G4VJM9_SCHMA Loading...

Putative synaptophysin/synaptoporin

AlphaFold DB , UniProt , Accession G4VJM9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 231 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
1M40.6Very low55.8Low236 Ų236112.4 Ų112.4100%1.16361%0.608SS**  064.20-69.6-174.6-77.100109.6
2I45.7Very low57.1Low180 Ų180107.8 Ų107.892%0.92358%0.578SS**  trans-106.359.3-178.8-53.8174.4000107.6
3E47.4Very low58.5Low178 Ų178110.5 Ų110.583%0.83258%0.582SS**  trans-126.98.4-174-135.6166-176.200113.4
4S49.4Very low59.8Low95 Ų95107.8 Ų107.866%0.66456%0.564SS**  trans-106.813.5-177.997.80000115.3S7S4-S7 PolarHBondContact O-OG 3.42Å
5S49.6Very low61Low94 Ų94106.6 Ų106.666%0.65757%0.565SS**THydrogen-bonded Turntrans-85.9-21.3179.8-1720000113.7
6S51.4Low62Low95 Ų95101.8 Ų101.866%0.66454%0.538SS*.THydrogen-bonded Turntrans-83-22.9178.567.40000113.1
7S57.9Low63.1Low71 Ų7196.1 Ų96.150%0.49751%0.51SS..THydrogen-bonded Turntrans-77.3-27.1-178.358.10000113.7S4 W9 E10S4-S7 PolarHBondContact O-OG 3.42Å; S7-W9 VanDerWaalsContact C-N 3.3Å; S7-W9 PolarHBondContact O-N 2.95Å; S7-E10 PolarHBondContact O-N 3.49Å
8G62Low64.4Low14 Ų1497.7 Ų97.714%0.14451%0.512CS..THydrogen-bonded Turntrans-68.5-24.7-175.300000114.7V11G8-V11 WeakPolarHBondContact O-CG2 3.44Å
9W68.2Low65.5Low168 Ų16893.6 Ų93.664%0.63649%0.491SS*.THydrogen-bonded Turntrans-84.8-16.8-179.3-63.199.9000113.5S7 V11 F12S7-W9 VanDerWaalsContact C-N 3.3Å; S7-W9 PolarHBondContact O-N 2.95Å; W9-V11 PolarHBondContact O-N 3.19Å; W9-F12 AromaticContact CE3-CD2 3.76Å; W9-F12 HydrophobicContact CE3-CD2 3.76Å; W9-F12 AromaticContact CE3-CE2 3.78Å; W9-F12 HydrophobicContact CE3-CE2 3.78Å; W9-F12 HydrophobicContact CZ3-CD2 4.26Å; W9-F12 AromaticContact CZ3-CE2 3.89Å; W9-F12 HydrophobicContact CZ3-CE2 3.89Å; W9-F12 PolarHBondContact O-N 2.82Å; W9-F12 VanDerWaalsContact O-N 3.12Å
10E72.2Confident66.6Low95 Ų9589.7 Ų89.744%0.44447%0.469SS..G310 helixtrans-61.1-25.3175.7-64.2-63132.900111.6S7 F12 K13S7-E10 PolarHBondContact O-N 3.49Å; E10-F12 PolarHBondContact O-N 3.37Å; E10-K13 WeakPolarHBondContact O-CA 3.36Å; E10-K13 VanDerWaalsContact O-CB 3.28Å; E10-K13 WeakPolarHBondContact O-CB 3.32Å; E10-K13 PolarHBondContact O-N 2.99Å; E10-K13 WeakPolarHBondContact OE1-CE 3.06Å; E10-K13 IonicContact OE1-NZ 3.7Å; E10-K13 PolarHBondContact OE1-NZ 2.88Å; E10-K13 VanDerWaalsContact OE2-CD 3.31Å; E10-K13 WeakPolarHBondContact OE2-CD 3.26Å; E10-K13 WeakPolarHBondContact OE2-CE 3.47Å; E10-K13 IonicContact OE2-NZ 2.7Å; E10-K13 PolarHBondContact OE2-NZ 2.04Å
11V69Low67.6Low10 Ų1088.1 Ų88.16%0.06146%0.463CS..G310 helixtrans-59.5-30.9176.3-172.40000112.5G8 W9 K13 E14 H115G8-V11 WeakPolarHBondContact O-CG2 3.44Å; W9-V11 PolarHBondContact O-N 3.19Å; V11-K13 VanDerWaalsContact C-N 3.26Å; V11-K13 PolarHBondContact O-N 3.03Å; V11-E14 WeakPolarHBondContact O-CB 3.34Å; V11-E14 PolarHBondContact O-N 3.1Å; V11-H115 VanDerWaalsContact CG2-CD2 3.42Å; V11-H115 WeakPolarHBondContact CG2-CD2 3.26Å
12F71.5Confident70Confident57 Ų5779.5 Ų79.525%0.2542%0.421CS..G310 helixtrans-78.3-11175.8-67.4-70.1000113.5W9 E10 E14 F18 V21 V112W9-F12 AromaticContact CE3-CD2 3.76Å; W9-F12 HydrophobicContact CE3-CD2 3.76Å; W9-F12 AromaticContact CE3-CE2 3.78Å; W9-F12 HydrophobicContact CE3-CE2 3.78Å; W9-F12 HydrophobicContact CZ3-CD2 4.26Å; W9-F12 AromaticContact CZ3-CE2 3.89Å; W9-F12 HydrophobicContact CZ3-CE2 3.89Å; W9-F12 PolarHBondContact O-N 2.82Å; W9-F12 VanDerWaalsContact O-N 3.12Å; E10-F12 PolarHBondContact O-N 3.37Å; F12-E14 VanDerWaalsContact C-N 3.35Å; F12-F18 PolarHBondContact O-N 2.7Å; F12-V21 HydrophobicContact CD1-CG2 3.5Å; F12-V21 VanDerWaalsContact CD1-CG2 3.5Å; F12-V21 HydrophobicContact CE1-CG2 3.86Å; F12-V21 HydrophobicContact CG-CG2 4.42Å; F12-V112 HydrophobicContact CE2-CG2 3.97Å; F12-V112 HydrophobicContact CZ-CG2 4.35Å
13K75.1Confident72.2Confident144 Ų14470.9 Ų70.963%0.62638%0.377SS*.G310 helixtrans-82.4-17.6170.6-57.5-173.1-168.4161.20112.1E10 V11E10-K13 WeakPolarHBondContact O-CA 3.36Å; E10-K13 VanDerWaalsContact O-CB 3.28Å; E10-K13 WeakPolarHBondContact O-CB 3.32Å; E10-K13 PolarHBondContact O-N 2.99Å; E10-K13 WeakPolarHBondContact OE1-CE 3.06Å; E10-K13 IonicContact OE1-NZ 3.7Å; E10-K13 PolarHBondContact OE1-NZ 2.88Å; E10-K13 VanDerWaalsContact OE2-CD 3.31Å; E10-K13 WeakPolarHBondContact OE2-CD 3.26Å; E10-K13 WeakPolarHBondContact OE2-CE 3.47Å; E10-K13 IonicContact OE2-NZ 2.7Å; E10-K13 PolarHBondContact OE2-NZ 2.04Å; V11-K13 VanDerWaalsContact C-N 3.26Å; V11-K13 PolarHBondContact O-N 3.03Å
14E77.1Confident74.4Confident72 Ų7263.6 Ų63.634%0.33635%0.345SS..SBendtrans-66142.4171.3-61.1-175175.800109.9V11 F12 K16 G17 F18V11-E14 WeakPolarHBondContact O-CB 3.34Å; V11-E14 PolarHBondContact O-N 3.1Å; F12-E14 VanDerWaalsContact C-N 3.35Å; E14-K16 PolarHBondContact O-N 3.49Å; E14-G17 PolarHBondContact O-N 2.83Å; E14-F18 PolarHBondContact O-N 2.89Å
15P78.2Confident76.5Confident90 Ų9063.9 Ų63.958%0.58434%0.338SS*.Hα-helixtrans-51.2-36.5-178.2-27.834.1000113.2I19P15-I19 WeakPolarHBondContact O-CG2 3.36Å; P15-I19 PolarHBondContact O-N 2.9Å
16K77.4Confident78.6Confident29 Ų2960.9 Ų60.913%0.12631%0.314CS..Hα-helixtrans-70.1-43178.8-172.5177.9179.3178.60113.4E14 I19 K20 Y111 Y118 E128 I204E14-K16 PolarHBondContact O-N 3.49Å; K16-I19 VanDerWaalsContact O-CG2 3.26Å; K16-I19 WeakPolarHBondContact O-CG2 3.45Å; K16-K20 VanDerWaalsContact O-CG 3.26Å; K16-K20 WeakPolarHBondContact O-CG 3.3Å; K16-K20 PolarHBondContact O-N 3Å; K16-Y111 WeakPolarHBondContact CE-OH 3.36Å; K16-Y111 PolarHBondContact NZ-OH 3.08Å; K16-Y118 PolarHBondContact NZ-OH 2.8Å; K16-E128 WeakPolarHBondContact CE-OE1 3.22Å; K16-E128 IonicContact NZ-OE1 2.76Å; K16-E128 PolarHBondContact NZ-OE1 2.89Å; K16-E128 IonicContact NZ-OE2 3.24Å; K16-E128 PolarHBondContact NZ-OE2 3.38Å; K16-I204 HydrophobicContact CD-CG1 4.42Å
17G80.2Confident80.7Confident6 Ų656.3 Ų56.36%0.06228%0.283CS..Hα-helixtrans-66.4-42.2175.300000111.1E14 K20 V21E14-G17 PolarHBondContact O-N 2.83Å; G17-K20 PolarHBondContact O-N 2.04Å; G17-V21 WeakPolarHBondContact O-CG2 3.08Å; G17-V21 PolarHBondContact O-N 3.34Å
18F85.4Confident82.4Confident124 Ų12455.9 Ų55.954%0.54427%0.274SS..Hα-helixtrans-62.8-46.1-179.4-174.5-110000112.9F12 E14 K20 V21 I22F12-F18 PolarHBondContact O-N 2.7Å; E14-F18 PolarHBondContact O-N 2.89Å; F18-K20 VanDerWaalsContact C-N 3.31Å; F18-K20 PolarHBondContact O-N 3.49Å; F18-V21 PolarHBondContact O-N 2.77Å; F18-I22 HydrophobicContact CD1-CD1 3.97Å; F18-I22 HydrophobicContact CE1-CD1 3.44Å; F18-I22 VanDerWaalsContact CE1-CD1 3.44Å; F18-I22 HydrophobicContact CE1-CG1 4.41Å; F18-I22 HydrophobicContact CZ-CD1 3.77Å; F18-I22 HydrophobicContact CZ-CG1 4.44Å; F18-I22 PolarHBondContact O-N 3.48Å
19I87Confident84.1Confident21 Ų2157.6 Ų57.611%0.10828%0.283CS..Hα-helixtrans-62.7-38.2178.7-167.1168.6000111.9P15 K16 V21 I22 E23 L196 A199P15-I19 WeakPolarHBondContact O-CG2 3.36Å; P15-I19 PolarHBondContact O-N 2.9Å; K16-I19 VanDerWaalsContact O-CG2 3.26Å; K16-I19 WeakPolarHBondContact O-CG2 3.45Å; I19-V21 VanDerWaalsContact C-N 3.31Å; I19-V21 PolarHBondContact O-N 3.14Å; I19-I22 PolarHBondContact O-N 3.25Å; I19-I22 VanDerWaalsContact O-N 3.17Å; I19-E23 HydrophobicContact CG1-CG 4.43Å; I19-E23 VanDerWaalsContact O-CG 3.32Å; I19-E23 WeakPolarHBondContact O-CG 3.37Å; I19-E23 PolarHBondContact O-N 3.46Å; I19-L196 WeakPolarHBondContact CD1-O 3.34Å; I19-A199 HydrophobicContact CD1-CB 4.32Å
20K86.1Confident85.3Confident14 Ų1449.6 Ų49.66%0.06125%0.253CS..Hα-helixtrans-62.7-36.9177.1-69.9-80.2160.5-134.70112.1K16 G17 F18 E23 V24K16-K20 VanDerWaalsContact O-CG 3.26Å; K16-K20 WeakPolarHBondContact O-CG 3.3Å; K16-K20 PolarHBondContact O-N 3Å; G17-K20 PolarHBondContact O-N 2.04Å; F18-K20 VanDerWaalsContact C-N 3.31Å; F18-K20 PolarHBondContact O-N 3.49Å; K20-E23 VanDerWaalsContact CD-OE2 3.29Å; K20-E23 WeakPolarHBondContact CD-OE2 3.47Å; K20-E23 WeakPolarHBondContact CE-OE2 3.43Å; K20-E23 IonicContact NZ-OE1 2.69Å; K20-E23 IonicContact NZ-OE2 2.82Å; K20-E23 PolarHBondContact NZ-OE2 3.25Å; K20-E23 PolarHBondContact O-N 3.15Å; K20-V24 WeakPolarHBondContact O-CG2 3.09Å; K20-V24 PolarHBondContact O-N 3.41Å
21V88.3Confident86.4Confident57 Ų5746.5 Ų46.535%0.34524%0.238SC..Hα-helixtrans-64-44.4174.8174.40000110.7F12 G17 F18 I19 V24 L25F12-V21 HydrophobicContact CD1-CG2 3.5Å; F12-V21 VanDerWaalsContact CD1-CG2 3.5Å; F12-V21 HydrophobicContact CE1-CG2 3.86Å; F12-V21 HydrophobicContact CG-CG2 4.42Å; G17-V21 WeakPolarHBondContact O-CG2 3.08Å; G17-V21 PolarHBondContact O-N 3.34Å; F18-V21 PolarHBondContact O-N 2.77Å; I19-V21 VanDerWaalsContact C-N 3.31Å; I19-V21 PolarHBondContact O-N 3.14Å; V21-V24 PolarHBondContact O-N 3.3Å; V21-L25 HydrophobicContact CG1-CD1 4.32Å; V21-L25 WeakPolarHBondContact O-CG 3.44Å; V21-L25 PolarHBondContact O-N 2.99Å; V21-L25 VanDerWaalsContact O-N 3.09Å
22I91.8Very high87.6Confident55 Ų5548 Ų4828%0.28225%0.252SS..Hα-helixtrans-64.4-44.8177.2-61.1177.3000110.5F18 I19 V24 L25 I26 L196F18-I22 HydrophobicContact CD1-CD1 3.97Å; F18-I22 HydrophobicContact CE1-CD1 3.44Å; F18-I22 VanDerWaalsContact CE1-CD1 3.44Å; F18-I22 HydrophobicContact CE1-CG1 4.41Å; F18-I22 HydrophobicContact CZ-CD1 3.77Å; F18-I22 HydrophobicContact CZ-CG1 4.44Å; F18-I22 PolarHBondContact O-N 3.48Å; I19-I22 PolarHBondContact O-N 3.25Å; I19-I22 VanDerWaalsContact O-N 3.17Å; I22-V24 VanDerWaalsContact C-N 3.29Å; I22-V24 PolarHBondContact O-N 3.14Å; I22-L25 PolarHBondContact O-N 2.82Å; I22-L25 VanDerWaalsContact O-N 3.16Å; I22-I26 HydrophobicContact CG2-CG1 4.07Å; I22-I26 WeakPolarHBondContact O-CG1 3.15Å; I22-I26 PolarHBondContact O-N 2.98Å; I22-L196 HydrophobicContact CG2-CD1 3.67Å; I22-L196 HydrophobicContact CG2-CD2 4.27Å
23E91.7Very high88.7Confident0 Ų047 Ų470%025%0.251CS..Hα-helixtrans-56-42.4176.2-73.4169.5179.300111.8I19 K20 A27 N193 L196 W197I19-E23 HydrophobicContact CG1-CG 4.43Å; I19-E23 VanDerWaalsContact O-CG 3.32Å; I19-E23 WeakPolarHBondContact O-CG 3.37Å; I19-E23 PolarHBondContact O-N 3.46Å; K20-E23 VanDerWaalsContact CD-OE2 3.29Å; K20-E23 WeakPolarHBondContact CD-OE2 3.47Å; K20-E23 WeakPolarHBondContact CE-OE2 3.43Å; K20-E23 IonicContact NZ-OE1 2.69Å; K20-E23 IonicContact NZ-OE2 2.82Å; K20-E23 PolarHBondContact NZ-OE2 3.25Å; K20-E23 PolarHBondContact O-N 3.15Å; E23-A27 WeakPolarHBondContact O-CB 3.04Å; E23-A27 PolarHBondContact O-N 3.32Å; E23-N193 WeakPolarHBondContact CA-OD1 3.05Å; E23-N193 PolarHBondContact O-OD1 3.48Å; E23-L196 HydrophobicContact CG-CB 3.83Å; E23-L196 HydrophobicContact CG-CD1 4.49Å; E23-W197 HydrophobicContact CG-CG 4.45Å; E23-W197 WeakPolarHBondContact OE2-CZ2 3.41Å
24V92.3Very high89.6Confident24 Ų2440.2 Ų40.215%0.14522%0.221CC..Hα-helixtrans-62-48.6175.4169.90000111.3K20 V21 I22 I26 A27 I28 M101 C104K20-V24 WeakPolarHBondContact O-CG2 3.09Å; K20-V24 PolarHBondContact O-N 3.41Å; V21-V24 PolarHBondContact O-N 3.3Å; I22-V24 VanDerWaalsContact C-N 3.29Å; I22-V24 PolarHBondContact O-N 3.14Å; V24-I26 PolarHBondContact O-N 3.04Å; V24-A27 PolarHBondContact O-N 3.35Å; V24-I28 HydrophobicContact CG1-CD1 3.7Å; V24-I28 HydrophobicContact CG1-CG1 4.41Å; V24-I28 VanDerWaalsContact O-CG1 3.26Å; V24-I28 WeakPolarHBondContact O-CG1 3.42Å; V24-I28 PolarHBondContact O-N 3.13Å; V24-M101 HydrophobicContact CG1-CG 4.16Å; V24-C104 HydrophobicContact CG2-CB 3.07Å
25L94.5Very high90.4Very high101 Ų10139.1 Ų39.153%0.52922%0.221SC..Hα-helixtrans-62.2-45.8-178.4-69.3174.5000111.3V21 I22 I28 C29V21-L25 HydrophobicContact CG1-CD1 4.32Å; V21-L25 WeakPolarHBondContact O-CG 3.44Å; V21-L25 PolarHBondContact O-N 2.99Å; V21-L25 VanDerWaalsContact O-N 3.09Å; I22-L25 PolarHBondContact O-N 2.82Å; I22-L25 VanDerWaalsContact O-N 3.16Å; L25-I28 PolarHBondContact O-N 3.33Å; L25-C29 PolarHBondContact O-N 2.87Å; L25-C29 PolarHBondContact O-SG 3.09Å
26I94Very high91.2Very high31 Ų3141.5 Ų41.516%0.15923%0.228CC..Hα-helixtrans-66.9-38.2178-61.7-60.2000111I22 V24 I28 C29 A30 F189 T192 N193 L196I22-I26 HydrophobicContact CG2-CG1 4.07Å; I22-I26 WeakPolarHBondContact O-CG1 3.15Å; I22-I26 PolarHBondContact O-N 2.98Å; V24-I26 PolarHBondContact O-N 3.04Å; I26-I28 PolarHBondContact O-N 3.21Å; I26-C29 PolarHBondContact O-N 3.47Å; I26-A30 VanDerWaalsContact O-CB 3.31Å; I26-A30 WeakPolarHBondContact O-CB 3.48Å; I26-A30 PolarHBondContact O-N 2.79Å; I26-F189 HydrophobicContact CD1-CD1 4.11Å; I26-F189 HydrophobicContact CD1-CE1 4.37Å; I26-F189 HydrophobicContact CG2-CB 4.16Å; I26-F189 HydrophobicContact CG2-CD1 4.27Å; I26-F189 VanDerWaalsContact CG2-O 3.23Å; I26-F189 WeakPolarHBondContact CG2-O 3.35Å; I26-T192 HydrophobicContact CG2-CG2 4.3Å; I26-N193 HydrophobicContact CG2-CB 3.92Å; I26-L196 HydrophobicContact CB-CD1 4.3Å; I26-L196 HydrophobicContact CG1-CD1 3.89Å
27A93.7Very high91.9Very high0 Ų040.8 Ų40.80%023%0.225CC..Hα-helixtrans-60.9-43.517400000111.9E23 V24 A30 F31 T100 W139E23-A27 WeakPolarHBondContact O-CB 3.04Å; E23-A27 PolarHBondContact O-N 3.32Å; V24-A27 PolarHBondContact O-N 3.35Å; A27-A30 WeakPolarHBondContact O-CB 3.06Å; A27-A30 PolarHBondContact O-N 2.9Å; A27-F31 WeakPolarHBondContact O-CD1 3.27Å; A27-F31 PolarHBondContact O-N 3.14Å; A27-T100 HydrophobicContact CB-CG2 4.4Å; A27-W139 HydrophobicContact CB-CH2 3.56Å; A27-W139 HydrophobicContact CB-CZ2 4.43Å; A27-W139 HydrophobicContact CB-CZ3 3.98Å
28I95.6Very high92.5Very high61 Ų6143 Ų4331%0.31324%0.24SC..Hα-helixtrans-61.5-49.2175.4-66.4165.1000110.7V24 L25 I26 A30 F31 A32 M101V24-I28 HydrophobicContact CG1-CD1 3.7Å; V24-I28 HydrophobicContact CG1-CG1 4.41Å; V24-I28 VanDerWaalsContact O-CG1 3.26Å; V24-I28 WeakPolarHBondContact O-CG1 3.42Å; V24-I28 PolarHBondContact O-N 3.13Å; L25-I28 PolarHBondContact O-N 3.33Å; I26-I28 PolarHBondContact O-N 3.21Å; I28-A30 VanDerWaalsContact C-N 3.28Å; I28-A30 PolarHBondContact O-N 3.47Å; I28-F31 HydrophobicContact CB-CE1 4.15Å; I28-F31 HydrophobicContact CB-CZ 4.04Å; I28-F31 HydrophobicContact CG1-CE1 3.84Å; I28-F31 HydrophobicContact CG1-CZ 3.77Å; I28-F31 HydrophobicContact CG2-CE2 4.48Å; I28-F31 HydrophobicContact CG2-CZ 4.1Å; I28-F31 PolarHBondContact O-N 2.82Å; I28-A32 WeakPolarHBondContact O-CB 3.09Å; I28-A32 PolarHBondContact O-N 3.39Å; I28-M101 HydrophobicContact CD1-CG 4.18Å; I28-M101 HydrophobicContact CD1-SD 4.27Å; I28-M101 HydrophobicContact CG1-CG 3.97Å; I28-M101 HydrophobicContact CG1-SD 4.06Å
29C95.7Very high92.8Very high50 Ų5037.4 Ų37.434%0.33822%0.216SC..Hα-helixtrans-58.1-41.8176.2-680000111.8L25 I26 T33 F189L25-C29 PolarHBondContact O-N 2.87Å; L25-C29 PolarHBondContact O-SG 3.09Å; I26-C29 PolarHBondContact O-N 3.47Å; C29-T33 VanDerWaalsContact O-CB 3.3Å; C29-T33 WeakPolarHBondContact O-CB 3.1Å; C29-T33 WeakPolarHBondContact O-CG2 3.19Å; C29-T33 PolarHBondContact O-N 2.79Å; C29-T33 PolarHBondContact O-OG1 3.27Å; C29-F189 HydrophobicContact CB-CD1 3.99Å; C29-F189 HydrophobicContact CB-CD2 3.84Å; C29-F189 HydrophobicContact CB-CE1 4.03Å; C29-F189 HydrophobicContact CB-CE2 3.89Å; C29-F189 HydrophobicContact CB-CG 3.9Å; C29-F189 HydrophobicContact CB-CZ 3.99Å
30A94.5Very high93Very high0 Ų038 Ų380%022%0.222CC..Hα-helixtrans-59.8-56.3177.900000112.9I26 A27 I28 T33 T34 Y93 W139 F189I26-A30 VanDerWaalsContact O-CB 3.31Å; I26-A30 WeakPolarHBondContact O-CB 3.48Å; I26-A30 PolarHBondContact O-N 2.79Å; A27-A30 WeakPolarHBondContact O-CB 3.06Å; A27-A30 PolarHBondContact O-N 2.9Å; I28-A30 VanDerWaalsContact C-N 3.28Å; I28-A30 PolarHBondContact O-N 3.47Å; A30-T33 PolarHBondContact O-OG1 2.67Å; A30-T33 VanDerWaalsContact O-OG1 3.07Å; A30-T34 PolarHBondContact O-N 2.91Å; A30-T34 PolarHBondContact O-OG1 3.24Å; A30-Y93 HydrophobicContact CB-CE1 4.25Å; A30-Y93 VanDerWaalsContact CB-OH 3.23Å; A30-Y93 WeakPolarHBondContact CB-OH 3.47Å; A30-W139 HydrophobicContact CB-CH2 4.28Å; A30-W139 HydrophobicContact CB-CZ2 3.86Å; A30-F189 HydrophobicContact CB-CB 3.75Å
31F94.2Very high93.3Very high31 Ų3137.3 Ų37.314%0.13622%0.219CC..Hα-helixtrans-73.9-35.3-17869.8-113.2000112.2A27 I28 T34 C35 V94 V98 M101A27-F31 WeakPolarHBondContact O-CD1 3.27Å; A27-F31 PolarHBondContact O-N 3.14Å; I28-F31 HydrophobicContact CB-CE1 4.15Å; I28-F31 HydrophobicContact CB-CZ 4.04Å; I28-F31 HydrophobicContact CG1-CE1 3.84Å; I28-F31 HydrophobicContact CG1-CZ 3.77Å; I28-F31 HydrophobicContact CG2-CE2 4.48Å; I28-F31 HydrophobicContact CG2-CZ 4.1Å; I28-F31 PolarHBondContact O-N 2.82Å; F31-T34 PolarHBondContact O-N 3.42Å; F31-C35 PolarHBondContact O-N 3.08Å; F31-C35 PolarHBondContact O-SG 3.47Å; F31-C35 VanDerWaalsContact O-SG 3.36Å; F31-V94 HydrophobicContact CB-CB 4.46Å; F31-V94 HydrophobicContact CB-CG1 4.31Å; F31-V94 HydrophobicContact CB-CG2 4.3Å; F31-V98 HydrophobicContact CD1-CG2 4.4Å; F31-V98 HydrophobicContact CE1-CG2 4.44Å; F31-V98 HydrophobicContact CG-CG2 4.48Å; F31-M101 HydrophobicContact CE1-CB 4.24Å; F31-M101 HydrophobicContact CE1-SD 4.32Å; F31-M101 HydrophobicContact CZ-SD 4.12Å
32A95.4Very high93.5Very high41 Ų4139.3 Ų39.334%0.33922%0.223SC..Hα-helixtrans-64.7-43.7179.500000111.3I28 T34 C35 D36I28-A32 WeakPolarHBondContact O-CB 3.09Å; I28-A32 PolarHBondContact O-N 3.39Å; A32-T34 VanDerWaalsContact C-N 3.25Å; A32-T34 PolarHBondContact O-N 3.01Å; A32-C35 PolarHBondContact O-N 2.89Å; A32-D36 VanDerWaalsContact O-CB 3.27Å; A32-D36 WeakPolarHBondContact O-CB 3.2Å; A32-D36 PolarHBondContact O-N 3.2Å
33T94.4Very high93.5Very high37 Ų3736.8 Ų36.823%0.22721%0.21CC..Hα-helixtrans-64.9-27.9175.851.30000112.9C29 A30 F37 S186 F189C29-T33 VanDerWaalsContact O-CB 3.3Å; C29-T33 WeakPolarHBondContact O-CB 3.1Å; C29-T33 WeakPolarHBondContact O-CG2 3.19Å; C29-T33 PolarHBondContact O-N 2.79Å; C29-T33 PolarHBondContact O-OG1 3.27Å; A30-T33 PolarHBondContact O-OG1 2.67Å; A30-T33 VanDerWaalsContact O-OG1 3.07Å; T33-F37 WeakPolarHBondContact O-CB 2.91Å; T33-F37 PolarHBondContact O-N 2.98Å; T33-S186 WeakPolarHBondContact OG1-CA 3.49Å; T33-S186 WeakPolarHBondContact OG1-CB 3.34Å; T33-F189 HydrophobicContact CG2-CD2 4.37Å; T33-F189 HydrophobicContact CG2-CE2 4.15Å
34T93.8Very high93.4Very high0 Ų040.3 Ų40.30%023%0.225CC..Hα-helixtrans-77.3-40.7173.2-64.90000112.6A30 F31 A32 Y62 F64 A90 Y93 V94 W146 S186A30-T34 PolarHBondContact O-N 2.91Å; A30-T34 PolarHBondContact O-OG1 3.24Å; F31-T34 PolarHBondContact O-N 3.42Å; A32-T34 VanDerWaalsContact C-N 3.25Å; A32-T34 PolarHBondContact O-N 3.01Å; T34-Y62 HydrophobicContact CG2-CD2 4.24Å; T34-Y62 HydrophobicContact CG2-CE2 4.44Å; T34-F64 HydrophobicContact CG2-CE2 4.05Å; T34-A90 HydrophobicContact CG2-CB 4.45Å; T34-Y93 HydrophobicContact CG2-CD1 4.35Å; T34-V94 HydrophobicContact CG2-CG2 3.84Å; T34-W146 HydrophobicContact CG2-CH2 4.32Å; T34-W146 HydrophobicContact CG2-CZ2 3.69Å; T34-W146 PolarHBondContact OG1-NE1 3.29Å; T34-S186 VanDerWaalsContact OG1-CB 3.22Å; T34-S186 WeakPolarHBondContact OG1-CB 3.07Å; T34-S186 PolarHBondContact OG1-OG 2.93Å
35C94.5Very high93.2Very high50 Ų5040.1 Ų40.134%0.33822%0.222SC..Hα-helixtrans-72.5-41.3-179.8-710000113.2F31 A32 F37 Y62 V94F31-C35 PolarHBondContact O-N 3.08Å; F31-C35 PolarHBondContact O-SG 3.47Å; F31-C35 VanDerWaalsContact O-SG 3.36Å; A32-C35 PolarHBondContact O-N 2.89Å; C35-F37 VanDerWaalsContact C-N 3.29Å; C35-Y62 WeakPolarHBondContact O-CB 3.36Å; C35-V94 VanDerWaalsContact SG-CG2 3.55Å
36D94.1Very high92.9Very high139 Ų13936 Ų3674%0.74320%0.201SC*.SBendtrans-83.5-7.6-177.6-168.159000112.7A32 S38A32-D36 VanDerWaalsContact O-CB 3.27Å; A32-D36 WeakPolarHBondContact O-CB 3.2Å; A32-D36 PolarHBondContact O-N 3.2Å; D36-S38 PolarHBondContact O-N 2.87Å; D36-S38 VanDerWaalsContact O-N 3.08Å
37F93.5Very high92.4Very high14 Ų1435.7 Ų35.76%0.06120%0.202CC..  trans-61.1120.4179.8-177.1-93.3000111.2T33 C35 T39 F64 F153 T179 L183T33-F37 WeakPolarHBondContact O-CB 2.91Å; T33-F37 PolarHBondContact O-N 2.98Å; C35-F37 VanDerWaalsContact C-N 3.29Å; F37-T39 HydrophobicContact CE1-CG2 3.54Å; F37-T39 HydrophobicContact CZ-CG2 3.7Å; F37-F64 HydrophobicContact CB-CZ 4.17Å; F37-F64 AromaticContact CD1-CE1 3.49Å; F37-F64 HydrophobicContact CD1-CE1 3.49Å; F37-F64 VanDerWaalsContact CD1-CE1 3.49Å; F37-F64 AromaticContact CD1-CZ 3.89Å; F37-F64 HydrophobicContact CD1-CZ 3.89Å; F37-F64 HydrophobicContact CE1-CE1 4.01Å; F37-F64 HydrophobicContact CG-CE1 4.37Å; F37-F64 HydrophobicContact CG-CZ 4.37Å; F37-F153 HydrophobicContact CE1-CE1 4.28Å; F37-F153 HydrophobicContact CE1-CZ 4.48Å; F37-T179 WeakPolarHBondContact CE2-O 3.43Å; F37-T179 VanDerWaalsContact CZ-O 3.3Å; F37-T179 WeakPolarHBondContact CZ-O 3.31Å; F37-L183 HydrophobicContact CB-CD2 4.2Å; F37-L183 HydrophobicContact CD1-CD1 4.33Å; F37-L183 HydrophobicContact CD1-CD2 3.81Å; F37-L183 HydrophobicContact CD1-CG 4Å; F37-L183 HydrophobicContact CD2-CD2 3.99Å; F37-L183 HydrophobicContact CD2-CG 3.78Å; F37-L183 HydrophobicContact CE1-CD1 3.78Å; F37-L183 HydrophobicContact CE1-CD2 4.1Å; F37-L183 HydrophobicContact CE1-CG 3.81Å; F37-L183 HydrophobicContact CE2-CB 4.49Å; F37-L183 HydrophobicContact CE2-CD1 4.27Å; F37-L183 HydrophobicContact CE2-CD2 4.32Å; F37-L183 HydrophobicContact CE2-CG 3.63Å; F37-L183 HydrophobicContact CG-CD2 3.71Å; F37-L183 HydrophobicContact CG-CG 3.94Å; F37-L183 HydrophobicContact CZ-CD1 3.74Å; F37-L183 HydrophobicContact CZ-CD2 4.35Å; F37-L183 HydrophobicContact CZ-CG 3.61Å
38S92.4Very high91.5Very high53 Ų5343.4 Ų43.437%0.37124%0.237SC..EExtended strand (participates in β ladder)trans-136.9134170.7-163.80000110.4D36 K59 F60D36-S38 PolarHBondContact O-N 2.87Å; D36-S38 VanDerWaalsContact O-N 3.08Å; S38-K59 WeakPolarHBondContact OG-CE 3.44Å; S38-F60 WeakPolarHBondContact CA-O 3.44Å
39T92.3Very high90.3Very high7 Ų744.2 Ų44.24%0.04326%0.261CS..EExtended strand (participates in β ladder)trans-141.4145.7178.2-164.60000109.7F37 F60 A178 T179F37-T39 HydrophobicContact CE1-CG2 3.54Å; F37-T39 HydrophobicContact CZ-CG2 3.7Å; T39-F60 HydrophobicContact CG2-CB 3.95Å; T39-F60 HydrophobicContact CG2-CD2 4.13Å; T39-F60 PolarHBondContact N-O 3Å; T39-F60 PolarHBondContact O-N 2.78Å; T39-A178 HydrophobicContact CG2-CB 3.99Å; T39-A178 VanDerWaalsContact OG1-CA 3.27Å; T39-A178 WeakPolarHBondContact OG1-CA 3.48Å; T39-T179 PolarHBondContact OG1-N 3.28Å; T39-T179 VanDerWaalsContact OG1-N 3.14Å; T39-T179 PolarHBondContact OG1-O 2.96Å
40S91.3Very high89Confident32 Ų3246.5 Ų46.522%0.22427%0.27CS..EExtended strand (participates in β ladder)trans-120.3139.8178.7-57.50000109.8A58 E176S40-A58 CarbonylContact C-O 3.6Å; S40-A58 WeakPolarHBondContact CA-O 3.37Å; S40-E176 WeakPolarHBondContact CB-OE1 3.4Å
41V92.2Very high88Confident0 Ų050.4 Ų50.40%031%0.31CS..EExtended strand (participates in β ladder)trans-116.3130.3172.1176.20000107.4L43 W56 G57 A58 F60 V159 I162 E176 A178V41-L43 HydrophobicContact CG1-CD2 4.12Å; V41-L43 HydrophobicContact CG1-CG 4.12Å; V41-W56 HydrophobicContact CG1-CZ3 4.44Å; V41-G57 CarbonylContact O-C 3.59Å; V41-G57 WeakPolarHBondContact O-CA 3.46Å; V41-A58 PolarHBondContact N-O 2.87Å; V41-A58 PolarHBondContact O-N 2.9Å; V41-F60 HydrophobicContact CB-CE2 4.02Å; V41-F60 HydrophobicContact CG2-CD2 4.24Å; V41-F60 HydrophobicContact CG2-CE2 3.67Å; V41-V159 HydrophobicContact CG1-CG2 4.03Å; V41-I162 HydrophobicContact CG1-CD1 4.12Å; V41-E176 WeakPolarHBondContact CA-O 3.27Å; V41-A178 HydrophobicContact CG2-CB 3.54Å
42K92.4Very high87.3Confident100 Ų10052.1 Ų52.144%0.43533%0.326SS..EExtended strand (participates in β ladder)trans-125.6131.7173.6-63.3179.9-176.1139.40109.6W56 A174 T175 E176K42-W56 CarbonylContact C-O 3.6Å; K42-W56 WeakPolarHBondContact CA-O 3.4Å; K42-A174 CarbonylContact O-C 3.53Å; K42-T175 PolarHBondContact O-N 3.43Å; K42-E176 HydrophobicContact CB-CB 3.75Å; K42-E176 HydrophobicContact CD-CB 4.23Å; K42-E176 WeakPolarHBondContact CD-OE2 3.06Å; K42-E176 WeakPolarHBondContact CE-OE2 3.36Å; K42-E176 HydrophobicContact CG-CB 3.98Å; K42-E176 PolarHBondContact N-O 3.15Å; K42-E176 IonicContact NZ-OE2 3.29Å; K42-E176 PolarHBondContact NZ-OE2 2.84Å; K42-E176 PolarHBondContact O-N 2.87Å; K42-E176 VanDerWaalsContact O-N 3.08Å
43L90.3Very high86.6Confident1 Ų156.5 Ų56.51%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-123141.3-176.3-59175.3000109.7V41 N55 W56 V159 I162 E173V41-L43 HydrophobicContact CG1-CD2 4.12Å; V41-L43 HydrophobicContact CG1-CG 4.12Å; L43-N55 CarbonylContact O-C 3.53Å; L43-N55 WeakPolarHBondContact O-CA 3.49Å; L43-W56 HydrophobicContact CB-CE3 4.33Å; L43-W56 HydrophobicContact CD1-CE3 3.6Å; L43-W56 HydrophobicContact CD1-CZ3 3.72Å; L43-W56 HydrophobicContact CG-CE3 3.97Å; L43-W56 HydrophobicContact CG-CZ3 4.28Å; L43-W56 PolarHBondContact N-O 3.18Å; L43-W56 PolarHBondContact O-N 3.29Å; L43-V159 HydrophobicContact CD2-CB 4.15Å; L43-V159 HydrophobicContact CD2-CG1 3.28Å; L43-V159 HydrophobicContact CD2-CG2 4.08Å; L43-I162 HydrophobicContact CD1-CB 3.9Å; L43-I162 HydrophobicContact CD1-CG2 3.33Å; L43-E173 WeakPolarHBondContact CA-O 3.44Å
44K90.1Very high86.2Confident75 Ų7556.7 Ų56.733%0.32634%0.335SS..EExtended strand (participates in β ladder)trans-112.2121.9166.8-82.2174-173.2178.50108.1Y53 T54 N55 C172 E173 T175K44-Y53 HydrophobicContact CB-CD1 4.26Å; K44-T54 WeakPolarHBondContact CA-O 3.42Å; K44-N55 WeakPolarHBondContact CE-OD1 3.42Å; K44-N55 WeakPolarHBondContact CG-OD1 3.26Å; K44-C172 CarbonylContact O-C 3.54Å; K44-C172 VanDerWaalsContact O-CA 3.3Å; K44-C172 WeakPolarHBondContact O-CA 2.89Å; K44-E173 PolarHBondContact N-O 3.15Å; K44-E173 PolarHBondContact O-N 3.3Å; K44-T175 VanDerWaalsContact CD-OG1 3.26Å; K44-T175 WeakPolarHBondContact CD-OG1 3.29Å; K44-T175 VanDerWaalsContact CE-OG1 3.26Å; K44-T175 WeakPolarHBondContact CE-OG1 3.42Å; K44-T175 WeakPolarHBondContact CG-OG1 3.39Å
45Y89.2Confident85.9Confident19 Ų1962.3 Ų62.38%0.07537%0.365CS..EExtended strand (participates in β ladder)trans-138.6160.4179.565.5-80.3000111.6C47 T54 W56 P72 V166 H171Y45-C47 WeakPolarHBondContact CE2-SG 3.38Å; Y45-T54 WeakPolarHBondContact CD1-O 3.4Å; Y45-T54 WeakPolarHBondContact CD2-OG1 3.45Å; Y45-T54 WeakPolarHBondContact CE1-OG1 3.41Å; Y45-T54 WeakPolarHBondContact CE2-OG1 3.43Å; Y45-T54 PolarHBondContact N-O 3.22Å; Y45-T54 PolarHBondContact O-N 3.43Å; Y45-T54 PolarHBondContact O-OG1 2.98Å; Y45-W56 HydrophobicContact CE1-CB 3.8Å; Y45-P72 HydrophobicContact CE1-CG 4.14Å; Y45-P72 VanDerWaalsContact OH-CB 3.27Å; Y45-P72 WeakPolarHBondContact OH-CB 3.49Å; Y45-P72 WeakPolarHBondContact OH-CG 3.02Å; Y45-V166 HydrophobicContact CD1-CG1 4.5Å; Y45-V166 HydrophobicContact CD2-CG1 3.57Å; Y45-V166 HydrophobicContact CE2-CG1 3.75Å; Y45-V166 HydrophobicContact CG-CG1 3.98Å; Y45-H171 WeakPolarHBondContact CA-O 2.95Å
46V87.7Confident85.7Confident14 Ų1461.4 Ų61.49%0.08536%0.355CS..  trans-123.5123.1179.4-177.10000109.4N50 Y53 N169 H171V46-N50 WeakPolarHBondContact CG1-O 3.3Å; V46-Y53 HydrophobicContact CG2-CD1 3.5Å; V46-Y53 HydrophobicContact CG2-CE1 3.59Å; V46-Y53 HydrophobicContact CG2-CG 4.07Å; V46-N169 PolarHBondContact O-N 3.37Å; V46-H171 PolarHBondContact N-O 3.49Å
47C84Confident85.5Confident26 Ų2657.1 Ų57.118%0.17634%0.344CS..  trans-96.5159.4174.1-60.30000111.5Y45 G49 N50 C74Y45-C47 WeakPolarHBondContact CE2-SG 3.38Å; C47-G49 PolarHBondContact O-N 3.48Å; C47-N50 PolarHBondContact O-N 2.8Å; C47-C74 WeakPolarHBondContact CA-SG 3.41Å; C47-C74 HydrophobicContact CB-CB 3.61Å; C47-C74 WeakPolarHBondContact CB-SG 3.41Å; C47-C74 WeakPolarHBondContact SG-CA 3.27Å; C47-C74 WeakPolarHBondContact SG-CB 3.47Å; C47-C74 CovalentContact SG-SG 2.04Å; C47-C74 PolarHBondContact SG-SG 3.13Å
48Q74.3Confident85.4Confident161 Ų16156.9 Ų56.975%0.75234%0.344SS*.THydrogen-bonded Turntrans-59.7134.5173.4-123.7173.3-37.600110.4N169Q48-N169 WeakPolarHBondContact CB-ND2 3.48Å; Q48-N169 WeakPolarHBondContact CG-ND2 3.37Å; Q48-N169 PolarHBondContact N-ND2 2.95Å; Q48-N169 PolarHBondContact OE1-ND2 3.32Å
49G71Confident85.4Confident78 Ų7861 Ų6180%0.80436%0.356SS*.THydrogen-bonded Turntrans96.8-26.2174.100000114.5C47C47-G49 PolarHBondContact O-N 3.48Å
50N66.8Low85.4Confident99 Ų9961 Ų6153%0.52936%0.355SS..  trans-111.697.9171.3-76.3-13.1000108.4V46 C47 S52V46-N50 WeakPolarHBondContact CG1-O 3.3Å; C47-N50 PolarHBondContact O-N 2.8Å; N50-S52 PolarHBondContact O-N 3.39Å
51G73.3Confident85.5Confident81 Ų8162.9 Ų62.984%0.83537%0.365SS*.  trans-64.74.917200000114
52S79.7Confident85.5Confident68 Ų6865.9 Ų65.948%0.47638%0.377SS..SBendtrans-94.2143.6175.659.40000111.3N50 T54N50-S52 PolarHBondContact O-N 3.39Å; S52-T54 PolarHBondContact O-N 2.9Å
53Y82Confident85.5Confident133 Ų13363.2 Ų63.252%0.52237%0.37SS..PPolyproline II helixtrans-67.9126.6171.1-70.2-84.5000110.5K44 V46K44-Y53 HydrophobicContact CB-CD1 4.26Å; V46-Y53 HydrophobicContact CG2-CD1 3.5Å; V46-Y53 HydrophobicContact CG2-CE1 3.59Å; V46-Y53 HydrophobicContact CG2-CG 4.07Å
54T85.4Confident85.5Confident40 Ų4063.3 Ų63.325%0.24537%0.37CS..EExtended strand (participates in β ladder)trans-95.2133.2167.550.10000109.7K44 Y45 S52K44-T54 WeakPolarHBondContact CA-O 3.42Å; Y45-T54 WeakPolarHBondContact CD1-O 3.4Å; Y45-T54 WeakPolarHBondContact CD2-OG1 3.45Å; Y45-T54 WeakPolarHBondContact CE1-OG1 3.41Å; Y45-T54 WeakPolarHBondContact CE2-OG1 3.43Å; Y45-T54 PolarHBondContact N-O 3.22Å; Y45-T54 PolarHBondContact O-N 3.43Å; Y45-T54 PolarHBondContact O-OG1 2.98Å; S52-T54 PolarHBondContact O-N 2.9Å
55N88.3Confident85.6Confident118 Ų11862.8 Ų62.863%0.63137%0.371SS*.EExtended strand (participates in β ladder)trans-95.5130.9175.3-61.1-61.7000109.4L43 K44L43-N55 CarbonylContact O-C 3.53Å; L43-N55 WeakPolarHBondContact O-CA 3.49Å; K44-N55 WeakPolarHBondContact CE-OD1 3.42Å; K44-N55 WeakPolarHBondContact CG-OD1 3.26Å
56W89.3Confident85.6Confident31 Ų3162 Ų6212%0.11737%0.368CS..EExtended strand (participates in β ladder)trans-123.8139.7167175.189.5000109.2V41 K42 L43 Y45 A58 I69 V70 L71 P72 M82 I162V41-W56 HydrophobicContact CG1-CZ3 4.44Å; K42-W56 CarbonylContact C-O 3.6Å; K42-W56 WeakPolarHBondContact CA-O 3.4Å; L43-W56 HydrophobicContact CB-CE3 4.33Å; L43-W56 HydrophobicContact CD1-CE3 3.6Å; L43-W56 HydrophobicContact CD1-CZ3 3.72Å; L43-W56 HydrophobicContact CG-CE3 3.97Å; L43-W56 HydrophobicContact CG-CZ3 4.28Å; L43-W56 PolarHBondContact N-O 3.18Å; L43-W56 PolarHBondContact O-N 3.29Å; Y45-W56 HydrophobicContact CE1-CB 3.8Å; W56-A58 HydrophobicContact CH2-CB 3.43Å; W56-A58 VanDerWaalsContact CH2-CB 3.43Å; W56-A58 HydrophobicContact CZ2-CB 3.61Å; W56-A58 HydrophobicContact CZ3-CB 3.99Å; W56-I69 HydrophobicContact CH2-CG2 4.47Å; W56-I69 HydrophobicContact CZ2-CG2 3.74Å; W56-V70 PolarHBondContact NE1-O 3.49Å; W56-L71 HydrophobicContact CD2-CD1 4.28Å; W56-L71 HydrophobicContact CE3-CD1 4.49Å; W56-L71 HydrophobicContact CH2-CD1 3.82Å; W56-L71 HydrophobicContact CZ2-CD1 3.58Å; W56-L71 HydrophobicContact CZ3-CD1 4.29Å; W56-P72 HydrophobicContact CB-CG 4.26Å; W56-P72 HydrophobicContact CG-CG 4.06Å; W56-M82 HydrophobicContact CH2-CE 3.99Å; W56-M82 HydrophobicContact CH2-SD 3.87Å; W56-M82 HydrophobicContact CZ2-SD 4.04Å; W56-I162 HydrophobicContact CH2-CD1 4.47Å; W56-I162 HydrophobicContact CH2-CG2 4.24Å; W56-I162 HydrophobicContact CZ3-CD1 4.3Å; W56-I162 HydrophobicContact CZ3-CG2 4.01Å
57G90.5Very high85.6Confident50 Ų5065.1 Ų65.152%0.51539%0.385SS..EExtended strand (participates in β ladder)trans-141.4135.6178.900000110.8V41V41-G57 CarbonylContact O-C 3.59Å; V41-G57 WeakPolarHBondContact O-CA 3.46Å
58A91.1Very high85.7Confident8 Ų867.7 Ų67.77%0.06640%0.403CS..EExtended strand (participates in β ladder)trans-128.9136.2175.400000109.9S40 V41 W56 F60 I69S40-A58 CarbonylContact C-O 3.6Å; S40-A58 WeakPolarHBondContact CA-O 3.37Å; V41-A58 PolarHBondContact N-O 2.87Å; V41-A58 PolarHBondContact O-N 2.9Å; W56-A58 HydrophobicContact CH2-CB 3.43Å; W56-A58 VanDerWaalsContact CH2-CB 3.43Å; W56-A58 HydrophobicContact CZ2-CB 3.61Å; W56-A58 HydrophobicContact CZ3-CB 3.99Å; A58-F60 HydrophobicContact CB-CE1 4.47Å; A58-F60 HydrophobicContact CB-CE2 4.17Å; A58-F60 HydrophobicContact CB-CZ 3.94Å; A58-I69 HydrophobicContact CB-CD1 4.28Å; A58-I69 HydrophobicContact CB-CG2 3.79Å
59K91.7Very high86.3Confident141 Ų14161.5 Ų61.561%0.61338%0.375SS*.EExtended strand (participates in β ladder)trans-103.2119.9172.8-175.7175.6180-179.70108.4S38S38-K59 WeakPolarHBondContact OG-CE 3.44Å
60F92.2Very high87Confident5 Ų560.8 Ų60.82%0.02236%0.355CS..EExtended strand (participates in β ladder)trans-97.9128.7174.8-53.3-79.8000109S38 T39 V41 A58 I66 I69 M82 F153 T157S38-F60 WeakPolarHBondContact CA-O 3.44Å; T39-F60 HydrophobicContact CG2-CB 3.95Å; T39-F60 HydrophobicContact CG2-CD2 4.13Å; T39-F60 PolarHBondContact N-O 3Å; T39-F60 PolarHBondContact O-N 2.78Å; V41-F60 HydrophobicContact CB-CE2 4.02Å; V41-F60 HydrophobicContact CG2-CD2 4.24Å; V41-F60 HydrophobicContact CG2-CE2 3.67Å; A58-F60 HydrophobicContact CB-CE1 4.47Å; A58-F60 HydrophobicContact CB-CE2 4.17Å; A58-F60 HydrophobicContact CB-CZ 3.94Å; F60-I66 HydrophobicContact CD1-CD1 4.36Å; F60-I66 HydrophobicContact CD1-CG1 4.03Å; F60-I66 HydrophobicContact CD1-CG2 4.3Å; F60-I66 HydrophobicContact CE1-CB 4.47Å; F60-I66 HydrophobicContact CE1-CD1 4.38Å; F60-I66 HydrophobicContact CE1-CG1 4.23Å; F60-I66 HydrophobicContact CE1-CG2 3.69Å; F60-I69 HydrophobicContact CD1-CD1 3.58Å; F60-I69 HydrophobicContact CE1-CD1 3.44Å; F60-I69 VanDerWaalsContact CE1-CD1 3.44Å; F60-I69 HydrophobicContact CZ-CD1 4.36Å; F60-M82 HydrophobicContact CE1-SD 4.27Å; F60-M82 HydrophobicContact CZ-SD 4.25Å; F60-F153 HydrophobicContact CB-CE2 4.16Å; F60-F153 HydrophobicContact CB-CZ 3.71Å; F60-F153 HydrophobicContact CD1-CE2 4.33Å; F60-F153 HydrophobicContact CD1-CZ 4.43Å; F60-F153 HydrophobicContact CG-CE2 4.36Å; F60-F153 HydrophobicContact CG-CZ 4.02Å; F60-T157 HydrophobicContact CD1-CG2 4.06Å; F60-T157 HydrophobicContact CD2-CG2 4.15Å; F60-T157 HydrophobicContact CE1-CG2 3.83Å; F60-T157 HydrophobicContact CE2-CG2 3.93Å; F60-T157 HydrophobicContact CG-CG2 4.21Å; F60-T157 HydrophobicContact CZ-CG2 3.76Å
61T93.4Very high87.9Confident72 Ų7256.3 Ų56.344%0.44233%0.331SS..EExtended strand (participates in β ladder)trans-142.7162.1-178.4-170.70000109.2F64T61-F64 WeakPolarHBondContact O-CA 3.27Å; T61-F64 PolarHBondContact O-N 3.5Å
62Y92Very high88.3Confident63 Ų6354 Ų5425%0.24730%0.301CS..THydrogen-bonded Turntrans-53132.5166.8-177.4-91.6000110.2T34 C35 F64 A90 Q91 V94T34-Y62 HydrophobicContact CG2-CD2 4.24Å; T34-Y62 HydrophobicContact CG2-CE2 4.44Å; C35-Y62 WeakPolarHBondContact O-CB 3.36Å; Y62-F64 HydrophobicContact CD2-CD2 4.2Å; Y62-F64 AromaticContact CD2-CE2 3.84Å; Y62-F64 HydrophobicContact CD2-CE2 3.84Å; Y62-A90 HydrophobicContact CD2-CB 4.27Å; Y62-A90 HydrophobicContact CE2-CB 3.95Å; Y62-Q91 WeakPolarHBondContact OH-CA 3.38Å; Y62-Q91 VanDerWaalsContact OH-CG 3.3Å; Y62-Q91 WeakPolarHBondContact OH-CG 3.4Å; Y62-V94 HydrophobicContact CE2-CG2 3.84Å
63P92.9Very high88.4Confident45 Ų4553.2 Ų53.229%0.29229%0.289SS..THydrogen-bonded Turncis-96.833.214.539.7-37.8000114.4N65 A87 Q91P63-N65 VanDerWaalsContact C-N 3.29Å; P63-N65 PolarHBondContact O-N 3.35Å; P63-A87 HydrophobicContact CB-CB 3.91Å; P63-A87 HydrophobicContact CG-CB 4.28Å; P63-A87 WeakPolarHBondContact O-CA 3.42Å; P63-A87 WeakPolarHBondContact O-CB 3.47Å; P63-A87 PolarHBondContact O-N 2.95Å; P63-Q91 HydrophobicContact CB-CG 4.37Å
64F90.9Very high88.4Confident2 Ų248.1 Ų48.11%0.00927%0.273CS..  trans5935.2174.4-49.8-83.5000114.8T34 F37 T61 Y62 I66 F86 A90 W146 F153 L183T34-F64 HydrophobicContact CG2-CE2 4.05Å; F37-F64 HydrophobicContact CB-CZ 4.17Å; F37-F64 AromaticContact CD1-CE1 3.49Å; F37-F64 HydrophobicContact CD1-CE1 3.49Å; F37-F64 VanDerWaalsContact CD1-CE1 3.49Å; F37-F64 AromaticContact CD1-CZ 3.89Å; F37-F64 HydrophobicContact CD1-CZ 3.89Å; F37-F64 HydrophobicContact CE1-CE1 4.01Å; F37-F64 HydrophobicContact CG-CE1 4.37Å; F37-F64 HydrophobicContact CG-CZ 4.37Å; T61-F64 WeakPolarHBondContact O-CA 3.27Å; T61-F64 PolarHBondContact O-N 3.5Å; Y62-F64 HydrophobicContact CD2-CD2 4.2Å; Y62-F64 AromaticContact CD2-CE2 3.84Å; Y62-F64 HydrophobicContact CD2-CE2 3.84Å; F64-I66 PolarHBondContact O-N 2.97Å; F64-I66 VanDerWaalsContact O-N 3.15Å; F64-F86 HydrophobicContact CB-CB 3.98Å; F64-F86 PolarHBondContact O-N 3.43Å; F64-A90 HydrophobicContact CD2-CB 3.57Å; F64-A90 HydrophobicContact CE2-CB 3.95Å; F64-W146 HydrophobicContact CD1-CH2 4.49Å; F64-W146 AromaticContact CD2-CH2 3.62Å; F64-W146 HydrophobicContact CD2-CH2 3.62Å; F64-W146 HydrophobicContact CD2-CZ3 4.15Å; F64-W146 HydrophobicContact CE1-CH2 4.26Å; F64-W146 AromaticContact CE2-CH2 3.36Å; F64-W146 HydrophobicContact CE2-CH2 3.36Å; F64-W146 AromaticContact CE2-CZ2 3.93Å; F64-W146 HydrophobicContact CE2-CZ2 3.93Å; F64-W146 HydrophobicContact CE2-CZ3 4.27Å; F64-W146 HydrophobicContact CG-CH2 4.19Å; F64-W146 AromaticContact CZ-CH2 3.73Å; F64-W146 HydrophobicContact CZ-CH2 3.73Å; F64-W146 HydrophobicContact CZ-CZ2 4.09Å; F64-F153 HydrophobicContact CB-CD2 4.36Å; F64-F153 HydrophobicContact CB-CE2 4.41Å; F64-F153 AromaticContact CD1-CD2 3.96Å; F64-F153 HydrophobicContact CD1-CD2 3.96Å; F64-F153 AromaticContact CD1-CE2 3.63Å; F64-F153 HydrophobicContact CD1-CE2 3.63Å; F64-F153 HydrophobicContact CD1-CZ 4.01Å; F64-F153 HydrophobicContact CE1-CE2 4.45Å; F64-F153 HydrophobicContact CE1-CZ 4.42Å; F64-F153 HydrophobicContact CG-CE2 4.5Å; F64-L183 HydrophobicContact CE1-CD1 4.48Å; F64-L183 HydrophobicContact CE1-CD2 3.78Å; F64-L183 HydrophobicContact CZ-CD2 3.62Å
65N90.8Very high88Confident65 Ų6551.2 Ų51.235%0.34829%0.288SS..BIsolated β-bridgetrans-8483173.4-173.45.8000110.5P63 D67 S68P63-N65 VanDerWaalsContact C-N 3.29Å; P63-N65 PolarHBondContact O-N 3.35Å; N65-D67 VanDerWaalsContact C-N 3.31Å; N65-S68 PolarHBondContact O-OG 3.35Å
66I89.4Confident87.2Confident2 Ų247.6 Ų47.61%0.0128%0.275CS..G310 helixtrans-74.6-23.7-176.1-50.3179.9000112F60 F64 S68 I69 M82 G84 F86 F153 T157F60-I66 HydrophobicContact CD1-CD1 4.36Å; F60-I66 HydrophobicContact CD1-CG1 4.03Å; F60-I66 HydrophobicContact CD1-CG2 4.3Å; F60-I66 HydrophobicContact CE1-CB 4.47Å; F60-I66 HydrophobicContact CE1-CD1 4.38Å; F60-I66 HydrophobicContact CE1-CG1 4.23Å; F60-I66 HydrophobicContact CE1-CG2 3.69Å; F64-I66 PolarHBondContact O-N 2.97Å; F64-I66 VanDerWaalsContact O-N 3.15Å; I66-S68 PolarHBondContact O-N 2.96Å; I66-S68 VanDerWaalsContact O-N 3.13Å; I66-I69 HydrophobicContact CG2-CD1 4.43Å; I66-I69 WeakPolarHBondContact O-CB 3.49Å; I66-I69 PolarHBondContact O-N 3.1Å; I66-M82 HydrophobicContact CG2-CB 3.5Å; I66-M82 VanDerWaalsContact CG2-CB 3.5Å; I66-M82 HydrophobicContact CG2-CG 4.25Å; I66-M82 HydrophobicContact CG2-SD 3.82Å; I66-G84 WeakPolarHBondContact CB-O 3.46Å; I66-G84 PolarHBondContact N-O 3.15Å; I66-F86 HydrophobicContact CD1-CD2 3.8Å; I66-F86 HydrophobicContact CD1-CE2 3.66Å; I66-F86 HydrophobicContact CG1-CD2 4.25Å; I66-F86 HydrophobicContact CG1-CE2 4.43Å; I66-F153 HydrophobicContact CD1-CD2 3.41Å; I66-F153 VanDerWaalsContact CD1-CD2 3.41Å; I66-F153 HydrophobicContact CD1-CE2 3.47Å; I66-F153 VanDerWaalsContact CD1-CE2 3.47Å; I66-F153 HydrophobicContact CD1-CG 4.45Å; I66-F153 HydrophobicContact CG1-CD2 4.19Å; I66-F153 HydrophobicContact CG1-CE2 3.95Å; I66-T157 HydrophobicContact CD1-CG2 3.78Å
67D87.9Confident86.2Confident80 Ų8051.7 Ų51.743%0.42832%0.315SS..G310 helixtrans-59.3-25.9178.8-16621.7000113.4N65 I69 H81 M82 G84N65-D67 VanDerWaalsContact C-N 3.31Å; D67-I69 PolarHBondContact O-N 3.33Å; D67-H81 PolarHBondContact O-ND1 3.03Å; D67-M82 VanDerWaalsContact CA-O 3.28Å; D67-M82 WeakPolarHBondContact CA-O 3.28Å; D67-G84 PolarHBondContact N-O 3.43Å
68S85.7Confident85.5Confident80 Ų8057 Ų5756%0.55933%0.327SS*.G310 helixtrans-69.9-15.9173.966.40000114.4N65 I66N65-S68 PolarHBondContact O-OG 3.35Å; I66-S68 PolarHBondContact O-N 2.96Å; I66-S68 VanDerWaalsContact O-N 3.13Å
69I87.2Confident84.9Confident31 Ų3159.6 Ų59.616%0.15934%0.344CS..SBendtrans-90.3124-174.9-61.6166.1000109.4W56 A58 F60 I66 D67 M82W56-I69 HydrophobicContact CH2-CG2 4.47Å; W56-I69 HydrophobicContact CZ2-CG2 3.74Å; A58-I69 HydrophobicContact CB-CD1 4.28Å; A58-I69 HydrophobicContact CB-CG2 3.79Å; F60-I69 HydrophobicContact CD1-CD1 3.58Å; F60-I69 HydrophobicContact CE1-CD1 3.44Å; F60-I69 VanDerWaalsContact CE1-CD1 3.44Å; F60-I69 HydrophobicContact CZ-CD1 4.36Å; I66-I69 HydrophobicContact CG2-CD1 4.43Å; I66-I69 WeakPolarHBondContact O-CB 3.49Å; I66-I69 PolarHBondContact O-N 3.1Å; D67-I69 PolarHBondContact O-N 3.33Å; I69-M82 HydrophobicContact CB-CG 4.49Å; I69-M82 HydrophobicContact CB-SD 4.21Å; I69-M82 HydrophobicContact CG2-CG 4.43Å; I69-M82 HydrophobicContact CG2-SD 3.87Å; I69-M82 PolarHBondContact O-N 2.88Å; I69-M82 VanDerWaalsContact O-N 3.09Å
70V86.8Confident84.5Confident63 Ų6357.3 Ų57.338%0.38233%0.334SS..EExtended strand (participates in β ladder)trans-87.7122.3-178.8177.10000110.1W56 S79W56-V70 PolarHBondContact NE1-O 3.49Å; V70-S79 WeakPolarHBondContact CG1-OG 3.4Å
71L85.8Confident84.2Confident5 Ų562 Ų623%0.02636%0.356CS..EExtended strand (participates in β ladder)trans-97.8122.8175.7-166.472.9000110.2W56 S79 K80 M82 I162 E165 V166W56-L71 HydrophobicContact CD2-CD1 4.28Å; W56-L71 HydrophobicContact CE3-CD1 4.49Å; W56-L71 HydrophobicContact CH2-CD1 3.82Å; W56-L71 HydrophobicContact CZ2-CD1 3.58Å; W56-L71 HydrophobicContact CZ3-CD1 4.29Å; L71-S79 WeakPolarHBondContact O-CA 3.38Å; L71-K80 WeakPolarHBondContact CA-O 3.26Å; L71-K80 VanDerWaalsContact CB-O 3.26Å; L71-K80 WeakPolarHBondContact CB-O 3.13Å; L71-K80 PolarHBondContact N-O 3.22Å; L71-K80 PolarHBondContact O-N 3.28Å; L71-M82 HydrophobicContact CB-CG 4.07Å; L71-M82 HydrophobicContact CD1-CE 4.25Å; L71-I162 HydrophobicContact CD1-CG2 3.41Å; L71-I162 VanDerWaalsContact CD1-CG2 3.41Å; L71-I162 HydrophobicContact CD2-CG2 4.29Å; L71-I162 HydrophobicContact CG-CG2 4.5Å; L71-E165 HydrophobicContact CD2-CB 3.59Å; L71-V166 HydrophobicContact CD1-CG2 3.84Å; L71-V166 HydrophobicContact CD2-CG2 3.96Å; L71-V166 HydrophobicContact CG-CG2 3.86Å
72P81.9Confident83.7Confident31 Ų3159.4 Ų59.420%0.20134%0.339CS..PPolyproline II helixtrans-68.3141.5174.628.3-33.8000110.3Y45 W56Y45-P72 HydrophobicContact CE1-CG 4.14Å; Y45-P72 VanDerWaalsContact OH-CB 3.27Å; Y45-P72 WeakPolarHBondContact OH-CB 3.49Å; Y45-P72 WeakPolarHBondContact OH-CG 3.02Å; W56-P72 HydrophobicContact CB-CG 4.26Å; W56-P72 HydrophobicContact CG-CG 4.06Å
73Q81.6Confident83.3Confident52 Ų5264.4 Ų64.424%0.24336%0.359CS..  trans-113.5132.9174.7-59.2-156.2-6100109.4N75 A76 K80Q73-N75 VanDerWaalsContact C-N 3.31Å; Q73-N75 PolarHBondContact O-N 3.46Å; Q73-A76 HydrophobicContact CB-CB 3.97Å; Q73-A76 VanDerWaalsContact OE1-CB 3.3Å; Q73-K80 HydrophobicContact CG-CB 3.96Å
74C80.8Confident82.8Confident27 Ų2762.8 Ų62.818%0.18235%0.351CS..SBendtrans-71-27.5177.8-73.30000113.3C47 V166C47-C74 WeakPolarHBondContact CA-SG 3.41Å; C47-C74 HydrophobicContact CB-CB 3.61Å; C47-C74 WeakPolarHBondContact CB-SG 3.41Å; C47-C74 WeakPolarHBondContact SG-CA 3.27Å; C47-C74 WeakPolarHBondContact SG-CB 3.47Å; C47-C74 CovalentContact SG-SG 2.04Å; C47-C74 PolarHBondContact SG-SG 3.13Å; C74-V166 PolarHBondContact N-O 3.4Å; C74-V166 VanDerWaalsContact N-O 3.14Å
75N76.8Confident82.8Confident104 Ų10467 Ų6756%0.55637%0.373SS*.SBendtrans-111.64.2-170-63.1-13.4000113.7Q73Q73-N75 VanDerWaalsContact C-N 3.31Å; Q73-N75 PolarHBondContact O-N 3.46Å
76A73.1Confident82.9Confident43 Ų4364.3 Ų64.336%0.35536%0.358SS..  trans-129.8141.5178.600000109.6Q73 E78Q73-A76 HydrophobicContact CB-CB 3.97Å; Q73-A76 VanDerWaalsContact OE1-CB 3.3Å; A76-E78 PolarHBondContact O-N 2.9Å
77A68.1Low83.1Confident117 Ų11764.6 Ų64.697%0.96736%0.361SS*.SBendtrans-68.6-2417700000112.1
78E75.4Confident83.4Confident162 Ų16264.3 Ų64.376%0.75737%0.37SS*.SBendtrans-101.3135.5179-65.8-174.6173.700111A76A76-E78 PolarHBondContact O-N 2.9Å
79S77.9Confident83.9Confident62 Ų6261.1 Ų61.143%0.43435%0.348SS..PPolyproline II helixtrans-73.1141.2171.557.10000110.8V70 L71V70-S79 WeakPolarHBondContact CG1-OG 3.4Å; L71-S79 WeakPolarHBondContact O-CA 3.38Å
80K84.3Confident84.3Confident92 Ų9259.6 Ų59.640%0.434%0.341SS..EExtended strand (participates in β ladder)trans-99.4134.4-176.1-176.7-179.9172.9-170.10110.2L71 Q73 E165L71-K80 WeakPolarHBondContact CA-O 3.26Å; L71-K80 VanDerWaalsContact CB-O 3.26Å; L71-K80 WeakPolarHBondContact CB-O 3.13Å; L71-K80 PolarHBondContact N-O 3.22Å; L71-K80 PolarHBondContact O-N 3.28Å; Q73-K80 HydrophobicContact CG-CB 3.96Å; K80-E165 IonicContact NZ-OE2 3.55Å; K80-E165 PolarHBondContact NZ-OE2 3.44Å
81H85.8Confident84.8Confident105 Ų10561.2 Ų61.249%0.48634%0.344SS..EExtended strand (participates in β ladder)trans-67.3139.5170.6-73.2-92.2000110.8D67D67-H81 PolarHBondContact O-ND1 3.03Å
82M83.7Confident85.3Confident16 Ų1664.4 Ų64.48%0.07936%0.358CS..PPolyproline II helixtrans-69.3141.5176.5-65.6-169.999.500110.5W56 F60 I66 D67 I69 L71 G84 I162W56-M82 HydrophobicContact CH2-CE 3.99Å; W56-M82 HydrophobicContact CH2-SD 3.87Å; W56-M82 HydrophobicContact CZ2-SD 4.04Å; F60-M82 HydrophobicContact CE1-SD 4.27Å; F60-M82 HydrophobicContact CZ-SD 4.25Å; I66-M82 HydrophobicContact CG2-CB 3.5Å; I66-M82 VanDerWaalsContact CG2-CB 3.5Å; I66-M82 HydrophobicContact CG2-CG 4.25Å; I66-M82 HydrophobicContact CG2-SD 3.82Å; D67-M82 VanDerWaalsContact CA-O 3.28Å; D67-M82 WeakPolarHBondContact CA-O 3.28Å; I69-M82 HydrophobicContact CB-CG 4.49Å; I69-M82 HydrophobicContact CB-SD 4.21Å; I69-M82 HydrophobicContact CG2-CG 4.43Å; I69-M82 HydrophobicContact CG2-SD 3.87Å; I69-M82 PolarHBondContact O-N 2.88Å; I69-M82 VanDerWaalsContact O-N 3.09Å; L71-M82 HydrophobicContact CB-CG 4.07Å; L71-M82 HydrophobicContact CD1-CE 4.25Å; M82-G84 PolarHBondContact O-N 3.21Å; M82-I162 HydrophobicContact CE-CB 4.42Å; M82-I162 HydrophobicContact CE-CD1 3.78Å; M82-I162 HydrophobicContact CE-CG1 3.6Å; M82-I162 HydrophobicContact CE-CG2 4.02Å
83Y81.8Confident86Confident168 Ų16863 Ų6366%0.65935%0.348SS*.SBendtrans-81.2125.6-176.7-172.7-91.8000111.7Y156Y83-Y156 AromaticContact CD1-CE1 3.7Å; Y83-Y156 HydrophobicContact CD1-CE1 3.7Å; Y83-Y156 HydrophobicContact CD1-CE2 4.2Å; Y83-Y156 AromaticContact CD1-CZ 3.52Å; Y83-Y156 WeakPolarHBondContact CD1-OH 3.49Å; Y83-Y156 WeakPolarHBondContact CE1-OH 3.47Å; Y83-Y156 HydrophobicContact CG-CE1 4.36Å
84G83Confident86.7Confident12 Ų1261.3 Ų61.312%0.12434%0.342CS..  trans126.9127.7165.400000113.7I66 D67 M82I66-G84 WeakPolarHBondContact CB-O 3.46Å; I66-G84 PolarHBondContact N-O 3.15Å; D67-G84 PolarHBondContact N-O 3.43Å; M82-G84 PolarHBondContact O-N 3.21Å
85N90.5Very high87.5Confident91 Ų9166 Ų6649%0.48736%0.359SS..BIsolated β-bridgetrans-115.9105167.7-175.9-5.7000109A87N85-A87 WeakPolarHBondContact OD1-CB 3.11Å; N85-A87 PolarHBondContact OD1-N 3.32Å; N85-A87 VanDerWaalsContact OD1-N 3.1Å
86F93.1Very high88.4Confident7 Ų761.1 Ų61.13%0.03133%0.333CS..  trans-97.48.3-177.4-54.7-70.5000112.8F64 I66 A88 A90 N149 Q152 F153 Y156F64-F86 HydrophobicContact CB-CB 3.98Å; F64-F86 PolarHBondContact O-N 3.43Å; I66-F86 HydrophobicContact CD1-CD2 3.8Å; I66-F86 HydrophobicContact CD1-CE2 3.66Å; I66-F86 HydrophobicContact CG1-CD2 4.25Å; I66-F86 HydrophobicContact CG1-CE2 4.43Å; F86-A88 PolarHBondContact O-N 2.92Å; F86-A90 PolarHBondContact O-N 3.16Å; F86-N149 HydrophobicContact CB-CB 4.32Å; F86-N149 HydrophobicContact CD1-CB 3.93Å; F86-N149 HydrophobicContact CG-CB 4.49Å; F86-Q152 HydrophobicContact CD1-CB 4.42Å; F86-Q152 HydrophobicContact CE1-CB 3.5Å; F86-Q152 VanDerWaalsContact CE1-CB 3.5Å; F86-Q152 HydrophobicContact CE1-CG 4.48Å; F86-Q152 HydrophobicContact CZ-CB 3.84Å; F86-F153 HydrophobicContact CD2-CB 4.18Å; F86-F153 AromaticContact CD2-CD2 3.98Å; F86-F153 HydrophobicContact CD2-CD2 3.98Å; F86-F153 HydrophobicContact CE2-CB 4.35Å; F86-F153 HydrophobicContact CE2-CD2 4.46Å; F86-Y156 HydrophobicContact CE2-CD2 4.3Å; F86-Y156 AromaticContact CZ-CD2 3.69Å; F86-Y156 HydrophobicContact CZ-CD2 3.69Å; F86-Y156 HydrophobicContact CZ-CE2 4.1Å
87A94.7Very high89.4Confident9 Ų959 Ų597%0.07432%0.316CS..Hα-helixtrans-62-43.5-175.500000114P63 N85 A89 A90 Q91P63-A87 HydrophobicContact CB-CB 3.91Å; P63-A87 HydrophobicContact CG-CB 4.28Å; P63-A87 WeakPolarHBondContact O-CA 3.42Å; P63-A87 WeakPolarHBondContact O-CB 3.47Å; P63-A87 PolarHBondContact O-N 2.95Å; N85-A87 WeakPolarHBondContact OD1-CB 3.11Å; N85-A87 PolarHBondContact OD1-N 3.32Å; N85-A87 VanDerWaalsContact OD1-N 3.1Å; A87-A89 PolarHBondContact O-N 3.38Å; A87-A90 PolarHBondContact O-N 3.39Å; A87-Q91 VanDerWaalsContact O-CB 3.28Å; A87-Q91 WeakPolarHBondContact O-CB 3.27Å; A87-Q91 VanDerWaalsContact O-CG 3.23Å; A87-Q91 WeakPolarHBondContact O-CG 3.35Å; A87-Q91 PolarHBondContact O-N 3.29Å
88A94.5Very high90.8Very high74 Ų7456.1 Ų56.161%0.61229%0.286SS*.Hα-helixtrans-59.4-45.8-175.300000112.1F86 F92F86-A88 PolarHBondContact O-N 2.92Å; A88-F92 VanDerWaalsContact O-CB 3.27Å; A88-F92 WeakPolarHBondContact O-CB 3.48Å; A88-F92 PolarHBondContact O-N 2.62Å
89A95.4Very high91.7Very high12 Ų1251.5 Ų51.510%0.09927%0.266CS..Hα-helixtrans-71.3-38.7178.800000112.4A87 F92 Y93 A145 N149A87-A89 PolarHBondContact O-N 3.38Å; A89-F92 PolarHBondContact O-N 3.32Å; A89-Y93 VanDerWaalsContact O-CB 3.28Å; A89-Y93 WeakPolarHBondContact O-CB 3.07Å; A89-Y93 PolarHBondContact O-N 3.07Å; A89-A145 HydrophobicContact CB-CB 4.35Å; A89-N149 HydrophobicContact CB-CB 4.13Å; A89-N149 WeakPolarHBondContact CB-ND2 3.31Å
90A95.5Very high92.4Very high0 Ų048.5 Ų48.50%025%0.245CC..Hα-helixtrans-62.6-45.1176.700000111.4T34 Y62 F64 F86 A87 Y93 V94 W146T34-A90 HydrophobicContact CG2-CB 4.45Å; Y62-A90 HydrophobicContact CD2-CB 4.27Å; Y62-A90 HydrophobicContact CE2-CB 3.95Å; F64-A90 HydrophobicContact CD2-CB 3.57Å; F64-A90 HydrophobicContact CE2-CB 3.95Å; F86-A90 PolarHBondContact O-N 3.16Å; A87-A90 PolarHBondContact O-N 3.39Å; A90-Y93 PolarHBondContact O-N 3.38Å; A90-V94 VanDerWaalsContact O-CG2 3.31Å; A90-V94 WeakPolarHBondContact O-CG2 3.06Å; A90-V94 PolarHBondContact O-N 3.06Å; A90-W146 HydrophobicContact CB-CE3 4.03Å; A90-W146 HydrophobicContact CB-CH2 3.95Å; A90-W146 HydrophobicContact CB-CZ3 3.56Å
91Q96.5Very high92.8Very high96 Ų9646.2 Ų46.245%0.44924%0.237SC..Hα-helixtrans-64.7-42.3176.8-72.9172.2-5.600111.5Y62 P63 A87 V94 F95Y62-Q91 WeakPolarHBondContact OH-CA 3.38Å; Y62-Q91 VanDerWaalsContact OH-CG 3.3Å; Y62-Q91 WeakPolarHBondContact OH-CG 3.4Å; P63-Q91 HydrophobicContact CB-CG 4.37Å; A87-Q91 VanDerWaalsContact O-CB 3.28Å; A87-Q91 WeakPolarHBondContact O-CB 3.27Å; A87-Q91 VanDerWaalsContact O-CG 3.23Å; A87-Q91 WeakPolarHBondContact O-CG 3.35Å; A87-Q91 PolarHBondContact O-N 3.29Å; Q91-V94 PolarHBondContact O-N 3.01Å; Q91-F95 WeakPolarHBondContact O-CB 3.4Å; Q91-F95 PolarHBondContact O-N 3.19Å
92F96.6Very high93.2Very high72 Ų7246 Ų4632%0.31624%0.238SC..Hα-helixtrans-62.4-43.6175.3180-119.4000111.7A88 A89 F95 V96 L138 I141 A142A88-F92 VanDerWaalsContact O-CB 3.27Å; A88-F92 WeakPolarHBondContact O-CB 3.48Å; A88-F92 PolarHBondContact O-N 2.62Å; A89-F92 PolarHBondContact O-N 3.32Å; F92-F95 PolarHBondContact O-N 3.31Å; F92-V96 HydrophobicContact CD2-CG2 4.15Å; F92-V96 HydrophobicContact CE1-CG2 4.46Å; F92-V96 HydrophobicContact CE2-CG2 3.74Å; F92-V96 HydrophobicContact CZ-CG2 3.92Å; F92-V96 WeakPolarHBondContact O-CG2 2.91Å; F92-V96 PolarHBondContact O-N 2.65Å; F92-L138 HydrophobicContact CZ-CD2 4.28Å; F92-I141 HydrophobicContact CE1-CG2 4.16Å; F92-A142 HydrophobicContact CD1-CB 3.7Å; F92-A142 HydrophobicContact CE1-CB 3.53Å; F92-A142 HydrophobicContact CZ-CB 4.31Å
93Y97Very high93.5Very high2 Ų246.8 Ų46.81%0.00824%0.242CC..Hα-helixtrans-60.4-47.7175.5-177.8-96.2000112.7A30 T34 A89 A90 G97 A142 W146 S186 G190A30-Y93 HydrophobicContact CB-CE1 4.25Å; A30-Y93 VanDerWaalsContact CB-OH 3.23Å; A30-Y93 WeakPolarHBondContact CB-OH 3.47Å; T34-Y93 HydrophobicContact CG2-CD1 4.35Å; A89-Y93 VanDerWaalsContact O-CB 3.28Å; A89-Y93 WeakPolarHBondContact O-CB 3.07Å; A89-Y93 PolarHBondContact O-N 3.07Å; A90-Y93 PolarHBondContact O-N 3.38Å; Y93-G97 PolarHBondContact O-N 2.92Å; Y93-A142 HydrophobicContact CD2-CB 4.25Å; Y93-W146 AromaticContact CD1-CD1 3.81Å; Y93-W146 HydrophobicContact CD1-CG 4.27Å; Y93-W146 HydrophobicContact CD2-CB 3.77Å; Y93-W146 AromaticContact CD2-CD1 3.85Å; Y93-W146 HydrophobicContact CD2-CG 4.03Å; Y93-W146 AromaticContact CE1-CD1 3.9Å; Y93-W146 HydrophobicContact CE2-CB 4.44Å; Y93-W146 AromaticContact CE2-CD1 3.94Å; Y93-W146 HydrophobicContact CG-CB 3.96Å; Y93-W146 AromaticContact CG-CD1 3.78Å; Y93-W146 AromaticContact CG-CG 3.89Å; Y93-W146 HydrophobicContact CG-CG 3.89Å; Y93-W146 AromaticContact CZ-CD1 3.95Å; Y93-S186 PolarHBondContact OH-O 2.76Å; Y93-G190 WeakPolarHBondContact OH-CA 3.4Å; Y93-G190 PolarHBondContact OH-N 3.42Å
94V96.6Very high93.9Very high17 Ų1739.1 Ų39.110%0.10321%0.212CC..Hα-helixtrans-64.8-40.9176.2170.10000111.4F31 T34 C35 Y62 A90 Q91 G97 V98F31-V94 HydrophobicContact CB-CB 4.46Å; F31-V94 HydrophobicContact CB-CG1 4.31Å; F31-V94 HydrophobicContact CB-CG2 4.3Å; T34-V94 HydrophobicContact CG2-CG2 3.84Å; C35-V94 VanDerWaalsContact SG-CG2 3.55Å; Y62-V94 HydrophobicContact CE2-CG2 3.84Å; A90-V94 VanDerWaalsContact O-CG2 3.31Å; A90-V94 WeakPolarHBondContact O-CG2 3.06Å; A90-V94 PolarHBondContact O-N 3.06Å; Q91-V94 PolarHBondContact O-N 3.01Å; V94-G97 CarbonylContact O-C 3.56Å; V94-G97 VanDerWaalsContact O-CA 3.24Å; V94-G97 WeakPolarHBondContact O-CA 3.41Å; V94-G97 PolarHBondContact O-N 3.44Å; V94-V98 HydrophobicContact CG1-CG2 4.42Å; V94-V98 WeakPolarHBondContact O-CG2 3.4Å; V94-V98 PolarHBondContact O-N 3.38Å
95F96.5Very high94.2Very high125 Ų12542.1 Ų42.155%0.54823%0.228SC..Hα-helixtrans-60.4-49.1177.9170.9-99.7000111.8Q91 F92 G97 V98 L99Q91-F95 WeakPolarHBondContact O-CB 3.4Å; Q91-F95 PolarHBondContact O-N 3.19Å; F92-F95 PolarHBondContact O-N 3.31Å; F95-G97 VanDerWaalsContact C-N 3.26Å; F95-G97 PolarHBondContact O-N 3.12Å; F95-V98 PolarHBondContact O-N 3.47Å; F95-L99 HydrophobicContact CE1-CD2 4.39Å; F95-L99 WeakPolarHBondContact O-CB 3.38Å; F95-L99 PolarHBondContact O-N 3.08Å
96V96.1Very high94.2Very high1 Ų140.6 Ų40.61%0.00623%0.228CC..Hα-helixtrans-64.1-36.7175.9176.30000110.7F92 L99 T100 L138 W139 A142F92-V96 HydrophobicContact CD2-CG2 4.15Å; F92-V96 HydrophobicContact CE1-CG2 4.46Å; F92-V96 HydrophobicContact CE2-CG2 3.74Å; F92-V96 HydrophobicContact CZ-CG2 3.92Å; F92-V96 WeakPolarHBondContact O-CG2 2.91Å; F92-V96 PolarHBondContact O-N 2.65Å; V96-L99 PolarHBondContact O-N 2.92Å; V96-T100 WeakPolarHBondContact O-CB 3.3Å; V96-T100 PolarHBondContact O-N 2.86Å; V96-T100 PolarHBondContact O-OG1 3.36Å; V96-L138 HydrophobicContact CG1-CB 4.04Å; V96-L138 HydrophobicContact CG2-CB 4.19Å; V96-W139 HydrophobicContact CG1-CB 4.04Å; V96-W139 HydrophobicContact CG1-CD2 4.25Å; V96-W139 HydrophobicContact CG1-CE3 3.68Å; V96-W139 HydrophobicContact CG1-CG 4.46Å; V96-W139 HydrophobicContact CG1-CZ3 4.45Å; V96-W139 WeakPolarHBondContact O-CZ3 3.49Å; V96-A142 HydrophobicContact CB-CB 4.2Å; V96-A142 HydrophobicContact CG1-CB 4.47Å; V96-A142 HydrophobicContact CG2-CB 4.12Å
97G95.4Very high93.9Very high0 Ų041 Ų410%023%0.231CC..Hα-helixtrans-40.1-67.5162.800000114.4Y93 V94 F95 T100 M101Y93-G97 PolarHBondContact O-N 2.92Å; V94-G97 CarbonylContact O-C 3.56Å; V94-G97 VanDerWaalsContact O-CA 3.24Å; V94-G97 WeakPolarHBondContact O-CA 3.41Å; V94-G97 PolarHBondContact O-N 3.44Å; F95-G97 VanDerWaalsContact C-N 3.26Å; F95-G97 PolarHBondContact O-N 3.12Å; G97-T100 PolarHBondContact O-N 3.07Å; G97-M101 PolarHBondContact O-N 3.48Å; G97-M101 VanDerWaalsContact O-N 3.13Å
98V95.9Very high93.4Very high55 Ų5541.2 Ų41.233%0.33323%0.233SC..Hα-helixtrans-66.2-40.6-176.2174.70000111.2F31 V94 F95 T100 M101 L102F31-V98 HydrophobicContact CD1-CG2 4.4Å; F31-V98 HydrophobicContact CE1-CG2 4.44Å; F31-V98 HydrophobicContact CG-CG2 4.48Å; V94-V98 HydrophobicContact CG1-CG2 4.42Å; V94-V98 WeakPolarHBondContact O-CG2 3.4Å; V94-V98 PolarHBondContact O-N 3.38Å; F95-V98 PolarHBondContact O-N 3.47Å; V98-T100 VanDerWaalsContact C-N 3.29Å; V98-T100 PolarHBondContact O-N 2.82Å; V98-M101 WeakPolarHBondContact O-CB 3.4Å; V98-M101 PolarHBondContact O-N 2.76Å; V98-L102 HydrophobicContact CG1-CD1 3.97Å; V98-L102 HydrophobicContact CG1-CG 4.28Å; V98-L102 WeakPolarHBondContact O-CG 3.2Å; V98-L102 PolarHBondContact O-N 3.43Å
99L94.5Very high93Very high65 Ų6541.2 Ų41.234%0.3423%0.225SC..Hα-helixtrans-58.9-42.7177.6-177.964.8000111.6F95 V96 L102 F103 I135F95-L99 HydrophobicContact CE1-CD2 4.39Å; F95-L99 WeakPolarHBondContact O-CB 3.38Å; F95-L99 PolarHBondContact O-N 3.08Å; V96-L99 PolarHBondContact O-N 2.92Å; L99-L102 PolarHBondContact O-N 3.21Å; L99-F103 WeakPolarHBondContact O-CB 3.21Å; L99-F103 PolarHBondContact O-N 3.03Å; L99-I135 HydrophobicContact CD2-CD1 3.89Å; L99-I135 HydrophobicContact CG-CD1 3.99Å
100T92.3Very high92.6Very high0 Ų043.6 Ų43.60%023%0.232CC..Hα-helixtrans-66.1-44178-57.70000111.6A27 V96 G97 V98 L102 F103 C104 I135 W139 W197A27-T100 HydrophobicContact CB-CG2 4.4Å; V96-T100 WeakPolarHBondContact O-CB 3.3Å; V96-T100 PolarHBondContact O-N 2.86Å; V96-T100 PolarHBondContact O-OG1 3.36Å; G97-T100 PolarHBondContact O-N 3.07Å; V98-T100 VanDerWaalsContact C-N 3.29Å; V98-T100 PolarHBondContact O-N 2.82Å; T100-L102 PolarHBondContact O-N 3.47Å; T100-F103 PolarHBondContact O-N 3.29Å; T100-C104 PolarHBondContact O-N 2.82Å; T100-C104 PolarHBondContact O-SG 2.93Å; T100-I135 HydrophobicContact CG2-CG2 3.98Å; T100-I135 WeakPolarHBondContact OG1-CG2 3.22Å; T100-W139 HydrophobicContact CG2-CE3 4.08Å; T100-W139 HydrophobicContact CG2-CZ3 3.97Å; T100-W139 WeakPolarHBondContact OG1-CZ3 3.29Å; T100-W197 HydrophobicContact CG2-CZ2 3.47Å; T100-W197 VanDerWaalsContact CG2-CZ2 3.47Å
101M93Very high91.9Very high44 Ų4444.4 Ų44.422%0.21724%0.235CC..Hα-helixtrans-58.1-49.3174.7-173.6-149.571.200111V24 I28 F31 G97 V98 F103 C104 V105V24-M101 HydrophobicContact CG1-CG 4.16Å; I28-M101 HydrophobicContact CD1-CG 4.18Å; I28-M101 HydrophobicContact CD1-SD 4.27Å; I28-M101 HydrophobicContact CG1-CG 3.97Å; I28-M101 HydrophobicContact CG1-SD 4.06Å; F31-M101 HydrophobicContact CE1-CB 4.24Å; F31-M101 HydrophobicContact CE1-SD 4.32Å; F31-M101 HydrophobicContact CZ-SD 4.12Å; G97-M101 PolarHBondContact O-N 3.48Å; G97-M101 VanDerWaalsContact O-N 3.13Å; V98-M101 WeakPolarHBondContact O-CB 3.4Å; V98-M101 PolarHBondContact O-N 2.76Å; M101-F103 PolarHBondContact O-N 3.44Å; M101-C104 PolarHBondContact O-N 3.37Å; M101-V105 VanDerWaalsContact O-CG2 3.31Å; M101-V105 WeakPolarHBondContact O-CG2 3.43Å; M101-V105 PolarHBondContact O-N 3.26Å
102L93.9Very high91.2Very high99 Ų9942.2 Ų42.252%0.51823%0.228SC..Hα-helixtrans-62.8-41.1178.7-70.3175.2000112.1V98 L99 T100 V105 A106V98-L102 HydrophobicContact CG1-CD1 3.97Å; V98-L102 HydrophobicContact CG1-CG 4.28Å; V98-L102 WeakPolarHBondContact O-CG 3.2Å; V98-L102 PolarHBondContact O-N 3.43Å; L99-L102 PolarHBondContact O-N 3.21Å; T100-L102 PolarHBondContact O-N 3.47Å; L102-V105 PolarHBondContact O-N 3.31Å; L102-A106 VanDerWaalsContact O-CB 3.31Å; L102-A106 WeakPolarHBondContact O-CB 3.29Å; L102-A106 PolarHBondContact O-N 2.9Å
103F91.7Very high90.6Very high34 Ų3447.2 Ų47.215%0.14925%0.246CC..Hα-helixtrans-61.2-49.3176.7176.4-96000111.4L99 T100 M101 V105 A106 M107 E128 F131 W197L99-F103 WeakPolarHBondContact O-CB 3.21Å; L99-F103 PolarHBondContact O-N 3.03Å; T100-F103 PolarHBondContact O-N 3.29Å; M101-F103 PolarHBondContact O-N 3.44Å; F103-V105 PolarHBondContact O-N 3.37Å; F103-A106 PolarHBondContact O-N 3.37Å; F103-M107 HydrophobicContact CD1-CG 4.21Å; F103-M107 HydrophobicContact CD2-CG 4.38Å; F103-M107 HydrophobicContact CE1-CG 3.81Å; F103-M107 HydrophobicContact CE2-CG 3.98Å; F103-M107 HydrophobicContact CE2-SD 4.29Å; F103-M107 HydrophobicContact CG-CG 4.5Å; F103-M107 HydrophobicContact CZ-CG 3.69Å; F103-M107 HydrophobicContact CZ-SD 4.18Å; F103-M107 WeakPolarHBondContact O-CB 3.06Å; F103-M107 VanDerWaalsContact O-CG 3.29Å; F103-M107 WeakPolarHBondContact O-CG 3.3Å; F103-M107 PolarHBondContact O-N 3.49Å; F103-E128 HydrophobicContact CZ-CG 4.38Å; F103-F131 HydrophobicContact CE2-CB 3.72Å; F103-F131 HydrophobicContact CE2-CG 4.3Å; F103-F131 HydrophobicContact CZ-CB 3.93Å; F103-W197 AromaticContact CD1-CH2 3.68Å; F103-W197 HydrophobicContact CD1-CH2 3.68Å; F103-W197 HydrophobicContact CD1-CZ2 4.45Å; F103-W197 AromaticContact CE1-CH2 3.71Å; F103-W197 HydrophobicContact CE1-CH2 3.71Å; F103-W197 HydrophobicContact CE1-CZ3 4.27Å
104C89.6Confident89.9Confident6 Ų651.1 Ų51.14%0.04126%0.263CS..Hα-helixtrans-65.6-36.8179.3-71.60000112.9V24 T100 M101 G108 W197V24-C104 HydrophobicContact CG2-CB 3.07Å; T100-C104 PolarHBondContact O-N 2.82Å; T100-C104 PolarHBondContact O-SG 2.93Å; M101-C104 PolarHBondContact O-N 3.37Å; C104-G108 PolarHBondContact O-N 3.48Å; C104-W197 VanDerWaalsContact SG-CZ2 3.51Å
105V89.7Confident88.8Confident75 Ų7553.2 Ų53.246%0.45527%0.272SS..Hα-helixtrans-64.5-46.4173.2170.70000110.7M101 L102 F103 M107 G108 V109M101-V105 VanDerWaalsContact O-CG2 3.31Å; M101-V105 WeakPolarHBondContact O-CG2 3.43Å; M101-V105 PolarHBondContact O-N 3.26Å; L102-V105 PolarHBondContact O-N 3.31Å; F103-V105 PolarHBondContact O-N 3.37Å; V105-M107 VanDerWaalsContact C-N 3.34Å; V105-M107 PolarHBondContact O-N 3.48Å; V105-G108 PolarHBondContact O-N 3.1Å; V105-V109 HydrophobicContact CG1-CG2 4.45Å; V105-V109 VanDerWaalsContact O-CG2 3.32Å; V105-V109 WeakPolarHBondContact O-CG2 3.44Å; V105-V109 PolarHBondContact O-N 3.4Å
106A90Very high87.6Confident60 Ų6053.6 Ų53.650%0.49628%0.28SS..Hα-helixtrans-61.2-43.1178.300000112L102 F103 Y110L102-A106 VanDerWaalsContact O-CB 3.31Å; L102-A106 WeakPolarHBondContact O-CB 3.29Å; L102-A106 PolarHBondContact O-N 2.9Å; F103-A106 PolarHBondContact O-N 3.37Å; A106-Y110 WeakPolarHBondContact O-CB 3.03Å; A106-Y110 PolarHBondContact O-N 2.9Å
107M85.8Confident86.6Confident16 Ų1661.3 Ų61.38%0.07931%0.309CS..Hα-helixtrans-65-44.9174.8-70.4-58.7-56.900111.7F103 V105 V109 Y110 Y111 F124 E128F103-M107 HydrophobicContact CD1-CG 4.21Å; F103-M107 HydrophobicContact CD2-CG 4.38Å; F103-M107 HydrophobicContact CE1-CG 3.81Å; F103-M107 HydrophobicContact CE2-CG 3.98Å; F103-M107 HydrophobicContact CE2-SD 4.29Å; F103-M107 HydrophobicContact CG-CG 4.5Å; F103-M107 HydrophobicContact CZ-CG 3.69Å; F103-M107 HydrophobicContact CZ-SD 4.18Å; F103-M107 WeakPolarHBondContact O-CB 3.06Å; F103-M107 VanDerWaalsContact O-CG 3.29Å; F103-M107 WeakPolarHBondContact O-CG 3.3Å; F103-M107 PolarHBondContact O-N 3.49Å; V105-M107 VanDerWaalsContact C-N 3.34Å; V105-M107 PolarHBondContact O-N 3.48Å; M107-V109 PolarHBondContact O-N 3.27Å; M107-Y110 WeakPolarHBondContact O-CB 3.49Å; M107-Y110 PolarHBondContact O-N 3.43Å; M107-Y110 VanDerWaalsContact O-N 3.15Å; M107-Y111 HydrophobicContact CB-CD2 4.44Å; M107-Y111 HydrophobicContact CB-CE2 4.07Å; M107-Y111 HydrophobicContact CE-CE2 3.98Å; M107-Y111 WeakPolarHBondContact O-CD2 3.31Å; M107-Y111 PolarHBondContact O-N 2.68Å; M107-F124 HydrophobicContact CE-CE1 3.45Å; M107-F124 VanDerWaalsContact CE-CE1 3.45Å; M107-F124 HydrophobicContact CE-CZ 3.7Å; M107-F124 HydrophobicContact SD-CE1 4.29Å; M107-F124 HydrophobicContact SD-CZ 3.92Å; M107-E128 HydrophobicContact CE-CB 4.01Å; M107-E128 VanDerWaalsContact CE-CD 3.46Å; M107-E128 HydrophobicContact CE-CG 3.47Å; M107-E128 VanDerWaalsContact CE-CG 3.47Å; M107-E128 HydrophobicContact SD-CG 4.33Å
108G84.7Confident85.4Confident12 Ų1262.1 Ų62.112%0.12431%0.312CS..Hα-helixtrans-56.8-46.7175.500000112.6C104 V105 Y111 V112C104-G108 PolarHBondContact O-N 3.48Å; V105-G108 PolarHBondContact O-N 3.1Å; G108-Y111 PolarHBondContact O-N 2.97Å; G108-V112 WeakPolarHBondContact O-CG2 3.48Å; G108-V112 PolarHBondContact O-N 3.3Å; G108-V112 VanDerWaalsContact O-N 3.15Å
109V86.8Confident84.1Confident74 Ų7465.2 Ų65.245%0.44832%0.321SS..Hα-helixtrans-61.1-46.6174.41710000110.6V105 M107 Y111 V112 Y113V105-V109 HydrophobicContact CG1-CG2 4.45Å; V105-V109 VanDerWaalsContact O-CG2 3.32Å; V105-V109 WeakPolarHBondContact O-CG2 3.44Å; V105-V109 PolarHBondContact O-N 3.4Å; M107-V109 PolarHBondContact O-N 3.27Å; V109-Y111 VanDerWaalsContact C-N 3.31Å; V109-Y111 PolarHBondContact O-N 3.49Å; V109-V112 PolarHBondContact O-N 2.94Å; V109-Y113 HydrophobicContact CG1-CD2 3.7Å; V109-Y113 HydrophobicContact CG1-CE2 3.85Å; V109-Y113 VanDerWaalsContact O-CD2 3.27Å; V109-Y113 WeakPolarHBondContact O-CD2 3.23Å; V109-Y113 PolarHBondContact O-N 2.87Å; V109-Y113 VanDerWaalsContact O-N 3.14Å
110Y85.7Confident83Confident63 Ų6366.2 Ų66.225%0.24734%0.339CS..Hα-helixtrans-58.6-43.1178.6-173.9-90.6000112.2A106 M107 V112 Y113 F114 Y118 F124A106-Y110 WeakPolarHBondContact O-CB 3.03Å; A106-Y110 PolarHBondContact O-N 2.9Å; M107-Y110 WeakPolarHBondContact O-CB 3.49Å; M107-Y110 PolarHBondContact O-N 3.43Å; M107-Y110 VanDerWaalsContact O-N 3.15Å; Y110-V112 PolarHBondContact O-N 2.92Å; Y110-Y113 PolarHBondContact O-N 3.3Å; Y110-F114 HydrophobicContact CD1-CB 4.44Å; Y110-F114 AromaticContact CD2-CD2 3.65Å; Y110-F114 HydrophobicContact CD2-CD2 3.65Å; Y110-F114 HydrophobicContact CD2-CE2 4.32Å; Y110-F114 HydrophobicContact CD2-CG 4.43Å; Y110-F114 HydrophobicContact CE1-CB 4.09Å; Y110-F114 HydrophobicContact CE2-CB 4.19Å; Y110-F114 AromaticContact CE2-CD2 3.69Å; Y110-F114 HydrophobicContact CE2-CD2 3.69Å; Y110-F114 HydrophobicContact CE2-CE2 4.38Å; Y110-F114 HydrophobicContact CE2-CG 4.12Å; Y110-F114 HydrophobicContact CG-CD2 4.27Å; Y110-F114 WeakPolarHBondContact O-CA 3.28Å; Y110-F114 WeakPolarHBondContact O-CB 3.11Å; Y110-F114 PolarHBondContact O-N 3.35Å; Y110-Y118 HydrophobicContact CD1-CD2 4.36Å; Y110-Y118 HydrophobicContact CE1-CD2 4.14Å; Y110-F124 HydrophobicContact CD1-CD1 4.32Å; Y110-F124 AromaticContact CD1-CE1 3.49Å; Y110-F124 HydrophobicContact CD1-CE1 3.49Å; Y110-F124 VanDerWaalsContact CD1-CE1 3.49Å; Y110-F124 AromaticContact CD1-CE2 3.91Å; Y110-F124 HydrophobicContact CD1-CE2 3.91Å; Y110-F124 AromaticContact CD1-CZ 3.25Å; Y110-F124 HydrophobicContact CD1-CZ 3.25Å; Y110-F124 HydrophobicContact CD2-CE2 4.25Å; Y110-F124 HydrophobicContact CD2-CZ 4.19Å; Y110-F124 AromaticContact CE1-CD1 3.77Å; Y110-F124 HydrophobicContact CE1-CD1 3.77Å; Y110-F124 AromaticContact CE1-CD2 3.87Å; Y110-F124 HydrophobicContact CE1-CD2 3.87Å; Y110-F124 AromaticContact CE1-CE1 3.38Å; Y110-F124 HydrophobicContact CE1-CE1 3.38Å; Y110-F124 AromaticContact CE1-CE2 3.51Å; Y110-F124 HydrophobicContact CE1-CE2 3.51Å; Y110-F124 AromaticContact CE1-CG 3.98Å; Y110-F124 HydrophobicContact CE1-CG 3.98Å; Y110-F124 AromaticContact CE1-CZ 3.25Å; Y110-F124 HydrophobicContact CE1-CZ 3.25Å; Y110-F124 HydrophobicContact CE2-CD2 4.47Å; Y110-F124 AromaticContact CE2-CE2 3.87Å; Y110-F124 HydrophobicContact CE2-CE2 3.87Å; Y110-F124 HydrophobicContact CE2-CZ 4.19Å; Y110-F124 HydrophobicContact CG-CE1 4.4Å; Y110-F124 HydrophobicContact CG-CE2 4.26Å; Y110-F124 AromaticContact CG-CZ 3.75Å; Y110-F124 HydrophobicContact CG-CZ 3.75Å; Y110-F124 AromaticContact CZ-CD2 3.74Å; Y110-F124 AromaticContact CZ-CE2 3.48Å; Y110-F124 VanDerWaalsContact CZ-CE2 3.48Å; Y110-F124 AromaticContact CZ-CZ 3.74Å
111Y81.3Confident82.1Confident16 Ų1668.7 Ų68.76%0.06335%0.352CS..Hα-helixtrans-61-43.3177.5-74.5-54000113.6K16 M107 G108 V109 H115 Y118 E128K16-Y111 WeakPolarHBondContact CE-OH 3.36Å; K16-Y111 PolarHBondContact NZ-OH 3.08Å; M107-Y111 HydrophobicContact CB-CD2 4.44Å; M107-Y111 HydrophobicContact CB-CE2 4.07Å; M107-Y111 HydrophobicContact CE-CE2 3.98Å; M107-Y111 WeakPolarHBondContact O-CD2 3.31Å; M107-Y111 PolarHBondContact O-N 2.68Å; G108-Y111 PolarHBondContact O-N 2.97Å; V109-Y111 VanDerWaalsContact C-N 3.31Å; V109-Y111 PolarHBondContact O-N 3.49Å; Y111-H115 WeakPolarHBondContact O-CA 3.24Å; Y111-H115 WeakPolarHBondContact O-CB 3.24Å; Y111-H115 PolarHBondContact O-N 3.49Å; Y111-Y118 HydrophobicContact CD1-CD1 4.13Å; Y111-Y118 AromaticContact CD1-CD2 3.7Å; Y111-Y118 HydrophobicContact CD1-CD2 3.7Å; Y111-Y118 HydrophobicContact CD1-CE2 4.09Å; Y111-Y118 AromaticContact CD1-CG 3.78Å; Y111-Y118 HydrophobicContact CD1-CG 3.78Å; Y111-Y118 AromaticContact CE1-CD1 3.74Å; Y111-Y118 HydrophobicContact CE1-CD1 3.74Å; Y111-Y118 AromaticContact CE1-CD2 3.2Å; Y111-Y118 HydrophobicContact CE1-CD2 3.2Å; Y111-Y118 AromaticContact CE1-CE1 3.69Å; Y111-Y118 HydrophobicContact CE1-CE1 3.69Å; Y111-Y118 AromaticContact CE1-CE2 3.12Å; Y111-Y118 HydrophobicContact CE1-CE2 3.12Å; Y111-Y118 AromaticContact CE1-CG 3.56Å; Y111-Y118 HydrophobicContact CE1-CG 3.56Å; Y111-Y118 AromaticContact CE1-CZ 3.43Å; Y111-Y118 VanDerWaalsContact CE1-CZ 3.43Å; Y111-Y118 AromaticContact CZ-CE2 3.72Å; Y111-E128 PolarHBondContact OH-OE1 3.34Å; Y111-E128 PolarHBondContact OH-OE2 2.82Å
112V82.1Confident81.2Confident50 Ų5070 Ų7030%0.30337%0.366SS..Hα-helixtrans-67-40.4-179173.10000111.2F12 G108 V109 Y110F12-V112 HydrophobicContact CE2-CG2 3.97Å; F12-V112 HydrophobicContact CZ-CG2 4.35Å; G108-V112 WeakPolarHBondContact O-CG2 3.48Å; G108-V112 PolarHBondContact O-N 3.3Å; G108-V112 VanDerWaalsContact O-N 3.15Å; V109-V112 PolarHBondContact O-N 2.94Å; Y110-V112 PolarHBondContact O-N 2.92Å
113Y83.9Confident80.6Confident178 Ų17872.6 Ų72.670%0.69837%0.369SS*.Hα-helixtrans-86.6-30.9-176.3-76.4-73.4000114.5V109 Y110V109-Y113 HydrophobicContact CG1-CD2 3.7Å; V109-Y113 HydrophobicContact CG1-CE2 3.85Å; V109-Y113 VanDerWaalsContact O-CD2 3.27Å; V109-Y113 WeakPolarHBondContact O-CD2 3.23Å; V109-Y113 PolarHBondContact O-N 2.87Å; V109-Y113 VanDerWaalsContact O-N 3.14Å; Y110-Y113 PolarHBondContact O-N 3.3Å
114F82.1Confident80Confident83 Ų8373.1 Ų73.136%0.36437%0.371SS..SBendtrans-122.632.2-172-61.3-72000112.7Y110 D116 R117 Y118Y110-F114 HydrophobicContact CD1-CB 4.44Å; Y110-F114 AromaticContact CD2-CD2 3.65Å; Y110-F114 HydrophobicContact CD2-CD2 3.65Å; Y110-F114 HydrophobicContact CD2-CE2 4.32Å; Y110-F114 HydrophobicContact CD2-CG 4.43Å; Y110-F114 HydrophobicContact CE1-CB 4.09Å; Y110-F114 HydrophobicContact CE2-CB 4.19Å; Y110-F114 AromaticContact CE2-CD2 3.69Å; Y110-F114 HydrophobicContact CE2-CD2 3.69Å; Y110-F114 HydrophobicContact CE2-CE2 4.38Å; Y110-F114 HydrophobicContact CE2-CG 4.12Å; Y110-F114 HydrophobicContact CG-CD2 4.27Å; Y110-F114 WeakPolarHBondContact O-CA 3.28Å; Y110-F114 WeakPolarHBondContact O-CB 3.11Å; Y110-F114 PolarHBondContact O-N 3.35Å; F114-D116 PolarHBondContact O-N 2.82Å; F114-R117 HydrophobicContact CB-CB 4.37Å; F114-R117 VanDerWaalsContact CE1-NH1 3.34Å; F114-R117 PolarHBondContact O-N 3.29Å; F114-Y118 PolarHBondContact O-N 3.3Å
115H73.4Confident79.4Confident61 Ų6173.6 Ų73.628%0.28238%0.375SS..Hα-helixtrans-44.6-55.4-179.7-173.6-92.7000112.9V11 Y111 R117 Y118 F119V11-H115 VanDerWaalsContact CG2-CD2 3.42Å; V11-H115 WeakPolarHBondContact CG2-CD2 3.26Å; Y111-H115 WeakPolarHBondContact O-CA 3.24Å; Y111-H115 WeakPolarHBondContact O-CB 3.24Å; Y111-H115 PolarHBondContact O-N 3.49Å; H115-R117 VanDerWaalsContact C-N 3.3Å; H115-R117 PolarHBondContact O-N 3.36Å; H115-Y118 WeakPolarHBondContact O-CB 3.39Å; H115-Y118 PolarHBondContact O-N 2.82Å; H115-Y118 VanDerWaalsContact O-N 3.17Å; H115-F119 AromaticContact CD2-CE2 3.79Å; H115-F119 AromaticContact CE1-CD2 3.81Å; H115-F119 AromaticContact CE1-CE2 3.62Å; H115-F119 AromaticContact NE2-CD2 3.98Å; H115-F119 AromaticContact NE2-CE2 3.35Å; H115-F119 VanDerWaalsContact NE2-CE2 3.35Å; H115-F119 WeakPolarHBondContact NE2-CE2 3.33Å; H115-F119 WeakPolarHBondContact O-CD2 3.46Å; H115-F119 PolarHBondContact O-N 3.3Å
116D71.9Confident79.1Confident133 Ų13373.9 Ų73.971%0.71137%0.37SS*.Hα-helixtrans-63.7-34.1-177-58-31000112.9F114 A120F114-D116 PolarHBondContact O-N 2.82Å; D116-A120 WeakPolarHBondContact O-CB 3.23Å; D116-A120 PolarHBondContact O-N 2.86Å; D116-A120 VanDerWaalsContact O-N 3.08Å
117R74.6Confident78.8Confident163 Ų16377.6 Ų77.662%0.61537%0.372SS*.Hα-helixtrans-75.7-34.6177.7-69.8-167176.2121.13.7112.3F114 H115 F119 A120 D121F114-R117 HydrophobicContact CB-CB 4.37Å; F114-R117 VanDerWaalsContact CE1-NH1 3.34Å; F114-R117 PolarHBondContact O-N 3.29Å; H115-R117 VanDerWaalsContact C-N 3.3Å; H115-R117 PolarHBondContact O-N 3.36Å; R117-F119 VanDerWaalsContact C-N 3.3Å; R117-F119 PolarHBondContact O-N 3.15Å; R117-A120 PolarHBondContact O-N 3.46Å; R117-D121 PolarHBondContact O-N 3.48Å
118Y69.6Low78.9Confident17 Ų1777 Ų777%0.06737%0.369CS..Hα-helixtrans-59.7-43.9177.5179.5-85.8000110.7K16 Y110 Y111 F114 H115 F124 E128K16-Y118 PolarHBondContact NZ-OH 2.8Å; Y110-Y118 HydrophobicContact CD1-CD2 4.36Å; Y110-Y118 HydrophobicContact CE1-CD2 4.14Å; Y111-Y118 HydrophobicContact CD1-CD1 4.13Å; Y111-Y118 AromaticContact CD1-CD2 3.7Å; Y111-Y118 HydrophobicContact CD1-CD2 3.7Å; Y111-Y118 HydrophobicContact CD1-CE2 4.09Å; Y111-Y118 AromaticContact CD1-CG 3.78Å; Y111-Y118 HydrophobicContact CD1-CG 3.78Å; Y111-Y118 AromaticContact CE1-CD1 3.74Å; Y111-Y118 HydrophobicContact CE1-CD1 3.74Å; Y111-Y118 AromaticContact CE1-CD2 3.2Å; Y111-Y118 HydrophobicContact CE1-CD2 3.2Å; Y111-Y118 AromaticContact CE1-CE1 3.69Å; Y111-Y118 HydrophobicContact CE1-CE1 3.69Å; Y111-Y118 AromaticContact CE1-CE2 3.12Å; Y111-Y118 HydrophobicContact CE1-CE2 3.12Å; Y111-Y118 AromaticContact CE1-CG 3.56Å; Y111-Y118 HydrophobicContact CE1-CG 3.56Å; Y111-Y118 AromaticContact CE1-CZ 3.43Å; Y111-Y118 VanDerWaalsContact CE1-CZ 3.43Å; Y111-Y118 AromaticContact CZ-CE2 3.72Å; F114-Y118 PolarHBondContact O-N 3.3Å; H115-Y118 WeakPolarHBondContact O-CB 3.39Å; H115-Y118 PolarHBondContact O-N 2.82Å; H115-Y118 VanDerWaalsContact O-N 3.17Å; Y118-F124 AromaticContact CD2-CD1 3.18Å; Y118-F124 HydrophobicContact CD2-CD1 3.18Å; Y118-F124 AromaticContact CD2-CE1 3.35Å; Y118-F124 HydrophobicContact CD2-CE1 3.35Å; Y118-F124 HydrophobicContact CD2-CG 4.32Å; Y118-F124 AromaticContact CE2-CD1 3.23Å; Y118-F124 HydrophobicContact CE2-CD1 3.23Å; Y118-F124 AromaticContact CE2-CE1 3.42Å; Y118-F124 HydrophobicContact CE2-CE1 3.42Å; Y118-F124 VanDerWaalsContact CE2-CE1 3.42Å; Y118-F124 HydrophobicContact CG-CD1 4.4Å; Y118-E128 WeakPolarHBondContact CE2-OE2 3.28Å; Y118-E128 PolarHBondContact OH-OE2 3.44Å
119F69.9Low79Confident120 Ų12077.7 Ų77.753%0.52637%0.369SS..Hα-helixtrans-79.5-30.5178.3-71.9-75.7000113.8H115 R117H115-F119 AromaticContact CD2-CE2 3.79Å; H115-F119 AromaticContact CE1-CD2 3.81Å; H115-F119 AromaticContact CE1-CE2 3.62Å; H115-F119 AromaticContact NE2-CD2 3.98Å; H115-F119 AromaticContact NE2-CE2 3.35Å; H115-F119 VanDerWaalsContact NE2-CE2 3.35Å; H115-F119 WeakPolarHBondContact NE2-CE2 3.33Å; H115-F119 WeakPolarHBondContact O-CD2 3.46Å; H115-F119 PolarHBondContact O-N 3.3Å; R117-F119 VanDerWaalsContact C-N 3.3Å; R117-F119 PolarHBondContact O-N 3.15Å
120A71.8Confident79.1Confident87 Ų8778.6 Ų78.672%0.71937%0.37SS*.Hα-helixtrans-73.9-33.4179.500000113.6D116 R117D116-A120 WeakPolarHBondContact O-CB 3.23Å; D116-A120 PolarHBondContact O-N 2.86Å; D116-A120 VanDerWaalsContact O-N 3.08Å; R117-A120 PolarHBondContact O-N 3.46Å
121D73.4Confident79.3Confident52 Ų5281.1 Ų81.128%0.27838%0.382SS..  trans-109.8102.9-175-163.9-17.3000113R117 R123 F124R117-D121 PolarHBondContact O-N 3.48Å; D121-R123 PolarHBondContact O-N 3.13Å; D121-R123 WeakPolarHBondContact OD1-CB 3.11Å; D121-R123 VanDerWaalsContact OD1-CG 3.27Å; D121-R123 WeakPolarHBondContact OD1-CG 3.23Å; D121-R123 IonicContact OD1-CZ 3.99Å; D121-R123 PolarHBondContact OD1-N 3.38Å; D121-R123 IonicContact OD1-NE 3.06Å; D121-R123 PolarHBondContact OD1-NE 2.91Å; D121-R123 IonicContact OD2-CZ 3.26Å; D121-R123 VanDerWaalsContact OD2-CZ 3.26Å; D121-R123 IonicContact OD2-NE 2.99Å; D121-R123 PolarHBondContact OD2-NE 3.29Å; D121-R123 IonicContact OD2-NH2 2.71Å; D121-R123 PolarHBondContact OD2-NH2 2.86Å; D121-F124 PolarHBondContact O-N 2.76Å
122S74.2Confident79.8Confident71 Ų7180.4 Ų80.450%0.49738%0.38SS..Hα-helixtrans-57.4-19.6175.869.90000114.6F124 K126S122-F124 VanDerWaalsContact C-N 3.35Å; S122-K126 WeakPolarHBondContact O-CG 3.31Å; S122-K126 PolarHBondContact O-N 2.87Å
123R79.7Confident80.3Confident153 Ų15380.9 Ų80.958%0.57738%0.38SS*.Hα-helixtrans-64.7-40.2179.2-65.9179.5-70.4-176.3-0.8111.6D121 K126 Y127D121-R123 PolarHBondContact O-N 3.13Å; D121-R123 WeakPolarHBondContact OD1-CB 3.11Å; D121-R123 VanDerWaalsContact OD1-CG 3.27Å; D121-R123 WeakPolarHBondContact OD1-CG 3.23Å; D121-R123 IonicContact OD1-CZ 3.99Å; D121-R123 PolarHBondContact OD1-N 3.38Å; D121-R123 IonicContact OD1-NE 3.06Å; D121-R123 PolarHBondContact OD1-NE 2.91Å; D121-R123 IonicContact OD2-CZ 3.26Å; D121-R123 VanDerWaalsContact OD2-CZ 3.26Å; D121-R123 IonicContact OD2-NE 2.99Å; D121-R123 PolarHBondContact OD2-NE 3.29Å; D121-R123 IonicContact OD2-NH2 2.71Å; D121-R123 PolarHBondContact OD2-NH2 2.86Å; R123-K126 WeakPolarHBondContact O-CB 3.26Å; R123-K126 PolarHBondContact O-N 2.88Å; R123-Y127 HydrophobicContact CB-CE2 4.22Å; R123-Y127 WeakPolarHBondContact O-CD2 3.16Å; R123-Y127 PolarHBondContact O-N 3.13Å; R123-Y127 VanDerWaalsContact O-N 3.1Å
124F79.3Confident80.8Confident45 Ų4576 Ų7620%0.19737%0.368CS..Hα-helixtrans-67.4-42.3-177-172.6-88000111.5M107 Y110 Y118 D121 S122 K126 Y127 E128M107-F124 HydrophobicContact CE-CE1 3.45Å; M107-F124 VanDerWaalsContact CE-CE1 3.45Å; M107-F124 HydrophobicContact CE-CZ 3.7Å; M107-F124 HydrophobicContact SD-CE1 4.29Å; M107-F124 HydrophobicContact SD-CZ 3.92Å; Y110-F124 HydrophobicContact CD1-CD1 4.32Å; Y110-F124 AromaticContact CD1-CE1 3.49Å; Y110-F124 HydrophobicContact CD1-CE1 3.49Å; Y110-F124 VanDerWaalsContact CD1-CE1 3.49Å; Y110-F124 AromaticContact CD1-CE2 3.91Å; Y110-F124 HydrophobicContact CD1-CE2 3.91Å; Y110-F124 AromaticContact CD1-CZ 3.25Å; Y110-F124 HydrophobicContact CD1-CZ 3.25Å; Y110-F124 HydrophobicContact CD2-CE2 4.25Å; Y110-F124 HydrophobicContact CD2-CZ 4.19Å; Y110-F124 AromaticContact CE1-CD1 3.77Å; Y110-F124 HydrophobicContact CE1-CD1 3.77Å; Y110-F124 AromaticContact CE1-CD2 3.87Å; Y110-F124 HydrophobicContact CE1-CD2 3.87Å; Y110-F124 AromaticContact CE1-CE1 3.38Å; Y110-F124 HydrophobicContact CE1-CE1 3.38Å; Y110-F124 AromaticContact CE1-CE2 3.51Å; Y110-F124 HydrophobicContact CE1-CE2 3.51Å; Y110-F124 AromaticContact CE1-CG 3.98Å; Y110-F124 HydrophobicContact CE1-CG 3.98Å; Y110-F124 AromaticContact CE1-CZ 3.25Å; Y110-F124 HydrophobicContact CE1-CZ 3.25Å; Y110-F124 HydrophobicContact CE2-CD2 4.47Å; Y110-F124 AromaticContact CE2-CE2 3.87Å; Y110-F124 HydrophobicContact CE2-CE2 3.87Å; Y110-F124 HydrophobicContact CE2-CZ 4.19Å; Y110-F124 HydrophobicContact CG-CE1 4.4Å; Y110-F124 HydrophobicContact CG-CE2 4.26Å; Y110-F124 AromaticContact CG-CZ 3.75Å; Y110-F124 HydrophobicContact CG-CZ 3.75Å; Y110-F124 AromaticContact CZ-CD2 3.74Å; Y110-F124 AromaticContact CZ-CE2 3.48Å; Y110-F124 VanDerWaalsContact CZ-CE2 3.48Å; Y110-F124 AromaticContact CZ-CZ 3.74Å; Y118-F124 AromaticContact CD2-CD1 3.18Å; Y118-F124 HydrophobicContact CD2-CD1 3.18Å; Y118-F124 AromaticContact CD2-CE1 3.35Å; Y118-F124 HydrophobicContact CD2-CE1 3.35Å; Y118-F124 HydrophobicContact CD2-CG 4.32Å; Y118-F124 AromaticContact CE2-CD1 3.23Å; Y118-F124 HydrophobicContact CE2-CD1 3.23Å; Y118-F124 AromaticContact CE2-CE1 3.42Å; Y118-F124 HydrophobicContact CE2-CE1 3.42Å; Y118-F124 VanDerWaalsContact CE2-CE1 3.42Å; Y118-F124 HydrophobicContact CG-CD1 4.4Å; D121-F124 PolarHBondContact O-N 2.76Å; S122-F124 VanDerWaalsContact C-N 3.35Å; F124-K126 PolarHBondContact O-N 2.91Å; F124-Y127 PolarHBondContact O-N 3.26Å; F124-Y127 VanDerWaalsContact O-N 3.14Å; F124-E128 PolarHBondContact O-N 3.28Å
125S77.8Confident81.3Confident17 Ų1772.5 Ų72.512%0.11935%0.353CS..Hα-helixtrans-59.3-34173.6-1770000112.8F129 T208S125-F129 WeakPolarHBondContact O-CB 3.5Å; S125-F129 PolarHBondContact O-N 2.96Å; S125-F129 VanDerWaalsContact O-N 3.07Å; S125-T208 WeakPolarHBondContact OG-CG2 3.29Å
126K82.2Confident82.2Confident81 Ų8170.2 Ų70.235%0.35234%0.343SS..Hα-helixtrans-67.6-44.4174.5-69.2173.5-176.1176.30111.9S122 R123 F124 F129 I130 W210S122-K126 WeakPolarHBondContact O-CG 3.31Å; S122-K126 PolarHBondContact O-N 2.87Å; R123-K126 WeakPolarHBondContact O-CB 3.26Å; R123-K126 PolarHBondContact O-N 2.88Å; F124-K126 PolarHBondContact O-N 2.91Å; K126-F129 PolarHBondContact O-N 2.87Å; K126-I130 WeakPolarHBondContact O-CG1 3.41Å; K126-I130 PolarHBondContact O-N 3.37Å; K126-W210 HydrophobicContact CD-CE3 4.48Å; K126-W210 HydrophobicContact CG-CD2 4.37Å; K126-W210 HydrophobicContact CG-CE3 4.31Å; K126-W210 HydrophobicContact CG-CH2 4.33Å; K126-W210 HydrophobicContact CG-CZ2 4.39Å; K126-W210 HydrophobicContact CG-CZ3 4.29Å
127Y85.4Confident83.4Confident137 Ų13768.6 Ų68.654%0.53733%0.334SS..Hα-helixtrans-61.2-47.6177.2-70.5-60.2000111.2R123 F124 F129 I130 F131R123-Y127 HydrophobicContact CB-CE2 4.22Å; R123-Y127 WeakPolarHBondContact O-CD2 3.16Å; R123-Y127 PolarHBondContact O-N 3.13Å; R123-Y127 VanDerWaalsContact O-N 3.1Å; F124-Y127 PolarHBondContact O-N 3.26Å; F124-Y127 VanDerWaalsContact O-N 3.14Å; Y127-F129 VanDerWaalsContact C-N 3.29Å; Y127-F129 PolarHBondContact O-N 3.39Å; Y127-I130 PolarHBondContact O-N 3.43Å; Y127-F131 WeakPolarHBondContact O-CD2 2.94Å; Y127-F131 PolarHBondContact O-N 2.94Å
128E86.3Confident84.4Confident3 Ų363.4 Ų63.41%0.01432%0.319CS..Hα-helixtrans-57.9-42.5176.9-174-162.9153.900112K16 F103 M107 Y111 Y118 F124 F131 S132K16-E128 WeakPolarHBondContact CE-OE1 3.22Å; K16-E128 IonicContact NZ-OE1 2.76Å; K16-E128 PolarHBondContact NZ-OE1 2.89Å; K16-E128 IonicContact NZ-OE2 3.24Å; K16-E128 PolarHBondContact NZ-OE2 3.38Å; F103-E128 HydrophobicContact CZ-CG 4.38Å; M107-E128 HydrophobicContact CE-CB 4.01Å; M107-E128 VanDerWaalsContact CE-CD 3.46Å; M107-E128 HydrophobicContact CE-CG 3.47Å; M107-E128 VanDerWaalsContact CE-CG 3.47Å; M107-E128 HydrophobicContact SD-CG 4.33Å; Y111-E128 PolarHBondContact OH-OE1 3.34Å; Y111-E128 PolarHBondContact OH-OE2 2.82Å; Y118-E128 WeakPolarHBondContact CE2-OE2 3.28Å; Y118-E128 PolarHBondContact OH-OE2 3.44Å; F124-E128 PolarHBondContact O-N 3.28Å; E128-F131 PolarHBondContact O-N 3.19Å; E128-S132 WeakPolarHBondContact O-CB 3.42Å; E128-S132 PolarHBondContact O-N 2.91Å; E128-S132 PolarHBondContact O-OG 3.26Å
129F86.8Confident85.6Confident28 Ų2862.7 Ų62.712%0.12332%0.316CS..Hα-helixtrans-60.7-46.1177-177.7-103.9000112S125 K126 Y127 S132 I133 L201 I204 W205 W210S125-F129 WeakPolarHBondContact O-CB 3.5Å; S125-F129 PolarHBondContact O-N 2.96Å; S125-F129 VanDerWaalsContact O-N 3.07Å; K126-F129 PolarHBondContact O-N 2.87Å; Y127-F129 VanDerWaalsContact C-N 3.29Å; Y127-F129 PolarHBondContact O-N 3.39Å; F129-S132 WeakPolarHBondContact O-CB 3.34Å; F129-S132 PolarHBondContact O-N 3.47Å; F129-I133 HydrophobicContact CD1-CD1 3.81Å; F129-I133 HydrophobicContact CE1-CD1 3.44Å; F129-I133 VanDerWaalsContact CE1-CD1 3.44Å; F129-I133 HydrophobicContact CE1-CG1 4.45Å; F129-I133 HydrophobicContact CZ-CD1 3.87Å; F129-I133 WeakPolarHBondContact O-CG1 3.24Å; F129-I133 PolarHBondContact O-N 3.48Å; F129-L201 HydrophobicContact CD2-CD2 3.89Å; F129-L201 HydrophobicContact CE2-CD2 3.88Å; F129-I204 HydrophobicContact CB-CG2 4.23Å; F129-I204 HydrophobicContact CD2-CB 4.17Å; F129-I204 HydrophobicContact CD2-CG2 3.62Å; F129-I204 HydrophobicContact CE2-CG2 4.45Å; F129-I204 HydrophobicContact CG-CG2 4.35Å; F129-W205 HydrophobicContact CE2-CB 4.08Å; F129-W205 HydrophobicContact CZ-CB 4.39Å; F129-W210 HydrophobicContact CB-CZ2 4.3Å; F129-W210 AromaticContact CD1-CH2 3.64Å; F129-W210 HydrophobicContact CD1-CH2 3.64Å; F129-W210 AromaticContact CD1-CZ2 3.49Å; F129-W210 HydrophobicContact CD1-CZ2 3.49Å; F129-W210 VanDerWaalsContact CD1-CZ2 3.49Å; F129-W210 HydrophobicContact CE1-CH2 4.03Å; F129-W210 AromaticContact CE1-CZ2 3.9Å; F129-W210 HydrophobicContact CE1-CZ2 3.9Å; F129-W210 HydrophobicContact CG-CH2 4.47Å; F129-W210 AromaticContact CG-CZ2 3.96Å; F129-W210 HydrophobicContact CG-CZ2 3.96Å
130I90.2Very high86.9Confident93 Ų9361.6 Ų61.648%0.47731%0.311SS..Hα-helixtrans-62.5-47.7177.7-66.1165.5000110.9K126 Y127 S132 I133 V134K126-I130 WeakPolarHBondContact O-CG1 3.41Å; K126-I130 PolarHBondContact O-N 3.37Å; Y127-I130 PolarHBondContact O-N 3.43Å; I130-S132 VanDerWaalsContact C-N 3.3Å; I130-S132 PolarHBondContact O-N 3.46Å; I130-I133 PolarHBondContact O-N 3.17Å; I130-V134 PolarHBondContact O-N 2.93Å
131F90.5Very high88.1Confident116 Ų11662 Ų6251%0.50930%0.3SS..Hα-helixtrans-62.1-40.1177.5-82.1-67.9000111.9F103 Y127 E128 I133 V134 I135F103-F131 HydrophobicContact CE2-CB 3.72Å; F103-F131 HydrophobicContact CE2-CG 4.3Å; F103-F131 HydrophobicContact CZ-CB 3.93Å; Y127-F131 WeakPolarHBondContact O-CD2 2.94Å; Y127-F131 PolarHBondContact O-N 2.94Å; E128-F131 PolarHBondContact O-N 3.19Å; F131-I133 VanDerWaalsContact C-N 3.35Å; F131-I133 PolarHBondContact O-N 3.21Å; F131-V134 PolarHBondContact O-N 3.18Å; F131-I135 WeakPolarHBondContact O-CG1 3.35Å; F131-I135 PolarHBondContact O-N 3.09Å
132S90.8Very high89.2Confident1 Ų159.6 Ų59.61%0.00729%0.287CS..Hα-helixtrans-59.4-46176.5-63.40000110.9E128 F129 I130 V134 I135 V136 L201E128-S132 WeakPolarHBondContact O-CB 3.42Å; E128-S132 PolarHBondContact O-N 2.91Å; E128-S132 PolarHBondContact O-OG 3.26Å; F129-S132 WeakPolarHBondContact O-CB 3.34Å; F129-S132 PolarHBondContact O-N 3.47Å; I130-S132 VanDerWaalsContact C-N 3.3Å; I130-S132 PolarHBondContact O-N 3.46Å; S132-V134 VanDerWaalsContact C-N 3.32Å; S132-V134 PolarHBondContact O-N 3.44Å; S132-I135 PolarHBondContact O-N 3.06Å; S132-I135 VanDerWaalsContact O-N 3.17Å; S132-V136 WeakPolarHBondContact O-CG2 3.35Å; S132-V136 PolarHBondContact O-N 3.45Å; S132-L201 VanDerWaalsContact CB-CD2 3.5Å
133I92.3Very high90.3Very high60 Ų6056.3 Ų56.331%0.30826%0.264SS..Hα-helixtrans-55.9-46.6175.6-69.2165.7000111.4F129 I130 F131 I135 V136 L137 L201F129-I133 HydrophobicContact CD1-CD1 3.81Å; F129-I133 HydrophobicContact CE1-CD1 3.44Å; F129-I133 VanDerWaalsContact CE1-CD1 3.44Å; F129-I133 HydrophobicContact CE1-CG1 4.45Å; F129-I133 HydrophobicContact CZ-CD1 3.87Å; F129-I133 WeakPolarHBondContact O-CG1 3.24Å; F129-I133 PolarHBondContact O-N 3.48Å; I130-I133 PolarHBondContact O-N 3.17Å; F131-I133 VanDerWaalsContact C-N 3.35Å; F131-I133 PolarHBondContact O-N 3.21Å; I133-I135 VanDerWaalsContact C-N 3.34Å; I133-I135 PolarHBondContact O-N 3.34Å; I133-V136 PolarHBondContact O-N 3.34Å; I133-L137 HydrophobicContact CG2-CD1 3.98Å; I133-L137 HydrophobicContact CG2-CG 4.43Å; I133-L137 WeakPolarHBondContact O-CG 3.19Å; I133-L137 PolarHBondContact O-N 3.16Å; I133-L201 HydrophobicContact CG1-CD1 3.99Å; I133-L201 HydrophobicContact CG1-CD2 3.89Å
134V94.5Very high91.1Very high74 Ų7451.6 Ų51.645%0.44825%0.254SS..Hα-helixtrans-60.9-44.6179175.70000110.8I130 F131 S132 L137 L138I130-V134 PolarHBondContact O-N 2.93Å; F131-V134 PolarHBondContact O-N 3.18Å; S132-V134 VanDerWaalsContact C-N 3.32Å; S132-V134 PolarHBondContact O-N 3.44Å; V134-L137 PolarHBondContact O-N 3.17Å; V134-L138 HydrophobicContact CG1-CD1 3.9Å; V134-L138 HydrophobicContact CG1-CG 4.35Å; V134-L138 WeakPolarHBondContact O-CB 3.27Å; V134-L138 VanDerWaalsContact O-CG 3.29Å; V134-L138 WeakPolarHBondContact O-CG 3.39Å; V134-L138 PolarHBondContact O-N 3.22Å
135I92.4Very high92Very high11 Ų1151.2 Ų51.26%0.05626%0.26CS..Hα-helixtrans-62-44.8177.1-68-65.8000111.5L99 T100 F131 S132 I133 L137 L138 W139 W197L99-I135 HydrophobicContact CD2-CD1 3.89Å; L99-I135 HydrophobicContact CG-CD1 3.99Å; T100-I135 HydrophobicContact CG2-CG2 3.98Å; T100-I135 WeakPolarHBondContact OG1-CG2 3.22Å; F131-I135 WeakPolarHBondContact O-CG1 3.35Å; F131-I135 PolarHBondContact O-N 3.09Å; S132-I135 PolarHBondContact O-N 3.06Å; S132-I135 VanDerWaalsContact O-N 3.17Å; I133-I135 VanDerWaalsContact C-N 3.34Å; I133-I135 PolarHBondContact O-N 3.34Å; I135-L137 PolarHBondContact O-N 3.27Å; I135-L138 PolarHBondContact O-N 2.86Å; I135-W139 VanDerWaalsContact O-CB 3.27Å; I135-W139 WeakPolarHBondContact O-CB 3.44Å; I135-W139 PolarHBondContact O-N 3.44Å; I135-W197 HydrophobicContact CB-CH2 4.39Å; I135-W197 HydrophobicContact CB-CZ3 4.37Å; I135-W197 HydrophobicContact CG2-CD2 4.21Å; I135-W197 HydrophobicContact CG2-CE3 4.32Å; I135-W197 HydrophobicContact CG2-CH2 3.89Å; I135-W197 HydrophobicContact CG2-CZ2 3.79Å; I135-W197 HydrophobicContact CG2-CZ3 4.16Å
136V93.6Very high92.9Very high12 Ų1250.4 Ų50.47%0.07325%0.254CS..Hα-helixtrans-59.9-46.4178.1-175.90000111.1S132 I133 W139 F140 W197 V198 L201S132-V136 WeakPolarHBondContact O-CG2 3.35Å; S132-V136 PolarHBondContact O-N 3.45Å; I133-V136 PolarHBondContact O-N 3.34Å; V136-W139 PolarHBondContact O-N 2.77Å; V136-F140 WeakPolarHBondContact O-CB 3.32Å; V136-F140 PolarHBondContact O-N 2.94Å; V136-W197 HydrophobicContact CB-CB 4.42Å; V136-W197 HydrophobicContact CG1-CB 4.35Å; V136-W197 HydrophobicContact CG2-CB 3.58Å; V136-W197 HydrophobicContact CG2-CD2 4.22Å; V136-W197 HydrophobicContact CG2-CE3 3.84Å; V136-W197 HydrophobicContact CG2-CG 4.16Å; V136-V198 HydrophobicContact CG1-CG2 3.78Å; V136-L201 HydrophobicContact CB-CD1 4.22Å; V136-L201 HydrophobicContact CG2-CD1 3.46Å; V136-L201 VanDerWaalsContact CG2-CD1 3.46Å; V136-L201 HydrophobicContact CG2-CG 4.05Å
137L95.6Very high93.6Very high99 Ų9947.8 Ų47.852%0.51825%0.247SC..Hα-helixtrans-64.2-46.2179.7-70175000111.5I133 V134 I135 W139 F140 I141I133-L137 HydrophobicContact CG2-CD1 3.98Å; I133-L137 HydrophobicContact CG2-CG 4.43Å; I133-L137 WeakPolarHBondContact O-CG 3.19Å; I133-L137 PolarHBondContact O-N 3.16Å; V134-L137 PolarHBondContact O-N 3.17Å; I135-L137 PolarHBondContact O-N 3.27Å; L137-W139 VanDerWaalsContact C-N 3.32Å; L137-W139 PolarHBondContact O-N 3.37Å; L137-F140 PolarHBondContact O-N 3.42Å; L137-I141 WeakPolarHBondContact O-CB 3.46Å; L137-I141 WeakPolarHBondContact O-CD1 3.32Å; L137-I141 VanDerWaalsContact O-CG1 3.22Å; L137-I141 WeakPolarHBondContact O-CG1 3.31Å; L137-I141 PolarHBondContact O-N 3.01Å
138L95.9Very high94.2Very high55 Ų5545.2 Ų45.229%0.28824%0.243SC..Hα-helixtrans-60.1-44.1175.8-73.7174.2000111.2F92 V96 V134 I135 I141 A142F92-L138 HydrophobicContact CZ-CD2 4.28Å; V96-L138 HydrophobicContact CG1-CB 4.04Å; V96-L138 HydrophobicContact CG2-CB 4.19Å; V134-L138 HydrophobicContact CG1-CD1 3.9Å; V134-L138 HydrophobicContact CG1-CG 4.35Å; V134-L138 WeakPolarHBondContact O-CB 3.27Å; V134-L138 VanDerWaalsContact O-CG 3.29Å; V134-L138 WeakPolarHBondContact O-CG 3.39Å; V134-L138 PolarHBondContact O-N 3.22Å; I135-L138 PolarHBondContact O-N 2.86Å; L138-I141 PolarHBondContact O-N 2.8Å; L138-A142 WeakPolarHBondContact O-CB 3.44Å; L138-A142 PolarHBondContact O-N 3.22Å
139W95.1Very high94.6Very high1 Ų146.3 Ų46.30%0.00425%0.249CC..Hα-helixtrans-66-40.6-179.8-165.1-73.6000112.2A27 A30 V96 T100 I135 V136 L137 S143 G190 N193 V194A27-W139 HydrophobicContact CB-CH2 3.56Å; A27-W139 HydrophobicContact CB-CZ2 4.43Å; A27-W139 HydrophobicContact CB-CZ3 3.98Å; A30-W139 HydrophobicContact CB-CH2 4.28Å; A30-W139 HydrophobicContact CB-CZ2 3.86Å; V96-W139 HydrophobicContact CG1-CB 4.04Å; V96-W139 HydrophobicContact CG1-CD2 4.25Å; V96-W139 HydrophobicContact CG1-CE3 3.68Å; V96-W139 HydrophobicContact CG1-CG 4.46Å; V96-W139 HydrophobicContact CG1-CZ3 4.45Å; V96-W139 WeakPolarHBondContact O-CZ3 3.49Å; T100-W139 HydrophobicContact CG2-CE3 4.08Å; T100-W139 HydrophobicContact CG2-CZ3 3.97Å; T100-W139 WeakPolarHBondContact OG1-CZ3 3.29Å; I135-W139 VanDerWaalsContact O-CB 3.27Å; I135-W139 WeakPolarHBondContact O-CB 3.44Å; I135-W139 PolarHBondContact O-N 3.44Å; V136-W139 PolarHBondContact O-N 2.77Å; L137-W139 VanDerWaalsContact C-N 3.32Å; L137-W139 PolarHBondContact O-N 3.37Å; W139-S143 PolarHBondContact NE1-OG 3.27Å; W139-S143 VanDerWaalsContact O-CB 3.29Å; W139-S143 WeakPolarHBondContact O-CB 3.27Å; W139-S143 PolarHBondContact O-N 3.39Å; W139-S143 PolarHBondContact O-OG 3.47Å; W139-G190 PolarHBondContact NE1-O 3.32Å; W139-N193 HydrophobicContact CD2-CB 4.41Å; W139-N193 VanDerWaalsContact CH2-ND2 3.31Å; W139-N193 WeakPolarHBondContact CH2-ND2 3.42Å; W139-N193 HydrophobicContact CZ2-CB 3.81Å; W139-N193 WeakPolarHBondContact CZ2-ND2 3.5Å; W139-N193 WeakPolarHBondContact CZ3-ND2 3.43Å; W139-V194 VanDerWaalsContact CD1-CG2 3.44Å; W139-V194 HydrophobicContact CG-CG2 4.41Å
140F96.6Very high95Very high98 Ų9845 Ų4543%0.4324%0.243SC..Hα-helixtrans-63.6-50.2175.5178.3-110.5000111.6V136 L137 A142 S143 C144 V194V136-F140 WeakPolarHBondContact O-CB 3.32Å; V136-F140 PolarHBondContact O-N 2.94Å; L137-F140 PolarHBondContact O-N 3.42Å; F140-A142 VanDerWaalsContact C-N 3.31Å; F140-A142 PolarHBondContact O-N 3.48Å; F140-S143 PolarHBondContact O-N 2.88Å; F140-C144 PolarHBondContact O-N 3.45Å; F140-C144 PolarHBondContact O-SG 3.44Å; F140-C144 VanDerWaalsContact O-SG 3.37Å; F140-V194 HydrophobicContact CB-CG1 4.24Å; F140-V194 HydrophobicContact CB-CG2 4.2Å; F140-V194 HydrophobicContact CD2-CG1 4.05Å; F140-V194 HydrophobicContact CD2-CG2 4.32Å
141I97.5Very high95.2Very high96 Ų9645.5 Ų45.549%0.49225%0.247SC..Hα-helixtrans-59.6-44.7177.7-66.3165000110.3F92 L137 L138 C144 A145F92-I141 HydrophobicContact CE1-CG2 4.16Å; L137-I141 WeakPolarHBondContact O-CB 3.46Å; L137-I141 WeakPolarHBondContact O-CD1 3.32Å; L137-I141 VanDerWaalsContact O-CG1 3.22Å; L137-I141 WeakPolarHBondContact O-CG1 3.31Å; L137-I141 PolarHBondContact O-N 3.01Å; L138-I141 PolarHBondContact O-N 2.8Å; I141-C144 PolarHBondContact O-N 2.89Å; I141-A145 WeakPolarHBondContact O-CB 3.18Å; I141-A145 PolarHBondContact O-N 2.87Å
142A97.1Very high95.4Very high1 Ų143 Ų431%0.00824%0.236CC..Hα-helixtrans-62.8-42.4177.800000112.3F92 Y93 V96 L138 F140 A145 W146F92-A142 HydrophobicContact CD1-CB 3.7Å; F92-A142 HydrophobicContact CE1-CB 3.53Å; F92-A142 HydrophobicContact CZ-CB 4.31Å; Y93-A142 HydrophobicContact CD2-CB 4.25Å; V96-A142 HydrophobicContact CB-CB 4.2Å; V96-A142 HydrophobicContact CG1-CB 4.47Å; V96-A142 HydrophobicContact CG2-CB 4.12Å; L138-A142 WeakPolarHBondContact O-CB 3.44Å; L138-A142 PolarHBondContact O-N 3.22Å; F140-A142 VanDerWaalsContact C-N 3.31Å; F140-A142 PolarHBondContact O-N 3.48Å; A142-A145 PolarHBondContact O-N 3.4Å; A142-W146 WeakPolarHBondContact O-CB 3.39Å; A142-W146 PolarHBondContact O-N 2.98Å
143S96.8Very high95.6Very high2 Ų243 Ų431%0.01424%0.236CC..Hα-helixtrans-65.2-40.9177.8-61.40000111.9W139 F140 W146 A147W139-S143 PolarHBondContact NE1-OG 3.27Å; W139-S143 VanDerWaalsContact O-CB 3.29Å; W139-S143 WeakPolarHBondContact O-CB 3.27Å; W139-S143 PolarHBondContact O-N 3.39Å; W139-S143 PolarHBondContact O-OG 3.47Å; F140-S143 PolarHBondContact O-N 2.88Å; S143-W146 PolarHBondContact O-N 2.93Å; S143-A147 VanDerWaalsContact O-CB 3.29Å; S143-A147 WeakPolarHBondContact O-CB 3.17Å; S143-A147 PolarHBondContact O-N 3.39Å
144C97.3Very high95.6Very high53 Ų5342.5 Ų42.536%0.35823%0.232SC..Hα-helixtrans-65.1-47.5175.2-70.70000112.1F140 I141 W146 A147 D148F140-C144 PolarHBondContact O-N 3.45Å; F140-C144 PolarHBondContact O-SG 3.44Å; F140-C144 VanDerWaalsContact O-SG 3.37Å; I141-C144 PolarHBondContact O-N 2.89Å; C144-W146 VanDerWaalsContact C-N 3.29Å; C144-W146 PolarHBondContact O-N 3.45Å; C144-A147 PolarHBondContact O-N 2.95Å; C144-D148 PolarHBondContact O-N 3.47Å; C144-D148 VanDerWaalsContact O-N 3.13Å
145A96.9Very high95.5Very high38 Ų3845 Ų4531%0.31424%0.236SC..Hα-helixtrans-61.7-39.717700000111.6A89 I141 A142 N149A89-A145 HydrophobicContact CB-CB 4.35Å; I141-A145 WeakPolarHBondContact O-CB 3.18Å; I141-A145 PolarHBondContact O-N 2.87Å; A142-A145 PolarHBondContact O-N 3.4Å; A145-N149 PolarHBondContact O-N 3.49Å; A145-N149 VanDerWaalsContact O-N 3.15Å
146W97.2Very high95.4Very high0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-69.4-39.9176.7-175.8-134000112.6T34 F64 A90 Y93 A142 S143 C144 D148 N149 V150 L183 S186 L187T34-W146 HydrophobicContact CG2-CH2 4.32Å; T34-W146 HydrophobicContact CG2-CZ2 3.69Å; T34-W146 PolarHBondContact OG1-NE1 3.29Å; F64-W146 HydrophobicContact CD1-CH2 4.49Å; F64-W146 AromaticContact CD2-CH2 3.62Å; F64-W146 HydrophobicContact CD2-CH2 3.62Å; F64-W146 HydrophobicContact CD2-CZ3 4.15Å; F64-W146 HydrophobicContact CE1-CH2 4.26Å; F64-W146 AromaticContact CE2-CH2 3.36Å; F64-W146 HydrophobicContact CE2-CH2 3.36Å; F64-W146 AromaticContact CE2-CZ2 3.93Å; F64-W146 HydrophobicContact CE2-CZ2 3.93Å; F64-W146 HydrophobicContact CE2-CZ3 4.27Å; F64-W146 HydrophobicContact CG-CH2 4.19Å; F64-W146 AromaticContact CZ-CH2 3.73Å; F64-W146 HydrophobicContact CZ-CH2 3.73Å; F64-W146 HydrophobicContact CZ-CZ2 4.09Å; A90-W146 HydrophobicContact CB-CE3 4.03Å; A90-W146 HydrophobicContact CB-CH2 3.95Å; A90-W146 HydrophobicContact CB-CZ3 3.56Å; Y93-W146 AromaticContact CD1-CD1 3.81Å; Y93-W146 HydrophobicContact CD1-CG 4.27Å; Y93-W146 HydrophobicContact CD2-CB 3.77Å; Y93-W146 AromaticContact CD2-CD1 3.85Å; Y93-W146 HydrophobicContact CD2-CG 4.03Å; Y93-W146 AromaticContact CE1-CD1 3.9Å; Y93-W146 HydrophobicContact CE2-CB 4.44Å; Y93-W146 AromaticContact CE2-CD1 3.94Å; Y93-W146 HydrophobicContact CG-CB 3.96Å; Y93-W146 AromaticContact CG-CD1 3.78Å; Y93-W146 AromaticContact CG-CG 3.89Å; Y93-W146 HydrophobicContact CG-CG 3.89Å; Y93-W146 AromaticContact CZ-CD1 3.95Å; A142-W146 WeakPolarHBondContact O-CB 3.39Å; A142-W146 PolarHBondContact O-N 2.98Å; S143-W146 PolarHBondContact O-N 2.93Å; C144-W146 VanDerWaalsContact C-N 3.29Å; C144-W146 PolarHBondContact O-N 3.45Å; W146-D148 PolarHBondContact O-N 3.33Å; W146-N149 HydrophobicContact CE3-CB 4.1Å; W146-N149 HydrophobicContact CZ3-CB 4.31Å; W146-N149 PolarHBondContact O-N 3.43Å; W146-V150 HydrophobicContact CD2-CG2 3.68Å; W146-V150 HydrophobicContact CE3-CG2 4.04Å; W146-V150 HydrophobicContact CG-CG2 4.29Å; W146-V150 HydrophobicContact CH2-CG2 3.78Å; W146-V150 HydrophobicContact CZ2-CG2 3.47Å; W146-V150 VanDerWaalsContact CZ2-CG2 3.47Å; W146-V150 HydrophobicContact CZ3-CG2 4.06Å; W146-V150 WeakPolarHBondContact O-CB 3.32Å; W146-V150 VanDerWaalsContact O-CG2 3.29Å; W146-V150 WeakPolarHBondContact O-CG2 3.48Å; W146-V150 PolarHBondContact O-N 3.48Å; W146-L183 HydrophobicContact CH2-CD2 4.11Å; W146-L183 HydrophobicContact CZ2-CD2 3.62Å; W146-S186 PolarHBondContact NE1-OG 2.71Å; W146-S186 VanDerWaalsContact NE1-OG 3.08Å; W146-L187 HydrophobicContact CB-CD2 4.47Å; W146-L187 VanDerWaalsContact CD1-CD2 3.5Å; W146-L187 HydrophobicContact CG-CD2 4.09Å
147A97.2Very high95.2Very high25 Ų2546.4 Ų46.421%0.20724%0.24CC..Hα-helixtrans-59.5-44.8176.500000112.6S143 C144 V150 N151 L187 F191S143-A147 VanDerWaalsContact O-CB 3.29Å; S143-A147 WeakPolarHBondContact O-CB 3.17Å; S143-A147 PolarHBondContact O-N 3.39Å; C144-A147 PolarHBondContact O-N 2.95Å; A147-V150 PolarHBondContact O-N 2.89Å; A147-N151 PolarHBondContact O-N 2.94Å; A147-N151 VanDerWaalsContact O-N 3.07Å; A147-L187 VanDerWaalsContact CA-CD2 3.49Å; A147-L187 HydrophobicContact CB-CD1 4.29Å; A147-L187 HydrophobicContact CB-CD2 3.89Å; A147-F191 HydrophobicContact CB-CE2 4.11Å; A147-F191 HydrophobicContact CB-CZ 4.2Å
148D96.6Very high95Very high84 Ų8445.8 Ų45.845%0.44924%0.237SC..Hα-helixtrans-63.9-47176-174.557.9000111.4C144 W146 V150 N151 Q152C144-D148 PolarHBondContact O-N 3.47Å; C144-D148 VanDerWaalsContact O-N 3.13Å; W146-D148 PolarHBondContact O-N 3.33Å; D148-V150 PolarHBondContact O-N 3.48Å; D148-N151 WeakPolarHBondContact O-CB 3.37Å; D148-N151 PolarHBondContact O-N 3.42Å; D148-N151 VanDerWaalsContact O-N 3.12Å; D148-Q152 WeakPolarHBondContact O-CG 3.31Å; D148-Q152 PolarHBondContact O-N 3.35Å; D148-Q152 PolarHBondContact OD2-NE2 2.88Å
149N95.2Very high94.7Very high26 Ų2644.1 Ų44.114%0.13923%0.229CC..Hα-helixtrans-63.4-36.9177.8-86.518.2000113.2F86 A89 A145 W146 N151 Q152 F153F86-N149 HydrophobicContact CB-CB 4.32Å; F86-N149 HydrophobicContact CD1-CB 3.93Å; F86-N149 HydrophobicContact CG-CB 4.49Å; A89-N149 HydrophobicContact CB-CB 4.13Å; A89-N149 WeakPolarHBondContact CB-ND2 3.31Å; A145-N149 PolarHBondContact O-N 3.49Å; A145-N149 VanDerWaalsContact O-N 3.15Å; W146-N149 HydrophobicContact CE3-CB 4.1Å; W146-N149 HydrophobicContact CZ3-CB 4.31Å; W146-N149 PolarHBondContact O-N 3.43Å; N149-N151 VanDerWaalsContact C-N 3.34Å; N149-Q152 PolarHBondContact O-N 2.74Å; N149-F153 WeakPolarHBondContact O-CB 3.42Å; N149-F153 PolarHBondContact O-N 3Å
150V95.4Very high94.4Very high0 Ų047.7 Ų47.70%025%0.254CS..Hα-helixtrans-64.8-39.5173.9166.90000110.9W146 A147 D148 F153 K154 L183 L187W146-V150 HydrophobicContact CD2-CG2 3.68Å; W146-V150 HydrophobicContact CE3-CG2 4.04Å; W146-V150 HydrophobicContact CG-CG2 4.29Å; W146-V150 HydrophobicContact CH2-CG2 3.78Å; W146-V150 HydrophobicContact CZ2-CG2 3.47Å; W146-V150 VanDerWaalsContact CZ2-CG2 3.47Å; W146-V150 HydrophobicContact CZ3-CG2 4.06Å; W146-V150 WeakPolarHBondContact O-CB 3.32Å; W146-V150 VanDerWaalsContact O-CG2 3.29Å; W146-V150 WeakPolarHBondContact O-CG2 3.48Å; W146-V150 PolarHBondContact O-N 3.48Å; A147-V150 PolarHBondContact O-N 2.89Å; D148-V150 PolarHBondContact O-N 3.48Å; V150-F153 PolarHBondContact O-N 3.26Å; V150-K154 HydrophobicContact CG1-CD 4.26Å; V150-K154 VanDerWaalsContact O-CG 3.26Å; V150-K154 WeakPolarHBondContact O-CG 3.33Å; V150-K154 PolarHBondContact O-N 2.74Å; V150-L183 HydrophobicContact CG1-CB 3.86Å; V150-L183 HydrophobicContact CG1-CD1 4.31Å; V150-L183 HydrophobicContact CG2-CB 4.26Å; V150-L183 HydrophobicContact CG2-CD2 4.45Å; V150-L187 HydrophobicContact CB-CD1 4.13Å; V150-L187 HydrophobicContact CG1-CD1 3.94Å; V150-L187 HydrophobicContact CG2-CD2 4.26Å; V150-L187 HydrophobicContact CG2-CG 4.48Å
151N95.3Very high94Very high104 Ų10447.5 Ų47.556%0.55625%0.251SS*.Hα-helixtrans-64.8-45.8176.2-174.345.9000111.6A147 D148 N149 K154 K155A147-N151 PolarHBondContact O-N 2.94Å; A147-N151 VanDerWaalsContact O-N 3.07Å; D148-N151 WeakPolarHBondContact O-CB 3.37Å; D148-N151 PolarHBondContact O-N 3.42Å; D148-N151 VanDerWaalsContact O-N 3.12Å; N149-N151 VanDerWaalsContact C-N 3.34Å; N151-K154 PolarHBondContact O-N 2.64Å; N151-K155 PolarHBondContact O-N 3.44Å; N151-K155 VanDerWaalsContact O-N 3.1Å
152Q94.3Very high93.6Very high62 Ų6243 Ų4329%0.2923%0.228SC..Hα-helixtrans-62.5-46.3174.3-66.2-169.159.800111.4F86 D148 N149 K154 K155 Y156F86-Q152 HydrophobicContact CD1-CB 4.42Å; F86-Q152 HydrophobicContact CE1-CB 3.5Å; F86-Q152 VanDerWaalsContact CE1-CB 3.5Å; F86-Q152 HydrophobicContact CE1-CG 4.48Å; F86-Q152 HydrophobicContact CZ-CB 3.84Å; D148-Q152 WeakPolarHBondContact O-CG 3.31Å; D148-Q152 PolarHBondContact O-N 3.35Å; D148-Q152 PolarHBondContact OD2-NE2 2.88Å; N149-Q152 PolarHBondContact O-N 2.74Å; Q152-K154 VanDerWaalsContact C-N 3.33Å; Q152-K154 PolarHBondContact O-N 2.89Å; Q152-K155 WeakPolarHBondContact O-CA 3.31Å; Q152-K155 WeakPolarHBondContact O-CB 3.28Å; Q152-K155 PolarHBondContact O-N 3.22Å; Q152-Y156 HydrophobicContact CB-CD2 4.39Å; Q152-Y156 HydrophobicContact CB-CE2 4.3Å; Q152-Y156 WeakPolarHBondContact O-CD2 3.32Å; Q152-Y156 PolarHBondContact O-N 3.01Å
153F93.6Very high93.1Very high1 Ų143.5 Ų43.50%0.00423%0.231CC..Hα-helixtrans-53.7-48.3176.5177.3-90.3000111.5F37 F60 F64 I66 F86 N149 V150 K155 Y156 T157 Y180 L183F37-F153 HydrophobicContact CE1-CE1 4.28Å; F37-F153 HydrophobicContact CE1-CZ 4.48Å; F60-F153 HydrophobicContact CB-CE2 4.16Å; F60-F153 HydrophobicContact CB-CZ 3.71Å; F60-F153 HydrophobicContact CD1-CE2 4.33Å; F60-F153 HydrophobicContact CD1-CZ 4.43Å; F60-F153 HydrophobicContact CG-CE2 4.36Å; F60-F153 HydrophobicContact CG-CZ 4.02Å; F64-F153 HydrophobicContact CB-CD2 4.36Å; F64-F153 HydrophobicContact CB-CE2 4.41Å; F64-F153 AromaticContact CD1-CD2 3.96Å; F64-F153 HydrophobicContact CD1-CD2 3.96Å; F64-F153 AromaticContact CD1-CE2 3.63Å; F64-F153 HydrophobicContact CD1-CE2 3.63Å; F64-F153 HydrophobicContact CD1-CZ 4.01Å; F64-F153 HydrophobicContact CE1-CE2 4.45Å; F64-F153 HydrophobicContact CE1-CZ 4.42Å; F64-F153 HydrophobicContact CG-CE2 4.5Å; I66-F153 HydrophobicContact CD1-CD2 3.41Å; I66-F153 VanDerWaalsContact CD1-CD2 3.41Å; I66-F153 HydrophobicContact CD1-CE2 3.47Å; I66-F153 VanDerWaalsContact CD1-CE2 3.47Å; I66-F153 HydrophobicContact CD1-CG 4.45Å; I66-F153 HydrophobicContact CG1-CD2 4.19Å; I66-F153 HydrophobicContact CG1-CE2 3.95Å; F86-F153 HydrophobicContact CD2-CB 4.18Å; F86-F153 AromaticContact CD2-CD2 3.98Å; F86-F153 HydrophobicContact CD2-CD2 3.98Å; F86-F153 HydrophobicContact CE2-CB 4.35Å; F86-F153 HydrophobicContact CE2-CD2 4.46Å; N149-F153 WeakPolarHBondContact O-CB 3.42Å; N149-F153 PolarHBondContact O-N 3Å; V150-F153 PolarHBondContact O-N 3.26Å; F153-K155 VanDerWaalsContact C-N 3.33Å; F153-K155 PolarHBondContact O-N 3.35Å; F153-Y156 PolarHBondContact O-N 3.03Å; F153-T157 HydrophobicContact CD1-CG2 4.36Å; F153-T157 HydrophobicContact CD2-CG2 4.23Å; F153-T157 HydrophobicContact CE1-CG2 3.99Å; F153-T157 HydrophobicContact CE2-CG2 3.8Å; F153-T157 HydrophobicContact CG-CG2 4.45Å; F153-T157 HydrophobicContact CZ-CG2 3.67Å; F153-T157 WeakPolarHBondContact O-CB 3.47Å; F153-T157 WeakPolarHBondContact O-CG2 3.26Å; F153-T157 PolarHBondContact O-N 3.38Å; F153-T157 PolarHBondContact O-OG1 3.43Å; F153-Y180 HydrophobicContact CD1-CD1 4.38Å; F153-Y180 HydrophobicContact CD1-CE1 4.17Å; F153-Y180 HydrophobicContact CE1-CD1 4.22Å; F153-Y180 AromaticContact CE1-CE1 3.96Å; F153-Y180 HydrophobicContact CE1-CE1 3.96Å; F153-L183 HydrophobicContact CD1-CD1 3.55Å; F153-L183 HydrophobicContact CE1-CD1 3.69Å; F153-L183 HydrophobicContact CG-CD1 4.47Å
154K93.8Very high92.7Very high50 Ų5048.9 Ų48.922%0.21726%0.26CS..Hα-helixtrans-58.9-43.5175.2-72.9168.1-176166.50112V150 N151 Q152 Y156 T157 L158 Y180 N184V150-K154 HydrophobicContact CG1-CD 4.26Å; V150-K154 VanDerWaalsContact O-CG 3.26Å; V150-K154 WeakPolarHBondContact O-CG 3.33Å; V150-K154 PolarHBondContact O-N 2.74Å; N151-K154 PolarHBondContact O-N 2.64Å; Q152-K154 VanDerWaalsContact C-N 3.33Å; Q152-K154 PolarHBondContact O-N 2.89Å; K154-Y156 PolarHBondContact O-N 3.45Å; K154-T157 PolarHBondContact O-N 3.22Å; K154-L158 WeakPolarHBondContact O-CB 3.32Å; K154-L158 PolarHBondContact O-N 2.94Å; K154-Y180 HydrophobicContact CB-CE1 4.27Å; K154-Y180 HydrophobicContact CD-CG 4.28Å; K154-Y180 HydrophobicContact CG-CD1 3.57Å; K154-Y180 HydrophobicContact CG-CD2 4.02Å; K154-Y180 HydrophobicContact CG-CE1 3.78Å; K154-Y180 HydrophobicContact CG-CE2 4.23Å; K154-Y180 HydrophobicContact CG-CG 3.68Å; K154-Y180 PolarHBondContact O-OH 3.14Å; K154-N184 WeakPolarHBondContact CE-OD1 3.39Å; K154-N184 PolarHBondContact NZ-OD1 3.43Å
155K92.3Very high92.1Very high126 Ų12649 Ų4955%0.54826%0.255SS..Hα-helixtrans-63.2-41179.8-174.9-180178.3-178.90112.5N151 Q152 F153 R161N151-K155 PolarHBondContact O-N 3.44Å; N151-K155 VanDerWaalsContact O-N 3.1Å; Q152-K155 WeakPolarHBondContact O-CA 3.31Å; Q152-K155 WeakPolarHBondContact O-CB 3.28Å; Q152-K155 PolarHBondContact O-N 3.22Å; F153-K155 VanDerWaalsContact C-N 3.33Å; F153-K155 PolarHBondContact O-N 3.35Å; K155-R161 WeakPolarHBondContact O-CB 3.33Å
156Y89.9Confident91.5Very high54 Ų5447.2 Ų47.221%0.21224%0.24CC..Hα-helixtrans-80.7-27.8-179.7-71-70.9000113.6Y83 F86 Q152 F153 K154Y83-Y156 AromaticContact CD1-CE1 3.7Å; Y83-Y156 HydrophobicContact CD1-CE1 3.7Å; Y83-Y156 HydrophobicContact CD1-CE2 4.2Å; Y83-Y156 AromaticContact CD1-CZ 3.52Å; Y83-Y156 WeakPolarHBondContact CD1-OH 3.49Å; Y83-Y156 WeakPolarHBondContact CE1-OH 3.47Å; Y83-Y156 HydrophobicContact CG-CE1 4.36Å; F86-Y156 HydrophobicContact CE2-CD2 4.3Å; F86-Y156 AromaticContact CZ-CD2 3.69Å; F86-Y156 HydrophobicContact CZ-CD2 3.69Å; F86-Y156 HydrophobicContact CZ-CE2 4.1Å; Q152-Y156 HydrophobicContact CB-CD2 4.39Å; Q152-Y156 HydrophobicContact CB-CE2 4.3Å; Q152-Y156 WeakPolarHBondContact O-CD2 3.32Å; Q152-Y156 PolarHBondContact O-N 3.01Å; F153-Y156 PolarHBondContact O-N 3.03Å; K154-Y156 PolarHBondContact O-N 3.45Å
157T90.5Very high90.8Very high0 Ų053.2 Ų53.20%027%0.266CS..Hα-helixtrans-90.7-2.6176.757.70000113.9F60 I66 F153 K154 V159 I162 Y180F60-T157 HydrophobicContact CD1-CG2 4.06Å; F60-T157 HydrophobicContact CD2-CG2 4.15Å; F60-T157 HydrophobicContact CE1-CG2 3.83Å; F60-T157 HydrophobicContact CE2-CG2 3.93Å; F60-T157 HydrophobicContact CG-CG2 4.21Å; F60-T157 HydrophobicContact CZ-CG2 3.76Å; I66-T157 HydrophobicContact CD1-CG2 3.78Å; F153-T157 HydrophobicContact CD1-CG2 4.36Å; F153-T157 HydrophobicContact CD2-CG2 4.23Å; F153-T157 HydrophobicContact CE1-CG2 3.99Å; F153-T157 HydrophobicContact CE2-CG2 3.8Å; F153-T157 HydrophobicContact CG-CG2 4.45Å; F153-T157 HydrophobicContact CZ-CG2 3.67Å; F153-T157 WeakPolarHBondContact O-CB 3.47Å; F153-T157 WeakPolarHBondContact O-CG2 3.26Å; F153-T157 PolarHBondContact O-N 3.38Å; F153-T157 PolarHBondContact O-OG1 3.43Å; K154-T157 PolarHBondContact O-N 3.22Å; T157-V159 PolarHBondContact O-N 2.8Å; T157-I162 WeakPolarHBondContact O-CD1 3.29Å; T157-Y180 PolarHBondContact O-OH 2.93Å; T157-Y180 VanDerWaalsContact OG1-CE1 3.27Å; T157-Y180 WeakPolarHBondContact OG1-CE1 3.45Å; T157-Y180 PolarHBondContact OG1-OH 3.05Å
158L90.8Very high89.9Confident86 Ų8653.8 Ų53.845%0.4527%0.268SS..  trans-63.8128.7176.6-169.874.5000110.1K154 S160 R161 I162K154-L158 WeakPolarHBondContact O-CB 3.32Å; K154-L158 PolarHBondContact O-N 2.94Å; L158-S160 VanDerWaalsContact C-N 3.28Å; L158-S160 PolarHBondContact O-N 3.39Å; L158-R161 HydrophobicContact CB-CB 4.31Å; L158-R161 WeakPolarHBondContact O-CA 3.26Å; L158-R161 WeakPolarHBondContact O-CB 3.41Å; L158-R161 PolarHBondContact O-N 3.07Å; L158-I162 WeakPolarHBondContact O-CG1 3.39Å; L158-I162 PolarHBondContact O-N 3.2Å
159V89.8Confident88.8Confident19 Ų1953.5 Ų53.512%0.11527%0.266CS..Hα-helixtrans-53.1-44.5-177.8173.80000112.2V41 L43 T157 R161 I162 C163 A174 Q177V41-V159 HydrophobicContact CG1-CG2 4.03Å; L43-V159 HydrophobicContact CD2-CB 4.15Å; L43-V159 HydrophobicContact CD2-CG1 3.28Å; L43-V159 HydrophobicContact CD2-CG2 4.08Å; T157-V159 PolarHBondContact O-N 2.8Å; V159-R161 PolarHBondContact O-N 3.46Å; V159-I162 PolarHBondContact O-N 3.32Å; V159-I162 VanDerWaalsContact O-N 3.14Å; V159-C163 WeakPolarHBondContact O-CB 3.45Å; V159-C163 PolarHBondContact O-N 2.92Å; V159-C163 PolarHBondContact O-SG 3.12Å; V159-A174 HydrophobicContact CB-CB 4.17Å; V159-A174 HydrophobicContact CG1-CB 3.59Å; V159-A174 HydrophobicContact CG2-CB 3.8Å; V159-Q177 HydrophobicContact CG2-CG 4.22Å
160S88.6Confident87.8Confident77 Ų7760 Ų6054%0.53830%0.297SS..Hα-helixtrans-59-36.2178-45.60000112.4L158 N164L158-S160 VanDerWaalsContact C-N 3.28Å; L158-S160 PolarHBondContact O-N 3.39Å; S160-N164 WeakPolarHBondContact O-CB 3.31Å; S160-N164 PolarHBondContact O-N 3.2Å; S160-N164 VanDerWaalsContact O-N 3.15Å; S160-N164 PolarHBondContact O-ND2 2.91Å; S160-N164 PolarHBondContact O-OD1 2.88Å
161R87.7Confident87.2Confident94 Ų9464.2 Ų64.236%0.35532%0.317SS..Hα-helixtrans-71.8-43.8176.8-174.562.5-175.5-135.44.9111.1K155 L158 V159 N164 E165K155-R161 WeakPolarHBondContact O-CB 3.33Å; L158-R161 HydrophobicContact CB-CB 4.31Å; L158-R161 WeakPolarHBondContact O-CA 3.26Å; L158-R161 WeakPolarHBondContact O-CB 3.41Å; L158-R161 PolarHBondContact O-N 3.07Å; V159-R161 PolarHBondContact O-N 3.46Å; R161-N164 PolarHBondContact O-N 3.45Å; R161-E165 IonicContact CZ-OE1 2.87Å; R161-E165 IonicContact NE-OE1 2.64Å; R161-E165 PolarHBondContact NE-OE1 2.84Å; R161-E165 IonicContact NH2-OE1 2.74Å; R161-E165 PolarHBondContact NH2-OE1 3.46Å; R161-E165 WeakPolarHBondContact O-CG 3.39Å; R161-E165 PolarHBondContact O-N 3.38Å; R161-E165 VanDerWaalsContact O-N 3.13Å
162I88.2Confident86.8Confident1 Ų160.7 Ų60.71%0.00530%0.3CS..Hα-helixtrans-63.2-46.9178.8-56.5172.1000110.5V41 L43 W56 L71 M82 T157 L158 V159 N164 E165 V166V41-I162 HydrophobicContact CG1-CD1 4.12Å; L43-I162 HydrophobicContact CD1-CB 3.9Å; L43-I162 HydrophobicContact CD1-CG2 3.33Å; W56-I162 HydrophobicContact CH2-CD1 4.47Å; W56-I162 HydrophobicContact CH2-CG2 4.24Å; W56-I162 HydrophobicContact CZ3-CD1 4.3Å; W56-I162 HydrophobicContact CZ3-CG2 4.01Å; L71-I162 HydrophobicContact CD1-CG2 3.41Å; L71-I162 VanDerWaalsContact CD1-CG2 3.41Å; L71-I162 HydrophobicContact CD2-CG2 4.29Å; L71-I162 HydrophobicContact CG-CG2 4.5Å; M82-I162 HydrophobicContact CE-CB 4.42Å; M82-I162 HydrophobicContact CE-CD1 3.78Å; M82-I162 HydrophobicContact CE-CG1 3.6Å; M82-I162 HydrophobicContact CE-CG2 4.02Å; T157-I162 WeakPolarHBondContact O-CD1 3.29Å; L158-I162 WeakPolarHBondContact O-CG1 3.39Å; L158-I162 PolarHBondContact O-N 3.2Å; V159-I162 PolarHBondContact O-N 3.32Å; V159-I162 VanDerWaalsContact O-N 3.14Å; I162-N164 VanDerWaalsContact C-N 3.29Å; I162-N164 PolarHBondContact O-N 2.69Å; I162-E165 PolarHBondContact O-N 3.37Å; I162-V166 HydrophobicContact CG2-CG2 4.39Å; I162-V166 WeakPolarHBondContact O-CG2 3.47Å; I162-V166 PolarHBondContact O-N 3.33Å
163C88Confident86.5Confident12 Ų1262.4 Ų62.48%0.08131%0.308CS..Hα-helixtrans-55.8-43174.6-74.40000111.6V159 E165 V166 K167 P168 C172V159-C163 WeakPolarHBondContact O-CB 3.45Å; V159-C163 PolarHBondContact O-N 2.92Å; V159-C163 PolarHBondContact O-SG 3.12Å; C163-E165 VanDerWaalsContact C-N 3.29Å; C163-E165 PolarHBondContact O-N 3.36Å; C163-V166 PolarHBondContact O-N 3.01Å; C163-K167 PolarHBondContact O-N 3.3Å; C163-P168 WeakPolarHBondContact O-CD 3.22Å; C163-C172 VanDerWaalsContact CA-SG 3.58Å; C163-C172 HydrophobicContact CB-CB 3.71Å; C163-C172 WeakPolarHBondContact CB-SG 3.29Å; C163-C172 WeakPolarHBondContact SG-CB 3.46Å; C163-C172 CovalentContact SG-SG 2.04Å; C163-C172 PolarHBondContact SG-SG 3.27Å
164N87Confident86.2Confident115 Ų11563.5 Ų63.562%0.61532%0.318SS*.Hα-helixtrans-62.8-33.3176.8-71.8-14.4000113.2S160 R161 I162 K167S160-N164 WeakPolarHBondContact O-CB 3.31Å; S160-N164 PolarHBondContact O-N 3.2Å; S160-N164 VanDerWaalsContact O-N 3.15Å; S160-N164 PolarHBondContact O-ND2 2.91Å; S160-N164 PolarHBondContact O-OD1 2.88Å; R161-N164 PolarHBondContact O-N 3.45Å; I162-N164 VanDerWaalsContact C-N 3.29Å; I162-N164 PolarHBondContact O-N 2.69Å; N164-K167 WeakPolarHBondContact O-CG 3.46Å
165E85.1Confident86Confident54 Ų5464.6 Ų64.625%0.25233%0.329SS..Hα-helixtrans-78.6-30.9178.3-63.2-72.5159.100112.9L71 K80 R161 I162 C163 K167L71-E165 HydrophobicContact CD2-CB 3.59Å; K80-E165 IonicContact NZ-OE2 3.55Å; K80-E165 PolarHBondContact NZ-OE2 3.44Å; R161-E165 IonicContact CZ-OE1 2.87Å; R161-E165 IonicContact NE-OE1 2.64Å; R161-E165 PolarHBondContact NE-OE1 2.84Å; R161-E165 IonicContact NH2-OE1 2.74Å; R161-E165 PolarHBondContact NH2-OE1 3.46Å; R161-E165 WeakPolarHBondContact O-CG 3.39Å; R161-E165 PolarHBondContact O-N 3.38Å; R161-E165 VanDerWaalsContact O-N 3.13Å; I162-E165 PolarHBondContact O-N 3.37Å; C163-E165 VanDerWaalsContact C-N 3.29Å; C163-E165 PolarHBondContact O-N 3.36Å; E165-K167 PolarHBondContact O-N 2.89Å
166V84.7Confident85.8Confident1 Ų162 Ų621%0.00632%0.318CS..Hα-helixtrans-66.3-29.2172.4173.90000111.4Y45 L71 C74 I162 C163Y45-V166 HydrophobicContact CD1-CG1 4.5Å; Y45-V166 HydrophobicContact CD2-CG1 3.57Å; Y45-V166 HydrophobicContact CE2-CG1 3.75Å; Y45-V166 HydrophobicContact CG-CG1 3.98Å; L71-V166 HydrophobicContact CD1-CG2 3.84Å; L71-V166 HydrophobicContact CD2-CG2 3.96Å; L71-V166 HydrophobicContact CG-CG2 3.86Å; C74-V166 PolarHBondContact N-O 3.4Å; C74-V166 VanDerWaalsContact N-O 3.14Å; I162-V166 HydrophobicContact CG2-CG2 4.39Å; I162-V166 WeakPolarHBondContact O-CG2 3.47Å; I162-V166 PolarHBondContact O-N 3.33Å; C163-V166 PolarHBondContact O-N 3.01Å
167K83Confident85.8Confident127 Ų12766 Ų6655%0.55234%0.339SS*.  trans54.859.5-174.2-60.7-178.2179.8179.90112.9C163 N164 E165C163-K167 PolarHBondContact O-N 3.3Å; N164-K167 WeakPolarHBondContact O-CG 3.46Å; E165-K167 PolarHBondContact O-N 2.89Å
168P78.4Confident85.7Confident36 Ų3666.6 Ų66.623%0.23434%0.344CS..  trans-66.1145.2175.732.9-39.1000110.3C163 C172C163-P168 WeakPolarHBondContact O-CD 3.22Å; P168-C172 HydrophobicContact CB-CB 3.97Å; P168-C172 HydrophobicContact CG-CB 3.58Å
169N72.6Confident85.7Confident78 Ų7867.3 Ų67.342%0.41735%0.352SS..SBendtrans-86.9-27-177.2-73.9-34000113.9V46 Q48V46-N169 PolarHBondContact O-N 3.37Å; Q48-N169 WeakPolarHBondContact CB-ND2 3.48Å; Q48-N169 WeakPolarHBondContact CG-ND2 3.37Å; Q48-N169 PolarHBondContact N-ND2 2.95Å; Q48-N169 PolarHBondContact OE1-ND2 3.32Å
170M73.7Confident85.9Confident162 Ų16268.3 Ų68.380%0.79835%0.354SS*.SBendtrans-131.8-45.2-169.1-154.8170.4114.800113.1
171H83.3Confident86.1Confident90 Ų9066.9 Ų66.942%0.41735%0.351SS..  trans-154.8141.9-179.8-153.759000111.9Y45 V46Y45-H171 WeakPolarHBondContact CA-O 2.95Å; V46-H171 PolarHBondContact N-O 3.49Å
172C86.6Confident86.4Confident29 Ų2963.7 Ų63.720%0.19635%0.348CS..EExtended strand (participates in β ladder)trans-140.3115.8168-176.90000109.1K44 C163 P168K44-C172 CarbonylContact O-C 3.54Å; K44-C172 VanDerWaalsContact O-CA 3.3Å; K44-C172 WeakPolarHBondContact O-CA 2.89Å; C163-C172 VanDerWaalsContact CA-SG 3.58Å; C163-C172 HydrophobicContact CB-CB 3.71Å; C163-C172 WeakPolarHBondContact CB-SG 3.29Å; C163-C172 WeakPolarHBondContact SG-CB 3.46Å; C163-C172 CovalentContact SG-SG 2.04Å; C163-C172 PolarHBondContact SG-SG 3.27Å; P168-C172 HydrophobicContact CB-CB 3.97Å; P168-C172 HydrophobicContact CG-CB 3.58Å
173E88.5Confident86.7Confident99 Ų9963.7 Ų63.746%0.46335%0.347SS..EExtended strand (participates in β ladder)trans-120.2138.2-174.2-171.4-175.5-175.500110.2L43 K44 T175L43-E173 WeakPolarHBondContact CA-O 3.44Å; K44-E173 PolarHBondContact N-O 3.15Å; K44-E173 PolarHBondContact O-N 3.3Å; E173-T175 PolarHBondContact O-N 3.36Å
174A88.1Confident87Confident24 Ų2466.3 Ų66.320%0.19836%0.361CS..EExtended strand (participates in β ladder)trans-76.9112.817100000110K42 V159 Q177K42-A174 CarbonylContact O-C 3.53Å; V159-A174 HydrophobicContact CB-CB 4.17Å; V159-A174 HydrophobicContact CG1-CB 3.59Å; V159-A174 HydrophobicContact CG2-CB 3.8Å; A174-Q177 HydrophobicContact CB-CG 3.68Å
175T88.7Confident87.5Confident73 Ų7362.3 Ų62.345%0.44834%0.344SS..EExtended strand (participates in β ladder)trans-77.8-30.6166.4-55.70000111.1K42 K44 E173K42-T175 PolarHBondContact O-N 3.43Å; K44-T175 VanDerWaalsContact CD-OG1 3.26Å; K44-T175 WeakPolarHBondContact CD-OG1 3.29Å; K44-T175 VanDerWaalsContact CE-OG1 3.26Å; K44-T175 WeakPolarHBondContact CE-OG1 3.42Å; K44-T175 WeakPolarHBondContact CG-OG1 3.39Å; E173-T175 PolarHBondContact O-N 3.36Å
176E89.5Confident88Confident70 Ų7059.8 Ų59.833%0.32733%0.332SS..EExtended strand (participates in β ladder)trans-145.2127.6177.4-166.6176.6161.900108.8S40 V41 K42S40-E176 WeakPolarHBondContact CB-OE1 3.4Å; V41-E176 WeakPolarHBondContact CA-O 3.27Å; K42-E176 HydrophobicContact CB-CB 3.75Å; K42-E176 HydrophobicContact CD-CB 4.23Å; K42-E176 WeakPolarHBondContact CD-OE2 3.06Å; K42-E176 WeakPolarHBondContact CE-OE2 3.36Å; K42-E176 HydrophobicContact CG-CB 3.98Å; K42-E176 PolarHBondContact N-O 3.15Å; K42-E176 IonicContact NZ-OE2 3.29Å; K42-E176 PolarHBondContact NZ-OE2 2.84Å; K42-E176 PolarHBondContact O-N 2.87Å; K42-E176 VanDerWaalsContact O-N 3.08Å
177Q88.7Confident88.5Confident140 Ų14061 Ų6165%0.65434%0.338SS*.PPolyproline II helixtrans-102.4143.4-179.6-60.5-172.211.500110.6V159 A174 T179V159-Q177 HydrophobicContact CG2-CG 4.22Å; A174-Q177 HydrophobicContact CB-CG 3.68Å; Q177-T179 PolarHBondContact O-N 2.88Å
178A88.4Confident89.2Confident12 Ų1260 Ų6010%0.09934%0.338CS..PPolyproline II helixtrans-66124.3175.600000110.9T39 V41 Y180T39-A178 HydrophobicContact CG2-CB 3.99Å; T39-A178 VanDerWaalsContact OG1-CA 3.27Å; T39-A178 WeakPolarHBondContact OG1-CA 3.48Å; V41-A178 HydrophobicContact CG2-CB 3.54Å; A178-Y180 HydrophobicContact CB-CE1 3.8Å; A178-Y180 HydrophobicContact CB-CE2 4.36Å; A178-Y180 WeakPolarHBondContact O-CE2 3.5Å
179T91.4Very high90Very high100 Ų10061 Ų6161%0.61334%0.338SS*.PPolyproline II helixtrans-87.6128.1167.855.50000110.3F37 T39 Q177F37-T179 WeakPolarHBondContact CE2-O 3.43Å; F37-T179 VanDerWaalsContact CZ-O 3.3Å; F37-T179 WeakPolarHBondContact CZ-O 3.31Å; T39-T179 PolarHBondContact OG1-N 3.28Å; T39-T179 VanDerWaalsContact OG1-N 3.14Å; T39-T179 PolarHBondContact OG1-O 2.96Å; Q177-T179 PolarHBondContact O-N 2.88Å
180Y93.4Very high91.1Very high41 Ų4157.2 Ų57.216%0.16132%0.318CS..  trans-103.311.3-177.8-52.3-71.2000113.9F153 K154 T157 A178 G182 L183 N184F153-Y180 HydrophobicContact CD1-CD1 4.38Å; F153-Y180 HydrophobicContact CD1-CE1 4.17Å; F153-Y180 HydrophobicContact CE1-CD1 4.22Å; F153-Y180 AromaticContact CE1-CE1 3.96Å; F153-Y180 HydrophobicContact CE1-CE1 3.96Å; K154-Y180 HydrophobicContact CB-CE1 4.27Å; K154-Y180 HydrophobicContact CD-CG 4.28Å; K154-Y180 HydrophobicContact CG-CD1 3.57Å; K154-Y180 HydrophobicContact CG-CD2 4.02Å; K154-Y180 HydrophobicContact CG-CE1 3.78Å; K154-Y180 HydrophobicContact CG-CE2 4.23Å; K154-Y180 HydrophobicContact CG-CG 3.68Å; K154-Y180 PolarHBondContact O-OH 3.14Å; T157-Y180 PolarHBondContact O-OH 2.93Å; T157-Y180 VanDerWaalsContact OG1-CE1 3.27Å; T157-Y180 WeakPolarHBondContact OG1-CE1 3.45Å; T157-Y180 PolarHBondContact OG1-OH 3.05Å; A178-Y180 HydrophobicContact CB-CE1 3.8Å; A178-Y180 HydrophobicContact CB-CE2 4.36Å; A178-Y180 WeakPolarHBondContact O-CE2 3.5Å; Y180-G182 PolarHBondContact O-N 3.4Å; Y180-L183 HydrophobicContact CD1-CD1 4.28Å; Y180-L183 PolarHBondContact O-N 2.94Å; Y180-N184 PolarHBondContact O-N 3.43Å
181G93.4Very high92.2Very high46 Ų4653.5 Ų53.547%0.47430%0.298SS..Hα-helixtrans-56.1-46.9-174.900000113.1L183 N184 A185G181-L183 PolarHBondContact O-N 3.22Å; G181-N184 PolarHBondContact O-N 3.21Å; G181-A185 WeakPolarHBondContact O-CB 3.41Å; G181-A185 PolarHBondContact O-N 3.31Å
182G93Very high92.8Very high28 Ų2851.9 Ų51.929%0.28930%0.295SS..Hα-helixtrans-63.3-37.217800000113.6Y180 A185 S186Y180-G182 PolarHBondContact O-N 3.4Å; G182-A185 PolarHBondContact O-N 3.36Å; G182-S186 PolarHBondContact O-N 2.89Å
183L94.3Very high93.1Very high0 Ų050.5 Ų50.50%029%0.285CS..Hα-helixtrans-68.2-38.3174.3-61.8179.9000112.2F37 F64 W146 V150 F153 Y180 G181 A185 S186 L187F37-L183 HydrophobicContact CB-CD2 4.2Å; F37-L183 HydrophobicContact CD1-CD1 4.33Å; F37-L183 HydrophobicContact CD1-CD2 3.81Å; F37-L183 HydrophobicContact CD1-CG 4Å; F37-L183 HydrophobicContact CD2-CD2 3.99Å; F37-L183 HydrophobicContact CD2-CG 3.78Å; F37-L183 HydrophobicContact CE1-CD1 3.78Å; F37-L183 HydrophobicContact CE1-CD2 4.1Å; F37-L183 HydrophobicContact CE1-CG 3.81Å; F37-L183 HydrophobicContact CE2-CB 4.49Å; F37-L183 HydrophobicContact CE2-CD1 4.27Å; F37-L183 HydrophobicContact CE2-CD2 4.32Å; F37-L183 HydrophobicContact CE2-CG 3.63Å; F37-L183 HydrophobicContact CG-CD2 3.71Å; F37-L183 HydrophobicContact CG-CG 3.94Å; F37-L183 HydrophobicContact CZ-CD1 3.74Å; F37-L183 HydrophobicContact CZ-CD2 4.35Å; F37-L183 HydrophobicContact CZ-CG 3.61Å; F64-L183 HydrophobicContact CE1-CD1 4.48Å; F64-L183 HydrophobicContact CE1-CD2 3.78Å; F64-L183 HydrophobicContact CZ-CD2 3.62Å; W146-L183 HydrophobicContact CH2-CD2 4.11Å; W146-L183 HydrophobicContact CZ2-CD2 3.62Å; V150-L183 HydrophobicContact CG1-CB 3.86Å; V150-L183 HydrophobicContact CG1-CD1 4.31Å; V150-L183 HydrophobicContact CG2-CB 4.26Å; V150-L183 HydrophobicContact CG2-CD2 4.45Å; F153-L183 HydrophobicContact CD1-CD1 3.55Å; F153-L183 HydrophobicContact CE1-CD1 3.69Å; F153-L183 HydrophobicContact CG-CD1 4.47Å; Y180-L183 HydrophobicContact CD1-CD1 4.28Å; Y180-L183 PolarHBondContact O-N 2.94Å; G181-L183 PolarHBondContact O-N 3.22Å; L183-A185 VanDerWaalsContact C-N 3.35Å; L183-S186 PolarHBondContact O-N 2.71Å; L183-S186 PolarHBondContact O-OG 3.02Å; L183-L187 WeakPolarHBondContact O-CG 3.35Å; L183-L187 PolarHBondContact O-N 3.46Å
184N96.1Very high93.4Very high68 Ų6846.6 Ų46.636%0.36427%0.268SS..Hα-helixtrans-65.2-41.8174.2-69.5-26.7000111.4K154 Y180 G181 S186 L187 I188K154-N184 WeakPolarHBondContact CE-OD1 3.39Å; K154-N184 PolarHBondContact NZ-OD1 3.43Å; Y180-N184 PolarHBondContact O-N 3.43Å; G181-N184 PolarHBondContact O-N 3.21Å; N184-S186 VanDerWaalsContact C-N 3.34Å; N184-L187 PolarHBondContact O-N 2.99Å; N184-I188 WeakPolarHBondContact O-CG1 3.42Å; N184-I188 PolarHBondContact O-N 3.29Å
185A95.7Very high93.7Very high31 Ų3148.4 Ų48.426%0.25628%0.283SS..Hα-helixtrans-60.7-43.6176.300000111.2G181 G182 L183 L187 I188 F189G181-A185 WeakPolarHBondContact O-CB 3.41Å; G181-A185 PolarHBondContact O-N 3.31Å; G182-A185 PolarHBondContact O-N 3.36Å; L183-A185 VanDerWaalsContact C-N 3.35Å; A185-L187 VanDerWaalsContact C-N 3.33Å; A185-L187 PolarHBondContact O-N 2.99Å; A185-I188 PolarHBondContact O-N 2.82Å; A185-I188 VanDerWaalsContact O-N 3.16Å; A185-F189 HydrophobicContact CB-CD2 4.41Å; A185-F189 HydrophobicContact CB-CE2 4.1Å; A185-F189 WeakPolarHBondContact O-CD2 3.06Å; A185-F189 WeakPolarHBondContact O-CG 2.96Å; A185-F189 PolarHBondContact O-N 2.87Å
186S95.9Very high93.8Very high0 Ų046.6 Ų46.60%027%0.27CS..Hα-helixtrans-61.2-40.3177.271.90000112.2T33 T34 Y93 W146 G182 L183 N184 I188 F189 G190T33-S186 WeakPolarHBondContact OG1-CA 3.49Å; T33-S186 WeakPolarHBondContact OG1-CB 3.34Å; T34-S186 VanDerWaalsContact OG1-CB 3.22Å; T34-S186 WeakPolarHBondContact OG1-CB 3.07Å; T34-S186 PolarHBondContact OG1-OG 2.93Å; Y93-S186 PolarHBondContact OH-O 2.76Å; W146-S186 PolarHBondContact NE1-OG 2.71Å; W146-S186 VanDerWaalsContact NE1-OG 3.08Å; G182-S186 PolarHBondContact O-N 2.89Å; L183-S186 PolarHBondContact O-N 2.71Å; L183-S186 PolarHBondContact O-OG 3.02Å; N184-S186 VanDerWaalsContact C-N 3.34Å; S186-I188 PolarHBondContact O-N 3.37Å; S186-F189 PolarHBondContact O-N 2.96Å; S186-G190 PolarHBondContact O-N 3.43Å
187L96.6Very high93.9Very high26 Ų2643.3 Ų43.314%0.13626%0.255CS..Hα-helixtrans-61.8-43.8173.5-62.8-177.4000112.7W146 A147 V150 L183 N184 A185 G190 F191W146-L187 HydrophobicContact CB-CD2 4.47Å; W146-L187 VanDerWaalsContact CD1-CD2 3.5Å; W146-L187 HydrophobicContact CG-CD2 4.09Å; A147-L187 VanDerWaalsContact CA-CD2 3.49Å; A147-L187 HydrophobicContact CB-CD1 4.29Å; A147-L187 HydrophobicContact CB-CD2 3.89Å; V150-L187 HydrophobicContact CB-CD1 4.13Å; V150-L187 HydrophobicContact CG1-CD1 3.94Å; V150-L187 HydrophobicContact CG2-CD2 4.26Å; V150-L187 HydrophobicContact CG2-CG 4.48Å; L183-L187 WeakPolarHBondContact O-CG 3.35Å; L183-L187 PolarHBondContact O-N 3.46Å; N184-L187 PolarHBondContact O-N 2.99Å; A185-L187 VanDerWaalsContact C-N 3.33Å; A185-L187 PolarHBondContact O-N 2.99Å; L187-G190 PolarHBondContact O-N 3.27Å; L187-F191 VanDerWaalsContact O-CD2 3.24Å; L187-F191 WeakPolarHBondContact O-CD2 3.49Å; L187-F191 PolarHBondContact O-N 3.17Å
188I97Very high94Very high107 Ų10740.4 Ų40.455%0.54925%0.247SC..Hα-helixtrans-60.6-49.4177.5-66.9165.5000110.2N184 A185 S186 G190 F191 T192N184-I188 WeakPolarHBondContact O-CG1 3.42Å; N184-I188 PolarHBondContact O-N 3.29Å; A185-I188 PolarHBondContact O-N 2.82Å; A185-I188 VanDerWaalsContact O-N 3.16Å; S186-I188 PolarHBondContact O-N 3.37Å; I188-G190 VanDerWaalsContact C-N 3.31Å; I188-G190 PolarHBondContact O-N 3.46Å; I188-F191 PolarHBondContact O-N 3.21Å; I188-T192 VanDerWaalsContact O-CB 3.24Å; I188-T192 WeakPolarHBondContact O-CB 3.22Å; I188-T192 PolarHBondContact O-N 3.37Å; I188-T192 PolarHBondContact O-OG1 2.59Å
189F95.9Very high94Very high56 Ų5641.7 Ų41.725%0.24626%0.257CS..Hα-helixtrans-61.8-40176.9-67.1-53.8000111.8I26 C29 A30 T33 A185 S186 T192 N193I26-F189 HydrophobicContact CD1-CD1 4.11Å; I26-F189 HydrophobicContact CD1-CE1 4.37Å; I26-F189 HydrophobicContact CG2-CB 4.16Å; I26-F189 HydrophobicContact CG2-CD1 4.27Å; I26-F189 VanDerWaalsContact CG2-O 3.23Å; I26-F189 WeakPolarHBondContact CG2-O 3.35Å; C29-F189 HydrophobicContact CB-CD1 3.99Å; C29-F189 HydrophobicContact CB-CD2 3.84Å; C29-F189 HydrophobicContact CB-CE1 4.03Å; C29-F189 HydrophobicContact CB-CE2 3.89Å; C29-F189 HydrophobicContact CB-CG 3.9Å; C29-F189 HydrophobicContact CB-CZ 3.99Å; A30-F189 HydrophobicContact CB-CB 3.75Å; T33-F189 HydrophobicContact CG2-CD2 4.37Å; T33-F189 HydrophobicContact CG2-CE2 4.15Å; A185-F189 HydrophobicContact CB-CD2 4.41Å; A185-F189 HydrophobicContact CB-CE2 4.1Å; A185-F189 WeakPolarHBondContact O-CD2 3.06Å; A185-F189 WeakPolarHBondContact O-CG 2.96Å; A185-F189 PolarHBondContact O-N 2.87Å; S186-F189 PolarHBondContact O-N 2.96Å; F189-T192 PolarHBondContact O-N 2.86Å; F189-N193 WeakPolarHBondContact O-CB 3.48Å; F189-N193 PolarHBondContact O-N 2.81Å
190G95.6Very high93.7Very high0 Ų037 Ų370%023%0.229CC..Hα-helixtrans-56-58.5175.200000112.8Y93 W139 S186 L187 I188 T192 N193 V194Y93-G190 WeakPolarHBondContact OH-CA 3.4Å; Y93-G190 PolarHBondContact OH-N 3.42Å; W139-G190 PolarHBondContact NE1-O 3.32Å; S186-G190 PolarHBondContact O-N 3.43Å; L187-G190 PolarHBondContact O-N 3.27Å; I188-G190 VanDerWaalsContact C-N 3.31Å; I188-G190 PolarHBondContact O-N 3.46Å; G190-T192 VanDerWaalsContact C-N 3.34Å; G190-T192 PolarHBondContact O-N 2.99Å; G190-N193 PolarHBondContact O-N 2.87Å; G190-V194 PolarHBondContact O-N 2.67Å; G190-V194 VanDerWaalsContact O-N 3.17Å
191F96Very high93.5Very high83 Ų8336.4 Ų36.436%0.36423%0.228SC..Hα-helixtrans-68.3-32.2-179.7-73-68.4000113A147 L187 I188 N193 V194 A195A147-F191 HydrophobicContact CB-CE2 4.11Å; A147-F191 HydrophobicContact CB-CZ 4.2Å; L187-F191 VanDerWaalsContact O-CD2 3.24Å; L187-F191 WeakPolarHBondContact O-CD2 3.49Å; L187-F191 PolarHBondContact O-N 3.17Å; I188-F191 PolarHBondContact O-N 3.21Å; F191-N193 VanDerWaalsContact C-N 3.31Å; F191-N193 PolarHBondContact O-N 3.21Å; F191-V194 WeakPolarHBondContact O-CB 3.36Å; F191-V194 PolarHBondContact O-N 2.9Å; F191-A195 PolarHBondContact O-N 3.19Å
192T95.9Very high93Very high57 Ų5741.5 Ų41.535%0.3523%0.233SC..Hα-helixtrans-61.3-42.7172.8-58.80000110.6I26 I188 F189 G190 V194 A195 L196I26-T192 HydrophobicContact CG2-CG2 4.3Å; I188-T192 VanDerWaalsContact O-CB 3.24Å; I188-T192 WeakPolarHBondContact O-CB 3.22Å; I188-T192 PolarHBondContact O-N 3.37Å; I188-T192 PolarHBondContact O-OG1 2.59Å; F189-T192 PolarHBondContact O-N 2.86Å; G190-T192 VanDerWaalsContact C-N 3.34Å; G190-T192 PolarHBondContact O-N 2.99Å; T192-V194 VanDerWaalsContact C-N 3.35Å; T192-V194 PolarHBondContact O-N 3.17Å; T192-A195 PolarHBondContact O-N 3.34Å; T192-L196 HydrophobicContact CG2-CD1 4.24Å; T192-L196 HydrophobicContact CG2-CG 4.48Å; T192-L196 WeakPolarHBondContact O-CG 3.31Å; T192-L196 PolarHBondContact O-N 3.36Å
193N93.9Very high92.4Very high0 Ų045 Ų450%024%0.241CC..Hα-helixtrans-64-40.7177-154.231.6000111.2E23 I26 W139 F189 G190 F191 A195 L196 W197E23-N193 WeakPolarHBondContact CA-OD1 3.05Å; E23-N193 PolarHBondContact O-OD1 3.48Å; I26-N193 HydrophobicContact CG2-CB 3.92Å; W139-N193 HydrophobicContact CD2-CB 4.41Å; W139-N193 VanDerWaalsContact CH2-ND2 3.31Å; W139-N193 WeakPolarHBondContact CH2-ND2 3.42Å; W139-N193 HydrophobicContact CZ2-CB 3.81Å; W139-N193 WeakPolarHBondContact CZ2-ND2 3.5Å; W139-N193 WeakPolarHBondContact CZ3-ND2 3.43Å; F189-N193 WeakPolarHBondContact O-CB 3.48Å; F189-N193 PolarHBondContact O-N 2.81Å; G190-N193 PolarHBondContact O-N 2.87Å; F191-N193 VanDerWaalsContact C-N 3.31Å; F191-N193 PolarHBondContact O-N 3.21Å; N193-A195 VanDerWaalsContact C-N 3.29Å; N193-A195 PolarHBondContact O-N 3.47Å; N193-L196 PolarHBondContact O-N 3.08Å; N193-W197 WeakPolarHBondContact O-CB 3.32Å; N193-W197 PolarHBondContact O-N 3.17Å
194V94.2Very high91.6Very high16 Ų1645.3 Ų45.310%0.09724%0.242CC..Hα-helixtrans-54.2-48.7172.4-178.70000110.7W139 F140 G190 F191 T192 L196 W197 V198W139-V194 VanDerWaalsContact CD1-CG2 3.44Å; W139-V194 HydrophobicContact CG-CG2 4.41Å; F140-V194 HydrophobicContact CB-CG1 4.24Å; F140-V194 HydrophobicContact CB-CG2 4.2Å; F140-V194 HydrophobicContact CD2-CG1 4.05Å; F140-V194 HydrophobicContact CD2-CG2 4.32Å; G190-V194 PolarHBondContact O-N 2.67Å; G190-V194 VanDerWaalsContact O-N 3.17Å; F191-V194 WeakPolarHBondContact O-CB 3.36Å; F191-V194 PolarHBondContact O-N 2.9Å; T192-V194 VanDerWaalsContact C-N 3.35Å; T192-V194 PolarHBondContact O-N 3.17Å; V194-L196 PolarHBondContact O-N 3.27Å; V194-W197 PolarHBondContact O-N 3.47Å; V194-V198 HydrophobicContact CG1-CG2 4.28Å; V194-V198 VanDerWaalsContact O-CG2 3.31Å; V194-V198 WeakPolarHBondContact O-CG2 3.49Å; V194-V198 PolarHBondContact O-N 3.22Å
195A93.7Very high90.7Very high62 Ų6247 Ų4751%0.51224%0.244SC..Hα-helixtrans-62.9-42.3-178.500000112.3F191 T192 N193 V198 A199F191-A195 PolarHBondContact O-N 3.19Å; T192-A195 PolarHBondContact O-N 3.34Å; N193-A195 VanDerWaalsContact C-N 3.29Å; N193-A195 PolarHBondContact O-N 3.47Å; A195-V198 PolarHBondContact O-N 3.43Å; A195-A199 WeakPolarHBondContact O-CB 3.13Å; A195-A199 PolarHBondContact O-N 3.03Å
196L92.4Very high89.7Confident36 Ų3649.9 Ų49.919%0.18825%0.251CS..Hα-helixtrans-60.6-47.2175.3-71.5171.3000111.3I19 I22 E23 I26 T192 N193 V194 V198 A199 G200I19-L196 WeakPolarHBondContact CD1-O 3.34Å; I22-L196 HydrophobicContact CG2-CD1 3.67Å; I22-L196 HydrophobicContact CG2-CD2 4.27Å; E23-L196 HydrophobicContact CG-CB 3.83Å; E23-L196 HydrophobicContact CG-CD1 4.49Å; I26-L196 HydrophobicContact CB-CD1 4.3Å; I26-L196 HydrophobicContact CG1-CD1 3.89Å; T192-L196 HydrophobicContact CG2-CD1 4.24Å; T192-L196 HydrophobicContact CG2-CG 4.48Å; T192-L196 WeakPolarHBondContact O-CG 3.31Å; T192-L196 PolarHBondContact O-N 3.36Å; N193-L196 PolarHBondContact O-N 3.08Å; V194-L196 PolarHBondContact O-N 3.27Å; L196-V198 PolarHBondContact O-N 3.28Å; L196-A199 WeakPolarHBondContact O-CB 3.41Å; L196-A199 PolarHBondContact O-N 3.27Å; L196-G200 PolarHBondContact O-N 3.28Å
197W89.8Confident88.4Confident1 Ų155.5 Ų55.50%0.00428%0.277CS..Hα-helixtrans-64.2-39.5178.8-89.895.3000113.1E23 T100 F103 C104 I135 V136 N193 V194 G200 L201E23-W197 HydrophobicContact CG-CG 4.45Å; E23-W197 WeakPolarHBondContact OE2-CZ2 3.41Å; T100-W197 HydrophobicContact CG2-CZ2 3.47Å; T100-W197 VanDerWaalsContact CG2-CZ2 3.47Å; F103-W197 AromaticContact CD1-CH2 3.68Å; F103-W197 HydrophobicContact CD1-CH2 3.68Å; F103-W197 HydrophobicContact CD1-CZ2 4.45Å; F103-W197 AromaticContact CE1-CH2 3.71Å; F103-W197 HydrophobicContact CE1-CH2 3.71Å; F103-W197 HydrophobicContact CE1-CZ3 4.27Å; C104-W197 VanDerWaalsContact SG-CZ2 3.51Å; I135-W197 HydrophobicContact CB-CH2 4.39Å; I135-W197 HydrophobicContact CB-CZ3 4.37Å; I135-W197 HydrophobicContact CG2-CD2 4.21Å; I135-W197 HydrophobicContact CG2-CE3 4.32Å; I135-W197 HydrophobicContact CG2-CH2 3.89Å; I135-W197 HydrophobicContact CG2-CZ2 3.79Å; I135-W197 HydrophobicContact CG2-CZ3 4.16Å; V136-W197 HydrophobicContact CB-CB 4.42Å; V136-W197 HydrophobicContact CG1-CB 4.35Å; V136-W197 HydrophobicContact CG2-CB 3.58Å; V136-W197 HydrophobicContact CG2-CD2 4.22Å; V136-W197 HydrophobicContact CG2-CE3 3.84Å; V136-W197 HydrophobicContact CG2-CG 4.16Å; N193-W197 WeakPolarHBondContact O-CB 3.32Å; N193-W197 PolarHBondContact O-N 3.17Å; V194-W197 PolarHBondContact O-N 3.47Å; W197-G200 PolarHBondContact O-N 3.35Å; W197-L201 WeakPolarHBondContact O-CB 3.16Å; W197-L201 WeakPolarHBondContact O-CG 3.33Å; W197-L201 PolarHBondContact O-N 3.1Å
198V91Very high86.9Confident79 Ų7954.9 Ų54.948%0.47927%0.274SS..Hα-helixtrans-64.5-42.6173.6170.10000110.8V136 V194 A195 L196 L201 W202V136-V198 HydrophobicContact CG1-CG2 3.78Å; V194-V198 HydrophobicContact CG1-CG2 4.28Å; V194-V198 VanDerWaalsContact O-CG2 3.31Å; V194-V198 WeakPolarHBondContact O-CG2 3.49Å; V194-V198 PolarHBondContact O-N 3.22Å; A195-V198 PolarHBondContact O-N 3.43Å; L196-V198 PolarHBondContact O-N 3.28Å; V198-L201 PolarHBondContact O-N 3.04Å; V198-W202 PolarHBondContact O-N 2.89Å
199A88.5Confident84.9Confident38 Ų3854.2 Ų54.231%0.31428%0.276SS..Hα-helixtrans-63.2-41.7174.600000111.6I19 A195 L196 W202 F203I19-A199 HydrophobicContact CD1-CB 4.32Å; A195-A199 WeakPolarHBondContact O-CB 3.13Å; A195-A199 PolarHBondContact O-N 3.03Å; L196-A199 WeakPolarHBondContact O-CB 3.41Å; L196-A199 PolarHBondContact O-N 3.27Å; A199-W202 WeakPolarHBondContact O-CB 3.22Å; A199-W202 PolarHBondContact O-N 2.96Å; A199-F203 WeakPolarHBondContact O-CD2 3.47Å; A199-F203 PolarHBondContact O-N 3.14Å
200G86.9Confident83.3Confident3 Ų357.4 Ų57.43%0.03129%0.287CS..Hα-helixtrans-61.8-44.3175.200000112.6L196 W197 W202 F203 I204L196-G200 PolarHBondContact O-N 3.28Å; W197-G200 PolarHBondContact O-N 3.35Å; G200-W202 VanDerWaalsContact C-N 3.3Å; G200-W202 PolarHBondContact O-N 3.31Å; G200-F203 PolarHBondContact O-N 3.07Å; G200-I204 VanDerWaalsContact O-CG1 3.31Å; G200-I204 WeakPolarHBondContact O-CG1 3.43Å; G200-I204 PolarHBondContact O-N 3.2Å
201L87.1Confident81.6Confident27 Ų2758.5 Ų58.514%0.14130%0.295CS..Hα-helixtrans-60-40.5173.2-79179.8000112.3F129 S132 I133 V136 W197 V198 I204 W205F129-L201 HydrophobicContact CD2-CD2 3.89Å; F129-L201 HydrophobicContact CE2-CD2 3.88Å; S132-L201 VanDerWaalsContact CB-CD2 3.5Å; I133-L201 HydrophobicContact CG1-CD1 3.99Å; I133-L201 HydrophobicContact CG1-CD2 3.89Å; V136-L201 HydrophobicContact CB-CD1 4.22Å; V136-L201 HydrophobicContact CG2-CD1 3.46Å; V136-L201 VanDerWaalsContact CG2-CD1 3.46Å; V136-L201 HydrophobicContact CG2-CG 4.05Å; W197-L201 WeakPolarHBondContact O-CB 3.16Å; W197-L201 WeakPolarHBondContact O-CG 3.33Å; W197-L201 PolarHBondContact O-N 3.1Å; V198-L201 PolarHBondContact O-N 3.04Å; L201-I204 PolarHBondContact O-N 3.24Å; L201-W205 VanDerWaalsContact O-CB 3.31Å; L201-W205 WeakPolarHBondContact O-CB 3.34Å; L201-W205 PolarHBondContact O-N 3.03Å
202W84.3Confident79.6Confident154 Ų15456.4 Ų56.458%0.58330%0.297SS*.Hα-helixtrans-60.5-46.1176.1171.6-93.4000111.8V198 A199 G200 W205 K206V198-W202 PolarHBondContact O-N 2.89Å; A199-W202 WeakPolarHBondContact O-CB 3.22Å; A199-W202 PolarHBondContact O-N 2.96Å; G200-W202 VanDerWaalsContact C-N 3.3Å; G200-W202 PolarHBondContact O-N 3.31Å; W202-W205 HydrophobicContact CE3-CE3 4.33Å; W202-W205 HydrophobicContact CH2-CZ3 4.28Å; W202-W205 HydrophobicContact CZ3-CE3 4.25Å; W202-W205 HydrophobicContact CZ3-CZ3 4.04Å; W202-W205 PolarHBondContact O-N 3.2Å; W202-K206 HydrophobicContact CD2-CG 4.5Å; W202-K206 HydrophobicContact CZ2-CD 4.3Å; W202-K206 HydrophobicContact CZ2-CG 4.27Å; W202-K206 WeakPolarHBondContact O-CG 3.27Å; W202-K206 PolarHBondContact O-N 3.04Å
203F80.4Confident77.5Confident101 Ų10155.7 Ų55.744%0.44329%0.291SS..Hα-helixtrans-61.8-47.9176-73.8-65000111.9A199 G200 W205 K206 E207A199-F203 WeakPolarHBondContact O-CD2 3.47Å; A199-F203 PolarHBondContact O-N 3.14Å; G200-F203 PolarHBondContact O-N 3.07Å; F203-W205 VanDerWaalsContact C-N 3.29Å; F203-W205 PolarHBondContact O-N 3.06Å; F203-K206 PolarHBondContact O-N 3Å; F203-K206 VanDerWaalsContact O-N 3.17Å; F203-E207 WeakPolarHBondContact O-CB 3.05Å; F203-E207 WeakPolarHBondContact O-CG 3.21Å; F203-E207 PolarHBondContact O-N 3.46Å
204I77.4Confident75.5Confident6 Ų660.5 Ų60.53%0.03132%0.316CS..Hα-helixtrans-60.1-42.2178.1-64165.7000110.6K16 F129 G200 L201 K206 E207 T208K16-I204 HydrophobicContact CD-CG1 4.42Å; F129-I204 HydrophobicContact CB-CG2 4.23Å; F129-I204 HydrophobicContact CD2-CB 4.17Å; F129-I204 HydrophobicContact CD2-CG2 3.62Å; F129-I204 HydrophobicContact CE2-CG2 4.45Å; F129-I204 HydrophobicContact CG-CG2 4.35Å; G200-I204 VanDerWaalsContact O-CG1 3.31Å; G200-I204 WeakPolarHBondContact O-CG1 3.43Å; G200-I204 PolarHBondContact O-N 3.2Å; L201-I204 PolarHBondContact O-N 3.24Å; I204-K206 PolarHBondContact O-N 2.73Å; I204-E207 PolarHBondContact O-N 3.41Å; I204-T208 HydrophobicContact CG2-CG2 4.01Å; I204-T208 WeakPolarHBondContact O-CB 2.99Å; I204-T208 WeakPolarHBondContact O-CG2 3.45Å; I204-T208 PolarHBondContact O-N 3.31Å; I204-T208 PolarHBondContact O-OG1 3.21Å
205W75.9Confident73.1Confident104 Ų10463.7 Ų63.739%0.39434%0.339SS..Hα-helixtrans-62.7-41.7178.1-179.472.7000112.1F129 L201 W202 F203 T208 S211F129-W205 HydrophobicContact CE2-CB 4.08Å; F129-W205 HydrophobicContact CZ-CB 4.39Å; L201-W205 VanDerWaalsContact O-CB 3.31Å; L201-W205 WeakPolarHBondContact O-CB 3.34Å; L201-W205 PolarHBondContact O-N 3.03Å; W202-W205 HydrophobicContact CE3-CE3 4.33Å; W202-W205 HydrophobicContact CH2-CZ3 4.28Å; W202-W205 HydrophobicContact CZ3-CE3 4.25Å; W202-W205 HydrophobicContact CZ3-CZ3 4.04Å; W202-W205 PolarHBondContact O-N 3.2Å; F203-W205 VanDerWaalsContact C-N 3.29Å; F203-W205 PolarHBondContact O-N 3.06Å; W205-T208 PolarHBondContact O-OG1 2.71Å; W205-S211 WeakPolarHBondContact O-CB 3.44Å; W205-S211 PolarHBondContact O-OG 2.99Å
206K75.3Confident71Confident92 Ų9266.8 Ų66.840%0.435%0.347SS..Hα-helixtrans-71.1-34.1179.2-73.5-66.8-62.7178.70113.9W202 F203 I204 N213W202-K206 HydrophobicContact CD2-CG 4.5Å; W202-K206 HydrophobicContact CZ2-CD 4.3Å; W202-K206 HydrophobicContact CZ2-CG 4.27Å; W202-K206 WeakPolarHBondContact O-CG 3.27Å; W202-K206 PolarHBondContact O-N 3.04Å; F203-K206 PolarHBondContact O-N 3Å; F203-K206 VanDerWaalsContact O-N 3.17Å; I204-K206 PolarHBondContact O-N 2.73Å; K206-N213 PolarHBondContact NZ-ND2 2.94Å
207E68.7Low69.1Low118 Ų11870.9 Ų70.955%0.55137%0.368SS*.Hα-helixtrans-86-11.7-175.5-70.7177.2-179.800113.8F203 I204F203-E207 WeakPolarHBondContact O-CB 3.05Å; F203-E207 WeakPolarHBondContact O-CG 3.21Å; F203-E207 PolarHBondContact O-N 3.46Å; I204-E207 PolarHBondContact O-N 3.41Å
208T65.8Low67.4Low13 Ų1371.6 Ų71.68%0.0838%0.376CS..SBendtrans-91.6133.1-173.544.90000112.3S125 I204 W205 W210 S211S125-T208 WeakPolarHBondContact OG-CG2 3.29Å; I204-T208 HydrophobicContact CG2-CG2 4.01Å; I204-T208 WeakPolarHBondContact O-CB 2.99Å; I204-T208 WeakPolarHBondContact O-CG2 3.45Å; I204-T208 PolarHBondContact O-N 3.31Å; I204-T208 PolarHBondContact O-OG1 3.21Å; W205-T208 PolarHBondContact O-OG1 2.71Å; T208-W210 PolarHBondContact O-N 3.06Å; T208-W210 PolarHBondContact OG1-NE1 3.07Å; T208-S211 WeakPolarHBondContact O-CB 3.46Å; T208-S211 PolarHBondContact O-N 3.07Å
209P54.8Low65.5Low92 Ų9273.3 Ų73.360%0.59739%0.389SS*.G310 helixtrans-58.7-28.8-171.8-25.632.5000115.5S211P209-S211 VanDerWaalsContact C-N 3.27Å; P209-S211 PolarHBondContact O-N 3.01Å
210W62.3Low63.9Low124 Ų12479.3 Ų79.347%0.4741%0.41SS..G310 helixtrans-71.3-9.317768.1-25.6000115.2K126 F129 T208 G212K126-W210 HydrophobicContact CD-CE3 4.48Å; K126-W210 HydrophobicContact CG-CD2 4.37Å; K126-W210 HydrophobicContact CG-CE3 4.31Å; K126-W210 HydrophobicContact CG-CH2 4.33Å; K126-W210 HydrophobicContact CG-CZ2 4.39Å; K126-W210 HydrophobicContact CG-CZ3 4.29Å; F129-W210 HydrophobicContact CB-CZ2 4.3Å; F129-W210 AromaticContact CD1-CH2 3.64Å; F129-W210 HydrophobicContact CD1-CH2 3.64Å; F129-W210 AromaticContact CD1-CZ2 3.49Å; F129-W210 HydrophobicContact CD1-CZ2 3.49Å; F129-W210 VanDerWaalsContact CD1-CZ2 3.49Å; F129-W210 HydrophobicContact CE1-CH2 4.03Å; F129-W210 AromaticContact CE1-CZ2 3.9Å; F129-W210 HydrophobicContact CE1-CZ2 3.9Å; F129-W210 HydrophobicContact CG-CH2 4.47Å; F129-W210 AromaticContact CG-CZ2 3.96Å; F129-W210 HydrophobicContact CG-CZ2 3.96Å; T208-W210 PolarHBondContact O-N 3.06Å; T208-W210 PolarHBondContact OG1-NE1 3.07Å; W210-G212 PolarHBondContact O-N 3.25Å
211S59.4Low62.2Low23 Ų2382.1 Ų82.116%0.16142%0.424CS..G310 helixtrans-69.2-6.8176.2135.80000113W205 T208 P209 N213W205-S211 WeakPolarHBondContact O-CB 3.44Å; W205-S211 PolarHBondContact O-OG 2.99Å; T208-S211 WeakPolarHBondContact O-CB 3.46Å; T208-S211 PolarHBondContact O-N 3.07Å; P209-S211 VanDerWaalsContact C-N 3.27Å; P209-S211 PolarHBondContact O-N 3.01Å; S211-N213 PolarHBondContact O-N 3.17Å; S211-N213 PolarHBondContact OG-ND2 2.84Å
212G53.5Low60.7Low39 Ų3985.4 Ų85.440%0.40244%0.441SS..SBendtrans72.16.5-179.400000114.2W210 S215W210-G212 PolarHBondContact O-N 3.25Å; G212-S215 PolarHBondContact O-OG 2.97Å
213N53.5Low59.2Low42 Ų4281.1 Ų81.123%0.22544%0.438CS..THydrogen-bonded Turntrans-80.1-18.7175.9-80.8-37.5000113.4K206 S211 S215 L216 L217K206-N213 PolarHBondContact NZ-ND2 2.94Å; S211-N213 PolarHBondContact O-N 3.17Å; S211-N213 PolarHBondContact OG-ND2 2.84Å; N213-S215 PolarHBondContact O-N 3.38Å; N213-L216 PolarHBondContact O-N 3Å; N213-L216 VanDerWaalsContact O-N 3.13Å; N213-L217 PolarHBondContact O-N 3.13Å
214N50.2Low58Low100 Ų10080.9 Ų80.954%0.53545%0.446SS..Hα-helixtrans-72-14.2175.3-75-0.3000113.1L216 G218N214-L216 VanDerWaalsContact C-N 3.25Å; N214-L216 PolarHBondContact O-N 3.39Å; N214-G218 WeakPolarHBondContact O-CA 3.43Å; N214-G218 PolarHBondContact O-N 3.49Å
215S44.8Very low57Low83 Ų8384.7 Ų84.758%0.5848%0.478SS*.Hα-helixtrans-80.9-1.417057.10000113.5G212 N213 N221G212-S215 PolarHBondContact O-OG 2.97Å; N213-S215 PolarHBondContact O-N 3.38Å; S215-N221 VanDerWaalsContact C-ND2 3.31Å; S215-N221 PolarHBondContact O-ND2 3.14Å
216L50.1Low56.2Low128 Ų12883.8 Ų83.867%0.6749%0.492SS*.Hα-helixtrans-111.9-20.9172.8-73.4168.2000113.2N213 N214 N221N213-L216 PolarHBondContact O-N 3Å; N213-L216 VanDerWaalsContact O-N 3.13Å; N214-L216 VanDerWaalsContact C-N 3.25Å; N214-L216 PolarHBondContact O-N 3.39Å; L216-N221 WeakPolarHBondContact O-CB 3.37Å
217L51.6Low55Low122 Ų12284.8 Ų84.864%0.63950%0.502SS*.Hα-helixtrans-1206.7-179.4-76.5158000113.9N213 I222N213-L217 PolarHBondContact O-N 3.13Å; L217-I222 WeakPolarHBondContact O-CD1 3.48Å
218G54.6Low54.3Low16 Ų1683 Ų8317%0.16552%0.515CS..SBendtrans-57.4151171.200000111.3N214 E220 N221 I222N214-G218 WeakPolarHBondContact O-CA 3.43Å; N214-G218 PolarHBondContact O-N 3.49Å; G218-E220 PolarHBondContact O-N 3.34Å; G218-N221 PolarHBondContact O-N 2.83Å; G218-I222 PolarHBondContact O-N 3Å
219P51Low53.4Low115 Ų11586.1 Ų86.175%0.74754%0.538SS*.Hα-helixtrans-54-24.6179.919.7-30.6000113.1A223P219-A223 VanDerWaalsContact O-CB 3.26Å; P219-A223 WeakPolarHBondContact O-CB 3.22Å; P219-A223 PolarHBondContact O-N 3Å; P219-A223 VanDerWaalsContact O-N 3.07Å
220E54.7Low52.9Low163 Ų16389.7 Ų89.776%0.76255%0.546SS*.Hα-helixtrans-66.9-33.1173.4-67.5-177.6134.400113.9G218 T224G218-E220 PolarHBondContact O-N 3.34Å; E220-T224 PolarHBondContact O-N 3.4Å; E220-T224 PolarHBondContact O-OG1 2.69Å
221N51.9Low51.7Low63 Ų6395.5 Ų95.534%0.33758%0.581SS.*Hα-helixtrans-90.1-26.9-179.4-61.9-57.5000113.2S215 L216 G218 T224 A225S215-N221 VanDerWaalsContact C-ND2 3.31Å; S215-N221 PolarHBondContact O-ND2 3.14Å; L216-N221 WeakPolarHBondContact O-CB 3.37Å; G218-N221 PolarHBondContact O-N 2.83Å; N221-T224 VanDerWaalsContact CA-OG1 3.25Å; N221-T224 WeakPolarHBondContact CA-OG1 3.28Å; N221-T224 PolarHBondContact O-OG1 3.31Å; N221-A225 VanDerWaalsContact O-CB 3.28Å; N221-A225 WeakPolarHBondContact O-CB 3.26Å; N221-A225 PolarHBondContact O-N 3.07Å
222I54.5Low51.3Low95 Ų9599.1 Ų99.149%0.48760%0.602SS.*Hα-helixtrans-73.4-36.4171.5-61175.8000109.8L217 G218 A226L217-I222 WeakPolarHBondContact O-CD1 3.48Å; G218-I222 PolarHBondContact O-N 3Å; I222-A226 WeakPolarHBondContact O-CB 3.25Å; I222-A226 PolarHBondContact O-N 3.21Å
223A54.1Low51.2Low64 Ų64102.3 Ų102.353%0.52961%0.613SS.*Hα-helixtrans-64.3-42.3172.200000112.1P219 D227P219-A223 VanDerWaalsContact O-CB 3.26Å; P219-A223 WeakPolarHBondContact O-CB 3.22Å; P219-A223 PolarHBondContact O-N 3Å; P219-A223 VanDerWaalsContact O-N 3.07Å; A223-D227 WeakPolarHBondContact O-CB 3.44Å; A223-D227 PolarHBondContact O-N 3.49Å; A223-D227 VanDerWaalsContact O-N 3.09Å
224T54.6Low51Low97 Ų97105.6 Ų105.660%0.59564%0.635SS**Hα-helixtrans-77.2-20.3178.333.50000114.6E220 N221E220-T224 PolarHBondContact O-N 3.4Å; E220-T224 PolarHBondContact O-OG1 2.69Å; N221-T224 VanDerWaalsContact CA-OG1 3.25Å; N221-T224 WeakPolarHBondContact CA-OG1 3.28Å; N221-T224 PolarHBondContact O-OG1 3.31Å
225A56Low51.1Low86 Ų86105.9 Ų105.971%0.71164%0.64SS**Hα-helixtrans-87.1-25171.900000113.3N221N221-A225 VanDerWaalsContact O-CB 3.28Å; N221-A225 WeakPolarHBondContact O-CB 3.26Å; N221-A225 PolarHBondContact O-N 3.07Å
226A58.9Low51.5Low84 Ų84107.4 Ų107.469%0.69464%0.644SS**Hα-helixtrans-80.5-27.8173.500000112.4I222 G228I222-A226 WeakPolarHBondContact O-CB 3.25Å; I222-A226 PolarHBondContact O-N 3.21Å; A226-G228 PolarHBondContact O-N 2.72Å; A226-G228 VanDerWaalsContact O-N 3.14Å
227D50.9Low51.6Low114 Ų114106 Ų10661%0.6164%0.642SS**  trans-83.183.4171.7-141.33.2000109.1A223 S229A223-D227 WeakPolarHBondContact O-CB 3.44Å; A223-D227 PolarHBondContact O-N 3.49Å; A223-D227 VanDerWaalsContact O-N 3.09Å; D227-S229 PolarHBondContact O-N 3.09Å
228G53Low51.6Low79 Ų79104.9 Ų104.981%0.81464%0.643SS**  trans-6636.7176.300000114.7A226 Q230A226-G228 PolarHBondContact O-N 2.72Å; A226-G228 VanDerWaalsContact O-N 3.14Å; G228-Q230 PolarHBondContact O-N 2.78Å
229S47.9Very low51.4Low80 Ų80111.7 Ų111.756%0.55968%0.679SS**  trans-96.994.2-178.362.60000111.8D227D227-S229 PolarHBondContact O-N 3.09Å
230Q42.7Very low51.4Low167 Ų167111.4 Ų111.478%0.7867%0.674SS**  trans44133138-50.1-144.2-60.400121.2G228G228-Q230 PolarHBondContact O-N 2.78Å
231M37.5Very low51.1Low245 Ų245106.7 Ų106.7100%1.20767%0.666SS**  trans21.60137.9-66.1-173.3-82.100118.4

Retrieved 231 of 231 residues in 63 ms (Link to these results)

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