A0A096N0N5_PAPAN Loading...

F-box protein 6

AlphaFold DB , UniProt , Accession A0A096N0N5, Species PAPAN (Papio anubis, Olive baboon), Gene FBXO6, Length 293 aa.

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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
1M44.3Very low54.5Low248 Ų248139.4 Ų139.4100%1.22280%0.796SS**  091.60-78.7177.7176.100105.7A3M1-A3 PolarHBondContact O-N 3.11Å
2D45.1Very low57.2Low167 Ų167131.4 Ų131.489%0.89376%0.755SS**PPolyproline II helixtrans-72.3122.1175.1-77.5-36.6000108.4
3A48.3Very low59.8Low85 Ų85127.5 Ų127.570%0.70273%0.728SS**PPolyproline II helixtrans-64.4132.3171.500000108.4M1 H5M1-A3 PolarHBondContact O-N 3.11Å; A3-H5 PolarHBondContact O-N 3.35Å; A3-H5 VanDerWaalsContact O-N 3.14Å
4P54.4Low62.1Low123 Ų123122.9 Ų122.980%0.79970%0.7SS**PPolyproline II helixtrans-65.2119.7175.226.6-31.2000108.4
5H50.5Low64.2Low180 Ų180122.3 Ų122.383%0.83369%0.69SS**PPolyproline II helixtrans-52.8130.2168.4-82.9-63000109.2A3 K7A3-H5 PolarHBondContact O-N 3.35Å; A3-H5 VanDerWaalsContact O-N 3.14Å; H5-K7 PolarHBondContact O-N 3.1Å; H5-K7 VanDerWaalsContact O-N 3.16Å
6P53.9Low66Low120 Ų120117.4 Ų117.478%0.77966%0.661SS**PPolyproline II helixtrans-63.6121.8174.226.5-31.2000107.8A8P6-A8 PolarHBondContact O-N 3.3Å
7K54.8Low67.7Low207 Ų207115.5 Ų115.590%0.965%0.654SS**  trans-59.5111.5164.2-82.9-178.9174.4179.10106.3H5 A9H5-K7 PolarHBondContact O-N 3.1Å; H5-K7 VanDerWaalsContact O-N 3.16Å; K7-A9 PolarHBondContact O-N 3.15Å
8A58.4Low69.3Low99 Ų99115.4 Ų115.482%0.81865%0.648SS**  trans-53.1116.2169.500000107.6P6 L10P6-A8 PolarHBondContact O-N 3.3Å; A8-L10 PolarHBondContact O-N 3.13Å
9A58.8Low70.6Confident65 Ų65114.1 Ų114.154%0.53764%0.639SS.*  trans-66.1130.1168.300000106.4K7 D11K7-A9 PolarHBondContact O-N 3.15Å; A9-D11 VanDerWaalsContact C-N 3.29Å; A9-D11 WeakPolarHBondContact CB-OD1 3.45Å; A9-D11 PolarHBondContact O-N 3.44Å
10L60.9Low71.8Confident99 Ų99112.3 Ų112.352%0.51863%0.627SS.*  trans-71.893.7171.6-168.188.6000106.4A8 S12 E15 L16A8-L10 PolarHBondContact O-N 3.13Å; L10-S12 PolarHBondContact O-N 3.38Å; L10-E15 HydrophobicContact CD1-CB 3.6Å; L10-E15 HydrophobicContact CG-CB 4.28Å; L10-L16 HydrophobicContact CD1-CD2 4.3Å; L10-L16 HydrophobicContact CD2-CD2 3.45Å; L10-L16 VanDerWaalsContact CD2-CD2 3.45Å; L10-L16 HydrophobicContact CD2-CG 3.84Å
11D70.4Confident73Confident140 Ų140107 Ų10775%0.74960%0.597SS**  trans-77.7-13.3-171.2-72.5-27.1000111.6A9 E15A9-D11 VanDerWaalsContact C-N 3.29Å; A9-D11 WeakPolarHBondContact CB-OD1 3.45Å; A9-D11 PolarHBondContact O-N 3.44Å; D11-E15 PolarHBondContact N-OE2 2.89Å
12S86.1Confident75.5Confident44 Ų4495.6 Ų95.631%0.30854%0.541SS..  trans-145.8140.3178.8-176.90000112.7L10 N14 E15L10-S12 PolarHBondContact O-N 3.38Å; S12-N14 PolarHBondContact O-N 3.05Å; S12-N14 VanDerWaalsContact O-N 3.08Å; S12-N14 PolarHBondContact OG-N 2.98Å; S12-E15 WeakPolarHBondContact O-CB 3.37Å; S12-E15 PolarHBondContact O-N 3.04Å
13I91.6Very high77.9Confident80 Ų8091.8 Ų91.841%0.4152%0.518SS..G310 helixtrans-55.2-27.5171.4-166.4171.7000112.1E15 L16 L21 L24 W44I13-E15 PolarHBondContact O-N 3.39Å; I13-L16 HydrophobicContact CG1-CD1 3.85Å; I13-L16 WeakPolarHBondContact O-CB 3.27Å; I13-L16 WeakPolarHBondContact O-CG 3.44Å; I13-L16 PolarHBondContact O-N 3.46Å; I13-L21 HydrophobicContact CG1-CD2 4.13Å; I13-L21 WeakPolarHBondContact O-CD2 3.39Å; I13-L24 HydrophobicContact CD1-CD1 4.2Å; I13-L24 HydrophobicContact CG1-CD1 4.49Å; I13-W44 HydrophobicContact CD1-CZ2 4.4Å; I13-W44 HydrophobicContact CG2-CZ2 3.99Å
14N92.3Very high80.2Confident63 Ų6391.3 Ų91.334%0.33750%0.503SS..G310 helixtrans-72.4-10.3-179.3-63.3-24.3000113.7S12 L16 L43 W44S12-N14 PolarHBondContact O-N 3.05Å; S12-N14 VanDerWaalsContact O-N 3.08Å; S12-N14 PolarHBondContact OG-N 2.98Å; N14-L16 VanDerWaalsContact C-N 3.3Å; N14-L43 HydrophobicContact CB-CD2 4.08Å; N14-W44 PolarHBondContact OD1-NE1 3.18Å
15E92.9Very high82.2Confident115 Ų11585.8 Ų85.854%0.53747%0.467SS..G310 helixtrans-84.7-8.4174.3-65.2175.2179.300112.3L10 D11 S12 I13L10-E15 HydrophobicContact CD1-CB 3.6Å; L10-E15 HydrophobicContact CG-CB 4.28Å; D11-E15 PolarHBondContact N-OE2 2.89Å; S12-E15 WeakPolarHBondContact O-CB 3.37Å; S12-E15 PolarHBondContact O-N 3.04Å; I13-E15 PolarHBondContact O-N 3.39Å
16L93.3Very high84.4Confident44 Ų4477.3 Ų77.323%0.2343%0.428CS..SBendtrans-65.1146.1172.9-66.4175000110.6L10 I13 N14 I20 L21 L24L10-L16 HydrophobicContact CD1-CD2 4.3Å; L10-L16 HydrophobicContact CD2-CD2 3.45Å; L10-L16 VanDerWaalsContact CD2-CD2 3.45Å; L10-L16 HydrophobicContact CD2-CG 3.84Å; I13-L16 HydrophobicContact CG1-CD1 3.85Å; I13-L16 WeakPolarHBondContact O-CB 3.27Å; I13-L16 WeakPolarHBondContact O-CG 3.44Å; I13-L16 PolarHBondContact O-N 3.46Å; N14-L16 VanDerWaalsContact C-N 3.3Å; L16-I20 HydrophobicContact CB-CB 4.37Å; L16-I20 HydrophobicContact CB-CG2 4.39Å; L16-I20 HydrophobicContact CD1-CG2 4.04Å; L16-L21 HydrophobicContact CB-CD2 4.21Å; L16-L21 HydrophobicContact CB-CG 4.18Å; L16-L21 HydrophobicContact CD1-CD2 4.39Å; L16-L24 HydrophobicContact CD1-CD1 3.93Å
17P95.3Very high86.4Confident84 Ų8477.1 Ų77.155%0.54542%0.416SS..  trans-55.2143.2172.1-23.332.7000111.5N19 I20 L21P17-N19 PolarHBondContact O-N 3.16Å; P17-I20 HydrophobicContact CB-CG1 4.26Å; P17-I20 HydrophobicContact CG-CG1 4.28Å; P17-I20 WeakPolarHBondContact O-CA 3.36Å; P17-I20 WeakPolarHBondContact O-CB 3.47Å; P17-I20 PolarHBondContact O-N 2.97Å; P17-L21 PolarHBondContact O-N 3.39Å; P17-L21 VanDerWaalsContact O-N 3.15Å
18E95.2Very high88.4Confident115 Ų11568.9 Ų68.954%0.53738%0.383SS..Hα-helixtrans-52.5-36-178.7-68.9-175.7-174.900113.1I20 L21 L22 L47E18-I20 VanDerWaalsContact C-N 3.29Å; E18-I20 PolarHBondContact O-N 3.45Å; E18-L21 PolarHBondContact O-N 2.76Å; E18-L22 WeakPolarHBondContact O-CB 3.41Å; E18-L22 VanDerWaalsContact O-CG 3.31Å; E18-L22 WeakPolarHBondContact O-CG 3.42Å; E18-L22 PolarHBondContact O-N 3.19Å; E18-L47 HydrophobicContact CB-CD2 3.99Å; E18-L47 HydrophobicContact CG-CD2 4.04Å
19N94.9Very high90.2Very high90 Ų9067.9 Ų67.948%0.48137%0.368SS..Hα-helixtrans-60-38.5176.5-174.625.2000112.7P17 E23 R56P17-N19 PolarHBondContact O-N 3.16Å; N19-E23 PolarHBondContact O-N 3.27Å; N19-R56 PolarHBondContact O-NH1 3.21Å; N19-R56 VanDerWaalsContact OD1-CZ 3.24Å; N19-R56 PolarHBondContact OD1-NH1 3.06Å; N19-R56 PolarHBondContact OD1-NH2 3.07Å
20I95.5Very high91.9Very high77 Ų7765.1 Ų65.140%0.39535%0.346SS..Hα-helixtrans-72.5-41.4177.6-56.5-58.4000109.9L16 P17 E18 L22 E23 L24L16-I20 HydrophobicContact CB-CB 4.37Å; L16-I20 HydrophobicContact CB-CG2 4.39Å; L16-I20 HydrophobicContact CD1-CG2 4.04Å; P17-I20 HydrophobicContact CB-CG1 4.26Å; P17-I20 HydrophobicContact CG-CG1 4.28Å; P17-I20 WeakPolarHBondContact O-CA 3.36Å; P17-I20 WeakPolarHBondContact O-CB 3.47Å; P17-I20 PolarHBondContact O-N 2.97Å; E18-I20 VanDerWaalsContact C-N 3.29Å; E18-I20 PolarHBondContact O-N 3.45Å; I20-L22 PolarHBondContact O-N 2.97Å; I20-E23 WeakPolarHBondContact O-CB 3.33Å; I20-E23 PolarHBondContact O-N 3.32Å; I20-L24 HydrophobicContact CG2-CD1 4.41Å; I20-L24 VanDerWaalsContact O-CG 3.32Å; I20-L24 WeakPolarHBondContact O-CG 3.42Å; I20-L24 PolarHBondContact O-N 3.47Å
21L95.9Very high93.4Very high1 Ų166.8 Ų66.81%0.00535%0.345CS..Hα-helixtrans-60.5-44.4174.4-69.2176.1000111.9I13 L16 P17 E18 E23 L24 F25 L43 L47I13-L21 HydrophobicContact CG1-CD2 4.13Å; I13-L21 WeakPolarHBondContact O-CD2 3.39Å; L16-L21 HydrophobicContact CB-CD2 4.21Å; L16-L21 HydrophobicContact CB-CG 4.18Å; L16-L21 HydrophobicContact CD1-CD2 4.39Å; P17-L21 PolarHBondContact O-N 3.39Å; P17-L21 VanDerWaalsContact O-N 3.15Å; E18-L21 PolarHBondContact O-N 2.76Å; L21-E23 VanDerWaalsContact C-N 3.32Å; L21-E23 PolarHBondContact O-N 3.08Å; L21-L24 HydrophobicContact CD2-CD1 4.46Å; L21-L24 PolarHBondContact O-N 3.25Å; L21-F25 HydrophobicContact CB-CE2 4.29Å; L21-F25 WeakPolarHBondContact O-CD2 3.24Å; L21-F25 VanDerWaalsContact O-CG 3.29Å; L21-F25 WeakPolarHBondContact O-CG 3.33Å; L21-F25 PolarHBondContact O-N 2.89Å; L21-L43 HydrophobicContact CD1-CD2 3.97Å; L21-L43 HydrophobicContact CD1-CG 4.49Å; L21-L47 HydrophobicContact CB-CD1 3.66Å; L21-L47 HydrophobicContact CD1-CD1 3.69Å; L21-L47 HydrophobicContact CG-CD1 4.34Å
22L96.3Very high94.6Very high10 Ų1064.6 Ų64.65%0.05233%0.33CS..Hα-helixtrans-58.1-45.6174-74.9170.9000111.2E18 I20 F25 T26 L47 L50 L53E18-L22 WeakPolarHBondContact O-CB 3.41Å; E18-L22 VanDerWaalsContact O-CG 3.31Å; E18-L22 WeakPolarHBondContact O-CG 3.42Å; E18-L22 PolarHBondContact O-N 3.19Å; I20-L22 PolarHBondContact O-N 2.97Å; L22-F25 PolarHBondContact O-N 3.5Å; L22-T26 VanDerWaalsContact O-CG2 3.31Å; L22-T26 WeakPolarHBondContact O-CG2 3.12Å; L22-T26 PolarHBondContact O-N 2.88Å; L22-L47 HydrophobicContact CD2-CB 4.26Å; L22-L47 HydrophobicContact CD2-CD2 4.29Å; L22-L47 HydrophobicContact CG-CD2 4.24Å; L22-L50 HydrophobicContact CD2-CD1 4.49Å; L22-L53 HydrophobicContact CD2-CB 3.79Å; L22-L53 HydrophobicContact CD2-CD1 4.3Å; L22-L53 WeakPolarHBondContact O-CD1 3.36Å
23E96.3Very high95Very high87 Ų8762.5 Ų62.541%0.40732%0.316SS..Hα-helixtrans-60.4-46.5177.1-169.459.7-160.300111.5N19 I20 L21 F25 T26 H27N19-E23 PolarHBondContact O-N 3.27Å; I20-E23 WeakPolarHBondContact O-CB 3.33Å; I20-E23 PolarHBondContact O-N 3.32Å; L21-E23 VanDerWaalsContact C-N 3.32Å; L21-E23 PolarHBondContact O-N 3.08Å; E23-F25 VanDerWaalsContact C-N 3.32Å; E23-F25 PolarHBondContact O-N 3.11Å; E23-T26 WeakPolarHBondContact O-CB 3.33Å; E23-T26 PolarHBondContact O-N 3.33Å; E23-T26 PolarHBondContact O-OG1 3.03Å; E23-H27 PolarHBondContact O-CD2 3.26Å; E23-H27 VanDerWaalsContact O-CD2 3.23Å; E23-H27 IonicContact OE1-NE2 2.69Å
24L96.3Very high95.1Very high75 Ų7561.2 Ų61.239%0.39331%0.309SS..Hα-helixtrans-57.7-44.4175.3-68.3173.1000111.8I13 L16 I20 L21 T26 H27I13-L24 HydrophobicContact CD1-CD1 4.2Å; I13-L24 HydrophobicContact CG1-CD1 4.49Å; L16-L24 HydrophobicContact CD1-CD1 3.93Å; I20-L24 HydrophobicContact CG2-CD1 4.41Å; I20-L24 VanDerWaalsContact O-CG 3.32Å; I20-L24 WeakPolarHBondContact O-CG 3.42Å; I20-L24 PolarHBondContact O-N 3.47Å; L21-L24 HydrophobicContact CD2-CD1 4.46Å; L21-L24 PolarHBondContact O-N 3.25Å; L24-T26 PolarHBondContact O-N 3.17Å; L24-H27 PolarHBondContact O-N 2.98Å; L24-H27 VanDerWaalsContact O-N 3.12Å
25F97.3Very high95.2Very high7 Ų763.9 Ų63.93%0.03132%0.323CS..Hα-helixtrans-64.5-24.8176.6-65-35.2000113.1L21 L22 E23 H27 V28 L33 W44 L47 I48 L53 K57L21-F25 HydrophobicContact CB-CE2 4.29Å; L21-F25 WeakPolarHBondContact O-CD2 3.24Å; L21-F25 VanDerWaalsContact O-CG 3.29Å; L21-F25 WeakPolarHBondContact O-CG 3.33Å; L21-F25 PolarHBondContact O-N 2.89Å; L22-F25 PolarHBondContact O-N 3.5Å; E23-F25 VanDerWaalsContact C-N 3.32Å; E23-F25 PolarHBondContact O-N 3.11Å; F25-H27 PolarHBondContact O-N 3.49Å; F25-V28 PolarHBondContact O-N 2.77Å; F25-L33 HydrophobicContact CB-CD2 3.8Å; F25-L33 HydrophobicContact CD1-CD2 3.76Å; F25-L33 HydrophobicContact CG-CD2 3.96Å; F25-L33 WeakPolarHBondContact O-CD1 3.31Å; F25-W44 AromaticContact CE1-CD2 3.81Å; F25-W44 HydrophobicContact CE1-CD2 3.81Å; F25-W44 AromaticContact CE1-CE3 3.62Å; F25-W44 HydrophobicContact CE1-CE3 3.62Å; F25-W44 HydrophobicContact CE1-CG 4.43Å; F25-W44 HydrophobicContact CE1-CH2 4.18Å; F25-W44 HydrophobicContact CE1-CZ2 4.36Å; F25-W44 AromaticContact CE1-CZ3 3.81Å; F25-W44 HydrophobicContact CE1-CZ3 3.81Å; F25-W44 HydrophobicContact CZ-CB 4.16Å; F25-W44 AromaticContact CZ-CD2 3.52Å; F25-W44 HydrophobicContact CZ-CD2 3.52Å; F25-W44 AromaticContact CZ-CE2 3.89Å; F25-W44 AromaticContact CZ-CE3 3.8Å; F25-W44 HydrophobicContact CZ-CE3 3.8Å; F25-W44 AromaticContact CZ-CG 3.69Å; F25-W44 HydrophobicContact CZ-CG 3.69Å; F25-W44 HydrophobicContact CZ-CZ2 4.47Å; F25-W44 HydrophobicContact CZ-CZ3 4.38Å; F25-L47 HydrophobicContact CD2-CB 4.32Å; F25-L47 HydrophobicContact CE2-CB 3.91Å; F25-L47 HydrophobicContact CE2-CD1 4.05Å; F25-I48 HydrophobicContact CD2-CG1 4.18Å; F25-I48 HydrophobicContact CE2-CG1 4.3Å; F25-I48 HydrophobicContact CG-CG1 4.46Å; F25-L53 HydrophobicContact CB-CD1 3.58Å; F25-L53 HydrophobicContact CB-CD2 3.98Å; F25-L53 HydrophobicContact CB-CG 4.45Å; F25-K57 PolarHBondContact O-NZ 3.36Å
26T96.8Very high95.3Very high2 Ų263 Ų631%0.01232%0.322CS..Hα-helixtrans-62.6-27174.674.60000112.6L22 E23 L24 L53 R56 K57 R60L22-T26 VanDerWaalsContact O-CG2 3.31Å; L22-T26 WeakPolarHBondContact O-CG2 3.12Å; L22-T26 PolarHBondContact O-N 2.88Å; E23-T26 WeakPolarHBondContact O-CB 3.33Å; E23-T26 PolarHBondContact O-N 3.33Å; E23-T26 PolarHBondContact O-OG1 3.03Å; L24-T26 PolarHBondContact O-N 3.17Å; T26-L53 HydrophobicContact CG2-CD1 4.07Å; T26-R56 HydrophobicContact CG2-CB 3.87Å; T26-K57 HydrophobicContact CG2-CG 4.24Å; T26-K57 PolarHBondContact O-NZ 2.83Å; T26-R60 PolarHBondContact O-NH1 3.13Å
27H96.1Very high95.5Very high115 Ų11561.5 Ų61.553%0.53232%0.315SS..Hα-helixtrans-85.7-15.9179.7-64.8-79.1000114E23 L24 F25E23-H27 PolarHBondContact O-CD2 3.26Å; E23-H27 VanDerWaalsContact O-CD2 3.23Å; E23-H27 IonicContact OE1-NE2 2.69Å; L24-H27 PolarHBondContact O-N 2.98Å; L24-H27 VanDerWaalsContact O-N 3.12Å; F25-H27 PolarHBondContact O-N 3.49Å
28V96.6Very high95.5Very high34 Ų3461.8 Ų61.821%0.20631%0.305CS..SBendtrans-81137.3178.7-177.60000110F25 A30 Q32 L33 K57F25-V28 PolarHBondContact O-N 2.77Å; V28-A30 PolarHBondContact O-N 2.85Å; V28-Q32 HydrophobicContact CG1-CB 4.04Å; V28-Q32 HydrophobicContact CG1-CG 4.13Å; V28-L33 HydrophobicContact CB-CD2 3.73Å; V28-L33 HydrophobicContact CB-CG 3.96Å; V28-L33 HydrophobicContact CG1-CD2 3.87Å; V28-L33 HydrophobicContact CG1-CG 3.95Å; V28-L33 HydrophobicContact CG2-CD2 4.34Å; V28-K57 PolarHBondContact O-NZ 2.79Å
29P95.7Very high95.6Very high78 Ų7862.6 Ų62.651%0.50631%0.313SS..  trans-53.5134.3173.9-27.235.3000112.1R31 Q32 L33P29-R31 VanDerWaalsContact C-N 3.28Å; P29-R31 PolarHBondContact O-N 3.46Å; P29-Q32 HydrophobicContact CB-CB 4.3Å; P29-Q32 WeakPolarHBondContact O-CA 3.28Å; P29-Q32 WeakPolarHBondContact O-CB 3.41Å; P29-Q32 PolarHBondContact O-N 3.31Å; P29-L33 PolarHBondContact O-N 3.15Å
30A95Very high95.7Very high8 Ų862.5 Ų62.57%0.06632%0.315CS..Hα-helixtrans-58.8-36.1-172.300000114.3V28 Q32 L33 L34 W54 Y79 F80V28-A30 PolarHBondContact O-N 2.85Å; A30-Q32 VanDerWaalsContact C-N 3.34Å; A30-L33 WeakPolarHBondContact O-CB 3.35Å; A30-L33 PolarHBondContact O-N 2.77Å; A30-L34 PolarHBondContact O-N 2.88Å; A30-W54 HydrophobicContact CB-CH2 4.03Å; A30-W54 HydrophobicContact CB-CZ3 3.72Å; A30-Y79 HydrophobicContact CB-CD1 4Å; A30-Y79 HydrophobicContact CB-CE1 3.3Å; A30-F80 HydrophobicContact CB-CE1 3.81Å; A30-F80 HydrophobicContact CB-CE2 4.22Å; A30-F80 HydrophobicContact CB-CZ 3.51Å
31R91.8Very high95.7Very high133 Ų13360.5 Ų60.550%0.50231%0.308SS..Hα-helixtrans-63.3-40.7174.2-71.5-172.4173.8-121.9-1.3111.9P29 L34 L35 F80 G152P29-R31 VanDerWaalsContact C-N 3.28Å; P29-R31 PolarHBondContact O-N 3.46Å; R31-L34 PolarHBondContact O-N 3.31Å; R31-L35 WeakPolarHBondContact O-CB 3.33Å; R31-L35 WeakPolarHBondContact O-CG 3.44Å; R31-L35 PolarHBondContact O-N 3.09Å; R31-F80 HydrophobicContact CG-CE1 3.97Å; R31-F80 HydrophobicContact CG-CZ 4.47Å; R31-G152 PolarHBondContact NH2-O 2.83Å
32Q94.8Very high95.8Very high95 Ų9564 Ų6444%0.44433%0.332SS..Hα-helixtrans-69.3-34.8178.6-171.7175.45.300111.8V28 P29 A30 L34 N36 C37V28-Q32 HydrophobicContact CG1-CB 4.04Å; V28-Q32 HydrophobicContact CG1-CG 4.13Å; P29-Q32 HydrophobicContact CB-CB 4.3Å; P29-Q32 WeakPolarHBondContact O-CA 3.28Å; P29-Q32 WeakPolarHBondContact O-CB 3.41Å; P29-Q32 PolarHBondContact O-N 3.31Å; A30-Q32 VanDerWaalsContact C-N 3.34Å; Q32-L34 VanDerWaalsContact C-N 3.33Å; Q32-L34 PolarHBondContact O-N 2.72Å; Q32-N36 HydrophobicContact CG-CB 4.23Å; Q32-N36 WeakPolarHBondContact O-CB 3.36Å; Q32-N36 PolarHBondContact O-N 3.28Å; Q32-C37 PolarHBondContact O-N 3.28Å; Q32-C37 VanDerWaalsContact O-N 3.07Å
33L96.3Very high95.8Very high0 Ų066 Ų660%034%0.342CS..Hα-helixtrans-55.9-50171.6-73.6175.2000111F25 V28 P29 A30 C37 R38 I48 L53 K57F25-L33 HydrophobicContact CB-CD2 3.8Å; F25-L33 HydrophobicContact CD1-CD2 3.76Å; F25-L33 HydrophobicContact CG-CD2 3.96Å; F25-L33 WeakPolarHBondContact O-CD1 3.31Å; V28-L33 HydrophobicContact CB-CD2 3.73Å; V28-L33 HydrophobicContact CB-CG 3.96Å; V28-L33 HydrophobicContact CG1-CD2 3.87Å; V28-L33 HydrophobicContact CG1-CG 3.95Å; V28-L33 HydrophobicContact CG2-CD2 4.34Å; P29-L33 PolarHBondContact O-N 3.15Å; A30-L33 WeakPolarHBondContact O-CB 3.35Å; A30-L33 PolarHBondContact O-N 2.77Å; L33-C37 HydrophobicContact CD2-CB 4.13Å; L33-C37 PolarHBondContact O-N 3.16Å; L33-R38 VanDerWaalsContact O-CB 3.31Å; L33-R38 WeakPolarHBondContact O-CB 3.46Å; L33-R38 PolarHBondContact O-N 2.67Å; L33-I48 HydrophobicContact CB-CD1 4.47Å; L33-I48 HydrophobicContact CB-CG2 4.35Å; L33-I48 HydrophobicContact CD2-CD1 4.08Å; L33-I48 HydrophobicContact CD2-CG1 4.19Å; L33-L53 HydrophobicContact CD1-CD2 4.14Å; L33-K57 HydrophobicContact CD1-CD 4.13Å
34L93.5Very high95.9Very high53 Ų5363.7 Ų63.728%0.27733%0.33SS..Hα-helixtrans-74-40-175.3-66.8-176.4000113.9A30 R31 Q32 I48 W54 F80A30-L34 PolarHBondContact O-N 2.88Å; R31-L34 PolarHBondContact O-N 3.31Å; Q32-L34 VanDerWaalsContact C-N 3.33Å; Q32-L34 PolarHBondContact O-N 2.72Å; L34-I48 HydrophobicContact CD2-CG2 4.06Å; L34-W54 HydrophobicContact CD1-CH2 4.2Å; L34-W54 HydrophobicContact CD2-CH2 4.13Å; L34-W54 HydrophobicContact CD2-CZ2 3.74Å; L34-W54 HydrophobicContact CG-CH2 4Å; L34-W54 HydrophobicContact CG-CZ2 4.13Å; L34-F80 HydrophobicContact CD1-CE2 3.57Å; L34-F80 HydrophobicContact CD1-CZ 3.82Å
35L93.1Very high95.9Very high118 Ų11865.2 Ų65.262%0.61833%0.331SS*.Hα-helixtrans-86.9-28.3-173.5-64.3176.1000113.5R31 L39R31-L35 WeakPolarHBondContact O-CB 3.33Å; R31-L35 WeakPolarHBondContact O-CG 3.44Å; R31-L35 PolarHBondContact O-N 3.09Å; L35-L39 VanDerWaalsContact O-CD1 3.27Å; L35-L39 WeakPolarHBondContact O-CD1 3.49Å
36N96.4Very high95.9Very high96 Ų9669.5 Ų69.551%0.51335%0.354SS..THydrogen-bonded Turntrans-121.3-57.8-173-53.9102.5000111.9Q32 R38 L39Q32-N36 HydrophobicContact CG-CB 4.23Å; Q32-N36 WeakPolarHBondContact O-CB 3.36Å; Q32-N36 PolarHBondContact O-N 3.28Å; N36-R38 VanDerWaalsContact C-N 3.32Å; N36-R38 PolarHBondContact O-N 3.03Å; N36-L39 PolarHBondContact O-N 3.16Å; N36-L39 VanDerWaalsContact O-N 3.1Å
37C96.5Very high95.9Very high13 Ų1369.6 Ų69.69%0.08835%0.354CS..G310 helixtrans-64.6-37.6-172.5-570000112Q32 L33 L39 V40 W44 I48Q32-C37 PolarHBondContact O-N 3.28Å; Q32-C37 VanDerWaalsContact O-N 3.07Å; L33-C37 HydrophobicContact CD2-CB 4.13Å; L33-C37 PolarHBondContact O-N 3.16Å; C37-L39 PolarHBondContact O-N 2.93Å; C37-L39 VanDerWaalsContact O-N 3.15Å; C37-V40 WeakPolarHBondContact O-CB 3.18Å; C37-V40 WeakPolarHBondContact O-CG2 3.32Å; C37-V40 PolarHBondContact O-N 3.34Å; C37-V40 VanDerWaalsContact O-N 3.11Å; C37-W44 HydrophobicContact CB-CE3 3.75Å; C37-W44 HydrophobicContact CB-CZ3 3.97Å; C37-I48 HydrophobicContact CB-CD1 3.49Å; C37-I48 VanDerWaalsContact CB-CD1 3.49Å
38R96.4Very high96Very high90 Ų9064.1 Ų64.134%0.3433%0.329SS..G310 helixtrans-64.1-16.5177.9-160.7172.6174-113.8-5113.8L33 N36 R45 I48 D49L33-R38 VanDerWaalsContact O-CB 3.31Å; L33-R38 WeakPolarHBondContact O-CB 3.46Å; L33-R38 PolarHBondContact O-N 2.67Å; N36-R38 VanDerWaalsContact C-N 3.32Å; N36-R38 PolarHBondContact O-N 3.03Å; R38-R45 HydrophobicContact CG-CB 4.16Å; R38-R45 HydrophobicContact CG-CG 3.8Å; R38-I48 HydrophobicContact CB-CD1 4.16Å; R38-I48 HydrophobicContact CB-CG2 4.35Å; R38-I48 HydrophobicContact CG-CG2 4.26Å; R38-D49 IonicContact CZ-OD1 3.36Å; R38-D49 IonicContact CZ-OD2 3.36Å; R38-D49 VanDerWaalsContact NE-CG 3.33Å; R38-D49 IonicContact NE-OD1 2.77Å; R38-D49 PolarHBondContact NE-OD1 3.5Å; R38-D49 IonicContact NE-OD2 3.15Å; R38-D49 PolarHBondContact NE-OD2 3.4Å; R38-D49 VanDerWaalsContact NE-OD2 3.15Å; R38-D49 IonicContact NH2-OD1 3.28Å; R38-D49 PolarHBondContact NH2-OD1 3.46Å; R38-D49 IonicContact NH2-OD2 2.72Å; R38-D49 PolarHBondContact NH2-OD2 2.78Å
39L96.9Very high96Very high133 Ų13364.9 Ų64.970%0.69633%0.332SS*.G310 helixtrans-95.5-8.2177.8-58.7-179.1000113.5L35 N36 C37L35-L39 VanDerWaalsContact O-CD1 3.27Å; L35-L39 WeakPolarHBondContact O-CD1 3.49Å; N36-L39 PolarHBondContact O-N 3.16Å; N36-L39 VanDerWaalsContact O-N 3.1Å; C37-L39 PolarHBondContact O-N 2.93Å; C37-L39 VanDerWaalsContact O-N 3.15Å
40V96.8Very high96Very high87 Ų8764.5 Ų64.553%0.52733%0.325SS..THydrogen-bonded Turntrans-66.8-52.5-174.5173.30000111.9C37 W44C37-V40 WeakPolarHBondContact O-CB 3.18Å; C37-V40 WeakPolarHBondContact O-CG2 3.32Å; C37-V40 PolarHBondContact O-N 3.34Å; C37-V40 VanDerWaalsContact O-N 3.11Å; V40-W44 HydrophobicContact CB-CD2 4.07Å; V40-W44 HydrophobicContact CB-CE3 3.84Å; V40-W44 HydrophobicContact CB-CG 4.42Å; V40-W44 HydrophobicContact CB-CZ3 4.41Å; V40-W44 HydrophobicContact CG1-CD2 4.08Å; V40-W44 HydrophobicContact CG1-CE3 4.15Å; V40-W44 HydrophobicContact CG1-CZ3 4.49Å; V40-W44 HydrophobicContact CG2-CE3 3.82Å; V40-W44 HydrophobicContact CG2-CZ3 3.99Å
41C96.2Very high96Very high36 Ų3670.1 Ų70.124%0.24335%0.351CS..  trans-159.5172.6176.168.40000110.9W44 R45C41-W44 PolarHBondContact O-N 3.18Å; C41-R45 PolarHBondContact O-N 3.14Å; C41-R45 VanDerWaalsContact O-N 3.13Å
42S96.9Very high96.1Very high74 Ų7466.4 Ų66.452%0.51734%0.344SS..Hα-helixtrans-61.4-43.6178.249.40000112.6W44 R45 D46S42-W44 VanDerWaalsContact C-N 3.33Å; S42-W44 PolarHBondContact O-N 3.41Å; S42-R45 WeakPolarHBondContact O-CB 3.49Å; S42-R45 PolarHBondContact O-N 3.19Å; S42-R45 VanDerWaalsContact O-N 3.11Å; S42-D46 PolarHBondContact O-N 3.44Å
43L96.5Very high96.2Very high51 Ų5161.9 Ų61.927%0.26732%0.323SS..Hα-helixtrans-55-47.5178.1176.564.3000112N14 L21 R45 D46 L47N14-L43 HydrophobicContact CB-CD2 4.08Å; L21-L43 HydrophobicContact CD1-CD2 3.97Å; L21-L43 HydrophobicContact CD1-CG 4.49Å; L43-R45 VanDerWaalsContact C-N 3.34Å; L43-R45 PolarHBondContact O-N 3.01Å; L43-D46 PolarHBondContact O-N 2.96Å; L43-L47 HydrophobicContact CD1-CD1 4.1Å; L43-L47 HydrophobicContact CD1-CG 4.29Å; L43-L47 HydrophobicContact CG-CD1 4.22Å; L43-L47 WeakPolarHBondContact O-CB 3.49Å; L43-L47 WeakPolarHBondContact O-CG 3.4Å; L43-L47 PolarHBondContact O-N 2.9Å
44W97.7Very high96.3Very high39 Ų3961.9 Ų61.915%0.14832%0.323CS..Hα-helixtrans-66.1-40.3179.5-75.135.4000111.3I13 N14 F25 C37 V40 C41 S42 I48I13-W44 HydrophobicContact CD1-CZ2 4.4Å; I13-W44 HydrophobicContact CG2-CZ2 3.99Å; N14-W44 PolarHBondContact OD1-NE1 3.18Å; F25-W44 AromaticContact CE1-CD2 3.81Å; F25-W44 HydrophobicContact CE1-CD2 3.81Å; F25-W44 AromaticContact CE1-CE3 3.62Å; F25-W44 HydrophobicContact CE1-CE3 3.62Å; F25-W44 HydrophobicContact CE1-CG 4.43Å; F25-W44 HydrophobicContact CE1-CH2 4.18Å; F25-W44 HydrophobicContact CE1-CZ2 4.36Å; F25-W44 AromaticContact CE1-CZ3 3.81Å; F25-W44 HydrophobicContact CE1-CZ3 3.81Å; F25-W44 HydrophobicContact CZ-CB 4.16Å; F25-W44 AromaticContact CZ-CD2 3.52Å; F25-W44 HydrophobicContact CZ-CD2 3.52Å; F25-W44 AromaticContact CZ-CE2 3.89Å; F25-W44 AromaticContact CZ-CE3 3.8Å; F25-W44 HydrophobicContact CZ-CE3 3.8Å; F25-W44 AromaticContact CZ-CG 3.69Å; F25-W44 HydrophobicContact CZ-CG 3.69Å; F25-W44 HydrophobicContact CZ-CZ2 4.47Å; F25-W44 HydrophobicContact CZ-CZ3 4.38Å; C37-W44 HydrophobicContact CB-CE3 3.75Å; C37-W44 HydrophobicContact CB-CZ3 3.97Å; V40-W44 HydrophobicContact CB-CD2 4.07Å; V40-W44 HydrophobicContact CB-CE3 3.84Å; V40-W44 HydrophobicContact CB-CG 4.42Å; V40-W44 HydrophobicContact CB-CZ3 4.41Å; V40-W44 HydrophobicContact CG1-CD2 4.08Å; V40-W44 HydrophobicContact CG1-CE3 4.15Å; V40-W44 HydrophobicContact CG1-CZ3 4.49Å; V40-W44 HydrophobicContact CG2-CE3 3.82Å; V40-W44 HydrophobicContact CG2-CZ3 3.99Å; C41-W44 PolarHBondContact O-N 3.18Å; S42-W44 VanDerWaalsContact C-N 3.33Å; S42-W44 PolarHBondContact O-N 3.41Å; W44-I48 HydrophobicContact CB-CD1 4.49Å; W44-I48 VanDerWaalsContact O-CB 3.24Å; W44-I48 WeakPolarHBondContact O-CB 3.41Å; W44-I48 WeakPolarHBondContact O-CD1 3.35Å; W44-I48 WeakPolarHBondContact O-CG1 3.41Å; W44-I48 PolarHBondContact O-N 2.91Å
45R97.5Very high96.3Very high108 Ų10863.2 Ų63.241%0.40833%0.326SS..Hα-helixtrans-58.4-49.9175.6-176.8-169.7-53.1144.43.5111.5R38 C41 S42 L43 I48 D49R38-R45 HydrophobicContact CG-CB 4.16Å; R38-R45 HydrophobicContact CG-CG 3.8Å; C41-R45 PolarHBondContact O-N 3.14Å; C41-R45 VanDerWaalsContact O-N 3.13Å; S42-R45 WeakPolarHBondContact O-CB 3.49Å; S42-R45 PolarHBondContact O-N 3.19Å; S42-R45 VanDerWaalsContact O-N 3.11Å; L43-R45 VanDerWaalsContact C-N 3.34Å; L43-R45 PolarHBondContact O-N 3.01Å; R45-I48 PolarHBondContact O-N 3.38Å; R45-D49 WeakPolarHBondContact O-CB 3.4Å; R45-D49 VanDerWaalsContact O-CG 3.27Å; R45-D49 PolarHBondContact O-N 2.94Å
46D97.3Very high96.5Very high97 Ų9761.3 Ų61.352%0.51931%0.311SS..Hα-helixtrans-64.1-44.7-176.1-61.4-22.3000110.2S42 L43 I48 D49 L50S42-D46 PolarHBondContact O-N 3.44Å; L43-D46 PolarHBondContact O-N 2.96Å; D46-I48 PolarHBondContact O-N 2.98Å; D46-D49 PolarHBondContact O-N 3.4Å; D46-D49 VanDerWaalsContact O-N 3.16Å; D46-L50 WeakPolarHBondContact O-CG 3.39Å; D46-L50 PolarHBondContact O-N 3.41Å; D46-L50 VanDerWaalsContact O-N 3.16Å
47L96.9Very high96.5Very high3 Ų356.8 Ų56.82%0.01629%0.287CS..Hα-helixtrans-64.8-39.1175.5-68.9179000113.4E18 L21 L22 F25 L43 D49 L50E18-L47 HydrophobicContact CB-CD2 3.99Å; E18-L47 HydrophobicContact CG-CD2 4.04Å; L21-L47 HydrophobicContact CB-CD1 3.66Å; L21-L47 HydrophobicContact CD1-CD1 3.69Å; L21-L47 HydrophobicContact CG-CD1 4.34Å; L22-L47 HydrophobicContact CD2-CB 4.26Å; L22-L47 HydrophobicContact CD2-CD2 4.29Å; L22-L47 HydrophobicContact CG-CD2 4.24Å; F25-L47 HydrophobicContact CD2-CB 4.32Å; F25-L47 HydrophobicContact CE2-CB 3.91Å; F25-L47 HydrophobicContact CE2-CD1 4.05Å; L43-L47 HydrophobicContact CD1-CD1 4.1Å; L43-L47 HydrophobicContact CD1-CG 4.29Å; L43-L47 HydrophobicContact CG-CD1 4.22Å; L43-L47 WeakPolarHBondContact O-CB 3.49Å; L43-L47 WeakPolarHBondContact O-CG 3.4Å; L43-L47 PolarHBondContact O-N 2.9Å; L47-D49 PolarHBondContact O-N 2.98Å; L47-L50 HydrophobicContact CD2-CD1 3.8Å; L47-L50 WeakPolarHBondContact O-CB 3.44Å; L47-L50 PolarHBondContact O-N 2.83Å
48I97.1Very high96.5Very high0 Ų056.2 Ų56.20%028%0.282CS..Hα-helixtrans-68.2-27.9175.6-70.6165.4000111F25 L33 L34 C37 R38 W44 R45 D46 L53 W54F25-I48 HydrophobicContact CD2-CG1 4.18Å; F25-I48 HydrophobicContact CE2-CG1 4.3Å; F25-I48 HydrophobicContact CG-CG1 4.46Å; L33-I48 HydrophobicContact CB-CD1 4.47Å; L33-I48 HydrophobicContact CB-CG2 4.35Å; L33-I48 HydrophobicContact CD2-CD1 4.08Å; L33-I48 HydrophobicContact CD2-CG1 4.19Å; L34-I48 HydrophobicContact CD2-CG2 4.06Å; C37-I48 HydrophobicContact CB-CD1 3.49Å; C37-I48 VanDerWaalsContact CB-CD1 3.49Å; R38-I48 HydrophobicContact CB-CD1 4.16Å; R38-I48 HydrophobicContact CB-CG2 4.35Å; R38-I48 HydrophobicContact CG-CG2 4.26Å; W44-I48 HydrophobicContact CB-CD1 4.49Å; W44-I48 VanDerWaalsContact O-CB 3.24Å; W44-I48 WeakPolarHBondContact O-CB 3.41Å; W44-I48 WeakPolarHBondContact O-CD1 3.35Å; W44-I48 WeakPolarHBondContact O-CG1 3.41Å; W44-I48 PolarHBondContact O-N 2.91Å; R45-I48 PolarHBondContact O-N 3.38Å; D46-I48 PolarHBondContact O-N 2.98Å; I48-L53 HydrophobicContact CB-CD2 4.35Å; I48-L53 HydrophobicContact CG1-CD2 4.17Å; I48-W54 HydrophobicContact CG2-CZ2 4.39Å; I48-W54 PolarHBondContact O-NE1 3.46Å
49D96.1Very high96.5Very high51 Ų5155 Ų5527%0.27328%0.282SS..Hα-helixtrans-82.8-14.7179.2-72.3-22000114.3R38 R45 D46 L47 K76R38-D49 IonicContact CZ-OD1 3.36Å; R38-D49 IonicContact CZ-OD2 3.36Å; R38-D49 VanDerWaalsContact NE-CG 3.33Å; R38-D49 IonicContact NE-OD1 2.77Å; R38-D49 PolarHBondContact NE-OD1 3.5Å; R38-D49 IonicContact NE-OD2 3.15Å; R38-D49 PolarHBondContact NE-OD2 3.4Å; R38-D49 VanDerWaalsContact NE-OD2 3.15Å; R38-D49 IonicContact NH2-OD1 3.28Å; R38-D49 PolarHBondContact NH2-OD1 3.46Å; R38-D49 IonicContact NH2-OD2 2.72Å; R38-D49 PolarHBondContact NH2-OD2 2.78Å; R45-D49 WeakPolarHBondContact O-CB 3.4Å; R45-D49 VanDerWaalsContact O-CG 3.27Å; R45-D49 PolarHBondContact O-N 2.94Å; D46-D49 PolarHBondContact O-N 3.4Å; D46-D49 VanDerWaalsContact O-N 3.16Å; L47-D49 PolarHBondContact O-N 2.98Å; D49-K76 VanDerWaalsContact CA-NZ 3.32Å; D49-K76 WeakPolarHBondContact O-CE 3.5Å; D49-K76 IonicContact OD1-NZ 3.6Å; D49-K76 PolarHBondContact OD1-NZ 3.24Å
50L96Very high96.4Very high70 Ų7054.7 Ų54.737%0.36627%0.272SS..SBendtrans-65.8134.8175.5-72.7174.1000112.8L22 D46 L47 T52 L53L22-L50 HydrophobicContact CD2-CD1 4.49Å; D46-L50 WeakPolarHBondContact O-CG 3.39Å; D46-L50 PolarHBondContact O-N 3.41Å; D46-L50 VanDerWaalsContact O-N 3.16Å; L47-L50 HydrophobicContact CD2-CD1 3.8Å; L47-L50 WeakPolarHBondContact O-CB 3.44Å; L47-L50 PolarHBondContact O-N 2.83Å; L50-T52 PolarHBondContact O-N 3.45Å; L50-T52 VanDerWaalsContact O-N 3.16Å; L50-L53 PolarHBondContact O-N 3.24Å
51M94.8Very high96.3Very high125 Ų12553.8 Ų53.862%0.61626%0.262SS*.Hα-helixtrans-56.6-31.5173.161.7164.8168.700113.5L53 W54 K55 W75M51-L53 VanDerWaalsContact C-N 3.3Å; M51-L53 PolarHBondContact O-N 3.36Å; M51-W54 PolarHBondContact O-N 3.06Å; M51-K55 WeakPolarHBondContact O-CB 3.34Å; M51-K55 PolarHBondContact O-N 3.13Å; M51-W75 HydrophobicContact CB-CB 4.46Å; M51-W75 HydrophobicContact CB-CG 4.23Å
52T94.6Very high96.2Very high56 Ų5655 Ų5534%0.34428%0.28SS..Hα-helixtrans-63.7-36.1-175.149.90000111.8L50 R56L50-T52 PolarHBondContact O-N 3.45Å; L50-T52 VanDerWaalsContact O-N 3.16Å; T52-R56 WeakPolarHBondContact O-CB 3.45Å; T52-R56 VanDerWaalsContact O-CG 3.24Å; T52-R56 WeakPolarHBondContact O-CG 3.49Å; T52-R56 PolarHBondContact O-N 3.15Å
53L97.3Very high96.1Very high0 Ų053.2 Ų53.20%026%0.263CS..Hα-helixtrans-59.2-52.3175.1177.358.5000111.1L22 F25 T26 L33 I48 L50 M51 R56 K57L22-L53 HydrophobicContact CD2-CB 3.79Å; L22-L53 HydrophobicContact CD2-CD1 4.3Å; L22-L53 WeakPolarHBondContact O-CD1 3.36Å; F25-L53 HydrophobicContact CB-CD1 3.58Å; F25-L53 HydrophobicContact CB-CD2 3.98Å; F25-L53 HydrophobicContact CB-CG 4.45Å; T26-L53 HydrophobicContact CG2-CD1 4.07Å; L33-L53 HydrophobicContact CD1-CD2 4.14Å; I48-L53 HydrophobicContact CB-CD2 4.35Å; I48-L53 HydrophobicContact CG1-CD2 4.17Å; L50-L53 PolarHBondContact O-N 3.24Å; M51-L53 VanDerWaalsContact C-N 3.3Å; M51-L53 PolarHBondContact O-N 3.36Å; L53-R56 WeakPolarHBondContact O-CB 3.48Å; L53-R56 PolarHBondContact O-N 2.84Å; L53-K57 HydrophobicContact CD1-CD 4.48Å; L53-K57 HydrophobicContact CG-CD 4.43Å; L53-K57 WeakPolarHBondContact O-CG 3.47Å; L53-K57 PolarHBondContact O-N 2.78Å
54W97.3Very high96Very high0 Ų051.2 Ų51.20%025%0.253CS..Hα-helixtrans-71-35.4-174.6-61.490.7000112.1A30 L34 I48 M51 K57 C58 W75 K76 Y79 F80A30-W54 HydrophobicContact CB-CH2 4.03Å; A30-W54 HydrophobicContact CB-CZ3 3.72Å; L34-W54 HydrophobicContact CD1-CH2 4.2Å; L34-W54 HydrophobicContact CD2-CH2 4.13Å; L34-W54 HydrophobicContact CD2-CZ2 3.74Å; L34-W54 HydrophobicContact CG-CH2 4Å; L34-W54 HydrophobicContact CG-CZ2 4.13Å; I48-W54 HydrophobicContact CG2-CZ2 4.39Å; I48-W54 PolarHBondContact O-NE1 3.46Å; M51-W54 PolarHBondContact O-N 3.06Å; W54-K57 HydrophobicContact CE3-CD 4.4Å; W54-K57 PolarHBondContact O-N 3.31Å; W54-C58 PolarHBondContact O-N 3.32Å; W54-C58 PolarHBondContact O-SG 3.17Å; W54-W75 HydrophobicContact CB-CB 3.74Å; W54-K76 HydrophobicContact CD2-CB 3.88Å; W54-K76 HydrophobicContact CD2-CD 4.43Å; W54-K76 HydrophobicContact CD2-CG 3.78Å; W54-K76 HydrophobicContact CE3-CB 4.21Å; W54-K76 HydrophobicContact CG-CB 4.24Å; W54-K76 HydrophobicContact CG-CG 3.79Å; W54-K76 HydrophobicContact CZ2-CB 4.28Å; W54-K76 HydrophobicContact CZ2-CD 3.96Å; W54-K76 HydrophobicContact CZ2-CG 4.17Å; W54-Y79 AromaticContact CE3-CD1 3.8Å; W54-Y79 HydrophobicContact CE3-CD1 3.8Å; W54-Y79 AromaticContact CE3-CG 3.81Å; W54-Y79 HydrophobicContact CE3-CG 3.81Å; W54-Y79 AromaticContact CZ3-CD1 3.66Å; W54-Y79 HydrophobicContact CZ3-CD1 3.66Å; W54-Y79 HydrophobicContact CZ3-CE1 4.22Å; W54-Y79 HydrophobicContact CZ3-CG 4.17Å; W54-F80 AromaticContact CH2-CE2 3.69Å; W54-F80 HydrophobicContact CH2-CE2 3.69Å; W54-F80 HydrophobicContact CH2-CZ 4.2Å; W54-F80 HydrophobicContact CZ3-CD2 4.25Å; W54-F80 AromaticContact CZ3-CE2 3.63Å; W54-F80 HydrophobicContact CZ3-CE2 3.63Å; W54-F80 HydrophobicContact CZ3-CZ 4.22Å
55K95.3Very high95.7Very high81 Ų8153.6 Ų53.635%0.35227%0.272SS..Hα-helixtrans-61.1-45.1170.2-172.4175.4-179.6177.50111.6M51 K57 C58 L59 I64 W75M51-K55 WeakPolarHBondContact O-CB 3.34Å; M51-K55 PolarHBondContact O-N 3.13Å; K55-K57 PolarHBondContact O-N 3.16Å; K55-C58 WeakPolarHBondContact O-CB 3.2Å; K55-C58 PolarHBondContact O-N 3.06Å; K55-L59 PolarHBondContact O-N 2.87Å; K55-I64 HydrophobicContact CG-CD1 3.9Å; K55-W75 HydrophobicContact CB-CD2 4.1Å; K55-W75 HydrophobicContact CB-CE3 4.04Å; K55-W75 HydrophobicContact CB-CH2 4.48Å; K55-W75 HydrophobicContact CB-CZ3 4.26Å; K55-W75 HydrophobicContact CD-CH2 4.15Å; K55-W75 HydrophobicContact CD-CZ2 3.96Å; K55-W75 HydrophobicContact CG-CE3 4.33Å; K55-W75 HydrophobicContact CG-CH2 3.92Å; K55-W75 HydrophobicContact CG-CZ2 4.14Å; K55-W75 HydrophobicContact CG-CZ3 4.04Å
56R95.8Very high95.2Very high77 Ų7757 Ų5729%0.29129%0.292SS..Hα-helixtrans-61.7-42.6175.2-73.6175.5-173.9-162.32.2112.2N19 T26 T52 L53 C58 L59 R60N19-R56 PolarHBondContact O-NH1 3.21Å; N19-R56 VanDerWaalsContact OD1-CZ 3.24Å; N19-R56 PolarHBondContact OD1-NH1 3.06Å; N19-R56 PolarHBondContact OD1-NH2 3.07Å; T26-R56 HydrophobicContact CG2-CB 3.87Å; T52-R56 WeakPolarHBondContact O-CB 3.45Å; T52-R56 VanDerWaalsContact O-CG 3.24Å; T52-R56 WeakPolarHBondContact O-CG 3.49Å; T52-R56 PolarHBondContact O-N 3.15Å; L53-R56 WeakPolarHBondContact O-CB 3.48Å; L53-R56 PolarHBondContact O-N 2.84Å; R56-C58 VanDerWaalsContact C-N 3.34Å; R56-C58 PolarHBondContact O-N 3.15Å; R56-L59 PolarHBondContact O-N 2.82Å; R56-R60 WeakPolarHBondContact O-CB 3.44Å; R56-R60 PolarHBondContact O-N 3.39Å
57K97.1Very high94.8Very high2 Ų259.2 Ų59.21%0.00930%0.304CS..Hα-helixtrans-60.7-42.9174.2-68.9-178.879.273.70111.8F25 T26 V28 L33 L53 W54 K55 R60 E61 Y79F25-K57 PolarHBondContact O-NZ 3.36Å; T26-K57 HydrophobicContact CG2-CG 4.24Å; T26-K57 PolarHBondContact O-NZ 2.83Å; V28-K57 PolarHBondContact O-NZ 2.79Å; L33-K57 HydrophobicContact CD1-CD 4.13Å; L53-K57 HydrophobicContact CD1-CD 4.48Å; L53-K57 HydrophobicContact CG-CD 4.43Å; L53-K57 WeakPolarHBondContact O-CG 3.47Å; L53-K57 PolarHBondContact O-N 2.78Å; W54-K57 HydrophobicContact CE3-CD 4.4Å; W54-K57 PolarHBondContact O-N 3.31Å; K55-K57 PolarHBondContact O-N 3.16Å; K57-R60 PolarHBondContact O-N 3.38Å; K57-E61 WeakPolarHBondContact O-CB 3.31Å; K57-E61 PolarHBondContact O-N 3.44Å; K57-Y79 HydrophobicContact CB-CD2 3.78Å; K57-Y79 HydrophobicContact CB-CE2 3.56Å; K57-Y79 HydrophobicContact CD-CE2 4.5Å
58C96.4Very high94.4Very high0 Ų061.7 Ų61.70%031%0.313CS..Hα-helixtrans-61.6-42.4176.1-67.70000112.5W54 K55 R56 G62 F63 I64W54-C58 PolarHBondContact O-N 3.32Å; W54-C58 PolarHBondContact O-SG 3.17Å; K55-C58 WeakPolarHBondContact O-CB 3.2Å; K55-C58 PolarHBondContact O-N 3.06Å; R56-C58 VanDerWaalsContact C-N 3.34Å; R56-C58 PolarHBondContact O-N 3.15Å; C58-G62 PolarHBondContact O-N 2.99Å; C58-F63 HydrophobicContact CB-CB 4.16Å; C58-F63 HydrophobicContact CB-CD2 4.46Å; C58-F63 PolarHBondContact O-N 3.35Å; C58-I64 HydrophobicContact CB-CD1 3.92Å; C58-I64 HydrophobicContact CB-CG1 3.76Å; C58-I64 HydrophobicContact CB-CG2 4.3Å
59L95.4Very high93.7Very high65 Ų6568.5 Ų68.534%0.3435%0.349SS..Hα-helixtrans-62.4-49.4175.6-76.5163.5000111.3K55 R56 E61 G62 I64 T65 E66K55-L59 PolarHBondContact O-N 2.87Å; R56-L59 PolarHBondContact O-N 2.82Å; L59-E61 VanDerWaalsContact C-N 3.26Å; L59-E61 PolarHBondContact O-N 3.25Å; L59-G62 PolarHBondContact O-N 3.4Å; L59-I64 HydrophobicContact CD2-CD1 4.11Å; L59-I64 HydrophobicContact CD2-CG1 3.8Å; L59-I64 HydrophobicContact CG-CD1 3.88Å; L59-I64 HydrophobicContact CG-CG1 3.84Å; L59-T65 WeakPolarHBondContact CD2-O 3.29Å; L59-E66 HydrophobicContact CD2-CG 4.35Å
60R95.2Very high93.3Very high127 Ų12770.7 Ų70.748%0.47936%0.358SS..Hα-helixtrans-59.5-36.1-179.2178.3179.6153.9-83.7-4.4112.6T26 R56 K57 G62T26-R60 PolarHBondContact O-NH1 3.13Å; R56-R60 WeakPolarHBondContact O-CB 3.44Å; R56-R60 PolarHBondContact O-N 3.39Å; K57-R60 PolarHBondContact O-N 3.38Å; R60-G62 VanDerWaalsContact C-N 3.34Å
61E95.1Very high92.8Very high68 Ų6872 Ų7232%0.31837%0.371SS..THydrogen-bonded Turntrans-90.83.3-179.9-67.5175.7-153.400113K57 L59 F63 Y79K57-E61 WeakPolarHBondContact O-CB 3.31Å; K57-E61 PolarHBondContact O-N 3.44Å; L59-E61 VanDerWaalsContact C-N 3.26Å; L59-E61 PolarHBondContact O-N 3.25Å; E61-F63 VanDerWaalsContact C-N 3.25Å; E61-F63 HydrophobicContact CB-CD1 4.31Å; E61-F63 HydrophobicContact CB-CD2 4.1Å; E61-F63 HydrophobicContact CB-CE1 4.03Å; E61-F63 HydrophobicContact CB-CE2 3.81Å; E61-F63 HydrophobicContact CB-CG 4.33Å; E61-F63 HydrophobicContact CB-CZ 3.75Å; E61-F63 PolarHBondContact O-N 3.27Å; E61-F63 WeakPolarHBondContact OE2-CE2 3.44Å; E61-F63 WeakPolarHBondContact OE2-CZ 3.2Å; E61-Y79 WeakPolarHBondContact OE1-CE2 3.47Å; E61-Y79 PolarHBondContact OE1-OH 2.69Å; E61-Y79 VanDerWaalsContact OE2-CE2 3.26Å; E61-Y79 WeakPolarHBondContact OE2-CE2 3.07Å; E61-Y79 PolarHBondContact OE2-OH 2.9Å
62G95Very high92.6Very high60 Ų6067.4 Ų67.462%0.61935%0.35SS*.THydrogen-bonded Turntrans70.717.4177.800000114.2C58 L59 R60 I64C58-G62 PolarHBondContact O-N 2.99Å; L59-G62 PolarHBondContact O-N 3.4Å; R60-G62 VanDerWaalsContact C-N 3.34Å; G62-I64 VanDerWaalsContact C-N 3.29Å
63F94.1Very high92.3Very high37 Ų3770.2 Ų70.216%0.16238%0.379CS..SBendtrans-72-27.2177.5-60.6-25.2000112.7C58 E61 Y79 R82C58-F63 HydrophobicContact CB-CB 4.16Å; C58-F63 HydrophobicContact CB-CD2 4.46Å; C58-F63 PolarHBondContact O-N 3.35Å; E61-F63 VanDerWaalsContact C-N 3.25Å; E61-F63 HydrophobicContact CB-CD1 4.31Å; E61-F63 HydrophobicContact CB-CD2 4.1Å; E61-F63 HydrophobicContact CB-CE1 4.03Å; E61-F63 HydrophobicContact CB-CE2 3.81Å; E61-F63 HydrophobicContact CB-CG 4.33Å; E61-F63 HydrophobicContact CB-CZ 3.75Å; E61-F63 PolarHBondContact O-N 3.27Å; E61-F63 WeakPolarHBondContact OE2-CE2 3.44Å; E61-F63 WeakPolarHBondContact OE2-CZ 3.2Å; F63-Y79 HydrophobicContact CD2-CD2 4.04Å; F63-Y79 HydrophobicContact CD2-CE2 4.23Å; F63-Y79 AromaticContact CE2-CD2 3.9Å; F63-Y79 HydrophobicContact CE2-CD2 3.9Å; F63-Y79 AromaticContact CE2-CE2 3.71Å; F63-Y79 HydrophobicContact CE2-CE2 3.71Å; F63-R82 HydrophobicContact CB-CB 4Å; F63-R82 HydrophobicContact CB-CG 4.27Å; F63-R82 HydrophobicContact CD1-CB 4.14Å; F63-R82 HydrophobicContact CD2-CB 3.71Å; F63-R82 HydrophobicContact CE2-CB 4.21Å; F63-R82 HydrophobicContact CG-CB 3.69Å; F63-R82 HydrophobicContact CG-CG 4.49Å; F63-R82 PolarHBondContact O-NH2 3Å
64I93.5Very high92.1Very high9 Ų973 Ų735%0.04639%0.394CS..SBendtrans-137.2161.5175.967.2171.1000110K55 C58 L59 G62 W68 W75 F78K55-I64 HydrophobicContact CG-CD1 3.9Å; C58-I64 HydrophobicContact CB-CD1 3.92Å; C58-I64 HydrophobicContact CB-CG1 3.76Å; C58-I64 HydrophobicContact CB-CG2 4.3Å; L59-I64 HydrophobicContact CD2-CD1 4.11Å; L59-I64 HydrophobicContact CD2-CG1 3.8Å; L59-I64 HydrophobicContact CG-CD1 3.88Å; L59-I64 HydrophobicContact CG-CG1 3.84Å; G62-I64 VanDerWaalsContact C-N 3.29Å; I64-W68 HydrophobicContact CB-CB 4.09Å; I64-W68 HydrophobicContact CB-CD2 3.93Å; I64-W68 HydrophobicContact CB-CE3 3.74Å; I64-W68 HydrophobicContact CB-CG 4.09Å; I64-W68 HydrophobicContact CD1-CB 4.39Å; I64-W68 HydrophobicContact CG2-CD2 3.6Å; I64-W68 HydrophobicContact CG2-CE3 3.49Å; I64-W68 VanDerWaalsContact CG2-CE3 3.49Å; I64-W68 HydrophobicContact CG2-CG 4.11Å; I64-W68 HydrophobicContact CG2-CH2 4.37Å; I64-W68 HydrophobicContact CG2-CZ2 4.47Å; I64-W68 HydrophobicContact CG2-CZ3 3.9Å; I64-W75 HydrophobicContact CD1-CH2 3.78Å; I64-W75 HydrophobicContact CD1-CZ3 3.68Å; I64-W75 HydrophobicContact CG2-CZ3 4.44Å; I64-F78 HydrophobicContact CG2-CE1 3.58Å; I64-F78 HydrophobicContact CG2-CZ 3.81Å
65T92.5Very high91.9Very high90 Ų9074.3 Ų74.355%0.55240%0.399SS*.  trans-101.8171170.855.90000111L59 D67 W68L59-T65 WeakPolarHBondContact CD2-O 3.29Å; T65-D67 PolarHBondContact O-N 2.78Å; T65-W68 WeakPolarHBondContact O-CB 3.4Å; T65-W68 PolarHBondContact O-N 3.39Å
66E87.1Confident91.9Very high179 Ų17972.5 Ų72.584%0.83639%0.391SS*.THydrogen-bonded Turntrans-60.1-34.2174.7-64.9-170.5165.400112L59 W68L59-E66 HydrophobicContact CD2-CG 4.35Å; E66-W68 PolarHBondContact O-N 2.77Å
67D88.6Confident91.8Very high143 Ų14369.8 Ų69.877%0.76538%0.382SS*.THydrogen-bonded Turntrans-80.615.3178.9-55.6-48.7000114.1T65 D69T65-D67 PolarHBondContact O-N 2.78Å; D67-D69 PolarHBondContact O-N 2.74Å; D67-D69 VanDerWaalsContact O-N 3.07Å
68W87.6Confident91.7Very high56 Ų5670 Ų7021%0.21238%0.383CS..  trans-63.4112.8179.1-177-81000111.4I64 T65 E66 Q70 V72 W75 F78I64-W68 HydrophobicContact CB-CB 4.09Å; I64-W68 HydrophobicContact CB-CD2 3.93Å; I64-W68 HydrophobicContact CB-CE3 3.74Å; I64-W68 HydrophobicContact CB-CG 4.09Å; I64-W68 HydrophobicContact CD1-CB 4.39Å; I64-W68 HydrophobicContact CG2-CD2 3.6Å; I64-W68 HydrophobicContact CG2-CE3 3.49Å; I64-W68 VanDerWaalsContact CG2-CE3 3.49Å; I64-W68 HydrophobicContact CG2-CG 4.11Å; I64-W68 HydrophobicContact CG2-CH2 4.37Å; I64-W68 HydrophobicContact CG2-CZ2 4.47Å; I64-W68 HydrophobicContact CG2-CZ3 3.9Å; T65-W68 WeakPolarHBondContact O-CB 3.4Å; T65-W68 PolarHBondContact O-N 3.39Å; E66-W68 PolarHBondContact O-N 2.77Å; W68-Q70 HydrophobicContact CZ2-CB 3.88Å; W68-Q70 PolarHBondContact NE1-O 3.36Å; W68-V72 HydrophobicContact CZ2-CG2 4.4Å; W68-W75 AromaticContact CD1-CH2 3.9Å; W68-F78 HydrophobicContact CH2-CE2 4.07Å; W68-F78 AromaticContact CH2-CZ 3.76Å; W68-F78 HydrophobicContact CH2-CZ 3.76Å; W68-F78 AromaticContact CZ2-CE2 3.84Å; W68-F78 HydrophobicContact CZ2-CE2 3.84Å; W68-F78 AromaticContact CZ2-CZ 3.72Å; W68-F78 HydrophobicContact CZ2-CZ 3.72Å; W68-F78 HydrophobicContact CZ3-CZ 4.47Å
69D84.2Confident91.7Very high142 Ų14270.7 Ų70.776%0.75939%0.385SS*.  trans-108.4-8.9-172.665.7-14000113.9D67D67-D69 PolarHBondContact O-N 2.74Å; D67-D69 VanDerWaalsContact O-N 3.07Å
70Q86Confident91.7Very high98 Ų9868.2 Ų68.246%0.45837%0.372SS..SBendtrans-79.2135.7-177.2-61.9-17715.200112W68 V72W68-Q70 HydrophobicContact CZ2-CB 3.88Å; W68-Q70 PolarHBondContact NE1-O 3.36Å; Q70-V72 PolarHBondContact O-N 3.21Å
71P87.3Confident91.8Very high98 Ų9862.4 Ų62.464%0.63635%0.35SS*.  trans-66.6132.3177.527.6-33.6000110.6
72V90.1Very high91.8Very high28 Ų2862.9 Ų62.917%0.1735%0.349CS..  trans-115.3117.1176.2178.30000108.4W68 Q70 W75 F78W68-V72 HydrophobicContact CZ2-CG2 4.4Å; Q70-V72 PolarHBondContact O-N 3.21Å; V72-W75 HydrophobicContact CB-CD2 4.03Å; V72-W75 HydrophobicContact CB-CE3 4.46Å; V72-W75 HydrophobicContact CB-CG 4.44Å; V72-W75 HydrophobicContact CB-CH2 4.35Å; V72-W75 HydrophobicContact CB-CZ2 3.93Å; V72-W75 HydrophobicContact CG1-CD2 3.89Å; V72-W75 HydrophobicContact CG1-CE3 4.2Å; V72-W75 HydrophobicContact CG1-CG 4.04Å; V72-W75 HydrophobicContact CG2-CD2 4.43Å; V72-W75 HydrophobicContact CG2-CE3 4.42Å; V72-W75 HydrophobicContact CG2-CH2 3.79Å; V72-W75 HydrophobicContact CG2-CZ2 3.8Å; V72-W75 HydrophobicContact CG2-CZ3 4.09Å; V72-F78 HydrophobicContact CG1-CB 3.55Å; V72-F78 HydrophobicContact CG1-CD2 4.11Å; V72-F78 HydrophobicContact CG1-CG 3.87Å; V72-F78 HydrophobicContact CG2-CD2 4.17Å; V72-F78 HydrophobicContact CG2-CE2 4.38Å; V72-F78 HydrophobicContact CG2-CG 4.4Å
73A87.9Confident91.8Very high115 Ų11562.5 Ų62.595%0.9534%0.337SS*.SBendtrans-67.2-43.3-177.700000112.5
74D92.1Very high91.9Very high58 Ų5861.9 Ų61.931%0.3134%0.336SS..  trans-138.5110.2176.1-173-39.6000109.6K76 I77 F78 F161D74-K76 VanDerWaalsContact C-N 3.28Å; D74-K76 PolarHBondContact O-N 3.22Å; D74-K76 WeakPolarHBondContact OD1-CA 3.22Å; D74-K76 VanDerWaalsContact OD1-CB 3.26Å; D74-K76 WeakPolarHBondContact OD1-CB 3.47Å; D74-K76 WeakPolarHBondContact OD1-CG 3.26Å; D74-K76 PolarHBondContact OD1-N 3.12Å; D74-I77 HydrophobicContact CB-CB 4.07Å; D74-I77 HydrophobicContact CB-CG1 3.98Å; D74-I77 PolarHBondContact O-N 3.06Å; D74-I77 PolarHBondContact OD1-N 3.29Å; D74-I77 VanDerWaalsContact OD1-N 3.09Å; D74-F78 WeakPolarHBondContact O-CB 3.3Å; D74-F78 PolarHBondContact O-N 3.01Å; D74-F161 HydrophobicContact CB-CE1 4.46Å
75W94.3Very high92Very high28 Ų2865.8 Ų65.811%0.10635%0.353CS..Hα-helixtrans-67-26.8-178.9-79.196000113.5M51 W54 K55 I64 W68 V72 F78 Y79M51-W75 HydrophobicContact CB-CB 4.46Å; M51-W75 HydrophobicContact CB-CG 4.23Å; W54-W75 HydrophobicContact CB-CB 3.74Å; K55-W75 HydrophobicContact CB-CD2 4.1Å; K55-W75 HydrophobicContact CB-CE3 4.04Å; K55-W75 HydrophobicContact CB-CH2 4.48Å; K55-W75 HydrophobicContact CB-CZ3 4.26Å; K55-W75 HydrophobicContact CD-CH2 4.15Å; K55-W75 HydrophobicContact CD-CZ2 3.96Å; K55-W75 HydrophobicContact CG-CE3 4.33Å; K55-W75 HydrophobicContact CG-CH2 3.92Å; K55-W75 HydrophobicContact CG-CZ2 4.14Å; K55-W75 HydrophobicContact CG-CZ3 4.04Å; I64-W75 HydrophobicContact CD1-CH2 3.78Å; I64-W75 HydrophobicContact CD1-CZ3 3.68Å; I64-W75 HydrophobicContact CG2-CZ3 4.44Å; W68-W75 AromaticContact CD1-CH2 3.9Å; V72-W75 HydrophobicContact CB-CD2 4.03Å; V72-W75 HydrophobicContact CB-CE3 4.46Å; V72-W75 HydrophobicContact CB-CG 4.44Å; V72-W75 HydrophobicContact CB-CH2 4.35Å; V72-W75 HydrophobicContact CB-CZ2 3.93Å; V72-W75 HydrophobicContact CG1-CD2 3.89Å; V72-W75 HydrophobicContact CG1-CE3 4.2Å; V72-W75 HydrophobicContact CG1-CG 4.04Å; V72-W75 HydrophobicContact CG2-CD2 4.43Å; V72-W75 HydrophobicContact CG2-CE3 4.42Å; V72-W75 HydrophobicContact CG2-CH2 3.79Å; V72-W75 HydrophobicContact CG2-CZ2 3.8Å; V72-W75 HydrophobicContact CG2-CZ3 4.09Å; W75-F78 HydrophobicContact CE3-CD1 4.22Å; W75-F78 HydrophobicContact CZ3-CD1 4.19Å; W75-F78 HydrophobicContact CZ3-CE1 4.31Å; W75-Y79 WeakPolarHBondContact O-CB 3.44Å; W75-Y79 PolarHBondContact O-N 3.23Å
76K93.8Very high92.3Very high43 Ų4366.2 Ų66.219%0.18735%0.345CS..Hα-helixtrans-69-50.9176.5-41.9-164.5-178.6148.10109.1D49 W54 D74 F78 Y79 F80D49-K76 VanDerWaalsContact CA-NZ 3.32Å; D49-K76 WeakPolarHBondContact O-CE 3.5Å; D49-K76 IonicContact OD1-NZ 3.6Å; D49-K76 PolarHBondContact OD1-NZ 3.24Å; W54-K76 HydrophobicContact CD2-CB 3.88Å; W54-K76 HydrophobicContact CD2-CD 4.43Å; W54-K76 HydrophobicContact CD2-CG 3.78Å; W54-K76 HydrophobicContact CE3-CB 4.21Å; W54-K76 HydrophobicContact CG-CB 4.24Å; W54-K76 HydrophobicContact CG-CG 3.79Å; W54-K76 HydrophobicContact CZ2-CB 4.28Å; W54-K76 HydrophobicContact CZ2-CD 3.96Å; W54-K76 HydrophobicContact CZ2-CG 4.17Å; D74-K76 VanDerWaalsContact C-N 3.28Å; D74-K76 PolarHBondContact O-N 3.22Å; D74-K76 WeakPolarHBondContact OD1-CA 3.22Å; D74-K76 VanDerWaalsContact OD1-CB 3.26Å; D74-K76 WeakPolarHBondContact OD1-CB 3.47Å; D74-K76 WeakPolarHBondContact OD1-CG 3.26Å; D74-K76 PolarHBondContact OD1-N 3.12Å; K76-F78 VanDerWaalsContact C-N 3.34Å; K76-F78 PolarHBondContact O-N 3.35Å; K76-Y79 WeakPolarHBondContact O-CB 3.43Å; K76-Y79 PolarHBondContact O-N 3.37Å; K76-F80 VanDerWaalsContact O-CD2 3.22Å; K76-F80 WeakPolarHBondContact O-CD2 3.45Å; K76-F80 PolarHBondContact O-N 2.67Å
77I94.3Very high92.8Very high20 Ų2060.3 Ų60.310%0.10332%0.319CS..Hα-helixtrans-63-44179.4-60.8-64.2000110.6D74 Y79 F80 L81 W154 L157 F161D74-I77 HydrophobicContact CB-CB 4.07Å; D74-I77 HydrophobicContact CB-CG1 3.98Å; D74-I77 PolarHBondContact O-N 3.06Å; D74-I77 PolarHBondContact OD1-N 3.29Å; D74-I77 VanDerWaalsContact OD1-N 3.09Å; I77-Y79 VanDerWaalsContact C-N 3.35Å; I77-Y79 PolarHBondContact O-N 3.26Å; I77-F80 PolarHBondContact O-N 3.21Å; I77-L81 HydrophobicContact CG2-CD1 3.8Å; I77-L81 HydrophobicContact CG2-CG 4.23Å; I77-L81 WeakPolarHBondContact O-CB 3.5Å; I77-L81 VanDerWaalsContact O-CG 3.31Å; I77-L81 WeakPolarHBondContact O-CG 3.4Å; I77-L81 PolarHBondContact O-N 3.4Å; I77-W154 HydrophobicContact CD1-CH2 4.33Å; I77-W154 HydrophobicContact CD1-CZ2 3.94Å; I77-L157 HydrophobicContact CD1-CD1 4Å; I77-L157 HydrophobicContact CG2-CD1 3.64Å; I77-F161 HydrophobicContact CB-CD1 4.44Å; I77-F161 HydrophobicContact CB-CE1 4.5Å; I77-F161 HydrophobicContact CD1-CD1 4.36Å; I77-F161 HydrophobicContact CD1-CD2 3.89Å; I77-F161 HydrophobicContact CD1-CE1 4.11Å; I77-F161 HydrophobicContact CD1-CE2 3.57Å; I77-F161 HydrophobicContact CD1-CG 4.25Å; I77-F161 HydrophobicContact CD1-CZ 3.69Å; I77-F161 HydrophobicContact CG1-CD1 3.85Å; I77-F161 HydrophobicContact CG1-CD2 4.28Å; I77-F161 HydrophobicContact CG1-CE1 3.54Å; I77-F161 HydrophobicContact CG1-CE2 3.99Å; I77-F161 HydrophobicContact CG1-CG 4.21Å; I77-F161 HydrophobicContact CG1-CZ 3.59Å; I77-F161 HydrophobicContact CG2-CB 4.43Å; I77-F161 HydrophobicContact CG2-CD1 4.15Å; I77-F161 HydrophobicContact CG2-CG 4.2Å
78F95.4Very high93.3Very high6 Ų653.8 Ų53.83%0.02628%0.284CS..Hα-helixtrans-55.9-49.1174.3-179.7-89.1000111.7I64 W68 V72 D74 W75 K76 F80 L81 R82 H259I64-F78 HydrophobicContact CG2-CE1 3.58Å; I64-F78 HydrophobicContact CG2-CZ 3.81Å; W68-F78 HydrophobicContact CH2-CE2 4.07Å; W68-F78 AromaticContact CH2-CZ 3.76Å; W68-F78 HydrophobicContact CH2-CZ 3.76Å; W68-F78 AromaticContact CZ2-CE2 3.84Å; W68-F78 HydrophobicContact CZ2-CE2 3.84Å; W68-F78 AromaticContact CZ2-CZ 3.72Å; W68-F78 HydrophobicContact CZ2-CZ 3.72Å; W68-F78 HydrophobicContact CZ3-CZ 4.47Å; V72-F78 HydrophobicContact CG1-CB 3.55Å; V72-F78 HydrophobicContact CG1-CD2 4.11Å; V72-F78 HydrophobicContact CG1-CG 3.87Å; V72-F78 HydrophobicContact CG2-CD2 4.17Å; V72-F78 HydrophobicContact CG2-CE2 4.38Å; V72-F78 HydrophobicContact CG2-CG 4.4Å; D74-F78 WeakPolarHBondContact O-CB 3.3Å; D74-F78 PolarHBondContact O-N 3.01Å; W75-F78 HydrophobicContact CE3-CD1 4.22Å; W75-F78 HydrophobicContact CZ3-CD1 4.19Å; W75-F78 HydrophobicContact CZ3-CE1 4.31Å; K76-F78 VanDerWaalsContact C-N 3.34Å; K76-F78 PolarHBondContact O-N 3.35Å; F78-F80 PolarHBondContact O-N 3.48Å; F78-L81 PolarHBondContact O-N 2.76Å; F78-R82 HydrophobicContact CD1-CG 3.98Å; F78-R82 HydrophobicContact CE1-CG 3.6Å; F78-R82 HydrophobicContact CE2-CG 4.19Å; F78-R82 HydrophobicContact CG-CG 4.43Å; F78-R82 HydrophobicContact CZ-CG 3.72Å; F78-R82 VanDerWaalsContact O-CG 3.27Å; F78-R82 WeakPolarHBondContact O-CG 3.28Å; F78-R82 PolarHBondContact O-N 3.4Å; F78-H259 HydrophobicContact CD2-CB 3.98Å; F78-H259 AromaticContact CD2-CD2 3.88Å; F78-H259 AromaticContact CD2-CG 3.81Å; F78-H259 HydrophobicContact CE2-CB 4.44Å; F78-H259 AromaticContact CE2-CD2 3.72Å; F78-H259 AromaticContact CE2-CG 3.79Å; F78-H259 AromaticContact CE2-ND1 3.99Å; F78-H259 AromaticContact CE2-NE2 3.87Å
79Y96.4Very high93.9Very high14 Ų1451.4 Ų51.46%0.05528%0.276CS..Hα-helixtrans-55.8-49.7176.6173.1-87.7000111.5A30 W54 K57 E61 F63 W75 K76 I77 L81 R82 S83A30-Y79 HydrophobicContact CB-CD1 4Å; A30-Y79 HydrophobicContact CB-CE1 3.3Å; W54-Y79 AromaticContact CE3-CD1 3.8Å; W54-Y79 HydrophobicContact CE3-CD1 3.8Å; W54-Y79 AromaticContact CE3-CG 3.81Å; W54-Y79 HydrophobicContact CE3-CG 3.81Å; W54-Y79 AromaticContact CZ3-CD1 3.66Å; W54-Y79 HydrophobicContact CZ3-CD1 3.66Å; W54-Y79 HydrophobicContact CZ3-CE1 4.22Å; W54-Y79 HydrophobicContact CZ3-CG 4.17Å; K57-Y79 HydrophobicContact CB-CD2 3.78Å; K57-Y79 HydrophobicContact CB-CE2 3.56Å; K57-Y79 HydrophobicContact CD-CE2 4.5Å; E61-Y79 WeakPolarHBondContact OE1-CE2 3.47Å; E61-Y79 PolarHBondContact OE1-OH 2.69Å; E61-Y79 VanDerWaalsContact OE2-CE2 3.26Å; E61-Y79 WeakPolarHBondContact OE2-CE2 3.07Å; E61-Y79 PolarHBondContact OE2-OH 2.9Å; F63-Y79 HydrophobicContact CD2-CD2 4.04Å; F63-Y79 HydrophobicContact CD2-CE2 4.23Å; F63-Y79 AromaticContact CE2-CD2 3.9Å; F63-Y79 HydrophobicContact CE2-CD2 3.9Å; F63-Y79 AromaticContact CE2-CE2 3.71Å; F63-Y79 HydrophobicContact CE2-CE2 3.71Å; W75-Y79 WeakPolarHBondContact O-CB 3.44Å; W75-Y79 PolarHBondContact O-N 3.23Å; K76-Y79 WeakPolarHBondContact O-CB 3.43Å; K76-Y79 PolarHBondContact O-N 3.37Å; I77-Y79 VanDerWaalsContact C-N 3.35Å; I77-Y79 PolarHBondContact O-N 3.26Å; Y79-L81 PolarHBondContact O-N 2.93Å; Y79-R82 PolarHBondContact O-N 3.28Å; Y79-S83 WeakPolarHBondContact O-CB 3.48Å; Y79-S83 PolarHBondContact O-N 2.78Å; Y79-S83 PolarHBondContact O-OG 3.42Å
80F95.6Very high94.6Very high13 Ų1351.4 Ų51.46%0.05727%0.265CS..Hα-helixtrans-62.3-45-179.7-82.6-74000112.1A30 R31 L34 W54 K76 I77 F78 R82 S83 L84 W154A30-F80 HydrophobicContact CB-CE1 3.81Å; A30-F80 HydrophobicContact CB-CE2 4.22Å; A30-F80 HydrophobicContact CB-CZ 3.51Å; R31-F80 HydrophobicContact CG-CE1 3.97Å; R31-F80 HydrophobicContact CG-CZ 4.47Å; L34-F80 HydrophobicContact CD1-CE2 3.57Å; L34-F80 HydrophobicContact CD1-CZ 3.82Å; W54-F80 AromaticContact CH2-CE2 3.69Å; W54-F80 HydrophobicContact CH2-CE2 3.69Å; W54-F80 HydrophobicContact CH2-CZ 4.2Å; W54-F80 HydrophobicContact CZ3-CD2 4.25Å; W54-F80 AromaticContact CZ3-CE2 3.63Å; W54-F80 HydrophobicContact CZ3-CE2 3.63Å; W54-F80 HydrophobicContact CZ3-CZ 4.22Å; K76-F80 VanDerWaalsContact O-CD2 3.22Å; K76-F80 WeakPolarHBondContact O-CD2 3.45Å; K76-F80 PolarHBondContact O-N 2.67Å; I77-F80 PolarHBondContact O-N 3.21Å; F78-F80 PolarHBondContact O-N 3.48Å; F80-R82 VanDerWaalsContact C-N 3.32Å; F80-R82 PolarHBondContact O-N 2.85Å; F80-S83 WeakPolarHBondContact CA-OG 3.39Å; F80-S83 PolarHBondContact O-N 2.96Å; F80-S83 PolarHBondContact O-OG 2.93Å; F80-L84 WeakPolarHBondContact O-CB 3.32Å; F80-L84 WeakPolarHBondContact O-CG 3.48Å; F80-L84 PolarHBondContact O-N 3.24Å; F80-W154 HydrophobicContact CB-CH2 3.9Å; F80-W154 HydrophobicContact CB-CZ3 4.05Å; F80-W154 HydrophobicContact CD1-CH2 4.42Å; F80-W154 HydrophobicContact CD1-CZ3 4.18Å; F80-W154 HydrophobicContact CD2-CH2 4.03Å; F80-W154 AromaticContact CG-CH2 3.86Å; F80-W154 HydrophobicContact CG-CH2 3.86Å; F80-W154 HydrophobicContact CG-CZ3 4.03Å
81L96.3Very high95.2Very high6 Ų647.1 Ų47.13%0.03125%0.245CC..Hα-helixtrans-61.8-39.2177.9-69.6174.6000112.2I77 F78 Y79 H85 Y153 L157 P163 V257 H259I77-L81 HydrophobicContact CG2-CD1 3.8Å; I77-L81 HydrophobicContact CG2-CG 4.23Å; I77-L81 WeakPolarHBondContact O-CB 3.5Å; I77-L81 VanDerWaalsContact O-CG 3.31Å; I77-L81 WeakPolarHBondContact O-CG 3.4Å; I77-L81 PolarHBondContact O-N 3.4Å; F78-L81 PolarHBondContact O-N 2.76Å; Y79-L81 PolarHBondContact O-N 2.93Å; L81-H85 WeakPolarHBondContact O-CB 3.4Å; L81-H85 PolarHBondContact O-N 2.89Å; L81-H85 VanDerWaalsContact O-N 3.16Å; L81-Y153 HydrophobicContact CD2-CD1 4.39Å; L81-Y153 HydrophobicContact CD2-CE1 4.26Å; L81-L157 HydrophobicContact CD2-CD1 4.32Å; L81-L157 HydrophobicContact CD2-CD2 3.94Å; L81-P163 HydrophobicContact CD1-CB 3.78Å; L81-P163 HydrophobicContact CD2-CB 3.77Å; L81-P163 HydrophobicContact CD2-CG 3.97Å; L81-P163 HydrophobicContact CG-CB 4.46Å; L81-V257 HydrophobicContact CD2-CG1 3.97Å; L81-H259 HydrophobicContact CD1-CB 4.01Å
82R95.5Very high95.7Very high77 Ų7743.9 Ų43.929%0.29122%0.224SC..Hα-helixtrans-69.2-41.9174.8-65.3-65.4-72.3161.9-5.2111.8F63 F78 Y79 F80 L84 H85F63-R82 HydrophobicContact CB-CB 4Å; F63-R82 HydrophobicContact CB-CG 4.27Å; F63-R82 HydrophobicContact CD1-CB 4.14Å; F63-R82 HydrophobicContact CD2-CB 3.71Å; F63-R82 HydrophobicContact CE2-CB 4.21Å; F63-R82 HydrophobicContact CG-CB 3.69Å; F63-R82 HydrophobicContact CG-CG 4.49Å; F63-R82 PolarHBondContact O-NH2 3Å; F78-R82 HydrophobicContact CD1-CG 3.98Å; F78-R82 HydrophobicContact CE1-CG 3.6Å; F78-R82 HydrophobicContact CE2-CG 4.19Å; F78-R82 HydrophobicContact CG-CG 4.43Å; F78-R82 HydrophobicContact CZ-CG 3.72Å; F78-R82 VanDerWaalsContact O-CG 3.27Å; F78-R82 WeakPolarHBondContact O-CG 3.28Å; F78-R82 PolarHBondContact O-N 3.4Å; Y79-R82 PolarHBondContact O-N 3.28Å; F80-R82 VanDerWaalsContact C-N 3.32Å; F80-R82 PolarHBondContact O-N 2.85Å; R82-L84 VanDerWaalsContact C-N 3.27Å; R82-L84 PolarHBondContact O-N 3.05Å; R82-H85 VanDerWaalsContact O-CB 3.23Å; R82-H85 WeakPolarHBondContact O-CB 2.96Å; R82-H85 PolarHBondContact O-N 2.88Å
83S95.4Very high96.1Very high52 Ų5243.4 Ų43.436%0.36422%0.222SC..Hα-helixtrans-64.7-30.9177.975.10000113.2Y79 F80Y79-S83 WeakPolarHBondContact O-CB 3.48Å; Y79-S83 PolarHBondContact O-N 2.78Å; Y79-S83 PolarHBondContact O-OG 3.42Å; F80-S83 WeakPolarHBondContact CA-OG 3.39Å; F80-S83 PolarHBondContact O-N 2.96Å; F80-S83 PolarHBondContact O-OG 2.93Å
84L96.1Very high96.6Very high25 Ų2538 Ų3813%0.13118%0.177CC..THydrogen-bonded Turntrans-89.9-6178.2-66.5171.9000112.8F80 R82 R86 Y153F80-L84 WeakPolarHBondContact O-CB 3.32Å; F80-L84 WeakPolarHBondContact O-CG 3.48Å; F80-L84 PolarHBondContact O-N 3.24Å; R82-L84 VanDerWaalsContact C-N 3.27Å; R82-L84 PolarHBondContact O-N 3.05Å; L84-R86 PolarHBondContact O-N 2.82Å; L84-R86 PolarHBondContact O-NH1 3.32Å; L84-Y153 HydrophobicContact CB-CE1 3.9Å; L84-Y153 HydrophobicContact CD1-CD1 3.99Å; L84-Y153 HydrophobicContact CD1-CE1 3.95Å; L84-Y153 PolarHBondContact O-OH 2.97Å
85H96.2Very high96.9Very high91 Ų9139.6 Ų39.642%0.42118%0.182SC..  trans-65.3106.3-170.7-178.2-76.1000112.3L81 R82 V256L81-H85 WeakPolarHBondContact O-CB 3.4Å; L81-H85 PolarHBondContact O-N 2.89Å; L81-H85 VanDerWaalsContact O-N 3.16Å; R82-H85 VanDerWaalsContact O-CB 3.23Å; R82-H85 WeakPolarHBondContact O-CB 2.96Å; R82-H85 PolarHBondContact O-N 2.88Å; H85-V256 VanDerWaalsContact CD2-CG1 3.49Å; H85-V256 WeakPolarHBondContact CD2-CG1 3.39Å; H85-V256 WeakPolarHBondContact NE2-CG1 3.11Å
86R98Very high97Very high98 Ų9843.3 Ų43.337%0.3720%0.201SC..SBendtrans-156.7166.8175.766.1-168.4177.3-84.54.6110L84 L88 E151L84-R86 PolarHBondContact O-N 2.82Å; L84-R86 PolarHBondContact O-NH1 3.32Å; R86-L88 HydrophobicContact CG-CD2 4.04Å; R86-L88 PolarHBondContact O-N 3.42Å; R86-E151 IonicContact CZ-OE2 2.72Å; R86-E151 IonicContact NE-OE2 3.35Å; R86-E151 PolarHBondContact NH2-O 2.91Å; R86-E151 IonicContact NH2-OE2 3.63Å; R86-E151 PolarHBondContact NH2-OE2 2.93Å
87N98.6Very high97.2Very high56 Ų5646.1 Ų46.130%0.29922%0.218SC..  trans-68.6124.5167.6-169.72.2000109.1L89 S253 S254 I255N87-L89 PolarHBondContact OD1-N 3.23Å; N87-S253 PolarHBondContact ND2-O 3.24Å; N87-S254 VanDerWaalsContact CG-CB 3.49Å; N87-S254 WeakPolarHBondContact ND2-CB 3.5Å; N87-S254 WeakPolarHBondContact OD1-CA 3.44Å; N87-S254 WeakPolarHBondContact OD1-CB 3.16Å; N87-I255 WeakPolarHBondContact CA-O 3.47Å; N87-I255 PolarHBondContact OD1-N 3Å; N87-I255 PolarHBondContact OD1-O 3.38Å
88L98.8Very high97.3Very high6 Ų647.2 Ų47.23%0.03122%0.223CC..  trans-85.1-13.8177.2-53.6-174000112.5R86 V146 L148 E151 Y153 I255 V257R86-L88 HydrophobicContact CG-CD2 4.04Å; R86-L88 PolarHBondContact O-N 3.42Å; L88-V146 HydrophobicContact CB-CG1 3.83Å; L88-V146 HydrophobicContact CB-CG2 4.33Å; L88-V146 HydrophobicContact CD1-CG1 3.91Å; L88-V146 HydrophobicContact CG-CG1 4.5Å; L88-L148 HydrophobicContact CD1-CD2 3.84Å; L88-E151 HydrophobicContact CD2-CB 4.21Å; L88-E151 HydrophobicContact CD2-CG 4.18Å; L88-Y153 HydrophobicContact CD1-CE2 3.81Å; L88-Y153 HydrophobicContact CD2-CE2 3.94Å; L88-I255 HydrophobicContact CB-CB 4.33Å; L88-I255 HydrophobicContact CB-CG2 4.36Å; L88-I255 HydrophobicContact CD1-CG2 4.15Å; L88-I255 HydrophobicContact CG-CG2 4.47Å; L88-I255 PolarHBondContact N-O 3.43Å; L88-V257 HydrophobicContact CD1-CG2 3.97Å
89L98.8Very high97.4Very high6 Ų652 Ų523%0.03124%0.244CC..SBendtrans-79.7130.6172-67.9178.5000110.8N87 W101 Q144 V146 F232 I255N87-L89 PolarHBondContact OD1-N 3.23Å; L89-W101 HydrophobicContact CD1-CH2 4.28Å; L89-W101 HydrophobicContact CD2-CH2 4.44Å; L89-Q144 VanDerWaalsContact CA-OE1 3.26Å; L89-Q144 HydrophobicContact CD2-CB 3.98Å; L89-Q144 HydrophobicContact CD2-CG 4.37Å; L89-V146 HydrophobicContact CD2-CG2 4.13Å; L89-F232 HydrophobicContact CD1-CD1 4.13Å; L89-F232 HydrophobicContact CD1-CD2 3.97Å; L89-F232 HydrophobicContact CD1-CE1 4.26Å; L89-F232 HydrophobicContact CD1-CE2 4.1Å; L89-F232 HydrophobicContact CD1-CG 4Å; L89-F232 HydrophobicContact CD1-CZ 4.24Å; L89-F232 HydrophobicContact CD2-CB 4.09Å; L89-F232 HydrophobicContact CD2-CG 4.29Å; L89-I255 HydrophobicContact CD1-CD1 4.37Å; L89-I255 HydrophobicContact CD1-CG1 4.1Å; L89-I255 HydrophobicContact CD2-CD1 3.94Å; L89-I255 HydrophobicContact CD2-CG1 4.43Å; L89-I255 HydrophobicContact CG-CB 4.32Å; L89-I255 HydrophobicContact CG-CD1 4.07Å; L89-I255 HydrophobicContact CG-CG1 4Å
90R98.7Very high97.4Very high141 Ų14152.9 Ų52.953%0.53226%0.255SS..SBendtrans-86.4145.7172.9-60.3-176.666-172.92.1110.9A100 W101 Q144R90-A100 HydrophobicContact CB-CB 3.64Å; R90-W101 PolarHBondContact O-NE1 3.33Å; R90-Q144 PolarHBondContact O-NE2 3.04Å
91N98.6Very high97.6Very high9 Ų953.1 Ų53.15%0.04826%0.255CS..SBendtrans4853.7178.9-174.428.2000113.5C93 A94 E95 E96 D97 F99 W101N91-C93 VanDerWaalsContact C-N 3.26Å; N91-C93 PolarHBondContact O-N 3.09Å; N91-A94 VanDerWaalsContact OD1-CA 3.28Å; N91-A94 WeakPolarHBondContact OD1-CA 3.48Å; N91-A94 PolarHBondContact OD1-N 3.42Å; N91-E95 PolarHBondContact OD1-N 2.8Å; N91-E96 PolarHBondContact OD1-N 3.25Å; N91-E96 VanDerWaalsContact OD1-N 3.15Å; N91-D97 PolarHBondContact ND2-O 2.97Å; N91-F99 WeakPolarHBondContact CB-O 3.35Å; N91-F99 PolarHBondContact ND2-O 2.92Å; N91-W101 PolarHBondContact O-NE1 2.92Å
92P98.6Very high97.7Very high29 Ų2959 Ų5919%0.18828%0.283CS..THydrogen-bonded Turntrans-70.3-21.2-17530.5-37.5000113.7N252 S253P92-N252 PolarHBondContact O-N 3.2Å; P92-S253 WeakPolarHBondContact CB-O 3.2Å
93C98.5Very high97.8Very high19 Ų1958.8 Ų58.813%0.12829%0.286CS..THydrogen-bonded Turntrans-114.515.9-174.3-55.60000113.8N91 E95 V129 K131 T251N91-C93 VanDerWaalsContact C-N 3.26Å; N91-C93 PolarHBondContact O-N 3.09Å; C93-E95 VanDerWaalsContact C-N 3.28Å; C93-E95 PolarHBondContact O-N 3.41Å; C93-V129 HydrophobicContact CB-CG1 4.34Å; C93-K131 CarbonylContact O-C 3.5Å; C93-K131 VanDerWaalsContact O-CB 3.29Å; C93-K131 WeakPolarHBondContact O-CB 3.07Å; C93-T251 WeakPolarHBondContact CA-OG1 3.33Å
94A98.2Very high98Very high0 Ų058.5 Ų58.50%028%0.281CS..SBendtrans62.226.3178.400000115.6N91 E96 D97 V113 K131 F133N91-A94 VanDerWaalsContact OD1-CA 3.28Å; N91-A94 WeakPolarHBondContact OD1-CA 3.48Å; N91-A94 PolarHBondContact OD1-N 3.42Å; A94-E96 VanDerWaalsContact C-N 3.26Å; A94-E96 PolarHBondContact O-N 3.48Å; A94-D97 PolarHBondContact O-N 3.37Å; A94-V113 HydrophobicContact CB-CB 4.31Å; A94-V113 HydrophobicContact CB-CG1 3.56Å; A94-V113 HydrophobicContact CB-CG2 3.81Å; A94-K131 HydrophobicContact CB-CB 4.2Å; A94-K131 VanDerWaalsContact O-CD 3.24Å; A94-K131 WeakPolarHBondContact O-CD 3.42Å; A94-F133 VanDerWaalsContact CA-CZ 3.44Å; A94-F133 HydrophobicContact CB-CD1 3.79Å; A94-F133 HydrophobicContact CB-CD2 3.98Å; A94-F133 HydrophobicContact CB-CE1 3.46Å; A94-F133 VanDerWaalsContact CB-CE1 3.46Å; A94-F133 HydrophobicContact CB-CE2 3.66Å; A94-F133 HydrophobicContact CB-CG 4.05Å; A94-F133 HydrophobicContact CB-CZ 3.39Å
95E98.2Very high98.1Very high92 Ų9263.3 Ų63.343%0.4330%0.301SS..THydrogen-bonded Turntrans-67.9-30.9177.5-66.5-56.6157.900112.2N91 C93 K131N91-E95 PolarHBondContact OD1-N 2.8Å; C93-E95 VanDerWaalsContact C-N 3.28Å; C93-E95 PolarHBondContact O-N 3.41Å; E95-K131 PolarHBondContact O-NZ 3.25Å; E95-K131 IonicContact OE2-NZ 3.79Å
96E97.8Very high98.2Very high106 Ų10661.7 Ų61.750%0.49530%0.295SS..THydrogen-bonded Turntrans-105.938.6178.4-59.5172-106.900111.1N91 A94 M98 F99N91-E96 PolarHBondContact OD1-N 3.25Å; N91-E96 VanDerWaalsContact OD1-N 3.15Å; A94-E96 VanDerWaalsContact C-N 3.26Å; A94-E96 PolarHBondContact O-N 3.48Å; E96-M98 PolarHBondContact O-N 3Å; E96-F99 HydrophobicContact CB-CB 3.9Å; E96-F99 HydrophobicContact CB-CD1 4.3Å; E96-F99 WeakPolarHBondContact O-CB 3.31Å; E96-F99 PolarHBondContact O-N 2.9Å; E96-F99 WeakPolarHBondContact OE2-CD1 3.41Å
97D97.1Very high98.2Very high103 Ų10357.7 Ų57.755%0.55129%0.285SS*.THydrogen-bonded Turntrans50.6-127.5-173.5-63.3-45000111.6N91 A94 F99 F133N91-D97 PolarHBondContact ND2-O 2.97Å; A94-D97 PolarHBondContact O-N 3.37Å; D97-F99 VanDerWaalsContact C-N 3.33Å; D97-F133 WeakPolarHBondContact O-CE1 3.42Å
98M97.1Very high98.2Very high42 Ų4256 Ų5621%0.20728%0.28CS..THydrogen-bonded Turntrans-89.49177.3-64.4-64.6-69.700113.5E96 W101 I103 W111 V113 F133 K142E96-M98 PolarHBondContact O-N 3Å; M98-W101 PolarHBondContact O-N 2.93Å; M98-I103 HydrophobicContact CE-CD1 3.83Å; M98-I103 HydrophobicContact CE-CG1 3.76Å; M98-W111 HydrophobicContact CE-CB 3.72Å; M98-W111 HydrophobicContact CE-CD2 4.26Å; M98-W111 HydrophobicContact CE-CG 3.73Å; M98-W111 HydrophobicContact SD-CB 4.01Å; M98-W111 HydrophobicContact SD-CG 4.48Å; M98-V113 HydrophobicContact SD-CG2 4.39Å; M98-F133 HydrophobicContact SD-CD1 3.43Å; M98-F133 WeakPolarHBondContact SD-CD1 3.34Å; M98-F133 HydrophobicContact SD-CE1 3.56Å; M98-F133 VanDerWaalsContact SD-CE1 3.56Å; M98-K142 HydrophobicContact CE-CD 3.84Å
99F97.5Very high98.2Very high107 Ų10758.7 Ų58.747%0.46930%0.295SS..THydrogen-bonded Turntrans-58.5144.9-178.1-179-108000111.8N91 E96 D97 W101N91-F99 WeakPolarHBondContact CB-O 3.35Å; N91-F99 PolarHBondContact ND2-O 2.92Å; E96-F99 HydrophobicContact CB-CB 3.9Å; E96-F99 HydrophobicContact CB-CD1 4.3Å; E96-F99 WeakPolarHBondContact O-CB 3.31Å; E96-F99 PolarHBondContact O-N 2.9Å; E96-F99 WeakPolarHBondContact OE2-CD1 3.41Å; D97-F99 VanDerWaalsContact C-N 3.33Å; F99-W101 PolarHBondContact O-N 2.84Å; F99-W101 VanDerWaalsContact O-N 3.16Å
100A96.5Very high98.2Very high33 Ų3366.1 Ų66.127%0.27332%0.322SS..THydrogen-bonded Turntrans64.61.3-176.500000116.6R90 Q144R90-A100 HydrophobicContact CB-CB 3.64Å; A100-Q144 PolarHBondContact O-NE2 2.71Å
101W98.6Very high98.2Very high17 Ų1760.4 Ų60.46%0.06430%0.301CS..  trans-101.3128.7171.8-70.596.9000110.7L89 R90 N91 M98 F99 F133 K142 Q144 F232L89-W101 HydrophobicContact CD1-CH2 4.28Å; L89-W101 HydrophobicContact CD2-CH2 4.44Å; R90-W101 PolarHBondContact O-NE1 3.33Å; N91-W101 PolarHBondContact O-NE1 2.92Å; M98-W101 PolarHBondContact O-N 2.93Å; F99-W101 PolarHBondContact O-N 2.84Å; F99-W101 VanDerWaalsContact O-N 3.16Å; W101-F133 AromaticContact CD1-CZ 3.77Å; W101-F133 AromaticContact NE1-CE2 3.99Å; W101-F133 AromaticContact NE1-CZ 3.64Å; W101-K142 HydrophobicContact CB-CB 4.43Å; W101-K142 HydrophobicContact CB-CD 4.15Å; W101-K142 HydrophobicContact CD2-CD 4Å; W101-K142 HydrophobicContact CD2-CG 4.26Å; W101-K142 HydrophobicContact CE3-CB 4.28Å; W101-K142 HydrophobicContact CE3-CD 4.04Å; W101-K142 HydrophobicContact CE3-CG 3.78Å; W101-K142 HydrophobicContact CG-CD 4.02Å; W101-K142 VanDerWaalsContact CZ2-NZ 3.31Å; W101-K142 HydrophobicContact CZ3-CG 4.31Å; W101-Q144 HydrophobicContact CE3-CB 4.11Å; W101-Q144 HydrophobicContact CZ3-CB 4.03Å; W101-F232 AromaticContact CH2-CD1 3.76Å; W101-F232 HydrophobicContact CH2-CD1 3.76Å; W101-F232 AromaticContact CH2-CE1 3.82Å; W101-F232 HydrophobicContact CH2-CE1 3.82Å; W101-F232 AromaticContact CZ3-CD1 3.82Å; W101-F232 HydrophobicContact CZ3-CD1 3.82Å; W101-F232 HydrophobicContact CZ3-CE1 4.16Å
102Q98.7Very high98.2Very high131 Ų13163.4 Ų63.461%0.61231%0.313SS*.EExtended strand (participates in β ladder)trans-79.9125.1167.5-179.9167.97.400108.4D104 K142 S143Q102-D104 PolarHBondContact O-N 3.36Å; Q102-K142 CarbonylContact O-C 3.55Å; Q102-K142 WeakPolarHBondContact O-CA 3.31Å; Q102-K142 WeakPolarHBondContact O-CB 3.47Å; Q102-S143 PolarHBondContact N-O 3.05Å; Q102-S143 PolarHBondContact O-N 2.65Å
103I98.7Very high98.2Very high71 Ų7163.4 Ų63.436%0.36431%0.313SS..EExtended strand (participates in β ladder)trans-85.9112.6175.5-58177.4000107.6M98 N106M98-I103 HydrophobicContact CE-CD1 3.83Å; M98-I103 HydrophobicContact CE-CG1 3.76Å; I103-N106 HydrophobicContact CG2-CB 3.61Å
104D98.5Very high98.2Very high47 Ų4764.5 Ų64.525%0.25132%0.316SS..EExtended strand (participates in β ladder)trans-85.5-42.9-179.3-50.7-47.6000110.5Q102 L141 K142 S143 Q233Q102-D104 PolarHBondContact O-N 3.36Å; D104-L141 HydrophobicContact CB-CB 4.09Å; D104-L141 PolarHBondContact N-O 2.94Å; D104-K142 VanDerWaalsContact OD2-C 3.29Å; D104-S143 PolarHBondContact OD1-OG 2.88Å; D104-S143 WeakPolarHBondContact OD2-CB 3.37Å; D104-S143 PolarHBondContact OD2-N 2.95Å; D104-S143 PolarHBondContact OD2-OG 2.79Å; D104-S143 VanDerWaalsContact OD2-OG 3.13Å; D104-Q233 PolarHBondContact OD2-NE2 3.46Å
105F98.6Very high98.2Very high125 Ų12568.2 Ų68.255%0.54834%0.342SS..EExtended strand (participates in β ladder)trans-140.1143.2175.7-65.4-89.7000110C140 L141F105-C140 CarbonylContact O-C 3.56Å; F105-C140 WeakPolarHBondContact O-CA 3.48Å; F105-L141 HydrophobicContact CB-CB 4.12Å; F105-L141 HydrophobicContact CD2-CB 3.98Å; F105-L141 HydrophobicContact CD2-CD1 3.68Å; F105-L141 HydrophobicContact CD2-CG 4.3Å; F105-L141 HydrophobicContact CE2-CD1 4.19Å; F105-L141 PolarHBondContact N-O 2.81Å; F105-L141 VanDerWaalsContact N-O 3.14Å; F105-L141 PolarHBondContact O-N 3.17Å; F105-L141 VanDerWaalsContact O-O 3.04Å
106N98.3Very high98.1Very high58 Ų5865.3 Ų65.331%0.3133%0.329SS..EExtended strand (participates in β ladder)trans-14452.4-172.1-149.613.7000111.8I103 R110 W111I103-N106 HydrophobicContact CG2-CB 3.61Å; N106-R110 HydrophobicContact CB-CG 4.48Å; N106-R110 WeakPolarHBondContact OD1-CA 3.45Å; N106-R110 WeakPolarHBondContact OD1-CB 3.32Å; N106-W111 VanDerWaalsContact OD1-CD1 3.31Å; N106-W111 PolarHBondContact OD1-N 2.87Å
107G98.2Very high98.1Very high14 Ų1463.8 Ų63.814%0.14433%0.329CS..  trans-68.3167.5-175.500000114.2D109 R110 T139 C140G107-D109 PolarHBondContact O-N 2.67Å; G107-R110 WeakPolarHBondContact O-CA 3.24Å; G107-R110 PolarHBondContact O-N 3.25Å; G107-T139 PolarHBondContact N-O 2.86Å; G107-T139 VanDerWaalsContact N-O 3.1Å; G107-C140 PolarHBondContact O-SG 3.22Å; G107-C140 VanDerWaalsContact O-SG 3.36Å
108G98.3Very high98Very high20 Ų2059.3 Ų59.321%0.20631%0.307CS..THydrogen-bonded Turntrans55.3-132.617900000112.8R110 Y137 E138G108-R110 PolarHBondContact O-N 2.74Å; G108-Y137 WeakPolarHBondContact CA-OH 3.39Å; G108-E138 PolarHBondContact N-OE2 2.9Å
109D98.6Very high97.9Very high63 Ų6360 Ų6034%0.33732%0.32SS..THydrogen-bonded Turntrans-82.818.5177.5-63-19.8000113.2G107 S136 Y137 G244 W245G107-D109 PolarHBondContact O-N 2.67Å; D109-S136 PolarHBondContact N-OG 3.14Å; D109-Y137 HydrophobicContact CB-CE1 4.31Å; D109-Y137 PolarHBondContact OD1-OH 2.9Å; D109-G244 VanDerWaalsContact OD2-CA 3.29Å; D109-G244 WeakPolarHBondContact OD2-CA 3.48Å; D109-G244 PolarHBondContact OD2-N 2.79Å; D109-W245 HydrophobicContact CB-CZ2 4.03Å; D109-W245 WeakPolarHBondContact O-CZ2 3.42Å; D109-W245 PolarHBondContact O-NE1 3.13Å
110R98.6Very high97.9Very high162 Ų16260.1 Ų60.161%0.61132%0.321SS*.  trans67.8174.2172.1-56.1175.6-173.3-1792.3113.5N106 G107 G108 W245N106-R110 HydrophobicContact CB-CG 4.48Å; N106-R110 WeakPolarHBondContact OD1-CA 3.45Å; N106-R110 WeakPolarHBondContact OD1-CB 3.32Å; G107-R110 WeakPolarHBondContact O-CA 3.24Å; G107-R110 PolarHBondContact O-N 3.25Å; G108-R110 PolarHBondContact O-N 2.74Å; R110-W245 VanDerWaalsContact O-CD1 3.3Å; R110-W245 PolarHBondContact O-NE1 2.9Å
111W98.7Very high97.9Very high20 Ų2059.7 Ų59.78%0.07632%0.32CS..  trans-58.7140.9166-76.7103.9000111.3M98 N106 F133 V134 T135 C140 L141 K142 V250M98-W111 HydrophobicContact CE-CB 3.72Å; M98-W111 HydrophobicContact CE-CD2 4.26Å; M98-W111 HydrophobicContact CE-CG 3.73Å; M98-W111 HydrophobicContact SD-CB 4.01Å; M98-W111 HydrophobicContact SD-CG 4.48Å; N106-W111 VanDerWaalsContact OD1-CD1 3.31Å; N106-W111 PolarHBondContact OD1-N 2.87Å; W111-F133 HydrophobicContact CE3-CB 3.81Å; W111-F133 HydrophobicContact CZ3-CB 3.61Å; W111-V134 WeakPolarHBondContact CA-O 3.45Å; W111-T135 HydrophobicContact CD2-CG2 4.1Å; W111-T135 HydrophobicContact CE3-CG2 3.73Å; W111-T135 HydrophobicContact CH2-CG2 3.19Å; W111-T135 HydrophobicContact CZ2-CG2 3.57Å; W111-T135 HydrophobicContact CZ3-CG2 3.27Å; W111-C140 HydrophobicContact CD2-CB 4.11Å; W111-C140 HydrophobicContact CG-CB 4.3Å; W111-C140 HydrophobicContact CZ2-CB 4.07Å; W111-L141 PolarHBondContact NE1-O 2.97Å; W111-K142 HydrophobicContact CD2-CD 4.45Å; W111-K142 HydrophobicContact CH2-CD 4.27Å; W111-K142 HydrophobicContact CH2-CG 4.34Å; W111-K142 HydrophobicContact CZ2-CB 4.3Å; W111-K142 HydrophobicContact CZ2-CD 4.08Å; W111-K142 HydrophobicContact CZ2-CG 3.87Å; W111-V250 HydrophobicContact CH2-CG2 3.91Å; W111-V250 HydrophobicContact CZ3-CG2 3.89Å
112K98.7Very high97.8Very high72 Ų7261.4 Ų61.431%0.31333%0.332SS..EExtended strand (participates in β ladder)trans-135.2154.7169.7179.5179.6175.9-156.60110.6E114 F133 V134 W245K112-E114 HydrophobicContact CD-CG 4.11Å; K112-E114 WeakPolarHBondContact CE-OE1 3.43Å; K112-E114 HydrophobicContact CG-CG 4.12Å; K112-E114 IonicContact NZ-OE1 2.68Å; K112-E114 PolarHBondContact NZ-OE1 2.83Å; K112-F133 CarbonylContact O-C 3.46Å; K112-F133 WeakPolarHBondContact O-CA 3.08Å; K112-V134 HydrophobicContact CB-CG1 4.03Å; K112-V134 PolarHBondContact N-O 2.99Å; K112-V134 WeakPolarHBondContact O-CG1 3.26Å; K112-V134 PolarHBondContact O-N 3.36Å; K112-W245 VanDerWaalsContact CB-CD1 3.48Å; K112-W245 HydrophobicContact CB-CD2 4.07Å; K112-W245 HydrophobicContact CB-CG 4Å; K112-W245 HydrophobicContact CB-CZ2 4.25Å; K112-W245 HydrophobicContact CD-CD2 3.4Å; K112-W245 VanDerWaalsContact CD-CE2 3.41Å; K112-W245 HydrophobicContact CD-CE3 3.66Å; K112-W245 HydrophobicContact CD-CG 3.96Å; K112-W245 HydrophobicContact CD-CH2 3.93Å; K112-W245 HydrophobicContact CD-CZ2 3.68Å; K112-W245 HydrophobicContact CD-CZ3 3.92Å; K112-W245 HydrophobicContact CG-CD2 4.4Å; K112-W245 HydrophobicContact CG-CZ2 4.5Å
113V98.8Very high97.7Very high30 Ų3060.5 Ų60.518%0.18233%0.332CS..EExtended strand (participates in β ladder)trans-104.8133.3171.4175.40000109.1A94 M98 K131 Y132 F133A94-V113 HydrophobicContact CB-CB 4.31Å; A94-V113 HydrophobicContact CB-CG1 3.56Å; A94-V113 HydrophobicContact CB-CG2 3.81Å; M98-V113 HydrophobicContact SD-CG2 4.39Å; V113-K131 HydrophobicContact CG1-CB 4.3Å; V113-K131 HydrophobicContact CG1-CD 4.03Å; V113-Y132 WeakPolarHBondContact CA-O 3.07Å; V113-F133 HydrophobicContact CG2-CD1 3.76Å; V113-F133 HydrophobicContact CG2-CE1 3.98Å
114E98.6Very high97.7Very high41 Ų4157.9 Ų57.919%0.19232%0.318CS..EExtended strand (participates in β ladder)trans-136.3158.6178.6-62.8-173.615500110.6K112 K131 Y132 V134K112-E114 HydrophobicContact CD-CG 4.11Å; K112-E114 WeakPolarHBondContact CE-OE1 3.43Å; K112-E114 HydrophobicContact CG-CG 4.12Å; K112-E114 IonicContact NZ-OE1 2.68Å; K112-E114 PolarHBondContact NZ-OE1 2.83Å; E114-K131 CarbonylContact O-C 3.49Å; E114-K131 VanDerWaalsContact O-CA 3.23Å; E114-K131 WeakPolarHBondContact O-CA 3.31Å; E114-K131 WeakPolarHBondContact O-CB 3.23Å; E114-Y132 HydrophobicContact CB-CD2 4.46Å; E114-Y132 HydrophobicContact CB-CE1 4.15Å; E114-Y132 HydrophobicContact CB-CE2 3.69Å; E114-Y132 WeakPolarHBondContact CB-OH 3.37Å; E114-Y132 HydrophobicContact CG-CE2 4.35Å; E114-Y132 PolarHBondContact N-O 3.41Å; E114-Y132 VanDerWaalsContact N-O 3.07Å; E114-Y132 PolarHBondContact O-N 3.03Å; E114-Y132 PolarHBondContact OE2-OH 3.39Å; E114-V134 HydrophobicContact CG-CG1 4.12Å
115S98.2Very high97.6Very high78 Ų7860.1 Ų60.155%0.54533%0.334SS..EExtended strand (participates in β ladder)trans-88151177.7-57.90000111.7P117 K130S115-P117 CarbonylContact O-C 3.58Å; S115-K130 CarbonylContact C-O 3.59Å; S115-K130 WeakPolarHBondContact CA-O 3.24Å
116L96.9Very high97.5Very high31 Ų3157 Ų5716%0.16232%0.324CS..SBendtrans-80.6145172.8-72.6162.7000111.9F124 V129 K130 Y132 W213L116-F124 HydrophobicContact CD1-CB 3.62Å; L116-F124 HydrophobicContact CD1-CG 4.45Å; L116-F124 HydrophobicContact CD2-CB 4.35Å; L116-V129 HydrophobicContact CD1-CB 4.28Å; L116-V129 HydrophobicContact CD1-CG1 3.8Å; L116-V129 VanDerWaalsContact CD1-O 3.23Å; L116-V129 WeakPolarHBondContact CD1-O 3.5Å; L116-K130 PolarHBondContact N-O 3.23Å; L116-Y132 HydrophobicContact CD2-CD1 3.58Å; L116-Y132 HydrophobicContact CD2-CE1 3.98Å; L116-Y132 HydrophobicContact CG-CD1 3.83Å; L116-Y132 HydrophobicContact CG-CE1 4.36Å; L116-W213 HydrophobicContact CD2-CZ2 3.59Å
117P96Very high97.3Very high75 Ų7559 Ų5949%0.48734%0.339SS..SBendcis-74.7143.8-13.131.1-33.3000111S115 D123S115-P117 CarbonylContact O-C 3.58Å; P117-D123 WeakPolarHBondContact CD-OD1 3.3Å
118G95.8Very high97.2Very high9 Ų966.5 Ų66.59%0.09337%0.368CS..PPolyproline II helixtrans-71.1161.817400000113.2H120 G121 Y132G118-H120 PolarHBondContact O-N 3.18Å; G118-G121 WeakPolarHBondContact O-CA 2.84Å; G118-G121 PolarHBondContact O-N 3.04Å; G118-Y132 WeakPolarHBondContact CA-OH 3.14Å
119A96.1Very high97.2Very high57 Ų5766 Ų6647%0.47136%0.361SS..THydrogen-bonded Turntrans-56.2128.4173.900000111.3G121 R249A119-G121 PolarHBondContact O-N 3.36Å; A119-G121 VanDerWaalsContact O-N 3.16Å; A119-R249 PolarHBondContact O-NH2 2.68Å
120H97Very high97.2Very high109 Ų10968.7 Ų68.751%0.50537%0.37SS..THydrogen-bonded Turntrans55.527.9-173.9-51.9-92.2000113.6G118 R174 A175 D176 A211G118-H120 PolarHBondContact O-N 3.18Å; H120-R174 HydrophobicContact CB-CB 4.35Å; H120-R174 PolarHBondContact CD2-NH2 2.9Å; H120-A175 HydrophobicContact CB-CB 4.32Å; H120-A175 PolarHBondContact O-N 3.16Å; H120-D176 HydrophobicContact CB-CB 4.46Å; H120-D176 WeakPolarHBondContact CB-OD1 3.44Å; H120-D176 IonicContact CD2-OD1 3.77Å; H120-D176 IonicContact CD2-OD2 3.38Å; H120-D176 PolarHBondContact CD2-OD2 3.08Å; H120-D176 IonicContact CE1-OD2 3.78Å; H120-D176 IonicContact CG-OD1 3.51Å; H120-D176 IonicContact CG-OD2 3.66Å; H120-D176 IonicContact ND1-OD2 3.9Å; H120-D176 IonicContact NE2-OD2 3.5Å; H120-A211 WeakPolarHBondContact O-CB 3.34Å
121G96.4Very high97.2Very high23 Ų2363.4 Ų63.424%0.23735%0.351CS..  trans-109.6176.3173.800000112.7G118 A119G118-G121 WeakPolarHBondContact O-CA 2.84Å; G118-G121 PolarHBondContact O-N 3.04Å; A119-G121 PolarHBondContact O-N 3.36Å; A119-G121 VanDerWaalsContact O-N 3.16Å
122T96Very high97.2Very high53 Ų5362.5 Ų62.533%0.32535%0.348SS..  trans-111.5162.2169.3600000110.3A211 W213T122-A211 HydrophobicContact CG2-CB 4.34Å; T122-A211 PolarHBondContact OG1-O 2.83Å; T122-W213 PolarHBondContact O-NE1 2.72Å; T122-W213 VanDerWaalsContact O-NE1 3.15Å
123D97.2Very high97.2Very high113 Ų11359 Ų5960%0.60433%0.333SS*.  trans-63150.6171.5-74.9-53.5000111.5P117P117-D123 WeakPolarHBondContact CD-OD1 3.3Å
124F97.8Very high97.2Very high16 Ų1657.6 Ų57.67%0.0732%0.324CS..  trans-77.4142.7173.7-168.2-99.4000110.5L116 D126 V129 W170 W213 T251 N252L116-F124 HydrophobicContact CD1-CB 3.62Å; L116-F124 HydrophobicContact CD1-CG 4.45Å; L116-F124 HydrophobicContact CD2-CB 4.35Å; F124-D126 VanDerWaalsContact C-N 3.31Å; F124-D126 HydrophobicContact CD1-CB 3.89Å; F124-D126 VanDerWaalsContact CD1-N 3.29Å; F124-D126 WeakPolarHBondContact CD1-O 3.25Å; F124-D126 HydrophobicContact CE1-CB 3.81Å; F124-D126 PolarHBondContact O-N 2.83Å; F124-V129 HydrophobicContact CB-CB 4.46Å; F124-V129 HydrophobicContact CD1-CB 3.57Å; F124-V129 HydrophobicContact CD1-CG1 4.11Å; F124-V129 HydrophobicContact CD1-CG2 3.59Å; F124-V129 HydrophobicContact CE1-CB 4.08Å; F124-V129 HydrophobicContact CE1-CG2 3.58Å; F124-V129 HydrophobicContact CG-CB 4.11Å; F124-V129 HydrophobicContact CG-CG1 4.26Å; F124-V129 HydrophobicContact CZ-CG2 4.49Å; F124-W170 HydrophobicContact CE2-CB 3.81Å; F124-W170 AromaticContact CE2-CD2 3.61Å; F124-W170 HydrophobicContact CE2-CD2 3.61Å; F124-W170 AromaticContact CE2-CE3 3.67Å; F124-W170 HydrophobicContact CE2-CE3 3.67Å; F124-W170 AromaticContact CE2-CG 3.7Å; F124-W170 HydrophobicContact CE2-CG 3.7Å; F124-W170 HydrophobicContact CE2-CZ3 4.4Å; F124-W170 HydrophobicContact CZ-CB 4.25Å; F124-W170 AromaticContact CZ-CD2 3.54Å; F124-W170 HydrophobicContact CZ-CD2 3.54Å; F124-W170 AromaticContact CZ-CE2 3.8Å; F124-W170 AromaticContact CZ-CE3 3.93Å; F124-W170 HydrophobicContact CZ-CE3 3.93Å; F124-W170 AromaticContact CZ-CG 3.7Å; F124-W170 HydrophobicContact CZ-CG 3.7Å; F124-W170 HydrophobicContact CZ-CZ2 4.36Å; F124-W170 HydrophobicContact CZ-CZ3 4.47Å; F124-W213 HydrophobicContact CD2-CB 4.2Å; F124-W213 AromaticContact CD2-CD2 3.62Å; F124-W213 HydrophobicContact CD2-CD2 3.62Å; F124-W213 AromaticContact CD2-CE3 3.99Å; F124-W213 HydrophobicContact CD2-CE3 3.99Å; F124-W213 AromaticContact CD2-CG 3.71Å; F124-W213 HydrophobicContact CD2-CG 3.71Å; F124-W213 HydrophobicContact CE2-CB 4.35Å; F124-W213 HydrophobicContact CE2-CD2 4.13Å; F124-W213 HydrophobicContact CE2-CE3 4.11Å; F124-W213 HydrophobicContact CE2-CG 4.24Å; F124-T251 HydrophobicContact CD2-CG2 4.07Å; F124-T251 HydrophobicContact CE2-CG2 3.98Å; F124-N252 HydrophobicContact CE1-CB 4.34Å; F124-N252 HydrophobicContact CZ-CB 3.89Å
125P96Very high97.2Very high93 Ų9355.7 Ų55.760%0.60432%0.315SS*.SBendtrans-58.4-35.7-177.7-27.835.8000115W170P125-W170 HydrophobicContact CG-CH2 4.32Å; P125-W170 HydrophobicContact CG-CZ3 4.12Å
126D96.4Very high97.2Very high61 Ų6152 Ų5233%0.32629%0.289SS..SBendtrans-90.2114.9173.4-173.2-17.1000110.6F124 K128 V129F124-D126 VanDerWaalsContact C-N 3.31Å; F124-D126 HydrophobicContact CD1-CB 3.89Å; F124-D126 VanDerWaalsContact CD1-N 3.29Å; F124-D126 WeakPolarHBondContact CD1-O 3.25Å; F124-D126 HydrophobicContact CE1-CB 3.81Å; F124-D126 PolarHBondContact O-N 2.83Å; D126-K128 PolarHBondContact O-N 3.29Å; D126-K128 VanDerWaalsContact OD1-CB 3.29Å; D126-K128 WeakPolarHBondContact OD1-CB 3.41Å; D126-K128 WeakPolarHBondContact OD1-CG 3.17Å; D126-K128 PolarHBondContact OD1-N 3.47Å; D126-V129 HydrophobicContact CB-CG2 4.25Å; D126-V129 PolarHBondContact O-N 2.91Å; D126-V129 VanDerWaalsContact O-N 3.11Å
127P95.1Very high97.3Very high98 Ų9852.7 Ų52.764%0.63629%0.29SS*.THydrogen-bonded Turntrans-65.2-10.6-179.328.7-36.7000113.7K130P127-K130 WeakPolarHBondContact O-CE 3.14Å; P127-K130 PolarHBondContact O-NZ 3.23Å
128K96.5Very high97.4Very high173 Ų17353 Ų5375%0.75229%0.285SS*.THydrogen-bonded Turntrans-76.5-21.9175.4-64.4175.2-177173.50113.1D126D126-K128 PolarHBondContact O-N 3.29Å; D126-K128 VanDerWaalsContact OD1-CB 3.29Å; D126-K128 WeakPolarHBondContact OD1-CB 3.41Å; D126-K128 WeakPolarHBondContact OD1-CG 3.17Å; D126-K128 PolarHBondContact OD1-N 3.47Å
129V98.2Very high97.5Very high10 Ų1055.7 Ų55.76%0.06130%0.3CS..  trans-80.5120.9176.7-176.60000108.3C93 L116 F124 D126 T251 N252C93-V129 HydrophobicContact CB-CG1 4.34Å; L116-V129 HydrophobicContact CD1-CB 4.28Å; L116-V129 HydrophobicContact CD1-CG1 3.8Å; L116-V129 VanDerWaalsContact CD1-O 3.23Å; L116-V129 WeakPolarHBondContact CD1-O 3.5Å; F124-V129 HydrophobicContact CB-CB 4.46Å; F124-V129 HydrophobicContact CD1-CB 3.57Å; F124-V129 HydrophobicContact CD1-CG1 4.11Å; F124-V129 HydrophobicContact CD1-CG2 3.59Å; F124-V129 HydrophobicContact CE1-CB 4.08Å; F124-V129 HydrophobicContact CE1-CG2 3.58Å; F124-V129 HydrophobicContact CG-CB 4.11Å; F124-V129 HydrophobicContact CG-CG1 4.26Å; F124-V129 HydrophobicContact CZ-CG2 4.49Å; D126-V129 HydrophobicContact CB-CG2 4.25Å; D126-V129 PolarHBondContact O-N 2.91Å; D126-V129 VanDerWaalsContact O-N 3.11Å; V129-T251 HydrophobicContact CG1-CG2 3.91Å; V129-N252 HydrophobicContact CG2-CB 4.22Å
130K98.1Very high97.6Very high119 Ų11953 Ų5352%0.51728%0.277SS..  trans-113.9-20.1-173.6-59.5-52.8-169.6-175.20114.6S115 L116 P127S115-K130 CarbonylContact C-O 3.59Å; S115-K130 WeakPolarHBondContact CA-O 3.24Å; L116-K130 PolarHBondContact N-O 3.23Å; P127-K130 WeakPolarHBondContact O-CE 3.14Å; P127-K130 PolarHBondContact O-NZ 3.23Å
131K98.7Very high97.7Very high50 Ų5048.4 Ų48.422%0.21726%0.256CS..EExtended strand (participates in β ladder)trans-135.1165.2-177.5-64.5174.9-176173.70111.7C93 A94 E95 V113 E114 T251C93-K131 CarbonylContact O-C 3.5Å; C93-K131 VanDerWaalsContact O-CB 3.29Å; C93-K131 WeakPolarHBondContact O-CB 3.07Å; A94-K131 HydrophobicContact CB-CB 4.2Å; A94-K131 VanDerWaalsContact O-CD 3.24Å; A94-K131 WeakPolarHBondContact O-CD 3.42Å; E95-K131 PolarHBondContact O-NZ 3.25Å; E95-K131 IonicContact OE2-NZ 3.79Å; V113-K131 HydrophobicContact CG1-CB 4.3Å; V113-K131 HydrophobicContact CG1-CD 4.03Å; E114-K131 CarbonylContact O-C 3.49Å; E114-K131 VanDerWaalsContact O-CA 3.23Å; E114-K131 WeakPolarHBondContact O-CA 3.31Å; E114-K131 WeakPolarHBondContact O-CB 3.23Å; K131-T251 PolarHBondContact O-OG1 3.48Å
132Y98.8Very high97.9Very high1 Ų147.3 Ų47.30%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-143.7161.3173.460.8-96.7000110.8V113 E114 L116 G118 V134 W213 R249V113-Y132 WeakPolarHBondContact CA-O 3.07Å; E114-Y132 HydrophobicContact CB-CD2 4.46Å; E114-Y132 HydrophobicContact CB-CE1 4.15Å; E114-Y132 HydrophobicContact CB-CE2 3.69Å; E114-Y132 WeakPolarHBondContact CB-OH 3.37Å; E114-Y132 HydrophobicContact CG-CE2 4.35Å; E114-Y132 PolarHBondContact N-O 3.41Å; E114-Y132 VanDerWaalsContact N-O 3.07Å; E114-Y132 PolarHBondContact O-N 3.03Å; E114-Y132 PolarHBondContact OE2-OH 3.39Å; L116-Y132 HydrophobicContact CD2-CD1 3.58Å; L116-Y132 HydrophobicContact CD2-CE1 3.98Å; L116-Y132 HydrophobicContact CG-CD1 3.83Å; L116-Y132 HydrophobicContact CG-CE1 4.36Å; G118-Y132 WeakPolarHBondContact CA-OH 3.14Å; Y132-V134 HydrophobicContact CD2-CB 4.05Å; Y132-V134 HydrophobicContact CE2-CB 3.81Å; Y132-V134 HydrophobicContact CE2-CG1 4.1Å; Y132-W213 HydrophobicContact CD1-CH2 4.37Å; Y132-W213 HydrophobicContact CD1-CZ2 4.25Å; Y132-W213 HydrophobicContact CG-CH2 4.13Å; Y132-W213 HydrophobicContact CG-CZ2 4.45Å; Y132-R249 HydrophobicContact CD2-CB 3.85Å; Y132-R249 HydrophobicContact CD2-CG 3.83Å; Y132-R249 HydrophobicContact CE2-CB 4.27Å; Y132-R249 HydrophobicContact CE2-CG 3.72Å; Y132-R249 HydrophobicContact CG-CB 4.36Å
133F98.9Very high98Very high0 Ų045 Ų450%023%0.231CC..EExtended strand (participates in β ladder)trans-91.4141.5166.8-55.1-83.4000109.4A94 D97 M98 W101 W111 K112 V113 R249 V250A94-F133 VanDerWaalsContact CA-CZ 3.44Å; A94-F133 HydrophobicContact CB-CD1 3.79Å; A94-F133 HydrophobicContact CB-CD2 3.98Å; A94-F133 HydrophobicContact CB-CE1 3.46Å; A94-F133 VanDerWaalsContact CB-CE1 3.46Å; A94-F133 HydrophobicContact CB-CE2 3.66Å; A94-F133 HydrophobicContact CB-CG 4.05Å; A94-F133 HydrophobicContact CB-CZ 3.39Å; D97-F133 WeakPolarHBondContact O-CE1 3.42Å; M98-F133 HydrophobicContact SD-CD1 3.43Å; M98-F133 WeakPolarHBondContact SD-CD1 3.34Å; M98-F133 HydrophobicContact SD-CE1 3.56Å; M98-F133 VanDerWaalsContact SD-CE1 3.56Å; W101-F133 AromaticContact CD1-CZ 3.77Å; W101-F133 AromaticContact NE1-CE2 3.99Å; W101-F133 AromaticContact NE1-CZ 3.64Å; W111-F133 HydrophobicContact CE3-CB 3.81Å; W111-F133 HydrophobicContact CZ3-CB 3.61Å; K112-F133 CarbonylContact O-C 3.46Å; K112-F133 WeakPolarHBondContact O-CA 3.08Å; V113-F133 HydrophobicContact CG2-CD1 3.76Å; V113-F133 HydrophobicContact CG2-CE1 3.98Å; F133-R249 CarbonylContact O-C 3.44Å; F133-R249 VanDerWaalsContact O-CA 3.24Å; F133-R249 WeakPolarHBondContact O-CA 3.42Å; F133-V250 HydrophobicContact CB-CG2 3.88Å; F133-V250 HydrophobicContact CD2-CG2 4.43Å; F133-V250 PolarHBondContact N-O 3.5Å; F133-V250 PolarHBondContact O-N 2.94Å
134V98.8Very high98.1Very high0 Ų040.4 Ų40.40%021%0.206CC..EExtended strand (participates in β ladder)trans-132.2139.8176.261.40000111.1W111 K112 E114 Y132 W245 R249W111-V134 WeakPolarHBondContact CA-O 3.45Å; K112-V134 HydrophobicContact CB-CG1 4.03Å; K112-V134 PolarHBondContact N-O 2.99Å; K112-V134 WeakPolarHBondContact O-CG1 3.26Å; K112-V134 PolarHBondContact O-N 3.36Å; E114-V134 HydrophobicContact CG-CG1 4.12Å; Y132-V134 HydrophobicContact CD2-CB 4.05Å; Y132-V134 HydrophobicContact CE2-CB 3.81Å; Y132-V134 HydrophobicContact CE2-CG1 4.1Å; V134-W245 HydrophobicContact CB-CB 4.45Å; V134-W245 HydrophobicContact CG1-CB 3.73Å; V134-W245 HydrophobicContact CG1-CG 3.99Å; V134-W245 HydrophobicContact CG2-CB 3.91Å; V134-R249 HydrophobicContact CB-CG 4.22Å; V134-R249 HydrophobicContact CG2-CG 3.9Å
135T98.8Very high98.1Very high0 Ų043.5 Ų43.50%022%0.223CC..  trans-93.7169.9179.754.90000111.7W111 C140 W245 G247 P248W111-T135 HydrophobicContact CD2-CG2 4.1Å; W111-T135 HydrophobicContact CE3-CG2 3.73Å; W111-T135 HydrophobicContact CH2-CG2 3.19Å; W111-T135 HydrophobicContact CZ2-CG2 3.57Å; W111-T135 HydrophobicContact CZ3-CG2 3.27Å; T135-C140 HydrophobicContact CG2-CB 3.49Å; T135-C140 VanDerWaalsContact CG2-CB 3.49Å; T135-W245 WeakPolarHBondContact O-CA 3.38Å; T135-G247 PolarHBondContact O-N 3.02Å; T135-G247 VanDerWaalsContact OG1-CA 3.26Å; T135-G247 WeakPolarHBondContact OG1-CA 3.1Å; T135-P248 HydrophobicContact CG2-CG 4.3Å; T135-P248 PolarHBondContact N-O 2.94Å; T135-P248 VanDerWaalsContact N-O 3.16Å; T135-P248 WeakPolarHBondContact OG1-CD 3.4Å; T135-P248 VanDerWaalsContact OG1-CG 3.3Å; T135-P248 WeakPolarHBondContact OG1-CG 3.47Å; T135-P248 PolarHBondContact OG1-O 3.3Å
136S98.5Very high98.2Very high0 Ų039.3 Ų39.30%020%0.196CC..  trans-105.8-157.5-177.1-165.60000111.4D109 S237 D238 G244D109-S136 PolarHBondContact N-OG 3.14Å; S136-S237 WeakPolarHBondContact O-CA 3.24Å; S136-D238 PolarHBondContact O-N 2.83Å; S136-G244 WeakPolarHBondContact CA-O 3.42Å; S136-G244 WeakPolarHBondContact CB-O 3.49Å; S136-G244 PolarHBondContact OG-O 3.11Å
137Y97.8Very high98.4Very high47 Ų4739 Ų3918%0.18419%0.194CC..SBendtrans-84.8-14.1-177.252.1-87.5000114.6G108 D109 D238 Y241 W242 A243G108-Y137 WeakPolarHBondContact CA-OH 3.39Å; D109-Y137 HydrophobicContact CB-CE1 4.31Å; D109-Y137 PolarHBondContact OD1-OH 2.9Å; Y137-D238 VanDerWaalsContact CA-CG 3.47Å; Y137-D238 VanDerWaalsContact CB-OD2 3.27Å; Y137-D238 WeakPolarHBondContact CB-OD2 3.3Å; Y137-Y241 HydrophobicContact CD2-CD1 4.4Å; Y137-Y241 HydrophobicContact CD2-CD2 4.18Å; Y137-Y241 HydrophobicContact CD2-CE1 4.2Å; Y137-Y241 AromaticContact CD2-CE2 3.95Å; Y137-Y241 HydrophobicContact CD2-CE2 3.95Å; Y137-Y241 HydrophobicContact CD2-CG 4.41Å; Y137-Y241 AromaticContact CD2-CZ 3.97Å; Y137-Y241 WeakPolarHBondContact O-CD2 3.47Å; Y137-W242 VanDerWaalsContact CD1-O 3.29Å; Y137-W242 WeakPolarHBondContact CD1-O 3.27Å; Y137-A243 HydrophobicContact CE1-CB 4.31Å
138E98.3Very high98.5Very high80 Ų8034.3 Ų34.337%0.37416%0.164SC..SBendtrans-111165.9166.6-62.1-178.5150.900110G108 C140 Y241G108-E138 PolarHBondContact N-OE2 2.9Å; E138-C140 PolarHBondContact O-N 2.79Å; E138-Y241 HydrophobicContact CG-CE2 3.88Å; E138-Y241 PolarHBondContact OE1-OH 2.59Å
139T98.5Very high98.6Very high66 Ų6628.9 Ų28.941%0.40515%0.145SC..  trans-58122.3-175.6-55.60000112.1G107 L141G107-T139 PolarHBondContact N-O 2.86Å; G107-T139 VanDerWaalsContact N-O 3.1Å; T139-L141 HydrophobicContact CG2-CD1 4.27Å; T139-L141 HydrophobicContact CG2-CG 4.07Å
140C98.8Very high98.6Very high0 Ų032.1 Ų32.10%017%0.172CC..EExtended strand (participates in β ladder)trans-116.2128.3169.6-74.30000108.7F105 G107 W111 T135 E138 G235 G236F105-C140 CarbonylContact O-C 3.56Å; F105-C140 WeakPolarHBondContact O-CA 3.48Å; G107-C140 PolarHBondContact O-SG 3.22Å; G107-C140 VanDerWaalsContact O-SG 3.36Å; W111-C140 HydrophobicContact CD2-CB 4.11Å; W111-C140 HydrophobicContact CG-CB 4.3Å; W111-C140 HydrophobicContact CZ2-CB 4.07Å; T135-C140 HydrophobicContact CG2-CB 3.49Å; T135-C140 VanDerWaalsContact CG2-CB 3.49Å; E138-C140 PolarHBondContact O-N 2.79Å; C140-G235 CarbonylContact O-C 3.55Å; C140-G235 WeakPolarHBondContact O-CA 3.5Å; C140-G236 PolarHBondContact N-O 2.81Å; C140-G236 PolarHBondContact O-N 2.93Å
141L98.9Very high98.6Very high13 Ų1329.2 Ų29.27%0.06816%0.161CC..EExtended strand (participates in β ladder)trans-135.7141.3178.1-76.8176.9000109.6D104 F105 W111 T139 Q182 Q233 H234D104-L141 HydrophobicContact CB-CB 4.09Å; D104-L141 PolarHBondContact N-O 2.94Å; F105-L141 HydrophobicContact CB-CB 4.12Å; F105-L141 HydrophobicContact CD2-CB 3.98Å; F105-L141 HydrophobicContact CD2-CD1 3.68Å; F105-L141 HydrophobicContact CD2-CG 4.3Å; F105-L141 HydrophobicContact CE2-CD1 4.19Å; F105-L141 PolarHBondContact N-O 2.81Å; F105-L141 VanDerWaalsContact N-O 3.14Å; F105-L141 PolarHBondContact O-N 3.17Å; F105-L141 VanDerWaalsContact O-O 3.04Å; W111-L141 PolarHBondContact NE1-O 2.97Å; T139-L141 HydrophobicContact CG2-CD1 4.27Å; T139-L141 HydrophobicContact CG2-CG 4.07Å; L141-Q182 HydrophobicContact CD2-CG 3.88Å; L141-Q233 HydrophobicContact CD2-CG 4.26Å; L141-H234 WeakPolarHBondContact CA-O 3.48Å; L141-H234 WeakPolarHBondContact CD2-O 3.3Å
142K98.9Very high98.5Very high0 Ų027.4 Ų27.40%016%0.157CC..EExtended strand (participates in β ladder)trans-136.5150.9171.667.6-174.8-178.669.70110.7M98 W101 Q102 D104 W111 Q233 H234M98-K142 HydrophobicContact CE-CD 3.84Å; W101-K142 HydrophobicContact CB-CB 4.43Å; W101-K142 HydrophobicContact CB-CD 4.15Å; W101-K142 HydrophobicContact CD2-CD 4Å; W101-K142 HydrophobicContact CD2-CG 4.26Å; W101-K142 HydrophobicContact CE3-CB 4.28Å; W101-K142 HydrophobicContact CE3-CD 4.04Å; W101-K142 HydrophobicContact CE3-CG 3.78Å; W101-K142 HydrophobicContact CG-CD 4.02Å; W101-K142 VanDerWaalsContact CZ2-NZ 3.31Å; W101-K142 HydrophobicContact CZ3-CG 4.31Å; Q102-K142 CarbonylContact O-C 3.55Å; Q102-K142 WeakPolarHBondContact O-CA 3.31Å; Q102-K142 WeakPolarHBondContact O-CB 3.47Å; D104-K142 VanDerWaalsContact OD2-C 3.29Å; W111-K142 HydrophobicContact CD2-CD 4.45Å; W111-K142 HydrophobicContact CH2-CD 4.27Å; W111-K142 HydrophobicContact CH2-CG 4.34Å; W111-K142 HydrophobicContact CZ2-CB 4.3Å; W111-K142 HydrophobicContact CZ2-CD 4.08Å; W111-K142 HydrophobicContact CZ2-CG 3.87Å; K142-Q233 WeakPolarHBondContact O-CA 3.12Å; K142-H234 WeakPolarHBondContact CE-NE2 3.44Å; K142-H234 PolarHBondContact N-O 2.97Å; K142-H234 PolarHBondContact NZ-NE2 2.95Å; K142-H234 PolarHBondContact O-N 2.98Å; K142-H234 VanDerWaalsContact O-N 3.07Å
143S98.9Very high98.4Very high4 Ų427.4 Ų27.43%0.02816%0.156CC..EExtended strand (participates in β ladder)trans-135.4160.7-177.965.30000113.7Q102 D104 F232Q102-S143 PolarHBondContact N-O 3.05Å; Q102-S143 PolarHBondContact O-N 2.65Å; D104-S143 PolarHBondContact OD1-OG 2.88Å; D104-S143 WeakPolarHBondContact OD2-CB 3.37Å; D104-S143 PolarHBondContact OD2-N 2.95Å; D104-S143 PolarHBondContact OD2-OG 2.79Å; D104-S143 VanDerWaalsContact OD2-OG 3.13Å; S143-F232 CarbonylContact C-O 3.59Å; S143-F232 WeakPolarHBondContact CA-O 3.35Å; S143-F232 VanDerWaalsContact CB-O 3.31Å; S143-F232 WeakPolarHBondContact CB-O 3.29Å
144Q98.8Very high98.3Very high18 Ų1830.6 Ų30.68%0.08417%0.169CC..EExtended strand (participates in β ladder)trans-140133165.9-164.6173.7103.700108.8L89 R90 A100 W101 F232L89-Q144 VanDerWaalsContact CA-OE1 3.26Å; L89-Q144 HydrophobicContact CD2-CB 3.98Å; L89-Q144 HydrophobicContact CD2-CG 4.37Å; R90-Q144 PolarHBondContact O-NE2 3.04Å; A100-Q144 PolarHBondContact O-NE2 2.71Å; W101-Q144 HydrophobicContact CE3-CB 4.11Å; W101-Q144 HydrophobicContact CZ3-CB 4.03Å; Q144-F232 PolarHBondContact N-O 2.83Å; Q144-F232 PolarHBondContact O-N 2.88Å
145L98.8Very high98.2Very high81 Ų8135.8 Ų35.842%0.42419%0.193SC..EExtended strand (participates in β ladder)trans-99.1118.7174.4-174.171.2000108.8Y192 Y229 I230 L231L145-Y192 HydrophobicContact CD2-CE1 3.97Å; L145-Y229 HydrophobicContact CD1-CG 4.46Å; L145-Y229 HydrophobicContact CD2-CD1 4.39Å; L145-Y229 HydrophobicContact CG-CD1 4.36Å; L145-I230 WeakPolarHBondContact CA-O 3.47Å; L145-L231 HydrophobicContact CD1-CB 4.1Å; L145-L231 HydrophobicContact CD1-CD1 4.45Å
146V98.8Very high98.1Very high5 Ų541.7 Ų41.73%0.0322%0.221CC..EExtended strand (participates in β ladder)trans-96.8125.4177.8178.20000109.1L88 L89 L148 E151 Y229 I230 I255L88-V146 HydrophobicContact CB-CG1 3.83Å; L88-V146 HydrophobicContact CB-CG2 4.33Å; L88-V146 HydrophobicContact CD1-CG1 3.91Å; L88-V146 HydrophobicContact CG-CG1 4.5Å; L89-V146 HydrophobicContact CD2-CG2 4.13Å; V146-L148 HydrophobicContact CG1-CD2 4.46Å; V146-E151 HydrophobicContact CG1-CG 4.11Å; V146-Y229 CarbonylContact O-C 3.53Å; V146-Y229 WeakPolarHBondContact O-CA 3.33Å; V146-Y229 WeakPolarHBondContact O-CB 3.29Å; V146-I230 HydrophobicContact CB-CB 4.28Å; V146-I230 PolarHBondContact N-O 2.96Å; V146-I230 PolarHBondContact O-N 3.38Å; V146-I255 HydrophobicContact CG2-CD1 4.3Å
147D98.8Very high97.9Very high54 Ų5441.7 Ų41.729%0.28922%0.221SC..EExtended strand (participates in β ladder)trans-91.4107.1169.8-177.4-29.9000109.6V149 A150 E151 Y229D147-V149 VanDerWaalsContact C-N 3.31Å; D147-V149 PolarHBondContact O-N 3.29Å; D147-V149 PolarHBondContact OD1-N 3.36Å; D147-A150 HydrophobicContact CB-CB 3.79Å; D147-A150 PolarHBondContact O-N 3.46Å; D147-A150 PolarHBondContact OD1-N 3.41Å; D147-E151 WeakPolarHBondContact O-CB 3.49Å; D147-E151 VanDerWaalsContact O-CG 3.28Å; D147-E151 WeakPolarHBondContact O-CG 3.33Å; D147-E151 PolarHBondContact O-N 3.13Å; D147-Y229 HydrophobicContact CB-CD1 3.83Å; D147-Y229 HydrophobicContact CB-CE1 3.7Å; D147-Y229 WeakPolarHBondContact OD2-CE1 3.42Å
148L98.7Very high97.9Very high0 Ų039.5 Ų39.50%021%0.212CC..THydrogen-bonded Turntrans-66.7-33.9-175.2-70.1169.5000112.5L88 V146 E151 G152 Y153 L158 I165 V227 R228 I230 V257L88-L148 HydrophobicContact CD1-CD2 3.84Å; V146-L148 HydrophobicContact CG1-CD2 4.46Å; L148-E151 CarbonylContact O-C 3.59Å; L148-E151 PolarHBondContact O-N 3.47Å; L148-G152 PolarHBondContact O-N 2.97Å; L148-Y153 HydrophobicContact CB-CD2 4.46Å; L148-Y153 HydrophobicContact CD2-CD2 4.03Å; L148-Y153 WeakPolarHBondContact O-CA 3.41Å; L148-Y153 WeakPolarHBondContact O-CB 3.06Å; L148-Y153 WeakPolarHBondContact O-CD2 3.17Å; L148-Y153 PolarHBondContact O-N 3.16Å; L148-L158 HydrophobicContact CB-CD1 3.78Å; L148-L158 HydrophobicContact CD1-CD1 4.07Å; L148-L158 HydrophobicContact CD1-CD2 4.07Å; L148-I165 HydrophobicContact CD1-CD1 4.47Å; L148-V227 HydrophobicContact CD1-CG1 3.77Å; L148-R228 WeakPolarHBondContact CB-O 3.23Å; L148-R228 PolarHBondContact N-O 2.9Å; L148-I230 HydrophobicContact CD1-CD1 4.16Å; L148-I230 HydrophobicContact CD1-CG1 4.03Å; L148-I230 HydrophobicContact CD2-CD1 3.77Å; L148-I230 HydrophobicContact CD2-CG1 4.32Å; L148-I230 HydrophobicContact CG-CD1 4.21Å; L148-I230 HydrophobicContact CG-CG1 4.22Å; L148-V257 HydrophobicContact CD2-CG2 4.01Å
149V98.1Very high97.9Very high59 Ų5937.2 Ų37.236%0.35820%0.202SC..THydrogen-bonded Turntrans-71.5-42.8-179.7179.20000109.9D147 E151 G152 Y153 E155D147-V149 VanDerWaalsContact C-N 3.31Å; D147-V149 PolarHBondContact O-N 3.29Å; D147-V149 PolarHBondContact OD1-N 3.36Å; V149-E151 VanDerWaalsContact C-N 3.26Å; V149-E151 PolarHBondContact O-N 3.24Å; V149-G152 WeakPolarHBondContact O-CA 3.35Å; V149-G152 PolarHBondContact O-N 2.63Å; V149-Y153 WeakPolarHBondContact CA-O 3.17Å; V149-E155 HydrophobicContact CG2-CG 4.27Å
150A98.1Very high97.7Very high77 Ų7737.7 Ų37.764%0.63621%0.205SC*.THydrogen-bonded Turntrans-62-34.7173.300000112.2D147 G152D147-A150 HydrophobicContact CB-CB 3.79Å; D147-A150 PolarHBondContact O-N 3.46Å; D147-A150 PolarHBondContact OD1-N 3.41Å; A150-G152 PolarHBondContact O-N 2.94Å
151E98.1Very high97.5Very high58 Ų5841 Ų4127%0.27122%0.22SC..THydrogen-bonded Turntrans-75.1-0.8173.7-68.6-59.1148.500113.9R86 L88 V146 D147 L148 V149 Y153R86-E151 IonicContact CZ-OE2 2.72Å; R86-E151 IonicContact NE-OE2 3.35Å; R86-E151 PolarHBondContact NH2-O 2.91Å; R86-E151 IonicContact NH2-OE2 3.63Å; R86-E151 PolarHBondContact NH2-OE2 2.93Å; L88-E151 HydrophobicContact CD2-CB 4.21Å; L88-E151 HydrophobicContact CD2-CG 4.18Å; V146-E151 HydrophobicContact CG1-CG 4.11Å; D147-E151 WeakPolarHBondContact O-CB 3.49Å; D147-E151 VanDerWaalsContact O-CG 3.28Å; D147-E151 WeakPolarHBondContact O-CG 3.33Å; D147-E151 PolarHBondContact O-N 3.13Å; L148-E151 CarbonylContact O-C 3.59Å; L148-E151 PolarHBondContact O-N 3.47Å; V149-E151 VanDerWaalsContact C-N 3.26Å; V149-E151 PolarHBondContact O-N 3.24Å; E151-Y153 HydrophobicContact CB-CD2 4Å; E151-Y153 HydrophobicContact CB-CE2 4.01Å
152G96.3Very high97.4Very high13 Ų1343.7 Ų43.713%0.13423%0.229CC..THydrogen-bonded Turntrans100.6217100000115.4R31 L148 V149 A150 W154R31-G152 PolarHBondContact NH2-O 2.83Å; L148-G152 PolarHBondContact O-N 2.97Å; V149-G152 WeakPolarHBondContact O-CA 3.35Å; V149-G152 PolarHBondContact O-N 2.63Å; A150-G152 PolarHBondContact O-N 2.94Å; G152-W154 PolarHBondContact O-N 3.26Å
153Y97.3Very high97.3Very high0 Ų043.8 Ų43.80%023%0.23CC..  trans-86.797.9175.3-54.4-82.3000109.7L81 L84 L88 L148 V149 E151 L157 L158 V257L81-Y153 HydrophobicContact CD2-CD1 4.39Å; L81-Y153 HydrophobicContact CD2-CE1 4.26Å; L84-Y153 HydrophobicContact CB-CE1 3.9Å; L84-Y153 HydrophobicContact CD1-CD1 3.99Å; L84-Y153 HydrophobicContact CD1-CE1 3.95Å; L84-Y153 PolarHBondContact O-OH 2.97Å; L88-Y153 HydrophobicContact CD1-CE2 3.81Å; L88-Y153 HydrophobicContact CD2-CE2 3.94Å; L148-Y153 HydrophobicContact CB-CD2 4.46Å; L148-Y153 HydrophobicContact CD2-CD2 4.03Å; L148-Y153 WeakPolarHBondContact O-CA 3.41Å; L148-Y153 WeakPolarHBondContact O-CB 3.06Å; L148-Y153 WeakPolarHBondContact O-CD2 3.17Å; L148-Y153 PolarHBondContact O-N 3.16Å; V149-Y153 WeakPolarHBondContact CA-O 3.17Å; E151-Y153 HydrophobicContact CB-CD2 4Å; E151-Y153 HydrophobicContact CB-CE2 4.01Å; Y153-L157 HydrophobicContact CD1-CD2 3.9Å; Y153-L158 WeakPolarHBondContact O-CD1 3.35Å; Y153-V257 HydrophobicContact CD1-CB 4.1Å; Y153-V257 HydrophobicContact CD1-CG1 3.95Å; Y153-V257 HydrophobicContact CD1-CG2 4.23Å; Y153-V257 HydrophobicContact CD2-CG2 4.25Å; Y153-V257 HydrophobicContact CE1-CB 3.43Å; Y153-V257 VanDerWaalsContact CE1-CB 3.43Å; Y153-V257 HydrophobicContact CE1-CG1 3.69Å; Y153-V257 HydrophobicContact CE1-CG2 3.83Å; Y153-V257 HydrophobicContact CE2-CB 4.3Å; Y153-V257 HydrophobicContact CE2-CG2 3.84Å; Y153-V257 HydrophobicContact CG-CG2 4.43Å
154W96.4Very high97.2Very high67 Ų6744.2 Ų44.225%0.25423%0.232SC..  trans-70.6159.4-174.867.397.4000112.6I77 F80 G152 E156 L157 L158I77-W154 HydrophobicContact CD1-CH2 4.33Å; I77-W154 HydrophobicContact CD1-CZ2 3.94Å; F80-W154 HydrophobicContact CB-CH2 3.9Å; F80-W154 HydrophobicContact CB-CZ3 4.05Å; F80-W154 HydrophobicContact CD1-CH2 4.42Å; F80-W154 HydrophobicContact CD1-CZ3 4.18Å; F80-W154 HydrophobicContact CD2-CH2 4.03Å; F80-W154 AromaticContact CG-CH2 3.86Å; F80-W154 HydrophobicContact CG-CH2 3.86Å; F80-W154 HydrophobicContact CG-CZ3 4.03Å; G152-W154 PolarHBondContact O-N 3.26Å; W154-E156 PolarHBondContact O-N 2.89Å; W154-L157 HydrophobicContact CD2-CB 3.73Å; W154-L157 HydrophobicContact CD2-CD2 4.44Å; W154-L157 HydrophobicContact CE3-CB 4.21Å; W154-L157 HydrophobicContact CE3-CD2 4.08Å; W154-L157 HydrophobicContact CG-CB 4.13Å; W154-L157 HydrophobicContact CH2-CB 4.28Å; W154-L157 HydrophobicContact CH2-CD1 4.29Å; W154-L157 HydrophobicContact CH2-CD2 4.1Å; W154-L157 HydrophobicContact CH2-CG 4.47Å; W154-L157 HydrophobicContact CZ2-CB 3.83Å; W154-L157 HydrophobicContact CZ2-CD1 4.23Å; W154-L157 HydrophobicContact CZ2-CD2 4.47Å; W154-L157 HydrophobicContact CZ2-CG 4.41Å; W154-L157 HydrophobicContact CZ3-CB 4.46Å; W154-L157 HydrophobicContact CZ3-CD2 3.89Å; W154-L157 VanDerWaalsContact O-CB 3.3Å; W154-L157 WeakPolarHBondContact O-CB 3.15Å; W154-L157 PolarHBondContact O-N 2.77Å; W154-L158 PolarHBondContact O-N 2.88Å
155E97.4Very high97.2Very high110 Ų11043.4 Ų43.451%0.51423%0.228SC..Hα-helixtrans-55.1-47.8-172.2-61.5-163.8-157.400114V149 L157 L158 D159 R228V149-E155 HydrophobicContact CG2-CG 4.27Å; E155-L157 VanDerWaalsContact C-N 3.28Å; E155-L157 PolarHBondContact O-N 3.1Å; E155-L158 PolarHBondContact O-N 3.44Å; E155-L158 VanDerWaalsContact O-N 3.09Å; E155-D159 WeakPolarHBondContact O-CB 3.48Å; E155-D159 VanDerWaalsContact O-CG 3.27Å; E155-D159 PolarHBondContact O-N 2.79Å; E155-R228 IonicContact OE2-CZ 3.55Å; E155-R228 IonicContact OE2-NE 3.55Å; E155-R228 IonicContact OE2-NH2 2.77Å; E155-R228 PolarHBondContact OE2-NH2 2.91Å
156E95.6Very high97.2Very high124 Ų12440.9 Ų40.958%0.57922%0.216SC*.Hα-helixtrans-62.4-34.1179.5-173-174.1-173.800112.5W154 T160W154-E156 PolarHBondContact O-N 2.89Å; E156-T160 WeakPolarHBondContact O-CB 3.47Å; E156-T160 PolarHBondContact O-N 2.86Å; E156-T160 PolarHBondContact O-OG1 3.07Å
157L95.6Very high97.2Very high0 Ų040.7 Ų40.70%022%0.215CC..Iπ-helixtrans-61.3-48.2173.2177.668.9000110.6I77 L81 Y153 W154 E155 F161 R162 P163I77-L157 HydrophobicContact CD1-CD1 4Å; I77-L157 HydrophobicContact CG2-CD1 3.64Å; L81-L157 HydrophobicContact CD2-CD1 4.32Å; L81-L157 HydrophobicContact CD2-CD2 3.94Å; Y153-L157 HydrophobicContact CD1-CD2 3.9Å; W154-L157 HydrophobicContact CD2-CB 3.73Å; W154-L157 HydrophobicContact CD2-CD2 4.44Å; W154-L157 HydrophobicContact CE3-CB 4.21Å; W154-L157 HydrophobicContact CE3-CD2 4.08Å; W154-L157 HydrophobicContact CG-CB 4.13Å; W154-L157 HydrophobicContact CH2-CB 4.28Å; W154-L157 HydrophobicContact CH2-CD1 4.29Å; W154-L157 HydrophobicContact CH2-CD2 4.1Å; W154-L157 HydrophobicContact CH2-CG 4.47Å; W154-L157 HydrophobicContact CZ2-CB 3.83Å; W154-L157 HydrophobicContact CZ2-CD1 4.23Å; W154-L157 HydrophobicContact CZ2-CD2 4.47Å; W154-L157 HydrophobicContact CZ2-CG 4.41Å; W154-L157 HydrophobicContact CZ3-CB 4.46Å; W154-L157 HydrophobicContact CZ3-CD2 3.89Å; W154-L157 VanDerWaalsContact O-CB 3.3Å; W154-L157 WeakPolarHBondContact O-CB 3.15Å; W154-L157 PolarHBondContact O-N 2.77Å; E155-L157 VanDerWaalsContact C-N 3.28Å; E155-L157 PolarHBondContact O-N 3.1Å; L157-F161 HydrophobicContact CD1-CB 4.12Å; L157-F161 HydrophobicContact CD1-CD2 4.25Å; L157-F161 HydrophobicContact CD1-CG 4.37Å; L157-F161 WeakPolarHBondContact O-CB 3.17Å; L157-F161 PolarHBondContact O-N 3.42Å; L157-F161 VanDerWaalsContact O-N 3.15Å; L157-R162 PolarHBondContact O-N 3.07Å; L157-P163 HydrophobicContact CG-CG 4.29Å; L157-P163 WeakPolarHBondContact O-CD 3.39Å
158L97.7Very high97.2Very high0 Ų041.3 Ų41.30%022%0.215CC..Iπ-helixtrans-69.8-36.2-177.7-62.6174.5000112.1L148 Y153 W154 E155 R162 V227L148-L158 HydrophobicContact CB-CD1 3.78Å; L148-L158 HydrophobicContact CD1-CD1 4.07Å; L148-L158 HydrophobicContact CD1-CD2 4.07Å; Y153-L158 WeakPolarHBondContact O-CD1 3.35Å; W154-L158 PolarHBondContact O-N 2.88Å; E155-L158 PolarHBondContact O-N 3.44Å; E155-L158 VanDerWaalsContact O-N 3.09Å; L158-R162 WeakPolarHBondContact O-CG 3.42Å; L158-V227 WeakPolarHBondContact CD1-O 3.42Å
159D97.7Very high97.2Very high32 Ų3241.3 Ų41.317%0.17122%0.215CC..Iπ-helixtrans-87.5-35.5-174.4-64.9-20.9000113.1E155 R225 G226 R228E155-D159 WeakPolarHBondContact O-CB 3.48Å; E155-D159 VanDerWaalsContact O-CG 3.27Å; E155-D159 PolarHBondContact O-N 2.79Å; D159-R225 HydrophobicContact CB-CB 4.39Å; D159-R225 WeakPolarHBondContact O-CD 3.5Å; D159-R225 WeakPolarHBondContact O-CG 3.43Å; D159-R225 PolarHBondContact O-NE 2.74Å; D159-G226 WeakPolarHBondContact OD1-CA 3.45Å; D159-G226 PolarHBondContact OD1-N 2.83Å; D159-R228 IonicContact OD1-CZ 3.72Å; D159-R228 IonicContact OD1-NH1 2.85Å; D159-R228 PolarHBondContact OD1-NH1 2.96Å; D159-R228 IonicContact OD1-NH2 3.65Å; D159-R228 IonicContact OD2-CZ 3.59Å; D159-R228 IonicContact OD2-NH1 3.46Å; D159-R228 PolarHBondContact OD2-NH1 2.8Å; D159-R228 IonicContact OD2-NH2 2.79Å; D159-R228 PolarHBondContact OD2-NH2 3.5Å
160T95Very high97.3Very high76 Ų7640.3 Ų40.347%0.46621%0.205SC..Iπ-helixtrans-92.8-56-176.8-580000111.2E156E156-T160 WeakPolarHBondContact O-CB 3.47Å; E156-T160 PolarHBondContact O-N 2.86Å; E156-T160 PolarHBondContact O-OG1 3.07Å
161F94.1Very high97.3Very high71 Ų7137 Ų3731%0.31118%0.176SC..Iπ-helixtrans-84.5-30.4-172.4-62.5-88.1000112.4D74 I77 L157 K260D74-F161 HydrophobicContact CB-CE1 4.46Å; I77-F161 HydrophobicContact CB-CD1 4.44Å; I77-F161 HydrophobicContact CB-CE1 4.5Å; I77-F161 HydrophobicContact CD1-CD1 4.36Å; I77-F161 HydrophobicContact CD1-CD2 3.89Å; I77-F161 HydrophobicContact CD1-CE1 4.11Å; I77-F161 HydrophobicContact CD1-CE2 3.57Å; I77-F161 HydrophobicContact CD1-CG 4.25Å; I77-F161 HydrophobicContact CD1-CZ 3.69Å; I77-F161 HydrophobicContact CG1-CD1 3.85Å; I77-F161 HydrophobicContact CG1-CD2 4.28Å; I77-F161 HydrophobicContact CG1-CE1 3.54Å; I77-F161 HydrophobicContact CG1-CE2 3.99Å; I77-F161 HydrophobicContact CG1-CG 4.21Å; I77-F161 HydrophobicContact CG1-CZ 3.59Å; I77-F161 HydrophobicContact CG2-CB 4.43Å; I77-F161 HydrophobicContact CG2-CD1 4.15Å; I77-F161 HydrophobicContact CG2-CG 4.2Å; L157-F161 HydrophobicContact CD1-CB 4.12Å; L157-F161 HydrophobicContact CD1-CD2 4.25Å; L157-F161 HydrophobicContact CD1-CG 4.37Å; L157-F161 WeakPolarHBondContact O-CB 3.17Å; L157-F161 PolarHBondContact O-N 3.42Å; L157-F161 VanDerWaalsContact O-N 3.15Å; F161-K260 VanDerWaalsContact O-CE 3.25Å; F161-K260 WeakPolarHBondContact O-CE 3.4Å; F161-K260 PolarHBondContact O-NZ 2.86Å
162R96.4Very high97.3Very high68 Ų6834.3 Ų34.326%0.25716%0.163SC..  trans48.157.4177.2-65.3178.9-74.41604111.6L157 L158 D222 Y223 K260L157-R162 PolarHBondContact O-N 3.07Å; L158-R162 WeakPolarHBondContact O-CG 3.42Å; R162-D222 PolarHBondContact NH1-O 2.74Å; R162-Y223 VanDerWaalsContact C-OH 3.24Å; R162-Y223 WeakPolarHBondContact CA-OH 3.25Å; R162-Y223 HydrophobicContact CB-CD2 4.35Å; R162-Y223 HydrophobicContact CB-CE1 4.5Å; R162-Y223 HydrophobicContact CB-CE2 3.91Å; R162-Y223 WeakPolarHBondContact CD-O 3.44Å; R162-Y223 HydrophobicContact CG-CD2 4.26Å; R162-Y223 HydrophobicContact CG-CE2 3.97Å; R162-Y223 PolarHBondContact NH1-O 3.39Å; R162-K260 WeakPolarHBondContact O-CE 3.31Å
163P96.7Very high97.4Very high3 Ų333.7 Ų33.72%0.01916%0.157CC..  trans-56.7148.6-177.927.1-37.4000111.4L81 L157 I165 Y223 V257 S258L81-P163 HydrophobicContact CD1-CB 3.78Å; L81-P163 HydrophobicContact CD2-CB 3.77Å; L81-P163 HydrophobicContact CD2-CG 3.97Å; L81-P163 HydrophobicContact CG-CB 4.46Å; L157-P163 HydrophobicContact CG-CG 4.29Å; L157-P163 WeakPolarHBondContact O-CD 3.39Å; P163-I165 PolarHBondContact O-N 3.41Å; P163-Y223 VanDerWaalsContact CD-OH 3.24Å; P163-Y223 WeakPolarHBondContact CD-OH 3.29Å; P163-Y223 WeakPolarHBondContact O-CE1 3.43Å; P163-Y223 VanDerWaalsContact O-CZ 3.3Å; P163-Y223 PolarHBondContact O-OH 2.67Å; P163-V257 HydrophobicContact CB-CG1 3.71Å; P163-V257 HydrophobicContact CG-CG1 3.48Å; P163-V257 VanDerWaalsContact CG-CG1 3.48Å; P163-S258 CarbonylContact C-O 3.6Å; P163-S258 VanDerWaalsContact CB-O 3.3Å; P163-S258 WeakPolarHBondContact CB-O 3.48Å
164D97.8Very high97.4Very high13 Ų1334.8 Ų34.87%0.0716%0.161CC..EExtended strand (participates in β ladder)trans-58.6129-179.9-78.7-13.5000110.8T219 S221 V257 S258 K260 R261D164-T219 HydrophobicContact CB-CG2 3.72Å; D164-S221 VanDerWaalsContact OD1-CB 3.29Å; D164-S221 WeakPolarHBondContact OD1-CB 3.43Å; D164-S221 PolarHBondContact OD1-OG 3.33Å; D164-V257 CarbonylContact O-C 3.57Å; D164-V257 WeakPolarHBondContact O-CA 3.18Å; D164-S258 PolarHBondContact N-O 3.01Å; D164-S258 PolarHBondContact O-N 3.23Å; D164-S258 PolarHBondContact O-OG 3.16Å; D164-K260 WeakPolarHBondContact OD2-CA 3.38Å; D164-R261 PolarHBondContact OD2-N 2.91Å
165I98.6Very high97.5Very high0 Ų032.9 Ų32.90%016%0.16CC..EExtended strand (participates in β ladder)trans-102.8109.5172.9-60.4168000107.3L148 P163 L187 T219 F220 Y223 I230 I255 V257L148-I165 HydrophobicContact CD1-CD1 4.47Å; P163-I165 PolarHBondContact O-N 3.41Å; I165-L187 HydrophobicContact CD1-CD1 4.05Å; I165-L187 HydrophobicContact CD1-CD2 3.82Å; I165-L187 HydrophobicContact CG2-CD2 4.5Å; I165-T219 CarbonylContact O-C 3.47Å; I165-T219 WeakPolarHBondContact O-CA 3.39Å; I165-F220 HydrophobicContact CB-CB 4.26Å; I165-F220 HydrophobicContact CG2-CD2 4.48Å; I165-F220 PolarHBondContact N-O 3.36Å; I165-F220 PolarHBondContact O-N 2.87Å; I165-Y223 HydrophobicContact CD1-CD1 4.25Å; I165-Y223 HydrophobicContact CD1-CE1 3.61Å; I165-Y223 HydrophobicContact CD1-CE2 4.46Å; I165-Y223 HydrophobicContact CG1-CE1 3.8Å; I165-I230 HydrophobicContact CD1-CD1 4.18Å; I165-I230 HydrophobicContact CG2-CD1 3.6Å; I165-I255 HydrophobicContact CG2-CG2 4.11Å; I165-V257 HydrophobicContact CG1-CG2 4.37Å
166V98.6Very high97.5Very high29 Ų2928.7 Ų28.718%0.17614%0.141CC..EExtended strand (participates in β ladder)trans-97.7124.1-178-1730000109.1K168 T219 I255 V256V166-K168 HydrophobicContact CG1-CG 4.49Å; V166-T219 HydrophobicContact CG2-CG2 4.1Å; V166-I255 CarbonylContact O-C 3.57Å; V166-I255 WeakPolarHBondContact O-CA 3.4Å; V166-V256 PolarHBondContact N-O 2.82Å; V166-V256 PolarHBondContact O-N 3.33Å
167V98.6Very high97.5Very high1 Ų122.8 Ų22.81%0.00611%0.113CC..EExtended strand (participates in β ladder)trans-112132.8177.8178.40000108V185 S217 Y218 F220 F232 S254 I255V167-V185 HydrophobicContact CG1-CG2 3.79Å; V167-V185 HydrophobicContact CG2-CG1 3.99Å; V167-S217 CarbonylContact O-C 3.55Å; V167-S217 WeakPolarHBondContact O-CA 3.41Å; V167-Y218 PolarHBondContact N-O 3.07Å; V167-Y218 PolarHBondContact O-N 3.2Å; V167-F220 HydrophobicContact CG2-CD2 4.26Å; V167-F220 HydrophobicContact CG2-CE2 4Å; V167-F232 HydrophobicContact CG1-CD2 4.11Å; V167-F232 HydrophobicContact CG1-CE2 3.88Å; V167-S254 CarbonylContact C-O 3.6Å; V167-S254 WeakPolarHBondContact CA-O 3.45Å; V167-I255 HydrophobicContact CG2-CG1 4.38Å
168K98.8Very high97.6Very high66 Ų6622.8 Ų22.829%0.28711%0.113SC..EExtended strand (participates in β ladder)trans-133.6148.3169.7-65.3170.1159.3-1190110.6V166 E215 V216 S253 S254V166-K168 HydrophobicContact CG1-CG 4.49Å; K168-E215 WeakPolarHBondContact CD-OE1 3.5Å; K168-E215 IonicContact NZ-OE1 2.76Å; K168-E215 PolarHBondContact NZ-OE1 3.35Å; K168-E215 IonicContact NZ-OE2 3.6Å; K168-E215 PolarHBondContact NZ-OE2 3.05Å; K168-V216 CarbonylContact C-O 3.57Å; K168-V216 VanDerWaalsContact CA-O 3.25Å; K168-V216 WeakPolarHBondContact CA-O 3.49Å; K168-S253 CarbonylContact O-C 3.5Å; K168-S253 WeakPolarHBondContact O-CA 3.41Å; K168-S254 PolarHBondContact N-O 3.18Å; K168-S254 PolarHBondContact O-N 2.79Å
169D98.9Very high97.6Very high0 Ų022.8 Ų22.80%011%0.113CC..EExtended strand (participates in β ladder)trans-146.6157.8167.4-162.629.9000110.4Y181 L183 E215 V216 F232 H234 S253D169-Y181 PolarHBondContact OD2-OH 3.4Å; D169-L183 HydrophobicContact CB-CD2 4.49Å; D169-E215 WeakPolarHBondContact O-CA 3.43Å; D169-V216 HydrophobicContact CB-CG1 3.71Å; D169-V216 PolarHBondContact N-O 3.29Å; D169-V216 WeakPolarHBondContact O-CG1 3.34Å; D169-V216 PolarHBondContact O-N 3.04Å; D169-F232 HydrophobicContact CB-CE2 4.49Å; D169-F232 HydrophobicContact CB-CZ 4.02Å; D169-H234 IonicContact OD1-CE1 2.65Å; D169-H234 IonicContact OD1-ND1 3.66Å; D169-H234 IonicContact OD2-CE1 2.92Å; D169-H234 IonicContact OD2-CG 2.9Å; D169-H234 IonicContact OD2-ND1 3.91Å; D169-H234 PolarHBondContact OD2-ND1 3.18Å; D169-S253 WeakPolarHBondContact OD1-CA 3.06Å; D169-S253 VanDerWaalsContact OD1-CB 3.28Å; D169-S253 WeakPolarHBondContact OD1-CB 3.47Å; D169-S253 PolarHBondContact OD1-OG 2.97Å
170W98.8Very high97.6Very high39 Ų3922.9 Ų22.915%0.14812%0.115CC..EExtended strand (participates in β ladder)trans-125.3135176.5-68.875.3000110.5F124 P125 W213 T214 E215 V250 T251 N252F124-W170 HydrophobicContact CE2-CB 3.81Å; F124-W170 AromaticContact CE2-CD2 3.61Å; F124-W170 HydrophobicContact CE2-CD2 3.61Å; F124-W170 AromaticContact CE2-CE3 3.67Å; F124-W170 HydrophobicContact CE2-CE3 3.67Å; F124-W170 AromaticContact CE2-CG 3.7Å; F124-W170 HydrophobicContact CE2-CG 3.7Å; F124-W170 HydrophobicContact CE2-CZ3 4.4Å; F124-W170 HydrophobicContact CZ-CB 4.25Å; F124-W170 AromaticContact CZ-CD2 3.54Å; F124-W170 HydrophobicContact CZ-CD2 3.54Å; F124-W170 AromaticContact CZ-CE2 3.8Å; F124-W170 AromaticContact CZ-CE3 3.93Å; F124-W170 HydrophobicContact CZ-CE3 3.93Å; F124-W170 AromaticContact CZ-CG 3.7Å; F124-W170 HydrophobicContact CZ-CG 3.7Å; F124-W170 HydrophobicContact CZ-CZ2 4.36Å; F124-W170 HydrophobicContact CZ-CZ3 4.47Å; P125-W170 HydrophobicContact CG-CH2 4.32Å; P125-W170 HydrophobicContact CG-CZ3 4.12Å; W170-W213 HydrophobicContact CB-CE3 4.27Å; W170-W213 HydrophobicContact CE3-CB 3.96Å; W170-W213 HydrophobicContact CZ3-CB 4.25Å; W170-T214 WeakPolarHBondContact CA-O 3.34Å; W170-E215 HydrophobicContact CD2-CB 3.83Å; W170-E215 HydrophobicContact CD2-CG 4.19Å; W170-E215 HydrophobicContact CE3-CB 3.95Å; W170-E215 HydrophobicContact CH2-CB 3.76Å; W170-E215 HydrophobicContact CH2-CG 4.49Å; W170-E215 HydrophobicContact CZ2-CB 3.58Å; W170-E215 HydrophobicContact CZ2-CG 3.81Å; W170-E215 HydrophobicContact CZ3-CB 3.93Å; W170-E215 PolarHBondContact NE1-OE1 2.79Å; W170-V250 VanDerWaalsContact O-CA 3.24Å; W170-V250 WeakPolarHBondContact O-CA 3.5Å; W170-T251 WeakPolarHBondContact CB-O 3.4Å; W170-T251 PolarHBondContact N-O 3.26Å; W170-T251 PolarHBondContact O-N 3.15Å; W170-T251 VanDerWaalsContact O-N 3.11Å; W170-N252 HydrophobicContact CG-CB 4.47Å
171F98.7Very high97.8Very high7 Ų719.5 Ų19.53%0.0319%0.094CC..EExtended strand (participates in β ladder)trans-136.2154.3176.771.9-77.2000112.7Y181 V203 I205 T214 R249 V250F171-Y181 HydrophobicContact CB-CD1 4.38Å; F171-Y181 HydrophobicContact CB-CD2 3.72Å; F171-Y181 HydrophobicContact CB-CE2 3.9Å; F171-Y181 HydrophobicContact CB-CG 3.96Å; F171-Y181 AromaticContact CD1-CD1 3.69Å; F171-Y181 HydrophobicContact CD1-CD1 3.69Å; F171-Y181 HydrophobicContact CD1-CD2 4.48Å; F171-Y181 AromaticContact CD1-CE1 3.59Å; F171-Y181 HydrophobicContact CD1-CE1 3.59Å; F171-Y181 HydrophobicContact CD1-CE2 4.4Å; F171-Y181 HydrophobicContact CD1-CG 4.13Å; F171-Y181 AromaticContact CD1-CZ 3.95Å; F171-Y181 AromaticContact CD2-CD1 3.83Å; F171-Y181 HydrophobicContact CD2-CD1 3.83Å; F171-Y181 HydrophobicContact CD2-CD2 4.32Å; F171-Y181 AromaticContact CD2-CG 3.68Å; F171-Y181 HydrophobicContact CD2-CG 3.68Å; F171-Y181 AromaticContact CE1-CD1 3.84Å; F171-Y181 HydrophobicContact CE1-CD1 3.84Å; F171-Y181 AromaticContact CE1-CE1 3.85Å; F171-Y181 HydrophobicContact CE1-CE1 3.85Å; F171-Y181 AromaticContact CE2-CD1 3.95Å; F171-Y181 HydrophobicContact CE2-CD1 3.95Å; F171-Y181 HydrophobicContact CE2-CG 4.17Å; F171-Y181 AromaticContact CG-CD1 3.69Å; F171-Y181 HydrophobicContact CG-CD1 3.69Å; F171-Y181 AromaticContact CG-CD2 3.94Å; F171-Y181 HydrophobicContact CG-CD2 3.94Å; F171-Y181 AromaticContact CG-CE1 3.98Å; F171-Y181 HydrophobicContact CG-CE1 3.98Å; F171-Y181 HydrophobicContact CG-CE2 4.21Å; F171-Y181 AromaticContact CG-CG 3.65Å; F171-Y181 HydrophobicContact CG-CG 3.65Å; F171-Y181 AromaticContact CZ-CD1 3.98Å; F171-Y181 HydrophobicContact CZ-CD1 3.98Å; F171-Y181 HydrophobicContact CZ-CE1 4.43Å; F171-V203 HydrophobicContact CE2-CB 4.23Å; F171-V203 HydrophobicContact CE2-CG1 3.96Å; F171-V203 HydrophobicContact CZ-CB 4.17Å; F171-V203 HydrophobicContact CZ-CG1 3.92Å; F171-V203 HydrophobicContact CZ-CG2 4.39Å; F171-I205 HydrophobicContact CD2-CD1 4.18Å; F171-I205 HydrophobicContact CE2-CD1 3.81Å; F171-T214 WeakPolarHBondContact CD1-O 3.49Å; F171-T214 HydrophobicContact CE1-CG2 3.78Å; F171-T214 HydrophobicContact CZ-CG2 3.92Å; F171-T214 PolarHBondContact N-O 2.8Å; F171-T214 PolarHBondContact O-N 2.86Å; F171-R249 CarbonylContact C-O 3.55Å; F171-R249 WeakPolarHBondContact CA-O 3.23Å; F171-R249 WeakPolarHBondContact CB-O 3.42Å; F171-V250 HydrophobicContact CB-CG1 4.02Å
172A98.6Very high98Very high1 Ų119 Ų191%0.0089%0.093CC..EExtended strand (participates in β ladder)trans-148.6151.5174.500000111.2W213 R249A172-W213 HydrophobicContact CB-CD2 3.61Å; A172-W213 HydrophobicContact CB-CE3 3.63Å; A172-W213 HydrophobicContact CB-CG 4.11Å; A172-W213 HydrophobicContact CB-CH2 4.22Å; A172-W213 HydrophobicContact CB-CZ2 4.18Å; A172-W213 HydrophobicContact CB-CZ3 3.96Å; A172-R249 PolarHBondContact N-O 3.48Å; A172-R249 WeakPolarHBondContact O-CB 3.02Å; A172-R249 PolarHBondContact O-N 2.85Å
173A97.8Very high98.2Very high0 Ų016.2 Ų16.20%08%0.083CC..  trans-91.3172.9166.700000110.9C179 I205A173-C179 VanDerWaalsContact CB-SG 3.57Å; A173-I205 HydrophobicContact CB-CB 3.97Å; A173-I205 HydrophobicContact CB-CD1 3.89Å; A173-I205 HydrophobicContact CB-CG2 3.73Å
174R97.9Very high98.3Very high24 Ų2418.7 Ų18.79%0.0919%0.093CC..BIsolated β-bridgetrans-81.6149.3158.2-69.3171.960.1143.1-2.7109.5H120 D176 C177 N209 Y246 R249H120-R174 HydrophobicContact CB-CB 4.35Å; H120-R174 PolarHBondContact CD2-NH2 2.9Å; R174-D176 VanDerWaalsContact C-N 3.25Å; R174-D176 WeakPolarHBondContact CB-OD1 3.46Å; R174-D176 IonicContact CZ-OD1 3.51Å; R174-D176 IonicContact CZ-OD2 3.69Å; R174-D176 IonicContact NE-OD1 2.82Å; R174-D176 PolarHBondContact NE-OD1 3.36Å; R174-D176 IonicContact NE-OD2 3.76Å; R174-D176 IonicContact NH2-OD1 3.33Å; R174-D176 PolarHBondContact NH2-OD1 3.09Å; R174-D176 IonicContact NH2-OD2 2.79Å; R174-D176 PolarHBondContact NH2-OD2 2.81Å; R174-D176 PolarHBondContact O-N 3.22Å; R174-C177 HydrophobicContact CB-CB 4.39Å; R174-C177 PolarHBondContact O-N 3.12Å; R174-N209 PolarHBondContact O-ND2 2.87Å; R174-N209 PolarHBondContact O-OD1 3.31Å; R174-Y246 VanDerWaalsContact NH2-CE1 3.26Å; R174-R249 VanDerWaalsContact CG-NH2 3.33Å
175A97.3Very high98.3Very high27 Ų2718.1 Ų18.122%0.2239%0.09CC..THydrogen-bonded Turntrans-63.9-33.8175.700000112H120 W208 N209 A211H120-A175 HydrophobicContact CB-CB 4.32Å; H120-A175 PolarHBondContact O-N 3.16Å; A175-W208 WeakPolarHBondContact O-CA 3.24Å; A175-W208 PolarHBondContact O-N 2.8Å; A175-N209 WeakPolarHBondContact CB-O 3.22Å; A175-N209 PolarHBondContact O-N 2.86Å; A175-A211 HydrophobicContact CB-CB 4.01Å
176D97.5Very high98.3Very high21 Ų2119.3 Ų19.311%0.11210%0.096CC..THydrogen-bonded Turntrans-90.63.4-17668.9-28.9000114.2H120 R174 Q207 W208 W242H120-D176 HydrophobicContact CB-CB 4.46Å; H120-D176 WeakPolarHBondContact CB-OD1 3.44Å; H120-D176 IonicContact CD2-OD1 3.77Å; H120-D176 IonicContact CD2-OD2 3.38Å; H120-D176 PolarHBondContact CD2-OD2 3.08Å; H120-D176 IonicContact CE1-OD2 3.78Å; H120-D176 IonicContact CG-OD1 3.51Å; H120-D176 IonicContact CG-OD2 3.66Å; H120-D176 IonicContact ND1-OD2 3.9Å; H120-D176 IonicContact NE2-OD2 3.5Å; R174-D176 VanDerWaalsContact C-N 3.25Å; R174-D176 WeakPolarHBondContact CB-OD1 3.46Å; R174-D176 IonicContact CZ-OD1 3.51Å; R174-D176 IonicContact CZ-OD2 3.69Å; R174-D176 IonicContact NE-OD1 2.82Å; R174-D176 PolarHBondContact NE-OD1 3.36Å; R174-D176 IonicContact NE-OD2 3.76Å; R174-D176 IonicContact NH2-OD1 3.33Å; R174-D176 PolarHBondContact NH2-OD1 3.09Å; R174-D176 IonicContact NH2-OD2 2.79Å; R174-D176 PolarHBondContact NH2-OD2 2.81Å; R174-D176 PolarHBondContact O-N 3.22Å; D176-Q207 WeakPolarHBondContact O-CG 3.28Å; D176-Q207 PolarHBondContact O-NE2 2.68Å; D176-W208 HydrophobicContact CB-CZ3 4.22Å; D176-W242 WeakPolarHBondContact O-CZ3 3.37Å
177C96.8Very high98.3Very high0 Ų018 Ų180%09%0.087CC..BIsolated β-bridgetrans-148.4140.8178.8-162.10000112.3R174 Q240 W242 Y246R174-C177 HydrophobicContact CB-CB 4.39Å; R174-C177 PolarHBondContact O-N 3.12Å; C177-Q240 WeakPolarHBondContact SG-CG 3.47Å; C177-W242 HydrophobicContact CB-CE3 4.42Å; C177-W242 HydrophobicContact CB-CZ3 4.31Å; C177-Y246 HydrophobicContact CB-CD1 3.8Å; C177-Y246 HydrophobicContact CB-CG 4.48Å
178G97.2Very high98.3Very high0 Ų018.2 Ų18.20%09%0.089CC..  trans-81.3154170.900000111.6I205 T239G178-I205 CarbonylContact C-O 3.47Å; G178-I205 WeakPolarHBondContact CA-O 3.49Å; G178-T239 WeakPolarHBondContact CA-OG1 3.45Å; G178-T239 PolarHBondContact O-N 2.76Å; G178-T239 PolarHBondContact O-OG1 3.33Å
179C98Very high98.3Very high0 Ų015.8 Ų15.80%08%0.08CC..EExtended strand (participates in β ladder)trans-152159.317977.20000111.9A173 T204 I205 S237A173-C179 VanDerWaalsContact CB-SG 3.57Å; C179-T204 WeakPolarHBondContact O-CA 3.47Å; C179-I205 PolarHBondContact N-O 3.2Å; C179-I205 PolarHBondContact O-N 3.36Å; C179-S237 WeakPolarHBondContact CA-O 3.27Å
180T98.6Very high98.3Very high34 Ų3418.4 Ų18.421%0.20910%0.102CC..EExtended strand (participates in β ladder)trans-115.1121.5173.9-59.90000109.6P202 V203 T204 G236 S237 P248T180-P202 HydrophobicContact CG2-CB 3.65Å; T180-V203 CarbonylContact C-O 3.59Å; T180-V203 WeakPolarHBondContact CA-O 3.43Å; T180-T204 PolarHBondContact OG1-OG1 3.44Å; T180-G236 WeakPolarHBondContact O-CA 3.24Å; T180-S237 PolarHBondContact N-O 2.85Å; T180-S237 PolarHBondContact O-N 3.37Å; T180-P248 WeakPolarHBondContact O-CG 3.47Å
181Y98.8Very high98.2Very high5 Ų522.4 Ų22.42%0.0213%0.126CC..EExtended strand (participates in β ladder)trans-99.5145.1174.5165-102.3000111D169 F171 L183 P202 V203 V216 H234 G235 V250D169-Y181 PolarHBondContact OD2-OH 3.4Å; F171-Y181 HydrophobicContact CB-CD1 4.38Å; F171-Y181 HydrophobicContact CB-CD2 3.72Å; F171-Y181 HydrophobicContact CB-CE2 3.9Å; F171-Y181 HydrophobicContact CB-CG 3.96Å; F171-Y181 AromaticContact CD1-CD1 3.69Å; F171-Y181 HydrophobicContact CD1-CD1 3.69Å; F171-Y181 HydrophobicContact CD1-CD2 4.48Å; F171-Y181 AromaticContact CD1-CE1 3.59Å; F171-Y181 HydrophobicContact CD1-CE1 3.59Å; F171-Y181 HydrophobicContact CD1-CE2 4.4Å; F171-Y181 HydrophobicContact CD1-CG 4.13Å; F171-Y181 AromaticContact CD1-CZ 3.95Å; F171-Y181 AromaticContact CD2-CD1 3.83Å; F171-Y181 HydrophobicContact CD2-CD1 3.83Å; F171-Y181 HydrophobicContact CD2-CD2 4.32Å; F171-Y181 AromaticContact CD2-CG 3.68Å; F171-Y181 HydrophobicContact CD2-CG 3.68Å; F171-Y181 AromaticContact CE1-CD1 3.84Å; F171-Y181 HydrophobicContact CE1-CD1 3.84Å; F171-Y181 AromaticContact CE1-CE1 3.85Å; F171-Y181 HydrophobicContact CE1-CE1 3.85Å; F171-Y181 AromaticContact CE2-CD1 3.95Å; F171-Y181 HydrophobicContact CE2-CD1 3.95Å; F171-Y181 HydrophobicContact CE2-CG 4.17Å; F171-Y181 AromaticContact CG-CD1 3.69Å; F171-Y181 HydrophobicContact CG-CD1 3.69Å; F171-Y181 AromaticContact CG-CD2 3.94Å; F171-Y181 HydrophobicContact CG-CD2 3.94Å; F171-Y181 AromaticContact CG-CE1 3.98Å; F171-Y181 HydrophobicContact CG-CE1 3.98Å; F171-Y181 HydrophobicContact CG-CE2 4.21Å; F171-Y181 AromaticContact CG-CG 3.65Å; F171-Y181 HydrophobicContact CG-CG 3.65Å; F171-Y181 AromaticContact CZ-CD1 3.98Å; F171-Y181 HydrophobicContact CZ-CD1 3.98Å; F171-Y181 HydrophobicContact CZ-CE1 4.43Å; Y181-L183 HydrophobicContact CE1-CB 4.1Å; Y181-L183 WeakPolarHBondContact OH-CB 3.03Å; Y181-P202 CarbonylContact O-C 3.6Å; Y181-P202 VanDerWaalsContact O-CA 3.28Å; Y181-P202 WeakPolarHBondContact O-CA 3.38Å; Y181-V203 HydrophobicContact CD1-CB 4.42Å; Y181-V203 PolarHBondContact N-O 3.44Å; Y181-V203 PolarHBondContact O-N 3.15Å; Y181-V216 HydrophobicContact CE1-CG1 4.42Å; Y181-H234 HydrophobicContact CE2-CB 4.23Å; Y181-G235 WeakPolarHBondContact CA-O 3.24Å; Y181-V250 HydrophobicContact CD2-CG1 3.88Å; Y181-V250 HydrophobicContact CE2-CG1 3.75Å
182Q98.6Very high98.2Very high62 Ų6228.4 Ų28.429%0.2915%0.15SC..EExtended strand (participates in β ladder)trans-139.9146.2173.861.1-173.7-6.800111.7L141 P202 H234 G235L141-Q182 HydrophobicContact CD2-CG 3.88Å; Q182-P202 HydrophobicContact CB-CB 4.48Å; Q182-H234 VanDerWaalsContact O-CA 3.25Å; Q182-H234 WeakPolarHBondContact O-CA 2.94Å; Q182-H234 WeakPolarHBondContact O-CB 3.28Å; Q182-G235 PolarHBondContact N-O 3.02Å; Q182-G235 PolarHBondContact O-N 2.87Å
183L98.8Very high98.2Very high9 Ų935.1 Ų35.15%0.04718%0.179CC..EExtended strand (participates in β ladder)trans-134.6139.3177.7178.163000109.6D169 Y181 V185 F198 P200 V216 F232 H234D169-L183 HydrophobicContact CB-CD2 4.49Å; Y181-L183 HydrophobicContact CE1-CB 4.1Å; Y181-L183 WeakPolarHBondContact OH-CB 3.03Å; L183-V185 HydrophobicContact CD1-CG2 3.95Å; L183-V185 HydrophobicContact CG-CG2 4.24Å; L183-F198 HydrophobicContact CD2-CD1 4.35Å; L183-F198 HydrophobicContact CD2-CE1 3.89Å; L183-P200 HydrophobicContact CB-CG 4.35Å; L183-P200 WeakPolarHBondContact O-CD 3.46Å; L183-V216 HydrophobicContact CD2-CG1 3.66Å; L183-V216 HydrophobicContact CD2-CG2 4.22Å; L183-F232 HydrophobicContact CD1-CD2 4.37Å; L183-F232 HydrophobicContact CD1-CE1 4.26Å; L183-F232 HydrophobicContact CD1-CE2 3.76Å; L183-F232 HydrophobicContact CD1-CZ 3.69Å; L183-H234 HydrophobicContact CD1-CB 3.92Å
184K98.8Very high98.2Very high55 Ų5538.6 Ų38.624%0.23920%0.2CC..EExtended strand (participates in β ladder)trans-139.8122.6174.8166.9165.1-173.4138.10109.3Q186 E199 Q233K184-Q186 HydrophobicContact CG-CG 4.2Å; K184-E199 HydrophobicContact CB-CG 4.08Å; K184-E199 HydrophobicContact CD-CG 4.18Å; K184-E199 WeakPolarHBondContact CD-OE2 3.45Å; K184-E199 WeakPolarHBondContact CE-OE1 3.42Å; K184-E199 HydrophobicContact CG-CG 3.77Å; K184-E199 IonicContact NZ-OE1 3.5Å; K184-E199 PolarHBondContact NZ-OE1 3Å; K184-E199 IonicContact NZ-OE2 2.67Å; K184-E199 PolarHBondContact NZ-OE2 3.3Å; K184-Q233 HydrophobicContact CB-CB 4.39Å; K184-Q233 PolarHBondContact N-O 2.74Å; K184-Q233 PolarHBondContact O-N 3.11Å
185V98.9Very high98.2Very high0 Ų040.1 Ų40.10%021%0.209CC..EExtended strand (participates in β ladder)trans-127.9128.1173.3-173.10000110.6V167 L183 S197 F198 F220 I230 L231 F232V167-V185 HydrophobicContact CG1-CG2 3.79Å; V167-V185 HydrophobicContact CG2-CG1 3.99Å; L183-V185 HydrophobicContact CD1-CG2 3.95Å; L183-V185 HydrophobicContact CG-CG2 4.24Å; V185-S197 CarbonylContact O-C 3.47Å; V185-S197 WeakPolarHBondContact O-CA 3.49Å; V185-F198 PolarHBondContact N-O 3.07Å; V185-F198 PolarHBondContact O-N 3.29Å; V185-F220 HydrophobicContact CB-CE2 4.36Å; V185-F220 HydrophobicContact CB-CZ 4.43Å; V185-F220 HydrophobicContact CG1-CE2 3.94Å; V185-F220 HydrophobicContact CG1-CZ 4.31Å; V185-I230 HydrophobicContact CG1-CG2 3.62Å; V185-L231 CarbonylContact C-O 3.55Å; V185-L231 VanDerWaalsContact CA-O 3.24Å; V185-L231 WeakPolarHBondContact CA-O 3.26Å; V185-F232 HydrophobicContact CG2-CD2 3.63Å; V185-F232 HydrophobicContact CG2-CE2 4.14Å; V185-F232 HydrophobicContact CG2-CG 4.33Å
186Q98.9Very high98.3Very high26 Ų2640 Ų4012%0.12121%0.208CC..EExtended strand (participates in β ladder)trans-127130.1-177.5-59.7-172-44.100110.9K184 T188 V194 A196 E199 I230 L231K184-Q186 HydrophobicContact CG-CG 4.2Å; Q186-T188 HydrophobicContact CB-CG2 4.2Å; Q186-V194 HydrophobicContact CB-CG1 4.29Å; Q186-V194 HydrophobicContact CG-CG1 4.37Å; Q186-A196 WeakPolarHBondContact CA-O 3.46Å; Q186-E199 PolarHBondContact NE2-OE1 3.18Å; Q186-I230 CarbonylContact O-C 3.59Å; Q186-I230 WeakPolarHBondContact O-CA 3.39Å; Q186-L231 HydrophobicContact CB-CB 4.38Å; Q186-L231 PolarHBondContact N-O 2.84Å; Q186-L231 PolarHBondContact O-N 3.16Å
187L98.9Very high98.3Very high0 Ų042 Ų420%022%0.224CC..EExtended strand (participates in β ladder)trans-87.5125.6165.7-53.9-172.2000108I165 L195 A196 F220 Y223 V227 I230I165-L187 HydrophobicContact CD1-CD1 4.05Å; I165-L187 HydrophobicContact CD1-CD2 3.82Å; I165-L187 HydrophobicContact CG2-CD2 4.5Å; L187-L195 PolarHBondContact O-N 2.91Å; L187-A196 HydrophobicContact CB-CB 4.26Å; L187-A196 HydrophobicContact CD1-CB 4.22Å; L187-A196 HydrophobicContact CG-CB 4.34Å; L187-A196 PolarHBondContact N-O 2.55Å; L187-A196 PolarHBondContact O-N 2.99Å; L187-F220 HydrophobicContact CD1-CB 3.75Å; L187-F220 HydrophobicContact CD1-CD1 3.64Å; L187-F220 HydrophobicContact CD1-CD2 4.26Å; L187-F220 HydrophobicContact CD1-CE1 4.29Å; L187-F220 HydrophobicContact CD1-CG 3.63Å; L187-F220 HydrophobicContact CD2-CD2 4.15Å; L187-F220 HydrophobicContact CD2-CE2 4.29Å; L187-F220 HydrophobicContact CD2-CG 4.34Å; L187-F220 HydrophobicContact CG-CD1 3.9Å; L187-F220 HydrophobicContact CG-CD2 4.25Å; L187-F220 HydrophobicContact CG-CE1 4.05Å; L187-F220 HydrophobicContact CG-CE2 4.37Å; L187-F220 HydrophobicContact CG-CG 4.02Å; L187-F220 HydrophobicContact CG-CZ 4.28Å; L187-Y223 HydrophobicContact CD1-CD1 3.92Å; L187-Y223 HydrophobicContact CD1-CD2 4.4Å; L187-Y223 HydrophobicContact CD1-CG 3.77Å; L187-V227 HydrophobicContact CB-CG1 4.02Å; L187-V227 HydrophobicContact CB-CG2 3.89Å; L187-V227 HydrophobicContact CD1-CG1 4.49Å; L187-V227 HydrophobicContact CD1-CG2 4.2Å; L187-V227 HydrophobicContact CD2-CG1 4.47Å; L187-I230 HydrophobicContact CD2-CB 4.42Å; L187-I230 HydrophobicContact CD2-CD1 4.26Å; L187-I230 HydrophobicContact CD2-CG1 3.74Å; L187-I230 HydrophobicContact CD2-CG2 4.12Å
188T98.8Very high98.4Very high7 Ų743 Ų434%0.04323%0.228CC..EExtended strand (participates in β ladder)trans-126.9154.1-175.468.80000112.3Q186 F193 V194 R228 Y229Q186-T188 HydrophobicContact CB-CG2 4.2Å; T188-F193 CarbonylContact C-O 3.59Å; T188-F193 WeakPolarHBondContact CA-O 3.4Å; T188-F193 WeakPolarHBondContact CB-O 3.47Å; T188-V194 HydrophobicContact CG2-CG2 4.24Å; T188-R228 PolarHBondContact O-N 3.28Å; T188-Y229 PolarHBondContact N-O 3.2Å; T188-Y229 PolarHBondContact O-N 2.99Å; T188-Y229 VanDerWaalsContact O-N 3.13Å; T188-Y229 WeakPolarHBondContact OG1-CB 3.27Å
189S98.6Very high98.4Very high15 Ų1547.3 Ų47.311%0.10525%0.248CC..  trans-73.8176.5175.766.70000113.1D191 Y192 F193 G226 Y229S189-D191 PolarHBondContact O-N 3.36Å; S189-D191 PolarHBondContact OG-N 3.01Å; S189-Y192 PolarHBondContact O-N 2.9Å; S189-F193 PolarHBondContact N-O 3.44Å; S189-F193 WeakPolarHBondContact OG-CB 3.47Å; S189-F193 PolarHBondContact OG-N 2.94Å; S189-F193 VanDerWaalsContact OG-N 3.13Å; S189-F193 PolarHBondContact OG-O 2.88Å; S189-G226 VanDerWaalsContact CA-O 3.28Å; S189-G226 WeakPolarHBondContact CA-O 3.18Å; S189-Y229 WeakPolarHBondContact O-CD2 3.29Å
190A98Very high98.4Very high55 Ų5548.8 Ų48.846%0.45526%0.258SS..THydrogen-bonded Turntrans-55.6-34173.200000112.8Y192 R228A190-Y192 VanDerWaalsContact C-N 3.28Å; A190-Y192 PolarHBondContact O-N 2.92Å; A190-R228 HydrophobicContact CB-CG 4.02Å
191D97.8Very high98.3Very high122 Ų12252.3 Ų52.365%0.65228%0.282SS*.THydrogen-bonded Turntrans-91.315.6178.3-56.1-53.5000112.6S189 F193S189-D191 PolarHBondContact O-N 3.36Å; S189-D191 PolarHBondContact OG-N 3.01Å; D191-F193 HydrophobicContact CB-CD2 3.75Å; D191-F193 HydrophobicContact CB-CE2 3.65Å; D191-F193 PolarHBondContact O-N 3.18Å; D191-F193 VanDerWaalsContact O-N 3.17Å
192Y97.3Very high98.2Very high134 Ų13455.8 Ų55.853%0.52531%0.305SS..  trans63.413.3-179.8-52.6-72.9000116.1L145 S189 A190 V194 Y229L145-Y192 HydrophobicContact CD2-CE1 3.97Å; S189-Y192 PolarHBondContact O-N 2.9Å; A190-Y192 VanDerWaalsContact C-N 3.28Å; A190-Y192 PolarHBondContact O-N 2.92Å; Y192-V194 PolarHBondContact O-N 3.33Å; Y192-Y229 AromaticContact CD1-CD2 3.86Å; Y192-Y229 HydrophobicContact CD1-CD2 3.86Å; Y192-Y229 HydrophobicContact CD1-CE2 4.14Å; Y192-Y229 HydrophobicContact CD1-CG 4.43Å; Y192-Y229 HydrophobicContact CE1-CD1 4.31Å; Y192-Y229 AromaticContact CE1-CD2 3.54Å; Y192-Y229 HydrophobicContact CE1-CD2 3.54Å; Y192-Y229 HydrophobicContact CE1-CE1 4.32Å; Y192-Y229 AromaticContact CE1-CE2 3.52Å; Y192-Y229 HydrophobicContact CE1-CE2 3.52Å; Y192-Y229 AromaticContact CE1-CG 3.97Å; Y192-Y229 HydrophobicContact CE1-CG 3.97Å; Y192-Y229 AromaticContact CE1-CZ 3.96Å; Y192-Y229 AromaticContact CZ-CE2 3.94Å
193F98.3Very high98.2Very high142 Ų14255.3 Ų55.362%0.62331%0.306SS*.  trans-65.6133.1168.3-61.8-65.9000111T188 S189 D191 L195T188-F193 CarbonylContact C-O 3.59Å; T188-F193 WeakPolarHBondContact CA-O 3.4Å; T188-F193 WeakPolarHBondContact CB-O 3.47Å; S189-F193 PolarHBondContact N-O 3.44Å; S189-F193 WeakPolarHBondContact OG-CB 3.47Å; S189-F193 PolarHBondContact OG-N 2.94Å; S189-F193 VanDerWaalsContact OG-N 3.13Å; S189-F193 PolarHBondContact OG-O 2.88Å; D191-F193 HydrophobicContact CB-CD2 3.75Å; D191-F193 HydrophobicContact CB-CE2 3.65Å; D191-F193 PolarHBondContact O-N 3.18Å; D191-F193 VanDerWaalsContact O-N 3.17Å; F193-L195 PolarHBondContact O-N 3.36Å
194V98.6Very high98.2Very high72 Ų7258.2 Ų58.244%0.43632%0.324SS..EExtended strand (participates in β ladder)trans-70.2120.1176.6-178.40000109.8Q186 T188 Y192Q186-V194 HydrophobicContact CB-CG1 4.29Å; Q186-V194 HydrophobicContact CG-CG1 4.37Å; T188-V194 HydrophobicContact CG2-CG2 4.24Å; Y192-V194 PolarHBondContact O-N 3.33Å
195L98.7Very high98.1Very high57 Ų5757.1 Ų57.130%0.29832%0.321SS..EExtended strand (participates in β ladder)trans-100-32.9178.8-61.1178.5000111.9L187 F193 P224 V227L187-L195 PolarHBondContact O-N 2.91Å; F193-L195 PolarHBondContact O-N 3.36Å; L195-P224 HydrophobicContact CB-CB 4.35Å; L195-P224 HydrophobicContact CB-CG 4.39Å; L195-V227 HydrophobicContact CB-CG2 4.4Å; L195-V227 HydrophobicContact CD1-CB 4.48Å; L195-V227 HydrophobicContact CD1-CG2 3.76Å
196A98.5Very high98Very high23 Ų2363.2 Ų63.219%0.1935%0.349CS..EExtended strand (participates in β ladder)trans-152.5151.6173.600000109.8Q186 L187 F220Q186-A196 WeakPolarHBondContact CA-O 3.46Å; L187-A196 HydrophobicContact CB-CB 4.26Å; L187-A196 HydrophobicContact CD1-CB 4.22Å; L187-A196 HydrophobicContact CG-CB 4.34Å; L187-A196 PolarHBondContact N-O 2.55Å; L187-A196 PolarHBondContact O-N 2.99Å; A196-F220 HydrophobicContact CB-CD1 4.06Å; A196-F220 HydrophobicContact CB-CE1 4.04Å
197S98.4Very high97.9Very high64 Ų6464.5 Ų64.545%0.44836%0.355SS..EExtended strand (participates in β ladder)trans-141.2144-179.8590000111.8V185V185-S197 CarbonylContact O-C 3.47Å; V185-S197 WeakPolarHBondContact O-CA 3.49Å
198F98.4Very high97.7Very high20 Ų2073.9 Ų73.99%0.08839%0.391CS..EExtended strand (participates in β ladder)trans-120107.4166.1174.4-115.4000108L183 V185 P200 V216 Y218 F220L183-F198 HydrophobicContact CD2-CD1 4.35Å; L183-F198 HydrophobicContact CD2-CE1 3.89Å; V185-F198 PolarHBondContact N-O 3.07Å; V185-F198 PolarHBondContact O-N 3.29Å; F198-P200 HydrophobicContact CE1-CG 3.83Å; F198-P200 HydrophobicContact CE2-CB 4.19Å; F198-P200 HydrophobicContact CE2-CG 4.17Å; F198-P200 HydrophobicContact CZ-CB 3.98Å; F198-P200 HydrophobicContact CZ-CG 3.63Å; F198-V216 HydrophobicContact CE1-CG2 4.16Å; F198-V216 HydrophobicContact CZ-CG2 4.16Å; F198-Y218 HydrophobicContact CB-CD1 3.68Å; F198-Y218 HydrophobicContact CB-CE1 3.77Å; F198-Y218 HydrophobicContact CB-CG 4.1Å; F198-Y218 HydrophobicContact CD1-CD1 4.14Å; F198-Y218 HydrophobicContact CD1-CD2 4.45Å; F198-Y218 AromaticContact CD1-CG 3.84Å; F198-Y218 HydrophobicContact CD1-CG 3.84Å; F198-Y218 HydrophobicContact CD2-CD1 4Å; F198-Y218 AromaticContact CD2-CD2 3.36Å; F198-Y218 HydrophobicContact CD2-CD2 3.36Å; F198-Y218 HydrophobicContact CD2-CE1 4.23Å; F198-Y218 AromaticContact CD2-CE2 3.62Å; F198-Y218 HydrophobicContact CD2-CE2 3.62Å; F198-Y218 AromaticContact CD2-CG 3.56Å; F198-Y218 HydrophobicContact CD2-CG 3.56Å; F198-Y218 HydrophobicContact CE1-CG 4.11Å; F198-Y218 AromaticContact CE2-CD2 3.48Å; F198-Y218 HydrophobicContact CE2-CD2 3.48Å; F198-Y218 VanDerWaalsContact CE2-CD2 3.48Å; F198-Y218 HydrophobicContact CE2-CE2 4.05Å; F198-Y218 AromaticContact CE2-CG 3.86Å; F198-Y218 HydrophobicContact CE2-CG 3.86Å; F198-Y218 AromaticContact CG-CD1 3.67Å; F198-Y218 HydrophobicContact CG-CD1 3.67Å; F198-Y218 AromaticContact CG-CD2 3.88Å; F198-Y218 HydrophobicContact CG-CD2 3.88Å; F198-Y218 HydrophobicContact CG-CE1 4.1Å; F198-Y218 HydrophobicContact CG-CE2 4.28Å; F198-Y218 AromaticContact CG-CG 3.54Å; F198-Y218 HydrophobicContact CG-CG 3.54Å; F198-Y218 HydrophobicContact CZ-CD2 4.08Å; F198-Y218 HydrophobicContact CZ-CG 4.12Å; F198-F220 HydrophobicContact CB-CE1 4.2Å; F198-F220 HydrophobicContact CB-CE2 4.26Å; F198-F220 HydrophobicContact CB-CZ 3.57Å
199E97.4Very high97.6Very high91 Ų9175.1 Ų75.143%0.42540%0.397SS..  trans-133.475.2-177.4-63.4-175.7-144.600107.3K184 Q186K184-E199 HydrophobicContact CB-CG 4.08Å; K184-E199 HydrophobicContact CD-CG 4.18Å; K184-E199 WeakPolarHBondContact CD-OE2 3.45Å; K184-E199 WeakPolarHBondContact CE-OE1 3.42Å; K184-E199 HydrophobicContact CG-CG 3.77Å; K184-E199 IonicContact NZ-OE1 3.5Å; K184-E199 PolarHBondContact NZ-OE1 3Å; K184-E199 IonicContact NZ-OE2 2.67Å; K184-E199 PolarHBondContact NZ-OE2 3.3Å; Q186-E199 PolarHBondContact NE2-OE1 3.18Å
200P96.4Very high97.5Very high31 Ų3180 Ų8020%0.20142%0.422CS..PPolyproline II helixtrans-60.4149.8177.227.2-35.4000110.1L183 F198L183-P200 HydrophobicContact CB-CG 4.35Å; L183-P200 WeakPolarHBondContact O-CD 3.46Å; F198-P200 HydrophobicContact CE1-CG 3.83Å; F198-P200 HydrophobicContact CE2-CB 4.19Å; F198-P200 HydrophobicContact CE2-CG 4.17Å; F198-P200 HydrophobicContact CZ-CB 3.98Å; F198-P200 HydrophobicContact CZ-CG 3.63Å
201P97.8Very high97.4Very high109 Ų10977.6 Ų77.671%0.70840%0.402SS*.PPolyproline II helixtrans-53.1143.6173.3-25.334.3000111.4V203P201-V203 PolarHBondContact O-N 3.02Å
202P97.4Very high97.4Very high78 Ų7873.4 Ų73.451%0.50638%0.384SS..PPolyproline II helixtrans-54.3135.4176.7-26.134.2000111.9T180 Y181 Q182T180-P202 HydrophobicContact CG2-CB 3.65Å; Y181-P202 CarbonylContact O-C 3.6Å; Y181-P202 VanDerWaalsContact O-CA 3.28Å; Y181-P202 WeakPolarHBondContact O-CA 3.38Å; Q182-P202 HydrophobicContact CB-CB 4.48Å
203V98.1Very high97.4Very high51 Ų5168.3 Ų68.331%0.30936%0.364SS..EExtended strand (participates in β ladder)trans-96.9117.2-178.6-177.70000108.6F171 T180 Y181 P201F171-V203 HydrophobicContact CE2-CB 4.23Å; F171-V203 HydrophobicContact CE2-CG1 3.96Å; F171-V203 HydrophobicContact CZ-CB 4.17Å; F171-V203 HydrophobicContact CZ-CG1 3.92Å; F171-V203 HydrophobicContact CZ-CG2 4.39Å; T180-V203 CarbonylContact C-O 3.59Å; T180-V203 WeakPolarHBondContact CA-O 3.43Å; Y181-V203 HydrophobicContact CD1-CB 4.42Å; Y181-V203 PolarHBondContact N-O 3.44Å; Y181-V203 PolarHBondContact O-N 3.15Å; P201-V203 PolarHBondContact O-N 3.02Å
204T98Very high97.4Very high70 Ų7063.4 Ų63.443%0.42935%0.346SS..EExtended strand (participates in β ladder)trans-103.7119.8178.1-59.70000110.6C179 T180 T239C179-T204 WeakPolarHBondContact O-CA 3.47Å; T180-T204 PolarHBondContact OG1-OG1 3.44Å; T204-T239 HydrophobicContact CG2-CG2 4.05Å
205I97.6Very high97.4Very high33 Ų3363.4 Ų63.417%0.16934%0.341CS..EExtended strand (participates in β ladder)trans-98.8132.2174.6-59.1172.6000108.2F171 A173 G178 C179 N209F171-I205 HydrophobicContact CD2-CD1 4.18Å; F171-I205 HydrophobicContact CE2-CD1 3.81Å; A173-I205 HydrophobicContact CB-CB 3.97Å; A173-I205 HydrophobicContact CB-CD1 3.89Å; A173-I205 HydrophobicContact CB-CG2 3.73Å; G178-I205 CarbonylContact C-O 3.47Å; G178-I205 WeakPolarHBondContact CA-O 3.49Å; C179-I205 PolarHBondContact N-O 3.2Å; C179-I205 PolarHBondContact O-N 3.36Å; I205-N209 HydrophobicContact CG2-CB 3.73Å
206Q97.1Very high97.4Very high128 Ų12861.4 Ų61.460%0.59833%0.331SS*.PPolyproline II helixtrans-80.5158179.5-61.8-58.4-38.600111.9N209Q206-N209 WeakPolarHBondContact O-CB 3.25Å; Q206-N209 PolarHBondContact O-ND2 2.88Å
207Q95.6Very high97.3Very high52 Ų5262.5 Ų62.524%0.24334%0.338CS..SBendtrans-60.1153.9170.3-169-179.644.900110.9D176 N209 W242D176-Q207 WeakPolarHBondContact O-CG 3.28Å; D176-Q207 PolarHBondContact O-NE2 2.68Å; Q207-N209 VanDerWaalsContact C-N 3.35Å; Q207-W242 VanDerWaalsContact NE2-CH2 3.33Å
208W95.8Very high97.3Very high198 Ų19861.1 Ų61.175%0.7532%0.323SS*.SBendtrans64.939.5-177.3-45113.3000112.5A175 D176A175-W208 WeakPolarHBondContact O-CA 3.24Å; A175-W208 PolarHBondContact O-N 2.8Å; D176-W208 HydrophobicContact CB-CZ3 4.22Å
209N95.5Very high97.3Very high33 Ų3362.3 Ų62.318%0.17633%0.332CS..  trans-88.9174.1173.664.882.2000111.6R174 A175 I205 Q206 Q207 A211R174-N209 PolarHBondContact O-ND2 2.87Å; R174-N209 PolarHBondContact O-OD1 3.31Å; A175-N209 WeakPolarHBondContact CB-O 3.22Å; A175-N209 PolarHBondContact O-N 2.86Å; I205-N209 HydrophobicContact CG2-CB 3.73Å; Q206-N209 WeakPolarHBondContact O-CB 3.25Å; Q206-N209 PolarHBondContact O-ND2 2.88Å; Q207-N209 VanDerWaalsContact C-N 3.35Å; N209-A211 VanDerWaalsContact C-N 3.26Å; N209-A211 PolarHBondContact O-N 2.84Å; N209-A211 WeakPolarHBondContact OD1-CA 3.34Å; N209-A211 PolarHBondContact OD1-N 2.94Å
210N96.1Very high97.3Very high118 Ų11858.3 Ų58.363%0.63131%0.313SS*.  trans-79.2-2.1179.463.85.8000114.4A212N210-A212 PolarHBondContact O-N 2.85Å; N210-A212 VanDerWaalsContact O-N 3.16Å; N210-A212 VanDerWaalsContact OD1-CB 3.31Å; N210-A212 WeakPolarHBondContact OD1-CB 3.28Å; N210-A212 PolarHBondContact OD1-N 2.84Å
211A97Very high97.3Very high3 Ų358.6 Ų58.63%0.02532%0.316CS..  trans51.231.4-17500000114.2H120 T122 A175 N209H120-A211 WeakPolarHBondContact O-CB 3.34Å; T122-A211 HydrophobicContact CG2-CB 4.34Å; T122-A211 PolarHBondContact OG1-O 2.83Å; A175-A211 HydrophobicContact CB-CB 4.01Å; N209-A211 VanDerWaalsContact C-N 3.26Å; N209-A211 PolarHBondContact O-N 2.84Å; N209-A211 WeakPolarHBondContact OD1-CA 3.34Å; N209-A211 PolarHBondContact OD1-N 2.94Å
212A97.2Very high97.2Very high35 Ų3558.1 Ų58.129%0.28931%0.307SS..  trans-73.3141.517900000111.8N210N210-A212 PolarHBondContact O-N 2.85Å; N210-A212 VanDerWaalsContact O-N 3.16Å; N210-A212 VanDerWaalsContact OD1-CB 3.31Å; N210-A212 WeakPolarHBondContact OD1-CB 3.28Å; N210-A212 PolarHBondContact OD1-N 2.84Å
213W98.4Very high97.2Very high26 Ų2654.7 Ų54.710%0.09828%0.284CS..  trans-73.8125.6170.4-7296000110.5L116 T122 F124 Y132 W170 A172 R249 T251L116-W213 HydrophobicContact CD2-CZ2 3.59Å; T122-W213 PolarHBondContact O-NE1 2.72Å; T122-W213 VanDerWaalsContact O-NE1 3.15Å; F124-W213 HydrophobicContact CD2-CB 4.2Å; F124-W213 AromaticContact CD2-CD2 3.62Å; F124-W213 HydrophobicContact CD2-CD2 3.62Å; F124-W213 AromaticContact CD2-CE3 3.99Å; F124-W213 HydrophobicContact CD2-CE3 3.99Å; F124-W213 AromaticContact CD2-CG 3.71Å; F124-W213 HydrophobicContact CD2-CG 3.71Å; F124-W213 HydrophobicContact CE2-CB 4.35Å; F124-W213 HydrophobicContact CE2-CD2 4.13Å; F124-W213 HydrophobicContact CE2-CE3 4.11Å; F124-W213 HydrophobicContact CE2-CG 4.24Å; Y132-W213 HydrophobicContact CD1-CH2 4.37Å; Y132-W213 HydrophobicContact CD1-CZ2 4.25Å; Y132-W213 HydrophobicContact CG-CH2 4.13Å; Y132-W213 HydrophobicContact CG-CZ2 4.45Å; W170-W213 HydrophobicContact CB-CE3 4.27Å; W170-W213 HydrophobicContact CE3-CB 3.96Å; W170-W213 HydrophobicContact CZ3-CB 4.25Å; A172-W213 HydrophobicContact CB-CD2 3.61Å; A172-W213 HydrophobicContact CB-CE3 3.63Å; A172-W213 HydrophobicContact CB-CG 4.11Å; A172-W213 HydrophobicContact CB-CH2 4.22Å; A172-W213 HydrophobicContact CB-CZ2 4.18Å; A172-W213 HydrophobicContact CB-CZ3 3.96Å; W213-R249 HydrophobicContact CH2-CB 3.72Å; W213-R249 HydrophobicContact CZ2-CB 4.44Å; W213-R249 HydrophobicContact CZ3-CB 4.25Å; W213-T251 HydrophobicContact CE3-CG2 4.32Å; W213-T251 HydrophobicContact CH2-CG2 3.87Å; W213-T251 HydrophobicContact CZ3-CG2 3.69Å
214T98Very high97.2Very high40 Ų4055.1 Ų55.125%0.24529%0.288CS..EExtended strand (participates in β ladder)trans-111.6128179.5-57.50000109.7W170 F171W170-T214 WeakPolarHBondContact CA-O 3.34Å; F171-T214 WeakPolarHBondContact CD1-O 3.49Å; F171-T214 HydrophobicContact CE1-CG2 3.78Å; F171-T214 HydrophobicContact CZ-CG2 3.92Å; F171-T214 PolarHBondContact N-O 2.8Å; F171-T214 PolarHBondContact O-N 2.86Å
215E98.3Very high97.1Very high71 Ų7160 Ų6033%0.33230%0.299SS..EExtended strand (participates in β ladder)trans-84.3134.1170.8-170.1173.6-137.800110K168 D169 W170K168-E215 WeakPolarHBondContact CD-OE1 3.5Å; K168-E215 IonicContact NZ-OE1 2.76Å; K168-E215 PolarHBondContact NZ-OE1 3.35Å; K168-E215 IonicContact NZ-OE2 3.6Å; K168-E215 PolarHBondContact NZ-OE2 3.05Å; D169-E215 WeakPolarHBondContact O-CA 3.43Å; W170-E215 HydrophobicContact CD2-CB 3.83Å; W170-E215 HydrophobicContact CD2-CG 4.19Å; W170-E215 HydrophobicContact CE3-CB 3.95Å; W170-E215 HydrophobicContact CH2-CB 3.76Å; W170-E215 HydrophobicContact CH2-CG 4.49Å; W170-E215 HydrophobicContact CZ2-CB 3.58Å; W170-E215 HydrophobicContact CZ2-CG 3.81Å; W170-E215 HydrophobicContact CZ3-CB 3.93Å; W170-E215 PolarHBondContact NE1-OE1 2.79Å
216V97.6Very high97.2Very high15 Ų1559.5 Ų59.59%0.09130%0.302CS..EExtended strand (participates in β ladder)trans-107.9132.9159.859.50000108.6K168 D169 Y181 L183 F198K168-V216 CarbonylContact C-O 3.57Å; K168-V216 VanDerWaalsContact CA-O 3.25Å; K168-V216 WeakPolarHBondContact CA-O 3.49Å; D169-V216 HydrophobicContact CB-CG1 3.71Å; D169-V216 PolarHBondContact N-O 3.29Å; D169-V216 WeakPolarHBondContact O-CG1 3.34Å; D169-V216 PolarHBondContact O-N 3.04Å; Y181-V216 HydrophobicContact CE1-CG1 4.42Å; L183-V216 HydrophobicContact CD2-CG1 3.66Å; L183-V216 HydrophobicContact CD2-CG2 4.22Å; F198-V216 HydrophobicContact CE1-CG2 4.16Å; F198-V216 HydrophobicContact CZ-CG2 4.16Å
217S97.6Very high97.3Very high47 Ų4753.4 Ų53.433%0.32927%0.273SS..EExtended strand (participates in β ladder)trans-134.7134.3179.8179.20000110.3V167V167-S217 CarbonylContact O-C 3.55Å; V167-S217 WeakPolarHBondContact O-CA 3.41Å
218Y98.1Very high97.4Very high35 Ų3552 Ų5214%0.13727%0.265CS..EExtended strand (participates in β ladder)trans-141.8142.9176.1-174.7-98.1000110.8V167 F198 F220V167-Y218 PolarHBondContact N-O 3.07Å; V167-Y218 PolarHBondContact O-N 3.2Å; F198-Y218 HydrophobicContact CB-CD1 3.68Å; F198-Y218 HydrophobicContact CB-CE1 3.77Å; F198-Y218 HydrophobicContact CB-CG 4.1Å; F198-Y218 HydrophobicContact CD1-CD1 4.14Å; F198-Y218 HydrophobicContact CD1-CD2 4.45Å; F198-Y218 AromaticContact CD1-CG 3.84Å; F198-Y218 HydrophobicContact CD1-CG 3.84Å; F198-Y218 HydrophobicContact CD2-CD1 4Å; F198-Y218 AromaticContact CD2-CD2 3.36Å; F198-Y218 HydrophobicContact CD2-CD2 3.36Å; F198-Y218 HydrophobicContact CD2-CE1 4.23Å; F198-Y218 AromaticContact CD2-CE2 3.62Å; F198-Y218 HydrophobicContact CD2-CE2 3.62Å; F198-Y218 AromaticContact CD2-CG 3.56Å; F198-Y218 HydrophobicContact CD2-CG 3.56Å; F198-Y218 HydrophobicContact CE1-CG 4.11Å; F198-Y218 AromaticContact CE2-CD2 3.48Å; F198-Y218 HydrophobicContact CE2-CD2 3.48Å; F198-Y218 VanDerWaalsContact CE2-CD2 3.48Å; F198-Y218 HydrophobicContact CE2-CE2 4.05Å; F198-Y218 AromaticContact CE2-CG 3.86Å; F198-Y218 HydrophobicContact CE2-CG 3.86Å; F198-Y218 AromaticContact CG-CD1 3.67Å; F198-Y218 HydrophobicContact CG-CD1 3.67Å; F198-Y218 AromaticContact CG-CD2 3.88Å; F198-Y218 HydrophobicContact CG-CD2 3.88Å; F198-Y218 HydrophobicContact CG-CE1 4.1Å; F198-Y218 HydrophobicContact CG-CE2 4.28Å; F198-Y218 AromaticContact CG-CG 3.54Å; F198-Y218 HydrophobicContact CG-CG 3.54Å; F198-Y218 HydrophobicContact CZ-CD2 4.08Å; F198-Y218 HydrophobicContact CZ-CG 4.12Å; Y218-F220 HydrophobicContact CD1-CD1 4.44Å; Y218-F220 AromaticContact CD1-CD2 3.84Å; Y218-F220 HydrophobicContact CD1-CD2 3.84Å; Y218-F220 HydrophobicContact CD1-CE1 4.33Å; Y218-F220 AromaticContact CD1-CE2 3.72Å; Y218-F220 HydrophobicContact CD1-CE2 3.72Å; Y218-F220 HydrophobicContact CD1-CG 4.2Å; Y218-F220 AromaticContact CD1-CZ 3.98Å; Y218-F220 HydrophobicContact CD1-CZ 3.98Å; Y218-F220 AromaticContact CE1-CD1 3.63Å; Y218-F220 HydrophobicContact CE1-CD1 3.63Å; Y218-F220 AromaticContact CE1-CD2 3.84Å; Y218-F220 HydrophobicContact CE1-CD2 3.84Å; Y218-F220 AromaticContact CE1-CE1 3.62Å; Y218-F220 HydrophobicContact CE1-CE1 3.62Å; Y218-F220 AromaticContact CE1-CE2 3.84Å; Y218-F220 HydrophobicContact CE1-CE2 3.84Å; Y218-F220 AromaticContact CE1-CG 3.73Å; Y218-F220 HydrophobicContact CE1-CG 3.73Å; Y218-F220 AromaticContact CE1-CZ 3.74Å; Y218-F220 HydrophobicContact CE1-CZ 3.74Å
219T98.5Very high97.6Very high44 Ų4444.4 Ų44.427%0.2724%0.237SC..EExtended strand (participates in β ladder)trans-121.2118.7176.4-57.20000109.5D164 I165 V166 S221D164-T219 HydrophobicContact CB-CG2 3.72Å; I165-T219 CarbonylContact O-C 3.47Å; I165-T219 WeakPolarHBondContact O-CA 3.39Å; V166-T219 HydrophobicContact CG2-CG2 4.1Å; T219-S221 PolarHBondContact O-N 3.38Å
220F98.3Very high97.7Very high7 Ų742.8 Ų42.83%0.03123%0.228CC..EExtended strand (participates in β ladder)trans-78.3110.2164.6-62.7-91.7000108.4I165 V167 V185 L187 A196 F198 Y218 Y223I165-F220 HydrophobicContact CB-CB 4.26Å; I165-F220 HydrophobicContact CG2-CD2 4.48Å; I165-F220 PolarHBondContact N-O 3.36Å; I165-F220 PolarHBondContact O-N 2.87Å; V167-F220 HydrophobicContact CG2-CD2 4.26Å; V167-F220 HydrophobicContact CG2-CE2 4Å; V185-F220 HydrophobicContact CB-CE2 4.36Å; V185-F220 HydrophobicContact CB-CZ 4.43Å; V185-F220 HydrophobicContact CG1-CE2 3.94Å; V185-F220 HydrophobicContact CG1-CZ 4.31Å; L187-F220 HydrophobicContact CD1-CB 3.75Å; L187-F220 HydrophobicContact CD1-CD1 3.64Å; L187-F220 HydrophobicContact CD1-CD2 4.26Å; L187-F220 HydrophobicContact CD1-CE1 4.29Å; L187-F220 HydrophobicContact CD1-CG 3.63Å; L187-F220 HydrophobicContact CD2-CD2 4.15Å; L187-F220 HydrophobicContact CD2-CE2 4.29Å; L187-F220 HydrophobicContact CD2-CG 4.34Å; L187-F220 HydrophobicContact CG-CD1 3.9Å; L187-F220 HydrophobicContact CG-CD2 4.25Å; L187-F220 HydrophobicContact CG-CE1 4.05Å; L187-F220 HydrophobicContact CG-CE2 4.37Å; L187-F220 HydrophobicContact CG-CG 4.02Å; L187-F220 HydrophobicContact CG-CZ 4.28Å; A196-F220 HydrophobicContact CB-CD1 4.06Å; A196-F220 HydrophobicContact CB-CE1 4.04Å; F198-F220 HydrophobicContact CB-CE1 4.2Å; F198-F220 HydrophobicContact CB-CE2 4.26Å; F198-F220 HydrophobicContact CB-CZ 3.57Å; Y218-F220 HydrophobicContact CD1-CD1 4.44Å; Y218-F220 AromaticContact CD1-CD2 3.84Å; Y218-F220 HydrophobicContact CD1-CD2 3.84Å; Y218-F220 HydrophobicContact CD1-CE1 4.33Å; Y218-F220 AromaticContact CD1-CE2 3.72Å; Y218-F220 HydrophobicContact CD1-CE2 3.72Å; Y218-F220 HydrophobicContact CD1-CG 4.2Å; Y218-F220 AromaticContact CD1-CZ 3.98Å; Y218-F220 HydrophobicContact CD1-CZ 3.98Å; Y218-F220 AromaticContact CE1-CD1 3.63Å; Y218-F220 HydrophobicContact CE1-CD1 3.63Å; Y218-F220 AromaticContact CE1-CD2 3.84Å; Y218-F220 HydrophobicContact CE1-CD2 3.84Å; Y218-F220 AromaticContact CE1-CE1 3.62Å; Y218-F220 HydrophobicContact CE1-CE1 3.62Å; Y218-F220 AromaticContact CE1-CE2 3.84Å; Y218-F220 HydrophobicContact CE1-CE2 3.84Å; Y218-F220 AromaticContact CE1-CG 3.73Å; Y218-F220 HydrophobicContact CE1-CG 3.73Å; Y218-F220 AromaticContact CE1-CZ 3.74Å; Y218-F220 HydrophobicContact CE1-CZ 3.74Å; F220-Y223 HydrophobicContact CB-CD1 3.97Å
221S96.1Very high97.8Very high37 Ų3739.1 Ų39.126%0.25921%0.208SC..  trans-111.7148.4170.2-61.40000109.3D164 T219 Y223D164-S221 VanDerWaalsContact OD1-CB 3.29Å; D164-S221 WeakPolarHBondContact OD1-CB 3.43Å; D164-S221 PolarHBondContact OD1-OG 3.33Å; T219-S221 PolarHBondContact O-N 3.38Å; S221-Y223 PolarHBondContact O-N 3.2Å
222D94.9Very high97.9Very high100 Ų10039 Ų3954%0.53521%0.207SC..SBendtrans52.631.4174.5-60.3-51.3000114.9R162 K260R162-D222 PolarHBondContact NH1-O 2.74Å; D222-K260 IonicContact OD1-NZ 3.55Å; D222-K260 PolarHBondContact OD1-NZ 3.3Å
223Y97Very high98Very high6 Ų639.2 Ų39.22%0.02420%0.203CC..PPolyproline II helixtrans-58.9161.2178.445.6-98000112.6R162 P163 I165 L187 F220 S221 V227R162-Y223 VanDerWaalsContact C-OH 3.24Å; R162-Y223 WeakPolarHBondContact CA-OH 3.25Å; R162-Y223 HydrophobicContact CB-CD2 4.35Å; R162-Y223 HydrophobicContact CB-CE1 4.5Å; R162-Y223 HydrophobicContact CB-CE2 3.91Å; R162-Y223 WeakPolarHBondContact CD-O 3.44Å; R162-Y223 HydrophobicContact CG-CD2 4.26Å; R162-Y223 HydrophobicContact CG-CE2 3.97Å; R162-Y223 PolarHBondContact NH1-O 3.39Å; P163-Y223 VanDerWaalsContact CD-OH 3.24Å; P163-Y223 WeakPolarHBondContact CD-OH 3.29Å; P163-Y223 WeakPolarHBondContact O-CE1 3.43Å; P163-Y223 VanDerWaalsContact O-CZ 3.3Å; P163-Y223 PolarHBondContact O-OH 2.67Å; I165-Y223 HydrophobicContact CD1-CD1 4.25Å; I165-Y223 HydrophobicContact CD1-CE1 3.61Å; I165-Y223 HydrophobicContact CD1-CE2 4.46Å; I165-Y223 HydrophobicContact CG1-CE1 3.8Å; L187-Y223 HydrophobicContact CD1-CD1 3.92Å; L187-Y223 HydrophobicContact CD1-CD2 4.4Å; L187-Y223 HydrophobicContact CD1-CG 3.77Å; F220-Y223 HydrophobicContact CB-CD1 3.97Å; S221-Y223 PolarHBondContact O-N 3.2Å; Y223-V227 HydrophobicContact CD2-CB 4.21Å; Y223-V227 HydrophobicContact CD2-CG2 3.68Å; Y223-V227 HydrophobicContact CE2-CB 4.26Å; Y223-V227 HydrophobicContact CE2-CG2 4.24Å; Y223-V227 HydrophobicContact CG-CG2 4.39Å
224P97.6Very high98Very high60 Ų6038 Ų3839%0.3920%0.198SC..PPolyproline II helixtrans-58.6152.7176.3-2536000112.4L195 V227L195-P224 HydrophobicContact CB-CB 4.35Å; L195-P224 HydrophobicContact CB-CG 4.39Å; P224-V227 WeakPolarHBondContact O-CG2 3.29Å
225R97.9Very high98.1Very high173 Ų17336.1 Ų36.165%0.65319%0.186SC*.THydrogen-bonded Turntrans-64.3155.8171.3-59.2-170.3169.9156.1-0.4110.6D159D159-R225 HydrophobicContact CB-CB 4.39Å; D159-R225 WeakPolarHBondContact O-CD 3.5Å; D159-R225 WeakPolarHBondContact O-CG 3.43Å; D159-R225 PolarHBondContact O-NE 2.74Å
226G98.1Very high98.1Very high22 Ų2232.9 Ų32.923%0.22717%0.172CC..THydrogen-bonded Turntrans95.42.8175.800000114.4D159 S189 R228D159-G226 WeakPolarHBondContact OD1-CA 3.45Å; D159-G226 PolarHBondContact OD1-N 2.83Å; S189-G226 VanDerWaalsContact CA-O 3.28Å; S189-G226 WeakPolarHBondContact CA-O 3.18Å; G226-R228 PolarHBondContact O-N 3.07Å
227V98.7Very high98.1Very high0 Ų033.3 Ų33.30%018%0.175CC..  trans-62128.9175.6173.60000110L148 L158 L187 L195 Y223 P224L148-V227 HydrophobicContact CD1-CG1 3.77Å; L158-V227 WeakPolarHBondContact CD1-O 3.42Å; L187-V227 HydrophobicContact CB-CG1 4.02Å; L187-V227 HydrophobicContact CB-CG2 3.89Å; L187-V227 HydrophobicContact CD1-CG1 4.49Å; L187-V227 HydrophobicContact CD1-CG2 4.2Å; L187-V227 HydrophobicContact CD2-CG1 4.47Å; L195-V227 HydrophobicContact CB-CG2 4.4Å; L195-V227 HydrophobicContact CD1-CB 4.48Å; L195-V227 HydrophobicContact CD1-CG2 3.76Å; Y223-V227 HydrophobicContact CD2-CB 4.21Å; Y223-V227 HydrophobicContact CD2-CG2 3.68Å; Y223-V227 HydrophobicContact CE2-CB 4.26Å; Y223-V227 HydrophobicContact CE2-CG2 4.24Å; Y223-V227 HydrophobicContact CG-CG2 4.39Å; P224-V227 WeakPolarHBondContact O-CG2 3.29Å
228R98.8Very high98.1Very high21 Ų2131.4 Ų31.48%0.07916%0.162CC..  trans-131.4-33178.6-63.4-61.4177.6-92.82112.8L148 E155 D159 T188 A190 G226L148-R228 WeakPolarHBondContact CB-O 3.23Å; L148-R228 PolarHBondContact N-O 2.9Å; E155-R228 IonicContact OE2-CZ 3.55Å; E155-R228 IonicContact OE2-NE 3.55Å; E155-R228 IonicContact OE2-NH2 2.77Å; E155-R228 PolarHBondContact OE2-NH2 2.91Å; D159-R228 IonicContact OD1-CZ 3.72Å; D159-R228 IonicContact OD1-NH1 2.85Å; D159-R228 PolarHBondContact OD1-NH1 2.96Å; D159-R228 IonicContact OD1-NH2 3.65Å; D159-R228 IonicContact OD2-CZ 3.59Å; D159-R228 IonicContact OD2-NH1 3.46Å; D159-R228 PolarHBondContact OD2-NH1 2.8Å; D159-R228 IonicContact OD2-NH2 2.79Å; D159-R228 PolarHBondContact OD2-NH2 3.5Å; T188-R228 PolarHBondContact O-N 3.28Å; A190-R228 HydrophobicContact CB-CG 4.02Å; G226-R228 PolarHBondContact O-N 3.07Å
229Y98.9Very high98Very high39 Ų3932.4 Ų32.415%0.15317%0.171CC..EExtended strand (participates in β ladder)trans-125.4155.2178.1-48.5-89000113L145 V146 D147 T188 S189 Y192L145-Y229 HydrophobicContact CD1-CG 4.46Å; L145-Y229 HydrophobicContact CD2-CD1 4.39Å; L145-Y229 HydrophobicContact CG-CD1 4.36Å; V146-Y229 CarbonylContact O-C 3.53Å; V146-Y229 WeakPolarHBondContact O-CA 3.33Å; V146-Y229 WeakPolarHBondContact O-CB 3.29Å; D147-Y229 HydrophobicContact CB-CD1 3.83Å; D147-Y229 HydrophobicContact CB-CE1 3.7Å; D147-Y229 WeakPolarHBondContact OD2-CE1 3.42Å; T188-Y229 PolarHBondContact N-O 3.2Å; T188-Y229 PolarHBondContact O-N 2.99Å; T188-Y229 VanDerWaalsContact O-N 3.13Å; T188-Y229 WeakPolarHBondContact OG1-CB 3.27Å; S189-Y229 WeakPolarHBondContact O-CD2 3.29Å; Y192-Y229 AromaticContact CD1-CD2 3.86Å; Y192-Y229 HydrophobicContact CD1-CD2 3.86Å; Y192-Y229 HydrophobicContact CD1-CE2 4.14Å; Y192-Y229 HydrophobicContact CD1-CG 4.43Å; Y192-Y229 HydrophobicContact CE1-CD1 4.31Å; Y192-Y229 AromaticContact CE1-CD2 3.54Å; Y192-Y229 HydrophobicContact CE1-CD2 3.54Å; Y192-Y229 HydrophobicContact CE1-CE1 4.32Å; Y192-Y229 AromaticContact CE1-CE2 3.52Å; Y192-Y229 HydrophobicContact CE1-CE2 3.52Å; Y192-Y229 AromaticContact CE1-CG 3.97Å; Y192-Y229 HydrophobicContact CE1-CG 3.97Å; Y192-Y229 AromaticContact CE1-CZ 3.96Å; Y192-Y229 AromaticContact CZ-CE2 3.94Å
230I98.9Very high97.8Very high0 Ų033.7 Ų33.70%018%0.175CC..EExtended strand (participates in β ladder)trans-120.4117.1169.1-49.6171.6000108.3L145 V146 L148 I165 V185 Q186 L187 I255L145-I230 WeakPolarHBondContact CA-O 3.47Å; V146-I230 HydrophobicContact CB-CB 4.28Å; V146-I230 PolarHBondContact N-O 2.96Å; V146-I230 PolarHBondContact O-N 3.38Å; L148-I230 HydrophobicContact CD1-CD1 4.16Å; L148-I230 HydrophobicContact CD1-CG1 4.03Å; L148-I230 HydrophobicContact CD2-CD1 3.77Å; L148-I230 HydrophobicContact CD2-CG1 4.32Å; L148-I230 HydrophobicContact CG-CD1 4.21Å; L148-I230 HydrophobicContact CG-CG1 4.22Å; I165-I230 HydrophobicContact CD1-CD1 4.18Å; I165-I230 HydrophobicContact CG2-CD1 3.6Å; V185-I230 HydrophobicContact CG1-CG2 3.62Å; Q186-I230 CarbonylContact O-C 3.59Å; Q186-I230 WeakPolarHBondContact O-CA 3.39Å; L187-I230 HydrophobicContact CD2-CB 4.42Å; L187-I230 HydrophobicContact CD2-CD1 4.26Å; L187-I230 HydrophobicContact CD2-CG1 3.74Å; L187-I230 HydrophobicContact CD2-CG2 4.12Å; I230-I255 HydrophobicContact CB-CD1 4.29Å; I230-I255 HydrophobicContact CD1-CG2 3.63Å; I230-I255 HydrophobicContact CG2-CD1 3.67Å
231L98.9Very high97.7Very high40 Ų4040.4 Ų40.421%0.20920%0.201CC..EExtended strand (participates in β ladder)trans-89.6119.3168.1176.865.5000108.3L145 V185 Q186L145-L231 HydrophobicContact CD1-CB 4.1Å; L145-L231 HydrophobicContact CD1-CD1 4.45Å; V185-L231 CarbonylContact C-O 3.55Å; V185-L231 VanDerWaalsContact CA-O 3.24Å; V185-L231 WeakPolarHBondContact CA-O 3.26Å; Q186-L231 HydrophobicContact CB-CB 4.38Å; Q186-L231 PolarHBondContact N-O 2.84Å; Q186-L231 PolarHBondContact O-N 3.16Å
232F98.9Very high97.6Very high0 Ų043.5 Ų43.50%021%0.207CC..EExtended strand (participates in β ladder)trans-109.1124.9170.6-177.7-80.4000109L89 W101 S143 Q144 V167 D169 L183 V185 H234 I255L89-F232 HydrophobicContact CD1-CD1 4.13Å; L89-F232 HydrophobicContact CD1-CD2 3.97Å; L89-F232 HydrophobicContact CD1-CE1 4.26Å; L89-F232 HydrophobicContact CD1-CE2 4.1Å; L89-F232 HydrophobicContact CD1-CG 4Å; L89-F232 HydrophobicContact CD1-CZ 4.24Å; L89-F232 HydrophobicContact CD2-CB 4.09Å; L89-F232 HydrophobicContact CD2-CG 4.29Å; W101-F232 AromaticContact CH2-CD1 3.76Å; W101-F232 HydrophobicContact CH2-CD1 3.76Å; W101-F232 AromaticContact CH2-CE1 3.82Å; W101-F232 HydrophobicContact CH2-CE1 3.82Å; W101-F232 AromaticContact CZ3-CD1 3.82Å; W101-F232 HydrophobicContact CZ3-CD1 3.82Å; W101-F232 HydrophobicContact CZ3-CE1 4.16Å; S143-F232 CarbonylContact C-O 3.59Å; S143-F232 WeakPolarHBondContact CA-O 3.35Å; S143-F232 VanDerWaalsContact CB-O 3.31Å; S143-F232 WeakPolarHBondContact CB-O 3.29Å; Q144-F232 PolarHBondContact N-O 2.83Å; Q144-F232 PolarHBondContact O-N 2.88Å; V167-F232 HydrophobicContact CG1-CD2 4.11Å; V167-F232 HydrophobicContact CG1-CE2 3.88Å; D169-F232 HydrophobicContact CB-CE2 4.49Å; D169-F232 HydrophobicContact CB-CZ 4.02Å; L183-F232 HydrophobicContact CD1-CD2 4.37Å; L183-F232 HydrophobicContact CD1-CE1 4.26Å; L183-F232 HydrophobicContact CD1-CE2 3.76Å; L183-F232 HydrophobicContact CD1-CZ 3.69Å; V185-F232 HydrophobicContact CG2-CD2 3.63Å; V185-F232 HydrophobicContact CG2-CE2 4.14Å; V185-F232 HydrophobicContact CG2-CG 4.33Å; F232-H234 HydrophobicContact CE1-CB 4.19Å; F232-H234 AromaticContact CE1-CE1 3.94Å; F232-H234 AromaticContact CE1-CG 3.75Å; F232-H234 AromaticContact CE1-ND1 3.7Å; F232-I255 HydrophobicContact CB-CD1 3.89Å; F232-I255 HydrophobicContact CD2-CD1 4.05Å; F232-I255 HydrophobicContact CD2-CG1 4.25Å; F232-I255 HydrophobicContact CG-CD1 4.35Å
233Q98.9Very high97.7Very high41 Ų4142.2 Ų42.219%0.19221%0.21CC..EExtended strand (participates in β ladder)trans-137.2135.7177.4178.6-179.884.700110.4D104 L141 K142 K184D104-Q233 PolarHBondContact OD2-NE2 3.46Å; L141-Q233 HydrophobicContact CD2-CG 4.26Å; K142-Q233 WeakPolarHBondContact O-CA 3.12Å; K184-Q233 HydrophobicContact CB-CB 4.39Å; K184-Q233 PolarHBondContact N-O 2.74Å; K184-Q233 PolarHBondContact O-N 3.11Å
234H98.9Very high97.8Very high0 Ų042.4 Ų42.40%021%0.214CC..EExtended strand (participates in β ladder)trans-150.1168.9175.570.1172000112.5L141 K142 D169 Y181 Q182 L183 F232 V250 S253L141-H234 WeakPolarHBondContact CA-O 3.48Å; L141-H234 WeakPolarHBondContact CD2-O 3.3Å; K142-H234 WeakPolarHBondContact CE-NE2 3.44Å; K142-H234 PolarHBondContact N-O 2.97Å; K142-H234 PolarHBondContact NZ-NE2 2.95Å; K142-H234 PolarHBondContact O-N 2.98Å; K142-H234 VanDerWaalsContact O-N 3.07Å; D169-H234 IonicContact OD1-CE1 2.65Å; D169-H234 IonicContact OD1-ND1 3.66Å; D169-H234 IonicContact OD2-CE1 2.92Å; D169-H234 IonicContact OD2-CG 2.9Å; D169-H234 IonicContact OD2-ND1 3.91Å; D169-H234 PolarHBondContact OD2-ND1 3.18Å; Y181-H234 HydrophobicContact CE2-CB 4.23Å; Q182-H234 VanDerWaalsContact O-CA 3.25Å; Q182-H234 WeakPolarHBondContact O-CA 2.94Å; Q182-H234 WeakPolarHBondContact O-CB 3.28Å; L183-H234 HydrophobicContact CD1-CB 3.92Å; F232-H234 HydrophobicContact CE1-CB 4.19Å; F232-H234 AromaticContact CE1-CE1 3.94Å; F232-H234 AromaticContact CE1-CG 3.75Å; F232-H234 AromaticContact CE1-ND1 3.7Å; H234-V250 WeakPolarHBondContact CE1-CG2 3.47Å; H234-S253 PolarHBondContact CE1-OG 2.86Å
235G98.8Very high97.8Very high0 Ų043 Ų430%021%0.208CC..EExtended strand (participates in β ladder)trans151.3-141.9173.100000111.4C140 Y181 Q182C140-G235 CarbonylContact O-C 3.55Å; C140-G235 WeakPolarHBondContact O-CA 3.5Å; Y181-G235 WeakPolarHBondContact CA-O 3.24Å; Q182-G235 PolarHBondContact N-O 3.02Å; Q182-G235 PolarHBondContact O-N 2.87Å
236G98.6Very high97.8Very high3 Ų337.4 Ų37.43%0.03119%0.188CC..EExtended strand (participates in β ladder)trans149.1-156.8-176.700000113.2C140 T180C140-G236 PolarHBondContact N-O 2.81Å; C140-G236 PolarHBondContact O-N 2.93Å; T180-G236 WeakPolarHBondContact O-CA 3.24Å
237S98.4Very high97.8Very high24 Ų2436.4 Ų36.417%0.16818%0.177CC..EExtended strand (participates in β ladder)trans-152.6168.1178.560.90000110.9S136 C179 T180 P248S136-S237 WeakPolarHBondContact O-CA 3.24Å; C179-S237 WeakPolarHBondContact CA-O 3.27Å; T180-S237 PolarHBondContact N-O 2.85Å; T180-S237 PolarHBondContact O-N 3.37Å; S237-P248 VanDerWaalsContact O-CD 3.3Å; S237-P248 WeakPolarHBondContact O-CD 3.22Å
238D97.1Very high97.8Very high8 Ų836.4 Ų36.44%0.04318%0.177CC..EExtended strand (participates in β ladder)trans-67.4172.7166.88616.2000112.1S136 Y137 Q240 Y241 W242S136-D238 PolarHBondContact O-N 2.83Å; Y137-D238 VanDerWaalsContact CA-CG 3.47Å; Y137-D238 VanDerWaalsContact CB-OD2 3.27Å; Y137-D238 WeakPolarHBondContact CB-OD2 3.3Å; D238-Q240 PolarHBondContact OD1-N 2.94Å; D238-Y241 VanDerWaalsContact OD1-CA 3.27Å; D238-Y241 WeakPolarHBondContact OD1-CA 3.1Å; D238-Y241 PolarHBondContact OD1-N 3.36Å; D238-Y241 PolarHBondContact OD2-N 3.08Å; D238-W242 PolarHBondContact OD2-N 3.48Å
239T96.6Very high97.8Very high55 Ų5535.6 Ų35.634%0.33717%0.174SC..SBendtrans-112.2-2.7172.162.30000114.1G178 T204G178-T239 WeakPolarHBondContact CA-OG1 3.45Å; G178-T239 PolarHBondContact O-N 2.76Å; G178-T239 PolarHBondContact O-OG1 3.33Å; T204-T239 HydrophobicContact CG2-CG2 4.05Å
240Q94Very high97.8Very high72 Ų7233.7 Ų33.734%0.33617%0.166SC..SBendtrans-104.6-8.2-175.7-58.1-55.3-51.300113.2C177 D238 W242C177-Q240 WeakPolarHBondContact SG-CG 3.47Å; D238-Q240 PolarHBondContact OD1-N 2.94Å; Q240-W242 VanDerWaalsContact C-N 3.32Å; Q240-W242 HydrophobicContact CB-CD2 3.83Å; Q240-W242 HydrophobicContact CB-CE3 4.42Å; Q240-W242 HydrophobicContact CB-CG 3.91Å; Q240-W242 HydrophobicContact CB-CZ2 4.39Å; Q240-W242 VanDerWaalsContact O-CD1 3.29Å; Q240-W242 PolarHBondContact O-N 2.83Å
241Y95.5Very high97.8Very high148 Ų14833.7 Ų33.758%0.5817%0.166SC*.  trans57.242.5-176.6-145.5-107.7000112.8Y137 E138 D238Y137-Y241 HydrophobicContact CD2-CD1 4.4Å; Y137-Y241 HydrophobicContact CD2-CD2 4.18Å; Y137-Y241 HydrophobicContact CD2-CE1 4.2Å; Y137-Y241 AromaticContact CD2-CE2 3.95Å; Y137-Y241 HydrophobicContact CD2-CE2 3.95Å; Y137-Y241 HydrophobicContact CD2-CG 4.41Å; Y137-Y241 AromaticContact CD2-CZ 3.97Å; Y137-Y241 WeakPolarHBondContact O-CD2 3.47Å; E138-Y241 HydrophobicContact CG-CE2 3.88Å; E138-Y241 PolarHBondContact OE1-OH 2.59Å; D238-Y241 VanDerWaalsContact OD1-CA 3.27Å; D238-Y241 WeakPolarHBondContact OD1-CA 3.1Å; D238-Y241 PolarHBondContact OD1-N 3.36Å; D238-Y241 PolarHBondContact OD2-N 3.08Å
242W95.1Very high97.8Very high101 Ų10134 Ų3438%0.38317%0.168SC..  trans-93.7124.6-177.1-73.8-4.9000110.9Y137 D176 C177 Q207 D238 Q240 G244 Y246Y137-W242 VanDerWaalsContact CD1-O 3.29Å; Y137-W242 WeakPolarHBondContact CD1-O 3.27Å; D176-W242 WeakPolarHBondContact O-CZ3 3.37Å; C177-W242 HydrophobicContact CB-CE3 4.42Å; C177-W242 HydrophobicContact CB-CZ3 4.31Å; Q207-W242 VanDerWaalsContact NE2-CH2 3.33Å; D238-W242 PolarHBondContact OD2-N 3.48Å; Q240-W242 VanDerWaalsContact C-N 3.32Å; Q240-W242 HydrophobicContact CB-CD2 3.83Å; Q240-W242 HydrophobicContact CB-CE3 4.42Å; Q240-W242 HydrophobicContact CB-CG 3.91Å; Q240-W242 HydrophobicContact CB-CZ2 4.39Å; Q240-W242 VanDerWaalsContact O-CD1 3.29Å; Q240-W242 PolarHBondContact O-N 2.83Å; W242-G244 PolarHBondContact O-N 2.66Å; W242-Y246 HydrophobicContact CB-CD2 3.87Å; W242-Y246 HydrophobicContact CB-CE2 4.2Å; W242-Y246 HydrophobicContact CB-CG 4.17Å; W242-Y246 AromaticContact CE3-CD1 3.75Å; W242-Y246 HydrophobicContact CE3-CD1 3.75Å; W242-Y246 AromaticContact CE3-CE1 3.69Å; W242-Y246 HydrophobicContact CE3-CE1 3.69Å; W242-Y246 HydrophobicContact CE3-CG 4.29Å; W242-Y246 HydrophobicContact CZ3-CD1 4.38Å; W242-Y246 HydrophobicContact CZ3-CE1 4.19Å
243A96.9Very high97.8Very high74 Ų7434 Ų3461%0.61217%0.168SC*.SBendtrans-52.6134.6174.300000111Y137 Y246Y137-A243 HydrophobicContact CE1-CB 4.31Å; A243-Y246 WeakPolarHBondContact O-CE2 3.38Å
244G97.8Very high97.8Very high9 Ų933 Ų339%0.09317%0.165CC..SBendtrans111-154.6-172.800000114D109 S136 W242D109-G244 VanDerWaalsContact OD2-CA 3.29Å; D109-G244 WeakPolarHBondContact OD2-CA 3.48Å; D109-G244 PolarHBondContact OD2-N 2.79Å; S136-G244 WeakPolarHBondContact CA-O 3.42Å; S136-G244 WeakPolarHBondContact CB-O 3.49Å; S136-G244 PolarHBondContact OG-O 3.11Å; W242-G244 PolarHBondContact O-N 2.66Å
245W98.4Very high97.8Very high73 Ų7333 Ų3328%0.27717%0.165SC..SBendtrans-112.776.6-172.2-62.4-80.5000110.9D109 R110 K112 V134 T135D109-W245 HydrophobicContact CB-CZ2 4.03Å; D109-W245 WeakPolarHBondContact O-CZ2 3.42Å; D109-W245 PolarHBondContact O-NE1 3.13Å; R110-W245 VanDerWaalsContact O-CD1 3.3Å; R110-W245 PolarHBondContact O-NE1 2.9Å; K112-W245 VanDerWaalsContact CB-CD1 3.48Å; K112-W245 HydrophobicContact CB-CD2 4.07Å; K112-W245 HydrophobicContact CB-CG 4Å; K112-W245 HydrophobicContact CB-CZ2 4.25Å; K112-W245 HydrophobicContact CD-CD2 3.4Å; K112-W245 VanDerWaalsContact CD-CE2 3.41Å; K112-W245 HydrophobicContact CD-CE3 3.66Å; K112-W245 HydrophobicContact CD-CG 3.96Å; K112-W245 HydrophobicContact CD-CH2 3.93Å; K112-W245 HydrophobicContact CD-CZ2 3.68Å; K112-W245 HydrophobicContact CD-CZ3 3.92Å; K112-W245 HydrophobicContact CG-CD2 4.4Å; K112-W245 HydrophobicContact CG-CZ2 4.5Å; V134-W245 HydrophobicContact CB-CB 4.45Å; V134-W245 HydrophobicContact CG1-CB 3.73Å; V134-W245 HydrophobicContact CG1-CG 3.99Å; V134-W245 HydrophobicContact CG2-CB 3.91Å; T135-W245 WeakPolarHBondContact O-CA 3.38Å
246Y98Very high97.8Very high56 Ų5634 Ų3422%0.2217%0.172CC..  trans-110.9-3.7-176.5-69.8-89.3000113.5R174 C177 W242 A243R174-Y246 VanDerWaalsContact NH2-CE1 3.26Å; C177-Y246 HydrophobicContact CB-CD1 3.8Å; C177-Y246 HydrophobicContact CB-CG 4.48Å; W242-Y246 HydrophobicContact CB-CD2 3.87Å; W242-Y246 HydrophobicContact CB-CE2 4.2Å; W242-Y246 HydrophobicContact CB-CG 4.17Å; W242-Y246 AromaticContact CE3-CD1 3.75Å; W242-Y246 HydrophobicContact CE3-CD1 3.75Å; W242-Y246 AromaticContact CE3-CE1 3.69Å; W242-Y246 HydrophobicContact CE3-CE1 3.69Å; W242-Y246 HydrophobicContact CE3-CG 4.29Å; W242-Y246 HydrophobicContact CZ3-CD1 4.38Å; W242-Y246 HydrophobicContact CZ3-CE1 4.19Å; A243-Y246 WeakPolarHBondContact O-CE2 3.38Å
247G98.5Very high97.8Very high0 Ų033.8 Ų33.80%017%0.17CC..SBendtrans-76.4-174.1177.500000113.4T135T135-G247 PolarHBondContact O-N 3.02Å; T135-G247 VanDerWaalsContact OG1-CA 3.26Å; T135-G247 WeakPolarHBondContact OG1-CA 3.1Å
248P98.5Very high97.5Very high0 Ų033.7 Ų33.70%017%0.169CC..  trans-57.1142.8176.426.4-38.3000112.4T135 T180 S237T135-P248 HydrophobicContact CG2-CG 4.3Å; T135-P248 PolarHBondContact N-O 2.94Å; T135-P248 VanDerWaalsContact N-O 3.16Å; T135-P248 WeakPolarHBondContact OG1-CD 3.4Å; T135-P248 VanDerWaalsContact OG1-CG 3.3Å; T135-P248 WeakPolarHBondContact OG1-CG 3.47Å; T135-P248 PolarHBondContact OG1-O 3.3Å; T180-P248 WeakPolarHBondContact O-CG 3.47Å; S237-P248 VanDerWaalsContact O-CD 3.3Å; S237-P248 WeakPolarHBondContact O-CD 3.22Å
249R98.8Very high97.2Very high4 Ų435.3 Ų35.32%0.01518%0.177CC..EExtended strand (participates in β ladder)trans-94137.6165.9-59169.6167.6154-6.7108.5A119 Y132 F133 V134 F171 A172 R174 W213A119-R249 PolarHBondContact O-NH2 2.68Å; Y132-R249 HydrophobicContact CD2-CB 3.85Å; Y132-R249 HydrophobicContact CD2-CG 3.83Å; Y132-R249 HydrophobicContact CE2-CB 4.27Å; Y132-R249 HydrophobicContact CE2-CG 3.72Å; Y132-R249 HydrophobicContact CG-CB 4.36Å; F133-R249 CarbonylContact O-C 3.44Å; F133-R249 VanDerWaalsContact O-CA 3.24Å; F133-R249 WeakPolarHBondContact O-CA 3.42Å; V134-R249 HydrophobicContact CB-CG 4.22Å; V134-R249 HydrophobicContact CG2-CG 3.9Å; F171-R249 CarbonylContact C-O 3.55Å; F171-R249 WeakPolarHBondContact CA-O 3.23Å; F171-R249 WeakPolarHBondContact CB-O 3.42Å; A172-R249 PolarHBondContact N-O 3.48Å; A172-R249 WeakPolarHBondContact O-CB 3.02Å; A172-R249 PolarHBondContact O-N 2.85Å; R174-R249 VanDerWaalsContact CG-NH2 3.33Å; W213-R249 HydrophobicContact CH2-CB 3.72Å; W213-R249 HydrophobicContact CZ2-CB 4.44Å; W213-R249 HydrophobicContact CZ3-CB 4.25Å
250V98.9Very high96.7Very high0 Ų036.2 Ų36.20%018%0.176CC..EExtended strand (participates in β ladder)trans-135.7141.7178-60.70000111W111 F133 W170 F171 Y181 H234W111-V250 HydrophobicContact CH2-CG2 3.91Å; W111-V250 HydrophobicContact CZ3-CG2 3.89Å; F133-V250 HydrophobicContact CB-CG2 3.88Å; F133-V250 HydrophobicContact CD2-CG2 4.43Å; F133-V250 PolarHBondContact N-O 3.5Å; F133-V250 PolarHBondContact O-N 2.94Å; W170-V250 VanDerWaalsContact O-CA 3.24Å; W170-V250 WeakPolarHBondContact O-CA 3.5Å; F171-V250 HydrophobicContact CB-CG1 4.02Å; Y181-V250 HydrophobicContact CD2-CG1 3.88Å; Y181-V250 HydrophobicContact CE2-CG1 3.75Å; H234-V250 WeakPolarHBondContact CE1-CG2 3.47Å
251T98.8Very high95.7Very high0 Ų042.2 Ų42.20%020%0.195CC..EExtended strand (participates in β ladder)trans-162.2174.5178.7-163.40000111C93 F124 V129 K131 W170 W213 S253C93-T251 WeakPolarHBondContact CA-OG1 3.33Å; F124-T251 HydrophobicContact CD2-CG2 4.07Å; F124-T251 HydrophobicContact CE2-CG2 3.98Å; V129-T251 HydrophobicContact CG1-CG2 3.91Å; K131-T251 PolarHBondContact O-OG1 3.48Å; W170-T251 WeakPolarHBondContact CB-O 3.4Å; W170-T251 PolarHBondContact N-O 3.26Å; W170-T251 PolarHBondContact O-N 3.15Å; W170-T251 VanDerWaalsContact O-N 3.11Å; W213-T251 HydrophobicContact CE3-CG2 4.32Å; W213-T251 HydrophobicContact CH2-CG2 3.87Å; W213-T251 HydrophobicContact CZ3-CG2 3.69Å; T251-S253 PolarHBondContact O-N 2.8Å
252N98.7Very high94Very high45 Ų4539.6 Ų39.624%0.24120%0.195CC..EExtended strand (participates in β ladder)trans53.432.8172.6-161.442.1000114P92 F124 V129 W170P92-N252 PolarHBondContact O-N 3.2Å; F124-N252 HydrophobicContact CE1-CB 4.34Å; F124-N252 HydrophobicContact CZ-CB 3.89Å; V129-N252 HydrophobicContact CG2-CB 4.22Å; W170-N252 HydrophobicContact CG-CB 4.47Å
253S98.9Very high92.1Very high0 Ų044.6 Ų44.60%021%0.214CC..EExtended strand (participates in β ladder)trans-64.4141.1175.9-430000110.3N87 P92 K168 D169 H234 T251N87-S253 PolarHBondContact ND2-O 3.24Å; P92-S253 WeakPolarHBondContact CB-O 3.2Å; K168-S253 CarbonylContact O-C 3.5Å; K168-S253 WeakPolarHBondContact O-CA 3.41Å; D169-S253 WeakPolarHBondContact OD1-CA 3.06Å; D169-S253 VanDerWaalsContact OD1-CB 3.28Å; D169-S253 WeakPolarHBondContact OD1-CB 3.47Å; D169-S253 PolarHBondContact OD1-OG 2.97Å; H234-S253 PolarHBondContact CE1-OG 2.86Å; T251-S253 PolarHBondContact O-N 2.8Å
254S98.8Very high89.3Confident20 Ų2048 Ų4814%0.1422%0.222CC..EExtended strand (participates in β ladder)trans-146.7147.6174.464.90000114.8N87 V167 K168N87-S254 VanDerWaalsContact CG-CB 3.49Å; N87-S254 WeakPolarHBondContact ND2-CB 3.5Å; N87-S254 WeakPolarHBondContact OD1-CA 3.44Å; N87-S254 WeakPolarHBondContact OD1-CB 3.16Å; V167-S254 CarbonylContact C-O 3.6Å; V167-S254 WeakPolarHBondContact CA-O 3.45Å; K168-S254 PolarHBondContact N-O 3.18Å; K168-S254 PolarHBondContact O-N 2.79Å
255I98.8Very high86.4Confident0 Ų057.2 Ų57.20%026%0.262CS..EExtended strand (participates in β ladder)trans-124.7126.1164.9-67.1175000107N87 L88 L89 V146 I165 V166 V167 I230 F232N87-I255 WeakPolarHBondContact CA-O 3.47Å; N87-I255 PolarHBondContact OD1-N 3Å; N87-I255 PolarHBondContact OD1-O 3.38Å; L88-I255 HydrophobicContact CB-CB 4.33Å; L88-I255 HydrophobicContact CB-CG2 4.36Å; L88-I255 HydrophobicContact CD1-CG2 4.15Å; L88-I255 HydrophobicContact CG-CG2 4.47Å; L88-I255 PolarHBondContact N-O 3.43Å; L89-I255 HydrophobicContact CD1-CD1 4.37Å; L89-I255 HydrophobicContact CD1-CG1 4.1Å; L89-I255 HydrophobicContact CD2-CD1 3.94Å; L89-I255 HydrophobicContact CD2-CG1 4.43Å; L89-I255 HydrophobicContact CG-CB 4.32Å; L89-I255 HydrophobicContact CG-CD1 4.07Å; L89-I255 HydrophobicContact CG-CG1 4Å; V146-I255 HydrophobicContact CG2-CD1 4.3Å; I165-I255 HydrophobicContact CG2-CG2 4.11Å; V166-I255 CarbonylContact O-C 3.57Å; V166-I255 WeakPolarHBondContact O-CA 3.4Å; V167-I255 HydrophobicContact CG2-CG1 4.38Å; I230-I255 HydrophobicContact CB-CD1 4.29Å; I230-I255 HydrophobicContact CD1-CG2 3.63Å; I230-I255 HydrophobicContact CG2-CD1 3.67Å; F232-I255 HydrophobicContact CB-CD1 3.89Å; F232-I255 HydrophobicContact CD2-CD1 4.05Å; F232-I255 HydrophobicContact CD2-CG1 4.25Å; F232-I255 HydrophobicContact CG-CD1 4.35Å
256V98.6Very high83.3Confident21 Ų2157.4 Ų57.413%0.12728%0.28CS..EExtended strand (participates in β ladder)trans-135131.6178.4-178.80000109.4H85 V166H85-V256 VanDerWaalsContact CD2-CG1 3.49Å; H85-V256 WeakPolarHBondContact CD2-CG1 3.39Å; H85-V256 WeakPolarHBondContact NE2-CG1 3.11Å; V166-V256 PolarHBondContact N-O 2.82Å; V166-V256 PolarHBondContact O-N 3.33Å
257V98.1Very high80.1Confident0 Ų060.8 Ų60.80%031%0.311CS..EExtended strand (participates in β ladder)trans-90.7128.5170.1-173.80000108.6L81 L88 L148 Y153 P163 D164 I165L81-V257 HydrophobicContact CD2-CG1 3.97Å; L88-V257 HydrophobicContact CD1-CG2 3.97Å; L148-V257 HydrophobicContact CD2-CG2 4.01Å; Y153-V257 HydrophobicContact CD1-CB 4.1Å; Y153-V257 HydrophobicContact CD1-CG1 3.95Å; Y153-V257 HydrophobicContact CD1-CG2 4.23Å; Y153-V257 HydrophobicContact CD2-CG2 4.25Å; Y153-V257 HydrophobicContact CE1-CB 3.43Å; Y153-V257 VanDerWaalsContact CE1-CB 3.43Å; Y153-V257 HydrophobicContact CE1-CG1 3.69Å; Y153-V257 HydrophobicContact CE1-CG2 3.83Å; Y153-V257 HydrophobicContact CE2-CB 4.3Å; Y153-V257 HydrophobicContact CE2-CG2 3.84Å; Y153-V257 HydrophobicContact CG-CG2 4.43Å; P163-V257 HydrophobicContact CB-CG1 3.71Å; P163-V257 HydrophobicContact CG-CG1 3.48Å; P163-V257 VanDerWaalsContact CG-CG1 3.48Å; D164-V257 CarbonylContact O-C 3.57Å; D164-V257 WeakPolarHBondContact O-CA 3.18Å; I165-V257 HydrophobicContact CG1-CG2 4.37Å
258S93.6Very high77Confident22 Ų2266.3 Ų66.315%0.15435%0.35CS..EExtended strand (participates in β ladder)trans-133.4156.3-173.767.10000111.8P163 D164P163-S258 CarbonylContact C-O 3.6Å; P163-S258 VanDerWaalsContact CB-O 3.3Å; P163-S258 WeakPolarHBondContact CB-O 3.48Å; D164-S258 PolarHBondContact N-O 3.01Å; D164-S258 PolarHBondContact O-N 3.23Å; D164-S258 PolarHBondContact O-OG 3.16Å
259H90.6Very high73.6Confident42 Ų4275.4 Ų75.419%0.19439%0.393CS..PPolyproline II helixtrans-59.4144168.674.2-64.8000110.3F78 L81 R261F78-H259 HydrophobicContact CD2-CB 3.98Å; F78-H259 AromaticContact CD2-CD2 3.88Å; F78-H259 AromaticContact CD2-CG 3.81Å; F78-H259 HydrophobicContact CE2-CB 4.44Å; F78-H259 AromaticContact CE2-CD2 3.72Å; F78-H259 AromaticContact CE2-CG 3.79Å; F78-H259 AromaticContact CE2-ND1 3.99Å; F78-H259 AromaticContact CE2-NE2 3.87Å; L81-H259 HydrophobicContact CD1-CB 4.01Å; H259-R261 PolarHBondContact O-N 2.9Å
260K85.4Confident70.4Confident74 Ų7480 Ų8032%0.32243%0.432SS..PPolyproline II helixtrans-58.9129.5176.4-67.9-170.4-180179.10109.7F161 R162 D164 D222F161-K260 VanDerWaalsContact O-CE 3.25Å; F161-K260 WeakPolarHBondContact O-CE 3.4Å; F161-K260 PolarHBondContact O-NZ 2.86Å; R162-K260 WeakPolarHBondContact O-CE 3.31Å; D164-K260 WeakPolarHBondContact OD2-CA 3.38Å; D222-K260 IonicContact OD1-NZ 3.55Å; D222-K260 PolarHBondContact OD1-NZ 3.3Å
261R72.3Confident67.1Low197 Ų19789 Ų8974%0.74347%0.474SS*.PPolyproline II helixtrans-76.7125.9167.2-71.1-174177.1179.8-0.3108.7D164 H259 R263D164-R261 PolarHBondContact OD2-N 2.91Å; H259-R261 PolarHBondContact O-N 2.9Å; R261-R263 PolarHBondContact O-N 2.79Å
262T59.8Low64Low94 Ų9495.3 Ų95.358%0.57751%0.514SS*.  trans-61.9103.5165.9-140000107.1N264T262-N264 PolarHBondContact O-N 3.42Å; T262-N264 VanDerWaalsContact O-N 3.08Å
263R55.3Low60.7Low206 Ų20696.7 Ų96.778%0.77754%0.539SS*.  trans-70.6105.5169.7-69.6-175.1-170.6-179.93.8106.4R261 Q265R261-R263 PolarHBondContact O-N 2.79Å; R263-Q265 PolarHBondContact O-N 3.35Å; R263-Q265 VanDerWaalsContact O-N 3.12Å
264N39.2Very low57.4Low145 Ų145107 Ų10778%0.77558%0.584SS**  trans-58.1119.5162.3-79.1-14000106.9T262 A266T262-N264 PolarHBondContact O-N 3.42Å; T262-N264 VanDerWaalsContact O-N 3.08Å; N264-A266 PolarHBondContact O-N 3.42Å
265Q35.8Very low54.1Low202 Ų202115.5 Ų115.594%0.94462%0.618SS**  trans-71.573.9173.4-150.5174.99.900107.5R263R263-Q265 PolarHBondContact O-N 3.35Å; R263-Q265 VanDerWaalsContact O-N 3.12Å
266A33.8Very low50.8Low78 Ų78125 Ų12565%0.64566%0.662SS**  trans-149.179.7-178.100000110N264N264-A266 PolarHBondContact O-N 3.42Å
267S32.1Very low47.4Very low126 Ų126127.3 Ų127.388%0.88169%0.691SS**  trans-179.558.9147.332.90000109.3
268S32.3Very low44Very low116 Ų116136.8 Ų136.881%0.81174%0.735SS**  trans-115.362.4157.9590000108.2
269E28.1Very low40.9Very low192 Ų192145.4 Ų145.490%0.89777%0.773SS**  trans-116.183.9160.5-77.5-171.3165.300107.6
270A30.5Very low38.1Very low101 Ų101153 Ų15384%0.83581%0.808SS**PPolyproline II helixtrans-78.4119.4159.400000107.7
271Q29.7Very low35.3Very low189 Ų189153.6 Ų153.688%0.88383%0.827SS**PPolyproline II helixtrans-75.4148.4163.8-82.2-167-16.200110.8
272P34.7Very low33.4Very low132 Ų132149.6 Ų149.686%0.85784%0.837SS**PPolyproline II helixtrans-89.1137.5-159.234.2-33.2000113.2
273G28.1Very low31.9Very low73 Ų73154.3 Ų154.375%0.75385%0.852SS**  trans-149.382.9174.100000113.6
274K29.9Very low30.8Very low217 Ų217148.9 Ų148.994%0.94385%0.846SS**  trans58.6121.7153.8-67.4-179.1177.6177.60120.7
275K29.8Very low30.2Very low198 Ų198147.8 Ų147.886%0.86185%0.846SS**  trans-69.3141.7172.1-70179.1172.6-177.80114.1
276H29.3Very low30.1Very low199 Ų199146.2 Ų146.292%0.92183%0.833SS**  169.4134.2126.9-98.464.1000107.1
277G26.1Very low30Very low71 Ų71151.6 Ų151.673%0.73285%0.845SS**  cis-169.3147.5-800000106.8
278Q27.3Very low30Very low198 Ų198148.2 Ų148.293%0.92582%0.824SS**  trans26.2120.4165.5-68.7171.8-44.600121.2
279E28.3Very low30Very low203 Ų203147.6 Ų147.695%0.94982%0.816SS**  -164.8144.7100.2-128.9169.1-172.900111
280E31.4Very low30.1Very low201 Ų201143.4 Ų143.494%0.93980%0.799SS**  trans-95.8121.3-163.9-151.6173.2-165.100110.5
281A27.7Very low30Very low88 Ų88144.8 Ų144.873%0.72779%0.788SS**  trans-142.8122.7163.700000109.3Q283A281-Q283 PolarHBondContact O-N 2.82Å
282A32.4Very low29.9Very low113 Ų113142.5 Ų142.593%0.93478%0.781SS**PPolyproline II helixtrans-55.4118.1-173.900000112.5
283Q28.2Very low29.9Very low193 Ų193147.2 Ų147.290%0.90279%0.788SS**PPolyproline II helixtrans-95.9129174-81.7178.7-18.200111.3A281A281-Q283 PolarHBondContact O-N 2.82Å
284S32.8Very low30Very low92 Ų92151 Ų15164%0.64379%0.79SS**PPolyproline II helixtrans-63.3141.8172.2177.90000111.8Y286S284-Y286 VanDerWaalsContact C-N 3.27Å; S284-Y286 PolarHBondContact O-N 3.48Å; S284-Y286 VanDerWaalsContact O-N 3.13Å
285P26.1Very low30Very low122 Ų122147.5 Ų147.579%0.79278%0.782SS**SBendtrans-82.219.3-170.133-35.3000115.7Q287P285-Q287 PolarHBondContact O-N 2.82Å
286Y34.1Very low30Very low168 Ų168144.7 Ų144.766%0.65978%0.777SS**  trans-97.393.8-178.9-67-81.5000111.9S284 A288S284-Y286 VanDerWaalsContact C-N 3.27Å; S284-Y286 PolarHBondContact O-N 3.48Å; S284-Y286 VanDerWaalsContact O-N 3.13Å; Y286-A288 PolarHBondContact O-N 2.73Å; Y286-A288 VanDerWaalsContact O-N 3.09Å
287Q30.7Very low30Very low191 Ų191141.5 Ų141.589%0.89377%0.769SS**  trans-7296.8162.7-82.4-174.2-31.800109.3P285P285-Q287 PolarHBondContact O-N 2.82Å
288A32.1Very low30.3Very low55 Ų55145.9 Ų145.946%0.45577%0.771SS.*  trans-73.5126.9158.800000108.4Y286 L290Y286-A288 PolarHBondContact O-N 2.73Å; Y286-A288 VanDerWaalsContact O-N 3.09Å; A288-L290 PolarHBondContact O-N 2.76Å
289V32.3Very low30.5Very low104 Ų104142.4 Ų142.463%0.6376%0.761SS**  trans-84.688.7169-178.90000107.1Q291V289-Q291 HydrophobicContact CG1-CB 4.39Å; V289-Q291 HydrophobicContact CG1-CG 3.71Å; V289-Q291 PolarHBondContact O-N 3.16Å
290L29.8Very low30.6Very low104 Ų104138.1 Ų138.155%0.54575%0.747SS.*  trans-80.589.9158.4-88.1153.1000106.5A288 I292A288-L290 PolarHBondContact O-N 2.76Å; L290-I292 VanDerWaalsContact C-N 3.28Å; L290-I292 PolarHBondContact O-N 3.06Å; L290-I292 VanDerWaalsContact O-N 3.08Å
291Q29Very low30.6Very low129 Ų129133.2 Ų133.260%0.60373%0.733SS**  trans-77.488.7165.5-90.9178.3-3.700107.8V289 F293V289-Q291 HydrophobicContact CG1-CB 4.39Å; V289-Q291 HydrophobicContact CG1-CG 3.71Å; V289-Q291 PolarHBondContact O-N 3.16Å; Q291-F293 HydrophobicContact CB-CD2 4.27Å; Q291-F293 HydrophobicContact CB-CE2 3.99Å; Q291-F293 HydrophobicContact CG-CE2 4.15Å; Q291-F293 PolarHBondContact O-N 3.41Å
292I28Very low30.8Very low142 Ų142137 Ų13773%0.72873%0.733SS**  trans-80.5107.9163.8-55.9173.2000105.4L290L290-I292 VanDerWaalsContact C-N 3.28Å; L290-I292 PolarHBondContact O-N 3.06Å; L290-I292 VanDerWaalsContact O-N 3.08Å
293F34.2Very low30.7Very low231 Ų231139.2 Ų139.2100%1.01372%0.715SS**  trans-97.60164.3-74.4-74.4000109.4Q291Q291-F293 HydrophobicContact CB-CD2 4.27Å; Q291-F293 HydrophobicContact CB-CE2 3.99Å; Q291-F293 HydrophobicContact CG-CE2 4.15Å; Q291-F293 PolarHBondContact O-N 3.41Å

Retrieved 293 of 293 residues in 232.1 ms (Link to these results)

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