A0A3Q0KHR6_SCHMA Loading...

DNA-(apurinic or apyrimidinic site) lyase

AlphaFold DB , UniProt , Accession A0A3Q0KHR6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 329 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
1M41.3Very low77.7Confident239 Ų239102.7 Ų102.7100%1.17752%0.521SS*.  0126.70-67.2173.8-165.800107.4Q3M1-Q3 PolarHBondContact O-N 3.47Å; M1-Q3 VanDerWaalsContact O-N 3.16Å
2K46.8Very low79.2Confident205 Ų20596.4 Ų96.489%0.89149%0.491SS*.  trans-60.5119170-75.3-177.7176.7-179.50106.7I4K2-I4 PolarHBondContact O-N 3.3Å
3Q52.4Low80.4Confident193 Ų19396.1 Ų96.190%0.90249%0.491SS*.  trans-58.1115.3166.9-83.3-179.4-11.100106.2M1 N5M1-Q3 PolarHBondContact O-N 3.47Å; M1-Q3 VanDerWaalsContact O-N 3.16Å; Q3-N5 PolarHBondContact O-N 3.3Å; Q3-N5 VanDerWaalsContact O-N 3.14Å
4I67Low81.3Confident132 Ų13290.9 Ų90.968%0.67747%0.467SS*.  trans-65.6115.8172.1-61.6173.6000105.2K2 N6K2-I4 PolarHBondContact O-N 3.3Å; I4-N6 WeakPolarHBondContact CG2-OD1 3.33Å; I4-N6 PolarHBondContact O-N 3.11Å; I4-N6 VanDerWaalsContact O-N 3.17Å
5N82Confident82Confident100 Ų10090.9 Ų90.954%0.53546%0.464SS..  trans-72.3107.8172.5-176.621.3000107.6Q3 W7Q3-N5 PolarHBondContact O-N 3.3Å; Q3-N5 VanDerWaalsContact O-N 3.14Å; N5-W7 PolarHBondContact O-N 2.95Å; N5-W7 WeakPolarHBondContact OD1-CB 3.46Å; N5-W7 PolarHBondContact OD1-N 3.21Å; N5-W7 VanDerWaalsContact OD1-N 3.15Å
6N90.7Very high82.8Confident14 Ų1486.3 Ų86.38%0.07544%0.441CS..  trans-84.64.8178.1-76.9-4.2000112.5I4 H8 Y63 L64 K66I4-N6 WeakPolarHBondContact CG2-OD1 3.33Å; I4-N6 PolarHBondContact O-N 3.11Å; I4-N6 VanDerWaalsContact O-N 3.17Å; N6-H8 PolarHBondContact O-CD2 3.03Å; N6-H8 VanDerWaalsContact O-CD2 3.23Å; N6-Y63 HydrophobicContact CB-CD2 3.94Å; N6-Y63 HydrophobicContact CB-CE1 4.21Å; N6-Y63 HydrophobicContact CB-CE2 3.43Å; N6-Y63 VanDerWaalsContact CB-CE2 3.43Å; N6-Y63 PolarHBondContact ND2-OH 3.15Å; N6-Y63 WeakPolarHBondContact O-CA 3.23Å; N6-L64 VanDerWaalsContact CB-O 3.31Å; N6-L64 WeakPolarHBondContact CB-O 3.37Å; N6-L64 PolarHBondContact O-N 3.24Å; N6-K66 WeakPolarHBondContact ND2-CG 3.38Å
7W94.1Very high83.6Confident26 Ų2681.4 Ų81.410%0.09842%0.416CS..EExtended strand (participates in β ladder)trans-88.7129.2173-68.296.6000110.8N5 E39 R50 R52 E61 Y62 Y63N5-W7 PolarHBondContact O-N 2.95Å; N5-W7 WeakPolarHBondContact OD1-CB 3.46Å; N5-W7 PolarHBondContact OD1-N 3.21Å; N5-W7 VanDerWaalsContact OD1-N 3.15Å; W7-E39 HydrophobicContact CH2-CB 3.99Å; W7-E39 HydrophobicContact CZ2-CB 4.44Å; W7-E39 WeakPolarHBondContact CZ2-OE2 3.41Å; W7-R50 HydrophobicContact CH2-CB 4.09Å; W7-R52 VanDerWaalsContact CD1-CZ 3.49Å; W7-R52 HydrophobicContact CD2-CG 4.33Å; W7-R52 HydrophobicContact CE3-CG 3.82Å; W7-R52 VanDerWaalsContact CG-CZ 3.45Å; W7-R52 HydrophobicContact CH2-CB 4.25Å; W7-R52 HydrophobicContact CH2-CG 3.99Å; W7-R52 HydrophobicContact CZ2-CG 4.47Å; W7-R52 HydrophobicContact CZ3-CB 4.17Å; W7-R52 HydrophobicContact CZ3-CG 3.64Å; W7-E61 HydrophobicContact CE3-CB 3.92Å; W7-Y62 WeakPolarHBondContact CA-O 3.4Å; W7-Y62 VanDerWaalsContact CE3-C 3.48Å; W7-Y63 AromaticContact CD2-CD2 4Å; W7-Y63 HydrophobicContact CD2-CD2 4Å; W7-Y63 AromaticContact CE2-CD2 3.61Å; W7-Y63 HydrophobicContact CG-CD2 4.3Å; W7-Y63 AromaticContact CZ2-CD2 3.91Å; W7-Y63 HydrophobicContact CZ2-CD2 3.91Å; W7-Y63 HydrophobicContact CZ2-CG 4.48Å; W7-Y63 AromaticContact NE1-CD2 3.68Å
8H94.4Very high84.4Confident47 Ų4777.4 Ų77.422%0.21840%0.396CS..EExtended strand (participates in β ladder)trans-122.7131.4-179.2-61.2-81.6000109.6N6 E61 Y62 L72N6-H8 PolarHBondContact O-CD2 3.03Å; N6-H8 VanDerWaalsContact O-CD2 3.23Å; H8-E61 CarbonylContact O-C 3.55Å; H8-E61 WeakPolarHBondContact O-CA 3.18Å; H8-Y62 HydrophobicContact CB-CD1 4.19Å; H8-Y62 HydrophobicContact CB-CE1 3.63Å; H8-Y62 HydrophobicContact CB-CE2 4Å; H8-Y62 PolarHBondContact N-O 3.36Å; H8-Y62 WeakPolarHBondContact O-CD1 3.37Å; H8-Y62 WeakPolarHBondContact O-CE1 3.28Å; H8-Y62 PolarHBondContact O-N 2.67Å; H8-L72 WeakPolarHBondContact CE1-CD2 3.48Å
9S95Very high85Confident61 Ų6173.4 Ų73.443%0.42738%0.375SS..EExtended strand (participates in β ladder)trans-74.1138177-48.30000111.1
10I96.5Very high85.6Confident1 Ų171 Ų711%0.00536%0.362CS..  trans-77.1124.4165.7-61.9-179.1000107V12 F17 V60 Y62 V75 L85I10-V12 HydrophobicContact CG2-CB 4.33Å; I10-V12 HydrophobicContact CG2-CG2 3.95Å; I10-V12 PolarHBondContact O-N 2.71Å; I10-F17 HydrophobicContact CD1-CE1 3.8Å; I10-F17 HydrophobicContact CG2-CD1 4.34Å; I10-F17 HydrophobicContact CG2-CE1 4.38Å; I10-V60 WeakPolarHBondContact CB-O 3.49Å; I10-V60 HydrophobicContact CD1-CB 4.3Å; I10-V60 HydrophobicContact CD1-CG1 3.94Å; I10-V60 PolarHBondContact N-O 2.8Å; I10-Y62 HydrophobicContact CD1-CD1 4.28Å; I10-Y62 HydrophobicContact CG1-CD1 3.63Å; I10-Y62 HydrophobicContact CG1-CE1 4.07Å; I10-V75 HydrophobicContact CG2-CG2 4.33Å; I10-L85 HydrophobicContact CG2-CD1 3.56Å; I10-L85 HydrophobicContact CG2-CD2 4.18Å
11P94.5Very high86Confident112 Ų11267.6 Ų67.673%0.72735%0.345SS*.SBendtrans-79.759-174.234.9-36.7000111.7V75P11-V75 VanDerWaalsContact CD-CG2 3.41Å; P11-V75 HydrophobicContact CG-CG2 4.17Å
12V96.3Very high88.7Confident27 Ų2756.2 Ų56.216%0.16429%0.289CS..SBendtrans-125.2137.9175.3176.70000108.5I10 D16 F17 L85I10-V12 HydrophobicContact CG2-CB 4.33Å; I10-V12 HydrophobicContact CG2-CG2 3.95Å; I10-V12 PolarHBondContact O-N 2.71Å; V12-D16 HydrophobicContact CG1-CB 3.89Å; V12-F17 HydrophobicContact CB-CB 4.3Å; V12-F17 HydrophobicContact CG1-CB 3.76Å; V12-L85 HydrophobicContact CG2-CD2 4.19Å
13D94.3Very high91.1Very high92 Ų9246.8 Ų46.849%0.49225%0.248SC..  trans-56.4132.4177.2-168.1-58.1000109.9Q15 D16 F17D13-Q15 PolarHBondContact O-N 3.41Å; D13-Q15 VanDerWaalsContact O-N 3.1Å; D13-Q15 WeakPolarHBondContact OD1-CB 3.27Å; D13-Q15 WeakPolarHBondContact OD1-CG 3.43Å; D13-Q15 PolarHBondContact OD1-N 3.3Å; D13-D16 CarbonylContact O-C 3.48Å; D13-D16 WeakPolarHBondContact O-CA 3.49Å; D13-D16 WeakPolarHBondContact O-CB 3.44Å; D13-D16 PolarHBondContact O-N 3.41Å; D13-F17 PolarHBondContact O-N 2.82Å
14P92.9Very high93Very high24 Ų2439.7 Ų39.716%0.15622%0.216CC..THydrogen-bonded Turntrans-57.1-24.1177.7-2636.1000114.2D16 F17 D56 S57 N58P14-D16 PolarHBondContact O-N 2.97Å; P14-F17 CarbonylContact O-C 3.43Å; P14-F17 PolarHBondContact O-N 3.45Å; P14-D56 VanDerWaalsContact CB-O 3.27Å; P14-D56 WeakPolarHBondContact CB-O 3.4Å; P14-S57 WeakPolarHBondContact CG-O 3.26Å; P14-N58 WeakPolarHBondContact CG-O 3.45Å
15Q91.2Very high94.3Very high90 Ų9033.4 Ų33.442%0.42118%0.184SC..THydrogen-bonded Turntrans-67.9-23.7171.9-57.8-66.1-50.700112.7D13 G118D13-Q15 PolarHBondContact O-N 3.41Å; D13-Q15 VanDerWaalsContact O-N 3.1Å; D13-Q15 WeakPolarHBondContact OD1-CB 3.27Å; D13-Q15 WeakPolarHBondContact OD1-CG 3.43Å; D13-Q15 PolarHBondContact OD1-N 3.3Å; Q15-G118 VanDerWaalsContact O-CA 3.22Å; Q15-G118 WeakPolarHBondContact O-CA 3.4Å; Q15-G118 PolarHBondContact O-N 3.38Å; Q15-G118 VanDerWaalsContact O-N 3.1Å
16D95.5Very high94.9Very high18 Ų1829.1 Ų29.110%0.09616%0.164CC..THydrogen-bonded Turntrans-104.5-6.4178.1-76.8-15.2000113.2V12 D13 P14 L89 S90 R120V12-D16 HydrophobicContact CG1-CB 3.89Å; D13-D16 CarbonylContact O-C 3.48Å; D13-D16 WeakPolarHBondContact O-CA 3.49Å; D13-D16 WeakPolarHBondContact O-CB 3.44Å; D13-D16 PolarHBondContact O-N 3.41Å; P14-D16 PolarHBondContact O-N 2.97Å; D16-L89 HydrophobicContact CB-CB 4.15Å; D16-S90 WeakPolarHBondContact OD1-CA 3.47Å; D16-S90 VanDerWaalsContact OD1-CB 3.25Å; D16-S90 WeakPolarHBondContact OD1-CB 3.33Å; D16-S90 PolarHBondContact OD1-N 3.46Å; D16-S90 PolarHBondContact OD1-OG 3.12Å; D16-S90 PolarHBondContact OD2-OG 3.45Å; D16-R120 PolarHBondContact O-NH1 3.33Å
17F97.3Very high95.2Very high2 Ų228.6 Ų28.61%0.00916%0.161CC..  trans-147.9100.4174-166.6-174.1000113.1I10 V12 D13 P14 L19 T22 Q53 V60 F83 L85 G118 R120I10-F17 HydrophobicContact CD1-CE1 3.8Å; I10-F17 HydrophobicContact CG2-CD1 4.34Å; I10-F17 HydrophobicContact CG2-CE1 4.38Å; V12-F17 HydrophobicContact CB-CB 4.3Å; V12-F17 HydrophobicContact CG1-CB 3.76Å; D13-F17 PolarHBondContact O-N 2.82Å; P14-F17 CarbonylContact O-C 3.43Å; P14-F17 PolarHBondContact O-N 3.45Å; F17-L19 HydrophobicContact CE2-CD1 4.38Å; F17-L19 HydrophobicContact CZ-CD1 4.34Å; F17-T22 HydrophobicContact CE2-CG2 4.41Å; F17-Q53 PolarHBondContact O-NE2 3.41Å; F17-V60 HydrophobicContact CB-CG2 4.43Å; F17-V60 HydrophobicContact CD1-CB 3.89Å; F17-V60 HydrophobicContact CD1-CG2 3.62Å; F17-V60 HydrophobicContact CD2-CG2 3.94Å; F17-V60 HydrophobicContact CE1-CB 3.76Å; F17-V60 HydrophobicContact CE1-CG1 3.9Å; F17-V60 HydrophobicContact CE1-CG2 3.75Å; F17-V60 HydrophobicContact CE2-CG2 4.05Å; F17-V60 HydrophobicContact CG-CB 4.48Å; F17-V60 HydrophobicContact CG-CG2 3.71Å; F17-V60 HydrophobicContact CZ-CB 4.25Å; F17-V60 HydrophobicContact CZ-CG1 4.05Å; F17-V60 HydrophobicContact CZ-CG2 3.96Å; F17-F83 HydrophobicContact CE1-CD2 4.42Å; F17-F83 HydrophobicContact CE1-CG 4.27Å; F17-F83 AromaticContact CE2-CD1 3.9Å; F17-F83 HydrophobicContact CE2-CD1 3.9Å; F17-F83 HydrophobicContact CE2-CE1 4.17Å; F17-F83 HydrophobicContact CE2-CG 4.35Å; F17-F83 HydrophobicContact CZ-CB 4.22Å; F17-F83 AromaticContact CZ-CD1 3.6Å; F17-F83 HydrophobicContact CZ-CD1 3.6Å; F17-F83 AromaticContact CZ-CD2 3.96Å; F17-F83 HydrophobicContact CZ-CD2 3.96Å; F17-F83 AromaticContact CZ-CE1 3.87Å; F17-F83 HydrophobicContact CZ-CE1 3.87Å; F17-F83 HydrophobicContact CZ-CE2 4.22Å; F17-F83 AromaticContact CZ-CG 3.65Å; F17-F83 HydrophobicContact CZ-CG 3.65Å; F17-F83 HydrophobicContact CZ-CZ 4.18Å; F17-L85 HydrophobicContact CD1-CD2 4.08Å; F17-L85 HydrophobicContact CE1-CD2 3.97Å; F17-G118 CarbonylContact C-O 3.55Å; F17-G118 VanDerWaalsContact CA-O 3.31Å; F17-G118 WeakPolarHBondContact CA-O 3.44Å; F17-R120 VanDerWaalsContact CD2-CD 3.5Å; F17-R120 HydrophobicContact CD2-CG 3.8Å; F17-R120 HydrophobicContact CE2-CG 4.33Å; F17-R120 HydrophobicContact CG-CG 4.31Å
18N96.4Very high95.3Very high11 Ų1127.8 Ų27.86%0.05916%0.159CC..  trans-105.6114.1168.3-174.6-83.5000109.5F20 S21 T22 D56 R117 G118N18-F20 PolarHBondContact OD1-N 2.8Å; N18-S21 WeakPolarHBondContact CB-OG 3.2Å; N18-S21 PolarHBondContact O-OG 3.21Å; N18-S21 WeakPolarHBondContact OD1-CB 3.11Å; N18-S21 PolarHBondContact OD1-N 3.24Å; N18-S21 PolarHBondContact OD1-OG 3.4Å; N18-T22 WeakPolarHBondContact O-CB 3.45Å; N18-T22 PolarHBondContact O-N 3.39Å; N18-T22 VanDerWaalsContact O-N 3.16Å; N18-T22 PolarHBondContact O-OG1 3.37Å; N18-D56 VanDerWaalsContact ND2-CG 3.33Å; N18-D56 PolarHBondContact ND2-OD1 3.28Å; N18-R117 WeakPolarHBondContact CB-O 3.48Å; N18-G118 PolarHBondContact N-O 3.08Å
19L97.4Very high95.4Very high1 Ų126 Ų261%0.00515%0.151CC..Hα-helixtrans-64.6-44.8-176.9-17364.9000110.9F17 S21 T22 L23 W40 L51 Q53 V60 F83F17-L19 HydrophobicContact CE2-CD1 4.38Å; F17-L19 HydrophobicContact CZ-CD1 4.34Å; L19-S21 PolarHBondContact O-N 3.06Å; L19-T22 PolarHBondContact O-N 3.12Å; L19-L23 HydrophobicContact CD1-CD1 3.64Å; L19-L23 HydrophobicContact CD1-CD2 4.34Å; L19-L23 HydrophobicContact CD1-CG 3.85Å; L19-L23 HydrophobicContact CD2-CD1 4.49Å; L19-L23 HydrophobicContact CG-CD1 3.82Å; L19-L23 HydrophobicContact CG-CG 4.19Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 VanDerWaalsContact O-CG 3.27Å; L19-L23 WeakPolarHBondContact O-CG 3.27Å; L19-L23 PolarHBondContact O-N 3.35Å; L19-W40 HydrophobicContact CD2-CG 4.3Å; L19-L51 HydrophobicContact CD1-CB 4.26Å; L19-L51 HydrophobicContact CD1-CD1 3.92Å; L19-L51 HydrophobicContact CD2-CB 3.93Å; L19-Q53 HydrophobicContact CB-CB 3.96Å; L19-Q53 HydrophobicContact CD2-CB 4.21Å; L19-V60 HydrophobicContact CB-CG1 4.43Å; L19-V60 HydrophobicContact CB-CG2 3.87Å; L19-V60 HydrophobicContact CD1-CG1 4.01Å; L19-V60 HydrophobicContact CD2-CG1 4.22Å; L19-V60 HydrophobicContact CG-CG1 4.46Å; L19-F83 HydrophobicContact CD1-CZ 4.48Å
20F95.2Very high95.5Very high25 Ų2523.4 Ų23.411%0.1113%0.132CC..Hα-helixtrans-60.3-52.5-175.5178.9-97.8000112N18 T22 L23 N24 W40 M310 F325N18-F20 PolarHBondContact OD1-N 2.8Å; F20-T22 VanDerWaalsContact C-N 3.34Å; F20-L23 PolarHBondContact O-N 3.29Å; F20-N24 WeakPolarHBondContact CE2-ND2 3.22Å; F20-N24 HydrophobicContact CZ-CB 4.44Å; F20-N24 WeakPolarHBondContact O-CB 3.14Å; F20-N24 PolarHBondContact O-N 3.2Å; F20-N24 PolarHBondContact O-ND2 2.88Å; F20-W40 AromaticContact CD2-CZ2 3.92Å; F20-W40 HydrophobicContact CD2-CZ2 3.92Å; F20-W40 HydrophobicContact CE2-CZ2 4.31Å; F20-M310 HydrophobicContact CE1-CE 4.37Å; F20-F325 AromaticContact CD2-CD2 3.96Å; F20-F325 HydrophobicContact CD2-CD2 3.96Å; F20-F325 AromaticContact CD2-CE1 3.96Å; F20-F325 HydrophobicContact CD2-CE1 3.96Å; F20-F325 AromaticContact CD2-CE2 3.26Å; F20-F325 HydrophobicContact CD2-CE2 3.26Å; F20-F325 AromaticContact CD2-CZ 3.25Å; F20-F325 HydrophobicContact CD2-CZ 3.25Å; F20-F325 AromaticContact CE2-CD2 3.96Å; F20-F325 HydrophobicContact CE2-CD2 3.96Å; F20-F325 HydrophobicContact CE2-CE1 4.44Å; F20-F325 AromaticContact CE2-CE2 3.03Å; F20-F325 HydrophobicContact CE2-CE2 3.03Å; F20-F325 AromaticContact CE2-CZ 3.34Å; F20-F325 HydrophobicContact CE2-CZ 3.34Å; F20-F325 HydrophobicContact CG-CE2 4.24Å; F20-F325 HydrophobicContact CG-CZ 4.4Å; F20-F325 AromaticContact CZ-CE2 3.84Å; F20-F325 HydrophobicContact CZ-CE2 3.84Å
21S95.1Very high95.5Very high0 Ų024.3 Ų24.30%014%0.135CC..Hα-helixtrans-65.7-39.3-179.171.50000111.5N18 L19 N24 S25 T115 L119N18-S21 WeakPolarHBondContact CB-OG 3.2Å; N18-S21 PolarHBondContact O-OG 3.21Å; N18-S21 WeakPolarHBondContact OD1-CB 3.11Å; N18-S21 PolarHBondContact OD1-N 3.24Å; N18-S21 PolarHBondContact OD1-OG 3.4Å; L19-S21 PolarHBondContact O-N 3.06Å; S21-N24 PolarHBondContact O-N 3.33Å; S21-S25 VanDerWaalsContact O-CB 3.26Å; S21-S25 WeakPolarHBondContact O-CB 3.41Å; S21-S25 PolarHBondContact O-N 3.27Å; S21-T115 WeakPolarHBondContact CB-O 3.38Å; S21-L119 WeakPolarHBondContact OG-CA 3.39Å; S21-L119 WeakPolarHBondContact OG-CB 3.31Å
22T97.8Very high95.6Very high0 Ų021.9 Ų21.90%012%0.118CC..Hα-helixtrans-59.1-51.8175.3-61.40000111.3F17 N18 L19 F20 N24 S25 F83 R120 L122F17-T22 HydrophobicContact CE2-CG2 4.41Å; N18-T22 WeakPolarHBondContact O-CB 3.45Å; N18-T22 PolarHBondContact O-N 3.39Å; N18-T22 VanDerWaalsContact O-N 3.16Å; N18-T22 PolarHBondContact O-OG1 3.37Å; L19-T22 PolarHBondContact O-N 3.12Å; F20-T22 VanDerWaalsContact C-N 3.34Å; T22-N24 PolarHBondContact O-N 3.11Å; T22-S25 PolarHBondContact O-OG 3.22Å; T22-F83 HydrophobicContact CG2-CD1 4.03Å; T22-F83 HydrophobicContact CG2-CE1 3.97Å; T22-R120 HydrophobicContact CG2-CB 4.11Å; T22-R120 PolarHBondContact OG1-N 3.45Å; T22-L122 HydrophobicContact CG2-CD2 3.62Å; T22-L122 HydrophobicContact CG2-CG 4.38Å
23L96.8Very high95.5Very high7 Ų723.3 Ų23.34%0.03712%0.122CC..Hα-helixtrans-76.3-19.3-175.4-59.8-171.2000113.9L19 F20 W31 W40 F83L19-L23 HydrophobicContact CD1-CD1 3.64Å; L19-L23 HydrophobicContact CD1-CD2 4.34Å; L19-L23 HydrophobicContact CD1-CG 3.85Å; L19-L23 HydrophobicContact CD2-CD1 4.49Å; L19-L23 HydrophobicContact CG-CD1 3.82Å; L19-L23 HydrophobicContact CG-CG 4.19Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 VanDerWaalsContact O-CG 3.27Å; L19-L23 WeakPolarHBondContact O-CG 3.27Å; L19-L23 PolarHBondContact O-N 3.35Å; F20-L23 PolarHBondContact O-N 3.29Å; L23-W31 HydrophobicContact CB-CB 4.22Å; L23-W31 HydrophobicContact CB-CG 4.34Å; L23-W31 HydrophobicContact CD1-CB 4.06Å; L23-W31 HydrophobicContact CD1-CD2 3.74Å; L23-W31 HydrophobicContact CD1-CE3 3.79Å; L23-W31 HydrophobicContact CD1-CG 3.88Å; L23-W31 HydrophobicContact CD2-CB 4.43Å; L23-W31 HydrophobicContact CD2-CD2 3.72Å; L23-W31 HydrophobicContact CD2-CE3 4.49Å; L23-W31 HydrophobicContact CD2-CG 3.66Å; L23-W31 HydrophobicContact CD2-CZ2 4.36Å; L23-W31 HydrophobicContact CG-CB 4.46Å; L23-W31 HydrophobicContact CG-CD2 4.3Å; L23-W31 HydrophobicContact CG-CG 4.15Å; L23-W40 HydrophobicContact CD1-CB 3.87Å; L23-W40 HydrophobicContact CD1-CD2 3.62Å; L23-W40 HydrophobicContact CD1-CE3 3.87Å; L23-W40 HydrophobicContact CD1-CG 3.63Å; L23-F83 HydrophobicContact CD2-CE1 4.03Å; L23-F83 HydrophobicContact CD2-CZ 4.3Å
24N93.5Very high95.5Very high44 Ų4421.1 Ų21.124%0.23511%0.11CC..Hα-helixtrans-107.69.5-179.9-68.8-90.7000114F20 S21 T22 G26 W40F20-N24 WeakPolarHBondContact CE2-ND2 3.22Å; F20-N24 HydrophobicContact CZ-CB 4.44Å; F20-N24 WeakPolarHBondContact O-CB 3.14Å; F20-N24 PolarHBondContact O-N 3.2Å; F20-N24 PolarHBondContact O-ND2 2.88Å; S21-N24 PolarHBondContact O-N 3.33Å; T22-N24 PolarHBondContact O-N 3.11Å; N24-G26 PolarHBondContact O-N 3.43Å; N24-W40 WeakPolarHBondContact ND2-CH2 3.39Å
25S94.1Very high95.4Very high0 Ų024.4 Ų24.40%013%0.134CC..SBendtrans-70.6-8-179.657.30000115.1S21 T22 Q27 F305S21-S25 VanDerWaalsContact O-CB 3.26Å; S21-S25 WeakPolarHBondContact O-CB 3.41Å; S21-S25 PolarHBondContact O-N 3.27Å; T22-S25 PolarHBondContact O-OG 3.22Å; S25-Q27 VanDerWaalsContact C-N 3.31Å; S25-Q27 VanDerWaalsContact OG-CG 3.24Å; S25-Q27 WeakPolarHBondContact OG-CG 3.2Å; S25-Q27 PolarHBondContact OG-NE2 3.1Å; S25-F305 WeakPolarHBondContact O-CE1 3.35Å
26G93.5Very high95.4Very high10 Ų1026.2 Ų26.210%0.10315%0.152CC..SBendtrans79.312.8-173.300000114N24 F29N24-G26 PolarHBondContact O-N 3.43Å; G26-F29 WeakPolarHBondContact O-CZ 3.48Å
27Q97.4Very high95.2Very high3 Ų328.8 Ų28.81%0.01417%0.165CC..SBendtrans-79.8-48.8172.1-62.917876.600112S25 R120 L122 Q124 M246 T302S25-Q27 VanDerWaalsContact C-N 3.31Å; S25-Q27 VanDerWaalsContact OG-CG 3.24Å; S25-Q27 WeakPolarHBondContact OG-CG 3.2Å; S25-Q27 PolarHBondContact OG-NE2 3.1Å; Q27-R120 PolarHBondContact NE2-O 2.99Å; Q27-L122 HydrophobicContact CB-CD1 3.92Å; Q27-L122 HydrophobicContact CB-CG 4.36Å; Q27-Q124 PolarHBondContact O-NE2 2.85Å; Q27-M246 WeakPolarHBondContact CA-SD 3.39Å; Q27-M246 HydrophobicContact CB-CG 4.35Å; Q27-M246 HydrophobicContact CB-SD 3.57Å; Q27-M246 VanDerWaalsContact CB-SD 3.57Å; Q27-M246 HydrophobicContact CG-CG 4.26Å; Q27-M246 HydrophobicContact CG-SD 3.61Å; Q27-T302 VanDerWaalsContact CD-CG2 3.49Å; Q27-T302 HydrophobicContact CG-CG2 3.79Å
28A96.6Very high95Very high8 Ų831.7 Ų31.77%0.06618%0.181CC..  trans-113.9151.1175.800000109.4L122 Q124A28-L122 HydrophobicContact CB-CD1 3.73Å; A28-Q124 VanDerWaalsContact CB-OE1 3.27Å
29F96.5Very high95Very high10 Ų1031.4 Ų31.44%0.04418%0.179CC..SBendtrans-125.7-5.5-173.5-55.9-81.8000114G26 F133 L141 I144 T145 L148G26-F29 WeakPolarHBondContact O-CZ 3.48Å; F29-F133 HydrophobicContact CE2-CE1 4.28Å; F29-F133 HydrophobicContact CE2-CE2 4.41Å; F29-F133 HydrophobicContact CE2-CZ 4.03Å; F29-F133 HydrophobicContact CZ-CE1 4.21Å; F29-F133 HydrophobicContact CZ-CZ 4.27Å; F29-L141 HydrophobicContact CD1-CD2 4.43Å; F29-L141 HydrophobicContact CE1-CD2 3.68Å; F29-I144 HydrophobicContact CB-CG2 4.18Å; F29-I144 HydrophobicContact CD1-CB 4.03Å; F29-I144 HydrophobicContact CD1-CG2 3.48Å; F29-I144 VanDerWaalsContact CD1-CG2 3.48Å; F29-I144 HydrophobicContact CD2-CG2 4.1Å; F29-I144 HydrophobicContact CE1-CB 4.27Å; F29-I144 HydrophobicContact CE1-CD1 3.98Å; F29-I144 HydrophobicContact CE1-CG2 3.79Å; F29-I144 HydrophobicContact CE2-CG2 4.38Å; F29-I144 HydrophobicContact CG-CG2 3.64Å; F29-I144 HydrophobicContact CZ-CD1 4.47Å; F29-I144 HydrophobicContact CZ-CG2 4.24Å; F29-T145 VanDerWaalsContact O-CG2 3.31Å; F29-T145 WeakPolarHBondContact O-CG2 3.46Å; F29-T145 PolarHBondContact O-OG1 3.08Å; F29-L148 HydrophobicContact CB-CD1 3.53Å; F29-L148 HydrophobicContact CD2-CD1 4.04Å; F29-L148 HydrophobicContact CG-CD1 3.98Å
30R96.2Very high95Very high7 Ų732.3 Ų32.33%0.02618%0.182CC..  trans-111.711.4-175.7-56.2-153.4-50.3142.36114.3V32 E128 L148 C152 H168 W169R30-V32 PolarHBondContact O-N 2.89Å; R30-E128 IonicContact CZ-OE1 3.91Å; R30-E128 IonicContact CZ-OE2 2.66Å; R30-E128 VanDerWaalsContact NE-CD 3.32Å; R30-E128 IonicContact NE-OE1 2.72Å; R30-E128 PolarHBondContact NE-OE1 2.89Å; R30-E128 IonicContact NE-OE2 3.74Å; R30-E128 PolarHBondContact NE-OE2 3.06Å; R30-E128 IonicContact NH2-OE1 2.87Å; R30-E128 IonicContact NH2-OE2 2.72Å; R30-E128 PolarHBondContact NH2-OE2 3.4Å; R30-L148 HydrophobicContact CG-CB 4.24Å; R30-C152 VanDerWaalsContact CD-SG 3.52Å; R30-C152 PolarHBondContact NH1-SG 3.19Å; R30-H168 PolarHBondContact NH1-CE1 3.28Å; R30-H168 PolarHBondContact O-NE2 2.75Å; R30-W169 PolarHBondContact NH1-O 2.89Å
31W97.7Very high95.1Very high19 Ų1931.4 Ų31.47%0.07218%0.178CC..  trans-76122.7165.4-75.394.4000109.3L23 W40 H41 G42 I44 W49 L51 Y82 F83L23-W31 HydrophobicContact CB-CB 4.22Å; L23-W31 HydrophobicContact CB-CG 4.34Å; L23-W31 HydrophobicContact CD1-CB 4.06Å; L23-W31 HydrophobicContact CD1-CD2 3.74Å; L23-W31 HydrophobicContact CD1-CE3 3.79Å; L23-W31 HydrophobicContact CD1-CG 3.88Å; L23-W31 HydrophobicContact CD2-CB 4.43Å; L23-W31 HydrophobicContact CD2-CD2 3.72Å; L23-W31 HydrophobicContact CD2-CE3 4.49Å; L23-W31 HydrophobicContact CD2-CG 3.66Å; L23-W31 HydrophobicContact CD2-CZ2 4.36Å; L23-W31 HydrophobicContact CG-CB 4.46Å; L23-W31 HydrophobicContact CG-CD2 4.3Å; L23-W31 HydrophobicContact CG-CG 4.15Å; W31-W40 HydrophobicContact CB-CE3 4Å; W31-W40 HydrophobicContact CB-CZ3 4.37Å; W31-W40 HydrophobicContact CE3-CB 3.96Å; W31-W40 HydrophobicContact CZ3-CB 4.35Å; W31-H41 WeakPolarHBondContact CA-O 3.19Å; W31-H41 VanDerWaalsContact CE3-C 3.47Å; W31-G42 VanDerWaalsContact CE3-CA 3.47Å; W31-G42 VanDerWaalsContact CZ3-N 3.33Å; W31-I44 HydrophobicContact CH2-CD1 4.32Å; W31-I44 HydrophobicContact CZ2-CD1 3.98Å; W31-I44 HydrophobicContact CZ2-CG1 4.23Å; W31-W49 HydrophobicContact CH2-CB 4.13Å; W31-L51 HydrophobicContact CH2-CD1 3.29Å; W31-L51 HydrophobicContact CH2-CG 3.87Å; W31-L51 HydrophobicContact CZ2-CD1 4.05Å; W31-L51 HydrophobicContact CZ3-CB 4.42Å; W31-L51 HydrophobicContact CZ3-CD1 3.64Å; W31-L51 HydrophobicContact CZ3-CG 3.91Å; W31-Y82 AromaticContact CZ2-CE1 3.99Å; W31-Y82 HydrophobicContact CZ2-CE1 3.99Å; W31-Y82 AromaticContact NE1-CE1 3.76Å; W31-Y82 AromaticContact NE1-CZ 3.68Å; W31-Y82 PolarHBondContact NE1-OH 3.28Å; W31-F83 HydrophobicContact CZ2-CZ 4.13Å
32V95.1Very high95.3Very high61 Ų6131.4 Ų31.437%0.3718%0.178SC..EExtended strand (participates in β ladder)trans-112.8126.5-178.5-178.80000109R30 W40 H41R30-V32 PolarHBondContact O-N 2.89Å; V32-W40 CarbonylContact O-C 3.52Å; V32-W40 WeakPolarHBondContact O-CA 3.39Å; V32-H41 PolarHBondContact N-O 3.15Å; V32-H41 PolarHBondContact O-N 2.87Å
33F95.4Very high95.3Very high57 Ų5732.3 Ų32.325%0.2518%0.184CC..EExtended strand (participates in β ladder)trans-85.3120.9174.4-174.7-114.1000110.6N38 E39 W40 F325F33-N38 WeakPolarHBondContact CZ-OD1 3.34Å; F33-E39 WeakPolarHBondContact CD2-O 3.37Å; F33-W40 HydrophobicContact CB-CD2 4.03Å; F33-W40 HydrophobicContact CB-CE3 3.84Å; F33-W40 HydrophobicContact CB-CH2 3.77Å; F33-W40 HydrophobicContact CB-CZ2 3.96Å; F33-W40 HydrophobicContact CB-CZ3 3.73Å; F33-W40 AromaticContact CD2-CD1 3.88Å; F33-W40 AromaticContact CD2-CD2 3.86Å; F33-W40 HydrophobicContact CD2-CD2 3.86Å; F33-W40 AromaticContact CD2-CE2 3.55Å; F33-W40 HydrophobicContact CD2-CG 4.07Å; F33-W40 AromaticContact CD2-CZ2 3.97Å; F33-W40 HydrophobicContact CD2-CZ2 3.97Å; F33-W40 AromaticContact CD2-NE1 3.57Å; F33-W40 AromaticContact CE2-NE1 3.99Å; F33-W40 HydrophobicContact CG-CD2 4.42Å; F33-W40 HydrophobicContact CG-CH2 4.45Å; F33-W40 HydrophobicContact CG-CZ2 4.16Å; F33-F325 HydrophobicContact CD2-CE1 4.44Å; F33-F325 HydrophobicContact CE1-CE1 4.35Å; F33-F325 AromaticContact CE2-CE1 3.97Å; F33-F325 HydrophobicContact CE2-CE1 3.97Å; F33-F325 AromaticContact CZ-CE1 3.91Å; F33-F325 HydrophobicContact CZ-CE1 3.91Å
34N93.6Very high95.3Very high46 Ų4632.3 Ų32.325%0.24618%0.184CC..EExtended strand (participates in β ladder)trans-91.7102.3170.6-173.8-38.9000109T36 L37 N38 E39N34-T36 VanDerWaalsContact C-N 3.29Å; N34-T36 PolarHBondContact O-N 3.1Å; N34-T36 WeakPolarHBondContact OD1-CB 3.49Å; N34-T36 PolarHBondContact OD1-N 3.49Å; N34-L37 HydrophobicContact CB-CB 4.39Å; N34-L37 PolarHBondContact O-N 2.99Å; N34-L37 PolarHBondContact OD1-N 3.43Å; N34-N38 WeakPolarHBondContact O-CA 3.41Å; N34-N38 PolarHBondContact O-N 2.88Å; N34-E39 HydrophobicContact CB-CG 4.44Å; N34-E39 PolarHBondContact N-O 3.01Å; N34-E39 PolarHBondContact O-N 3.5Å
35S91.7Very high95.2Very high94 Ų9433.5 Ų33.566%0.65719%0.19SC*.THydrogen-bonded Turntrans-67.9-26.2-178.755.10000114
36T90.6Very high95.1Very high128 Ų12835.5 Ų35.579%0.78521%0.211SC*.THydrogen-bonded Turntrans-71.5-38179-56.60000111N34N34-T36 VanDerWaalsContact C-N 3.29Å; N34-T36 PolarHBondContact O-N 3.1Å; N34-T36 WeakPolarHBondContact OD1-CB 3.49Å; N34-T36 PolarHBondContact OD1-N 3.49Å
37L90.9Very high95.1Very high72 Ų7240.3 Ų40.338%0.37723%0.23SC..THydrogen-bonded Turntrans-94.2-7.9179.1-62-179.7000113.3N34 E39 L161N34-L37 HydrophobicContact CB-CB 4.39Å; N34-L37 PolarHBondContact O-N 2.99Å; N34-L37 PolarHBondContact OD1-N 3.43Å; L37-E39 VanDerWaalsContact C-N 3.35Å; L37-E39 HydrophobicContact CB-CG 3.66Å; L37-E39 PolarHBondContact O-N 2.83Å; L37-L161 HydrophobicContact CD1-CD1 4.47Å
38N93.8Very high95Very high63 Ų6341.8 Ų41.834%0.33724%0.238SC..THydrogen-bonded Turntrans52.947.5-174.3-165.639.7000113.2F33 N34F33-N38 WeakPolarHBondContact CZ-OD1 3.34Å; N34-N38 WeakPolarHBondContact O-CA 3.41Å; N34-N38 PolarHBondContact O-N 2.88Å
39E96.4Very high95.1Very high5 Ų542.3 Ų42.32%0.02324%0.239CC..EExtended strand (participates in β ladder)trans-147.2163.4-17668.2-171.2-139.600111.6W7 F33 N34 L37 H41 R50 L51 R52W7-E39 HydrophobicContact CH2-CB 3.99Å; W7-E39 HydrophobicContact CZ2-CB 4.44Å; W7-E39 WeakPolarHBondContact CZ2-OE2 3.41Å; F33-E39 WeakPolarHBondContact CD2-O 3.37Å; N34-E39 HydrophobicContact CB-CG 4.44Å; N34-E39 PolarHBondContact N-O 3.01Å; N34-E39 PolarHBondContact O-N 3.5Å; L37-E39 VanDerWaalsContact C-N 3.35Å; L37-E39 HydrophobicContact CB-CG 3.66Å; L37-E39 PolarHBondContact O-N 2.83Å; E39-H41 IonicContact OE1-CD2 3.85Å; E39-H41 PolarHBondContact OE1-CD2 3Å; E39-H41 IonicContact OE1-CE1 2.9Å; E39-H41 IonicContact OE1-NE2 2.89Å; E39-H41 PolarHBondContact OE1-NE2 2.72Å; E39-R50 VanDerWaalsContact CD-NH2 3.31Å; E39-R50 IonicContact OE1-CZ 3.83Å; E39-R50 VanDerWaalsContact OE1-CZ 3.23Å; E39-R50 IonicContact OE1-NE 3.46Å; E39-R50 PolarHBondContact OE1-NE 3.22Å; E39-R50 IonicContact OE1-NH2 2.65Å; E39-R50 PolarHBondContact OE1-NH2 3.24Å; E39-R50 IonicContact OE2-CZ 3.92Å; E39-R50 IonicContact OE2-NE 3.53Å; E39-R50 IonicContact OE2-NH2 3.57Å; E39-R50 PolarHBondContact OE2-NH2 3.33Å; E39-L51 CarbonylContact C-O 3.58Å; E39-L51 WeakPolarHBondContact CA-O 3.45Å; E39-L51 WeakPolarHBondContact CB-O 3.43Å; E39-R52 HydrophobicContact CB-CB 4.16Å
40W98Very high95.1Very high19 Ų1943.6 Ų43.67%0.07224%0.243CC..EExtended strand (participates in β ladder)trans-102.6135.6176-67.988.4000110.5L19 F20 L23 N24 W31 V32 F33 R50 L51 F325L19-W40 HydrophobicContact CD2-CG 4.3Å; F20-W40 AromaticContact CD2-CZ2 3.92Å; F20-W40 HydrophobicContact CD2-CZ2 3.92Å; F20-W40 HydrophobicContact CE2-CZ2 4.31Å; L23-W40 HydrophobicContact CD1-CB 3.87Å; L23-W40 HydrophobicContact CD1-CD2 3.62Å; L23-W40 HydrophobicContact CD1-CE3 3.87Å; L23-W40 HydrophobicContact CD1-CG 3.63Å; N24-W40 WeakPolarHBondContact ND2-CH2 3.39Å; W31-W40 HydrophobicContact CB-CE3 4Å; W31-W40 HydrophobicContact CB-CZ3 4.37Å; W31-W40 HydrophobicContact CE3-CB 3.96Å; W31-W40 HydrophobicContact CZ3-CB 4.35Å; V32-W40 CarbonylContact O-C 3.52Å; V32-W40 WeakPolarHBondContact O-CA 3.39Å; F33-W40 HydrophobicContact CB-CD2 4.03Å; F33-W40 HydrophobicContact CB-CE3 3.84Å; F33-W40 HydrophobicContact CB-CH2 3.77Å; F33-W40 HydrophobicContact CB-CZ2 3.96Å; F33-W40 HydrophobicContact CB-CZ3 3.73Å; F33-W40 AromaticContact CD2-CD1 3.88Å; F33-W40 AromaticContact CD2-CD2 3.86Å; F33-W40 HydrophobicContact CD2-CD2 3.86Å; F33-W40 AromaticContact CD2-CE2 3.55Å; F33-W40 HydrophobicContact CD2-CG 4.07Å; F33-W40 AromaticContact CD2-CZ2 3.97Å; F33-W40 HydrophobicContact CD2-CZ2 3.97Å; F33-W40 AromaticContact CD2-NE1 3.57Å; F33-W40 AromaticContact CE2-NE1 3.99Å; F33-W40 HydrophobicContact CG-CD2 4.42Å; F33-W40 HydrophobicContact CG-CH2 4.45Å; F33-W40 HydrophobicContact CG-CZ2 4.16Å; W40-R50 CarbonylContact O-C 3.3Å; W40-R50 VanDerWaalsContact O-CA 3.28Å; W40-R50 WeakPolarHBondContact O-CA 3.37Å; W40-L51 HydrophobicContact CB-CB 4.47Å; W40-L51 PolarHBondContact N-O 2.86Å; W40-L51 PolarHBondContact O-N 3.08Å; W40-F325 HydrophobicContact CZ2-CE1 4.4Å; W40-F325 HydrophobicContact CZ2-CZ 4.04Å
41H97.5Very high95.2Very high7 Ų743.2 Ų43.23%0.03224%0.242CC..EExtended strand (participates in β ladder)trans-110133.9171.6-62.6171.2000109.4W31 V32 E39 L48 W49W31-H41 WeakPolarHBondContact CA-O 3.19Å; W31-H41 VanDerWaalsContact CE3-C 3.47Å; V32-H41 PolarHBondContact N-O 3.15Å; V32-H41 PolarHBondContact O-N 2.87Å; E39-H41 IonicContact OE1-CD2 3.85Å; E39-H41 PolarHBondContact OE1-CD2 3Å; E39-H41 IonicContact OE1-CE1 2.9Å; E39-H41 IonicContact OE1-NE2 2.89Å; E39-H41 PolarHBondContact OE1-NE2 2.72Å; H41-L48 HydrophobicContact CB-CD1 4.18Å; H41-W49 WeakPolarHBondContact CA-O 3.43Å
42G97.8Very high95.2Very high0 Ų044.8 Ų44.80%025%0.248CC..EExtended strand (participates in β ladder)trans-154.2167.8176.800000111W31 W49W31-G42 VanDerWaalsContact CE3-CA 3.47Å; W31-G42 VanDerWaalsContact CZ3-N 3.33Å; G42-W49 PolarHBondContact N-O 3.13Å; G42-W49 PolarHBondContact O-N 3.36Å
43V97.7Very high95.3Very high18 Ų1843 Ų4311%0.10924%0.235CC..EExtended strand (participates in β ladder)trans-118.8125-179.2-177.90000109.2H47 L159 H168V43-H47 VanDerWaalsContact CA-O 3.27Å; V43-H47 WeakPolarHBondContact CA-O 3.49Å; V43-L159 HydrophobicContact CG1-CD1 4.1Å; V43-L159 HydrophobicContact CG2-CD1 3.55Å; V43-H168 HydrophobicContact CG2-CB 3.95Å; V43-H168 VanDerWaalsContact CG2-ND1 3.32Å; V43-H168 WeakPolarHBondContact CG2-ND1 3.28Å
44I97.4Very high95.2Very high7 Ų744.8 Ų44.84%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-126.1126.3175.1-55.4166.7000106.7W31 G46 H47 W49 D78 L79 Y82W31-I44 HydrophobicContact CH2-CD1 4.32Å; W31-I44 HydrophobicContact CZ2-CD1 3.98Å; W31-I44 HydrophobicContact CZ2-CG1 4.23Å; I44-G46 PolarHBondContact O-N 2.91Å; I44-G46 VanDerWaalsContact O-N 3.07Å; I44-H47 PolarHBondContact N-O 2.98Å; I44-H47 PolarHBondContact O-N 2.85Å; I44-W49 HydrophobicContact CD1-CG 4.19Å; I44-D78 HydrophobicContact CG2-CB 4.04Å; I44-L79 HydrophobicContact CD1-CD2 3.75Å; I44-Y82 HydrophobicContact CB-CD2 4.46Å; I44-Y82 HydrophobicContact CD1-CD1 3.74Å; I44-Y82 HydrophobicContact CD1-CD2 4.07Å; I44-Y82 HydrophobicContact CD1-CE1 4.24Å; I44-Y82 HydrophobicContact CD1-CG 3.65Å; I44-Y82 HydrophobicContact CG1-CD1 4.3Å; I44-Y82 HydrophobicContact CG1-CD2 3.85Å; I44-Y82 HydrophobicContact CG1-CE1 4.48Å; I44-Y82 HydrophobicContact CG1-CE2 4.02Å; I44-Y82 HydrophobicContact CG1-CG 3.98Å; I44-Y82 HydrophobicContact CG2-CD2 3.87Å; I44-Y82 HydrophobicContact CG2-CG 4.2Å
45N92.2Very high95.1Very high69 Ų6948.6 Ų48.637%0.36926%0.262SS..THydrogen-bonded Turntrans51.333.2-179.7-63.5-27.1000114.2H47 D78N45-H47 VanDerWaalsContact C-N 3.3Å; N45-H47 PolarHBondContact O-N 3.38Å; N45-H47 PolarHBondContact O-ND1 2.93Å; N45-D78 PolarHBondContact ND2-OD1 3.23Å
46G91.4Very high95Very high43 Ų4348.9 Ų48.944%0.44326%0.256SS..THydrogen-bonded Turntrans84.7-6.2-179.100000115.1I44I44-G46 PolarHBondContact O-N 2.91Å; I44-G46 VanDerWaalsContact O-N 3.07Å
47H93.6Very high95Very high110 Ų11046.2 Ų46.251%0.50924%0.243SC..EExtended strand (participates in β ladder)trans-95.1136177.9-57.7104.9000111.4V43 I44 N45 W49 D78V43-H47 VanDerWaalsContact CA-O 3.27Å; V43-H47 WeakPolarHBondContact CA-O 3.49Å; I44-H47 PolarHBondContact N-O 2.98Å; I44-H47 PolarHBondContact O-N 2.85Å; N45-H47 VanDerWaalsContact C-N 3.3Å; N45-H47 PolarHBondContact O-N 3.38Å; N45-H47 PolarHBondContact O-ND1 2.93Å; H47-W49 VanDerWaalsContact O-CD1 3.25Å; H47-W49 PolarHBondContact O-N 3.09Å; H47-D78 IonicContact ND1-OD2 2.67Å; H47-D78 PolarHBondContact ND1-OD2 3.38Å
48L96.2Very high95.2Very high34 Ų3445.6 Ų45.618%0.17824%0.24CC..EExtended strand (participates in β ladder)trans-75120.7171.5175.556.2000109.7H41 L159 L161 H168H41-L48 HydrophobicContact CB-CD1 4.18Å; L48-L159 HydrophobicContact CB-CB 4.23Å; L48-L159 HydrophobicContact CB-CD1 4.32Å; L48-L159 HydrophobicContact CD2-CB 4.25Å; L48-L161 HydrophobicContact CD2-CD2 3.75Å; L48-L161 HydrophobicContact CD2-CG 4.48Å; L48-H168 HydrophobicContact CD1-CB 3.77Å
49W97Very high95.3Very high20 Ų2044.8 Ų44.88%0.07624%0.238CC..EExtended strand (participates in β ladder)trans-110.7137.7176.3-71.195.6000110.8W31 H41 G42 I44 H47 Y62 L64 I70 P76 D78 L79W31-W49 HydrophobicContact CH2-CB 4.13Å; H41-W49 WeakPolarHBondContact CA-O 3.43Å; G42-W49 PolarHBondContact N-O 3.13Å; G42-W49 PolarHBondContact O-N 3.36Å; I44-W49 HydrophobicContact CD1-CG 4.19Å; H47-W49 VanDerWaalsContact O-CD1 3.25Å; H47-W49 PolarHBondContact O-N 3.09Å; W49-Y62 HydrophobicContact CZ3-CD2 4.32Å; W49-L64 HydrophobicContact CZ3-CD2 4.5Å; W49-I70 HydrophobicContact CH2-CD1 4.21Å; W49-P76 HydrophobicContact CH2-CB 3.4Å; W49-P76 HydrophobicContact CH2-CG 3.61Å; W49-P76 HydrophobicContact CZ2-CB 4.13Å; W49-P76 HydrophobicContact CZ3-CB 4.1Å; W49-P76 HydrophobicContact CZ3-CG 3.85Å; W49-D78 HydrophobicContact CZ2-CB 3.89Å; W49-L79 HydrophobicContact CB-CD2 4.46Å; W49-L79 HydrophobicContact CD2-CD1 4.4Å; W49-L79 HydrophobicContact CD2-CD2 3.69Å; W49-L79 HydrophobicContact CD2-CG 4.04Å; W49-L79 HydrophobicContact CE3-CD1 3.68Å; W49-L79 HydrophobicContact CE3-CD2 3.79Å; W49-L79 HydrophobicContact CE3-CG 3.81Å; W49-L79 HydrophobicContact CG-CD2 4Å; W49-L79 HydrophobicContact CH2-CD1 4.26Å; W49-L79 HydrophobicContact CH2-CG 4.14Å; W49-L79 HydrophobicContact CZ2-CG 4.32Å; W49-L79 HydrophobicContact CZ3-CD1 3.6Å; W49-L79 HydrophobicContact CZ3-CD2 4.36Å; W49-L79 HydrophobicContact CZ3-CG 3.87Å
50R97.4Very high95.4Very high36 Ų3644.6 Ų44.614%0.13624%0.237CC..EExtended strand (participates in β ladder)trans-113.6122.8173.5-51.8162.763.1-168-4.8108.4W7 E39 W40 Y62 Y63 L161W7-R50 HydrophobicContact CH2-CB 4.09Å; E39-R50 VanDerWaalsContact CD-NH2 3.31Å; E39-R50 IonicContact OE1-CZ 3.83Å; E39-R50 VanDerWaalsContact OE1-CZ 3.23Å; E39-R50 IonicContact OE1-NE 3.46Å; E39-R50 PolarHBondContact OE1-NE 3.22Å; E39-R50 IonicContact OE1-NH2 2.65Å; E39-R50 PolarHBondContact OE1-NH2 3.24Å; E39-R50 IonicContact OE2-CZ 3.92Å; E39-R50 IonicContact OE2-NE 3.53Å; E39-R50 IonicContact OE2-NH2 3.57Å; E39-R50 PolarHBondContact OE2-NH2 3.33Å; W40-R50 CarbonylContact O-C 3.3Å; W40-R50 VanDerWaalsContact O-CA 3.28Å; W40-R50 WeakPolarHBondContact O-CA 3.37Å; R50-Y62 WeakPolarHBondContact O-CA 3.12Å; R50-Y63 VanDerWaalsContact NH1-CD1 3.31Å; R50-Y63 VanDerWaalsContact NH1-CZ 3.29Å; R50-Y63 PolarHBondContact O-N 3.01Å; R50-L161 HydrophobicContact CG-CD2 4.08Å
51L98.3Very high95.4Very high0 Ų045.1 Ų45.10%024%0.24CC..EExtended strand (participates in β ladder)trans-127.3149.4-177.2-58.1-179.6000110.4L19 W31 E39 W40 E61 Y62 L79 F83L19-L51 HydrophobicContact CD1-CB 4.26Å; L19-L51 HydrophobicContact CD1-CD1 3.92Å; L19-L51 HydrophobicContact CD2-CB 3.93Å; W31-L51 HydrophobicContact CH2-CD1 3.29Å; W31-L51 HydrophobicContact CH2-CG 3.87Å; W31-L51 HydrophobicContact CZ2-CD1 4.05Å; W31-L51 HydrophobicContact CZ3-CB 4.42Å; W31-L51 HydrophobicContact CZ3-CD1 3.64Å; W31-L51 HydrophobicContact CZ3-CG 3.91Å; E39-L51 CarbonylContact C-O 3.58Å; E39-L51 WeakPolarHBondContact CA-O 3.45Å; E39-L51 WeakPolarHBondContact CB-O 3.43Å; W40-L51 HydrophobicContact CB-CB 4.47Å; W40-L51 PolarHBondContact N-O 2.86Å; W40-L51 PolarHBondContact O-N 3.08Å; L51-E61 CarbonylContact C-O 3.56Å; L51-E61 VanDerWaalsContact CA-O 3.27Å; L51-E61 WeakPolarHBondContact CA-O 3.47Å; L51-Y62 VanDerWaalsContact CD2-CB 3.49Å; L51-L79 HydrophobicContact CD2-CD1 4.3Å; L51-L79 HydrophobicContact CD2-CD2 4.12Å; L51-F83 HydrophobicContact CD1-CE2 3.62Å; L51-F83 HydrophobicContact CD1-CZ 3.46Å; L51-F83 VanDerWaalsContact CD1-CZ 3.46Å
52R97.7Very high95.3Very high52 Ų5245.1 Ų45.120%0.19624%0.24CC..EExtended strand (participates in β ladder)trans-147.1161.9169.769.8-175.4-172.7-178.11.9111.2W7 E39 E61W7-R52 VanDerWaalsContact CD1-CZ 3.49Å; W7-R52 HydrophobicContact CD2-CG 4.33Å; W7-R52 HydrophobicContact CE3-CG 3.82Å; W7-R52 VanDerWaalsContact CG-CZ 3.45Å; W7-R52 HydrophobicContact CH2-CB 4.25Å; W7-R52 HydrophobicContact CH2-CG 3.99Å; W7-R52 HydrophobicContact CZ2-CG 4.47Å; W7-R52 HydrophobicContact CZ3-CB 4.17Å; W7-R52 HydrophobicContact CZ3-CG 3.64Å; E39-R52 HydrophobicContact CB-CB 4.16Å; R52-E61 HydrophobicContact CG-CB 4.11Å; R52-E61 IonicContact CZ-OE2 2.71Å; R52-E61 PolarHBondContact N-O 3.02Å; R52-E61 IonicContact NE-OE2 2.98Å; R52-E61 PolarHBondContact NE-OE2 3.09Å; R52-E61 IonicContact NH2-OE2 3.4Å; R52-E61 PolarHBondContact NH2-OE2 3.26Å; R52-E61 PolarHBondContact O-N 3.31Å
53Q96.9Very high95.2Very high24 Ų2446.9 Ų46.911%0.11225%0.247CC..  trans-145.5110.1169.6-179.8170.733.300105.6F17 L19 E55 N58 V60F17-Q53 PolarHBondContact O-NE2 3.41Å; L19-Q53 HydrophobicContact CB-CB 3.96Å; L19-Q53 HydrophobicContact CD2-CB 4.21Å; Q53-E55 WeakPolarHBondContact CG-O 3.33Å; Q53-N58 PolarHBondContact NE2-O 3.27Å; Q53-V60 HydrophobicContact CB-CG2 4.38Å; Q53-V60 HydrophobicContact CG-CG2 4.5Å
54M93.1Very high94.8Very high94 Ų9446.4 Ų46.446%0.46324%0.244SC..SBendtrans-65.5-45.1-170.6-63.4-56.8-60.700111.2
55E91.6Very high94.2Very high126 Ų12650.3 Ų50.359%0.58926%0.262SS*.SBendtrans-136.9159.3169.9-57.6-179.6-175.400109.9Q53 S57 N58Q53-E55 WeakPolarHBondContact CG-O 3.33Å; E55-S57 PolarHBondContact O-N 3.13Å; E55-S57 PolarHBondContact OE2-OG 3.36Å; E55-S57 VanDerWaalsContact OE2-OG 3.13Å; E55-N58 WeakPolarHBondContact CB-OD1 3.42Å; E55-N58 PolarHBondContact N-OD1 2.94Å; E55-N58 VanDerWaalsContact N-OD1 3.13Å; E55-N58 WeakPolarHBondContact O-CB 3.29Å; E55-N58 PolarHBondContact O-N 3.31Å
56D90.3Very high93.3Very high100 Ų10054.2 Ų54.254%0.53528%0.275SS..THydrogen-bonded Turntrans-58.6-18.2174.7-64.8-27.2000113P14 N18P14-D56 VanDerWaalsContact CB-O 3.27Å; P14-D56 WeakPolarHBondContact CB-O 3.4Å; N18-D56 VanDerWaalsContact ND2-CG 3.33Å; N18-D56 PolarHBondContact ND2-OD1 3.28Å
57S90.9Very high92.2Very high72 Ų7259.5 Ų59.550%0.50329%0.294SS..THydrogen-bonded Turntrans-85.1-11.2176.568.50000113.5P14 E55P14-S57 WeakPolarHBondContact CG-O 3.26Å; E55-S57 PolarHBondContact O-N 3.13Å; E55-S57 PolarHBondContact OE2-OG 3.36Å; E55-S57 VanDerWaalsContact OE2-OG 3.13Å
58N94.9Very high91Very high59 Ų5956.4 Ų56.432%0.31628%0.284SS..SBendtrans-100.3152-178.3-60.7129.8000111.5P14 Q53 E55P14-N58 WeakPolarHBondContact CG-O 3.45Å; Q53-N58 PolarHBondContact NE2-O 3.27Å; E55-N58 WeakPolarHBondContact CB-OD1 3.42Å; E55-N58 PolarHBondContact N-OD1 2.94Å; E55-N58 VanDerWaalsContact N-OD1 3.13Å; E55-N58 WeakPolarHBondContact O-CB 3.29Å; E55-N58 PolarHBondContact O-N 3.31Å
59P96.2Very high89.7Confident45 Ų4565 Ų6529%0.29232%0.32SS..PPolyproline II helixtrans-63150.3171.727.7-34.9000110.7
60V98Very high88.3Confident2 Ų267 Ų671%0.01233%0.332CS..PPolyproline II helixtrans-65.5137.6168.8178.80000109I10 F17 L19 Q53I10-V60 WeakPolarHBondContact CB-O 3.49Å; I10-V60 HydrophobicContact CD1-CB 4.3Å; I10-V60 HydrophobicContact CD1-CG1 3.94Å; I10-V60 PolarHBondContact N-O 2.8Å; F17-V60 HydrophobicContact CB-CG2 4.43Å; F17-V60 HydrophobicContact CD1-CB 3.89Å; F17-V60 HydrophobicContact CD1-CG2 3.62Å; F17-V60 HydrophobicContact CD2-CG2 3.94Å; F17-V60 HydrophobicContact CE1-CB 3.76Å; F17-V60 HydrophobicContact CE1-CG1 3.9Å; F17-V60 HydrophobicContact CE1-CG2 3.75Å; F17-V60 HydrophobicContact CE2-CG2 4.05Å; F17-V60 HydrophobicContact CG-CB 4.48Å; F17-V60 HydrophobicContact CG-CG2 3.71Å; F17-V60 HydrophobicContact CZ-CB 4.25Å; F17-V60 HydrophobicContact CZ-CG1 4.05Å; F17-V60 HydrophobicContact CZ-CG2 3.96Å; L19-V60 HydrophobicContact CB-CG1 4.43Å; L19-V60 HydrophobicContact CB-CG2 3.87Å; L19-V60 HydrophobicContact CD1-CG1 4.01Å; L19-V60 HydrophobicContact CD2-CG1 4.22Å; L19-V60 HydrophobicContact CG-CG1 4.46Å; Q53-V60 HydrophobicContact CB-CG2 4.38Å; Q53-V60 HydrophobicContact CG-CG2 4.5Å
61E97.4Very high86.8Confident30 Ų3073.9 Ų73.914%0.1436%0.363CS..EExtended strand (participates in β ladder)trans-116.8148.5177.6-56.1-176.3121.500111.2W7 H8 L51 R52W7-E61 HydrophobicContact CE3-CB 3.92Å; H8-E61 CarbonylContact O-C 3.55Å; H8-E61 WeakPolarHBondContact O-CA 3.18Å; L51-E61 CarbonylContact C-O 3.56Å; L51-E61 VanDerWaalsContact CA-O 3.27Å; L51-E61 WeakPolarHBondContact CA-O 3.47Å; R52-E61 HydrophobicContact CG-CB 4.11Å; R52-E61 IonicContact CZ-OE2 2.71Å; R52-E61 PolarHBondContact N-O 3.02Å; R52-E61 IonicContact NE-OE2 2.98Å; R52-E61 PolarHBondContact NE-OE2 3.09Å; R52-E61 IonicContact NH2-OE2 3.4Å; R52-E61 PolarHBondContact NH2-OE2 3.26Å; R52-E61 PolarHBondContact O-N 3.31Å
62Y96.4Very high85.3Confident6 Ų679 Ų792%0.02439%0.39CS..EExtended strand (participates in β ladder)trans-121.6147172.865-80.7000111W7 H8 I10 W49 R50 L51 L64 P76 L79W7-Y62 WeakPolarHBondContact CA-O 3.4Å; W7-Y62 VanDerWaalsContact CE3-C 3.48Å; H8-Y62 HydrophobicContact CB-CD1 4.19Å; H8-Y62 HydrophobicContact CB-CE1 3.63Å; H8-Y62 HydrophobicContact CB-CE2 4Å; H8-Y62 PolarHBondContact N-O 3.36Å; H8-Y62 WeakPolarHBondContact O-CD1 3.37Å; H8-Y62 WeakPolarHBondContact O-CE1 3.28Å; H8-Y62 PolarHBondContact O-N 2.67Å; I10-Y62 HydrophobicContact CD1-CD1 4.28Å; I10-Y62 HydrophobicContact CG1-CD1 3.63Å; I10-Y62 HydrophobicContact CG1-CE1 4.07Å; W49-Y62 HydrophobicContact CZ3-CD2 4.32Å; R50-Y62 WeakPolarHBondContact O-CA 3.12Å; L51-Y62 VanDerWaalsContact CD2-CB 3.49Å; Y62-L64 HydrophobicContact CD2-CD2 3.96Å; Y62-L64 HydrophobicContact CD2-CG 3.85Å; Y62-L64 HydrophobicContact CE2-CD1 3.73Å; Y62-L64 HydrophobicContact CE2-CD2 3.7Å; Y62-L64 HydrophobicContact CE2-CG 3.46Å; Y62-L64 VanDerWaalsContact CE2-CG 3.46Å; Y62-P76 HydrophobicContact CD2-CG 4.02Å; Y62-P76 HydrophobicContact CE2-CG 3.54Å; Y62-P76 VanDerWaalsContact CZ-CD 3.42Å; Y62-P76 WeakPolarHBondContact OH-CD 3.46Å; Y62-L79 HydrophobicContact CD1-CD1 4.06Å; Y62-L79 HydrophobicContact CD2-CD1 3.84Å; Y62-L79 HydrophobicContact CG-CD1 3.55Å
63Y94.7Very high84.1Confident38 Ų3884.3 Ų84.315%0.14942%0.422CS..EExtended strand (participates in β ladder)trans-88.2129176.1-167.3-93.6000110.6N6 W7 R50 E65 E162N6-Y63 HydrophobicContact CB-CD2 3.94Å; N6-Y63 HydrophobicContact CB-CE1 4.21Å; N6-Y63 HydrophobicContact CB-CE2 3.43Å; N6-Y63 VanDerWaalsContact CB-CE2 3.43Å; N6-Y63 PolarHBondContact ND2-OH 3.15Å; N6-Y63 WeakPolarHBondContact O-CA 3.23Å; W7-Y63 AromaticContact CD2-CD2 4Å; W7-Y63 HydrophobicContact CD2-CD2 4Å; W7-Y63 AromaticContact CE2-CD2 3.61Å; W7-Y63 HydrophobicContact CG-CD2 4.3Å; W7-Y63 AromaticContact CZ2-CD2 3.91Å; W7-Y63 HydrophobicContact CZ2-CD2 3.91Å; W7-Y63 HydrophobicContact CZ2-CG 4.48Å; W7-Y63 AromaticContact NE1-CD2 3.68Å; R50-Y63 VanDerWaalsContact NH1-CD1 3.31Å; R50-Y63 VanDerWaalsContact NH1-CZ 3.29Å; R50-Y63 PolarHBondContact O-N 3.01Å; Y63-E65 HydrophobicContact CE1-CG 4.4Å; Y63-E162 PolarHBondContact OH-OE2 2.73Å
64L90Very high83.5Confident7 Ų787.3 Ų87.34%0.03744%0.439CS..  trans-105.9126.5167.9-74.1-179000111.2N6 W49 Y62 I70 L72 P76N6-L64 VanDerWaalsContact CB-O 3.31Å; N6-L64 WeakPolarHBondContact CB-O 3.37Å; N6-L64 PolarHBondContact O-N 3.24Å; W49-L64 HydrophobicContact CZ3-CD2 4.5Å; Y62-L64 HydrophobicContact CD2-CD2 3.96Å; Y62-L64 HydrophobicContact CD2-CG 3.85Å; Y62-L64 HydrophobicContact CE2-CD1 3.73Å; Y62-L64 HydrophobicContact CE2-CD2 3.7Å; Y62-L64 HydrophobicContact CE2-CG 3.46Å; Y62-L64 VanDerWaalsContact CE2-CG 3.46Å; L64-I70 HydrophobicContact CD2-CD1 3.84Å; L64-L72 HydrophobicContact CD1-CD2 3.62Å; L64-P76 HydrophobicContact CD2-CG 4.21Å
65E84.5Confident83.4Confident90 Ų9083.4 Ų83.442%0.42142%0.42SS..  trans-64.5146.7173-66.2-167.8167.700111.4Y63 N67 S68 E162Y63-E65 HydrophobicContact CE1-CG 4.4Å; E65-N67 PolarHBondContact O-N 3.37Å; E65-N67 VanDerWaalsContact O-N 3.1Å; E65-S68 VanDerWaalsContact O-CB 3.25Å; E65-S68 WeakPolarHBondContact O-CB 3.26Å; E65-S68 PolarHBondContact O-N 3.33Å; E65-S68 PolarHBondContact O-OG 3.4Å; E65-E162 WeakPolarHBondContact CA-OE1 3.47Å; E65-E162 HydrophobicContact CB-CG 4.23Å; E65-E162 WeakPolarHBondContact CB-OE1 3.35Å; E65-E162 HydrophobicContact CG-CG 3.7Å; E65-E162 WeakPolarHBondContact CG-OE1 3.42Å
66K72.8Confident83.5Confident150 Ų15077.8 Ų77.865%0.65240%0.395SS*.THydrogen-bonded Turntrans-58.7-29-173.8-68.1-179.7-177.3168.90113.4N6 E162N6-K66 WeakPolarHBondContact ND2-CG 3.38Å; K66-E162 PolarHBondContact N-OE1 2.99Å
67N68.9Low83.7Confident155 Ų15579 Ų7983%0.82940%0.395SS*.THydrogen-bonded Turntrans-100.213.4-179.6-65.8-30000113E65 K69E65-N67 PolarHBondContact O-N 3.37Å; E65-N67 VanDerWaalsContact O-N 3.1Å; N67-K69 PolarHBondContact O-N 3.45Å
68S68.7Low83.9Confident45 Ų4576.8 Ų76.832%0.31538%0.378SS..  trans-65.2132.3177.866.20000110.5E65 I70E65-S68 VanDerWaalsContact O-CB 3.25Å; E65-S68 WeakPolarHBondContact O-CB 3.26Å; E65-S68 PolarHBondContact O-N 3.33Å; E65-S68 PolarHBondContact O-OG 3.4Å; S68-I70 PolarHBondContact O-N 2.98Å
69K68.5Low84Confident213 Ų21374 Ų7493%0.92636%0.363SS*.  trans-76.38.4175.1-65.8-178.4178.81770112.8N67N67-K69 PolarHBondContact O-N 3.45Å
70I67Low84.1Confident63 Ų6376.1 Ų76.132%0.32337%0.365SS..  trans-80.7129.4-171.2-60175.2000108.8W49 L64 S68 L72 P76W49-I70 HydrophobicContact CH2-CD1 4.21Å; L64-I70 HydrophobicContact CD2-CD1 3.84Å; S68-I70 PolarHBondContact O-N 2.98Å; I70-L72 PolarHBondContact O-N 2.88Å; I70-P76 HydrophobicContact CD1-CB 4.14Å; I70-P76 HydrophobicContact CD1-CG 4.04Å; I70-P76 HydrophobicContact CG2-CG 4.22Å
71K66Low84.1Confident180 Ų18077.3 Ų77.378%0.78337%0.371SS*.  trans-68.2121.1173.1-67-177179.5-179.80108.8N73 D74K71-N73 PolarHBondContact O-N 2.97Å; K71-D74 PolarHBondContact O-N 3.29Å
72L67.4Low84.1Confident108 Ų10876.5 Ų76.557%0.56537%0.367SS*.THydrogen-bonded Turntrans-60.6-9.2-177.9-71.8170.3000115.7H8 L64 I70 D74H8-L72 WeakPolarHBondContact CE1-CD2 3.48Å; L64-L72 HydrophobicContact CD1-CD2 3.62Å; I70-L72 PolarHBondContact O-N 2.88Å; L72-D74 VanDerWaalsContact C-N 3.35Å
73N72.1Confident84.2Confident163 Ų16376.2 Ų76.287%0.87237%0.366SS*.THydrogen-bonded Turntrans-85.4-5.4-174.6-65.7-2.7000113.8K71K71-N73 PolarHBondContact O-N 2.97Å
74D83.4Confident84.4Confident88 Ų8875 Ų7547%0.47136%0.361SS..SBendtrans-141.1153.7178.8-164.47.7000110.6K71 L72 R80K71-D74 PolarHBondContact O-N 3.29Å; L72-D74 VanDerWaalsContact C-N 3.35Å; D74-R80 IonicContact OD1-NH1 2.62Å; D74-R80 IonicContact OD2-NH1 2.8Å; D74-R80 PolarHBondContact OD2-NH1 2.97Å
75V92.3Very high84.8Confident12 Ų1276 Ų767%0.07337%0.366CS..  trans-64.8134.5172.1-178.40000108.3I10 P11 F77 L79 L85I10-V75 HydrophobicContact CG2-CG2 4.33Å; P11-V75 VanDerWaalsContact CD-CG2 3.41Å; P11-V75 HydrophobicContact CG-CG2 4.17Å; V75-F77 PolarHBondContact O-N 3.2Å; V75-L79 HydrophobicContact CG1-CB 3.89Å; V75-L85 HydrophobicContact CB-CD1 4.41Å; V75-L85 HydrophobicContact CG1-CD1 3.8Å; V75-L85 HydrophobicContact CG2-CD1 4.43Å
76P94Very high85.3Confident8 Ų878 Ų785%0.05238%0.38CS..  trans-48.2135.8175.3-27.530.5000112.4W49 Y62 L64 I70 D78 L79 R80W49-P76 HydrophobicContact CH2-CB 3.4Å; W49-P76 HydrophobicContact CH2-CG 3.61Å; W49-P76 HydrophobicContact CZ2-CB 4.13Å; W49-P76 HydrophobicContact CZ3-CB 4.1Å; W49-P76 HydrophobicContact CZ3-CG 3.85Å; Y62-P76 HydrophobicContact CD2-CG 4.02Å; Y62-P76 HydrophobicContact CE2-CG 3.54Å; Y62-P76 VanDerWaalsContact CZ-CD 3.42Å; Y62-P76 WeakPolarHBondContact OH-CD 3.46Å; L64-P76 HydrophobicContact CD2-CG 4.21Å; I70-P76 HydrophobicContact CD1-CB 4.14Å; I70-P76 HydrophobicContact CD1-CG 4.04Å; I70-P76 HydrophobicContact CG2-CG 4.22Å; P76-D78 VanDerWaalsContact C-N 3.25Å; P76-D78 PolarHBondContact O-N 3.06Å; P76-L79 HydrophobicContact CB-CD1 4.38Å; P76-L79 HydrophobicContact CB-CG 4.33Å; P76-L79 HydrophobicContact CG-CD1 4.08Å; P76-L79 PolarHBondContact O-N 3.07Å; P76-R80 PolarHBondContact O-N 3.39Å
77F93.9Very high86.4Confident124 Ų12472 Ų7254%0.54436%0.355SS..Hα-helixtrans-51.7-44.5-177.4175.8-95.4000112.5V75 L79 R80 D81V75-F77 PolarHBondContact O-N 3.2Å; F77-L79 VanDerWaalsContact C-N 3.32Å; F77-L79 PolarHBondContact O-N 3.38Å; F77-R80 PolarHBondContact O-N 3.13Å; F77-D81 HydrophobicContact CE1-CB 4.24Å; F77-D81 HydrophobicContact CZ-CB 4.25Å; F77-D81 WeakPolarHBondContact O-CB 3.35Å; F77-D81 PolarHBondContact O-N 3.22Å
78D95.4Very high87.7Confident26 Ų2668.3 Ų68.314%0.13934%0.335CS..Hα-helixtrans-56.6-44.1178.6-77.8-7.3000112.2I44 N45 H47 W49 P76 Y82I44-D78 HydrophobicContact CG2-CB 4.04Å; N45-D78 PolarHBondContact ND2-OD1 3.23Å; H47-D78 IonicContact ND1-OD2 2.67Å; H47-D78 PolarHBondContact ND1-OD2 3.38Å; W49-D78 HydrophobicContact CZ2-CB 3.89Å; P76-D78 VanDerWaalsContact C-N 3.25Å; P76-D78 PolarHBondContact O-N 3.06Å; D78-Y82 WeakPolarHBondContact O-CB 3.32Å; D78-Y82 PolarHBondContact O-N 3.34Å
79L97.3Very high89Confident0 Ų066.3 Ų66.30%032%0.321CS..Hα-helixtrans-71.1-41.8177.9-64-179.2000111.5I44 W49 L51 Y62 V75 P76 F77 D81 F83I44-L79 HydrophobicContact CD1-CD2 3.75Å; W49-L79 HydrophobicContact CB-CD2 4.46Å; W49-L79 HydrophobicContact CD2-CD1 4.4Å; W49-L79 HydrophobicContact CD2-CD2 3.69Å; W49-L79 HydrophobicContact CD2-CG 4.04Å; W49-L79 HydrophobicContact CE3-CD1 3.68Å; W49-L79 HydrophobicContact CE3-CD2 3.79Å; W49-L79 HydrophobicContact CE3-CG 3.81Å; W49-L79 HydrophobicContact CG-CD2 4Å; W49-L79 HydrophobicContact CH2-CD1 4.26Å; W49-L79 HydrophobicContact CH2-CG 4.14Å; W49-L79 HydrophobicContact CZ2-CG 4.32Å; W49-L79 HydrophobicContact CZ3-CD1 3.6Å; W49-L79 HydrophobicContact CZ3-CD2 4.36Å; W49-L79 HydrophobicContact CZ3-CG 3.87Å; L51-L79 HydrophobicContact CD2-CD1 4.3Å; L51-L79 HydrophobicContact CD2-CD2 4.12Å; Y62-L79 HydrophobicContact CD1-CD1 4.06Å; Y62-L79 HydrophobicContact CD2-CD1 3.84Å; Y62-L79 HydrophobicContact CG-CD1 3.55Å; V75-L79 HydrophobicContact CG1-CB 3.89Å; P76-L79 HydrophobicContact CB-CD1 4.38Å; P76-L79 HydrophobicContact CB-CG 4.33Å; P76-L79 HydrophobicContact CG-CD1 4.08Å; P76-L79 PolarHBondContact O-N 3.07Å; F77-L79 VanDerWaalsContact C-N 3.32Å; F77-L79 PolarHBondContact O-N 3.38Å; L79-D81 PolarHBondContact O-N 2.6Å; L79-F83 HydrophobicContact CD2-CE2 4.02Å; L79-F83 WeakPolarHBondContact O-CD2 3.49Å; L79-F83 PolarHBondContact O-N 2.84Å; L79-F83 VanDerWaalsContact O-N 3.11Å
80R97.1Very high90.3Very high91 Ų9158.1 Ų58.134%0.34329%0.29SS..Hα-helixtrans-59.2-47177.7-17317668.5-156.84.2111.7D74 P76 F77 R84 L85D74-R80 IonicContact OD1-NH1 2.62Å; D74-R80 IonicContact OD2-NH1 2.8Å; D74-R80 PolarHBondContact OD2-NH1 2.97Å; P76-R80 PolarHBondContact O-N 3.39Å; F77-R80 PolarHBondContact O-N 3.13Å; R80-R84 PolarHBondContact O-N 3.49Å; R80-L85 HydrophobicContact CB-CD1 4.37Å; R80-L85 HydrophobicContact CG-CB 4.15Å; R80-L85 PolarHBondContact O-N 2.87Å
81D97.7Very high91.7Very high27 Ų2759 Ų5914%0.14430%0.296CS..Hα-helixtrans-68.3-50.8179-168.956.5000111.3F77 L79 F83 R84 R123F77-D81 HydrophobicContact CE1-CB 4.24Å; F77-D81 HydrophobicContact CZ-CB 4.25Å; F77-D81 WeakPolarHBondContact O-CB 3.35Å; F77-D81 PolarHBondContact O-N 3.22Å; L79-D81 PolarHBondContact O-N 2.6Å; D81-F83 PolarHBondContact O-N 2.94Å; D81-R84 PolarHBondContact O-N 3.18Å; D81-R84 VanDerWaalsContact O-N 3.08Å; D81-R123 WeakPolarHBondContact O-CB 3.4Å; D81-R123 WeakPolarHBondContact OD1-CD 3.22Å; D81-R123 IonicContact OD1-CZ 3.2Å; D81-R123 IonicContact OD1-NE 3.66Å; D81-R123 IonicContact OD1-NH1 2.82Å; D81-R123 PolarHBondContact OD1-NH1 3.42Å; D81-R123 IonicContact OD2-NH1 3.49Å
82Y98.6Very high93.2Very high13 Ų1351.1 Ų51.15%0.05126%0.262CS..Hα-helixtrans-60.3-41.3-174.8-175.5-95.5000113.2W31 I44 D78 L122 R123 Q124W31-Y82 AromaticContact CZ2-CE1 3.99Å; W31-Y82 HydrophobicContact CZ2-CE1 3.99Å; W31-Y82 AromaticContact NE1-CE1 3.76Å; W31-Y82 AromaticContact NE1-CZ 3.68Å; W31-Y82 PolarHBondContact NE1-OH 3.28Å; I44-Y82 HydrophobicContact CB-CD2 4.46Å; I44-Y82 HydrophobicContact CD1-CD1 3.74Å; I44-Y82 HydrophobicContact CD1-CD2 4.07Å; I44-Y82 HydrophobicContact CD1-CE1 4.24Å; I44-Y82 HydrophobicContact CD1-CG 3.65Å; I44-Y82 HydrophobicContact CG1-CD1 4.3Å; I44-Y82 HydrophobicContact CG1-CD2 3.85Å; I44-Y82 HydrophobicContact CG1-CE1 4.48Å; I44-Y82 HydrophobicContact CG1-CE2 4.02Å; I44-Y82 HydrophobicContact CG1-CG 3.98Å; I44-Y82 HydrophobicContact CG2-CD2 3.87Å; I44-Y82 HydrophobicContact CG2-CG 4.2Å; D78-Y82 WeakPolarHBondContact O-CB 3.32Å; D78-Y82 PolarHBondContact O-N 3.34Å; Y82-L122 HydrophobicContact CD1-CD2 3.97Å; Y82-L122 HydrophobicContact CE1-CD1 3.98Å; Y82-L122 HydrophobicContact CE1-CD2 3.64Å; Y82-L122 HydrophobicContact CE1-CG 4.29Å; Y82-L122 CarbonylContact O-C 3.55Å; Y82-L122 WeakPolarHBondContact O-CA 3.05Å; Y82-R123 PolarHBondContact O-N 3.35Å; Y82-Q124 HydrophobicContact CD2-CG 4.49Å; Y82-Q124 HydrophobicContact CE2-CB 4.27Å; Y82-Q124 HydrophobicContact CE2-CG 3.68Å
83F98.5Very high94.5Very high0 Ų046.6 Ų46.60%024%0.239CC..THydrogen-bonded Turntrans-92.82.6178.7-66-67.4000113.4F17 L19 T22 L23 W31 L51 L79 D81 L85 R120 L122F17-F83 HydrophobicContact CE1-CD2 4.42Å; F17-F83 HydrophobicContact CE1-CG 4.27Å; F17-F83 AromaticContact CE2-CD1 3.9Å; F17-F83 HydrophobicContact CE2-CD1 3.9Å; F17-F83 HydrophobicContact CE2-CE1 4.17Å; F17-F83 HydrophobicContact CE2-CG 4.35Å; F17-F83 HydrophobicContact CZ-CB 4.22Å; F17-F83 AromaticContact CZ-CD1 3.6Å; F17-F83 HydrophobicContact CZ-CD1 3.6Å; F17-F83 AromaticContact CZ-CD2 3.96Å; F17-F83 HydrophobicContact CZ-CD2 3.96Å; F17-F83 AromaticContact CZ-CE1 3.87Å; F17-F83 HydrophobicContact CZ-CE1 3.87Å; F17-F83 HydrophobicContact CZ-CE2 4.22Å; F17-F83 AromaticContact CZ-CG 3.65Å; F17-F83 HydrophobicContact CZ-CG 3.65Å; F17-F83 HydrophobicContact CZ-CZ 4.18Å; L19-F83 HydrophobicContact CD1-CZ 4.48Å; T22-F83 HydrophobicContact CG2-CD1 4.03Å; T22-F83 HydrophobicContact CG2-CE1 3.97Å; L23-F83 HydrophobicContact CD2-CE1 4.03Å; L23-F83 HydrophobicContact CD2-CZ 4.3Å; W31-F83 HydrophobicContact CZ2-CZ 4.13Å; L51-F83 HydrophobicContact CD1-CE2 3.62Å; L51-F83 HydrophobicContact CD1-CZ 3.46Å; L51-F83 VanDerWaalsContact CD1-CZ 3.46Å; L79-F83 HydrophobicContact CD2-CE2 4.02Å; L79-F83 WeakPolarHBondContact O-CD2 3.49Å; L79-F83 PolarHBondContact O-N 2.84Å; L79-F83 VanDerWaalsContact O-N 3.11Å; D81-F83 PolarHBondContact O-N 2.94Å; F83-L85 VanDerWaalsContact C-N 3.31Å; F83-L85 HydrophobicContact CB-CD2 3.54Å; F83-L85 HydrophobicContact CB-CG 4.02Å; F83-L85 PolarHBondContact O-N 3.37Å; F83-R120 PolarHBondContact O-NE 3.47Å; F83-L122 HydrophobicContact CD1-CD2 3.58Å; F83-L122 HydrophobicContact CE1-CD2 3.81Å
84R98.1Very high95.6Very high13 Ų1344.7 Ų44.75%0.04922%0.223CC..THydrogen-bonded Turntrans5344.6-177.2-54.9-177.2179.7-78.4-2.3112.7R80 D81 D86 M87 R120 L121 L122 R123 D249 L251 W299R80-R84 PolarHBondContact O-N 3.49Å; D81-R84 PolarHBondContact O-N 3.18Å; D81-R84 VanDerWaalsContact O-N 3.08Å; R84-D86 WeakPolarHBondContact CA-OD1 3.45Å; R84-D86 PolarHBondContact O-N 2.81Å; R84-M87 HydrophobicContact CB-CG 4.29Å; R84-M87 HydrophobicContact CB-SD 4.04Å; R84-M87 WeakPolarHBondContact O-CB 3.49Å; R84-M87 PolarHBondContact O-N 3.39Å; R84-R120 PolarHBondContact O-NH2 2.91Å; R84-L121 VanDerWaalsContact CD-O 3.27Å; R84-L121 WeakPolarHBondContact CD-O 3.43Å; R84-L121 WeakPolarHBondContact CG-O 3.43Å; R84-L122 PolarHBondContact NE-O 3.07Å; R84-L122 PolarHBondContact NH2-O 2.84Å; R84-R123 HydrophobicContact CG-CB 4.22Å; R84-D249 IonicContact CZ-OD1 2.76Å; R84-D249 IonicContact NH1-OD1 3.14Å; R84-D249 PolarHBondContact NH1-OD1 2.77Å; R84-D249 IonicContact NH2-OD1 2.69Å; R84-D249 PolarHBondContact NH2-OD1 3.38Å; R84-L251 VanDerWaalsContact CZ-CD2 3.5Å; R84-W299 HydrophobicContact CB-CH2 4.48Å; R84-W299 HydrophobicContact CB-CZ3 4.37Å
85L97.6Very high96.3Very high26 Ų2643.9 Ų43.914%0.13622%0.216CC..THydrogen-bonded Turntrans-64.6-12.7-169.8-57.2-178.5000113.9I10 V12 F17 V75 R80 F83 M87I10-L85 HydrophobicContact CG2-CD1 3.56Å; I10-L85 HydrophobicContact CG2-CD2 4.18Å; V12-L85 HydrophobicContact CG2-CD2 4.19Å; F17-L85 HydrophobicContact CD1-CD2 4.08Å; F17-L85 HydrophobicContact CE1-CD2 3.97Å; V75-L85 HydrophobicContact CB-CD1 4.41Å; V75-L85 HydrophobicContact CG1-CD1 3.8Å; V75-L85 HydrophobicContact CG2-CD1 4.43Å; R80-L85 HydrophobicContact CB-CD1 4.37Å; R80-L85 HydrophobicContact CG-CB 4.15Å; R80-L85 PolarHBondContact O-N 2.87Å; F83-L85 VanDerWaalsContact C-N 3.31Å; F83-L85 HydrophobicContact CB-CD2 3.54Å; F83-L85 HydrophobicContact CB-CG 4.02Å; F83-L85 PolarHBondContact O-N 3.37Å; L85-M87 PolarHBondContact O-N 3.07Å
86D95.8Very high96.5Very high134 Ų13443.3 Ų43.372%0.71721%0.213SC*.THydrogen-bonded Turntrans-71.7-12.4171.560.2-42.6000113.7R84R84-D86 WeakPolarHBondContact CA-OD1 3.45Å; R84-D86 PolarHBondContact O-N 2.81Å
87M96.2Very high96.6Very high24 Ų2444.1 Ų44.112%0.11822%0.218CC..SBendtrans-96.5131.6180-62.4-175.456.100112.7R84 L85 L89 L92 R120 L251 Y296 W299R84-M87 HydrophobicContact CB-CG 4.29Å; R84-M87 HydrophobicContact CB-SD 4.04Å; R84-M87 WeakPolarHBondContact O-CB 3.49Å; R84-M87 PolarHBondContact O-N 3.39Å; L85-M87 PolarHBondContact O-N 3.07Å; M87-L89 PolarHBondContact O-N 3.3Å; M87-L92 HydrophobicContact CE-CD1 3.85Å; M87-R120 PolarHBondContact O-NH2 3.38Å; M87-L251 HydrophobicContact CE-CD1 4.29Å; M87-L251 HydrophobicContact SD-CD1 4.16Å; M87-Y296 HydrophobicContact CE-CD1 3.32Å; M87-Y296 HydrophobicContact CE-CE1 3.11Å; M87-Y296 HydrophobicContact CE-CG 4.23Å; M87-Y296 HydrophobicContact SD-CE1 4.21Å; M87-W299 HydrophobicContact CB-CH2 4.18Å; M87-W299 HydrophobicContact CB-CZ3 4Å; M87-W299 HydrophobicContact CE-CE3 3.66Å; M87-W299 HydrophobicContact CE-CZ3 3.42Å; M87-W299 VanDerWaalsContact CE-CZ3 3.42Å; M87-W299 HydrophobicContact CG-CZ3 4.41Å; M87-W299 HydrophobicContact SD-CE3 4.31Å; M87-W299 HydrophobicContact SD-CZ3 3.62Å
88N96Very high96.7Very high77 Ų7745.2 Ų45.241%0.41223%0.228SC..  trans-85.3104.6175-170.8-55.5000110.7S90 D91 L92N88-S90 WeakPolarHBondContact OD1-CB 3.24Å; N88-S90 PolarHBondContact OD1-N 3.26Å; N88-S90 VanDerWaalsContact OD1-N 3.17Å; N88-D91 HydrophobicContact CB-CB 4.25Å; N88-D91 PolarHBondContact O-N 3.32Å; N88-D91 PolarHBondContact OD1-N 2.66Å; N88-L92 PolarHBondContact O-N 3.14Å
89L96.4Very high96.7Very high3 Ų348 Ų482%0.01624%0.239CC..Hα-helixtrans-68.4-38.8-177.517856.1000112D16 M87 D91 L92 V93 W96 L119 W299 I303D16-L89 HydrophobicContact CB-CB 4.15Å; M87-L89 PolarHBondContact O-N 3.3Å; L89-D91 VanDerWaalsContact C-N 3.28Å; L89-D91 PolarHBondContact O-N 3.32Å; L89-L92 PolarHBondContact O-N 2.79Å; L89-V93 HydrophobicContact CD1-CG2 4.05Å; L89-V93 HydrophobicContact CG-CG2 4.26Å; L89-V93 WeakPolarHBondContact O-CG2 3.33Å; L89-V93 PolarHBondContact O-N 2.91Å; L89-W96 HydrophobicContact CD1-CH2 4.42Å; L89-W96 HydrophobicContact CD1-CZ3 4.24Å; L89-L119 WeakPolarHBondContact CD2-O 3.25Å; L89-W299 HydrophobicContact CB-CZ2 4.36Å; L89-W299 HydrophobicContact CD1-CD2 4.42Å; L89-W299 HydrophobicContact CD1-CZ2 3.84Å; L89-W299 HydrophobicContact CD2-CZ2 4.35Å; L89-W299 HydrophobicContact CG-CZ2 4.42Å; L89-I303 HydrophobicContact CD1-CD1 4.37Å
90S95.1Very high96.7Very high41 Ų4148.1 Ų48.129%0.28724%0.24SC..Hα-helixtrans-58.2-39.1178.1-84.20000112.7D16 N88 V93 K94D16-S90 WeakPolarHBondContact OD1-CA 3.47Å; D16-S90 VanDerWaalsContact OD1-CB 3.25Å; D16-S90 WeakPolarHBondContact OD1-CB 3.33Å; D16-S90 PolarHBondContact OD1-N 3.46Å; D16-S90 PolarHBondContact OD1-OG 3.12Å; D16-S90 PolarHBondContact OD2-OG 3.45Å; N88-S90 WeakPolarHBondContact OD1-CB 3.24Å; N88-S90 PolarHBondContact OD1-N 3.26Å; N88-S90 VanDerWaalsContact OD1-N 3.17Å; S90-V93 PolarHBondContact O-N 2.65Å; S90-K94 VanDerWaalsContact O-CG 3.26Å; S90-K94 WeakPolarHBondContact O-CG 3.31Å; S90-K94 PolarHBondContact O-N 3.09Å
91D96.5Very high96.5Very high82 Ų8250.6 Ų50.644%0.43925%0.253SS..Hα-helixtrans-69.1-39.1177.6-69.6-20.6000112.2N88 L89 K94 E95N88-D91 HydrophobicContact CB-CB 4.25Å; N88-D91 PolarHBondContact O-N 3.32Å; N88-D91 PolarHBondContact OD1-N 2.66Å; L89-D91 VanDerWaalsContact C-N 3.28Å; L89-D91 PolarHBondContact O-N 3.32Å; D91-K94 WeakPolarHBondContact O-CB 3.39Å; D91-K94 PolarHBondContact O-N 3.1Å; D91-K94 IonicContact OD1-NZ 3.14Å; D91-K94 PolarHBondContact OD1-NZ 2.9Å; D91-E95 PolarHBondContact O-N 3.36Å
92L97.5Very high96.3Very high14 Ų1451.3 Ų51.37%0.07325%0.254CS..Hα-helixtrans-63-44.1173.1-62179.9000111.9M87 N88 L89 K94 E95 W96 Y296 W299M87-L92 HydrophobicContact CE-CD1 3.85Å; N88-L92 PolarHBondContact O-N 3.14Å; L89-L92 PolarHBondContact O-N 2.79Å; L92-K94 VanDerWaalsContact C-N 3.31Å; L92-K94 PolarHBondContact O-N 2.99Å; L92-E95 WeakPolarHBondContact O-CB 3.45Å; L92-E95 PolarHBondContact O-N 3.46Å; L92-E95 VanDerWaalsContact O-N 3.16Å; L92-W96 HydrophobicContact CB-CE3 4.41Å; L92-W96 HydrophobicContact CB-CH2 3.56Å; L92-W96 HydrophobicContact CB-CZ2 3.7Å; L92-W96 HydrophobicContact CB-CZ3 3.93Å; L92-W96 HydrophobicContact CD1-CH2 4.05Å; L92-W96 HydrophobicContact CD1-CZ2 4.21Å; L92-W96 HydrophobicContact CG-CH2 4.41Å; L92-W96 HydrophobicContact CG-CZ2 4.41Å; L92-W96 PolarHBondContact O-N 3.04Å; L92-Y296 HydrophobicContact CD1-CG 4.21Å; L92-Y296 HydrophobicContact CD2-CD2 3.31Å; L92-Y296 HydrophobicContact CD2-CE2 3.85Å; L92-Y296 HydrophobicContact CD2-CG 3.73Å; L92-W299 HydrophobicContact CD1-CD2 4.29Å; L92-W299 HydrophobicContact CD1-CE3 4.03Å; L92-W299 HydrophobicContact CD1-CZ3 4.42Å
93V95.6Very high96.1Very high13 Ų1350.7 Ų50.78%0.07925%0.251CS..Hα-helixtrans-62.2-39.1177170.90000111.3L89 S90 W96 S97 F107L89-V93 HydrophobicContact CD1-CG2 4.05Å; L89-V93 HydrophobicContact CG-CG2 4.26Å; L89-V93 WeakPolarHBondContact O-CG2 3.33Å; L89-V93 PolarHBondContact O-N 2.91Å; S90-V93 PolarHBondContact O-N 2.65Å; V93-W96 HydrophobicContact CG2-CE3 4.11Å; V93-W96 HydrophobicContact CG2-CZ3 3.98Å; V93-W96 PolarHBondContact O-N 2.95Å; V93-S97 VanDerWaalsContact O-CB 3.28Å; V93-S97 WeakPolarHBondContact O-CB 3.32Å; V93-S97 PolarHBondContact O-N 3.3Å; V93-S97 PolarHBondContact O-OG 3.42Å; V93-F107 HydrophobicContact CG1-CB 3.44Å; V93-F107 VanDerWaalsContact CG1-CB 3.44Å; V93-F107 HydrophobicContact CG1-CD1 3.61Å; V93-F107 HydrophobicContact CG1-CD2 4.19Å; V93-F107 HydrophobicContact CG1-CE1 4.39Å; V93-F107 HydrophobicContact CG1-CG 3.48Å; V93-F107 VanDerWaalsContact CG1-CG 3.48Å; V93-F107 HydrophobicContact CG2-CD1 4.17Å; V93-F107 HydrophobicContact CG2-CE1 4.18Å
94K95.5Very high95.9Very high123 Ų12355.6 Ų55.654%0.53527%0.274SS..Hα-helixtrans-60.9-45.2173.4-70.7167.1-158159.20111.1S90 D91 L92 S97 I98S90-K94 VanDerWaalsContact O-CG 3.26Å; S90-K94 WeakPolarHBondContact O-CG 3.31Å; S90-K94 PolarHBondContact O-N 3.09Å; D91-K94 WeakPolarHBondContact O-CB 3.39Å; D91-K94 PolarHBondContact O-N 3.1Å; D91-K94 IonicContact OD1-NZ 3.14Å; D91-K94 PolarHBondContact OD1-NZ 2.9Å; L92-K94 VanDerWaalsContact C-N 3.31Å; L92-K94 PolarHBondContact O-N 2.99Å; K94-S97 PolarHBondContact O-N 2.98Å; K94-I98 WeakPolarHBondContact O-CG1 3.38Å; K94-I98 PolarHBondContact O-N 2.79Å
95E96.9Very high95.5Very high71 Ų7159.3 Ų59.333%0.33230%0.295SS..Hα-helixtrans-60.4-47.6177.9-169.8-170158.100111.6D91 L92 S97 I98 K99D91-E95 PolarHBondContact O-N 3.36Å; L92-E95 WeakPolarHBondContact O-CB 3.45Å; L92-E95 PolarHBondContact O-N 3.46Å; L92-E95 VanDerWaalsContact O-N 3.16Å; E95-S97 VanDerWaalsContact C-N 3.32Å; E95-S97 PolarHBondContact O-N 2.88Å; E95-I98 PolarHBondContact O-N 3.41Å; E95-K99 IonicContact OE1-NZ 3.82Å; E95-K99 PolarHBondContact OE1-NZ 2.68Å
96W97.4Very high95.1Very high0 Ų062.1 Ų62.10%030%0.304CS..Hα-helixtrans-66.3-35.4177.9-56.7-36.2000112.2L89 L92 V93 I98 K99 D100 F103 W293 Y296 W299 A300 I303L89-W96 HydrophobicContact CD1-CH2 4.42Å; L89-W96 HydrophobicContact CD1-CZ3 4.24Å; L92-W96 HydrophobicContact CB-CE3 4.41Å; L92-W96 HydrophobicContact CB-CH2 3.56Å; L92-W96 HydrophobicContact CB-CZ2 3.7Å; L92-W96 HydrophobicContact CB-CZ3 3.93Å; L92-W96 HydrophobicContact CD1-CH2 4.05Å; L92-W96 HydrophobicContact CD1-CZ2 4.21Å; L92-W96 HydrophobicContact CG-CH2 4.41Å; L92-W96 HydrophobicContact CG-CZ2 4.41Å; L92-W96 PolarHBondContact O-N 3.04Å; V93-W96 HydrophobicContact CG2-CE3 4.11Å; V93-W96 HydrophobicContact CG2-CZ3 3.98Å; V93-W96 PolarHBondContact O-N 2.95Å; W96-I98 PolarHBondContact O-N 3.13Å; W96-K99 PolarHBondContact O-N 2.95Å; W96-K99 VanDerWaalsContact O-N 3.12Å; W96-D100 WeakPolarHBondContact O-CA 3.49Å; W96-D100 WeakPolarHBondContact O-CB 3.23Å; W96-D100 PolarHBondContact O-N 3.26Å; W96-F103 HydrophobicContact CB-CB 4.2Å; W96-F103 HydrophobicContact CB-CD1 4.21Å; W96-F103 HydrophobicContact CB-CD2 3.87Å; W96-F103 HydrophobicContact CB-CE2 4.3Å; W96-F103 HydrophobicContact CB-CG 3.83Å; W96-F103 HydrophobicContact CD2-CE1 4.44Å; W96-F103 HydrophobicContact CD2-CZ 4.49Å; W96-F103 HydrophobicContact CE3-CD1 4.04Å; W96-F103 AromaticContact CE3-CE1 3.64Å; W96-F103 HydrophobicContact CE3-CE1 3.64Å; W96-F103 HydrophobicContact CE3-CZ 4.04Å; W96-F103 HydrophobicContact CZ3-CE1 4.28Å; W96-W293 PolarHBondContact NE1-O 2.79Å; W96-Y296 VanDerWaalsContact CZ2-O 3.29Å; W96-Y296 WeakPolarHBondContact CZ2-O 3.44Å; W96-W299 HydrophobicContact CH2-CB 3.68Å; W96-W299 AromaticContact CH2-CD1 3.94Å; W96-W299 AromaticContact CH2-CG 3.81Å; W96-W299 HydrophobicContact CH2-CG 3.81Å; W96-W299 HydrophobicContact CZ2-CB 3.97Å; W96-A300 HydrophobicContact CD2-CB 3.81Å; W96-A300 HydrophobicContact CE3-CB 4.19Å; W96-A300 HydrophobicContact CG-CB 4.23Å; W96-A300 HydrophobicContact CH2-CB 4.42Å; W96-A300 HydrophobicContact CZ2-CB 4.03Å; W96-A300 HydrophobicContact CZ3-CB 4.5Å; W96-I303 HydrophobicContact CE3-CD1 4.48Å; W96-I303 HydrophobicContact CH2-CD1 4.41Å; W96-I303 HydrophobicContact CZ3-CD1 3.69Å
97S95.9Very high94.8Very high24 Ų2456.5 Ų56.517%0.16827%0.273CS..Hα-helixtrans-63.1-29.3178.4-61.90000112.9V93 K94 E95 K99V93-S97 VanDerWaalsContact O-CB 3.28Å; V93-S97 WeakPolarHBondContact O-CB 3.32Å; V93-S97 PolarHBondContact O-N 3.3Å; V93-S97 PolarHBondContact O-OG 3.42Å; K94-S97 PolarHBondContact O-N 2.98Å; E95-S97 VanDerWaalsContact C-N 3.32Å; E95-S97 PolarHBondContact O-N 2.88Å; S97-K99 VanDerWaalsContact C-N 3.35Å
98I96.5Very high94.2Very high147 Ų14757.4 Ų57.475%0.75428%0.282SS*.Hα-helixtrans-67.9-36.9175.3-66.8164.1000111.3K94 E95 W96K94-I98 WeakPolarHBondContact O-CG1 3.38Å; K94-I98 PolarHBondContact O-N 2.79Å; E95-I98 PolarHBondContact O-N 3.41Å; W96-I98 PolarHBondContact O-N 3.13Å
99K95.1Very high93.1Very high85 Ų8563.1 Ų63.137%0.3730%0.303SS..Hα-helixtrans-94.1-28.8-173.6-54.4176.4-163.8169.40112.3E95 W96 S97 F292E95-K99 IonicContact OE1-NZ 3.82Å; E95-K99 PolarHBondContact OE1-NZ 2.68Å; W96-K99 PolarHBondContact O-N 2.95Å; W96-K99 VanDerWaalsContact O-N 3.12Å; S97-K99 VanDerWaalsContact C-N 3.35Å; K99-F292 VanDerWaalsContact CD-O 3.27Å; K99-F292 WeakPolarHBondContact CD-O 3.4Å; K99-F292 WeakPolarHBondContact O-CE2 3.32Å; K99-F292 WeakPolarHBondContact O-CZ 2.93Å
100D95.9Very high91.8Very high3 Ų370.5 Ų70.52%0.01634%0.343CS..  trans-128.7104.8-169.8-169.6-17.3000111.8W96 W102 F103 E104 K267 F292 W293W96-D100 WeakPolarHBondContact O-CA 3.49Å; W96-D100 WeakPolarHBondContact O-CB 3.23Å; W96-D100 PolarHBondContact O-N 3.26Å; D100-W102 PolarHBondContact O-N 3.41Å; D100-W102 WeakPolarHBondContact OD1-CB 3.35Å; D100-W102 PolarHBondContact OD1-N 2.71Å; D100-F103 HydrophobicContact CB-CD2 3.94Å; D100-F103 PolarHBondContact O-N 2.98Å; D100-E104 PolarHBondContact O-N 3.48Å; D100-E104 VanDerWaalsContact O-N 3.1Å; D100-K267 IonicContact OD1-NZ 2.83Å; D100-K267 PolarHBondContact OD1-NZ 2.94Å; D100-K267 WeakPolarHBondContact OD2-CE 3.32Å; D100-K267 IonicContact OD2-NZ 2.92Å; D100-K267 PolarHBondContact OD2-NZ 3.28Å; D100-F292 HydrophobicContact CB-CE1 3.73Å; D100-F292 HydrophobicContact CB-CZ 3.91Å; D100-W293 PolarHBondContact OD2-NE1 3.18Å
101K94Very high90.4Very high143 Ų14370.2 Ų70.262%0.62234%0.34SS*.Hα-helixtrans-54.2-24.9175.5-173.3168.9-174.4172.50113.8N105K101-N105 WeakPolarHBondContact O-CB 3.31Å; K101-N105 PolarHBondContact O-N 2.94Å; K101-N105 PolarHBondContact O-ND2 3.25Å; K101-N105 VanDerWaalsContact O-ND2 3.07Å
102W93.4Very high88.6Confident41 Ų4174.5 Ų74.516%0.15536%0.357CS..Hα-helixtrans-65.1-46.4173.7-175.893.8000111.2D100 R106 F107 I303 L304 T307D100-W102 PolarHBondContact O-N 3.41Å; D100-W102 WeakPolarHBondContact OD1-CB 3.35Å; D100-W102 PolarHBondContact OD1-N 2.71Å; W102-R106 HydrophobicContact CD2-CG 4.04Å; W102-R106 HydrophobicContact CE3-CG 4.37Å; W102-R106 HydrophobicContact CH2-CG 4.25Å; W102-R106 HydrophobicContact CZ2-CG 3.91Å; W102-R106 HydrophobicContact CZ3-CG 4.46Å; W102-R106 WeakPolarHBondContact O-CB 3.26Å; W102-R106 VanDerWaalsContact O-CG 3.31Å; W102-R106 WeakPolarHBondContact O-CG 3.43Å; W102-R106 PolarHBondContact O-N 3.49Å; W102-F107 HydrophobicContact CZ3-CE2 4.1Å; W102-I303 HydrophobicContact CH2-CG2 4.13Å; W102-I303 HydrophobicContact CZ3-CG2 4.1Å; W102-L304 HydrophobicContact CD2-CD2 3.47Å; W102-L304 VanDerWaalsContact CD2-CD2 3.47Å; W102-L304 HydrophobicContact CD2-CG 4.35Å; W102-L304 VanDerWaalsContact CE2-CD2 3.46Å; W102-L304 HydrophobicContact CE3-CD2 3.55Å; W102-L304 HydrophobicContact CE3-CG 3.92Å; W102-L304 HydrophobicContact CG-CD2 4.16Å; W102-L304 HydrophobicContact CH2-CD2 3.69Å; W102-L304 HydrophobicContact CH2-CG 3.98Å; W102-L304 HydrophobicContact CZ2-CD2 3.58Å; W102-L304 HydrophobicContact CZ2-CG 4.38Å; W102-L304 HydrophobicContact CZ3-CD2 3.67Å; W102-L304 HydrophobicContact CZ3-CG 3.73Å; W102-T307 HydrophobicContact CH2-CG2 4.39Å; W102-T307 HydrophobicContact CZ2-CG2 3.82Å
103F94.3Very high86.8Confident0 Ų080.3 Ų80.30%039%0.386CS..Hα-helixtrans-65.7-44.6175.8-83.2-83.3000110.8W96 D100 N105 R106 F107 W293 A300 I303 L304W96-F103 HydrophobicContact CB-CB 4.2Å; W96-F103 HydrophobicContact CB-CD1 4.21Å; W96-F103 HydrophobicContact CB-CD2 3.87Å; W96-F103 HydrophobicContact CB-CE2 4.3Å; W96-F103 HydrophobicContact CB-CG 3.83Å; W96-F103 HydrophobicContact CD2-CE1 4.44Å; W96-F103 HydrophobicContact CD2-CZ 4.49Å; W96-F103 HydrophobicContact CE3-CD1 4.04Å; W96-F103 AromaticContact CE3-CE1 3.64Å; W96-F103 HydrophobicContact CE3-CE1 3.64Å; W96-F103 HydrophobicContact CE3-CZ 4.04Å; W96-F103 HydrophobicContact CZ3-CE1 4.28Å; D100-F103 HydrophobicContact CB-CD2 3.94Å; D100-F103 PolarHBondContact O-N 2.98Å; F103-N105 VanDerWaalsContact C-N 3.35Å; F103-N105 PolarHBondContact O-N 3.32Å; F103-R106 PolarHBondContact O-N 3.35Å; F103-F107 AromaticContact CD1-CD2 3.77Å; F103-F107 HydrophobicContact CD1-CD2 3.77Å; F103-F107 AromaticContact CD1-CE2 3.65Å; F103-F107 HydrophobicContact CD1-CE2 3.65Å; F103-F107 AromaticContact CE1-CE2 3.96Å; F103-F107 HydrophobicContact CE1-CE2 3.96Å; F103-F107 WeakPolarHBondContact O-CB 3.43Å; F103-F107 WeakPolarHBondContact O-CD2 3.44Å; F103-F107 PolarHBondContact O-N 3.33Å; F103-W293 AromaticContact CE2-NE1 3.85Å; F103-A300 HydrophobicContact CE2-CB 3.95Å; F103-A300 HydrophobicContact CZ-CB 3.7Å; F103-I303 HydrophobicContact CE1-CB 4.25Å; F103-I303 HydrophobicContact CE1-CD1 4.11Å; F103-I303 HydrophobicContact CE1-CG2 3.83Å; F103-I303 HydrophobicContact CZ-CB 4.35Å; F103-I303 HydrophobicContact CZ-CG2 4.23Å; F103-L304 HydrophobicContact CE2-CD1 3.77Å; F103-L304 HydrophobicContact CE2-CG 4.2Å; F103-L304 HydrophobicContact CZ-CD1 4.22Å; F103-L304 HydrophobicContact CZ-CG 4.28Å
104E93.3Very high85.7Confident104 Ų10480.4 Ų80.449%0.48639%0.386SS..Hα-helixtrans-52.7-51.8176.5-171.8-171.4-169.800111.8D100 S108D100-E104 PolarHBondContact O-N 3.48Å; D100-E104 VanDerWaalsContact O-N 3.1Å; E104-S108 VanDerWaalsContact O-CB 3.31Å; E104-S108 WeakPolarHBondContact O-CB 2.96Å; E104-S108 PolarHBondContact O-N 2.95Å
105N90.9Very high85Confident91 Ų9176.9 Ų76.949%0.48738%0.375SS..Hα-helixtrans-66.1-46.5-177.9-70.8-29000112.2K101 F103 S108K101-N105 WeakPolarHBondContact O-CB 3.31Å; K101-N105 PolarHBondContact O-N 2.94Å; K101-N105 PolarHBondContact O-ND2 3.25Å; K101-N105 VanDerWaalsContact O-ND2 3.07Å; F103-N105 VanDerWaalsContact C-N 3.35Å; F103-N105 PolarHBondContact O-N 3.32Å; N105-S108 PolarHBondContact O-OG 3.28Å
106R88.3Confident84.6Confident84 Ų8473.5 Ų73.532%0.31736%0.359SS..Hα-helixtrans-72.6-33.5-174.9-73.7-61.1-161.5-175.7-1.3113.4W102 F103 C111 D114 E311W102-R106 HydrophobicContact CD2-CG 4.04Å; W102-R106 HydrophobicContact CE3-CG 4.37Å; W102-R106 HydrophobicContact CH2-CG 4.25Å; W102-R106 HydrophobicContact CZ2-CG 3.91Å; W102-R106 HydrophobicContact CZ3-CG 4.46Å; W102-R106 WeakPolarHBondContact O-CB 3.26Å; W102-R106 VanDerWaalsContact O-CG 3.31Å; W102-R106 WeakPolarHBondContact O-CG 3.43Å; W102-R106 PolarHBondContact O-N 3.49Å; F103-R106 PolarHBondContact O-N 3.35Å; R106-C111 VanDerWaalsContact O-CB 3.29Å; R106-C111 WeakPolarHBondContact O-CB 3.23Å; R106-D114 WeakPolarHBondContact CB-OD2 3.41Å; R106-D114 VanDerWaalsContact CD-OD2 3.28Å; R106-D114 WeakPolarHBondContact CD-OD2 3.49Å; R106-D114 IonicContact NE-OD2 3.78Å; R106-E311 IonicContact CZ-OE1 2.82Å; R106-E311 IonicContact NH2-OE1 2.69Å; R106-E311 PolarHBondContact NH2-OE1 3.22Å
107F89Confident84.4Confident16 Ų1675.7 Ų75.77%0.0737%0.367CS..Hα-helixtrans-103.50.8-176-69.6-97.7000113.9V93 W102 F103 R117 I303V93-F107 HydrophobicContact CG1-CB 3.44Å; V93-F107 VanDerWaalsContact CG1-CB 3.44Å; V93-F107 HydrophobicContact CG1-CD1 3.61Å; V93-F107 HydrophobicContact CG1-CD2 4.19Å; V93-F107 HydrophobicContact CG1-CE1 4.39Å; V93-F107 HydrophobicContact CG1-CG 3.48Å; V93-F107 VanDerWaalsContact CG1-CG 3.48Å; V93-F107 HydrophobicContact CG2-CD1 4.17Å; V93-F107 HydrophobicContact CG2-CE1 4.18Å; W102-F107 HydrophobicContact CZ3-CE2 4.1Å; F103-F107 AromaticContact CD1-CD2 3.77Å; F103-F107 HydrophobicContact CD1-CD2 3.77Å; F103-F107 AromaticContact CD1-CE2 3.65Å; F103-F107 HydrophobicContact CD1-CE2 3.65Å; F103-F107 AromaticContact CE1-CE2 3.96Å; F103-F107 HydrophobicContact CE1-CE2 3.96Å; F103-F107 WeakPolarHBondContact O-CB 3.43Å; F103-F107 WeakPolarHBondContact O-CD2 3.44Å; F103-F107 PolarHBondContact O-N 3.33Å; F107-R117 VanDerWaalsContact C-NH2 3.25Å; F107-R117 HydrophobicContact CD1-CG 4.36Å; F107-R117 HydrophobicContact CE1-CB 4.23Å; F107-R117 HydrophobicContact CE1-CG 4.27Å; F107-R117 PolarHBondContact O-NH1 2.76Å; F107-R117 PolarHBondContact O-NH2 3.31Å; F107-I303 HydrophobicContact CE2-CG2 3.99Å; F107-I303 HydrophobicContact CZ-CG2 3.72Å
108S84.3Confident84.3Confident43 Ų4374.6 Ų74.630%0.30136%0.36SS..SBendtrans-51.3152.9170.368.40000112.5E104 N105 N110 C111 R117E104-S108 VanDerWaalsContact O-CB 3.31Å; E104-S108 WeakPolarHBondContact O-CB 2.96Å; E104-S108 PolarHBondContact O-N 2.95Å; N105-S108 PolarHBondContact O-OG 3.28Å; S108-N110 PolarHBondContact O-N 3.49Å; S108-N110 VanDerWaalsContact O-N 3.1Å; S108-C111 PolarHBondContact O-N 2.77Å; S108-R117 PolarHBondContact O-NH2 3.02Å
109K73Confident84.4Confident197 Ų19767.6 Ų67.686%0.85732%0.324SS*.THydrogen-bonded Turntrans-58.6-23.9177.3-65.7-175.9179.4-178.70113.2C111K109-C111 VanDerWaalsContact C-N 3.3Å
110N68.5Low84.5Confident159 Ų15963.6 Ų63.685%0.8531%0.307SS*.THydrogen-bonded Turntrans-80-13178.9-62.1-19.7000112.6S108S108-N110 PolarHBondContact O-N 3.49Å; S108-N110 VanDerWaalsContact O-N 3.1Å
111C67.1Low84.6Confident35 Ų3563.5 Ų63.524%0.23631%0.306CS..  trans-105.978.4176.6-157.60000109.9R106 S108 K109 M113 R117R106-C111 VanDerWaalsContact O-CB 3.29Å; R106-C111 WeakPolarHBondContact O-CB 3.23Å; S108-C111 PolarHBondContact O-N 2.77Å; K109-C111 VanDerWaalsContact C-N 3.3Å; C111-M113 PolarHBondContact O-N 3.46Å; C111-R117 PolarHBondContact O-NH2 3.25Å
112Q57.4Low84.9Confident171 Ų17156.7 Ų56.780%0.79928%0.276SS*.THydrogen-bonded Turntrans-73.6-13.7-179.4-71.6-178.9-4.100113.8
113M59.5Low85.1Confident136 Ų13657.8 Ų57.867%0.6728%0.28SS*.THydrogen-bonded Turntrans-114.218.8-164.2-71-142.170.600114.8C111 T115C111-M113 PolarHBondContact O-N 3.46Å; M113-T115 PolarHBondContact O-N 2.89Å
114D73.1Confident85.3Confident15 Ų1558.2 Ų58.28%0.0828%0.283CS..  trans-72.3115.3175.9-158.9-40.9000110.8R106 A116 R117R106-D114 WeakPolarHBondContact CB-OD2 3.41Å; R106-D114 VanDerWaalsContact CD-OD2 3.28Å; R106-D114 WeakPolarHBondContact CD-OD2 3.49Å; R106-D114 IonicContact NE-OD2 3.78Å; D114-A116 PolarHBondContact O-N 2.83Å; D114-A116 WeakPolarHBondContact OD1-CB 3.42Å; D114-A116 PolarHBondContact OD1-N 2.98Å; D114-R117 VanDerWaalsContact O-CB 3.3Å; D114-R117 WeakPolarHBondContact O-CB 3.47Å; D114-R117 PolarHBondContact O-N 2.98Å
115T81.4Confident85.5Confident50 Ų5054.6 Ų54.631%0.30727%0.267SS..THydrogen-bonded Turntrans-58.1-17.5176.2570000114.1S21 M113 Y306 I322S21-T115 WeakPolarHBondContact CB-O 3.38Å; M113-T115 PolarHBondContact O-N 2.89Å; T115-Y306 WeakPolarHBondContact O-CE1 3.31Å; T115-I322 HydrophobicContact CG2-CD1 4.4Å
116A89.1Confident85.8Confident0 Ų050.4 Ų50.40%024%0.244CC..THydrogen-bonded Turntrans-91.2-6.1178.300000113.1D114 L119 I303 Y306 T307D114-A116 PolarHBondContact O-N 2.83Å; D114-A116 WeakPolarHBondContact OD1-CB 3.42Å; D114-A116 PolarHBondContact OD1-N 2.98Å; A116-L119 WeakPolarHBondContact O-CB 3.47Å; A116-L119 PolarHBondContact O-N 3.19Å; A116-I303 HydrophobicContact CB-CG2 3.99Å; A116-Y306 HydrophobicContact CB-CD1 3.78Å; A116-Y306 HydrophobicContact CB-CE1 4.14Å; A116-T307 WeakPolarHBondContact CB-OG1 3.39Å
117R91.8Very high86.3Confident45 Ų4547.4 Ų47.417%0.1723%0.234CC..THydrogen-bonded Turntrans-63.6138.7175.4-165.9177.1-65.5-101.89110.4N18 F107 S108 C111 D114 L119N18-R117 WeakPolarHBondContact CB-O 3.48Å; F107-R117 VanDerWaalsContact C-NH2 3.25Å; F107-R117 HydrophobicContact CD1-CG 4.36Å; F107-R117 HydrophobicContact CE1-CB 4.23Å; F107-R117 HydrophobicContact CE1-CG 4.27Å; F107-R117 PolarHBondContact O-NH1 2.76Å; F107-R117 PolarHBondContact O-NH2 3.31Å; S108-R117 PolarHBondContact O-NH2 3.02Å; C111-R117 PolarHBondContact O-NH2 3.25Å; D114-R117 VanDerWaalsContact O-CB 3.3Å; D114-R117 WeakPolarHBondContact O-CB 3.47Å; D114-R117 PolarHBondContact O-N 2.98Å; R117-L119 PolarHBondContact O-N 3.31Å
118G95.2Very high86.7Confident1 Ų148 Ų481%0.0124%0.237CC..THydrogen-bonded Turntrans72.93.5-174.900000115.3Q15 F17 N18 R120Q15-G118 VanDerWaalsContact O-CA 3.22Å; Q15-G118 WeakPolarHBondContact O-CA 3.4Å; Q15-G118 PolarHBondContact O-N 3.38Å; Q15-G118 VanDerWaalsContact O-N 3.1Å; F17-G118 CarbonylContact C-O 3.55Å; F17-G118 VanDerWaalsContact CA-O 3.31Å; F17-G118 WeakPolarHBondContact CA-O 3.44Å; N18-G118 PolarHBondContact N-O 3.08Å; G118-R120 PolarHBondContact O-N 3.05Å
119L97Very high87.4Confident0 Ų046 Ų460%022%0.223CC..PPolyproline II helixtrans-65.9120.2178.8-172.3161.3000110.2S21 L89 A116 R117 W299 T302 I303 Y306S21-L119 WeakPolarHBondContact OG-CA 3.39Å; S21-L119 WeakPolarHBondContact OG-CB 3.31Å; L89-L119 WeakPolarHBondContact CD2-O 3.25Å; A116-L119 WeakPolarHBondContact O-CB 3.47Å; A116-L119 PolarHBondContact O-N 3.19Å; R117-L119 PolarHBondContact O-N 3.31Å; L119-W299 PolarHBondContact O-NE1 3.17Å; L119-T302 HydrophobicContact CD2-CG2 3.54Å; L119-I303 HydrophobicContact CB-CG1 4.37Å; L119-I303 HydrophobicContact CD2-CG1 4.31Å; L119-Y306 HydrophobicContact CD1-CD1 3.57Å; L119-Y306 HydrophobicContact CD1-CD2 4.38Å; L119-Y306 HydrophobicContact CD1-CE1 4.33Å; L119-Y306 HydrophobicContact CD1-CG 3.57Å
120R98.2Very high88.6Confident2 Ų236.6 Ų36.61%0.00818%0.182CC..PPolyproline II helixtrans-97.1143178.9-55-165.87291.5-1.7113.3D16 F17 T22 Q27 F83 R84 M87 G118 W299D16-R120 PolarHBondContact O-NH1 3.33Å; F17-R120 VanDerWaalsContact CD2-CD 3.5Å; F17-R120 HydrophobicContact CD2-CG 3.8Å; F17-R120 HydrophobicContact CE2-CG 4.33Å; F17-R120 HydrophobicContact CG-CG 4.31Å; T22-R120 HydrophobicContact CG2-CB 4.11Å; T22-R120 PolarHBondContact OG1-N 3.45Å; Q27-R120 PolarHBondContact NE2-O 2.99Å; F83-R120 PolarHBondContact O-NE 3.47Å; R84-R120 PolarHBondContact O-NH2 2.91Å; M87-R120 PolarHBondContact O-NH2 3.38Å; G118-R120 PolarHBondContact O-N 3.05Å; R120-W299 VanDerWaalsContact CA-CZ2 3.47Å; R120-W299 HydrophobicContact CB-CH2 4.4Å; R120-W299 HydrophobicContact CB-CZ2 3.9Å; R120-W299 HydrophobicContact CG-CZ2 4.18Å
121L98.6Very high90Very high0 Ų029.1 Ų29.10%014%0.142CC..PPolyproline II helixtrans-78.8130.4168.7-178.265.1000109.3R84 L245 M246 L251 W299R84-L121 VanDerWaalsContact CD-O 3.27Å; R84-L121 WeakPolarHBondContact CD-O 3.43Å; R84-L121 WeakPolarHBondContact CG-O 3.43Å; L121-L245 HydrophobicContact CD1-CD1 4.11Å; L121-L245 HydrophobicContact CD1-CD2 4.32Å; L121-L245 HydrophobicContact CD1-CG 3.96Å; L121-L245 HydrophobicContact CD2-CD1 3.62Å; L121-L245 HydrophobicContact CD2-CG 4.37Å; L121-L245 HydrophobicContact CG-CD1 4.48Å; L121-M246 HydrophobicContact CD1-CG 4.19Å; L121-L251 HydrophobicContact CD2-CD2 3.69Å; L121-W299 HydrophobicContact CB-CB 4.24Å; L121-W299 HydrophobicContact CB-CD2 3.4Å; L121-W299 VanDerWaalsContact CB-CD2 3.4Å; L121-W299 HydrophobicContact CB-CE3 3.53Å; L121-W299 HydrophobicContact CB-CG 3.72Å; L121-W299 HydrophobicContact CB-CH2 4.48Å; L121-W299 HydrophobicContact CB-CZ2 4.41Å; L121-W299 HydrophobicContact CB-CZ3 4.04Å; L121-W299 HydrophobicContact CD2-CB 4.14Å; L121-W299 HydrophobicContact CD2-CD2 4.47Å; L121-W299 HydrophobicContact CD2-CE3 4.2Å; L121-W299 HydrophobicContact CD2-CG 4.48Å
122L98.7Very high91.5Very high0 Ų027.6 Ų27.60%013%0.131CC..PPolyproline II helixtrans-85.9155.6-175.6-57.7179.9000112.3T22 Q27 A28 Y82 F83 R84 Q124T22-L122 HydrophobicContact CG2-CD2 3.62Å; T22-L122 HydrophobicContact CG2-CG 4.38Å; Q27-L122 HydrophobicContact CB-CD1 3.92Å; Q27-L122 HydrophobicContact CB-CG 4.36Å; A28-L122 HydrophobicContact CB-CD1 3.73Å; Y82-L122 HydrophobicContact CD1-CD2 3.97Å; Y82-L122 HydrophobicContact CE1-CD1 3.98Å; Y82-L122 HydrophobicContact CE1-CD2 3.64Å; Y82-L122 HydrophobicContact CE1-CG 4.29Å; Y82-L122 CarbonylContact O-C 3.55Å; Y82-L122 WeakPolarHBondContact O-CA 3.05Å; F83-L122 HydrophobicContact CD1-CD2 3.58Å; F83-L122 HydrophobicContact CE1-CD2 3.81Å; R84-L122 PolarHBondContact NE-O 3.07Å; R84-L122 PolarHBondContact NH2-O 2.84Å; L122-Q124 HydrophobicContact CB-CG 3.81Å; L122-Q124 HydrophobicContact CD1-CG 4.36Å
123R98.4Very high93.5Very high64 Ų6419.7 Ų19.724%0.2429%0.094CC..  trans-118.182.8166.5-167.6-178.4-169.7-169.63.6109.2D81 Y82 R84 D249D81-R123 WeakPolarHBondContact O-CB 3.4Å; D81-R123 WeakPolarHBondContact OD1-CD 3.22Å; D81-R123 IonicContact OD1-CZ 3.2Å; D81-R123 IonicContact OD1-NE 3.66Å; D81-R123 IonicContact OD1-NH1 2.82Å; D81-R123 PolarHBondContact OD1-NH1 3.42Å; D81-R123 IonicContact OD2-NH1 3.49Å; Y82-R123 PolarHBondContact O-N 3.35Å; R84-R123 HydrophobicContact CG-CB 4.22Å; R123-D249 WeakPolarHBondContact CD-OD1 3.45Å; R123-D249 WeakPolarHBondContact CG-OD1 2.99Å; R123-D249 IonicContact CZ-OD1 3.52Å; R123-D249 IonicContact CZ-OD2 2.87Å; R123-D249 VanDerWaalsContact NE-CG 3.25Å; R123-D249 IonicContact NE-OD1 3.66Å; R123-D249 PolarHBondContact NE-OD1 2.83Å; R123-D249 IonicContact NE-OD2 3.66Å; R123-D249 PolarHBondContact NE-OD2 3.14Å; R123-D249 IonicContact NH2-OD1 3.38Å; R123-D249 IonicContact NH2-OD2 3.34Å; R123-D249 PolarHBondContact NH2-OD2 3.23Å
124Q98.3Very high95.3Very high10 Ų1013.3 Ų13.35%0.0476%0.063CC..  trans-83.7167.2-172.8-60.8-176.885.400112.3Q27 A28 Y82 L122 P126 T129 R218 M246 S247Q27-Q124 PolarHBondContact O-NE2 2.85Å; A28-Q124 VanDerWaalsContact CB-OE1 3.27Å; Y82-Q124 HydrophobicContact CD2-CG 4.49Å; Y82-Q124 HydrophobicContact CE2-CB 4.27Å; Y82-Q124 HydrophobicContact CE2-CG 3.68Å; L122-Q124 HydrophobicContact CB-CG 3.81Å; L122-Q124 HydrophobicContact CD1-CG 4.36Å; Q124-P126 WeakPolarHBondContact O-CD 3.32Å; Q124-T129 WeakPolarHBondContact CB-OG1 3.25Å; Q124-R218 PolarHBondContact O-NH2 3.46Å; Q124-R218 VanDerWaalsContact O-NH2 3.1Å; Q124-M246 WeakPolarHBondContact CB-O 3.38Å; Q124-M246 PolarHBondContact N-O 2.93Å; Q124-S247 WeakPolarHBondContact O-CB 3.33Å
125D97.5Very high96.5Very high28 Ų2812.6 Ų12.615%0.156%0.059CC..  trans-63.2124.6169.6176.578.7000110.1E127 E128 T129 R211D125-E127 VanDerWaalsContact C-N 3.3Å; D125-E127 PolarHBondContact O-N 3.1Å; D125-E127 WeakPolarHBondContact OD2-CA 3.37Å; D125-E127 VanDerWaalsContact OD2-CB 3.31Å; D125-E127 WeakPolarHBondContact OD2-CB 3.41Å; D125-E127 PolarHBondContact OD2-N 3.3Å; D125-E128 HydrophobicContact CB-CB 4.45Å; D125-E128 PolarHBondContact OD2-N 3.47Å; D125-T129 VanDerWaalsContact O-CB 3.23Å; D125-T129 WeakPolarHBondContact O-CB 3.27Å; D125-T129 PolarHBondContact O-N 3.35Å; D125-T129 PolarHBondContact O-OG1 3.43Å; D125-R211 IonicContact OD1-CZ 3.99Å; D125-R211 IonicContact OD1-NE 2.82Å; D125-R211 PolarHBondContact OD1-NE 3.05Å; D125-R211 IonicContact OD1-NH2 3.8Å; D125-R211 PolarHBondContact OD1-NH2 3.14Å
126P98.2Very high97.2Very high2 Ų210.8 Ų10.81%0.0135%0.048CC..Hα-helixtrans-60.9-32.4-176.2-29.538.1000115.1Q124 L130 L214 L215 L248Q124-P126 WeakPolarHBondContact O-CD 3.32Å; P126-L130 VanDerWaalsContact O-CB 3.26Å; P126-L130 WeakPolarHBondContact O-CB 3.05Å; P126-L130 PolarHBondContact O-N 2.9Å; P126-L214 HydrophobicContact CB-CB 3.82Å; P126-L215 HydrophobicContact CG-CD2 4.04Å; P126-L248 HydrophobicContact CB-CD2 3.82Å; P126-L248 HydrophobicContact CG-CD2 3.79Å
127E97.3Very high97.5Very high22 Ų2212.1 Ų12.110%0.1036%0.06CC..Hα-helixtrans-70.4-53.2-179-174.8177.8109.900110.3D125 T129 L130 F131 L174 R211 L214D125-E127 VanDerWaalsContact C-N 3.3Å; D125-E127 PolarHBondContact O-N 3.1Å; D125-E127 WeakPolarHBondContact OD2-CA 3.37Å; D125-E127 VanDerWaalsContact OD2-CB 3.31Å; D125-E127 WeakPolarHBondContact OD2-CB 3.41Å; D125-E127 PolarHBondContact OD2-N 3.3Å; E127-T129 VanDerWaalsContact C-N 3.28Å; E127-T129 PolarHBondContact O-N 3.01Å; E127-L130 PolarHBondContact O-N 2.85Å; E127-F131 HydrophobicContact CG-CD2 4.37Å; E127-F131 HydrophobicContact CG-CE2 4.04Å; E127-F131 WeakPolarHBondContact O-CD2 3.31Å; E127-F131 PolarHBondContact O-N 2.98Å; E127-L174 HydrophobicContact CG-CD2 3.98Å; E127-L174 HydrophobicContact CG-CG 4.3Å; E127-L174 WeakPolarHBondContact OE2-CG 3.34Å; E127-R211 WeakPolarHBondContact OE2-CB 3.45Å; E127-L214 HydrophobicContact CB-CD1 4.18Å
128E97.9Very high97.4Very high29 Ų2917 Ų1714%0.1369%0.09CC..Hα-helixtrans-60.5-39.5175.7178.5169.4155.900111.6R30 D125 L130 S132 F171R30-E128 IonicContact CZ-OE1 3.91Å; R30-E128 IonicContact CZ-OE2 2.66Å; R30-E128 VanDerWaalsContact NE-CD 3.32Å; R30-E128 IonicContact NE-OE1 2.72Å; R30-E128 PolarHBondContact NE-OE1 2.89Å; R30-E128 IonicContact NE-OE2 3.74Å; R30-E128 PolarHBondContact NE-OE2 3.06Å; R30-E128 IonicContact NH2-OE1 2.87Å; R30-E128 IonicContact NH2-OE2 2.72Å; R30-E128 PolarHBondContact NH2-OE2 3.4Å; D125-E128 HydrophobicContact CB-CB 4.45Å; D125-E128 PolarHBondContact OD2-N 3.47Å; E128-L130 PolarHBondContact O-N 3.02Å; E128-S132 VanDerWaalsContact O-CB 3.23Å; E128-S132 WeakPolarHBondContact O-CB 3.45Å; E128-S132 PolarHBondContact O-N 3.36Å; E128-S132 PolarHBondContact O-OG 2.91Å; E128-F171 HydrophobicContact CB-CD1 4.37Å; E128-F171 HydrophobicContact CB-CD2 4.31Å; E128-F171 HydrophobicContact CB-CG 4.14Å; E128-F171 HydrophobicContact CG-CB 4.43Å; E128-F171 HydrophobicContact CG-CD2 3.63Å; E128-F171 HydrophobicContact CG-CE2 4Å; E128-F171 HydrophobicContact CG-CG 3.96Å
129T98.5Very high97.3Very high0 Ų018.9 Ų18.90%010%0.099CC..Hα-helixtrans-61.4-44.9178.5-59.30000111.3Q124 D125 E127 F131 S132 F133 I243Q124-T129 WeakPolarHBondContact CB-OG1 3.25Å; D125-T129 VanDerWaalsContact O-CB 3.23Å; D125-T129 WeakPolarHBondContact O-CB 3.27Å; D125-T129 PolarHBondContact O-N 3.35Å; D125-T129 PolarHBondContact O-OG1 3.43Å; E127-T129 VanDerWaalsContact C-N 3.28Å; E127-T129 PolarHBondContact O-N 3.01Å; T129-F131 PolarHBondContact O-N 2.82Å; T129-S132 PolarHBondContact O-N 3.37Å; T129-F133 HydrophobicContact CG2-CD2 3.64Å; T129-F133 HydrophobicContact CG2-CE2 3.81Å; T129-F133 VanDerWaalsContact O-CD2 3.31Å; T129-F133 WeakPolarHBondContact O-CD2 3.48Å; T129-F133 PolarHBondContact O-N 3.2Å; T129-I243 HydrophobicContact CG2-CB 4.49Å; T129-I243 HydrophobicContact CG2-CG1 4.31Å; T129-I243 HydrophobicContact CG2-CG2 4.47Å
130L98.7Very high97Very high0 Ų023.2 Ų23.20%012%0.122CC..Hα-helixtrans-58.1-51.6-180-179.4149.8000111.8P126 E127 E128 S132 F133 I134 A201 L205 L214 L229 I232 I235 I243P126-L130 VanDerWaalsContact O-CB 3.26Å; P126-L130 WeakPolarHBondContact O-CB 3.05Å; P126-L130 PolarHBondContact O-N 2.9Å; E127-L130 PolarHBondContact O-N 2.85Å; E128-L130 PolarHBondContact O-N 3.02Å; L130-S132 VanDerWaalsContact C-N 3.35Å; L130-S132 PolarHBondContact O-N 2.96Å; L130-F133 PolarHBondContact O-N 3.19Å; L130-I134 HydrophobicContact CD2-CD1 3.62Å; L130-I134 HydrophobicContact CG-CD1 4.46Å; L130-I134 WeakPolarHBondContact O-CG1 3.45Å; L130-I134 PolarHBondContact O-N 3.49Å; L130-A201 HydrophobicContact CD2-CB 4.38Å; L130-L205 HydrophobicContact CD1-CD1 4.07Å; L130-L205 HydrophobicContact CD2-CD1 4.11Å; L130-L214 HydrophobicContact CD1-CD1 4.26Å; L130-L214 HydrophobicContact CD1-CD2 3.96Å; L130-L229 HydrophobicContact CD1-CD2 4.14Å; L130-I232 HydrophobicContact CD1-CD1 3.67Å; L130-I235 HydrophobicContact CD1-CD1 3.88Å; L130-I235 HydrophobicContact CD2-CD1 4.42Å; L130-I235 HydrophobicContact CG-CD1 3.86Å; L130-I243 HydrophobicContact CB-CD1 4.16Å; L130-I243 HydrophobicContact CG-CD1 4.09Å
131F98.6Very high96.6Very high1 Ų125.5 Ų25.50%0.00413%0.134CC..Hα-helixtrans-71.2-31.6-179.3-67.9-72.3000112.7E127 T129 I134 T135 F171 L174 L177 I198 A201 A202 L205E127-F131 HydrophobicContact CG-CD2 4.37Å; E127-F131 HydrophobicContact CG-CE2 4.04Å; E127-F131 WeakPolarHBondContact O-CD2 3.31Å; E127-F131 PolarHBondContact O-N 2.98Å; T129-F131 PolarHBondContact O-N 2.82Å; F131-I134 HydrophobicContact CD1-CD1 4.46Å; F131-T135 WeakPolarHBondContact O-CB 3.16Å; F131-T135 PolarHBondContact O-N 3.2Å; F131-T135 PolarHBondContact O-OG1 2.83Å; F131-F171 HydrophobicContact CB-CE1 3.94Å; F131-F171 HydrophobicContact CB-CZ 3.58Å; F131-F171 AromaticContact CD2-CE1 3.85Å; F131-F171 HydrophobicContact CD2-CE1 3.85Å; F131-F171 HydrophobicContact CD2-CZ 4.38Å; F131-F171 HydrophobicContact CG-CE1 4.17Å; F131-F171 HydrophobicContact CG-CZ 4.28Å; F131-L174 HydrophobicContact CE2-CD2 3.44Å; F131-L174 VanDerWaalsContact CE2-CD2 3.44Å; F131-L174 HydrophobicContact CZ-CD2 3.56Å; F131-L177 HydrophobicContact CD1-CD1 3.99Å; F131-L177 HydrophobicContact CD2-CD1 3.87Å; F131-L177 HydrophobicContact CE1-CD1 3.92Å; F131-L177 HydrophobicContact CE2-CD1 3.82Å; F131-L177 HydrophobicContact CG-CD1 3.97Å; F131-L177 HydrophobicContact CZ-CD1 3.84Å; F131-I198 HydrophobicContact CD1-CB 4.46Å; F131-I198 HydrophobicContact CD1-CG1 4.42Å; F131-I198 HydrophobicContact CD1-CG2 4Å; F131-I198 HydrophobicContact CE1-CG2 4.25Å; F131-I198 WeakPolarHBondContact CE1-O 3.43Å; F131-A201 HydrophobicContact CE1-CB 3.97Å; F131-A202 HydrophobicContact CE1-CB 4.17Å; F131-A202 HydrophobicContact CZ-CB 3.95Å; F131-L205 HydrophobicContact CE2-CD1 4.26Å; F131-L205 HydrophobicContact CZ-CD1 4.04Å
132S98.4Very high96.3Very high3 Ų330 Ų302%0.02116%0.162CC..Hα-helixtrans-60.9-44.4172-65.60000111.4E128 T129 L130 T135 S136E128-S132 VanDerWaalsContact O-CB 3.23Å; E128-S132 WeakPolarHBondContact O-CB 3.45Å; E128-S132 PolarHBondContact O-N 3.36Å; E128-S132 PolarHBondContact O-OG 2.91Å; T129-S132 PolarHBondContact O-N 3.37Å; L130-S132 VanDerWaalsContact C-N 3.35Å; L130-S132 PolarHBondContact O-N 2.96Å; S132-T135 CarbonylContact O-C 3.36Å; S132-T135 WeakPolarHBondContact O-CB 3.43Å; S132-T135 PolarHBondContact O-N 3Å; S132-S136 PolarHBondContact O-N 3.08Å
133F98.4Very high96.1Very high5 Ų535.5 Ų35.52%0.02218%0.183CC..Hα-helixtrans-77.1-30.7179.7-80.6-72.2000114F29 T129 L130 T135 S136 A137 V239 C242 I243 M246F29-F133 HydrophobicContact CE2-CE1 4.28Å; F29-F133 HydrophobicContact CE2-CE2 4.41Å; F29-F133 HydrophobicContact CE2-CZ 4.03Å; F29-F133 HydrophobicContact CZ-CE1 4.21Å; F29-F133 HydrophobicContact CZ-CZ 4.27Å; T129-F133 HydrophobicContact CG2-CD2 3.64Å; T129-F133 HydrophobicContact CG2-CE2 3.81Å; T129-F133 VanDerWaalsContact O-CD2 3.31Å; T129-F133 WeakPolarHBondContact O-CD2 3.48Å; T129-F133 PolarHBondContact O-N 3.2Å; L130-F133 PolarHBondContact O-N 3.19Å; F133-T135 PolarHBondContact O-N 2.94Å; F133-S136 WeakPolarHBondContact CA-OG 3.39Å; F133-S136 WeakPolarHBondContact CD1-OG 3.48Å; F133-S136 WeakPolarHBondContact O-CB 3.49Å; F133-S136 PolarHBondContact O-N 3.33Å; F133-S136 VanDerWaalsContact O-N 3.13Å; F133-S136 PolarHBondContact O-OG 2.9Å; F133-A137 PolarHBondContact O-N 3.01Å; F133-V239 HydrophobicContact CB-CG1 3.91Å; F133-C242 HydrophobicContact CD1-CB 3.44Å; F133-C242 VanDerWaalsContact CD1-CB 3.44Å; F133-C242 HydrophobicContact CD2-CB 4.05Å; F133-C242 HydrophobicContact CE1-CB 3.55Å; F133-C242 HydrophobicContact CE2-CB 4.13Å; F133-C242 HydrophobicContact CG-CB 3.75Å; F133-C242 HydrophobicContact CZ-CB 3.94Å; F133-I243 HydrophobicContact CB-CD1 4.43Å; F133-I243 HydrophobicContact CB-CG1 4.05Å; F133-I243 HydrophobicContact CD2-CG1 4.24Å; F133-I243 HydrophobicContact CG-CG1 4.45Å; F133-M246 HydrophobicContact CE1-CE 3.7Å; F133-M246 HydrophobicContact CE2-CE 3.5Å; F133-M246 HydrophobicContact CE2-SD 3.87Å; F133-M246 HydrophobicContact CZ-CE 3.04Å; F133-M246 HydrophobicContact CZ-SD 3.51Å; F133-M246 VanDerWaalsContact CZ-SD 3.51Å
134I98.4Very high96Very high2 Ų232.7 Ų32.71%0.0117%0.173CC..Hα-helixtrans-58.1-42.7165.2-69.9174.2000110L130 F131 S136 A137 F197 I198 A201 I235L130-I134 HydrophobicContact CD2-CD1 3.62Å; L130-I134 HydrophobicContact CG-CD1 4.46Å; L130-I134 WeakPolarHBondContact O-CG1 3.45Å; L130-I134 PolarHBondContact O-N 3.49Å; F131-I134 HydrophobicContact CD1-CD1 4.46Å; I134-S136 VanDerWaalsContact C-N 3.26Å; I134-S136 PolarHBondContact O-N 3.49Å; I134-A137 PolarHBondContact O-N 2.79Å; I134-F197 HydrophobicContact CG2-CB 3.82Å; I134-I198 HydrophobicContact CG2-CG1 4.07Å; I134-A201 HydrophobicContact CD1-CB 3.65Å; I134-I235 HydrophobicContact CD1-CD1 4.4Å; I134-I235 HydrophobicContact CD1-CG1 4.09Å; I134-I235 HydrophobicContact CG1-CG1 3.96Å
135T98.2Very high95.9Very high0 Ų034.5 Ų34.50%018%0.184CC..Hα-helixtrans-65.1-30.9176.7-56.20000112.4F131 S132 F133 N139 I144 L147 L148 F191 R194F131-T135 WeakPolarHBondContact O-CB 3.16Å; F131-T135 PolarHBondContact O-N 3.2Å; F131-T135 PolarHBondContact O-OG1 2.83Å; S132-T135 CarbonylContact O-C 3.36Å; S132-T135 WeakPolarHBondContact O-CB 3.43Å; S132-T135 PolarHBondContact O-N 3Å; F133-T135 PolarHBondContact O-N 2.94Å; T135-N139 PolarHBondContact O-ND2 2.84Å; T135-I144 HydrophobicContact CG2-CG2 4.27Å; T135-L147 HydrophobicContact CG2-CB 4.12Å; T135-L147 HydrophobicContact CG2-CD1 4.11Å; T135-L148 HydrophobicContact CG2-CD2 4.27Å; T135-L148 HydrophobicContact CG2-CG 4.25Å; T135-F191 HydrophobicContact CG2-CD1 4.2Å; T135-F191 HydrophobicContact CG2-CE1 3.68Å; T135-R194 VanDerWaalsContact O-CD 3.26Å; T135-R194 WeakPolarHBondContact O-CD 3.33Å; T135-R194 PolarHBondContact O-NE 2.65Å
136S96.5Very high95.8Very high12 Ų1240 Ų408%0.08421%0.207CC..Hα-helixtrans-73.6-24.5-178.684.60000115.3S132 F133 I134 N138 N139S132-S136 PolarHBondContact O-N 3.08Å; F133-S136 WeakPolarHBondContact CA-OG 3.39Å; F133-S136 WeakPolarHBondContact CD1-OG 3.48Å; F133-S136 WeakPolarHBondContact O-CB 3.49Å; F133-S136 PolarHBondContact O-N 3.33Å; F133-S136 VanDerWaalsContact O-N 3.13Å; F133-S136 PolarHBondContact O-OG 2.9Å; I134-S136 VanDerWaalsContact C-N 3.26Å; I134-S136 PolarHBondContact O-N 3.49Å; S136-N138 PolarHBondContact O-N 2.97Å; S136-N139 WeakPolarHBondContact O-CB 3.49Å; S136-N139 PolarHBondContact O-N 2.89Å; S136-N139 VanDerWaalsContact O-N 3.1Å
137A94.3Very high95.8Very high29 Ų2940.4 Ų40.424%0.2421%0.209CC..THydrogen-bonded Turntrans-57.1124.3-172.300000111.1F133 I134 N139 Y193 R194 V239F133-A137 PolarHBondContact O-N 3.01Å; I134-A137 PolarHBondContact O-N 2.79Å; A137-N139 VanDerWaalsContact C-N 3.34Å; A137-N139 PolarHBondContact O-N 2.92Å; A137-Y193 PolarHBondContact O-OH 3.32Å; A137-Y193 VanDerWaalsContact O-OH 3.08Å; A137-R194 PolarHBondContact O-NE 2.98Å; A137-R194 PolarHBondContact O-NH2 3.26Å; A137-V239 HydrophobicContact CB-CG2 4.3Å
138N90.8Very high95.9Very high148 Ų14839.4 Ų39.479%0.79120%0.204SC*.THydrogen-bonded Turntrans50.246.6-175.5-170.628.3000114S136 R194S136-N138 PolarHBondContact O-N 2.97Å; N138-R194 VanDerWaalsContact C-NH2 3.3Å; N138-R194 PolarHBondContact O-NH2 3.42Å
139N92.3Very high95.8Very high39 Ų3939.6 Ų39.621%0.20921%0.208CC..  trans-138.3172.9-174.8-152.2-14.3000110.4T135 S136 A137 R143 I144T135-N139 PolarHBondContact O-ND2 2.84Å; S136-N139 WeakPolarHBondContact O-CB 3.49Å; S136-N139 PolarHBondContact O-N 2.89Å; S136-N139 VanDerWaalsContact O-N 3.1Å; A137-N139 VanDerWaalsContact C-N 3.34Å; A137-N139 PolarHBondContact O-N 2.92Å; N139-R143 VanDerWaalsContact OD1-CB 3.29Å; N139-R143 WeakPolarHBondContact OD1-CB 3.17Å; N139-R143 VanDerWaalsContact OD1-CD 3.24Å; N139-R143 WeakPolarHBondContact OD1-CD 3.4Å; N139-R143 VanDerWaalsContact OD1-CG 3.31Å; N139-R143 WeakPolarHBondContact OD1-CG 3.32Å; N139-I144 HydrophobicContact CB-CD1 4.07Å; N139-I144 HydrophobicContact CB-CG1 3.75Å
140N91Very high95.8Very high92 Ų9244 Ų4449%0.49223%0.227SC..  trans-118.9152.517567.878.8000111.3T142 R143 I144N140-T142 VanDerWaalsContact C-N 3.31Å; N140-T142 PolarHBondContact O-N 2.71Å; N140-T142 PolarHBondContact OD1-N 2.87Å; N140-R143 PolarHBondContact O-N 3.44Å; N140-R143 PolarHBondContact OD1-N 3.01Å; N140-I144 VanDerWaalsContact O-CG1 3.28Å; N140-I144 WeakPolarHBondContact O-CG1 3.44Å; N140-I144 PolarHBondContact O-N 3.34Å
141L88.9Confident95.8Very high49 Ų4944 Ų4426%0.25723%0.228SC..Hα-helixtrans-47.7-50.2-174.6-61.6-178.8000112.8F29 R143 I144 T145 I309F29-L141 HydrophobicContact CD1-CD2 4.43Å; F29-L141 HydrophobicContact CE1-CD2 3.68Å; L141-R143 VanDerWaalsContact C-N 3.32Å; L141-R143 PolarHBondContact O-N 2.85Å; L141-I144 PolarHBondContact O-N 2.92Å; L141-T145 PolarHBondContact O-N 3.03Å; L141-T145 PolarHBondContact O-OG1 2.95Å; L141-I309 HydrophobicContact CD1-CD1 3.97Å; L141-I309 HydrophobicContact CD1-CG2 4.14Å
142T92Very high95.8Very high94 Ų9444 Ų4458%0.57723%0.228SC*.Hα-helixtrans-58.4-42.2-179.6-53.20000112.5N140 K146N140-T142 VanDerWaalsContact C-N 3.31Å; N140-T142 PolarHBondContact O-N 2.71Å; N140-T142 PolarHBondContact OD1-N 2.87Å; T142-K146 VanDerWaalsContact O-CG 3.31Å; T142-K146 WeakPolarHBondContact O-CG 3.34Å; T142-K146 PolarHBondContact O-N 3.35Å
143R95.5Very high95.7Very high116 Ų11646 Ų4644%0.43824%0.241SC..Hα-helixtrans-74.1-37.3178.7179.9173.2-177.9108.74.9111.7N139 N140 L141 K146 L147 G190N139-R143 VanDerWaalsContact OD1-CB 3.29Å; N139-R143 WeakPolarHBondContact OD1-CB 3.17Å; N139-R143 VanDerWaalsContact OD1-CD 3.24Å; N139-R143 WeakPolarHBondContact OD1-CD 3.4Å; N139-R143 VanDerWaalsContact OD1-CG 3.31Å; N139-R143 WeakPolarHBondContact OD1-CG 3.32Å; N140-R143 PolarHBondContact O-N 3.44Å; N140-R143 PolarHBondContact OD1-N 3.01Å; L141-R143 VanDerWaalsContact C-N 3.32Å; L141-R143 PolarHBondContact O-N 2.85Å; R143-K146 PolarHBondContact O-N 3.14Å; R143-L147 HydrophobicContact CG-CD1 4.07Å; R143-L147 HydrophobicContact CG-CG 4.36Å; R143-L147 WeakPolarHBondContact O-CG 3.26Å; R143-L147 PolarHBondContact O-N 3.01Å; R143-G190 PolarHBondContact NH2-O 3.16Å
144I96.3Very high95.7Very high6 Ų649.2 Ų49.23%0.03126%0.257CS..Hα-helixtrans-60.1-53.6177.5-62.8160.8000110F29 T135 N139 N140 L141 K146 L147 L148F29-I144 HydrophobicContact CB-CG2 4.18Å; F29-I144 HydrophobicContact CD1-CB 4.03Å; F29-I144 HydrophobicContact CD1-CG2 3.48Å; F29-I144 VanDerWaalsContact CD1-CG2 3.48Å; F29-I144 HydrophobicContact CD2-CG2 4.1Å; F29-I144 HydrophobicContact CE1-CB 4.27Å; F29-I144 HydrophobicContact CE1-CD1 3.98Å; F29-I144 HydrophobicContact CE1-CG2 3.79Å; F29-I144 HydrophobicContact CE2-CG2 4.38Å; F29-I144 HydrophobicContact CG-CG2 3.64Å; F29-I144 HydrophobicContact CZ-CD1 4.47Å; F29-I144 HydrophobicContact CZ-CG2 4.24Å; T135-I144 HydrophobicContact CG2-CG2 4.27Å; N139-I144 HydrophobicContact CB-CD1 4.07Å; N139-I144 HydrophobicContact CB-CG1 3.75Å; N140-I144 VanDerWaalsContact O-CG1 3.28Å; N140-I144 WeakPolarHBondContact O-CG1 3.44Å; N140-I144 PolarHBondContact O-N 3.34Å; L141-I144 PolarHBondContact O-N 2.92Å; I144-K146 VanDerWaalsContact C-N 3.32Å; I144-K146 PolarHBondContact O-N 3.33Å; I144-L147 PolarHBondContact O-N 3.42Å; I144-L147 VanDerWaalsContact O-N 3.14Å; I144-L148 HydrophobicContact CG2-CD1 3.68Å; I144-L148 HydrophobicContact CG2-CG 4.37Å; I144-L148 WeakPolarHBondContact O-CG 3.45Å; I144-L148 PolarHBondContact O-N 3.33Å
145T95.7Very high95.7Very high47 Ų4751.3 Ų51.329%0.28827%0.265SS..Hα-helixtrans-54.8-47.6177.5-65.90000111.4F29 L141 L147 L148 C149F29-T145 VanDerWaalsContact O-CG2 3.31Å; F29-T145 WeakPolarHBondContact O-CG2 3.46Å; F29-T145 PolarHBondContact O-OG1 3.08Å; L141-T145 PolarHBondContact O-N 3.03Å; L141-T145 PolarHBondContact O-OG1 2.95Å; T145-L147 PolarHBondContact O-N 3.01Å; T145-L148 PolarHBondContact O-N 2.81Å; T145-C149 WeakPolarHBondContact O-CB 3.49Å; T145-C149 PolarHBondContact O-N 3.34Å; T145-C149 PolarHBondContact O-SG 3.19Å
146K96.6Very high95.7Very high145 Ų14552 Ų5263%0.6327%0.271SS*.Hα-helixtrans-58.5-44.6177.6-75.7179.1178.7-170.40113.1T142 R143 I144 K150T142-K146 VanDerWaalsContact O-CG 3.31Å; T142-K146 WeakPolarHBondContact O-CG 3.34Å; T142-K146 PolarHBondContact O-N 3.35Å; R143-K146 PolarHBondContact O-N 3.14Å; I144-K146 VanDerWaalsContact C-N 3.32Å; I144-K146 PolarHBondContact O-N 3.33Å; K146-K150 VanDerWaalsContact O-CB 3.31Å; K146-K150 WeakPolarHBondContact O-CB 3.35Å; K146-K150 PolarHBondContact O-N 3.43Å
147L98.3Very high95.8Very high10 Ų1056.7 Ų56.75%0.05230%0.295CS..Hα-helixtrans-65.5-43.3179.3-72.5173.4000111.7T135 R143 I144 T145 K150 L151 I189 F191T135-L147 HydrophobicContact CG2-CB 4.12Å; T135-L147 HydrophobicContact CG2-CD1 4.11Å; R143-L147 HydrophobicContact CG-CD1 4.07Å; R143-L147 HydrophobicContact CG-CG 4.36Å; R143-L147 WeakPolarHBondContact O-CG 3.26Å; R143-L147 PolarHBondContact O-N 3.01Å; I144-L147 PolarHBondContact O-N 3.42Å; I144-L147 VanDerWaalsContact O-N 3.14Å; T145-L147 PolarHBondContact O-N 3.01Å; L147-K150 PolarHBondContact O-N 3.47Å; L147-L151 WeakPolarHBondContact O-CB 3.18Å; L147-L151 PolarHBondContact O-N 2.92Å; L147-I189 WeakPolarHBondContact CD2-O 3.15Å; L147-F191 HydrophobicContact CB-CE1 4.08Å; L147-F191 HydrophobicContact CB-CE2 4.18Å; L147-F191 HydrophobicContact CB-CZ 3.82Å; L147-F191 HydrophobicContact CD1-CD1 4.49Å; L147-F191 HydrophobicContact CD2-CD2 4.16Å; L147-F191 HydrophobicContact CD2-CE2 4.25Å; L147-F191 HydrophobicContact CD2-CG 4.45Å; L147-F191 WeakPolarHBondContact O-CZ 3.47Å
148L98.3Very high95.9Very high0 Ų058 Ų580%030%0.301CS..Hα-helixtrans-69.8-40.7179.9-67.6170.7000112F29 R30 T135 I144 T145 K150 L151 C152 F171F29-L148 HydrophobicContact CB-CD1 3.53Å; F29-L148 HydrophobicContact CD2-CD1 4.04Å; F29-L148 HydrophobicContact CG-CD1 3.98Å; R30-L148 HydrophobicContact CG-CB 4.24Å; T135-L148 HydrophobicContact CG2-CD2 4.27Å; T135-L148 HydrophobicContact CG2-CG 4.25Å; I144-L148 HydrophobicContact CG2-CD1 3.68Å; I144-L148 HydrophobicContact CG2-CG 4.37Å; I144-L148 WeakPolarHBondContact O-CG 3.45Å; I144-L148 PolarHBondContact O-N 3.33Å; T145-L148 PolarHBondContact O-N 2.81Å; L148-K150 VanDerWaalsContact C-N 3.3Å; L148-K150 PolarHBondContact O-N 3.23Å; L148-L151 HydrophobicContact CD2-CD2 4.32Å; L148-L151 PolarHBondContact O-N 3.37Å; L148-C152 PolarHBondContact O-N 2.86Å; L148-C152 PolarHBondContact O-SG 3.08Å; L148-F171 HydrophobicContact CD2-CE2 4.24Å
149C96.5Very high96.2Very high34 Ų3452.4 Ų52.423%0.2327%0.271CS..Hα-helixtrans-59-44.5171.6-66.80000110.8T145 C152 S153T145-C149 WeakPolarHBondContact O-CB 3.49Å; T145-C149 PolarHBondContact O-N 3.34Å; T145-C149 PolarHBondContact O-SG 3.19Å; C149-C152 PolarHBondContact O-N 3.49Å; C149-S153 WeakPolarHBondContact O-CB 3.5Å; C149-S153 PolarHBondContact O-N 2.69Å; C149-S153 PolarHBondContact O-OG 3.38Å
150K97.9Very high96.4Very high92 Ų9256.8 Ų56.840%0.429%0.286SS..Hα-helixtrans-63.7-46.3179.3-172.257.41721520112K146 L147 L148 C152 S153 E154 I189K146-K150 VanDerWaalsContact O-CB 3.31Å; K146-K150 WeakPolarHBondContact O-CB 3.35Å; K146-K150 PolarHBondContact O-N 3.43Å; L147-K150 PolarHBondContact O-N 3.47Å; L148-K150 VanDerWaalsContact C-N 3.3Å; L148-K150 PolarHBondContact O-N 3.23Å; K150-C152 PolarHBondContact O-N 3.16Å; K150-S153 WeakPolarHBondContact CA-OG 3.43Å; K150-S153 PolarHBondContact O-N 3.13Å; K150-S153 PolarHBondContact O-OG 3.43Å; K150-E154 WeakPolarHBondContact CE-OE1 3.31Å; K150-E154 IonicContact NZ-OE1 2.55Å; K150-E154 PolarHBondContact NZ-OE1 3.18Å; K150-E154 PolarHBondContact O-N 3.23Å; K150-E154 VanDerWaalsContact O-N 3.14Å; K150-I189 HydrophobicContact CG-CB 4Å; K150-I189 HydrophobicContact CG-CD1 4.25Å; K150-I189 HydrophobicContact CG-CG2 4.4Å
151L98.5Very high96.5Very high1 Ų153 Ų531%0.00527%0.265CS..Hα-helixtrans-53.9-51.2173.8174.672.3000111.6L147 L148 S153 E154 Y155 F171 P172 L177 L186 F191L147-L151 WeakPolarHBondContact O-CB 3.18Å; L147-L151 PolarHBondContact O-N 2.92Å; L148-L151 HydrophobicContact CD2-CD2 4.32Å; L148-L151 PolarHBondContact O-N 3.37Å; L151-S153 VanDerWaalsContact C-N 3.34Å; L151-S153 PolarHBondContact O-N 2.95Å; L151-E154 PolarHBondContact O-N 3.32Å; L151-Y155 HydrophobicContact CD1-CD2 3.83Å; L151-Y155 HydrophobicContact CD1-CE2 4.48Å; L151-Y155 WeakPolarHBondContact O-CD2 3.29Å; L151-Y155 PolarHBondContact O-N 3.47Å; L151-F171 HydrophobicContact CD2-CE2 4.05Å; L151-F171 HydrophobicContact CD2-CZ 3.93Å; L151-P172 HydrophobicContact CD1-CG 4.25Å; L151-P172 HydrophobicContact CD2-CG 4.45Å; L151-P172 HydrophobicContact CG-CG 3.94Å; L151-L177 HydrophobicContact CD1-CD2 4.01Å; L151-L186 HydrophobicContact CD1-CD2 3.47Å; L151-L186 VanDerWaalsContact CD1-CD2 3.47Å; L151-F191 HydrophobicContact CB-CE2 4.06Å; L151-F191 HydrophobicContact CB-CZ 3.81Å; L151-F191 HydrophobicContact CD1-CZ 4.47Å; L151-F191 HydrophobicContact CD2-CZ 4.19Å; L151-F191 HydrophobicContact CG-CZ 4.39Å
152C98.3Very high96.4Very high1 Ų154.5 Ų54.51%0.00727%0.271CS..Hα-helixtrans-69.6-34.7-176.7-57.50000111.8R30 L148 C149 K150 E154 G156 W169R30-C152 VanDerWaalsContact CD-SG 3.52Å; R30-C152 PolarHBondContact NH1-SG 3.19Å; L148-C152 PolarHBondContact O-N 2.86Å; L148-C152 PolarHBondContact O-SG 3.08Å; C149-C152 PolarHBondContact O-N 3.49Å; K150-C152 PolarHBondContact O-N 3.16Å; C152-E154 VanDerWaalsContact C-N 3.28Å; C152-E154 PolarHBondContact O-N 2.97Å; C152-G156 WeakPolarHBondContact O-CA 3.41Å; C152-G156 PolarHBondContact O-N 2.86Å; C152-W169 HydrophobicContact CB-CB 3.92Å; C152-W169 WeakPolarHBondContact O-CB 3.31Å
153S97.6Very high96.3Very high43 Ų4354.9 Ų54.930%0.30127%0.27SS..Hα-helixtrans-67.5-25.8176.368.80000114.2C149 K150 L151C149-S153 WeakPolarHBondContact O-CB 3.5Å; C149-S153 PolarHBondContact O-N 2.69Å; C149-S153 PolarHBondContact O-OG 3.38Å; K150-S153 WeakPolarHBondContact CA-OG 3.43Å; K150-S153 PolarHBondContact O-N 3.13Å; K150-S153 PolarHBondContact O-OG 3.43Å; L151-S153 VanDerWaalsContact C-N 3.34Å; L151-S153 PolarHBondContact O-N 2.95Å
154E98.1Very high96.1Very high74 Ų7451.7 Ų51.735%0.34627%0.273SS..Hα-helixtrans-94.9-31.3179.5-73.6-169.3-176.800113.8K150 L151 C152 I189K150-E154 WeakPolarHBondContact CE-OE1 3.31Å; K150-E154 IonicContact NZ-OE1 2.55Å; K150-E154 PolarHBondContact NZ-OE1 3.18Å; K150-E154 PolarHBondContact O-N 3.23Å; K150-E154 VanDerWaalsContact O-N 3.14Å; L151-E154 PolarHBondContact O-N 3.32Å; C152-E154 VanDerWaalsContact C-N 3.28Å; C152-E154 PolarHBondContact O-N 2.97Å; E154-I189 WeakPolarHBondContact OE1-CG2 3.35Å; E154-I189 WeakPolarHBondContact OE2-CG2 3.43Å
155Y98.2Very high95.9Very high46 Ų4655.8 Ų55.818%0.1830%0.295CS..Hα-helixtrans-126.9-0.7-169-57-75.3000113.7L151 P172 I176 M182 N185 L186 I189L151-Y155 HydrophobicContact CD1-CD2 3.83Å; L151-Y155 HydrophobicContact CD1-CE2 4.48Å; L151-Y155 WeakPolarHBondContact O-CD2 3.29Å; L151-Y155 PolarHBondContact O-N 3.47Å; Y155-P172 WeakPolarHBondContact O-CB 3.29Å; Y155-I176 HydrophobicContact CD1-CG2 4.21Å; Y155-I176 HydrophobicContact CG-CG2 4.39Å; Y155-M182 HydrophobicContact CD1-CE 3.6Å; Y155-M182 HydrophobicContact CD1-SD 4.3Å; Y155-M182 HydrophobicContact CE1-CE 3.63Å; Y155-M182 HydrophobicContact CE1-SD 4.03Å; Y155-M182 HydrophobicContact CE2-SD 4.46Å; Y155-M182 HydrophobicContact CG-CE 4.29Å; Y155-N185 WeakPolarHBondContact OH-CB 3.5Å; Y155-L186 HydrophobicContact CE2-CD2 4.4Å; Y155-I189 HydrophobicContact CE2-CD1 4.11Å
156G97.8Very high95.9Very high13 Ų1357.5 Ų57.513%0.13430%0.302CS..SBendtrans-101163.9174.200000112C152 T170C152-G156 WeakPolarHBondContact O-CA 3.41Å; C152-G156 PolarHBondContact O-N 2.86Å; G156-T170 WeakPolarHBondContact CA-O 3.11Å
157N98Very high95.7Very high111 Ų11151.1 Ų51.159%0.59428%0.277SS*.PPolyproline II helixtrans-85.2138.3174.6-62.7-50.5000110W169 T170N157-W169 CarbonylContact O-C 3.42Å; N157-W169 VanDerWaalsContact O-CA 3.24Å; N157-W169 WeakPolarHBondContact O-CA 3.45Å; N157-T170 HydrophobicContact CB-CG2 4.11Å; N157-T170 PolarHBondContact N-OG1 2.9Å; N157-T170 PolarHBondContact O-N 2.83Å
158P97.9Very high95.6Very high56 Ų5650.9 Ų50.936%0.36428%0.276SS..EExtended strand (participates in β ladder)trans-65.4141.2176.928.4-34.6000111.3Y160 L166P158-Y160 HydrophobicContact CB-CE2 3.76Å; P158-Y160 HydrophobicContact CG-CE2 3.8Å; P158-Y160 WeakPolarHBondContact CG-OH 3.4Å; P158-L166 HydrophobicContact CB-CD1 3.57Å
159L96.9Very high95.6Very high32 Ų3254.4 Ų54.417%0.16829%0.289CS..EExtended strand (participates in β ladder)trans-118.6123.4174.4-63.1172.8000108.2V43 L48 G167 H168 T170V43-L159 HydrophobicContact CG1-CD1 4.1Å; V43-L159 HydrophobicContact CG2-CD1 3.55Å; L48-L159 HydrophobicContact CB-CB 4.23Å; L48-L159 HydrophobicContact CB-CD1 4.32Å; L48-L159 HydrophobicContact CD2-CB 4.25Å; L159-G167 PolarHBondContact O-N 2.89Å; L159-H168 HydrophobicContact CB-CB 4.49Å; L159-H168 PolarHBondContact N-O 2.63Å; L159-H168 PolarHBondContact O-N 3.45Å; L159-T170 HydrophobicContact CD1-CG2 4.02Å; L159-T170 HydrophobicContact CD2-CG2 3.92Å; L159-T170 HydrophobicContact CG-CG2 4Å
160Y95.7Very high95.7Very high130 Ų13054 Ų5451%0.5129%0.286SS..EExtended strand (participates in β ladder)trans-103.8151.3-173.2-60.3-85.7000111.3P158 G164 D165 L166P158-Y160 HydrophobicContact CB-CE2 3.76Å; P158-Y160 HydrophobicContact CG-CE2 3.8Å; P158-Y160 WeakPolarHBondContact CG-OH 3.4Å; Y160-G164 WeakPolarHBondContact CD1-O 3.47Å; Y160-D165 CarbonylContact C-O 3.49Å; Y160-D165 WeakPolarHBondContact CA-O 3.28Å; Y160-L166 HydrophobicContact CD1-CB 4.48Å; Y160-L166 HydrophobicContact CD1-CD1 4.42Å; Y160-L166 HydrophobicContact CE1-CB 4.42Å; Y160-L166 HydrophobicContact CE1-CD1 4.17Å
161L92.5Very high95.7Very high12 Ų1251 Ų516%0.06327%0.273CS..  trans-78.5164.4167.9-58.6174.2000109.9L37 L48 R50 N163 G164 D165L37-L161 HydrophobicContact CD1-CD1 4.47Å; L48-L161 HydrophobicContact CD2-CD2 3.75Å; L48-L161 HydrophobicContact CD2-CG 4.48Å; R50-L161 HydrophobicContact CG-CD2 4.08Å; L161-N163 VanDerWaalsContact CB-OD1 3.29Å; L161-N163 WeakPolarHBondContact CB-OD1 3.47Å; L161-N163 PolarHBondContact O-N 2.89Å; L161-G164 PolarHBondContact O-N 3.42Å; L161-D165 HydrophobicContact CD1-CB 4.19Å; L161-D165 PolarHBondContact N-O 3.36Å
162E88.2Confident95.6Very high82 Ų8251 Ų5138%0.38327%0.273SS..THydrogen-bonded Turntrans-54.2-29177.2-68.8-168.8154.600113.9Y63 E65 K66 G164Y63-E162 PolarHBondContact OH-OE2 2.73Å; E65-E162 WeakPolarHBondContact CA-OE1 3.47Å; E65-E162 HydrophobicContact CB-CG 4.23Å; E65-E162 WeakPolarHBondContact CB-OE1 3.35Å; E65-E162 HydrophobicContact CG-CG 3.7Å; E65-E162 WeakPolarHBondContact CG-OE1 3.42Å; K66-E162 PolarHBondContact N-OE1 2.99Å; E162-G164 PolarHBondContact O-N 3.32Å
163N89.3Confident95.6Very high102 Ų10252.9 Ų52.955%0.54529%0.286SS..THydrogen-bonded Turntrans-81.2-017970.7-11.7000113.6L161 D165L161-N163 VanDerWaalsContact CB-OD1 3.29Å; L161-N163 WeakPolarHBondContact CB-OD1 3.47Å; L161-N163 PolarHBondContact O-N 2.89Å; N163-D165 VanDerWaalsContact C-N 3.33Å; N163-D165 PolarHBondContact ND2-OD2 3.47Å; N163-D165 VanDerWaalsContact OD1-CB 3.29Å; N163-D165 WeakPolarHBondContact OD1-CB 3.27Å; N163-D165 PolarHBondContact OD1-N 3.22Å
164G92.1Very high95.6Very high48 Ų4851 Ų5150%0.49527%0.273SS..SBendtrans86.9-4.3-178.100000114.6Y160 L161 E162Y160-G164 WeakPolarHBondContact CD1-O 3.47Å; L161-G164 PolarHBondContact O-N 3.42Å; E162-G164 PolarHBondContact O-N 3.32Å
165D92.6Very high95.6Very high93 Ų9352.7 Ų52.750%0.49728%0.281SS..  trans-70.6146.2176.3-68.5-24.1000110.8Y160 L161 N163 G167Y160-D165 CarbonylContact C-O 3.49Å; Y160-D165 WeakPolarHBondContact CA-O 3.28Å; L161-D165 HydrophobicContact CD1-CB 4.19Å; L161-D165 PolarHBondContact N-O 3.36Å; N163-D165 VanDerWaalsContact C-N 3.33Å; N163-D165 PolarHBondContact ND2-OD2 3.47Å; N163-D165 VanDerWaalsContact OD1-CB 3.29Å; N163-D165 WeakPolarHBondContact OD1-CB 3.27Å; N163-D165 PolarHBondContact OD1-N 3.22Å; D165-G167 PolarHBondContact O-N 2.96Å
166L93.8Very high95.6Very high82 Ų8252.6 Ų52.643%0.42928%0.283SS..EExtended strand (participates in β ladder)trans-67.9115.3173.4-177.863.1000109.7P158 Y160 H168 W169P158-L166 HydrophobicContact CB-CD1 3.57Å; Y160-L166 HydrophobicContact CD1-CB 4.48Å; Y160-L166 HydrophobicContact CD1-CD1 4.42Å; Y160-L166 HydrophobicContact CE1-CB 4.42Å; Y160-L166 HydrophobicContact CE1-CD1 4.17Å; L166-H168 WeakPolarHBondContact CD1-O 3.34Å; L166-W169 HydrophobicContact CD2-CH2 3.93Å; L166-W169 HydrophobicContact CD2-CZ2 3.35Å; L166-W169 HydrophobicContact CG-CZ2 4.24Å
167G92.6Very high95.7Very high12 Ų1252 Ų5212%0.12428%0.276CS..EExtended strand (participates in β ladder)trans-93.2-46177.700000112.6L159 D165L159-G167 PolarHBondContact O-N 2.89Å; D165-G167 PolarHBondContact O-N 2.96Å
168H96.9Very high95.7Very high4 Ų447.5 Ų47.52%0.01926%0.255CS..EExtended strand (participates in β ladder)trans-159.4-172.5-177-149.9-87.3000112.5R30 V43 L48 L159 L166R30-H168 PolarHBondContact NH1-CE1 3.28Å; R30-H168 PolarHBondContact O-NE2 2.75Å; V43-H168 HydrophobicContact CG2-CB 3.95Å; V43-H168 VanDerWaalsContact CG2-ND1 3.32Å; V43-H168 WeakPolarHBondContact CG2-ND1 3.28Å; L48-H168 HydrophobicContact CD1-CB 3.77Å; L159-H168 HydrophobicContact CB-CB 4.49Å; L159-H168 PolarHBondContact N-O 2.63Å; L159-H168 PolarHBondContact O-N 3.45Å; L166-H168 WeakPolarHBondContact CD1-O 3.34Å
169W98.3Very high95.7Very high74 Ų7449.5 Ų49.528%0.2826%0.259SS..EExtended strand (participates in β ladder)trans-127.2149.3168.4-58.9-98.4000111.5R30 C152 N157 L166R30-W169 PolarHBondContact NH1-O 2.89Å; C152-W169 HydrophobicContact CB-CB 3.92Å; C152-W169 WeakPolarHBondContact O-CB 3.31Å; N157-W169 CarbonylContact O-C 3.42Å; N157-W169 VanDerWaalsContact O-CA 3.24Å; N157-W169 WeakPolarHBondContact O-CA 3.45Å; L166-W169 HydrophobicContact CD2-CH2 3.93Å; L166-W169 HydrophobicContact CD2-CZ2 3.35Å; L166-W169 HydrophobicContact CG-CZ2 4.24Å
170T98Very high95.7Very high27 Ų2754.4 Ų54.417%0.16629%0.293CS..PPolyproline II helixtrans-62.6160.4167.368.90000110.5G156 N157 L159G156-T170 WeakPolarHBondContact CA-O 3.11Å; N157-T170 HydrophobicContact CB-CG2 4.11Å; N157-T170 PolarHBondContact N-OG1 2.9Å; N157-T170 PolarHBondContact O-N 2.83Å; L159-T170 HydrophobicContact CD1-CG2 4.02Å; L159-T170 HydrophobicContact CD2-CG2 3.92Å; L159-T170 HydrophobicContact CG-CG2 4Å
171F98Very high95.8Very high28 Ų2850.2 Ų50.212%0.12329%0.289CS..PPolyproline II helixtrans-72.6143.4165.2-159.6-99.4000109.1E128 F131 L148 L151 L177E128-F171 HydrophobicContact CB-CD1 4.37Å; E128-F171 HydrophobicContact CB-CD2 4.31Å; E128-F171 HydrophobicContact CB-CG 4.14Å; E128-F171 HydrophobicContact CG-CB 4.43Å; E128-F171 HydrophobicContact CG-CD2 3.63Å; E128-F171 HydrophobicContact CG-CE2 4Å; E128-F171 HydrophobicContact CG-CG 3.96Å; F131-F171 HydrophobicContact CB-CE1 3.94Å; F131-F171 HydrophobicContact CB-CZ 3.58Å; F131-F171 AromaticContact CD2-CE1 3.85Å; F131-F171 HydrophobicContact CD2-CE1 3.85Å; F131-F171 HydrophobicContact CD2-CZ 4.38Å; F131-F171 HydrophobicContact CG-CE1 4.17Å; F131-F171 HydrophobicContact CG-CZ 4.28Å; L148-F171 HydrophobicContact CD2-CE2 4.24Å; L151-F171 HydrophobicContact CD2-CE2 4.05Å; L151-F171 HydrophobicContact CD2-CZ 3.93Å; F171-L177 HydrophobicContact CE1-CD1 4.01Å
172P97.8Very high96.1Very high1 Ų149.8 Ų49.81%0.00629%0.287CS..PPolyproline II helixtrans-65143.3176-19.832.8000111.4L151 Y155 I176 L177L151-P172 HydrophobicContact CD1-CG 4.25Å; L151-P172 HydrophobicContact CD2-CG 4.45Å; L151-P172 HydrophobicContact CG-CG 3.94Å; Y155-P172 WeakPolarHBondContact O-CB 3.29Å; P172-I176 HydrophobicContact CB-CB 4.3Å; P172-I176 HydrophobicContact CB-CG2 4.06Å; P172-L177 HydrophobicContact CB-CD2 4.01Å; P172-L177 HydrophobicContact CB-CG 4.18Å; P172-L177 HydrophobicContact CG-CD2 4.41Å
173S97.4Very high96.6Very high40 Ų4048.8 Ų48.828%0.2828%0.282SS..PPolyproline II helixtrans-71.6163.9178.683.90000112.4E175 I176 L177S173-E175 VanDerWaalsContact CB-OE2 3.26Å; S173-E175 WeakPolarHBondContact CB-OE2 3.31Å; S173-E175 PolarHBondContact O-N 2.75Å; S173-E175 PolarHBondContact OG-N 3.47Å; S173-E175 PolarHBondContact OG-OE2 3.25Å; S173-I176 PolarHBondContact O-N 3.08Å; S173-I176 VanDerWaalsContact O-N 3.12Å; S173-I176 PolarHBondContact OG-N 3.41Å; S173-L177 WeakPolarHBondContact O-CG 3.44Å; S173-L177 PolarHBondContact O-N 3.38Å
174L98.3Very high97Very high5 Ų547.6 Ų47.63%0.02628%0.276CS..Hα-helixtrans-55-40.8174.4-66-179.9000112.5E127 F131 I176 L177 A178 A202 L205 L206E127-L174 HydrophobicContact CG-CD2 3.98Å; E127-L174 HydrophobicContact CG-CG 4.3Å; E127-L174 WeakPolarHBondContact OE2-CG 3.34Å; F131-L174 HydrophobicContact CE2-CD2 3.44Å; F131-L174 VanDerWaalsContact CE2-CD2 3.44Å; F131-L174 HydrophobicContact CZ-CD2 3.56Å; L174-I176 VanDerWaalsContact C-N 3.31Å; L174-I176 PolarHBondContact O-N 3.05Å; L174-L177 PolarHBondContact O-N 2.55Å; L174-A178 WeakPolarHBondContact O-CB 3.24Å; L174-A178 PolarHBondContact O-N 2.64Å; L174-A202 HydrophobicContact CD2-CB 4.48Å; L174-L205 HydrophobicContact CD1-CB 4.01Å; L174-L205 HydrophobicContact CD2-CB 4.29Å; L174-L205 HydrophobicContact CD2-CD1 3.91Å; L174-L206 HydrophobicContact CB-CD1 4.45Å; L174-L206 HydrophobicContact CB-CD2 3.73Å; L174-L206 HydrophobicContact CB-CG 3.98Å; L174-L206 HydrophobicContact CD1-CD2 4.22Å
175E98.3Very high97.3Very high109 Ų10948 Ų4851%0.50927%0.267SS..Hα-helixtrans-61.4-43.1179-61.670-150.800110.6S173 A178 Q179 L206S173-E175 VanDerWaalsContact CB-OE2 3.26Å; S173-E175 WeakPolarHBondContact CB-OE2 3.31Å; S173-E175 PolarHBondContact O-N 2.75Å; S173-E175 PolarHBondContact OG-N 3.47Å; S173-E175 PolarHBondContact OG-OE2 3.25Å; E175-A178 PolarHBondContact O-N 3.23Å; E175-Q179 VanDerWaalsContact O-CG 3.23Å; E175-Q179 WeakPolarHBondContact O-CG 3.1Å; E175-Q179 PolarHBondContact O-N 2.94Å; E175-L206 HydrophobicContact CG-CD2 4.41Å; E175-L206 WeakPolarHBondContact OE1-CD2 3.17Å
176I98.3Very high97.6Very high43 Ų4343.5 Ų43.522%0.22124%0.243CC..Hα-helixtrans-63.5-49176.1-64.2173.9000110.2Y155 P172 S173 L174 A178 Q179 M182Y155-I176 HydrophobicContact CD1-CG2 4.21Å; Y155-I176 HydrophobicContact CG-CG2 4.39Å; P172-I176 HydrophobicContact CB-CB 4.3Å; P172-I176 HydrophobicContact CB-CG2 4.06Å; S173-I176 PolarHBondContact O-N 3.08Å; S173-I176 VanDerWaalsContact O-N 3.12Å; S173-I176 PolarHBondContact OG-N 3.41Å; L174-I176 VanDerWaalsContact C-N 3.31Å; L174-I176 PolarHBondContact O-N 3.05Å; I176-A178 PolarHBondContact O-N 2.89Å; I176-Q179 WeakPolarHBondContact O-CG 3.28Å; I176-Q179 PolarHBondContact O-N 2.74Å; I176-M182 HydrophobicContact CG2-CE 3.95Å; I176-M182 WeakPolarHBondContact O-CE 3.34Å
177L98.5Very high97.8Very high0 Ų044.1 Ų44.10%024%0.242CC..Hα-helixtrans-65.4-20.5179.7-64.2178.8000113.2F131 L151 F171 P172 S173 L174 M182 I198 T199 A202F131-L177 HydrophobicContact CD1-CD1 3.99Å; F131-L177 HydrophobicContact CD2-CD1 3.87Å; F131-L177 HydrophobicContact CE1-CD1 3.92Å; F131-L177 HydrophobicContact CE2-CD1 3.82Å; F131-L177 HydrophobicContact CG-CD1 3.97Å; F131-L177 HydrophobicContact CZ-CD1 3.84Å; L151-L177 HydrophobicContact CD1-CD2 4.01Å; F171-L177 HydrophobicContact CE1-CD1 4.01Å; P172-L177 HydrophobicContact CB-CD2 4.01Å; P172-L177 HydrophobicContact CB-CG 4.18Å; P172-L177 HydrophobicContact CG-CD2 4.41Å; S173-L177 WeakPolarHBondContact O-CG 3.44Å; S173-L177 PolarHBondContact O-N 3.38Å; L174-L177 PolarHBondContact O-N 2.55Å; L177-M182 WeakPolarHBondContact O-CG 3.41Å; L177-I198 HydrophobicContact CB-CG2 4.45Å; L177-I198 HydrophobicContact CD1-CG2 4.37Å; L177-I198 HydrophobicContact CD2-CG2 4Å; L177-T199 WeakPolarHBondContact O-CG2 3.46Å; L177-A202 HydrophobicContact CB-CB 3.58Å
178A98.2Very high98.1Very high17 Ų1751.4 Ų51.414%0.1427%0.27CS..THydrogen-bonded Turntrans-93.1-6179.100000114.5L174 E175 I176 A202 N203 L206L174-A178 WeakPolarHBondContact O-CB 3.24Å; L174-A178 PolarHBondContact O-N 2.64Å; E175-A178 PolarHBondContact O-N 3.23Å; I176-A178 PolarHBondContact O-N 2.89Å; A178-A202 HydrophobicContact CB-CB 4.1Å; A178-N203 PolarHBondContact O-ND2 2.82Å; A178-L206 HydrophobicContact CB-CD1 3.54Å
179Q98Very high98.1Very high99 Ų9952.7 Ų52.746%0.46328%0.277SS..SBendtrans-59.4147.5-174.9-66.5178.4-0.300113.2E175 I176 G181 M182E175-Q179 VanDerWaalsContact O-CG 3.23Å; E175-Q179 WeakPolarHBondContact O-CG 3.1Å; E175-Q179 PolarHBondContact O-N 2.94Å; I176-Q179 WeakPolarHBondContact O-CG 3.28Å; I176-Q179 PolarHBondContact O-N 2.74Å; Q179-G181 PolarHBondContact O-N 2.99Å; Q179-M182 WeakPolarHBondContact O-CB 3.24Å; Q179-M182 PolarHBondContact O-N 2.88Å; Q179-M182 VanDerWaalsContact O-N 3.11Å
180P97.6Very high98Very high135 Ų13550.3 Ų50.388%0.87728%0.275SS*.THydrogen-bonded Turntrans-53.3136.7169.6-25.134.8000111.9M182P180-M182 PolarHBondContact O-N 2.71Å
181G97.7Very high98Very high42 Ų4249 Ų4943%0.43327%0.267SS..THydrogen-bonded Turntrans79.9-9.7-178.300000115.4Q179 Q183 D184 N185Q179-G181 PolarHBondContact O-N 2.99Å; G181-Q183 PolarHBondContact O-N 2.67Å; G181-D184 PolarHBondContact O-N 3.02Å; G181-D184 VanDerWaalsContact O-N 3.08Å; G181-N185 PolarHBondContact O-N 2.81Å; G181-N185 VanDerWaalsContact O-N 3.1Å
182M98.4Very high98Very high2 Ų249.5 Ų49.51%0.0128%0.28CS..Hα-helixtrans-56-38.6-180-175.25268.800112.2Y155 I176 L177 Q179 P180 D184 N185 L186 T199Y155-M182 HydrophobicContact CD1-CE 3.6Å; Y155-M182 HydrophobicContact CD1-SD 4.3Å; Y155-M182 HydrophobicContact CE1-CE 3.63Å; Y155-M182 HydrophobicContact CE1-SD 4.03Å; Y155-M182 HydrophobicContact CE2-SD 4.46Å; Y155-M182 HydrophobicContact CG-CE 4.29Å; I176-M182 HydrophobicContact CG2-CE 3.95Å; I176-M182 WeakPolarHBondContact O-CE 3.34Å; L177-M182 WeakPolarHBondContact O-CG 3.41Å; Q179-M182 WeakPolarHBondContact O-CB 3.24Å; Q179-M182 PolarHBondContact O-N 2.88Å; Q179-M182 VanDerWaalsContact O-N 3.11Å; P180-M182 PolarHBondContact O-N 2.71Å; M182-D184 VanDerWaalsContact C-N 3.32Å; M182-D184 PolarHBondContact O-N 3.05Å; M182-N185 PolarHBondContact O-N 3.36Å; M182-L186 HydrophobicContact CG-CD1 4.11Å; M182-L186 HydrophobicContact CG-CG 4.16Å; M182-L186 WeakPolarHBondContact O-CB 3.31Å; M182-L186 VanDerWaalsContact O-CG 3.28Å; M182-L186 WeakPolarHBondContact O-CG 3.21Å; M182-L186 PolarHBondContact O-N 2.96Å; M182-L186 HydrophobicContact SD-CD1 4.41Å; M182-L186 HydrophobicContact SD-CD2 4.09Å; M182-L186 HydrophobicContact SD-CG 3.92Å; M182-T199 HydrophobicContact CB-CG2 3.73Å; M182-T199 HydrophobicContact CG-CG2 3.75Å
183Q98.4Very high97.9Very high61 Ų6154.9 Ų54.929%0.28530%0.301SS..Hα-helixtrans-57.6-46.4178.9-174.4-169.4-93.900111.3G181 L186 K187 S195 K196 T199G181-Q183 PolarHBondContact O-N 2.67Å; Q183-L186 PolarHBondContact O-N 3.47Å; Q183-K187 WeakPolarHBondContact O-CG 3.4Å; Q183-K187 PolarHBondContact O-N 2.98Å; Q183-S195 VanDerWaalsContact O-CB 3.29Å; Q183-S195 WeakPolarHBondContact O-CB 3.25Å; Q183-K196 HydrophobicContact CG-CB 4.49Å; Q183-T199 HydrophobicContact CB-CG2 3.95Å
184D98.5Very high97.9Very high77 Ų7753.7 Ų53.741%0.41229%0.291SS..Hα-helixtrans-74.8-32.1-176.7-63.1-33.7000111.5G181 M182 K187 K188G181-D184 PolarHBondContact O-N 3.02Å; G181-D184 VanDerWaalsContact O-N 3.08Å; M182-D184 VanDerWaalsContact C-N 3.32Å; M182-D184 PolarHBondContact O-N 3.05Å; D184-K187 WeakPolarHBondContact O-CB 3.25Å; D184-K187 PolarHBondContact O-N 2.65Å; D184-K187 IonicContact OD1-NZ 2.71Å; D184-K187 PolarHBondContact OD1-NZ 2.75Å; D184-K188 WeakPolarHBondContact O-CG 3.43Å; D184-K188 PolarHBondContact O-N 3.19Å; D184-K188 VanDerWaalsContact O-N 3.09Å
185N98.4Very high97.9Very high56 Ų5653.4 Ų53.430%0.29929%0.289SS..Hα-helixtrans-62.8-45.3170.5-69.3-12.9000111.9Y155 G181 M182 K187 K188 I189Y155-N185 WeakPolarHBondContact OH-CB 3.5Å; G181-N185 PolarHBondContact O-N 2.81Å; G181-N185 VanDerWaalsContact O-N 3.1Å; M182-N185 PolarHBondContact O-N 3.36Å; N185-K187 VanDerWaalsContact C-N 3.3Å; N185-K187 PolarHBondContact O-N 3.11Å; N185-K188 WeakPolarHBondContact O-CB 3.29Å; N185-K188 PolarHBondContact O-N 2.96Å; N185-K188 VanDerWaalsContact O-N 3.13Å; N185-I189 PolarHBondContact O-N 2.86Å
186L98.5Very high97.9Very high0 Ų053.4 Ų53.40%029%0.288CS..Hα-helixtrans-63.3-34175.1-66.5-177.8000112.5L151 Y155 M182 Q183 I189 G190 F191 I198 T199L151-L186 HydrophobicContact CD1-CD2 3.47Å; L151-L186 VanDerWaalsContact CD1-CD2 3.47Å; Y155-L186 HydrophobicContact CE2-CD2 4.4Å; M182-L186 HydrophobicContact CG-CD1 4.11Å; M182-L186 HydrophobicContact CG-CG 4.16Å; M182-L186 WeakPolarHBondContact O-CB 3.31Å; M182-L186 VanDerWaalsContact O-CG 3.28Å; M182-L186 WeakPolarHBondContact O-CG 3.21Å; M182-L186 PolarHBondContact O-N 2.96Å; M182-L186 HydrophobicContact SD-CD1 4.41Å; M182-L186 HydrophobicContact SD-CD2 4.09Å; M182-L186 HydrophobicContact SD-CG 3.92Å; Q183-L186 PolarHBondContact O-N 3.47Å; L186-I189 HydrophobicContact CD2-CD1 3.95Å; L186-I189 WeakPolarHBondContact O-CG1 3.42Å; L186-I189 PolarHBondContact O-N 3.43Å; L186-G190 PolarHBondContact O-N 3.31Å; L186-F191 HydrophobicContact CB-CB 4.2Å; L186-F191 HydrophobicContact CB-CD2 4.11Å; L186-F191 HydrophobicContact CB-CG 4.3Å; L186-F191 HydrophobicContact CD2-CD2 4.02Å; L186-F191 HydrophobicContact CD2-CE2 4.06Å; L186-F191 WeakPolarHBondContact O-CB 3.45Å; L186-F191 PolarHBondContact O-N 3.35Å; L186-I198 HydrophobicContact CD1-CB 3.84Å; L186-I198 HydrophobicContact CD1-CD1 4.1Å; L186-I198 HydrophobicContact CD1-CG2 3.59Å; L186-T199 HydrophobicContact CD1-CG2 4.31Å
187K98Very high97.9Very high94 Ų9454.5 Ų54.541%0.40929%0.291SS..Hα-helixtrans-62-45.3172.1-72.5176.5-166.9152.60111.5Q183 D184 N185 I189 G190 S195Q183-K187 WeakPolarHBondContact O-CG 3.4Å; Q183-K187 PolarHBondContact O-N 2.98Å; D184-K187 WeakPolarHBondContact O-CB 3.25Å; D184-K187 PolarHBondContact O-N 2.65Å; D184-K187 IonicContact OD1-NZ 2.71Å; D184-K187 PolarHBondContact OD1-NZ 2.75Å; N185-K187 VanDerWaalsContact C-N 3.3Å; N185-K187 PolarHBondContact O-N 3.11Å; K187-I189 PolarHBondContact O-N 3.22Å; K187-G190 PolarHBondContact O-N 3.38Å; K187-S195 WeakPolarHBondContact CG-OG 3.32Å
188K98Very high97.9Very high166 Ų16654.6 Ų54.672%0.72229%0.291SS*.Hα-helixtrans-58.8-34.1-179.9-69.2168.3-171.9168.60112.3D184 N185D184-K188 WeakPolarHBondContact O-CG 3.43Å; D184-K188 PolarHBondContact O-N 3.19Å; D184-K188 VanDerWaalsContact O-N 3.09Å; N185-K188 WeakPolarHBondContact O-CB 3.29Å; N185-K188 PolarHBondContact O-N 2.96Å; N185-K188 VanDerWaalsContact O-N 3.13Å
189I96.7Very high97.9Very high30 Ų3054.3 Ų54.315%0.15429%0.288CS..THydrogen-bonded Turntrans-91.69.4177.171.4179.8000114.3L147 K150 E154 Y155 N185 L186 K187 F191L147-I189 WeakPolarHBondContact CD2-O 3.15Å; K150-I189 HydrophobicContact CG-CB 4Å; K150-I189 HydrophobicContact CG-CD1 4.25Å; K150-I189 HydrophobicContact CG-CG2 4.4Å; E154-I189 WeakPolarHBondContact OE1-CG2 3.35Å; E154-I189 WeakPolarHBondContact OE2-CG2 3.43Å; Y155-I189 HydrophobicContact CE2-CD1 4.11Å; N185-I189 PolarHBondContact O-N 2.86Å; L186-I189 HydrophobicContact CD2-CD1 3.95Å; L186-I189 WeakPolarHBondContact O-CG1 3.42Å; L186-I189 PolarHBondContact O-N 3.43Å; K187-I189 PolarHBondContact O-N 3.22Å; I189-F191 HydrophobicContact CD1-CD2 3.97Å; I189-F191 HydrophobicContact CD1-CE2 3.68Å; I189-F191 HydrophobicContact CG1-CD2 3.68Å; I189-F191 HydrophobicContact CG1-CE2 3.87Å
190G97.4Very high97.9Very high24 Ų2453 Ų5325%0.24728%0.284CS..THydrogen-bonded Turntrans96.313165.600000116.7R143 L186 K187 G192R143-G190 PolarHBondContact NH2-O 3.16Å; L186-G190 PolarHBondContact O-N 3.31Å; K187-G190 PolarHBondContact O-N 3.38Å; G190-G192 PolarHBondContact O-N 2.92Å
191F98Very high98Very high0 Ų046.6 Ų46.60%024%0.242CC..  trans-67-19.6173.8-80.2-94.5000113.1T135 L147 L151 L186 I189 Y193 R194 I198T135-F191 HydrophobicContact CG2-CD1 4.2Å; T135-F191 HydrophobicContact CG2-CE1 3.68Å; L147-F191 HydrophobicContact CB-CE1 4.08Å; L147-F191 HydrophobicContact CB-CE2 4.18Å; L147-F191 HydrophobicContact CB-CZ 3.82Å; L147-F191 HydrophobicContact CD1-CD1 4.49Å; L147-F191 HydrophobicContact CD2-CD2 4.16Å; L147-F191 HydrophobicContact CD2-CE2 4.25Å; L147-F191 HydrophobicContact CD2-CG 4.45Å; L147-F191 WeakPolarHBondContact O-CZ 3.47Å; L151-F191 HydrophobicContact CB-CE2 4.06Å; L151-F191 HydrophobicContact CB-CZ 3.81Å; L151-F191 HydrophobicContact CD1-CZ 4.47Å; L151-F191 HydrophobicContact CD2-CZ 4.19Å; L151-F191 HydrophobicContact CG-CZ 4.39Å; L186-F191 HydrophobicContact CB-CB 4.2Å; L186-F191 HydrophobicContact CB-CD2 4.11Å; L186-F191 HydrophobicContact CB-CG 4.3Å; L186-F191 HydrophobicContact CD2-CD2 4.02Å; L186-F191 HydrophobicContact CD2-CE2 4.06Å; L186-F191 WeakPolarHBondContact O-CB 3.45Å; L186-F191 PolarHBondContact O-N 3.35Å; I189-F191 HydrophobicContact CD1-CD2 3.97Å; I189-F191 HydrophobicContact CD1-CE2 3.68Å; I189-F191 HydrophobicContact CG1-CD2 3.68Å; I189-F191 HydrophobicContact CG1-CE2 3.87Å; F191-Y193 PolarHBondContact O-N 2.98Å; F191-R194 WeakPolarHBondContact O-CB 3.28Å; F191-R194 PolarHBondContact O-N 3.19Å; F191-I198 HydrophobicContact CD1-CD1 3.25Å; F191-I198 HydrophobicContact CE1-CD1 3.38Å; F191-I198 HydrophobicContact CG-CD1 4.11Å; F191-I198 HydrophobicContact CZ-CD1 4.32Å
192G96.7Very high98Very high38 Ų3844.6 Ų44.639%0.39222%0.221SC..THydrogen-bonded Turntrans58.5-134.1179.500000111.2G190 R194 S195G190-G192 PolarHBondContact O-N 2.92Å; G192-R194 PolarHBondContact O-N 3.41Å; G192-R194 VanDerWaalsContact O-N 3.14Å; G192-S195 WeakPolarHBondContact O-CB 3.41Å; G192-S195 PolarHBondContact O-N 2.88Å; G192-S195 PolarHBondContact O-OG 3.4Å
193Y96.6Very high98Very high114 Ų11447.4 Ų47.445%0.44724%0.236SC..THydrogen-bonded Turntrans-61.4-22.4179.772.3-98000113.8A137 F191 S195 K196 F197A137-Y193 PolarHBondContact O-OH 3.32Å; A137-Y193 VanDerWaalsContact O-OH 3.08Å; F191-Y193 PolarHBondContact O-N 2.98Å; Y193-S195 VanDerWaalsContact C-N 3.25Å; Y193-S195 PolarHBondContact O-N 3.12Å; Y193-K196 PolarHBondContact O-N 2.6Å; Y193-F197 HydrophobicContact CD2-CD2 4.04Å; Y193-F197 AromaticContact CD2-CE2 3.75Å; Y193-F197 HydrophobicContact CD2-CE2 3.75Å; Y193-F197 HydrophobicContact CE2-CD2 4.32Å; Y193-F197 HydrophobicContact CE2-CE2 4.08Å
194R97.3Very high98.1Very high15 Ų1546.6 Ų46.66%0.05723%0.231CC..Hα-helixtrans-70.6-22.2-179.7-59.4175.7-167.872.9-2.5112.8T135 A137 N138 F191 G192 K196 F197 I198T135-R194 VanDerWaalsContact O-CD 3.26Å; T135-R194 WeakPolarHBondContact O-CD 3.33Å; T135-R194 PolarHBondContact O-NE 2.65Å; A137-R194 PolarHBondContact O-NE 2.98Å; A137-R194 PolarHBondContact O-NH2 3.26Å; N138-R194 VanDerWaalsContact C-NH2 3.3Å; N138-R194 PolarHBondContact O-NH2 3.42Å; F191-R194 WeakPolarHBondContact O-CB 3.28Å; F191-R194 PolarHBondContact O-N 3.19Å; G192-R194 PolarHBondContact O-N 3.41Å; G192-R194 VanDerWaalsContact O-N 3.14Å; R194-K196 PolarHBondContact O-N 3.28Å; R194-F197 PolarHBondContact O-N 3.05Å; R194-I198 WeakPolarHBondContact O-CG1 3.42Å; R194-I198 PolarHBondContact O-N 3.45Å
195S97.9Very high98.1Very high0 Ų043 Ų430%021%0.211CC..Hα-helixtrans-52.1-41.3173.158.20000112.4Q183 K187 G192 Y193 T199Q183-S195 VanDerWaalsContact O-CB 3.29Å; Q183-S195 WeakPolarHBondContact O-CB 3.25Å; K187-S195 WeakPolarHBondContact CG-OG 3.32Å; G192-S195 WeakPolarHBondContact O-CB 3.41Å; G192-S195 PolarHBondContact O-N 2.88Å; G192-S195 PolarHBondContact O-OG 3.4Å; Y193-S195 VanDerWaalsContact C-N 3.25Å; Y193-S195 PolarHBondContact O-N 3.12Å; S195-T199 PolarHBondContact O-N 2.91Å; S195-T199 PolarHBondContact O-OG1 3.43Å; S195-T199 VanDerWaalsContact O-OG1 3.08Å
196K98.3Very high98.1Very high109 Ų10943.6 Ų43.647%0.47421%0.214SC..Hα-helixtrans-63.2-46.1175.6178.8179.8176.5-1790111.1Q183 Y193 R194 T199 L200Q183-K196 HydrophobicContact CG-CB 4.49Å; Y193-K196 PolarHBondContact O-N 2.6Å; R194-K196 PolarHBondContact O-N 3.28Å; K196-T199 PolarHBondContact O-OG1 2.69Å; K196-L200 HydrophobicContact CD-CD1 4.34Å; K196-L200 HydrophobicContact CG-CD1 3.73Å; K196-L200 HydrophobicContact CG-CG 4.3Å; K196-L200 WeakPolarHBondContact O-CB 3.36Å; K196-L200 VanDerWaalsContact O-CG 3.22Å; K196-L200 WeakPolarHBondContact O-CG 3.26Å; K196-L200 PolarHBondContact O-N 3.1Å
197F98.5Very high98Very high66 Ų6651.9 Ų51.929%0.28925%0.25SS..Hα-helixtrans-70.2-36.9-177.2-64.8-51.4000113.2I134 Y193 R194 L200 A201 P233I134-F197 HydrophobicContact CG2-CB 3.82Å; Y193-F197 HydrophobicContact CD2-CD2 4.04Å; Y193-F197 AromaticContact CD2-CE2 3.75Å; Y193-F197 HydrophobicContact CD2-CE2 3.75Å; Y193-F197 HydrophobicContact CE2-CD2 4.32Å; Y193-F197 HydrophobicContact CE2-CE2 4.08Å; R194-F197 PolarHBondContact O-N 3.05Å; F197-L200 PolarHBondContact O-N 3.22Å; F197-A201 WeakPolarHBondContact O-CB 3.08Å; F197-A201 PolarHBondContact O-N 2.55Å; F197-P233 HydrophobicContact CD1-CB 4.46Å
198I98.6Very high98.1Very high1 Ų150.7 Ų50.71%0.00525%0.248CC..Hα-helixtrans-60-50.3175.5-69.4167.4000110.5F131 I134 L177 L186 F191 R194 A201 A202F131-I198 HydrophobicContact CD1-CB 4.46Å; F131-I198 HydrophobicContact CD1-CG1 4.42Å; F131-I198 HydrophobicContact CD1-CG2 4Å; F131-I198 HydrophobicContact CE1-CG2 4.25Å; F131-I198 WeakPolarHBondContact CE1-O 3.43Å; I134-I198 HydrophobicContact CG2-CG1 4.07Å; L177-I198 HydrophobicContact CB-CG2 4.45Å; L177-I198 HydrophobicContact CD1-CG2 4.37Å; L177-I198 HydrophobicContact CD2-CG2 4Å; L186-I198 HydrophobicContact CD1-CB 3.84Å; L186-I198 HydrophobicContact CD1-CD1 4.1Å; L186-I198 HydrophobicContact CD1-CG2 3.59Å; F191-I198 HydrophobicContact CD1-CD1 3.25Å; F191-I198 HydrophobicContact CE1-CD1 3.38Å; F191-I198 HydrophobicContact CG-CD1 4.11Å; F191-I198 HydrophobicContact CZ-CD1 4.32Å; R194-I198 WeakPolarHBondContact O-CG1 3.42Å; R194-I198 PolarHBondContact O-N 3.45Å; I198-A201 PolarHBondContact O-N 2.8Å; I198-A202 WeakPolarHBondContact O-CB 3.32Å; I198-A202 PolarHBondContact O-N 2.84Å
199T98.4Very high98Very high12 Ų1245.2 Ų45.27%0.07424%0.239CC..Hα-helixtrans-67.2-40.1-179.252.20000113.2L177 M182 Q183 L186 S195 K196 N203L177-T199 WeakPolarHBondContact O-CG2 3.46Å; M182-T199 HydrophobicContact CB-CG2 3.73Å; M182-T199 HydrophobicContact CG-CG2 3.75Å; Q183-T199 HydrophobicContact CB-CG2 3.95Å; L186-T199 HydrophobicContact CD1-CG2 4.31Å; S195-T199 PolarHBondContact O-N 2.91Å; S195-T199 PolarHBondContact O-OG1 3.43Å; S195-T199 VanDerWaalsContact O-OG1 3.08Å; K196-T199 PolarHBondContact O-OG1 2.69Å; T199-N203 WeakPolarHBondContact O-CB 3.45Å; T199-N203 PolarHBondContact O-N 3.2Å; T199-N203 VanDerWaalsContact O-N 3.1Å; T199-N203 PolarHBondContact O-ND2 3.33Å
200L98.6Very high98.1Very high71 Ų7144.2 Ų44.237%0.37224%0.236SC..Hα-helixtrans-67.2-41.2175.9-71.5179000112.3K196 F197 N203 W204 P233K196-L200 HydrophobicContact CD-CD1 4.34Å; K196-L200 HydrophobicContact CG-CD1 3.73Å; K196-L200 HydrophobicContact CG-CG 4.3Å; K196-L200 WeakPolarHBondContact O-CB 3.36Å; K196-L200 VanDerWaalsContact O-CG 3.22Å; K196-L200 WeakPolarHBondContact O-CG 3.26Å; K196-L200 PolarHBondContact O-N 3.1Å; F197-L200 PolarHBondContact O-N 3.22Å; L200-N203 PolarHBondContact O-N 3.44Å; L200-W204 VanDerWaalsContact O-CB 3.27Å; L200-W204 WeakPolarHBondContact O-CB 3.36Å; L200-W204 PolarHBondContact O-N 2.91Å; L200-P233 HydrophobicContact CB-CB 3.68Å; L200-P233 HydrophobicContact CB-CG 4Å; L200-P233 HydrophobicContact CD1-CB 4.2Å
201A98.7Very high98Very high0 Ų048.3 Ų48.30%024%0.244CC..Hα-helixtrans-64.8-42.6177.100000111.6L130 F131 I134 F197 I198 W204 L205 I232L130-A201 HydrophobicContact CD2-CB 4.38Å; F131-A201 HydrophobicContact CE1-CB 3.97Å; I134-A201 HydrophobicContact CD1-CB 3.65Å; F197-A201 WeakPolarHBondContact O-CB 3.08Å; F197-A201 PolarHBondContact O-N 2.55Å; I198-A201 PolarHBondContact O-N 2.8Å; A201-W204 PolarHBondContact O-N 3.45Å; A201-L205 WeakPolarHBondContact O-CB 3.2Å; A201-L205 WeakPolarHBondContact O-CG 3.27Å; A201-L205 PolarHBondContact O-N 3.49Å; A201-I232 HydrophobicContact CB-CG2 3.58Å
202A98.7Very high98Very high0 Ų052.2 Ų52.20%027%0.271CS..Hα-helixtrans-60.6-48.8175.700000112F131 L174 L177 A178 I198 W204 L205 L206F131-A202 HydrophobicContact CE1-CB 4.17Å; F131-A202 HydrophobicContact CZ-CB 3.95Å; L174-A202 HydrophobicContact CD2-CB 4.48Å; L177-A202 HydrophobicContact CB-CB 3.58Å; A178-A202 HydrophobicContact CB-CB 4.1Å; I198-A202 WeakPolarHBondContact O-CB 3.32Å; I198-A202 PolarHBondContact O-N 2.84Å; A202-W204 VanDerWaalsContact C-N 3.32Å; A202-W204 PolarHBondContact O-N 2.92Å; A202-L205 PolarHBondContact O-N 2.93Å; A202-L206 WeakPolarHBondContact O-CG 3.16Å; A202-L206 PolarHBondContact O-N 3.28Å
203N98.6Very high98Very high61 Ų6154.1 Ų54.133%0.32627%0.267SS..Hα-helixtrans-61-39.3175.3-85.5-77.6000112.9A178 T199 L200 K207A178-N203 PolarHBondContact O-ND2 2.82Å; T199-N203 WeakPolarHBondContact O-CB 3.45Å; T199-N203 PolarHBondContact O-N 3.2Å; T199-N203 VanDerWaalsContact O-N 3.1Å; T199-N203 PolarHBondContact O-ND2 3.33Å; L200-N203 PolarHBondContact O-N 3.44Å; N203-K207 WeakPolarHBondContact O-CG 3.49Å; N203-K207 PolarHBondContact O-N 3.35Å
204W98.7Very high98.1Very high45 Ų4548.7 Ų48.717%0.1725%0.246CC..Hα-helixtrans-65.4-44.4177.6-171.6100.1000110.9L200 A201 A202 K207 N208 F228 Q231 I232L200-W204 VanDerWaalsContact O-CB 3.27Å; L200-W204 WeakPolarHBondContact O-CB 3.36Å; L200-W204 PolarHBondContact O-N 2.91Å; A201-W204 PolarHBondContact O-N 3.45Å; A202-W204 VanDerWaalsContact C-N 3.32Å; A202-W204 PolarHBondContact O-N 2.92Å; W204-K207 PolarHBondContact O-N 3.01Å; W204-N208 HydrophobicContact CD2-CB 4.35Å; W204-N208 HydrophobicContact CE3-CB 3.95Å; W204-N208 HydrophobicContact CH2-CB 3.86Å; W204-N208 HydrophobicContact CZ2-CB 4.25Å; W204-N208 HydrophobicContact CZ3-CB 3.69Å; W204-N208 WeakPolarHBondContact O-CB 3.42Å; W204-N208 PolarHBondContact O-N 3.44Å; W204-N208 VanDerWaalsContact O-N 3.11Å; W204-N208 PolarHBondContact O-ND2 3.46Å; W204-F228 HydrophobicContact CH2-CD2 4.26Å; W204-F228 AromaticContact CH2-CE1 3.97Å; W204-F228 HydrophobicContact CH2-CE1 3.97Å; W204-F228 AromaticContact CH2-CE2 3.65Å; W204-F228 HydrophobicContact CH2-CE2 3.65Å; W204-F228 AromaticContact CH2-CZ 3.49Å; W204-F228 HydrophobicContact CH2-CZ 3.49Å; W204-F228 VanDerWaalsContact CH2-CZ 3.49Å; W204-F228 AromaticContact CZ3-CE1 3.82Å; W204-F228 HydrophobicContact CZ3-CE1 3.82Å; W204-F228 HydrophobicContact CZ3-CE2 4.12Å; W204-F228 AromaticContact CZ3-CZ 3.47Å; W204-F228 HydrophobicContact CZ3-CZ 3.47Å; W204-F228 VanDerWaalsContact CZ3-CZ 3.47Å; W204-Q231 HydrophobicContact CH2-CB 4.34Å; W204-Q231 HydrophobicContact CZ2-CB 3.68Å; W204-I232 HydrophobicContact CD2-CG1 4.19Å; W204-I232 HydrophobicContact CE3-CB 4.47Å; W204-I232 HydrophobicContact CE3-CD1 4.15Å; W204-I232 HydrophobicContact CE3-CG1 3.65Å; W204-I232 HydrophobicContact CH2-CG1 3.96Å; W204-I232 HydrophobicContact CZ2-CG1 4.47Å; W204-I232 HydrophobicContact CZ3-CD1 3.86Å; W204-I232 HydrophobicContact CZ3-CG1 3.53Å
205L98.5Very high98.1Very high0 Ų051.2 Ų51.20%026%0.26CS..Hα-helixtrans-63.6-45.2179-76.8165.5000111.9L130 F131 L174 A201 A202 K207 N208 G209 G210 L214 I232L130-L205 HydrophobicContact CD1-CD1 4.07Å; L130-L205 HydrophobicContact CD2-CD1 4.11Å; F131-L205 HydrophobicContact CE2-CD1 4.26Å; F131-L205 HydrophobicContact CZ-CD1 4.04Å; L174-L205 HydrophobicContact CD1-CB 4.01Å; L174-L205 HydrophobicContact CD2-CB 4.29Å; L174-L205 HydrophobicContact CD2-CD1 3.91Å; A201-L205 WeakPolarHBondContact O-CB 3.2Å; A201-L205 WeakPolarHBondContact O-CG 3.27Å; A201-L205 PolarHBondContact O-N 3.49Å; A202-L205 PolarHBondContact O-N 2.93Å; L205-K207 PolarHBondContact O-N 2.99Å; L205-K207 VanDerWaalsContact O-N 3.15Å; L205-N208 CarbonylContact O-C 3.55Å; L205-N208 PolarHBondContact O-N 3.19Å; L205-G209 PolarHBondContact O-N 3.47Å; L205-G210 WeakPolarHBondContact O-CA 3.42Å; L205-G210 PolarHBondContact O-N 2.87Å; L205-L214 HydrophobicContact CD1-CD1 4.16Å; L205-L214 HydrophobicContact CD2-CD1 4.03Å; L205-L214 HydrophobicContact CD2-CD2 3.8Å; L205-L214 HydrophobicContact CD2-CG 3.87Å; L205-I232 HydrophobicContact CD2-CD1 4.1Å
206L98.5Very high98.2Very high70 Ų7055.9 Ų55.937%0.36628%0.281SS..Hα-helixtrans-55.9-32.7176.2-71.7172.8000112.7L174 E175 A178 A202L174-L206 HydrophobicContact CB-CD1 4.45Å; L174-L206 HydrophobicContact CB-CD2 3.73Å; L174-L206 HydrophobicContact CB-CG 3.98Å; L174-L206 HydrophobicContact CD1-CD2 4.22Å; E175-L206 HydrophobicContact CG-CD2 4.41Å; E175-L206 WeakPolarHBondContact OE1-CD2 3.17Å; A178-L206 HydrophobicContact CB-CD1 3.54Å; A202-L206 WeakPolarHBondContact O-CG 3.16Å; A202-L206 PolarHBondContact O-N 3.28Å
207K98.3Very high98.2Very high173 Ų17350.7 Ų50.775%0.75226%0.259SS*.Hα-helixtrans-83-18.7176.9-68176.7-177.3-177.70114.1N203 W204 L205N203-K207 WeakPolarHBondContact O-CG 3.49Å; N203-K207 PolarHBondContact O-N 3.35Å; W204-K207 PolarHBondContact O-N 3.01Å; L205-K207 PolarHBondContact O-N 2.99Å; L205-K207 VanDerWaalsContact O-N 3.15Å
208N98.3Very high98.2Very high69 Ų6950.1 Ų50.137%0.36926%0.255SS..THydrogen-bonded Turntrans-12237.6-171.4-67.1-84.2000112.1W204 L205 R213W204-N208 HydrophobicContact CD2-CB 4.35Å; W204-N208 HydrophobicContact CE3-CB 3.95Å; W204-N208 HydrophobicContact CH2-CB 3.86Å; W204-N208 HydrophobicContact CZ2-CB 4.25Å; W204-N208 HydrophobicContact CZ3-CB 3.69Å; W204-N208 WeakPolarHBondContact O-CB 3.42Å; W204-N208 PolarHBondContact O-N 3.44Å; W204-N208 VanDerWaalsContact O-N 3.11Å; W204-N208 PolarHBondContact O-ND2 3.46Å; L205-N208 CarbonylContact O-C 3.55Å; L205-N208 PolarHBondContact O-N 3.19Å; N208-R213 WeakPolarHBondContact O-CB 3.42Å; N208-R213 WeakPolarHBondContact O-CG 3.27Å
209G97.5Very high98.1Very high51 Ų5155.4 Ų55.453%0.52629%0.292SS..THydrogen-bonded Turntrans91.91.4170.400000116.5L205 R213L205-G209 PolarHBondContact O-N 3.47Å; G209-R213 PolarHBondContact O-N 2.78Å
210G97.2Very high98.1Very high9 Ų956.8 Ų56.89%0.09330%0.3CS..Hα-helixtrans57.7-145.1169.700000114.5L205 S212 R213 L214L205-G210 WeakPolarHBondContact O-CA 3.42Å; L205-G210 PolarHBondContact O-N 2.87Å; G210-S212 VanDerWaalsContact C-N 3.33Å; G210-S212 PolarHBondContact O-N 3.49Å; G210-R213 PolarHBondContact O-N 2.88Å; G210-L214 PolarHBondContact O-N 3.04Å
211R95.8Very high98.1Very high111 Ų11155.9 Ų55.942%0.41930%0.3SS..Hα-helixtrans-57.4-42.5-179.7-171.2174.9-179.4175.9-0.4113.1D125 E127 R213 L214 L215D125-R211 IonicContact OD1-CZ 3.99Å; D125-R211 IonicContact OD1-NE 2.82Å; D125-R211 PolarHBondContact OD1-NE 3.05Å; D125-R211 IonicContact OD1-NH2 3.8Å; D125-R211 PolarHBondContact OD1-NH2 3.14Å; E127-R211 WeakPolarHBondContact OE2-CB 3.45Å; R211-R213 VanDerWaalsContact C-N 3.29Å; R211-R213 PolarHBondContact O-N 2.82Å; R211-L214 PolarHBondContact O-N 3.04Å; R211-L214 VanDerWaalsContact O-N 3.12Å; R211-L215 HydrophobicContact CG-CD1 4.26Å; R211-L215 PolarHBondContact O-N 3.16Å
212S97.5Very high98.1Very high81 Ų8158.2 Ų58.257%0.56631%0.311SS*.Hα-helixtrans-58.3-43.8-179.5-56.60000111G210 L214 L215 E216G210-S212 VanDerWaalsContact C-N 3.33Å; G210-S212 PolarHBondContact O-N 3.49Å; S212-L214 VanDerWaalsContact C-N 3.33Å; S212-L214 PolarHBondContact O-N 3.17Å; S212-L215 PolarHBondContact O-N 2.89Å; S212-E216 WeakPolarHBondContact O-CG 3.39Å; S212-E216 PolarHBondContact O-N 3.15Å; S212-E216 VanDerWaalsContact O-N 3.08Å
213R98.2Very high98Very high78 Ų7863.3 Ų63.329%0.29434%0.342SS..Hα-helixtrans-62.9-38177.3-178.457.3-176.1160.52.1112.8N208 G209 G210 R211 E216 L217 F228N208-R213 WeakPolarHBondContact O-CB 3.42Å; N208-R213 WeakPolarHBondContact O-CG 3.27Å; G209-R213 PolarHBondContact O-N 2.78Å; G210-R213 PolarHBondContact O-N 2.88Å; R211-R213 VanDerWaalsContact C-N 3.29Å; R211-R213 PolarHBondContact O-N 2.82Å; R213-E216 VanDerWaalsContact CD-OE2 3.27Å; R213-E216 WeakPolarHBondContact CD-OE2 3.29Å; R213-E216 IonicContact CZ-OE2 2.94Å; R213-E216 IonicContact NE-OE2 3.73Å; R213-E216 IonicContact NH1-OE2 3.82Å; R213-E216 PolarHBondContact NH1-OE2 3.02Å; R213-E216 PolarHBondContact O-N 2.94Å; R213-L217 WeakPolarHBondContact O-CG 3.33Å; R213-F228 HydrophobicContact CG-CE1 4.2Å; R213-F228 HydrophobicContact CG-CE2 3.76Å; R213-F228 HydrophobicContact CG-CZ 3.41Å; R213-F228 VanDerWaalsContact CG-CZ 3.41Å
214L98.4Very high98Very high1 Ų165.9 Ų65.91%0.00535%0.352CS..Hα-helixtrans-65.7-39.5176-67.4177.3000112.2P126 E127 L130 L205 G210 R211 S212 E216 L217 F228 L229 L248P126-L214 HydrophobicContact CB-CB 3.82Å; E127-L214 HydrophobicContact CB-CD1 4.18Å; L130-L214 HydrophobicContact CD1-CD1 4.26Å; L130-L214 HydrophobicContact CD1-CD2 3.96Å; L205-L214 HydrophobicContact CD1-CD1 4.16Å; L205-L214 HydrophobicContact CD2-CD1 4.03Å; L205-L214 HydrophobicContact CD2-CD2 3.8Å; L205-L214 HydrophobicContact CD2-CG 3.87Å; G210-L214 PolarHBondContact O-N 3.04Å; R211-L214 PolarHBondContact O-N 3.04Å; R211-L214 VanDerWaalsContact O-N 3.12Å; S212-L214 VanDerWaalsContact C-N 3.33Å; S212-L214 PolarHBondContact O-N 3.17Å; L214-E216 VanDerWaalsContact C-N 3.35Å; L214-L217 HydrophobicContact CD2-CD1 4.17Å; L214-L217 WeakPolarHBondContact O-CB 3.45Å; L214-L217 PolarHBondContact O-N 3.4Å; L214-F228 HydrophobicContact CD2-CE1 4.28Å; L214-L229 HydrophobicContact CD2-CD2 4.43Å; L214-L248 WeakPolarHBondContact O-CD2 3.22Å
215L97.8Very high98Very high67 Ų6763.7 Ų63.735%0.35134%0.343SS..Hα-helixtrans-64.7-38.2177.1-71.7166.9000112P126 R211 S212 L217 R218P126-L215 HydrophobicContact CG-CD2 4.04Å; R211-L215 HydrophobicContact CG-CD1 4.26Å; R211-L215 PolarHBondContact O-N 3.16Å; S212-L215 PolarHBondContact O-N 2.89Å; L215-L217 PolarHBondContact O-N 3.05Å; L215-R218 WeakPolarHBondContact O-CB 3.36Å; L215-R218 PolarHBondContact O-N 2.72Å; L215-R218 VanDerWaalsContact O-N 3.13Å
216E98.3Very high98Very high98 Ų9864.9 Ų64.946%0.45835%0.349SS..Hα-helixtrans-58.5-29.3175.4-71.7167-165.400112.9S212 R213 L214 R218 S219S212-E216 WeakPolarHBondContact O-CG 3.39Å; S212-E216 PolarHBondContact O-N 3.15Å; S212-E216 VanDerWaalsContact O-N 3.08Å; R213-E216 VanDerWaalsContact CD-OE2 3.27Å; R213-E216 WeakPolarHBondContact CD-OE2 3.29Å; R213-E216 IonicContact CZ-OE2 2.94Å; R213-E216 IonicContact NE-OE2 3.73Å; R213-E216 IonicContact NH1-OE2 3.82Å; R213-E216 PolarHBondContact NH1-OE2 3.02Å; R213-E216 PolarHBondContact O-N 2.94Å; L214-E216 VanDerWaalsContact C-N 3.35Å; E216-R218 PolarHBondContact O-N 3.49Å; E216-R218 VanDerWaalsContact O-N 3.09Å; E216-S219 PolarHBondContact O-N 3.38Å
217L98.6Very high98Very high1 Ų163.9 Ų63.91%0.00535%0.35CS..G310 helixtrans-63.9-15.5179.5-56.9178.4000113.1R213 L214 L215 S219 V220 A225 F228 L229 L248 K250R213-L217 WeakPolarHBondContact O-CG 3.33Å; L214-L217 HydrophobicContact CD2-CD1 4.17Å; L214-L217 WeakPolarHBondContact O-CB 3.45Å; L214-L217 PolarHBondContact O-N 3.4Å; L215-L217 PolarHBondContact O-N 3.05Å; L217-S219 PolarHBondContact O-N 3.49Å; L217-V220 HydrophobicContact CB-CG2 4.46Å; L217-V220 HydrophobicContact CD2-CG2 4.24Å; L217-A225 HydrophobicContact CB-CB 4.33Å; L217-F228 HydrophobicContact CD1-CD1 3.58Å; L217-F228 HydrophobicContact CD1-CE1 4.03Å; L217-F228 HydrophobicContact CD1-CG 4.36Å; L217-F228 HydrophobicContact CD2-CB 4.17Å; L217-F228 HydrophobicContact CD2-CD1 4.07Å; L217-F228 HydrophobicContact CD2-CG 4.06Å; L217-F228 HydrophobicContact CG-CD1 4.38Å; L217-L229 HydrophobicContact CD1-CD2 4.27Å; L217-L229 HydrophobicContact CD1-CG 4.35Å; L217-L248 HydrophobicContact CB-CD1 3.81Å; L217-L248 HydrophobicContact CB-CD2 4.05Å; L217-L248 HydrophobicContact CB-CG 4.4Å; L217-L248 HydrophobicContact CD1-CD1 3.88Å; L217-K250 PolarHBondContact O-NZ 3.43Å
218R98.2Very high98Very high54 Ų5456.6 Ų56.620%0.20432%0.319CS..G310 helixtrans-60.3-31.9169.5-73.3178.1173.5-169.42.1112Q124 L215 E216 S247 L248 D249 K250Q124-R218 PolarHBondContact O-NH2 3.46Å; Q124-R218 VanDerWaalsContact O-NH2 3.1Å; L215-R218 WeakPolarHBondContact O-CB 3.36Å; L215-R218 PolarHBondContact O-N 2.72Å; L215-R218 VanDerWaalsContact O-N 3.13Å; E216-R218 PolarHBondContact O-N 3.49Å; E216-R218 VanDerWaalsContact O-N 3.09Å; R218-S247 PolarHBondContact NE-O 3.24Å; R218-S247 PolarHBondContact NH2-O 2.85Å; R218-L248 HydrophobicContact CG-CD2 4.43Å; R218-D249 VanDerWaalsContact CD-OD2 3.32Å; R218-D249 WeakPolarHBondContact CD-OD2 3.43Å; R218-D249 WeakPolarHBondContact CG-OD2 3.44Å; R218-D249 IonicContact NE-OD2 3.34Å; R218-K250 PolarHBondContact O-NZ 2.78Å
219S98.2Very high98.1Very high111 Ų11153.3 Ų53.378%0.77630%0.301SS*.G310 helixtrans-95.9-2.3-172.1-50.80000114.8E216 L217E216-S219 PolarHBondContact O-N 3.38Å; L217-S219 PolarHBondContact O-N 3.49Å
220V98.4Very high98.1Very high42 Ų4254 Ų5426%0.25529%0.293SS..SBendtrans-102.6173177.8-52.90000111.4L217 E224 A225 K250L217-V220 HydrophobicContact CB-CG2 4.46Å; L217-V220 HydrophobicContact CD2-CG2 4.24Å; V220-E224 HydrophobicContact CB-CB 4.12Å; V220-E224 HydrophobicContact CG2-CB 3.94Å; V220-A225 HydrophobicContact CG2-CB 4Å; V220-K250 WeakPolarHBondContact O-CE 3.37Å; V220-K250 PolarHBondContact O-NZ 3.02Å
221S98.2Very high98.2Very high52 Ų5259.4 Ų59.436%0.36432%0.316SS..  trans-68.1161.517666.90000112.7V223 E224 A225S221-V223 VanDerWaalsContact C-N 3.27Å; S221-V223 PolarHBondContact O-N 2.79Å; S221-E224 WeakPolarHBondContact CB-OE2 3.45Å; S221-E224 PolarHBondContact N-OE2 3.48Å; S221-E224 PolarHBondContact O-N 3.44Å; S221-E224 VanDerWaalsContact OG-CG 3.28Å; S221-E224 WeakPolarHBondContact OG-CG 3.42Å; S221-E224 PolarHBondContact OG-N 2.86Å; S221-E224 PolarHBondContact OG-OE2 3.03Å; S221-A225 WeakPolarHBondContact O-CB 3.48Å; S221-A225 PolarHBondContact O-N 3.42Å
222H97.9Very high98.3Very high49 Ų4954.2 Ų54.223%0.22730%0.296CS..Hα-helixtrans-56.5-42.2172.1164.1-113.4000112E224 A225 Q226 D241 K250 V253H222-E224 PolarHBondContact O-N 2.93Å; H222-A225 PolarHBondContact O-N 2.67Å; H222-Q226 VanDerWaalsContact O-CB 3.31Å; H222-Q226 WeakPolarHBondContact O-CB 3.16Å; H222-Q226 PolarHBondContact O-N 2.83Å; H222-D241 IonicContact CD2-OD1 2.82Å; H222-D241 IonicContact CE1-OD1 2.68Å; H222-D241 IonicContact NE2-OD1 3.42Å; H222-D241 PolarHBondContact NE2-OD1 2.91Å; H222-K250 HydrophobicContact CB-CB 4.41Å; H222-K250 HydrophobicContact CB-CD 4.18Å; H222-K250 HydrophobicContact CB-CG 4.27Å; H222-V253 HydrophobicContact CB-CG2 4.04Å; H222-V253 WeakPolarHBondContact CD2-CG2 3.26Å; H222-V253 VanDerWaalsContact CG-CG2 3.48Å
223V97.7Very high98.3Very high107 Ų10752.3 Ų52.365%0.64828%0.282SS*.Hα-helixtrans-59.7-47.1-179.51770000111S221 A227S221-V223 VanDerWaalsContact C-N 3.27Å; S221-V223 PolarHBondContact O-N 2.79Å; V223-A227 VanDerWaalsContact O-CB 3.22Å; V223-A227 WeakPolarHBondContact O-CB 3.14Å; V223-A227 PolarHBondContact O-N 3.25Å
224E98.4Very high98.3Very high114 Ų11449.9 Ų49.953%0.53328%0.281SS..Hα-helixtrans-67.7-43.5178.5-69.4166.4119.500112V220 S221 H222 A227 F228V220-E224 HydrophobicContact CB-CB 4.12Å; V220-E224 HydrophobicContact CG2-CB 3.94Å; S221-E224 WeakPolarHBondContact CB-OE2 3.45Å; S221-E224 PolarHBondContact N-OE2 3.48Å; S221-E224 PolarHBondContact O-N 3.44Å; S221-E224 VanDerWaalsContact OG-CG 3.28Å; S221-E224 WeakPolarHBondContact OG-CG 3.42Å; S221-E224 PolarHBondContact OG-N 2.86Å; S221-E224 PolarHBondContact OG-OE2 3.03Å; H222-E224 PolarHBondContact O-N 2.93Å; E224-A227 PolarHBondContact O-N 3.23Å; E224-F228 PolarHBondContact O-N 3.44Å
225A98.7Very high98.3Very high0 Ų050.4 Ų50.40%028%0.284CS..Hα-helixtrans-61.4-46.3177.600000111.4L217 V220 S221 H222 F228 L229 L248L217-A225 HydrophobicContact CB-CB 4.33Å; V220-A225 HydrophobicContact CG2-CB 4Å; S221-A225 WeakPolarHBondContact O-CB 3.48Å; S221-A225 PolarHBondContact O-N 3.42Å; H222-A225 PolarHBondContact O-N 2.67Å; A225-F228 PolarHBondContact O-N 3.19Å; A225-L229 WeakPolarHBondContact O-CB 3.37Å; A225-L229 VanDerWaalsContact O-CG 3.26Å; A225-L229 WeakPolarHBondContact O-CG 3.19Å; A225-L229 PolarHBondContact O-N 3.36Å; A225-L248 HydrophobicContact CB-CD1 4.4Å
226Q98.3Very high98.2Very high25 Ų2549 Ų4912%0.11729%0.285CS..Hα-helixtrans-65.2-43.8178.1-164.3-163.267.300111.2H222 F228 L229 L230 A240 D241H222-Q226 VanDerWaalsContact O-CB 3.31Å; H222-Q226 WeakPolarHBondContact O-CB 3.16Å; H222-Q226 PolarHBondContact O-N 2.83Å; Q226-F228 VanDerWaalsContact C-N 3.29Å; Q226-F228 PolarHBondContact O-N 3.39Å; Q226-L229 PolarHBondContact O-N 2.92Å; Q226-L230 HydrophobicContact CG-CD1 4.08Å; Q226-L230 HydrophobicContact CG-CG 4.34Å; Q226-L230 WeakPolarHBondContact O-CB 3.43Å; Q226-L230 VanDerWaalsContact O-CG 3.25Å; Q226-L230 WeakPolarHBondContact O-CG 3.41Å; Q226-L230 PolarHBondContact O-N 2.99Å; Q226-A240 HydrophobicContact CG-CB 3.79Å; Q226-D241 PolarHBondContact NE2-OD1 3.07Å; Q226-D241 PolarHBondContact NE2-OD2 2.79Å
227A98.4Very high98.1Very high48 Ų4846.8 Ų46.840%0.39727%0.274SS..Hα-helixtrans-61.3-36.9177.900000112.6V223 E224 Q231V223-A227 VanDerWaalsContact O-CB 3.22Å; V223-A227 WeakPolarHBondContact O-CB 3.14Å; V223-A227 PolarHBondContact O-N 3.25Å; E224-A227 PolarHBondContact O-N 3.23Å; A227-Q231 PolarHBondContact O-NE2 3.39Å; A227-Q231 VanDerWaalsContact O-NE2 3.15Å
228F98.7Very high98Very high20 Ų2049.6 Ų49.69%0.08829%0.286CS..Hα-helixtrans-65.9-50.8171.5179.8-89.3000111.4W204 R213 L214 L217 E224 A225 Q226 L230 Q231 I232W204-F228 HydrophobicContact CH2-CD2 4.26Å; W204-F228 AromaticContact CH2-CE1 3.97Å; W204-F228 HydrophobicContact CH2-CE1 3.97Å; W204-F228 AromaticContact CH2-CE2 3.65Å; W204-F228 HydrophobicContact CH2-CE2 3.65Å; W204-F228 AromaticContact CH2-CZ 3.49Å; W204-F228 HydrophobicContact CH2-CZ 3.49Å; W204-F228 VanDerWaalsContact CH2-CZ 3.49Å; W204-F228 AromaticContact CZ3-CE1 3.82Å; W204-F228 HydrophobicContact CZ3-CE1 3.82Å; W204-F228 HydrophobicContact CZ3-CE2 4.12Å; W204-F228 AromaticContact CZ3-CZ 3.47Å; W204-F228 HydrophobicContact CZ3-CZ 3.47Å; W204-F228 VanDerWaalsContact CZ3-CZ 3.47Å; R213-F228 HydrophobicContact CG-CE1 4.2Å; R213-F228 HydrophobicContact CG-CE2 3.76Å; R213-F228 HydrophobicContact CG-CZ 3.41Å; R213-F228 VanDerWaalsContact CG-CZ 3.41Å; L214-F228 HydrophobicContact CD2-CE1 4.28Å; L217-F228 HydrophobicContact CD1-CD1 3.58Å; L217-F228 HydrophobicContact CD1-CE1 4.03Å; L217-F228 HydrophobicContact CD1-CG 4.36Å; L217-F228 HydrophobicContact CD2-CB 4.17Å; L217-F228 HydrophobicContact CD2-CD1 4.07Å; L217-F228 HydrophobicContact CD2-CG 4.06Å; L217-F228 HydrophobicContact CG-CD1 4.38Å; E224-F228 PolarHBondContact O-N 3.44Å; A225-F228 PolarHBondContact O-N 3.19Å; Q226-F228 VanDerWaalsContact C-N 3.29Å; Q226-F228 PolarHBondContact O-N 3.39Å; F228-L230 VanDerWaalsContact C-N 3.28Å; F228-L230 PolarHBondContact O-N 3.45Å; F228-Q231 WeakPolarHBondContact O-CB 3.45Å; F228-Q231 PolarHBondContact O-N 2.96Å; F228-Q231 VanDerWaalsContact O-N 3.07Å; F228-I232 HydrophobicContact CD1-CD1 4.48Å; F228-I232 HydrophobicContact CE1-CD1 4.14Å
229L98.8Very high97.9Very high0 Ų047.4 Ų47.40%028%0.279CS..Hα-helixtrans-61-35.1-178-72.1173.5000112.9L130 L214 L217 A225 Q226 Q231 I232 I235 A240 I243 L248L130-L229 HydrophobicContact CD1-CD2 4.14Å; L214-L229 HydrophobicContact CD2-CD2 4.43Å; L217-L229 HydrophobicContact CD1-CD2 4.27Å; L217-L229 HydrophobicContact CD1-CG 4.35Å; A225-L229 WeakPolarHBondContact O-CB 3.37Å; A225-L229 VanDerWaalsContact O-CG 3.26Å; A225-L229 WeakPolarHBondContact O-CG 3.19Å; A225-L229 PolarHBondContact O-N 3.36Å; Q226-L229 PolarHBondContact O-N 2.92Å; L229-Q231 PolarHBondContact O-N 3.15Å; L229-I232 HydrophobicContact CD2-CD1 3.98Å; L229-I232 WeakPolarHBondContact O-CB 3.5Å; L229-I232 WeakPolarHBondContact O-CG1 3.11Å; L229-I232 PolarHBondContact O-N 2.84Å; L229-I235 HydrophobicContact CB-CG2 4.28Å; L229-I235 HydrophobicContact CD2-CD1 4.4Å; L229-I235 WeakPolarHBondContact O-CB 3.45Å; L229-I235 WeakPolarHBondContact O-CG2 3.27Å; L229-A240 HydrophobicContact CB-CB 3.92Å; L229-A240 HydrophobicContact CD1-CB 4.19Å; L229-I243 HydrophobicContact CD1-CB 4Å; L229-I243 HydrophobicContact CD1-CG2 3.9Å; L229-I243 HydrophobicContact CD2-CD1 4.46Å; L229-I243 HydrophobicContact CD2-CG2 4.17Å; L229-L248 HydrophobicContact CD1-CD1 3.9Å
230L98.4Very high98Very high67 Ų6742.1 Ų42.135%0.35124%0.242SC..THydrogen-bonded Turntrans-66.8-15177.6-74.2171.3000113.9Q226 F228 I232 K237 A240Q226-L230 HydrophobicContact CG-CD1 4.08Å; Q226-L230 HydrophobicContact CG-CG 4.34Å; Q226-L230 WeakPolarHBondContact O-CB 3.43Å; Q226-L230 VanDerWaalsContact O-CG 3.25Å; Q226-L230 WeakPolarHBondContact O-CG 3.41Å; Q226-L230 PolarHBondContact O-N 2.99Å; F228-L230 VanDerWaalsContact C-N 3.28Å; F228-L230 PolarHBondContact O-N 3.45Å; L230-I232 VanDerWaalsContact C-N 3.3Å; L230-K237 HydrophobicContact CD1-CG 4.49Å; L230-K237 HydrophobicContact CD2-CG 4.18Å; L230-A240 HydrophobicContact CD2-CB 4.48Å
231Q98.5Very high98Very high122 Ų12240.2 Ų40.257%0.5723%0.23SC*.THydrogen-bonded Turntrans-79.7-15.7173.1-63.4170.956.800112.4W204 A227 F228 L229W204-Q231 HydrophobicContact CH2-CB 4.34Å; W204-Q231 HydrophobicContact CZ2-CB 3.68Å; A227-Q231 PolarHBondContact O-NE2 3.39Å; A227-Q231 VanDerWaalsContact O-NE2 3.15Å; F228-Q231 WeakPolarHBondContact O-CB 3.45Å; F228-Q231 PolarHBondContact O-N 2.96Å; F228-Q231 VanDerWaalsContact O-N 3.07Å; L229-Q231 PolarHBondContact O-N 3.15Å
232I98.7Very high98Very high2 Ų237.9 Ų37.91%0.0121%0.214CC..SBendtrans-81.9126.2-176.2-51.2-177.4000109.6L130 A201 W204 L205 F228 L229 L230 G234 I235L130-I232 HydrophobicContact CD1-CD1 3.67Å; A201-I232 HydrophobicContact CB-CG2 3.58Å; W204-I232 HydrophobicContact CD2-CG1 4.19Å; W204-I232 HydrophobicContact CE3-CB 4.47Å; W204-I232 HydrophobicContact CE3-CD1 4.15Å; W204-I232 HydrophobicContact CE3-CG1 3.65Å; W204-I232 HydrophobicContact CH2-CG1 3.96Å; W204-I232 HydrophobicContact CZ2-CG1 4.47Å; W204-I232 HydrophobicContact CZ3-CD1 3.86Å; W204-I232 HydrophobicContact CZ3-CG1 3.53Å; L205-I232 HydrophobicContact CD2-CD1 4.1Å; F228-I232 HydrophobicContact CD1-CD1 4.48Å; F228-I232 HydrophobicContact CE1-CD1 4.14Å; L229-I232 HydrophobicContact CD2-CD1 3.98Å; L229-I232 WeakPolarHBondContact O-CB 3.5Å; L229-I232 WeakPolarHBondContact O-CG1 3.11Å; L229-I232 PolarHBondContact O-N 2.84Å; L230-I232 VanDerWaalsContact C-N 3.3Å; I232-G234 PolarHBondContact O-N 3.32Å; I232-I235 HydrophobicContact CB-CD1 3.72Å; I232-I235 HydrophobicContact CB-CG1 4.09Å; I232-I235 HydrophobicContact CD1-CD1 4.07Å; I232-I235 HydrophobicContact CG1-CD1 4.36Å; I232-I235 HydrophobicContact CG2-CD1 3.92Å; I232-I235 HydrophobicContact CG2-CG1 4.27Å; I232-I235 PolarHBondContact O-N 3.05Å; I232-I235 VanDerWaalsContact O-N 3.13Å
233P98.1Very high98Very high40 Ų4035.6 Ų35.626%0.2620%0.203SC..THydrogen-bonded Turntrans-54.8124.8-179.3-2936.8000113.5F197 L200F197-P233 HydrophobicContact CD1-CB 4.46Å; L200-P233 HydrophobicContact CB-CB 3.68Å; L200-P233 HydrophobicContact CB-CG 4Å; L200-P233 HydrophobicContact CD1-CB 4.2Å
234G96.7Very high98.1Very high27 Ų2730.5 Ų30.528%0.27817%0.172SC..THydrogen-bonded Turntrans93.8-1.1178.700000115.2I232I232-G234 PolarHBondContact O-N 3.32Å
235I98.3Very high98.1Very high13 Ų1325 Ų257%0.06715%0.147CC..  trans-99.5113.8176.4-57.1-168.8000110.2L130 I134 L229 I232 V239 A240 I243L130-I235 HydrophobicContact CD1-CD1 3.88Å; L130-I235 HydrophobicContact CD2-CD1 4.42Å; L130-I235 HydrophobicContact CG-CD1 3.86Å; I134-I235 HydrophobicContact CD1-CD1 4.4Å; I134-I235 HydrophobicContact CD1-CG1 4.09Å; I134-I235 HydrophobicContact CG1-CG1 3.96Å; L229-I235 HydrophobicContact CB-CG2 4.28Å; L229-I235 HydrophobicContact CD2-CD1 4.4Å; L229-I235 WeakPolarHBondContact O-CB 3.45Å; L229-I235 WeakPolarHBondContact O-CG2 3.27Å; I232-I235 HydrophobicContact CB-CD1 3.72Å; I232-I235 HydrophobicContact CB-CG1 4.09Å; I232-I235 HydrophobicContact CD1-CD1 4.07Å; I232-I235 HydrophobicContact CG1-CD1 4.36Å; I232-I235 HydrophobicContact CG2-CD1 3.92Å; I232-I235 HydrophobicContact CG2-CG1 4.27Å; I232-I235 PolarHBondContact O-N 3.05Å; I232-I235 VanDerWaalsContact O-N 3.13Å; I235-V239 HydrophobicContact CB-CG1 4.31Å; I235-V239 HydrophobicContact CG1-CG1 4.18Å; I235-V239 HydrophobicContact CG2-CB 4.16Å; I235-V239 HydrophobicContact CG2-CG1 3.9Å; I235-A240 HydrophobicContact CG2-CB 3.77Å; I235-I243 HydrophobicContact CD1-CD1 3.84Å
236G96.3Very high98.1Very high37 Ų3725.5 Ų25.538%0.38115%0.149SC..  trans-100.1174.1166.400000111.7K238 V239 A240G236-K238 PolarHBondContact O-N 3.09Å; G236-V239 WeakPolarHBondContact O-CA 3.42Å; G236-V239 WeakPolarHBondContact O-CB 3.17Å; G236-V239 PolarHBondContact O-N 2.99Å; G236-A240 PolarHBondContact O-N 3.43Å
237K95.9Very high98.1Very high51 Ų5124.3 Ų24.322%0.22214%0.144CC..Hα-helixtrans-48.3-51.3-174.3-68-170.8172-169.70114.5L230 V239 A240 D241 T279 Y282 D283L230-K237 HydrophobicContact CD1-CG 4.49Å; L230-K237 HydrophobicContact CD2-CG 4.18Å; K237-V239 VanDerWaalsContact C-N 3.33Å; K237-V239 PolarHBondContact O-N 3.46Å; K237-A240 WeakPolarHBondContact O-CB 3.39Å; K237-A240 PolarHBondContact O-N 2.79Å; K237-D241 PolarHBondContact O-N 2.84Å; K237-T279 HydrophobicContact CD-CG2 4.13Å; K237-Y282 HydrophobicContact CB-CD1 4Å; K237-Y282 HydrophobicContact CB-CE1 3.82Å; K237-Y282 HydrophobicContact CB-CE2 4.46Å; K237-Y282 HydrophobicContact CB-CG 4.45Å; K237-Y282 HydrophobicContact CD-CD1 3.87Å; K237-Y282 HydrophobicContact CD-CE1 4.41Å; K237-Y282 HydrophobicContact CD-CG 4.36Å; K237-D283 IonicContact NZ-OD1 2.59Å; K237-D283 PolarHBondContact NZ-OD1 3.45Å; K237-D283 IonicContact NZ-OD2 2.81Å; K237-D283 PolarHBondContact NZ-OD2 3.01Å
238K96.2Very high98.1Very high60 Ų6022 Ų2226%0.26113%0.125SC..Hα-helixtrans-57-45.5177.2-171.5-84.2-178.8-1680112.7G236 D241 C242 I256 Y282G236-K238 PolarHBondContact O-N 3.09Å; K238-D241 PolarHBondContact O-N 3.39Å; K238-C242 VanDerWaalsContact CE-SG 3.56Å; K238-C242 PolarHBondContact NZ-SG 3.39Å; K238-C242 PolarHBondContact O-N 3.14Å; K238-C242 PolarHBondContact O-SG 2.83Å; K238-C242 VanDerWaalsContact O-SG 3.4Å; K238-I256 VanDerWaalsContact CG-O 3.28Å; K238-I256 WeakPolarHBondContact CG-O 3.2Å; K238-Y282 WeakPolarHBondContact CA-OH 3.44Å; K238-Y282 HydrophobicContact CB-CE2 3.93Å
239V97.8Very high98.1Very high9 Ų922.8 Ų22.86%0.05513%0.13CC..Hα-helixtrans-65.4-44.2-179.91720000109.8F133 A137 I235 G236 K237 D241 C242 I243F133-V239 HydrophobicContact CB-CG1 3.91Å; A137-V239 HydrophobicContact CB-CG2 4.3Å; I235-V239 HydrophobicContact CB-CG1 4.31Å; I235-V239 HydrophobicContact CG1-CG1 4.18Å; I235-V239 HydrophobicContact CG2-CB 4.16Å; I235-V239 HydrophobicContact CG2-CG1 3.9Å; G236-V239 WeakPolarHBondContact O-CA 3.42Å; G236-V239 WeakPolarHBondContact O-CB 3.17Å; G236-V239 PolarHBondContact O-N 2.99Å; K237-V239 VanDerWaalsContact C-N 3.33Å; K237-V239 PolarHBondContact O-N 3.46Å; V239-D241 PolarHBondContact O-N 3.49Å; V239-C242 PolarHBondContact O-N 3.38Å; V239-I243 HydrophobicContact CG1-CD1 4Å; V239-I243 WeakPolarHBondContact O-CD1 3.22Å; V239-I243 VanDerWaalsContact O-CG1 3.31Å; V239-I243 WeakPolarHBondContact O-CG1 3.37Å; V239-I243 PolarHBondContact O-N 2.91Å; V239-I243 VanDerWaalsContact O-N 3.08Å
240A98.6Very high98.1Very high0 Ų023.4 Ų23.40%013%0.132CC..Hα-helixtrans-58.2-46.7175.600000111.4Q226 L229 L230 I235 G236 K237 C242 I243 C244Q226-A240 HydrophobicContact CG-CB 3.79Å; L229-A240 HydrophobicContact CB-CB 3.92Å; L229-A240 HydrophobicContact CD1-CB 4.19Å; L230-A240 HydrophobicContact CD2-CB 4.48Å; I235-A240 HydrophobicContact CG2-CB 3.77Å; G236-A240 PolarHBondContact O-N 3.43Å; K237-A240 WeakPolarHBondContact O-CB 3.39Å; K237-A240 PolarHBondContact O-N 2.79Å; A240-C242 PolarHBondContact O-N 3.39Å; A240-I243 PolarHBondContact O-N 3.04Å; A240-I243 VanDerWaalsContact O-N 3.16Å; A240-C244 WeakPolarHBondContact O-CB 3.09Å; A240-C244 PolarHBondContact O-N 3.44Å; A240-C244 PolarHBondContact O-SG 2.8Å; A240-C244 VanDerWaalsContact O-SG 3.35Å
241D98.6Very high98.1Very high1 Ų121.3 Ų21.31%0.00512%0.122CC..Hα-helixtrans-66-36.9179.4-75.4-14.3000113.1H222 Q226 K237 K238 V239 I243 C244 L245 V253 P255 Y282H222-D241 IonicContact CD2-OD1 2.82Å; H222-D241 IonicContact CE1-OD1 2.68Å; H222-D241 IonicContact NE2-OD1 3.42Å; H222-D241 PolarHBondContact NE2-OD1 2.91Å; Q226-D241 PolarHBondContact NE2-OD1 3.07Å; Q226-D241 PolarHBondContact NE2-OD2 2.79Å; K237-D241 PolarHBondContact O-N 2.84Å; K238-D241 PolarHBondContact O-N 3.39Å; V239-D241 PolarHBondContact O-N 3.49Å; D241-I243 VanDerWaalsContact C-N 3.34Å; D241-I243 PolarHBondContact O-N 2.82Å; D241-C244 PolarHBondContact O-N 3.08Å; D241-L245 VanDerWaalsContact O-CB 3.32Å; D241-L245 WeakPolarHBondContact O-CB 3.49Å; D241-L245 PolarHBondContact O-N 3.49Å; D241-V253 HydrophobicContact CB-CG1 3.52Å; D241-P255 HydrophobicContact CB-CB 3.98Å; D241-P255 HydrophobicContact CB-CG 3.97Å; D241-Y282 WeakPolarHBondContact OD2-CE1 3.44Å; D241-Y282 VanDerWaalsContact OD2-CZ 3.27Å; D241-Y282 PolarHBondContact OD2-OH 3.4Å
242C98.5Very high98Very high4 Ų418.8 Ų18.83%0.02711%0.112CC..Hα-helixtrans-59.2-45.6171.4-77.30000111.7F133 K238 V239 A240 L245 M246F133-C242 HydrophobicContact CD1-CB 3.44Å; F133-C242 VanDerWaalsContact CD1-CB 3.44Å; F133-C242 HydrophobicContact CD2-CB 4.05Å; F133-C242 HydrophobicContact CE1-CB 3.55Å; F133-C242 HydrophobicContact CE2-CB 4.13Å; F133-C242 HydrophobicContact CG-CB 3.75Å; F133-C242 HydrophobicContact CZ-CB 3.94Å; K238-C242 VanDerWaalsContact CE-SG 3.56Å; K238-C242 PolarHBondContact NZ-SG 3.39Å; K238-C242 PolarHBondContact O-N 3.14Å; K238-C242 PolarHBondContact O-SG 2.83Å; K238-C242 VanDerWaalsContact O-SG 3.4Å; V239-C242 PolarHBondContact O-N 3.38Å; A240-C242 PolarHBondContact O-N 3.39Å; C242-L245 PolarHBondContact O-N 3.32Å; C242-M246 HydrophobicContact CB-CE 3.44Å; C242-M246 VanDerWaalsContact CB-CE 3.44Å; C242-M246 WeakPolarHBondContact O-CB 3.47Å; C242-M246 WeakPolarHBondContact O-CE 3.31Å; C242-M246 PolarHBondContact O-N 3.25Å
243I98.8Very high98Very high0 Ų018.9 Ų18.90%011%0.113CC..Hα-helixtrans-64-45.4177.9-63.1161.3000110.1T129 L130 F133 L229 I235 V239 A240 D241 L245 S247 L248T129-I243 HydrophobicContact CG2-CB 4.49Å; T129-I243 HydrophobicContact CG2-CG1 4.31Å; T129-I243 HydrophobicContact CG2-CG2 4.47Å; L130-I243 HydrophobicContact CB-CD1 4.16Å; L130-I243 HydrophobicContact CG-CD1 4.09Å; F133-I243 HydrophobicContact CB-CD1 4.43Å; F133-I243 HydrophobicContact CB-CG1 4.05Å; F133-I243 HydrophobicContact CD2-CG1 4.24Å; F133-I243 HydrophobicContact CG-CG1 4.45Å; L229-I243 HydrophobicContact CD1-CB 4Å; L229-I243 HydrophobicContact CD1-CG2 3.9Å; L229-I243 HydrophobicContact CD2-CD1 4.46Å; L229-I243 HydrophobicContact CD2-CG2 4.17Å; I235-I243 HydrophobicContact CD1-CD1 3.84Å; V239-I243 HydrophobicContact CG1-CD1 4Å; V239-I243 WeakPolarHBondContact O-CD1 3.22Å; V239-I243 VanDerWaalsContact O-CG1 3.31Å; V239-I243 WeakPolarHBondContact O-CG1 3.37Å; V239-I243 PolarHBondContact O-N 2.91Å; V239-I243 VanDerWaalsContact O-N 3.08Å; A240-I243 PolarHBondContact O-N 3.04Å; A240-I243 VanDerWaalsContact O-N 3.16Å; D241-I243 VanDerWaalsContact C-N 3.34Å; D241-I243 PolarHBondContact O-N 2.82Å; I243-L245 PolarHBondContact O-N 3.2Å; I243-S247 PolarHBondContact O-N 3.22Å; I243-S247 PolarHBondContact O-OG 3.05Å; I243-L248 HydrophobicContact CG2-CD1 4.05Å; I243-L248 HydrophobicContact CG2-CG 4.27Å; I243-L248 PolarHBondContact O-N 2.81Å
244C98.8Very high98Very high0 Ų017 Ų170%010%0.1CC..Hα-helixtrans-54.4-50.2176.5-76.20000112.3A240 D241 L248 D249 K250A240-C244 WeakPolarHBondContact O-CB 3.09Å; A240-C244 PolarHBondContact O-N 3.44Å; A240-C244 PolarHBondContact O-SG 2.8Å; A240-C244 VanDerWaalsContact O-SG 3.35Å; D241-C244 PolarHBondContact O-N 3.08Å; C244-L248 CarbonylContact O-C 3.31Å; C244-L248 WeakPolarHBondContact O-CA 3.28Å; C244-L248 PolarHBondContact O-N 2.82Å; C244-L248 VanDerWaalsContact O-N 3.13Å; C244-D249 PolarHBondContact O-N 2.89Å; C244-K250 HydrophobicContact CB-CB 3.95Å; C244-K250 HydrophobicContact CB-CG 3.86Å; C244-K250 PolarHBondContact O-N 2.83Å
245L98.8Very high98.1Very high0 Ų015.8 Ų15.80%09%0.088CC..Hα-helixtrans-67.3-49-177.5176.258.5000112.5L121 D241 C242 I243 K250 P255L121-L245 HydrophobicContact CD1-CD1 4.11Å; L121-L245 HydrophobicContact CD1-CD2 4.32Å; L121-L245 HydrophobicContact CD1-CG 3.96Å; L121-L245 HydrophobicContact CD2-CD1 3.62Å; L121-L245 HydrophobicContact CD2-CG 4.37Å; L121-L245 HydrophobicContact CG-CD1 4.48Å; D241-L245 VanDerWaalsContact O-CB 3.32Å; D241-L245 WeakPolarHBondContact O-CB 3.49Å; D241-L245 PolarHBondContact O-N 3.49Å; C242-L245 PolarHBondContact O-N 3.32Å; I243-L245 PolarHBondContact O-N 3.2Å; L245-K250 WeakPolarHBondContact CD1-O 3.4Å; L245-P255 HydrophobicContact CB-CG 4.47Å; L245-P255 HydrophobicContact CD2-CG 3.98Å
246M98.6Very high98Very high9 Ų915.4 Ų15.44%0.0449%0.086CC..Hα-helixtrans-92.9-4.8-167.5-71.9171.2-87.100114.5Q27 L121 Q124 F133 C242Q27-M246 WeakPolarHBondContact CA-SD 3.39Å; Q27-M246 HydrophobicContact CB-CG 4.35Å; Q27-M246 HydrophobicContact CB-SD 3.57Å; Q27-M246 VanDerWaalsContact CB-SD 3.57Å; Q27-M246 HydrophobicContact CG-CG 4.26Å; Q27-M246 HydrophobicContact CG-SD 3.61Å; L121-M246 HydrophobicContact CD1-CG 4.19Å; Q124-M246 WeakPolarHBondContact CB-O 3.38Å; Q124-M246 PolarHBondContact N-O 2.93Å; F133-M246 HydrophobicContact CE1-CE 3.7Å; F133-M246 HydrophobicContact CE2-CE 3.5Å; F133-M246 HydrophobicContact CE2-SD 3.87Å; F133-M246 HydrophobicContact CZ-CE 3.04Å; F133-M246 HydrophobicContact CZ-SD 3.51Å; F133-M246 VanDerWaalsContact CZ-SD 3.51Å; C242-M246 HydrophobicContact CB-CE 3.44Å; C242-M246 VanDerWaalsContact CB-CE 3.44Å; C242-M246 WeakPolarHBondContact O-CB 3.47Å; C242-M246 WeakPolarHBondContact O-CE 3.31Å; C242-M246 PolarHBondContact O-N 3.25Å
247S98.4Very high97.7Very high0 Ų015 Ų150%08%0.075CC..Hα-helixtrans-144.6-19.8179.669.10000116Q124 R218 I243Q124-S247 WeakPolarHBondContact O-CB 3.33Å; R218-S247 PolarHBondContact NE-O 3.24Å; R218-S247 PolarHBondContact NH2-O 2.85Å; I243-S247 PolarHBondContact O-N 3.22Å; I243-S247 PolarHBondContact O-OG 3.05Å
248L98.7Very high97.4Very high0 Ų018.1 Ų18.10%010%0.098CC..SBendtrans-113.316-173.7-48.2178.7000114.1P126 L214 L217 R218 A225 L229 I243 C244 K250P126-L248 HydrophobicContact CB-CD2 3.82Å; P126-L248 HydrophobicContact CG-CD2 3.79Å; L214-L248 WeakPolarHBondContact O-CD2 3.22Å; L217-L248 HydrophobicContact CB-CD1 3.81Å; L217-L248 HydrophobicContact CB-CD2 4.05Å; L217-L248 HydrophobicContact CB-CG 4.4Å; L217-L248 HydrophobicContact CD1-CD1 3.88Å; R218-L248 HydrophobicContact CG-CD2 4.43Å; A225-L248 HydrophobicContact CB-CD1 4.4Å; L229-L248 HydrophobicContact CD1-CD1 3.9Å; I243-L248 HydrophobicContact CG2-CD1 4.05Å; I243-L248 HydrophobicContact CG2-CG 4.27Å; I243-L248 PolarHBondContact O-N 2.81Å; C244-L248 CarbonylContact O-C 3.31Å; C244-L248 WeakPolarHBondContact O-CA 3.28Å; C244-L248 PolarHBondContact O-N 2.82Å; C244-L248 VanDerWaalsContact O-N 3.13Å; L248-K250 VanDerWaalsContact C-N 3.28Å; L248-K250 PolarHBondContact O-N 2.72Å; L248-K250 PolarHBondContact O-NZ 3.48Å
249D98.2Very high97.1Very high36 Ų3618 Ų1819%0.19310%0.098CC..  trans6129.6173.3-55.3-49.6000115.5R84 R123 R218 C244 L251R84-D249 IonicContact CZ-OD1 2.76Å; R84-D249 IonicContact NH1-OD1 3.14Å; R84-D249 PolarHBondContact NH1-OD1 2.77Å; R84-D249 IonicContact NH2-OD1 2.69Å; R84-D249 PolarHBondContact NH2-OD1 3.38Å; R123-D249 WeakPolarHBondContact CD-OD1 3.45Å; R123-D249 WeakPolarHBondContact CG-OD1 2.99Å; R123-D249 IonicContact CZ-OD1 3.52Å; R123-D249 IonicContact CZ-OD2 2.87Å; R123-D249 VanDerWaalsContact NE-CG 3.25Å; R123-D249 IonicContact NE-OD1 3.66Å; R123-D249 PolarHBondContact NE-OD1 2.83Å; R123-D249 IonicContact NE-OD2 3.66Å; R123-D249 PolarHBondContact NE-OD2 3.14Å; R123-D249 IonicContact NH2-OD1 3.38Å; R123-D249 IonicContact NH2-OD2 3.34Å; R123-D249 PolarHBondContact NH2-OD2 3.23Å; R218-D249 VanDerWaalsContact CD-OD2 3.32Å; R218-D249 WeakPolarHBondContact CD-OD2 3.43Å; R218-D249 WeakPolarHBondContact CG-OD2 3.44Å; R218-D249 IonicContact NE-OD2 3.34Å; C244-D249 PolarHBondContact O-N 2.89Å; D249-L251 PolarHBondContact O-N 3.42Å
250K98.6Very high97Very high13 Ų1317.5 Ų17.56%0.05710%0.095CC..  trans-94.574.3172.9-48.4-57.4179.8-105.90109.7L217 R218 V220 H222 C244 L245 L248 D252 V253L217-K250 PolarHBondContact O-NZ 3.43Å; R218-K250 PolarHBondContact O-NZ 2.78Å; V220-K250 WeakPolarHBondContact O-CE 3.37Å; V220-K250 PolarHBondContact O-NZ 3.02Å; H222-K250 HydrophobicContact CB-CB 4.41Å; H222-K250 HydrophobicContact CB-CD 4.18Å; H222-K250 HydrophobicContact CB-CG 4.27Å; C244-K250 HydrophobicContact CB-CB 3.95Å; C244-K250 HydrophobicContact CB-CG 3.86Å; C244-K250 PolarHBondContact O-N 2.83Å; L245-K250 WeakPolarHBondContact CD1-O 3.4Å; L248-K250 VanDerWaalsContact C-N 3.28Å; L248-K250 PolarHBondContact O-N 2.72Å; L248-K250 PolarHBondContact O-NZ 3.48Å; K250-D252 PolarHBondContact O-N 2.83Å; K250-V253 HydrophobicContact CB-CB 4.31Å; K250-V253 HydrophobicContact CB-CG2 3.47Å; K250-V253 VanDerWaalsContact CB-CG2 3.47Å; K250-V253 WeakPolarHBondContact O-CB 3.25Å; K250-V253 PolarHBondContact O-N 3.19Å
251L98.4Very high96.7Very high24 Ų2418.2 Ų18.213%0.12610%0.099CC..THydrogen-bonded Turntrans-73.8-14.2-168.7-51-179.1000113.8R84 M87 L121 D249 N295 Y296 S297 G298R84-L251 VanDerWaalsContact CZ-CD2 3.5Å; M87-L251 HydrophobicContact CE-CD1 4.29Å; M87-L251 HydrophobicContact SD-CD1 4.16Å; L121-L251 HydrophobicContact CD2-CD2 3.69Å; D249-L251 PolarHBondContact O-N 3.42Å; L251-N295 CarbonylContact C-O 3.57Å; L251-N295 VanDerWaalsContact C-O 3.31Å; L251-Y296 HydrophobicContact CB-CD1 3.91Å; L251-Y296 HydrophobicContact CB-CE1 4.4Å; L251-Y296 HydrophobicContact CD1-CD1 3.76Å; L251-Y296 HydrophobicContact CD1-CE1 3.53Å; L251-Y296 HydrophobicContact CG-CD1 4.48Å; L251-Y296 CarbonylContact O-C 3.59Å; L251-Y296 VanDerWaalsContact O-C 3.3Å; L251-Y296 WeakPolarHBondContact O-CA 3.22Å; L251-S297 PolarHBondContact O-N 2.81Å; L251-G298 WeakPolarHBondContact O-CA 3.44Å; L251-G298 PolarHBondContact O-N 3.42Å
252D98.2Very high96.3Very high69 Ų6925.5 Ų25.537%0.36913%0.126SC..THydrogen-bonded Turntrans-89.81.3175.762.9-26.2000112.9K250 S290 N295 S297K250-D252 PolarHBondContact O-N 2.83Å; D252-S290 VanDerWaalsContact O-CB 3.25Å; D252-S290 WeakPolarHBondContact O-CB 3.43Å; D252-S290 PolarHBondContact O-OG 3.17Å; D252-N295 PolarHBondContact N-O 3.48Å; D252-S297 WeakPolarHBondContact CA-OG 3.18Å; D252-S297 PolarHBondContact O-OG 3.1Å
253V98.2Very high96.1Very high4 Ų425.4 Ų25.42%0.02413%0.125CC..  trans-88.9133-179176.60000110.7H222 D241 K250 P255 G298H222-V253 HydrophobicContact CB-CG2 4.04Å; H222-V253 WeakPolarHBondContact CD2-CG2 3.26Å; H222-V253 VanDerWaalsContact CG-CG2 3.48Å; D241-V253 HydrophobicContact CB-CG1 3.52Å; K250-V253 HydrophobicContact CB-CB 4.31Å; K250-V253 HydrophobicContact CB-CG2 3.47Å; K250-V253 VanDerWaalsContact CB-CG2 3.47Å; K250-V253 WeakPolarHBondContact O-CB 3.25Å; K250-V253 PolarHBondContact O-N 3.19Å; V253-P255 WeakPolarHBondContact O-CD 3.43Å; V253-G298 WeakPolarHBondContact O-CA 3.28Å
254V98.3Very high95.9Very high0 Ų025.4 Ų25.40%013%0.125CC..  trans-114.798177.5-178.80000109.6I256 S286 L289 W293 Q301V254-I256 HydrophobicContact CB-CD1 4.47Å; V254-I256 HydrophobicContact CG1-CD1 3.69Å; V254-I256 WeakPolarHBondContact O-CD1 3.08Å; V254-I256 PolarHBondContact O-N 3.33Å; V254-S286 WeakPolarHBondContact O-CB 3.35Å; V254-S286 PolarHBondContact O-OG 2.67Å; V254-L289 HydrophobicContact CB-CB 4.28Å; V254-L289 HydrophobicContact CG1-CB 3.84Å; V254-L289 HydrophobicContact CG1-CD1 3.83Å; V254-L289 HydrophobicContact CG2-CB 4.16Å; V254-W293 HydrophobicContact CG1-CZ3 4.22Å; V254-W293 HydrophobicContact CG2-CE3 4.34Å; V254-W293 HydrophobicContact CG2-CZ3 4.43Å; V254-Q301 HydrophobicContact CB-CG 4.46Å; V254-Q301 HydrophobicContact CG1-CB 3.93Å; V254-Q301 HydrophobicContact CG1-CG 3.59Å; V254-Q301 HydrophobicContact CG2-CB 4.46Å
255P97.9Very high95.6Very high2 Ų230.1 Ų30.11%0.01314%0.143CC..  trans-64.8130175.6-1829.4000111.4D241 L245 V253D241-P255 HydrophobicContact CB-CB 3.98Å; D241-P255 HydrophobicContact CB-CG 3.97Å; L245-P255 HydrophobicContact CB-CG 4.47Å; L245-P255 HydrophobicContact CD2-CG 3.98Å; V253-P255 WeakPolarHBondContact O-CD 3.43Å
256I95.4Very high95.3Very high4 Ų434.7 Ų34.72%0.02116%0.164CC..  trans-103.8112.8-177.3-48.7-57.5000111.7K238 V254 M260 H261 M277 Y282 I285 L289K238-I256 VanDerWaalsContact CG-O 3.28Å; K238-I256 WeakPolarHBondContact CG-O 3.2Å; V254-I256 HydrophobicContact CB-CD1 4.47Å; V254-I256 HydrophobicContact CG1-CD1 3.69Å; V254-I256 WeakPolarHBondContact O-CD1 3.08Å; V254-I256 PolarHBondContact O-N 3.33Å; I256-M260 HydrophobicContact CD1-CB 4.16Å; I256-M260 HydrophobicContact CG2-CB 4.42Å; I256-H261 HydrophobicContact CG2-CB 4.12Å; I256-M277 HydrophobicContact CB-CE 3.95Å; I256-M277 HydrophobicContact CG2-CE 3.42Å; I256-M277 VanDerWaalsContact CG2-CE 3.42Å; I256-M277 HydrophobicContact CG2-SD 3.8Å; I256-Y282 HydrophobicContact CB-CD2 3.91Å; I256-Y282 HydrophobicContact CB-CE2 3.59Å; I256-Y282 HydrophobicContact CG1-CD2 4.49Å; I256-Y282 HydrophobicContact CG1-CE2 4.17Å; I256-Y282 PolarHBondContact N-OH 3.48Å; I256-Y282 WeakPolarHBondContact O-CE2 3.4Å; I256-I285 HydrophobicContact CD1-CG2 3.78Å; I256-I285 HydrophobicContact CG1-CB 4.43Å; I256-I285 HydrophobicContact CG1-CG2 3.94Å; I256-I285 HydrophobicContact CG2-CG2 4.08Å; I256-L289 HydrophobicContact CD1-CD1 3.85Å
257D91.8Very high95Very high30 Ų3037.7 Ų37.716%0.1618%0.177CC..  trans-115.6-168.6169.580.8-16.1000111.2H259 M260 H261 F305D257-H259 VanDerWaalsContact C-N 3.27Å; D257-H259 PolarHBondContact O-N 2.82Å; D257-H259 WeakPolarHBondContact OD1-CA 3.42Å; D257-H259 WeakPolarHBondContact OD1-CB 3.49Å; D257-H259 PolarHBondContact OD1-N 3.16Å; D257-H259 IonicContact OD2-CD2 3.3Å; D257-M260 PolarHBondContact O-N 3.3Å; D257-M260 PolarHBondContact OD1-N 2.87Å; D257-H261 WeakPolarHBondContact O-CB 3.46Å; D257-H261 PolarHBondContact O-N 2.76Å; D257-F305 WeakPolarHBondContact OD2-CE2 3.33Å
258V89Confident94.7Very high115 Ų11540.5 Ų40.570%0.69721%0.206SC*.Hα-helixtrans-62-32.3179.8-62.70000113.5R262V258-R262 PolarHBondContact O-N 3.5Å
259H90.6Very high94.4Very high57 Ų5741.4 Ų41.426%0.26421%0.21SC..Hα-helixtrans-75.8-46.2178.4-65.8-73.1000110.6D257 H261 R262 V263 F305 R308D257-H259 VanDerWaalsContact C-N 3.27Å; D257-H259 PolarHBondContact O-N 2.82Å; D257-H259 WeakPolarHBondContact OD1-CA 3.42Å; D257-H259 WeakPolarHBondContact OD1-CB 3.49Å; D257-H259 PolarHBondContact OD1-N 3.16Å; D257-H259 IonicContact OD2-CD2 3.3Å; H259-H261 VanDerWaalsContact C-N 3.33Å; H259-H261 PolarHBondContact O-N 2.88Å; H259-R262 WeakPolarHBondContact O-CB 3.48Å; H259-R262 PolarHBondContact O-N 3.17Å; H259-V263 PolarHBondContact O-N 3.19Å; H259-F305 HydrophobicContact CB-CD2 4.17Å; H259-F305 AromaticContact CD2-CE2 3.92Å; H259-R308 HydrophobicContact CB-CB 4.33Å
260M94.3Very high94.1Very high0 Ų044 Ų440%023%0.229CC..Hα-helixtrans-70.2-30.8178.4-65.6-48.2-52.800112.8I256 D257 R262 V263 A264 L289 W293 Q301 F305I256-M260 HydrophobicContact CD1-CB 4.16Å; I256-M260 HydrophobicContact CG2-CB 4.42Å; D257-M260 PolarHBondContact O-N 3.3Å; D257-M260 PolarHBondContact OD1-N 2.87Å; M260-R262 VanDerWaalsContact C-N 3.3Å; M260-R262 PolarHBondContact O-N 3.16Å; M260-V263 HydrophobicContact CE-CB 4.01Å; M260-V263 HydrophobicContact CE-CG1 4.01Å; M260-V263 HydrophobicContact CE-CG2 4.26Å; M260-V263 WeakPolarHBondContact O-CB 3.47Å; M260-V263 PolarHBondContact O-N 3.44Å; M260-V263 HydrophobicContact SD-CG2 4.37Å; M260-A264 WeakPolarHBondContact O-CB 3.27Å; M260-A264 PolarHBondContact O-N 3.19Å; M260-L289 HydrophobicContact CE-CD1 4.16Å; M260-W293 HydrophobicContact CE-CH2 3.92Å; M260-W293 HydrophobicContact CE-CZ3 4.21Å; M260-Q301 HydrophobicContact CE-CB 4.39Å; M260-Q301 HydrophobicContact CE-CG 3.8Å; M260-Q301 HydrophobicContact CG-CG 3.98Å; M260-Q301 VanDerWaalsContact CG-NE2 3.31Å; M260-Q301 HydrophobicContact SD-CG 3.87Å; M260-F305 HydrophobicContact SD-CB 4.12Å
261H92.4Very high93.7Very high15 Ų1546.6 Ų46.67%0.06924%0.242CC..Hα-helixtrans-63.4-37.4171-176-97.3000111.9I256 D257 H259 A264 R265 C274 M277I256-H261 HydrophobicContact CG2-CB 4.12Å; D257-H261 WeakPolarHBondContact O-CB 3.46Å; D257-H261 PolarHBondContact O-N 2.76Å; H259-H261 VanDerWaalsContact C-N 3.33Å; H259-H261 PolarHBondContact O-N 2.88Å; H261-A264 PolarHBondContact O-N 3.06Å; H261-R265 PolarHBondContact O-N 3.16Å; H261-R265 VanDerWaalsContact O-N 3.14Å; H261-C274 PolarHBondContact CE1-O 3.33Å; H261-M277 HydrophobicContact CB-SD 3.93Å; H261-M277 WeakPolarHBondContact CD2-CG 3.46Å; H261-M277 PolarHBondContact CD2-SD 3.47Å; H261-M277 WeakPolarHBondContact NE2-CG 3.44Å
262R91.5Very high93.2Very high153 Ų15345.5 Ų45.558%0.57724%0.236SC*.Hα-helixtrans-66.1-43.4171.9178.8177.8174.9164.23.3111.5V258 H259 M260 A264 R265 E266V258-R262 PolarHBondContact O-N 3.5Å; H259-R262 WeakPolarHBondContact O-CB 3.48Å; H259-R262 PolarHBondContact O-N 3.17Å; M260-R262 VanDerWaalsContact C-N 3.3Å; M260-R262 PolarHBondContact O-N 3.16Å; R262-A264 VanDerWaalsContact C-N 3.32Å; R262-A264 PolarHBondContact O-N 2.9Å; R262-R265 WeakPolarHBondContact O-CB 3.31Å; R262-R265 PolarHBondContact O-N 2.89Å; R262-E266 WeakPolarHBondContact CG-OE1 3.37Å; R262-E266 IonicContact CZ-OE1 3.85Å; R262-E266 IonicContact NE-OE1 3.97Å; R262-E266 PolarHBondContact NE-OE1 3.32Å; R262-E266 IonicContact NH2-OE1 2.93Å; R262-E266 WeakPolarHBondContact O-CG 3.49Å; R262-E266 PolarHBondContact O-N 2.91Å
263V93.1Very high92.5Very high2 Ų245.7 Ų45.71%0.01224%0.242CC..Hα-helixtrans-57.6-46.8174.5172.20000110.5H259 M260 R265 E266 K267 W293 L304 R308H259-V263 PolarHBondContact O-N 3.19Å; M260-V263 HydrophobicContact CE-CB 4.01Å; M260-V263 HydrophobicContact CE-CG1 4.01Å; M260-V263 HydrophobicContact CE-CG2 4.26Å; M260-V263 WeakPolarHBondContact O-CB 3.47Å; M260-V263 PolarHBondContact O-N 3.44Å; M260-V263 HydrophobicContact SD-CG2 4.37Å; V263-R265 VanDerWaalsContact C-N 3.29Å; V263-R265 PolarHBondContact O-N 2.58Å; V263-E266 PolarHBondContact O-N 2.84Å; V263-E266 VanDerWaalsContact O-N 3.07Å; V263-K267 HydrophobicContact CG1-CG 4.32Å; V263-K267 WeakPolarHBondContact O-CG 3.46Å; V263-K267 PolarHBondContact O-N 3.3Å; V263-W293 HydrophobicContact CG1-CH2 4.16Å; V263-W293 HydrophobicContact CG1-CZ2 4.46Å; V263-L304 HydrophobicContact CG1-CD1 4.34Å; V263-R308 HydrophobicContact CG2-CG 4.46Å
264A94.6Very high91.5Very high0 Ų049.1 Ų49.10%027%0.266CS..Hα-helixtrans-56.6-41.7177.700000112.8M260 H261 R262 K267 G268 I269 A272 I285 L289M260-A264 WeakPolarHBondContact O-CB 3.27Å; M260-A264 PolarHBondContact O-N 3.19Å; H261-A264 PolarHBondContact O-N 3.06Å; R262-A264 VanDerWaalsContact C-N 3.32Å; R262-A264 PolarHBondContact O-N 2.9Å; A264-K267 PolarHBondContact O-N 3.45Å; A264-G268 PolarHBondContact O-N 3.04Å; A264-I269 HydrophobicContact CB-CB 4.37Å; A264-I269 HydrophobicContact CB-CD1 3.88Å; A264-I269 WeakPolarHBondContact O-CB 3.48Å; A264-I269 PolarHBondContact O-N 3.34Å; A264-A272 HydrophobicContact CB-CB 3.61Å; A264-I285 HydrophobicContact CB-CG2 3.42Å; A264-I285 VanDerWaalsContact CB-CG2 3.42Å; A264-L289 HydrophobicContact CB-CD1 4.22Å
265R92.7Very high90Very high99 Ų9958.3 Ų58.337%0.37431%0.306SS..Hα-helixtrans-63.6-43.8174.4-174.7-170.8-56.1-108.2-14.8112.2H261 R262 V263 K267 G268 A272 S273 C274H261-R265 PolarHBondContact O-N 3.16Å; H261-R265 VanDerWaalsContact O-N 3.14Å; R262-R265 WeakPolarHBondContact O-CB 3.31Å; R262-R265 PolarHBondContact O-N 2.89Å; V263-R265 VanDerWaalsContact C-N 3.29Å; V263-R265 PolarHBondContact O-N 2.58Å; R265-K267 PolarHBondContact O-N 3.41Å; R265-G268 PolarHBondContact O-N 2.69Å; R265-A272 HydrophobicContact CB-CB 4.2Å; R265-A272 PolarHBondContact NE-O 3.41Å; R265-A272 PolarHBondContact NH2-O 3.01Å; R265-S273 VanDerWaalsContact CZ-O 3.26Å; R265-S273 PolarHBondContact NH1-O 3.16Å; R265-S273 PolarHBondContact NH2-O 3.01Å; R265-S273 VanDerWaalsContact NH2-O 3.17Å; R265-C274 PolarHBondContact NH2-O 3.02Å
266E92.5Very high88.4Confident97 Ų9763.8 Ų63.845%0.45334%0.339SS..Hα-helixtrans-66.4-26177.7-68.2172.5-167.500112.3R262 V263 G268 R308R262-E266 WeakPolarHBondContact CG-OE1 3.37Å; R262-E266 IonicContact CZ-OE1 3.85Å; R262-E266 IonicContact NE-OE1 3.97Å; R262-E266 PolarHBondContact NE-OE1 3.32Å; R262-E266 IonicContact NH2-OE1 2.93Å; R262-E266 WeakPolarHBondContact O-CG 3.49Å; R262-E266 PolarHBondContact O-N 2.91Å; V263-E266 PolarHBondContact O-N 2.84Å; V263-E266 VanDerWaalsContact O-N 3.07Å; E266-G268 VanDerWaalsContact C-N 3.29Å; E266-R308 IonicContact OE1-CZ 2.64Å; E266-R308 IonicContact OE1-NH1 3.69Å; E266-R308 PolarHBondContact OE1-NH1 3.14Å; E266-R308 IonicContact OE1-NH2 3.88Å; E266-R308 IonicContact OE2-CZ 2.75Å; E266-R308 VanDerWaalsContact OE2-CZ 3.3Å; E266-R308 IonicContact OE2-NH1 3.23Å; E266-R308 PolarHBondContact OE2-NH1 3.38Å; E266-R308 VanDerWaalsContact OE2-NH1 3.14Å; E266-R308 IonicContact OE2-NH2 3.7Å; E266-R308 PolarHBondContact OE2-NH2 3.29Å
267K92.8Very high87Confident72 Ų7266.9 Ų66.931%0.31336%0.355SS..THydrogen-bonded Turntrans-81-2.1170.2-63.1-59.1-176.1-160.50114.1D100 V263 A264 R265 L289 F292D100-K267 IonicContact OD1-NZ 2.83Å; D100-K267 PolarHBondContact OD1-NZ 2.94Å; D100-K267 WeakPolarHBondContact OD2-CE 3.32Å; D100-K267 IonicContact OD2-NZ 2.92Å; D100-K267 PolarHBondContact OD2-NZ 3.28Å; V263-K267 HydrophobicContact CG1-CG 4.32Å; V263-K267 WeakPolarHBondContact O-CG 3.46Å; V263-K267 PolarHBondContact O-N 3.3Å; A264-K267 PolarHBondContact O-N 3.45Å; R265-K267 PolarHBondContact O-N 3.41Å; K267-L289 HydrophobicContact CG-CD2 4.29Å; K267-F292 HydrophobicContact CD-CE1 4.25Å
268G92.2Very high85.9Confident58 Ų5868.4 Ų68.460%0.59837%0.371SS*.THydrogen-bonded Turntrans77.620.3178.100000114.9A264 R265 E266 P270A264-G268 PolarHBondContact O-N 3.04Å; R265-G268 PolarHBondContact O-N 2.69Å; E266-G268 VanDerWaalsContact C-N 3.29Å; G268-P270 WeakPolarHBondContact O-CD 3.4Å
269I92.8Very high84.8Confident19 Ų1967.6 Ų67.610%0.09737%0.367CS..  trans-68.7118175.9-63.9171.5000109.2A264 E271 A272 I285 L289A264-I269 HydrophobicContact CB-CB 4.37Å; A264-I269 HydrophobicContact CB-CD1 3.88Å; A264-I269 WeakPolarHBondContact O-CB 3.48Å; A264-I269 PolarHBondContact O-N 3.34Å; I269-E271 VanDerWaalsContact C-N 3.31Å; I269-E271 PolarHBondContact O-N 3.46Å; I269-A272 HydrophobicContact CB-CB 4.37Å; I269-A272 WeakPolarHBondContact O-CB 3.46Å; I269-A272 PolarHBondContact O-N 3.03Å; I269-I285 HydrophobicContact CG2-CG1 4.06Å; I269-L289 HydrophobicContact CD1-CD2 3.62Å; I269-L289 HydrophobicContact CD1-CG 3.69Å
270P90.4Very high83.9Confident91 Ų9173.3 Ų73.359%0.59139%0.391SS*.G310 helixtrans-56.9-39.4-173-27.736000114.2G268 A272 S273G268-P270 WeakPolarHBondContact O-CD 3.4Å; P270-A272 PolarHBondContact O-N 3.36Å; P270-S273 WeakPolarHBondContact O-CB 3.41Å; P270-S273 PolarHBondContact O-N 3.36Å; P270-S273 PolarHBondContact O-OG 3.29Å
271E90.4Very high83.5Confident68 Ų6874 Ų7432%0.31840%0.396SS..G310 helixtrans-69.3-16.2-178.1-68.376.2-170.200113I269 S273 I284 I285I269-E271 VanDerWaalsContact C-N 3.31Å; I269-E271 PolarHBondContact O-N 3.46Å; E271-S273 VanDerWaalsContact C-N 3.34Å; E271-I284 HydrophobicContact CB-CB 4.5Å; E271-I284 HydrophobicContact CB-CG2 4.36Å; E271-I284 HydrophobicContact CG-CB 3.98Å; E271-I284 HydrophobicContact CG-CD1 3.87Å; E271-I284 HydrophobicContact CG-CG2 3.71Å; E271-I285 HydrophobicContact CB-CD1 4.41Å; E271-I285 HydrophobicContact CB-CG1 4Å
272A88.5Confident83.6Confident0 Ų074 Ų740%040%0.395CS..G310 helixtrans-88.70.9174.300000113.2A264 R265 I269 P270 I285A264-A272 HydrophobicContact CB-CB 3.61Å; R265-A272 HydrophobicContact CB-CB 4.2Å; R265-A272 PolarHBondContact NE-O 3.41Å; R265-A272 PolarHBondContact NH2-O 3.01Å; I269-A272 HydrophobicContact CB-CB 4.37Å; I269-A272 WeakPolarHBondContact O-CB 3.46Å; I269-A272 PolarHBondContact O-N 3.03Å; P270-A272 PolarHBondContact O-N 3.36Å; A272-I285 HydrophobicContact CB-CD1 3.86Å; A272-I285 HydrophobicContact CB-CG1 4.2Å
273S83.8Confident83.7Confident73 Ų7370.1 Ų70.151%0.5139%0.386SS..SBendtrans-68.3-39.7-178.962.30000113R265 P270 E271R265-S273 VanDerWaalsContact CZ-O 3.26Å; R265-S273 PolarHBondContact NH1-O 3.16Å; R265-S273 PolarHBondContact NH2-O 3.01Å; R265-S273 VanDerWaalsContact NH2-O 3.17Å; P270-S273 WeakPolarHBondContact O-CB 3.41Å; P270-S273 PolarHBondContact O-N 3.36Å; P270-S273 PolarHBondContact O-OG 3.29Å; E271-S273 VanDerWaalsContact C-N 3.34Å
274C76.3Confident83.7Confident77 Ų7773.3 Ų73.352%0.5240%0.403SS..SBendtrans-65.7145.4175.1-65.20000110.9H261 R265 T276H261-C274 PolarHBondContact CE1-O 3.33Å; R265-C274 PolarHBondContact NH2-O 3.02Å; C274-T276 VanDerWaalsContact C-N 3.31Å
275K66.5Low83.8Confident193 Ų19373.3 Ų73.384%0.83940%0.403SS*.SBendtrans-71-28.2177.9-74.2-175.8179.4177.50112.7
276T65.8Low84Confident116 Ų11669.1 Ų69.171%0.71239%0.388SS*.SBendtrans-102.8133.5-179.4480000110.3C274C274-T276 VanDerWaalsContact C-N 3.31Å
277M66.3Low84.2Confident69 Ų6969.9 Ų69.934%0.3439%0.39SS..PPolyproline II helixtrans-83117.9175.6-72.3-174.867.500110.5I256 H261 Y282 I285I256-M277 HydrophobicContact CB-CE 3.95Å; I256-M277 HydrophobicContact CG2-CE 3.42Å; I256-M277 VanDerWaalsContact CG2-CE 3.42Å; I256-M277 HydrophobicContact CG2-SD 3.8Å; H261-M277 HydrophobicContact CB-SD 3.93Å; H261-M277 WeakPolarHBondContact CD2-CG 3.46Å; H261-M277 PolarHBondContact CD2-SD 3.47Å; H261-M277 WeakPolarHBondContact NE2-CG 3.44Å; M277-Y282 HydrophobicContact CE-CD2 3.6Å; M277-Y282 HydrophobicContact CE-CG 4.2Å; M277-I285 HydrophobicContact CE-CD1 4.48Å
278A67.7Low84.4Confident62 Ų6268.5 Ų68.551%0.51239%0.39SS..PPolyproline II helixtrans-82.5158.6163.700000110K280 S281 Y282A278-K280 VanDerWaalsContact C-N 3.26Å; A278-K280 PolarHBondContact O-N 2.95Å; A278-S281 PolarHBondContact N-OG 3.23Å; A278-S281 PolarHBondContact O-N 3.14Å; A278-S281 PolarHBondContact O-OG 3Å; A278-Y282 PolarHBondContact O-N 2.72Å
279T65.5Low84.7Confident99 Ų9965.8 Ų65.861%0.60736%0.362SS*.Hα-helixtrans-59.9-34.8179.6-51.90000113.3K237 Y282K237-T279 HydrophobicContact CD-CG2 4.13Å; T279-Y282 WeakPolarHBondContact O-CB 3.32Å; T279-Y282 PolarHBondContact O-N 3.33Å
280K71.5Confident84.9Confident177 Ų17765.6 Ų65.677%0.7736%0.362SS*.Hα-helixtrans-70.3-31.3175.3-71-173.1177.7-176.90112.6A278 Y282A278-K280 VanDerWaalsContact C-N 3.26Å; A278-K280 PolarHBondContact O-N 2.95Å; K280-Y282 VanDerWaalsContact C-N 3.33Å
281S86.5Confident85.3Confident15 Ų1566 Ų6611%0.10536%0.359CS..Hα-helixtrans-73.6-27.817767.70000111.9A278 I285A278-S281 PolarHBondContact N-OG 3.23Å; A278-S281 PolarHBondContact O-N 3.14Å; A278-S281 PolarHBondContact O-OG 3Å; S281-I285 WeakPolarHBondContact O-CB 3.15Å; S281-I285 VanDerWaalsContact O-CD1 3.26Å; S281-I285 WeakPolarHBondContact O-CD1 3.49Å; S281-I285 WeakPolarHBondContact O-CG1 3.33Å; S281-I285 PolarHBondContact O-N 3.47Å
282Y93.6Very high85.6Confident14 Ų1466.1 Ų66.16%0.05536%0.359CS..Hα-helixtrans-57-54.5175.1-177.8-80.2000112.5K237 K238 D241 I256 M277 A278 T279 K280 I284 I285 S286K237-Y282 HydrophobicContact CB-CD1 4Å; K237-Y282 HydrophobicContact CB-CE1 3.82Å; K237-Y282 HydrophobicContact CB-CE2 4.46Å; K237-Y282 HydrophobicContact CB-CG 4.45Å; K237-Y282 HydrophobicContact CD-CD1 3.87Å; K237-Y282 HydrophobicContact CD-CE1 4.41Å; K237-Y282 HydrophobicContact CD-CG 4.36Å; K238-Y282 WeakPolarHBondContact CA-OH 3.44Å; K238-Y282 HydrophobicContact CB-CE2 3.93Å; D241-Y282 WeakPolarHBondContact OD2-CE1 3.44Å; D241-Y282 VanDerWaalsContact OD2-CZ 3.27Å; D241-Y282 PolarHBondContact OD2-OH 3.4Å; I256-Y282 HydrophobicContact CB-CD2 3.91Å; I256-Y282 HydrophobicContact CB-CE2 3.59Å; I256-Y282 HydrophobicContact CG1-CD2 4.49Å; I256-Y282 HydrophobicContact CG1-CE2 4.17Å; I256-Y282 PolarHBondContact N-OH 3.48Å; I256-Y282 WeakPolarHBondContact O-CE2 3.4Å; M277-Y282 HydrophobicContact CE-CD2 3.6Å; M277-Y282 HydrophobicContact CE-CG 4.2Å; A278-Y282 PolarHBondContact O-N 2.72Å; T279-Y282 WeakPolarHBondContact O-CB 3.32Å; T279-Y282 PolarHBondContact O-N 3.33Å; K280-Y282 VanDerWaalsContact C-N 3.33Å; Y282-I284 VanDerWaalsContact C-N 3.35Å; Y282-I284 PolarHBondContact O-N 3.46Å; Y282-I285 PolarHBondContact O-N 3.07Å; Y282-S286 WeakPolarHBondContact O-CB 3.2Å; Y282-S286 PolarHBondContact O-N 3.31Å
283D93.6Very high86.1Confident71 Ų7166.1 Ų66.138%0.3836%0.359SS..Hα-helixtrans-65.1-41.4-173.3-60.3-24.1000111.2K237 S286 K287K237-D283 IonicContact NZ-OD1 2.59Å; K237-D283 PolarHBondContact NZ-OD1 3.45Å; K237-D283 IonicContact NZ-OD2 2.81Å; K237-D283 PolarHBondContact NZ-OD2 3.01Å; D283-S286 PolarHBondContact O-N 2.92Å; D283-K287 VanDerWaalsContact O-CB 3.25Å; D283-K287 WeakPolarHBondContact O-CB 3.21Å; D283-K287 PolarHBondContact O-N 3.23Å
284I94.3Very high86.7Confident70 Ų7063.5 Ų63.536%0.35934%0.343SS..Hα-helixtrans-65.2-46.8178.8-61.3167.8000110.1E271 Y282 S286 K287 S288E271-I284 HydrophobicContact CB-CB 4.5Å; E271-I284 HydrophobicContact CB-CG2 4.36Å; E271-I284 HydrophobicContact CG-CB 3.98Å; E271-I284 HydrophobicContact CG-CD1 3.87Å; E271-I284 HydrophobicContact CG-CG2 3.71Å; Y282-I284 VanDerWaalsContact C-N 3.35Å; Y282-I284 PolarHBondContact O-N 3.46Å; I284-S286 PolarHBondContact O-N 3.23Å; I284-K287 PolarHBondContact O-N 3.47Å; I284-S288 WeakPolarHBondContact O-CB 3.27Å; I284-S288 PolarHBondContact O-N 3.33Å; I284-S288 PolarHBondContact O-OG 2.84Å
285I95.8Very high87.7Confident0 Ų065.9 Ų65.90%035%0.35CS..Hα-helixtrans-61.7-46.3178.7-67.5165.9000111.3I256 A264 I269 E271 A272 M277 S281 Y282 S288 L289I256-I285 HydrophobicContact CD1-CG2 3.78Å; I256-I285 HydrophobicContact CG1-CB 4.43Å; I256-I285 HydrophobicContact CG1-CG2 3.94Å; I256-I285 HydrophobicContact CG2-CG2 4.08Å; A264-I285 HydrophobicContact CB-CG2 3.42Å; A264-I285 VanDerWaalsContact CB-CG2 3.42Å; I269-I285 HydrophobicContact CG2-CG1 4.06Å; E271-I285 HydrophobicContact CB-CD1 4.41Å; E271-I285 HydrophobicContact CB-CG1 4Å; A272-I285 HydrophobicContact CB-CD1 3.86Å; A272-I285 HydrophobicContact CB-CG1 4.2Å; M277-I285 HydrophobicContact CE-CD1 4.48Å; S281-I285 WeakPolarHBondContact O-CB 3.15Å; S281-I285 VanDerWaalsContact O-CD1 3.26Å; S281-I285 WeakPolarHBondContact O-CD1 3.49Å; S281-I285 WeakPolarHBondContact O-CG1 3.33Å; S281-I285 PolarHBondContact O-N 3.47Å; Y282-I285 PolarHBondContact O-N 3.07Å; I285-S288 PolarHBondContact O-N 3.14Å; I285-L289 HydrophobicContact CG2-CD1 4.26Å; I285-L289 WeakPolarHBondContact O-CG 3.15Å; I285-L289 PolarHBondContact O-N 3.27Å; I285-L289 VanDerWaalsContact O-N 3.08Å
286S97Very high89.2Confident11 Ų1160.6 Ų60.68%0.07733%0.326CS..Hα-helixtrans-59.2-48.2178.2-173.30000110.9V254 Y282 D283 I284 L289 S290V254-S286 WeakPolarHBondContact O-CB 3.35Å; V254-S286 PolarHBondContact O-OG 2.67Å; Y282-S286 WeakPolarHBondContact O-CB 3.2Å; Y282-S286 PolarHBondContact O-N 3.31Å; D283-S286 PolarHBondContact O-N 2.92Å; I284-S286 PolarHBondContact O-N 3.23Å; S286-L289 PolarHBondContact O-N 3.03Å; S286-S290 WeakPolarHBondContact O-CB 3.3Å; S286-S290 PolarHBondContact O-N 3.01Å
287K96.8Very high90.8Very high112 Ų11255.1 Ų55.149%0.48729%0.292SS..Hα-helixtrans-63.9-44.3178.6-172.763.6169.689.30112.6D283 I284 L289 S290 D291D283-K287 VanDerWaalsContact O-CB 3.25Å; D283-K287 WeakPolarHBondContact O-CB 3.21Å; D283-K287 PolarHBondContact O-N 3.23Å; I284-K287 PolarHBondContact O-N 3.47Å; K287-L289 PolarHBondContact O-N 3.18Å; K287-S290 WeakPolarHBondContact O-CB 3.34Å; K287-S290 PolarHBondContact O-N 3.32Å; K287-D291 IonicContact NZ-OD1 3.9Å; K287-D291 PolarHBondContact NZ-OD1 3.13Å; K287-D291 IonicContact NZ-OD2 2.92Å; K287-D291 PolarHBondContact NZ-OD2 2.76Å; K287-D291 WeakPolarHBondContact O-CB 3Å; K287-D291 PolarHBondContact O-N 3.04Å
288S97.3Very high92.3Very high44 Ų4451.8 Ų51.831%0.30828%0.276SS..Hα-helixtrans-62-41.2179.3-65.50000112.5I284 I285 F292I284-S288 WeakPolarHBondContact O-CB 3.27Å; I284-S288 PolarHBondContact O-N 3.33Å; I284-S288 PolarHBondContact O-OG 2.84Å; I285-S288 PolarHBondContact O-N 3.14Å; S288-F292 VanDerWaalsContact O-CB 3.27Å; S288-F292 WeakPolarHBondContact O-CB 3.45Å; S288-F292 PolarHBondContact O-N 2.89Å
289L97.9Very high93.8Very high1 Ų148.9 Ų48.91%0.00525%0.251CS..Hα-helixtrans-70.6-37174.9-71.6179000112.1V254 I256 M260 A264 K267 I269 I285 S286 K287 F292 W293V254-L289 HydrophobicContact CB-CB 4.28Å; V254-L289 HydrophobicContact CG1-CB 3.84Å; V254-L289 HydrophobicContact CG1-CD1 3.83Å; V254-L289 HydrophobicContact CG2-CB 4.16Å; I256-L289 HydrophobicContact CD1-CD1 3.85Å; M260-L289 HydrophobicContact CE-CD1 4.16Å; A264-L289 HydrophobicContact CB-CD1 4.22Å; K267-L289 HydrophobicContact CG-CD2 4.29Å; I269-L289 HydrophobicContact CD1-CD2 3.62Å; I269-L289 HydrophobicContact CD1-CG 3.69Å; I285-L289 HydrophobicContact CG2-CD1 4.26Å; I285-L289 WeakPolarHBondContact O-CG 3.15Å; I285-L289 PolarHBondContact O-N 3.27Å; I285-L289 VanDerWaalsContact O-N 3.08Å; S286-L289 PolarHBondContact O-N 3.03Å; K287-L289 PolarHBondContact O-N 3.18Å; L289-F292 PolarHBondContact O-N 2.65Å; L289-W293 HydrophobicContact CB-CE3 4.13Å; L289-W293 HydrophobicContact CB-CH2 4.38Å; L289-W293 HydrophobicContact CB-CZ3 3.75Å; L289-W293 HydrophobicContact CD1-CH2 4.26Å; L289-W293 HydrophobicContact CD1-CZ3 4.17Å; L289-W293 HydrophobicContact CD2-CH2 3.73Å; L289-W293 HydrophobicContact CD2-CZ2 4.25Å; L289-W293 HydrophobicContact CD2-CZ3 3.99Å; L289-W293 HydrophobicContact CG-CH2 4.35Å; L289-W293 HydrophobicContact CG-CZ3 4.18Å; L289-W293 PolarHBondContact O-N 3.02Å; L289-W293 VanDerWaalsContact O-N 3.14Å
290S98Very high95.3Very high14 Ų1444.1 Ų44.110%0.09822%0.222CC..Hα-helixtrans-59-50.5173.7178.20000111.2D252 S286 K287 F292 W293 G294 S297D252-S290 VanDerWaalsContact O-CB 3.25Å; D252-S290 WeakPolarHBondContact O-CB 3.43Å; D252-S290 PolarHBondContact O-OG 3.17Å; S286-S290 WeakPolarHBondContact O-CB 3.3Å; S286-S290 PolarHBondContact O-N 3.01Å; K287-S290 WeakPolarHBondContact O-CB 3.34Å; K287-S290 PolarHBondContact O-N 3.32Å; S290-F292 VanDerWaalsContact C-N 3.3Å; S290-F292 PolarHBondContact O-N 3.06Å; S290-W293 PolarHBondContact O-N 2.8Å; S290-G294 WeakPolarHBondContact O-CA 3.42Å; S290-G294 PolarHBondContact O-N 3.26Å; S290-S297 WeakPolarHBondContact CA-OG 3.26Å; S290-S297 PolarHBondContact OG-OG 2.77Å
291D97.9Very high96.5Very high100 Ų10036.3 Ų36.354%0.53519%0.189SC..Hα-helixtrans-63.2-36.5178.1-73-26.6000112.7K287K287-D291 IonicContact NZ-OD1 3.9Å; K287-D291 PolarHBondContact NZ-OD1 3.13Å; K287-D291 IonicContact NZ-OD2 2.92Å; K287-D291 PolarHBondContact NZ-OD2 2.76Å; K287-D291 WeakPolarHBondContact O-CB 3Å; K287-D291 PolarHBondContact O-N 3.04Å
292F97.4Very high97.1Very high71 Ų7135.8 Ų35.831%0.31119%0.185SC..Hα-helixtrans-65.7-43.9179.6-179.6-111.5000112.8K99 D100 K267 S288 L289 S290K99-F292 VanDerWaalsContact CD-O 3.27Å; K99-F292 WeakPolarHBondContact CD-O 3.4Å; K99-F292 WeakPolarHBondContact O-CE2 3.32Å; K99-F292 WeakPolarHBondContact O-CZ 2.93Å; D100-F292 HydrophobicContact CB-CE1 3.73Å; D100-F292 HydrophobicContact CB-CZ 3.91Å; K267-F292 HydrophobicContact CD-CE1 4.25Å; S288-F292 VanDerWaalsContact O-CB 3.27Å; S288-F292 WeakPolarHBondContact O-CB 3.45Å; S288-F292 PolarHBondContact O-N 2.89Å; L289-F292 PolarHBondContact O-N 2.65Å; S290-F292 VanDerWaalsContact C-N 3.3Å; S290-F292 PolarHBondContact O-N 3.06Å
293W97.6Very high97.2Very high0 Ų035.1 Ų35.10%018%0.182CC..Hα-helixtrans-93.3-20.6-178.9-65.7-50.6000114W96 D100 F103 V254 M260 V263 L289 S290 A300 Q301 L304W96-W293 PolarHBondContact NE1-O 2.79Å; D100-W293 PolarHBondContact OD2-NE1 3.18Å; F103-W293 AromaticContact CE2-NE1 3.85Å; V254-W293 HydrophobicContact CG1-CZ3 4.22Å; V254-W293 HydrophobicContact CG2-CE3 4.34Å; V254-W293 HydrophobicContact CG2-CZ3 4.43Å; M260-W293 HydrophobicContact CE-CH2 3.92Å; M260-W293 HydrophobicContact CE-CZ3 4.21Å; V263-W293 HydrophobicContact CG1-CH2 4.16Å; V263-W293 HydrophobicContact CG1-CZ2 4.46Å; L289-W293 HydrophobicContact CB-CE3 4.13Å; L289-W293 HydrophobicContact CB-CH2 4.38Å; L289-W293 HydrophobicContact CB-CZ3 3.75Å; L289-W293 HydrophobicContact CD1-CH2 4.26Å; L289-W293 HydrophobicContact CD1-CZ3 4.17Å; L289-W293 HydrophobicContact CD2-CH2 3.73Å; L289-W293 HydrophobicContact CD2-CZ2 4.25Å; L289-W293 HydrophobicContact CD2-CZ3 3.99Å; L289-W293 HydrophobicContact CG-CH2 4.35Å; L289-W293 HydrophobicContact CG-CZ3 4.18Å; L289-W293 PolarHBondContact O-N 3.02Å; L289-W293 VanDerWaalsContact O-N 3.14Å; S290-W293 PolarHBondContact O-N 2.8Å; W293-A300 HydrophobicContact CB-CB 4.08Å; W293-A300 HydrophobicContact CD2-CB 3.76Å; W293-A300 HydrophobicContact CE3-CB 4.05Å; W293-A300 HydrophobicContact CG-CB 3.76Å; W293-Q301 HydrophobicContact CZ3-CB 4.4Å; W293-L304 HydrophobicContact CH2-CD1 3.48Å; W293-L304 VanDerWaalsContact CH2-CD1 3.48Å; W293-L304 HydrophobicContact CZ2-CD1 3.16Å
294G97.6Very high97.3Very high17 Ų1731.8 Ų31.818%0.17516%0.164CC..  trans90.9-15617700000114.6S290 Y296 S297S290-G294 WeakPolarHBondContact O-CA 3.42Å; S290-G294 PolarHBondContact O-N 3.26Å; G294-Y296 PolarHBondContact O-N 3.11Å; G294-S297 WeakPolarHBondContact O-CB 3.26Å; G294-S297 PolarHBondContact O-N 3.41Å; G294-S297 PolarHBondContact O-OG 2.88Å; G294-S297 VanDerWaalsContact O-OG 3.07Å
295N97.1Very high97.3Very high128 Ų12829.9 Ų29.968%0.68415%0.153SC*.THydrogen-bonded Turntrans-59.6-18.9-169-65.3-17.1000115.4L251 D252L251-N295 CarbonylContact C-O 3.57Å; L251-N295 VanDerWaalsContact C-O 3.31Å; D252-N295 PolarHBondContact N-O 3.48Å
296Y98.2Very high97.2Very high82 Ų8229.9 Ų29.932%0.32215%0.153SC..THydrogen-bonded Turntrans-117.923.7179.4-60.3-76.1000112.3M87 L92 W96 L251 G294 G298 W299 A300M87-Y296 HydrophobicContact CE-CD1 3.32Å; M87-Y296 HydrophobicContact CE-CE1 3.11Å; M87-Y296 HydrophobicContact CE-CG 4.23Å; M87-Y296 HydrophobicContact SD-CE1 4.21Å; L92-Y296 HydrophobicContact CD1-CG 4.21Å; L92-Y296 HydrophobicContact CD2-CD2 3.31Å; L92-Y296 HydrophobicContact CD2-CE2 3.85Å; L92-Y296 HydrophobicContact CD2-CG 3.73Å; W96-Y296 VanDerWaalsContact CZ2-O 3.29Å; W96-Y296 WeakPolarHBondContact CZ2-O 3.44Å; L251-Y296 HydrophobicContact CB-CD1 3.91Å; L251-Y296 HydrophobicContact CB-CE1 4.4Å; L251-Y296 HydrophobicContact CD1-CD1 3.76Å; L251-Y296 HydrophobicContact CD1-CE1 3.53Å; L251-Y296 HydrophobicContact CG-CD1 4.48Å; L251-Y296 CarbonylContact O-C 3.59Å; L251-Y296 VanDerWaalsContact O-C 3.3Å; L251-Y296 WeakPolarHBondContact O-CA 3.22Å; G294-Y296 PolarHBondContact O-N 3.11Å; Y296-G298 PolarHBondContact O-N 3.1Å; Y296-G298 VanDerWaalsContact O-N 3.15Å; Y296-W299 WeakPolarHBondContact O-CB 3.37Å; Y296-W299 PolarHBondContact O-N 2.99Å; Y296-A300 PolarHBondContact O-N 3.06Å
297S98.3Very high97Very high0 Ų029.6 Ų29.60%015%0.151CC..Hα-helixtrans-55.7-28.6-178.755.20000114.2L251 D252 S290 G294 W299 A300 Q301L251-S297 PolarHBondContact O-N 2.81Å; D252-S297 WeakPolarHBondContact CA-OG 3.18Å; D252-S297 PolarHBondContact O-OG 3.1Å; S290-S297 WeakPolarHBondContact CA-OG 3.26Å; S290-S297 PolarHBondContact OG-OG 2.77Å; G294-S297 WeakPolarHBondContact O-CB 3.26Å; G294-S297 PolarHBondContact O-N 3.41Å; G294-S297 PolarHBondContact O-OG 2.88Å; G294-S297 VanDerWaalsContact O-OG 3.07Å; S297-W299 VanDerWaalsContact C-N 3.3Å; S297-W299 PolarHBondContact O-N 3.48Å; S297-A300 WeakPolarHBondContact O-CB 3.42Å; S297-A300 PolarHBondContact O-N 2.87Å; S297-Q301 WeakPolarHBondContact O-CB 3.39Å; S297-Q301 PolarHBondContact O-N 3.37Å
298G98.5Very high96.6Very high0 Ų025.8 Ų25.80%013%0.134CC..Hα-helixtrans-67-29.6173.500000113.6L251 V253 Y296 Q301 T302L251-G298 WeakPolarHBondContact O-CA 3.44Å; L251-G298 PolarHBondContact O-N 3.42Å; V253-G298 WeakPolarHBondContact O-CA 3.28Å; Y296-G298 PolarHBondContact O-N 3.1Å; Y296-G298 VanDerWaalsContact O-N 3.15Å; G298-Q301 WeakPolarHBondContact O-CB 3.49Å; G298-T302 PolarHBondContact O-N 3.32Å; G298-T302 PolarHBondContact O-OG1 2.96Å
299W98.4Very high96.1Very high0 Ų024.4 Ų24.40%012%0.123CC..Hα-helixtrans-72.3-43.5172.3-159.8-38.1000110.6R84 M87 L89 L92 W96 L119 R120 L121 Y296 S297 Q301 T302 I303R84-W299 HydrophobicContact CB-CH2 4.48Å; R84-W299 HydrophobicContact CB-CZ3 4.37Å; M87-W299 HydrophobicContact CB-CH2 4.18Å; M87-W299 HydrophobicContact CB-CZ3 4Å; M87-W299 HydrophobicContact CE-CE3 3.66Å; M87-W299 HydrophobicContact CE-CZ3 3.42Å; M87-W299 VanDerWaalsContact CE-CZ3 3.42Å; M87-W299 HydrophobicContact CG-CZ3 4.41Å; M87-W299 HydrophobicContact SD-CE3 4.31Å; M87-W299 HydrophobicContact SD-CZ3 3.62Å; L89-W299 HydrophobicContact CB-CZ2 4.36Å; L89-W299 HydrophobicContact CD1-CD2 4.42Å; L89-W299 HydrophobicContact CD1-CZ2 3.84Å; L89-W299 HydrophobicContact CD2-CZ2 4.35Å; L89-W299 HydrophobicContact CG-CZ2 4.42Å; L92-W299 HydrophobicContact CD1-CD2 4.29Å; L92-W299 HydrophobicContact CD1-CE3 4.03Å; L92-W299 HydrophobicContact CD1-CZ3 4.42Å; W96-W299 HydrophobicContact CH2-CB 3.68Å; W96-W299 AromaticContact CH2-CD1 3.94Å; W96-W299 AromaticContact CH2-CG 3.81Å; W96-W299 HydrophobicContact CH2-CG 3.81Å; W96-W299 HydrophobicContact CZ2-CB 3.97Å; L119-W299 PolarHBondContact O-NE1 3.17Å; R120-W299 VanDerWaalsContact CA-CZ2 3.47Å; R120-W299 HydrophobicContact CB-CH2 4.4Å; R120-W299 HydrophobicContact CB-CZ2 3.9Å; R120-W299 HydrophobicContact CG-CZ2 4.18Å; L121-W299 HydrophobicContact CB-CB 4.24Å; L121-W299 HydrophobicContact CB-CD2 3.4Å; L121-W299 VanDerWaalsContact CB-CD2 3.4Å; L121-W299 HydrophobicContact CB-CE3 3.53Å; L121-W299 HydrophobicContact CB-CG 3.72Å; L121-W299 HydrophobicContact CB-CH2 4.48Å; L121-W299 HydrophobicContact CB-CZ2 4.41Å; L121-W299 HydrophobicContact CB-CZ3 4.04Å; L121-W299 HydrophobicContact CD2-CB 4.14Å; L121-W299 HydrophobicContact CD2-CD2 4.47Å; L121-W299 HydrophobicContact CD2-CE3 4.2Å; L121-W299 HydrophobicContact CD2-CG 4.48Å; Y296-W299 WeakPolarHBondContact O-CB 3.37Å; Y296-W299 PolarHBondContact O-N 2.99Å; S297-W299 VanDerWaalsContact C-N 3.3Å; S297-W299 PolarHBondContact O-N 3.48Å; W299-Q301 VanDerWaalsContact C-N 3.29Å; W299-Q301 PolarHBondContact O-N 3.26Å; W299-T302 WeakPolarHBondContact O-CB 3.35Å; W299-T302 PolarHBondContact O-N 3Å; W299-T302 VanDerWaalsContact O-N 3.09Å; W299-I303 PolarHBondContact O-N 2.67Å
300A97.9Very high95.6Very high0 Ų024.7 Ų24.70%012%0.124CC..Hα-helixtrans-57.3-43.9172.100000111.8W96 F103 W293 Y296 S297 T302 I303 L304W96-A300 HydrophobicContact CD2-CB 3.81Å; W96-A300 HydrophobicContact CE3-CB 4.19Å; W96-A300 HydrophobicContact CG-CB 4.23Å; W96-A300 HydrophobicContact CH2-CB 4.42Å; W96-A300 HydrophobicContact CZ2-CB 4.03Å; W96-A300 HydrophobicContact CZ3-CB 4.5Å; F103-A300 HydrophobicContact CE2-CB 3.95Å; F103-A300 HydrophobicContact CZ-CB 3.7Å; W293-A300 HydrophobicContact CB-CB 4.08Å; W293-A300 HydrophobicContact CD2-CB 3.76Å; W293-A300 HydrophobicContact CE3-CB 4.05Å; W293-A300 HydrophobicContact CG-CB 3.76Å; Y296-A300 PolarHBondContact O-N 3.06Å; S297-A300 WeakPolarHBondContact O-CB 3.42Å; S297-A300 PolarHBondContact O-N 2.87Å; A300-T302 VanDerWaalsContact C-N 3.32Å; A300-T302 PolarHBondContact O-N 3.12Å; A300-I303 PolarHBondContact O-N 3.45Å; A300-L304 PolarHBondContact O-N 2.82Å
301Q97.8Very high94.9Very high13 Ų1328.5 Ų28.56%0.06114%0.14CC..Hα-helixtrans-56.1-46.1173.4-178-76.6-40.500111.5V254 M260 W293 S297 G298 W299 I303 L304 F305V254-Q301 HydrophobicContact CB-CG 4.46Å; V254-Q301 HydrophobicContact CG1-CB 3.93Å; V254-Q301 HydrophobicContact CG1-CG 3.59Å; V254-Q301 HydrophobicContact CG2-CB 4.46Å; M260-Q301 HydrophobicContact CE-CB 4.39Å; M260-Q301 HydrophobicContact CE-CG 3.8Å; M260-Q301 HydrophobicContact CG-CG 3.98Å; M260-Q301 VanDerWaalsContact CG-NE2 3.31Å; M260-Q301 HydrophobicContact SD-CG 3.87Å; W293-Q301 HydrophobicContact CZ3-CB 4.4Å; S297-Q301 WeakPolarHBondContact O-CB 3.39Å; S297-Q301 PolarHBondContact O-N 3.37Å; G298-Q301 WeakPolarHBondContact O-CB 3.49Å; W299-Q301 VanDerWaalsContact C-N 3.29Å; W299-Q301 PolarHBondContact O-N 3.26Å; Q301-I303 PolarHBondContact O-N 3.31Å; Q301-L304 PolarHBondContact O-N 3.29Å; Q301-F305 WeakPolarHBondContact O-CB 3.42Å; Q301-F305 PolarHBondContact O-N 2.77Å
302T97.8Very high94Very high3 Ų327.3 Ų27.32%0.01814%0.14CC..Hα-helixtrans-62.5-43.9-178.3-60.10000111.4Q27 L119 G298 W299 A300 Y306Q27-T302 VanDerWaalsContact CD-CG2 3.49Å; Q27-T302 HydrophobicContact CG-CG2 3.79Å; L119-T302 HydrophobicContact CD2-CG2 3.54Å; G298-T302 PolarHBondContact O-N 3.32Å; G298-T302 PolarHBondContact O-OG1 2.96Å; W299-T302 WeakPolarHBondContact O-CB 3.35Å; W299-T302 PolarHBondContact O-N 3Å; W299-T302 VanDerWaalsContact O-N 3.09Å; A300-T302 VanDerWaalsContact C-N 3.32Å; A300-T302 PolarHBondContact O-N 3.12Å; T302-Y306 WeakPolarHBondContact O-CB 3.46Å; T302-Y306 PolarHBondContact O-N 2.92Å
303I96.6Very high92.6Very high0 Ų026.2 Ų26.20%014%0.135CC..Hα-helixtrans-60.7-53.1176.3-70.4168.9000110.4L89 W96 W102 F103 F107 A116 L119 W299 A300 Q301 F305 Y306 T307L89-I303 HydrophobicContact CD1-CD1 4.37Å; W96-I303 HydrophobicContact CE3-CD1 4.48Å; W96-I303 HydrophobicContact CH2-CD1 4.41Å; W96-I303 HydrophobicContact CZ3-CD1 3.69Å; W102-I303 HydrophobicContact CH2-CG2 4.13Å; W102-I303 HydrophobicContact CZ3-CG2 4.1Å; F103-I303 HydrophobicContact CE1-CB 4.25Å; F103-I303 HydrophobicContact CE1-CD1 4.11Å; F103-I303 HydrophobicContact CE1-CG2 3.83Å; F103-I303 HydrophobicContact CZ-CB 4.35Å; F103-I303 HydrophobicContact CZ-CG2 4.23Å; F107-I303 HydrophobicContact CE2-CG2 3.99Å; F107-I303 HydrophobicContact CZ-CG2 3.72Å; A116-I303 HydrophobicContact CB-CG2 3.99Å; L119-I303 HydrophobicContact CB-CG1 4.37Å; L119-I303 HydrophobicContact CD2-CG1 4.31Å; W299-I303 PolarHBondContact O-N 2.67Å; A300-I303 PolarHBondContact O-N 3.45Å; Q301-I303 PolarHBondContact O-N 3.31Å; I303-F305 VanDerWaalsContact C-N 3.35Å; I303-F305 PolarHBondContact O-N 3.36Å; I303-Y306 PolarHBondContact O-N 2.9Å; I303-T307 PolarHBondContact O-N 3.22Å; I303-T307 PolarHBondContact O-OG1 3.46Å
304L94.6Very high90.8Very high1 Ų130.1 Ų30.11%0.00516%0.161CC..Hα-helixtrans-59.8-44.3-179.9-90.1161.1000112.2W102 F103 V263 W293 A300 Q301 T307 R308W102-L304 HydrophobicContact CD2-CD2 3.47Å; W102-L304 VanDerWaalsContact CD2-CD2 3.47Å; W102-L304 HydrophobicContact CD2-CG 4.35Å; W102-L304 VanDerWaalsContact CE2-CD2 3.46Å; W102-L304 HydrophobicContact CE3-CD2 3.55Å; W102-L304 HydrophobicContact CE3-CG 3.92Å; W102-L304 HydrophobicContact CG-CD2 4.16Å; W102-L304 HydrophobicContact CH2-CD2 3.69Å; W102-L304 HydrophobicContact CH2-CG 3.98Å; W102-L304 HydrophobicContact CZ2-CD2 3.58Å; W102-L304 HydrophobicContact CZ2-CG 4.38Å; W102-L304 HydrophobicContact CZ3-CD2 3.67Å; W102-L304 HydrophobicContact CZ3-CG 3.73Å; F103-L304 HydrophobicContact CE2-CD1 3.77Å; F103-L304 HydrophobicContact CE2-CG 4.2Å; F103-L304 HydrophobicContact CZ-CD1 4.22Å; F103-L304 HydrophobicContact CZ-CG 4.28Å; V263-L304 HydrophobicContact CG1-CD1 4.34Å; W293-L304 HydrophobicContact CH2-CD1 3.48Å; W293-L304 VanDerWaalsContact CH2-CD1 3.48Å; W293-L304 HydrophobicContact CZ2-CD1 3.16Å; A300-L304 PolarHBondContact O-N 2.82Å; Q301-L304 PolarHBondContact O-N 3.29Å; L304-T307 PolarHBondContact O-N 3.19Å; L304-R308 VanDerWaalsContact O-CG 3.31Å; L304-R308 WeakPolarHBondContact O-CG 3.37Å; L304-R308 PolarHBondContact O-N 3.06Å
305F94.5Very high88.6Confident30 Ų3035 Ų3513%0.13218%0.183CC..Hα-helixtrans-58.9-48.7177.5172-106.4000111.7S25 D257 H259 M260 Q301 I303 T307 R308 I309S25-F305 WeakPolarHBondContact O-CE1 3.35Å; D257-F305 WeakPolarHBondContact OD2-CE2 3.33Å; H259-F305 HydrophobicContact CB-CD2 4.17Å; H259-F305 AromaticContact CD2-CE2 3.92Å; M260-F305 HydrophobicContact SD-CB 4.12Å; Q301-F305 WeakPolarHBondContact O-CB 3.42Å; Q301-F305 PolarHBondContact O-N 2.77Å; I303-F305 VanDerWaalsContact C-N 3.35Å; I303-F305 PolarHBondContact O-N 3.36Å; F305-T307 PolarHBondContact O-N 2.83Å; F305-R308 PolarHBondContact O-N 3.33Å; F305-I309 HydrophobicContact CD1-CD1 3.64Å; F305-I309 HydrophobicContact CD2-CD1 4.25Å; F305-I309 HydrophobicContact CE1-CD1 3.14Å; F305-I309 HydrophobicContact CE1-CG1 4.35Å; F305-I309 HydrophobicContact CE2-CD1 3.78Å; F305-I309 HydrophobicContact CE2-CG1 4.22Å; F305-I309 HydrophobicContact CG-CD1 4.19Å; F305-I309 HydrophobicContact CZ-CD1 3.23Å; F305-I309 HydrophobicContact CZ-CG1 4.11Å; F305-I309 WeakPolarHBondContact O-CG1 3.45Å; F305-I309 PolarHBondContact O-N 3.35Å
306Y94Very high86.3Confident1 Ų136.4 Ų36.40%0.00418%0.183CC..Hα-helixtrans-59.7-46.5177.2170.7-105.6000111.8T115 A116 L119 T302 I303 R308 I309 M310T115-Y306 WeakPolarHBondContact O-CE1 3.31Å; A116-Y306 HydrophobicContact CB-CD1 3.78Å; A116-Y306 HydrophobicContact CB-CE1 4.14Å; L119-Y306 HydrophobicContact CD1-CD1 3.57Å; L119-Y306 HydrophobicContact CD1-CD2 4.38Å; L119-Y306 HydrophobicContact CD1-CE1 4.33Å; L119-Y306 HydrophobicContact CD1-CG 3.57Å; T302-Y306 WeakPolarHBondContact O-CB 3.46Å; T302-Y306 PolarHBondContact O-N 2.92Å; I303-Y306 PolarHBondContact O-N 2.9Å; Y306-R308 VanDerWaalsContact C-N 3.3Å; Y306-R308 PolarHBondContact O-N 3.02Å; Y306-I309 WeakPolarHBondContact O-CB 3.28Å; Y306-I309 PolarHBondContact O-N 2.81Å; Y306-I309 VanDerWaalsContact O-N 3.14Å; Y306-M310 HydrophobicContact CD1-CG 4.35Å; Y306-M310 HydrophobicContact CD2-CG 3.96Å; Y306-M310 HydrophobicContact CE1-CG 3.93Å; Y306-M310 HydrophobicContact CE2-CE 4.47Å; Y306-M310 HydrophobicContact CE2-CG 3.54Å; Y306-M310 HydrophobicContact CE2-SD 3.86Å; Y306-M310 HydrophobicContact CG-CG 4.39Å; Y306-M310 WeakPolarHBondContact O-CG 3.15Å; Y306-M310 PolarHBondContact O-N 2.59Å
307T91.9Very high83.9Confident5 Ų538.7 Ų38.73%0.03119%0.194CC..Hα-helixtrans-58.7-42.1177.5-54.20000111.4W102 A116 I303 L304 F305 I309 M310 E311W102-T307 HydrophobicContact CH2-CG2 4.39Å; W102-T307 HydrophobicContact CZ2-CG2 3.82Å; A116-T307 WeakPolarHBondContact CB-OG1 3.39Å; I303-T307 PolarHBondContact O-N 3.22Å; I303-T307 PolarHBondContact O-OG1 3.46Å; L304-T307 PolarHBondContact O-N 3.19Å; F305-T307 PolarHBondContact O-N 2.83Å; T307-I309 PolarHBondContact O-N 2.93Å; T307-M310 PolarHBondContact O-N 2.62Å; T307-E311 HydrophobicContact CG2-CG 4.27Å; T307-E311 WeakPolarHBondContact CG2-OE1 3.44Å; T307-E311 WeakPolarHBondContact O-CB 3.45Å; T307-E311 VanDerWaalsContact O-CG 3.28Å; T307-E311 WeakPolarHBondContact O-CG 3.47Å; T307-E311 PolarHBondContact O-N 2.98Å
308R89.1Confident81.3Confident32 Ų3240.3 Ų40.312%0.12120%0.203CC..Hα-helixtrans-64.3-38176.5-66.2-60.7172.6140.26113.3H259 V263 E266 L304 F305 Y306 S312H259-R308 HydrophobicContact CB-CB 4.33Å; V263-R308 HydrophobicContact CG2-CG 4.46Å; E266-R308 IonicContact OE1-CZ 2.64Å; E266-R308 IonicContact OE1-NH1 3.69Å; E266-R308 PolarHBondContact OE1-NH1 3.14Å; E266-R308 IonicContact OE1-NH2 3.88Å; E266-R308 IonicContact OE2-CZ 2.75Å; E266-R308 VanDerWaalsContact OE2-CZ 3.3Å; E266-R308 IonicContact OE2-NH1 3.23Å; E266-R308 PolarHBondContact OE2-NH1 3.38Å; E266-R308 VanDerWaalsContact OE2-NH1 3.14Å; E266-R308 IonicContact OE2-NH2 3.7Å; E266-R308 PolarHBondContact OE2-NH2 3.29Å; L304-R308 VanDerWaalsContact O-CG 3.31Å; L304-R308 WeakPolarHBondContact O-CG 3.37Å; L304-R308 PolarHBondContact O-N 3.06Å; F305-R308 PolarHBondContact O-N 3.33Å; Y306-R308 VanDerWaalsContact C-N 3.3Å; Y306-R308 PolarHBondContact O-N 3.02Å; R308-S312 WeakPolarHBondContact O-CB 3.37Å; R308-S312 PolarHBondContact O-N 3.06Å; R308-S312 PolarHBondContact O-OG 2.68Å
309I87Confident78.7Confident14 Ų1447.4 Ų47.47%0.07223%0.233CC..Hα-helixtrans-62.6-46.8173.7-70.2161.6000110.1L141 F305 Y306 T307 S312 K313L141-I309 HydrophobicContact CD1-CD1 3.97Å; L141-I309 HydrophobicContact CD1-CG2 4.14Å; F305-I309 HydrophobicContact CD1-CD1 3.64Å; F305-I309 HydrophobicContact CD2-CD1 4.25Å; F305-I309 HydrophobicContact CE1-CD1 3.14Å; F305-I309 HydrophobicContact CE1-CG1 4.35Å; F305-I309 HydrophobicContact CE2-CD1 3.78Å; F305-I309 HydrophobicContact CE2-CG1 4.22Å; F305-I309 HydrophobicContact CG-CD1 4.19Å; F305-I309 HydrophobicContact CZ-CD1 3.23Å; F305-I309 HydrophobicContact CZ-CG1 4.11Å; F305-I309 WeakPolarHBondContact O-CG1 3.45Å; F305-I309 PolarHBondContact O-N 3.35Å; Y306-I309 WeakPolarHBondContact O-CB 3.28Å; Y306-I309 PolarHBondContact O-N 2.81Å; Y306-I309 VanDerWaalsContact O-N 3.14Å; T307-I309 PolarHBondContact O-N 2.93Å; I309-S312 PolarHBondContact O-N 2.93Å; I309-S312 PolarHBondContact O-OG 3.03Å; I309-K313 PolarHBondContact O-N 3Å
310M86.4Confident76.3Confident7 Ų751.3 Ų51.33%0.03425%0.252CS..Hα-helixtrans-65.7-39.7-177.3-66.9-59-84.200112.1F20 Y306 T307 S312 K313 L318F20-M310 HydrophobicContact CE1-CE 4.37Å; Y306-M310 HydrophobicContact CD1-CG 4.35Å; Y306-M310 HydrophobicContact CD2-CG 3.96Å; Y306-M310 HydrophobicContact CE1-CG 3.93Å; Y306-M310 HydrophobicContact CE2-CE 4.47Å; Y306-M310 HydrophobicContact CE2-CG 3.54Å; Y306-M310 HydrophobicContact CE2-SD 3.86Å; Y306-M310 HydrophobicContact CG-CG 4.39Å; Y306-M310 WeakPolarHBondContact O-CG 3.15Å; Y306-M310 PolarHBondContact O-N 2.59Å; T307-M310 PolarHBondContact O-N 2.62Å; M310-S312 VanDerWaalsContact C-N 3.31Å; M310-S312 PolarHBondContact O-N 3.34Å; M310-K313 PolarHBondContact O-N 3.13Å; M310-K313 HydrophobicContact SD-CD 4.1Å; M310-K313 PolarHBondContact SD-NZ 2.89Å; M310-L318 HydrophobicContact CB-CD1 4.44Å; M310-L318 HydrophobicContact CE-CD1 3.26Å; M310-L318 HydrophobicContact SD-CD1 4.32Å
311E84.6Confident74.2Confident94 Ų9454 Ų5444%0.43927%0.265SS..Hα-helixtrans-67.2-28.6173.8-71172.2171.100113.1R106 T307 K313R106-E311 IonicContact CZ-OE1 2.82Å; R106-E311 IonicContact NH2-OE1 2.69Å; R106-E311 PolarHBondContact NH2-OE1 3.22Å; T307-E311 HydrophobicContact CG2-CG 4.27Å; T307-E311 WeakPolarHBondContact CG2-OE1 3.44Å; T307-E311 WeakPolarHBondContact O-CB 3.45Å; T307-E311 VanDerWaalsContact O-CG 3.28Å; T307-E311 WeakPolarHBondContact O-CG 3.47Å; T307-E311 PolarHBondContact O-N 2.98Å; E311-K313 VanDerWaalsContact C-N 3.34Å
312S77.7Confident71.6Confident76 Ų7656.1 Ų56.153%0.53128%0.275SS..Hα-helixtrans-78.1-16.117876.10000114.2R308 I309 M310R308-S312 WeakPolarHBondContact O-CB 3.37Å; R308-S312 PolarHBondContact O-N 3.06Å; R308-S312 PolarHBondContact O-OG 2.68Å; I309-S312 PolarHBondContact O-N 2.93Å; I309-S312 PolarHBondContact O-OG 3.03Å; M310-S312 VanDerWaalsContact C-N 3.31Å; M310-S312 PolarHBondContact O-N 3.34Å
313K69.9Low69Low47 Ų4758.7 Ų58.720%0.20429%0.293CS..SBendtrans-75.1136.2178.2-73.5173.7-177.6169.30109.4I309 M310 E311 N315I309-K313 PolarHBondContact O-N 3Å; M310-K313 PolarHBondContact O-N 3.13Å; M310-K313 HydrophobicContact SD-CD 4.1Å; M310-K313 PolarHBondContact SD-NZ 2.89Å; E311-K313 VanDerWaalsContact C-N 3.34Å; K313-N315 PolarHBondContact O-N 3.3Å
314P58.8Low66.4Low83 Ų8367.2 Ų67.254%0.53933%0.326SS..  trans-57.8136.1173.821.1-29.9000110.1K316 K317 L318P314-K316 PolarHBondContact O-N 3.41Å; P314-K317 HydrophobicContact CG-CB 4.48Å; P314-K317 HydrophobicContact CG-CD 4.21Å; P314-K317 HydrophobicContact CG-CG 4.36Å; P314-K317 PolarHBondContact O-N 3.34Å; P314-L318 PolarHBondContact O-N 3.18Å
315N51.3Low64Low120 Ų12070.7 Ų70.764%0.64234%0.341SS*.Hα-helixtrans-44.5-32.7-174-93.7-27.2000114.6K313 K319K313-N315 PolarHBondContact O-N 3.3Å; N315-K319 WeakPolarHBondContact O-CB 3.4Å; N315-K319 VanDerWaalsContact O-CG 3.31Å; N315-K319 WeakPolarHBondContact O-CG 3.32Å; N315-K319 PolarHBondContact O-N 2.86Å
316K48.5Very low60.9Low157 Ų15777.2 Ų77.268%0.68337%0.365SS*.Hα-helixtrans-65.8-41.9177.4-164.8176.7179179.40113.1P314 K319 E320P314-K316 PolarHBondContact O-N 3.41Å; K316-K319 PolarHBondContact O-N 2.94Å; K316-E320 WeakPolarHBondContact CE-OE1 3.39Å; K316-E320 WeakPolarHBondContact O-CB 3.36Å; K316-E320 VanDerWaalsContact O-CG 3.26Å; K316-E320 WeakPolarHBondContact O-CG 3.02Å; K316-E320 PolarHBondContact O-N 3.49Å
317K48.1Very low57.8Low129 Ų12982 Ų8256%0.56139%0.394SS*.Hα-helixtrans-72.7-35.1177.6-75.6-174.5177.3177.40112.5P314 Q321P314-K317 HydrophobicContact CG-CB 4.48Å; P314-K317 HydrophobicContact CG-CD 4.21Å; P314-K317 HydrophobicContact CG-CG 4.36Å; P314-K317 PolarHBondContact O-N 3.34Å; K317-Q321 WeakPolarHBondContact O-CB 3.31Å; K317-Q321 WeakPolarHBondContact O-CG 3.32Å; K317-Q321 PolarHBondContact O-N 2.96Å
318L44.2Very low54.9Low34 Ų3488.8 Ų88.818%0.17843%0.43CS..Hα-helixtrans-64.5-47173.2-178.862.4000110.2M310 P314 Q321 I322M310-L318 HydrophobicContact CB-CD1 4.44Å; M310-L318 HydrophobicContact CE-CD1 3.26Å; M310-L318 HydrophobicContact SD-CD1 4.32Å; P314-L318 PolarHBondContact O-N 3.18Å; L318-Q321 PolarHBondContact O-N 3.1Å; L318-I322 HydrophobicContact CD1-CD1 3.76Å; L318-I322 HydrophobicContact CD1-CG1 4.27Å; L318-I322 HydrophobicContact CG-CD1 3.76Å; L318-I322 WeakPolarHBondContact O-CB 3.18Å; L318-I322 VanDerWaalsContact O-CG1 3.26Å; L318-I322 WeakPolarHBondContact O-CG1 3.15Å; L318-I322 PolarHBondContact O-N 2.85Å
319K43Very low52.2Low149 Ų14996.3 Ų96.365%0.64849%0.488SS*.Hα-helixtrans-61.2-44.2173.9-77.8-179.7178.3-173.80112.4N315 K316 Q321 I322 S323N315-K319 WeakPolarHBondContact O-CB 3.4Å; N315-K319 VanDerWaalsContact O-CG 3.31Å; N315-K319 WeakPolarHBondContact O-CG 3.32Å; N315-K319 PolarHBondContact O-N 2.86Å; K316-K319 PolarHBondContact O-N 2.94Å; K319-Q321 VanDerWaalsContact C-N 3.34Å; K319-Q321 PolarHBondContact O-N 3.05Å; K319-I322 PolarHBondContact O-N 2.87Å; K319-S323 WeakPolarHBondContact O-CA 3.36Å; K319-S323 WeakPolarHBondContact O-CB 3.26Å; K319-S323 PolarHBondContact O-N 2.85Å; K319-S323 PolarHBondContact O-OG 3.1Å
320E49.4Very low50.4Low82 Ų82100.5 Ų100.538%0.38351%0.508SS..Hα-helixtrans-64.7-35.5177.1-76.9167.3-171.300112.7K316 S323 R324K316-E320 WeakPolarHBondContact CE-OE1 3.39Å; K316-E320 WeakPolarHBondContact O-CB 3.36Å; K316-E320 VanDerWaalsContact O-CG 3.26Å; K316-E320 WeakPolarHBondContact O-CG 3.02Å; K316-E320 PolarHBondContact O-N 3.49Å; E320-S323 WeakPolarHBondContact CA-OG 3.29Å; E320-S323 PolarHBondContact O-OG 3.33Å; E320-R324 WeakPolarHBondContact O-CB 3.28Å; E320-R324 WeakPolarHBondContact O-CD 3.33Å; E320-R324 WeakPolarHBondContact O-CG 3.47Å; E320-R324 PolarHBondContact O-N 3.06Å; E320-R324 VanDerWaalsContact O-N 3.11Å
321Q52Low48.5Very low58 Ų58105.4 Ų105.427%0.27153%0.533SS..Hα-helixtrans-70.7-47.4174-76.8-173.6-35.300111.1K317 L318 K319 R324 F325K317-Q321 WeakPolarHBondContact O-CB 3.31Å; K317-Q321 WeakPolarHBondContact O-CG 3.32Å; K317-Q321 PolarHBondContact O-N 2.96Å; L318-Q321 PolarHBondContact O-N 3.1Å; K319-Q321 VanDerWaalsContact C-N 3.34Å; K319-Q321 PolarHBondContact O-N 3.05Å; Q321-R324 PolarHBondContact O-N 3.35Å; Q321-F325 WeakPolarHBondContact O-CD2 3.37Å; Q321-F325 VanDerWaalsContact O-CE2 3.28Å; Q321-F325 WeakPolarHBondContact O-CE2 3.31Å
322I44.4Very low46.5Very low56 Ų56106 Ų10629%0.28754%0.539SS..Hα-helixtrans-66-38.4177.1-65.7170.6000111.4T115 L318 K319 F325 R326T115-I322 HydrophobicContact CG2-CD1 4.4Å; L318-I322 HydrophobicContact CD1-CD1 3.76Å; L318-I322 HydrophobicContact CD1-CG1 4.27Å; L318-I322 HydrophobicContact CG-CD1 3.76Å; L318-I322 WeakPolarHBondContact O-CB 3.18Å; L318-I322 VanDerWaalsContact O-CG1 3.26Å; L318-I322 WeakPolarHBondContact O-CG1 3.15Å; L318-I322 PolarHBondContact O-N 2.85Å; K319-I322 PolarHBondContact O-N 2.87Å; I322-F325 PolarHBondContact O-N 3.02Å; I322-R326 PolarHBondContact O-N 3.07Å
323S42.3Very low44.7Very low57 Ų57107.8 Ų107.840%0.39954%0.539SS..Hα-helixtrans-74.1-27-178.472.50000112.5K319 E320 F325 R326 V327K319-S323 WeakPolarHBondContact O-CA 3.36Å; K319-S323 WeakPolarHBondContact O-CB 3.26Å; K319-S323 PolarHBondContact O-N 2.85Å; K319-S323 PolarHBondContact O-OG 3.1Å; E320-S323 WeakPolarHBondContact CA-OG 3.29Å; E320-S323 PolarHBondContact O-OG 3.33Å; S323-F325 PolarHBondContact O-N 2.69Å; S323-R326 CarbonylContact O-C 3.22Å; S323-R326 PolarHBondContact O-N 3.03Å; S323-V327 VanDerWaalsContact O-CG2 3.32Å; S323-V327 WeakPolarHBondContact O-CG2 3.31Å
324R43.7Very low43.1Very low180 Ų180111.6 Ų111.668%0.67956%0.56SS**THydrogen-bonded Turntrans-61.4-22.7169.5-81.7171.2-172.6-163.11.4112.7E320 Q321E320-R324 WeakPolarHBondContact O-CB 3.28Å; E320-R324 WeakPolarHBondContact O-CD 3.33Å; E320-R324 WeakPolarHBondContact O-CG 3.47Å; E320-R324 PolarHBondContact O-N 3.06Å; E320-R324 VanDerWaalsContact O-N 3.11Å; Q321-R324 PolarHBondContact O-N 3.35Å
325F43Very low42.1Very low73 Ų73113.5 Ų113.532%0.3256%0.561SS.*THydrogen-bonded Turntrans-97.2-10.5172.9-60.5-78.1000113.3F20 F33 W40 Q321 I322 S323F20-F325 AromaticContact CD2-CD2 3.96Å; F20-F325 HydrophobicContact CD2-CD2 3.96Å; F20-F325 AromaticContact CD2-CE1 3.96Å; F20-F325 HydrophobicContact CD2-CE1 3.96Å; F20-F325 AromaticContact CD2-CE2 3.26Å; F20-F325 HydrophobicContact CD2-CE2 3.26Å; F20-F325 AromaticContact CD2-CZ 3.25Å; F20-F325 HydrophobicContact CD2-CZ 3.25Å; F20-F325 AromaticContact CE2-CD2 3.96Å; F20-F325 HydrophobicContact CE2-CD2 3.96Å; F20-F325 HydrophobicContact CE2-CE1 4.44Å; F20-F325 AromaticContact CE2-CE2 3.03Å; F20-F325 HydrophobicContact CE2-CE2 3.03Å; F20-F325 AromaticContact CE2-CZ 3.34Å; F20-F325 HydrophobicContact CE2-CZ 3.34Å; F20-F325 HydrophobicContact CG-CE2 4.24Å; F20-F325 HydrophobicContact CG-CZ 4.4Å; F20-F325 AromaticContact CZ-CE2 3.84Å; F20-F325 HydrophobicContact CZ-CE2 3.84Å; F33-F325 HydrophobicContact CD2-CE1 4.44Å; F33-F325 HydrophobicContact CE1-CE1 4.35Å; F33-F325 AromaticContact CE2-CE1 3.97Å; F33-F325 HydrophobicContact CE2-CE1 3.97Å; F33-F325 AromaticContact CZ-CE1 3.91Å; F33-F325 HydrophobicContact CZ-CE1 3.91Å; W40-F325 HydrophobicContact CZ2-CE1 4.4Å; W40-F325 HydrophobicContact CZ2-CZ 4.04Å; Q321-F325 WeakPolarHBondContact O-CD2 3.37Å; Q321-F325 VanDerWaalsContact O-CE2 3.28Å; Q321-F325 WeakPolarHBondContact O-CE2 3.31Å; I322-F325 PolarHBondContact O-N 3.02Å; S323-F325 PolarHBondContact O-N 2.69Å
326R29.8Very low41.4Very low168 Ų168113 Ų11363%0.63456%0.556SS**  trans-108.762.9170.5-65.7-175.6179.4-172.2-4.8109.5I322 S323I322-R326 PolarHBondContact O-N 3.07Å; S323-R326 CarbonylContact O-C 3.22Å; S323-R326 PolarHBondContact O-N 3.03Å
327V29.2Very low40.9Very low102 Ų102109.6 Ų109.662%0.61855%0.546SS*.  trans-112.1103.6166-176.30000108.7S323S323-V327 VanDerWaalsContact O-CG2 3.32Å; S323-V327 WeakPolarHBondContact O-CG2 3.31Å
328N31Very low40.3Very low146 Ų146108 Ų10878%0.78154%0.544SS*.  trans75.495159.2-56.5-12.9000118.6
329S31.2Very low39.9Very low191 Ų191114.7 Ų114.7100%1.33658%0.578SS**  -59.60129.958.30000111.2

Retrieved 329 of 329 residues in 353.9 ms (Link to these results)

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