -18 | -178.8 | 29.9 | -38 | 0 | 0 | 0 | 112.5 | T9 W38 I116 D118 I132 T136 | T9-P134 HydrophobicContact CG2-CG 4.07Å; W38-P134 HydrophobicContact CZ2-CB 3.86Å; W38-P134 WeakPolarHBondContact CZ2-O 3.48Å; I116-P134 HydrophobicContact CG2-CB 4.35Å; I116-P134 HydrophobicContact CG2-CG 4.36Å; D118-P134 HydrophobicContact CB-CG 4.34Å; I132-P134 WeakPolarHBondContact O-CD 3.21Å; P134-T136 VanDerWaalsContact C-N 3.28Å; P134-T136 PolarHBondContact O-N 3.14Å |
| 135 | K | 93.8 | Very high | 96.7 | Very high | 115 Ų | 115 | 54 Ų | 54 | 50% | 0.5 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -14.2 | 178.1 | -67.3 | 178.1 | 169.2 | 167.9 | 0 | 113.9 | D118 N133 | D118-K135 HydrophobicContact CB-CD 4.11Å; D118-K135 HydrophobicContact CB-CG 4.44Å; D118-K135 WeakPolarHBondContact OD2-CE 3.49Å; D118-K135 IonicContact OD2-NZ 3.75Å; D118-K135 PolarHBondContact OD2-NZ 3.32Å; N133-K135 PolarHBondContact O-N 3.01Å; N133-K135 VanDerWaalsContact O-N 3.1Å; N133-K135 WeakPolarHBondContact OD1-CB 3.4Å; N133-K135 PolarHBondContact OD1-N 3.26Å; N133-K135 VanDerWaalsContact OD1-N 3.15Å |
| 136 | T | 95.8 | Very high | 96.8 | Very high | 118 Ų | 118 | 54.1 Ų | 54.1 | 72% | 0.724 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.9 | 0.5 | -176.3 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | N133 P134 | N133-T136 PolarHBondContact ND2-OG1 3.09Å; N133-T136 PolarHBondContact O-N 3.3Å; N133-T136 VanDerWaalsContact O-N 3.11Å; P134-T136 VanDerWaalsContact C-N 3.28Å; P134-T136 PolarHBondContact O-N 3.14Å |
| 137 | C | 95.1 | Very high | 96.7 | Very high | 46 Ų | 46 | 59.3 Ų | 59.3 | 31% | 0.311 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -133.9 | 130.6 | 179.3 | 176 | 0 | 0 | 0 | 0 | 107.4 | W38 I132 N133 L139 | W38-C137 WeakPolarHBondContact CH2-O 3.23Å; I132-C137 HydrophobicContact CG2-CB 4.09Å; N133-C137 WeakPolarHBondContact O-CB 3.35Å; N133-C137 PolarHBondContact O-N 3.01Å; N133-C137 VanDerWaalsContact O-N 3.07Å; C137-L139 PolarHBondContact O-N 3.04Å; C137-L139 VanDerWaalsContact O-N 3.12Å |
| 138 | D | 96.4 | Very high | 96.8 | Very high | 72 Ų | 72 | 54.1 Ų | 54.1 | 39% | 0.385 | 31% | 0.309 | S | S | . | . | trans | -65.1 | 112 | 173.6 | -168.4 | -59 | 0 | 0 | 0 | 109.1 | W38 I140 D141 F142 | W38-D138 HydrophobicContact CZ3-CB 4.47Å; D138-I140 VanDerWaalsContact C-N 3.3Å; D138-I140 PolarHBondContact O-N 3.21Å; D138-I140 WeakPolarHBondContact OD1-CA 3.41Å; D138-I140 WeakPolarHBondContact OD1-CB 3.44Å; D138-I140 PolarHBondContact OD1-N 3.29Å; D138-D141 HydrophobicContact CB-CB 4.07Å; D138-D141 PolarHBondContact OD1-N 3.3Å; D138-F142 WeakPolarHBondContact O-CB 3.36Å; D138-F142 PolarHBondContact O-N 3.18Å | ||
| 139 | L | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.3 | -31.8 | -175.2 | -178.9 | 59.1 | 0 | 0 | 0 | 111.5 | F4 W38 L43 I116 C137 F142 L143 | F4-L139 HydrophobicContact CE1-CD1 4.37Å; F4-L139 HydrophobicContact CE1-CD2 4.28Å; W38-L139 HydrophobicContact CD2-CB 3.88Å; W38-L139 VanDerWaalsContact CE2-CB 3.47Å; W38-L139 HydrophobicContact CE3-CB 4.21Å; W38-L139 HydrophobicContact CG-CD2 4.42Å; W38-L139 HydrophobicContact CH2-CB 3.9Å; W38-L139 HydrophobicContact CZ2-CB 3.48Å; W38-L139 VanDerWaalsContact CZ2-CB 3.48Å; W38-L139 HydrophobicContact CZ3-CB 4.22Å; L43-L139 HydrophobicContact CD2-CD2 4.18Å; L43-L139 HydrophobicContact CD2-CG 4.44Å; I116-L139 HydrophobicContact CG1-CD1 4.06Å; I116-L139 HydrophobicContact CG2-CD1 3.78Å; I116-L139 HydrophobicContact CG2-CD2 4.23Å; C137-L139 PolarHBondContact O-N 3.04Å; C137-L139 VanDerWaalsContact O-N 3.12Å; L139-F142 HydrophobicContact CD1-CD1 4.24Å; L139-L143 HydrophobicContact CD1-CD1 4.11Å; L139-L143 HydrophobicContact CD1-CD2 4.44Å; L139-L143 HydrophobicContact CD1-CG 3.99Å; L139-L143 HydrophobicContact CG-CD1 4.03Å; L139-L143 HydrophobicContact CG-CG 4.34Å; L139-L143 WeakPolarHBondContact O-CB 3.45Å; L139-L143 WeakPolarHBondContact O-CG 2.78Å; L139-L143 PolarHBondContact O-N 2.96Å |
| 140 | I | 97.5 | Very high | 96.9 | Very high | 31 Ų | 31 | 56.6 Ų | 56.6 | 16% | 0.159 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.8 | -48.2 | 179.7 | -66 | 176.9 | 0 | 0 | 0 | 108.9 | W38 D39 K42 L46 D138 F142 L143 A144 | W38-I140 HydrophobicContact CE3-CD1 4.48Å; W38-I140 HydrophobicContact CE3-CG1 4.31Å; D39-I140 HydrophobicContact CB-CD1 3.93Å; K42-I140 HydrophobicContact CB-CD1 4.13Å; K42-I140 HydrophobicContact CD-CD1 4.25Å; L46-I140 HydrophobicContact CD1-CB 4.44Å; L46-I140 HydrophobicContact CD1-CG2 3.73Å; L46-I140 WeakPolarHBondContact CD1-O 3.49Å; D138-I140 VanDerWaalsContact C-N 3.3Å; D138-I140 PolarHBondContact O-N 3.21Å; D138-I140 WeakPolarHBondContact OD1-CA 3.41Å; D138-I140 WeakPolarHBondContact OD1-CB 3.44Å; D138-I140 PolarHBondContact OD1-N 3.29Å; I140-F142 VanDerWaalsContact C-N 3.34Å; I140-F142 PolarHBondContact O-N 2.9Å; I140-L143 PolarHBondContact O-N 3.32Å; I140-A144 WeakPolarHBondContact O-CB 3.31Å; I140-A144 PolarHBondContact O-N 2.95Å |
| 141 | D | 97.9 | Very high | 96.9 | Very high | 113 Ų | 113 | 54 Ų | 54 | 60% | 0.604 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.1 | -41.9 | 177.5 | -71.3 | -15 | 0 | 0 | 0 | 111.7 | D138 A144 S145 | D138-D141 HydrophobicContact CB-CB 4.07Å; D138-D141 PolarHBondContact OD1-N 3.3Å; D141-A144 PolarHBondContact O-N 3.43Å; D141-S145 PolarHBondContact O-N 3.31Å |
| 142 | F | 98 | Very high | 96.8 | Very high | 27 Ų | 27 | 54.1 Ų | 54.1 | 12% | 0.118 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.1 | -51.1 | 175.8 | 170.7 | -102 | 0 | 0 | 0 | 111.5 | I114 I132 D138 L139 I140 A144 S145 L146 | I114-F142 HydrophobicContact CD1-CZ 4.11Å; I114-F142 HydrophobicContact CG2-CE1 4.35Å; I114-F142 HydrophobicContact CG2-CZ 3.98Å; I132-F142 HydrophobicContact CD1-CD2 3.79Å; I132-F142 HydrophobicContact CD1-CE1 4.24Å; I132-F142 HydrophobicContact CD1-CE2 3.47Å; I132-F142 VanDerWaalsContact CD1-CE2 3.47Å; I132-F142 HydrophobicContact CD1-CG 4.3Å; I132-F142 HydrophobicContact CD1-CZ 3.72Å; I132-F142 HydrophobicContact CG1-CD1 4.06Å; I132-F142 HydrophobicContact CG1-CD2 4.23Å; I132-F142 HydrophobicContact CG1-CE1 3.69Å; I132-F142 HydrophobicContact CG1-CE2 3.87Å; I132-F142 HydrophobicContact CG1-CG 4.33Å; I132-F142 HydrophobicContact CG1-CZ 3.59Å; I132-F142 HydrophobicContact CG2-CD1 4.45Å; I132-F142 HydrophobicContact CG2-CG 4.5Å; D138-F142 WeakPolarHBondContact O-CB 3.36Å; D138-F142 PolarHBondContact O-N 3.18Å; L139-F142 HydrophobicContact CD1-CD1 4.24Å; I140-F142 VanDerWaalsContact C-N 3.34Å; I140-F142 PolarHBondContact O-N 2.9Å; F142-A144 VanDerWaalsContact C-N 3.29Å; F142-A144 PolarHBondContact O-N 3.32Å; F142-S145 WeakPolarHBondContact O-CB 3.36Å; F142-S145 PolarHBondContact O-N 3.23Å; F142-S145 VanDerWaalsContact O-N 3.12Å; F142-S145 PolarHBondContact O-OG 3.04Å; F142-L146 HydrophobicContact CE1-CD1 3.76Å; F142-L146 HydrophobicContact CE1-CG 4.44Å; F142-L146 HydrophobicContact CE2-CD2 4.44Å; F142-L146 HydrophobicContact CZ-CD1 3.78Å; F142-L146 HydrophobicContact CZ-CD2 4.24Å; F142-L146 HydrophobicContact CZ-CG 4.19Å |
| 143 | L | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.2 | -36.1 | -180 | -68.6 | 176.2 | 0 | 0 | 0 | 112.1 | L2 F4 L43 L46 I47 L50 L139 I140 S145 L146 | L2-L143 HydrophobicContact CD1-CD2 3.66Å; F4-L143 HydrophobicContact CE1-CD1 4.45Å; F4-L143 HydrophobicContact CZ-CD1 4.24Å; F4-L143 HydrophobicContact CZ-CD2 4.06Å; L43-L143 HydrophobicContact CD2-CD1 3.43Å; L43-L143 VanDerWaalsContact CD2-CD1 3.43Å; L46-L143 HydrophobicContact CB-CB 4.39Å; L46-L143 HydrophobicContact CD1-CB 4.15Å; I47-L143 HydrophobicContact CG1-CD1 4.35Å; L50-L143 HydrophobicContact CD1-CB 4.1Å; L50-L143 HydrophobicContact CD1-CD2 3.92Å; L139-L143 HydrophobicContact CD1-CD1 4.11Å; L139-L143 HydrophobicContact CD1-CD2 4.44Å; L139-L143 HydrophobicContact CD1-CG 3.99Å; L139-L143 HydrophobicContact CG-CD1 4.03Å; L139-L143 HydrophobicContact CG-CG 4.34Å; L139-L143 WeakPolarHBondContact O-CB 3.45Å; L139-L143 WeakPolarHBondContact O-CG 2.78Å; L139-L143 PolarHBondContact O-N 2.96Å; I140-L143 PolarHBondContact O-N 3.32Å; L143-S145 VanDerWaalsContact C-N 3.27Å; L143-S145 PolarHBondContact O-N 3.2Å; L143-L146 HydrophobicContact CD2-CD1 4.4Å; L143-L146 PolarHBondContact O-N 3.26Å |
| 144 | A | 97.9 | Very high | 96.6 | Very high | 43 Ų | 43 | 58.2 Ų | 58.2 | 36% | 0.355 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.5 | -34 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L46 I140 D141 F142 L146 L147 | L46-A144 HydrophobicContact CD1-CB 4.33Å; L46-A144 HydrophobicContact CD2-CB 4.05Å; I140-A144 WeakPolarHBondContact O-CB 3.31Å; I140-A144 PolarHBondContact O-N 2.95Å; D141-A144 PolarHBondContact O-N 3.43Å; F142-A144 VanDerWaalsContact C-N 3.29Å; F142-A144 PolarHBondContact O-N 3.32Å; A144-L146 PolarHBondContact O-N 3.11Å; A144-L147 PolarHBondContact O-N 3.1Å |
| 145 | S | 97.6 | Very high | 96.7 | Very high | 84 Ų | 84 | 62.3 Ų | 62.3 | 59% | 0.587 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -11.8 | 177.3 | 77.3 | 0 | 0 | 0 | 0 | 115.1 | D141 F142 L143 | D141-S145 PolarHBondContact O-N 3.31Å; F142-S145 WeakPolarHBondContact O-CB 3.36Å; F142-S145 PolarHBondContact O-N 3.23Å; F142-S145 VanDerWaalsContact O-N 3.12Å; F142-S145 PolarHBondContact O-OG 3.04Å; L143-S145 VanDerWaalsContact C-N 3.27Å; L143-S145 PolarHBondContact O-N 3.2Å |
| 146 | L | 97.3 | Very high | 96.9 | Very high | 40 Ų | 40 | 57.9 Ų | 57.9 | 21% | 0.209 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -5.6 | 178.4 | -63.9 | -179.1 | 0 | 0 | 0 | 113.6 | L2 L50 W55 I114 F142 L143 A144 | L2-L146 HydrophobicContact CD1-CD1 4.31Å; L2-L146 HydrophobicContact CD2-CD1 3.87Å; L50-L146 HydrophobicContact CD2-CB 3.6Å; W55-L146 HydrophobicContact CH2-CD1 4.49Å; W55-L146 HydrophobicContact CZ2-CB 4.41Å; W55-L146 HydrophobicContact CZ2-CD1 4.43Å; W55-L146 HydrophobicContact CZ2-CD2 4.38Å; I114-L146 HydrophobicContact CD1-CD1 4.32Å; I114-L146 HydrophobicContact CD1-CD2 4.32Å; F142-L146 HydrophobicContact CE1-CD1 3.76Å; F142-L146 HydrophobicContact CE1-CG 4.44Å; F142-L146 HydrophobicContact CE2-CD2 4.44Å; F142-L146 HydrophobicContact CZ-CD1 3.78Å; F142-L146 HydrophobicContact CZ-CD2 4.24Å; F142-L146 HydrophobicContact CZ-CG 4.19Å; L143-L146 HydrophobicContact CD2-CD1 4.4Å; L143-L146 PolarHBondContact O-N 3.26Å; A144-L146 PolarHBondContact O-N 3.11Å |
| 147 | L | 94.3 | Very high | 97 | Very high | 121 Ų | 121 | 52.5 Ų | 52.5 | 63% | 0.634 | 31% | 0.306 | S | S | * | . | trans | -86.4 | 0 | 174.4 | -68 | 173.8 | 0 | 0 | 0 | 110.9 | L46 K49 L50 A144 | L46-L147 HydrophobicContact CD2-CD1 3.69Å; K49-L147 HydrophobicContact CB-CD1 3.96Å; K49-L147 HydrophobicContact CB-CD2 3.61Å; K49-L147 HydrophobicContact CB-CG 4.46Å; K49-L147 HydrophobicContact CD-CD1 3.91Å; L50-L147 HydrophobicContact CD2-CD2 3.72Å; L50-L147 HydrophobicContact CD2-CG 4.04Å; L50-L147 HydrophobicContact CG-CD2 3.84Å; L50-L147 HydrophobicContact CG-CG 4.27Å; A144-L147 PolarHBondContact O-N 3.1Å |
Retrieved 147 of 147 residues in 100.3 ms
(Link to these results)